smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1Cl	7384503	HOLYGIYPXNSCDE-UHFFFAOYSA-N	416.912	1.565	50	40	HDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1	409266063	JLTVLATUGDKIQF-LBBJYAOWSA-N	419.219	1.370	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccc(C)o3)nnn2-c2nonc2N)c1	13804579	GAMLSOROXNRSAZ-AWQFTUOYSA-N	408.378	1.573	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	408527931	AJNOPIJYXJJGFO-RSFOSLOZSA-N	421.413	1.568	50	40	HDGB	
C[C@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)NN	1785350	PCAGLDQPELMYOE-JTQLQIEISA-N	402.476	1.735	50	40	HDGB	
Cn1/c(=N/NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)sc2ccccc21	14359958	LYPNWZBRRKSYHA-KXPYNAFFSA-N	424.482	1.996	50	40	HDGB	
COc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)C(C)C)cc1	21199427	BYLAMFYGCUKFRX-SFHVURJKSA-N	423.473	1.867	50	40	HDGB	
COc1cccc(C(=O)N/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1	408753528	JJFWMNNHDMVYFG-NBZOHKLQSA-N	410.455	1.783	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)CC1	20211551	DAOCQSLRXZIQEK-UHFFFAOYSA-N	407.323	1.957	50	40	HDGB	
Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/C1CCCCC1	25761023	GFTXEZGXMGVZEY-RGVLZGJSSA-N	401.475	1.514	50	40	HDGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)C(=O)NCc1cccnc1	408788078	AURFFEODHBSWCS-MRCZTLKWSA-N	420.469	1.979	50	40	HDGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@@H]2C1	4452930	JIXQAZVNBFSOSA-CTNGQTDRSA-N	416.485	1.684	50	40	HDGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21	5014772	YZPPLYCNUNEVAM-FYXHJSOBSA-N	410.474	1.606	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c(OC)c1	408772377	LBVWPCWWAPYYKX-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3)C2=O)c1	6858444	MUIWCWWLCXCOCP-KAMYIIQDSA-N	410.386	1.945	50	40	HDGB	
COc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1	8417442	WLDXEPIGJOJCOM-UHFFFAOYSA-N	413.430	1.808	50	40	HDGB	
COc1ccccc1N/C=C1/C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C	103516781	DUYFXLRYCSZJSB-LERPTODRSA-N	401.444	1.387	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1)c1cc(-c2ccccc2)n[nH]1	12535275	JOGMXMYXCLIUGG-HNNXBMFYSA-N	407.430	1.983	50	40	HDGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)c1C	13100588	PTMUQNLKTDJCLJ-NDCSFFLDSA-N	407.492	1.268	50	40	HDGB	
C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1cccc(Br)c1	25763828	JAYINVXKGXWCGU-REZTVBANSA-N	405.216	1.457	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	59959676	GTAZSLQDBCAKAS-GCMSVZMUSA-N	408.458	1.695	50	40	HDGB	
C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1ccccc1-n1cccc1)C2=O	9883414	XAEFNWQFGRGQCY-NYHFZMIOSA-N	423.473	1.739	50	40	HDGB	
C[C@]12S/C(=N\[C@@H]3CCS(=O)(=O)C3)S[C@@H]1CS(=O)(=O)[C@@H]2Br	16605604	QVZDWBIUSADKMV-YSMLEYJHSA-N	420.397	1.286	50	40	HDGB	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc(OC)c1OC	5720155	MRNDWWRYSRDDCZ-YBFXNURJSA-N	407.448	1.141	50	40	HDGB	
O=C(COc1ccc(Br)cc1)NC(=S)NNC(=O)c1ccncc1	6883394	VXXKRXLOHZOPBT-UHFFFAOYSA-N	409.265	1.559	50	40	HDGB	
CCOc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	27194202	YYEXHZKHLAQOOF-ZXMBATIKSA-N	400.456	1.865	50	40	HDGB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2cccnc2)c(C)c1	28271156	RLHFYBPVLMRYQS-QGZVFWFLSA-N	416.503	1.621	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC	33608493	DTPHZXVUIZPFPR-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c(OC)c1OC	4851044	GIHLEWVHRRQHJX-INIZCTEOSA-N	413.430	1.393	50	40	HDGB	
O=C(Cc1ccccc1)NNC(=O)CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O	16595503	GEKAQJFJPNBNDN-QFIPXVFZSA-N	406.442	1.160	50	40	HDGB	
COc1ccc(CNC(=O)CCC(=O)NNC(=O)Cn2ccc3ccccc32)cc1	199413526	GYHGWKFVQWCMMN-UHFFFAOYSA-N	408.458	1.894	50	40	HDGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	33779070	CGPZBFHXGXHRDK-LGMDPLHJSA-N	423.425	1.723	50	40	HDGB	
Cc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3498742	KFSGWTMASCDHFB-UHFFFAOYSA-N	413.419	1.432	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(=O)O	8991558	IJDDQFZJMUAWJQ-ZENNRRHLSA-N	415.427	1.077	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2cccc(Br)c2)nnn1-c1nonc1N	9499922	JLGNWUZLAJRJTJ-QGMBQPNBSA-N	419.243	1.711	50	40	HDGB	
CCCCN(C)C(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	9614178	IZMLEQBTRIRQRV-INIZCTEOSA-N	410.540	1.868	50	40	HDGB	
O=C(NNC(=S)NC1CCCCC1)c1cccc(S(=O)(=O)NCC2CC2)c1	40071843	KVGOXHKIHUIKLX-UHFFFAOYSA-N	410.565	1.817	50	40	HDGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1C[C@@H]1CCCO1)[C@@H](Br)[C@@H]3Br	169293878	ASXVCDWGBDBHTH-UWEPNDTESA-N	407.102	1.943	50	40	HDGB	
Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@@H](O)CCl)n2CCCc1ccccc1	842287	LQOLEKMXIGUWOA-ZDUSSCGKSA-N	408.911	1.748	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)ccc1OCC(N)=O	4019814	NFLGHYKMFXKCOZ-QGZVFWFLSA-N	418.413	1.563	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1O	4502962	BLYYEWVGHQICFI-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cc(Br)ccc1O	8106053	DDXFIRDQSZPANL-RQZCQDPDSA-N	412.265	1.583	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCC(=O)N1CCOCC1	8446715	ZGNSDAWIFNZESB-FYJGNVAPSA-N	417.487	1.687	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@H]1C(=O)O)c1ccccc1I	17090475	NUZHYVZCXLMOGD-NXEZZACHSA-N	416.215	1.943	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c1	20207831	PBRCNQRJKRBGEV-UDWIEESQSA-N	403.460	1.683	50	40	HDGB	
CC(C)C[C@@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N1C(=O)c2ccccc2C1=O	25042776	BLOAUZVIYMCOSN-YOEHRIQHSA-N	421.519	1.190	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc(Br)c1O	408974019	USSPOBSXNBPBBM-YAXRCOADSA-N	412.200	1.727	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1	409027908	ILPSRXGJUMVHFT-VCHYOVAHSA-N	420.403	1.209	50	40	HDGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1	409267809	PDZGLMQIWPMQNH-OEAKJJBVSA-N	418.494	1.069	50	40	HDGB	
Cc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O	409326398	BIILHZXDYAXKLU-DYTRJAOYSA-N	400.460	1.258	50	40	HDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)cc1	7812962	XGEVFQDWPLUVSH-KEBDBYFISA-N	406.236	1.930	50	40	HDGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O	19955369	GZHYDTMALLQUMC-KEBDBYFISA-N	403.460	1.948	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)NC[C@@H]1CCCO1	58880748	HOVYGPNISOZUMB-BBMHEYIBSA-N	424.457	1.449	50	40	HDGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1C[C@H]1CCCO1	100801001	ASXVCDWGBDBHTH-FUVZZUHCSA-N	407.102	1.943	50	40	HDGB	
O=C(CCN1CCCCC1)NNC(=S)NC(=O)c1ccc(Br)cc1	2064534	WPHLHUDLYLYABE-UHFFFAOYSA-N	413.341	1.961	50	40	HDGB	
CC(=O)NNc1nc(C)c(C(/C=C\c2ccc([N+](=O)[O-])cc2)=N/NC(N)=O)s1	17216009	DTWUVNOOVCLIDR-PQEZBVRXSA-N	403.424	1.909	50	40	HDGB	
COc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)N(C)c4ccccc43)C3=C2COC3=O)cc1	20732983	GQHAEAVTSBTHGV-HSZRJFAPSA-N	414.421	1.934	50	40	HDGB	
CCC(=O)N1CCc2cc(C(=O)NNC(=O)c3nn(-c4ccccc4)cc3O)ccc21	40144844	GWDCIVFXJJWEGM-UHFFFAOYSA-N	419.441	1.952	50	40	HDGB	
CCOC(=O)c1c(Cl)c2ncc(S(=O)(=O)NNC(=O)C(C)C)cc2n1C	89984786	ZBXNUADZRAEJNL-UHFFFAOYSA-N	402.860	1.369	50	40	HDGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccco3)CC2)cc1OC	408971036	GFTUCICVOAAJHO-DEDYPNTBSA-N	421.475	1.848	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)ccc1O	409025896	ZTGYHGGJDIEGBN-VCHYOVAHSA-N	422.419	1.225	50	40	HDGB	
COc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1OC	2098535	DHWRUOXHCZIYQM-XHQRYOPUSA-N	414.418	1.321	50	40	HDGB	
Cn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1	3364796	WIEVPSWVSGTTDK-UHFFFAOYSA-N	413.419	1.339	50	40	HDGB	
CCOCCCNC(=S)NNC(=O)CCn1nc(C)c(Br)c1C	8681011	STCVIGDXIMYTMI-UHFFFAOYSA-N	406.350	1.574	50	40	HDGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1	13021228	CRWOBFRCHGUSLO-KBPBESRZSA-N	403.410	1.886	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1)[C@@H]1COc2ccccc2O1	16148706	DYUDSPSZMCDDKC-AWEZNQCLSA-N	413.249	1.599	50	40	HDGB	
C[C@@H]1CN(CC(=O)NNC(=O)COc2ccc(Br)cc2)C[C@@H](C)O1	25562550	HEOPXHNCPUAQOP-VXGBXAGGSA-N	400.273	1.085	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc(OC)c1O	59596762	COJLJUOXSIJYLQ-AWQFTUOYSA-N	416.825	1.867	50	40	HDGB	
O=C(NN/C=C1/C(=O)N(Cc2ccc(F)cc2)C(=S)N=C1O)c1ccccc1O	5092857	HUFBXEXXPGYXEK-NTEUORMPSA-N	414.418	1.933	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1O	18194970	BHOBORYPTQPTLF-UHFFFAOYSA-N	422.418	1.791	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	59490272	MWVCCKQVTJBGJW-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)c2ccco2)cc1	109036244	KNZDLZSUTOFBAZ-CLROSIBMSA-N	409.398	1.816	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2nn(C)cc2I)cc1OC	825426	DIZVOSAPEYAAEP-FRKPEAEDSA-N	414.203	1.806	50	40	HDGB	
CC(C)Cn1cnnc1NS(=O)(=O)c1cc(C(=O)NN)c(Cl)cc1S	1638043	TVZFXCPCPLNCHC-UHFFFAOYSA-N	404.905	1.281	50	40	HDGB	
O=C1[C@H]2[C@@H](C(=O)N1c1ncccn1)[C@@H]1C[C@H]2[C@@H](Br)[C@H]1Br	4892829	PADHABJMXCQDJV-VNQPEFDQSA-N	401.058	1.759	50	40	HDGB	
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C	12894727	QJSSSADAWBLSSS-UHFFFAOYSA-N	407.404	1.606	50	40	HDGB	
COc1cc(C(=O)NNC(=O)c2c[nH]c3nc(C)ccc3c2=O)cc(OC)c1OC	40143484	KHAOJXWYTKPMDH-UHFFFAOYSA-N	412.402	1.332	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c1	5513046	VHOVVQHKIDZUFI-YDZHTSKRSA-N	415.446	1.530	50	40	HDGB	
O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccc(Br)cc1	10647020	XUOICTPUNVJYJJ-UHFFFAOYSA-N	422.191	1.975	50	40	HDGB	
COc1ccc(NC(C)=O)cc1S(=O)(=O)NNC(=O)c1cn(C)c2ccccc12	12555448	RFDVLZHLWFRBSC-UHFFFAOYSA-N	416.459	1.769	50	40	HDGB	
CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)NNC(=O)Cc3ccccc3)n2)cc1	408637164	GITRSTPIAVYNQU-UHFFFAOYSA-N	424.486	1.912	50	40	HDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1	409263064	KCJSCSLOAMMHMG-OMBDHMDGSA-N	404.467	1.061	50	40	HDGB	
O=C(CCn1nc(O)c2ccccc2c1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	22895778	KLOOGLMIYRSTBX-UHFFFAOYSA-N	410.474	1.856	50	40	HDGB	
O=C(NNC(=O)c1cc(-c2ccccc2)on1)C1=NN(c2ccccc2)C(=O)CN1	32917175	WBHOIKKXOARIOO-UHFFFAOYSA-N	404.386	1.053	50	40	HDGB	
Cc1nnc(NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc1O	12867577	VHSLGKJVOIDXMA-SECBINFHSA-N	407.228	1.144	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-]	33649570	LXKUUCCGHAGMAV-YBFXNURJSA-N	420.447	1.515	50	40	HDGB	
O=C(CN1CCOCC1)N/N=C/c1cc(Br)c(O)c(Br)c1	408734999	IRAZNZLXUPIZKS-FRKPEAEDSA-N	421.089	1.700	50	40	HDGB	
COc1cc(/C=N/NC(N)=O)ccc1OC[C@H](O)COc1ccc(NC(C)=O)cc1	5553990	WJMZENSQSYPQAT-YJCKXXIQSA-N	416.434	1.475	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OC)cc2OC)cc1	6544468	DVYMKGJLOZIOGQ-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
COc1cc(C(=O)NNC(=O)CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)ccc1OC(C)C	12598802	GCRSGOLXNAFYHG-HUUCEWRRSA-N	415.446	1.195	50	40	HDGB	
C[C@H]1CN(CC(=O)NNC(=O)COc2ccc(Br)cc2)C[C@H](C)O1	25562556	HEOPXHNCPUAQOP-RYUDHWBXSA-N	400.273	1.085	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1	108057142	RYXWFTDXCFRVPQ-IDTCLIEOSA-N	413.321	1.349	50	40	HDGB	
CCc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)c(Br)c1	2135928	BQPMLHXCURMBEC-UHFFFAOYSA-N	400.298	1.822	50	40	HDGB	
COc1ccc(CC(=O)N/N=C2/C(=O)N(CN3CCN(C)CC3)c3ccccc32)cc1	19366102	BJSXCASOOXVYCW-YYDJUVGSSA-N	421.501	1.310	50	40	HDGB	
O=C1OC(=O)[C@@H]2C3C(c4ccccc4)=C(c4ccccc4)C(O)([C@@H]12)[C@H]1C(=O)OC(=O)[C@H]31	73315714	GWQMHYUJTIVKRW-YOACQFTDSA-N	416.385	1.604	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)ccc1O	102730770	FLFSUTQGPYDZOB-GULXKOIASA-N	401.444	1.392	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O	408921453	HZIOQAYJVOROMR-DEDYPNTBSA-N	404.492	1.678	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OCC)cc2)c1	409159208	VGZKMWYJWKQVBT-ZVHZXABRSA-N	424.457	1.855	50	40	HDGB	
CCCCOc1ccc(-c2nnn(CC(=O)NNC(=O)Cc3ccccc3)n2)cc1	4130096	BQCNBPOTGFZEGA-UHFFFAOYSA-N	408.462	1.909	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]	16186889	LAVQGSYPJZONHU-WOJGMQOQSA-N	406.420	1.374	50	40	HDGB	
O=[P@]1(N(CCCl)CCCl)N[C@@H](SCCS(=O)(=O)O)CCO1	1580228	PBUUPFTVAPUWDE-ZRNGKTOUSA-N	401.274	1.831	50	40	HDGB	in-man
CNC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1cccs1	3773503	GUDHFIIUVNFAQK-GFCCVEGCSA-N	402.457	1.129	50	40	HDGB	
CCCCN(C)C(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1	9614177	IZMLEQBTRIRQRV-MRXNPFEDSA-N	410.540	1.868	50	40	HDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1	409161233	ZPSVPJZCTZJLAZ-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21	5268460	ALICXIYSGUBHLV-MRXNPFEDSA-N	405.458	1.312	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1	6579486	FOWCEHPQIHODLG-UDWIEESQSA-N	403.460	1.385	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1	59490270	AROKEQVPPFJAMM-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	408534103	LHPZMNVEEVRPNW-LKKXKRCMSA-N	414.805	1.963	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	409028538	OLBYDBFUZXHLTN-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)NNC(=O)c1ccccn1	4678180	VZKSBIPHUJAYRQ-UHFFFAOYSA-N	415.881	1.625	50	40	HDGB	
C/C(=N\NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc([N+](=O)[O-])cc1	4729100	CPNRBPJRYWYHTA-KOWBDXASSA-N	408.418	1.469	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(C)s3)CC2)cc1	36144765	WXHZOELTNZADCV-MOSHPQCFSA-N	420.560	1.822	50	40	HDGB	
CCn1c(NNC(=O)CCNC(=O)c2ccc3cn[nH]c3c2)nc2ccccc2c1=O	58202790	VZBJOIZCRLPPSK-UHFFFAOYSA-N	419.445	1.556	50	40	HDGB	
COc1ccc(OC)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c1	101304703	HLQODBDTJNSJLZ-URAGBOGZSA-N	404.897	1.544	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)ccc1O	6537475	ZLEBOQNPZJHOAD-UDWIEESQSA-N	405.476	1.703	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccccc1Cl	8036361	HQFLZXJXFJDPNO-CYBMUJFWSA-N	421.881	1.825	50	40	HDGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@@H]1CCCN1S(C)(=O)=O	30574868	IBZRCYQVTFOGHC-ZDUSSCGKSA-N	408.505	1.304	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	408536200	QHDUPXFMBSLRAC-FVUPAENESA-N	410.386	1.319	50	40	HDGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3ccccc3O)nnn2-c2nonc2N)cc1	1821903	ZYIMLIBHBPQDMS-UFFVCSGVSA-N	404.390	1.677	50	40	HDGB	
COCCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O	3493507	XGOLCEOMPSLVMP-UHFFFAOYSA-N	412.471	1.596	50	40	HDGB	
O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccc([N+](=O)[O-])cc1	9576707	RYYYAXCYDXGNBD-PPAWOMOGSA-N	405.374	1.271	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)NNC(=O)c1ccccc1	138926043	BNBGJICMPZDNNZ-CQSZACIVSA-N	415.833	1.697	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1cccc(Cl)c1	408777064	UKCSMOAYJDSZSP-VXLYETTFSA-N	409.851	1.955	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	2641328	CTWXDQOBLVKVDG-UHFFFAOYSA-N	420.447	1.293	50	40	HDGB	
COc1ccc(CC(=O)NC(=S)NNC(=O)c2ccc(OC)c(OC)c2)cc1	8474235	MVYVZNGZHFFTNH-UHFFFAOYSA-N	403.460	1.591	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccccc2)nnn1-c1nonc1N)c1ccccc1	9293405	IJGKMDFTQYSNCO-WSDLNYQXSA-N	417.433	1.633	50	40	HDGB	
CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	13098772	RYFZMWAUNMKKEN-BOPFTXTBSA-N	415.833	1.821	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccccc1O	15884956	QRBXCLWAANQEMG-SRZZPIQSSA-N	404.390	1.759	50	40	HDGB	
C[C@H](/C=N/NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1ccccc1	25781883	DFBLLURLAICTRK-LVCXCXRVSA-N	423.481	1.738	50	40	HDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	409249949	KEJLAQXGBSRRDR-HUSFYUSLSA-N	410.474	1.747	50	40	HDGB	
CN(CC(=O)NNC(=O)Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1	12781703	UKGNMRCPNGDRII-UHFFFAOYSA-N	413.858	1.490	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c1	20207764	LLCWLRZNZFMSKW-FYJGNVAPSA-N	400.460	1.814	50	40	HDGB	
Cc1ccc(C)c(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)c1	409342367	BVYOZGPRKPCDDQ-ZBJSNUHESA-N	414.487	1.566	50	40	HDGB	
CS(=O)(=O)NNC(=O)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F	4060849	RSXQNDQBHYPNKC-UHFFFAOYSA-N	410.292	1.763	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc(C)ccn2)c(OC)c1	4599431	KFKWSWVRGZTOOI-ZMOGYAJESA-N	413.434	1.867	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)N1CCCC1	409272307	PMZXPDUCDDYJIX-IKMPRTQCSA-N	418.494	1.451	50	40	HDGB	
CC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	4499603	XSQWZNBVITXXNO-HUUCEWRRSA-N	400.520	1.624	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1	8991377	ZVRRVYFNWBEPHY-CIKBWMHTSA-N	415.427	1.077	50	40	HDGB	
O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/NNC(=O)c1ccncc1	13785693	LFWFCLGMQAVYRJ-UKTHLTGXSA-N	419.319	1.502	50	40	HDGB	
Cc1cc(C(=O)OCC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)c(C)n1-c1ccccc1	16047168	HIQLWTDPOYNHNX-IAGOWNOFSA-N	424.906	1.772	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1[N+](=O)[O-]	20207923	JSRWLSPLYBNAIS-YBFXNURJSA-N	420.447	1.828	50	40	HDGB	
O=C(NNC(=O)c1ccco1)c1ccc(S(=O)(=O)NCCc2cccs2)cc1	24487563	CKYGKPWALPMFSC-UHFFFAOYSA-N	419.484	1.937	50	40	HDGB	
CC(C)c1noc(CCC(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1	95939659	UJWGLERSBGYLAG-UHFFFAOYSA-N	424.502	1.761	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	15899687	PCIFCVSBLZZYFL-AAWXNRKFSA-N	414.374	1.010	50	40	HDGB	
COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3cccs3)C(C(=O)N(C)C)=C2S1	16949442	LJMWBHHOPPQANT-CYBMUJFWSA-N	416.484	1.471	50	40	HDGB	
COc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1	52412366	MWFDOEMQRRPZMY-OAHLLOKOSA-N	411.414	1.053	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1	2173191	CBBYZRQAYWWWCM-AWQFTUOYSA-N	419.235	1.402	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1OC	2233735	XHOCZDRTARVNAW-UFWORHAWSA-N	400.399	1.137	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1	6867515	VFIIVYUYYTUUNI-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O	408535569	TXWGJZJWKWVBDN-RVDMUPIBSA-N	423.385	1.559	50	40	HDGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc([N+](=O)[O-])cc1	408689224	XZAIGRROPRWFMH-DKJTXKKOSA-N	424.203	1.892	50	40	HDGB	
COc1c(O)ccc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)c1[N+](=O)[O-]	408972782	FILRYLJGALHLFV-UFWORHAWSA-N	415.341	1.252	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Br	869529	JABUOSQKJZYLKB-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
CCOC(=O)CNC(=O)C[C@@H](CBr)NC(=O)OCc1ccccc1	16697888	UIWHQFNVOZDAJP-ZDUSSCGKSA-N	401.257	1.746	50	40	HDGB	
CCOc1c(O)c(Br)cc(/C=N/NC(=O)c2nonc2N)c1[N+](=O)[O-]	408730970	XCPWJGMFTXLDDE-SYZQJQIISA-N	415.160	1.191	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	6326053	VJGKVEPOOPHZQY-FOKLQQMPSA-N	416.409	1.438	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccco3)nnn2-c2nonc2N)c1	9307847	XSWZPQPWCAPJKY-KEBDBYFISA-N	408.378	1.655	50	40	HDGB	
O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCCNS(=O)(=O)CCl	72311703	RDAVUGNUMKPEHJ-UHFFFAOYSA-N	419.975	1.331	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	891454	FORSWFXEYBBUPH-UHFFFAOYSA-N	417.487	1.945	50	40	HDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1C	7384495	OIJKSLYSVOHFRP-UHFFFAOYSA-N	410.521	1.528	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2cccnc2)nnn1-c1nonc1N)C1CCCCC1	9497132	SZDZRZBQKGXYBK-SSDVNMTOSA-N	424.469	1.156	50	40	HDGB	
CN1CCN(CN2C(=O)/C(=N\NC(=O)c3ccc(N(C)C)cc3)c3ccccc32)CC1	20220174	AXUPUWKFSZLWPH-FLFQWRMESA-N	420.517	1.438	50	40	HDGB	
Cc1cccc(OCC(=O)NNC(=O)CCC(=O)Nc2nnc(C(C)C)s2)c1	95427639	REDPOPBFMNRRLA-UHFFFAOYSA-N	405.480	1.915	50	40	HDGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OC	408994782	JAQHVXSSSMHJFS-ODLFYWEKSA-N	412.284	1.805	50	40	HDGB	
Cn1cccc1CC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	9439145	SRTKTAOJAZQYIS-MRXNPFEDSA-N	424.910	1.222	50	40	HDGB	
CCOC(=O)NNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F	28636807	JSRCJEVAZGQUCB-OAHLLOKOSA-N	409.439	1.493	50	40	HDGB	
CCn1nc(C(=O)NNC(=O)c2ccc(Br)nc2)c2ccccc2c1=O	72309322	PHDGOOOHVIXMDR-UHFFFAOYSA-N	416.235	1.649	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c1	408921884	KEFIVGATPBVBCA-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)[C@H]1CCCN1S(C)(=O)=O	30574873	IBZRCYQVTFOGHC-CYBMUJFWSA-N	408.505	1.304	50	40	HDGB	
CCN(CC)S(=O)(=O)c1ccc2nnc(SCC(=O)/C(C#N)=C(/C)N)n2c1	104848497	ONCWVBZHSCYWIO-QBFSEMIESA-N	408.509	1.177	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccccc3O)C2)s1	12752709	ZPRWLAKIBMQQCK-CYBMUJFWSA-N	423.516	1.624	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(F)c(C(=O)O)c1)c1cc(-c2ccccc2)n[nH]1	13362506	VZCFWUARZMKTOL-UHFFFAOYSA-N	404.379	1.537	50	40	HDGB	
NC(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)Cc1ccccc1	32988993	IUWFIFMXSSEGFU-INIZCTEOSA-N	416.865	1.094	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c2ccccc21	5564158	JKVLZLGTTGKWIC-CLCOLTQESA-N	408.414	1.422	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2C)c2ccccc21	6132210	AMYUQVZGNAJYMI-DAFNUICNSA-N	406.442	1.543	50	40	HDGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	9210910	FAWVQFKRCOXLJY-AWQFTUOYSA-N	406.362	1.727	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1OC	12813477	IIWKBLYWISJOIL-UHFFFAOYSA-N	423.425	1.754	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1OC	14185844	NEQFYMUGXMKEHH-KRWDZBQOSA-N	411.458	1.822	50	40	HDGB	
CCN1C(=O)[C@H](C)S/C1=N\NC(=O)CSc1nc2ccccc2c(=O)n1CC	1652789	AVRQOBSJGKPFJG-HISVUNRASA-N	419.532	1.880	50	40	HDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	3089026	HGGLMKCDTIEJOQ-UFFVCSGVSA-N	418.247	1.987	50	40	HDGB	
CCCc1nnc(SCC(=O)NNC(=O)c2cc(OC)cc(OC)c2)n1CC	7604877	FTBORSKIYFIUIN-UHFFFAOYSA-N	407.496	1.821	50	40	HDGB	
O=C(NNC(=O)c1cnccn1)c1cccc(S(=O)(=O)NCc2ccccc2)c1	14200391	RBEMUDJCMZBFAK-UHFFFAOYSA-N	411.443	1.030	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc(OC)c1OC(C)=O	408975566	NCRWXZUUMHTQDU-FBCYGCLPSA-N	405.367	1.193	50	40	HDGB	
Cc1ccccc1OCC(=O)N[C@@H](C)C(=O)N/N=C/c1ccc2c(c1)n(C)c(=O)n2C	2163131	NWJQVBRAJIGJKA-GIEPYWIESA-N	423.473	1.219	50	40	HDGB	
COc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)Nc4ccccc43)C3=C2COC3=O)cc1	20737670	UVGCFXBILKOUSX-QFIPXVFZSA-N	400.394	1.910	50	40	HDGB	
CC(C)[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	100550278	UHELJJROQHDVDG-ZIWGHNIJSA-N	423.101	1.874	50	40	HDGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1	831165	YTLBJNFARJMMNU-VQYZLWMVSA-N	411.458	1.762	50	40	HDGB	
Cc1ccc(C)c(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1	7384490	NCMIRXHZIKRYOQ-UHFFFAOYSA-N	410.521	1.528	50	40	HDGB	
CC(=O)NCCC(=O)NNC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12	8720862	BDEHZOPHKFEELL-UHFFFAOYSA-N	413.261	1.902	50	40	HDGB	
COc1cc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C3c4ccccc4N=CN32)ccc1O	9913781	VKWFSQWUXHABAI-WPZNHYQYSA-N	406.402	1.077	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccccc1C#N	59246415	JGFYQWFLMZNQKQ-OYKKKHCWSA-N	408.458	1.928	50	40	HDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OC)C(=O)N1	9110012	SYDMTBUTJSQBKL-KGLIPLIRSA-N	405.388	1.239	50	40	HDGB	
CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)CN2CCCCCC2=O)cc1	12972818	YTVKIRXUHNYTAI-UHFFFAOYSA-N	402.495	1.264	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1C	20208789	SQDLDSYENJJYKU-CIAFOILYSA-N	417.487	1.991	50	40	HDGB	
O=C(O)CCCNC(=O)Cn1c([P@@](=O)(O)c2ccccc2)nc2ccccc21	101023732	ISLRAPUIUZLCAP-UHFFFAOYSA-N	401.359	1.239	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccnc1	408743768	YAOJNULFEALXFA-QOJWJBQSSA-N	401.835	1.515	50	40	HDGB	
CC(C)OC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccco1	1825274	IAMGFXQPRZCCET-TYWAAFNRSA-N	423.450	1.475	50	40	HDGB	
COCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1	6441113	UUKMMGCRLVFYPC-CQSZACIVSA-N	403.460	1.308	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OCC)cc2)cc1	6953876	KGOQEIFILNTCEC-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
Cn1c(CBr)c(C(=O)c2ccccc2Br)c(=O)n(C)c1=O	9972170	ZMHCEBFJAWKZCX-UHFFFAOYSA-N	416.069	1.972	50	40	HDGB	
O=C(CN1CCN(Cc2cccc3cccnc23)CC1)NNC(=O)c1cccs1	22930310	ALOJVGRKWZZQIL-UHFFFAOYSA-N	409.515	1.875	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2(c3ccccc3)CCC2)cc1	40049157	SUMSDCRBDKWSGO-UHFFFAOYSA-N	415.515	1.885	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)NNC(=O)c1ccccc1	138926175	BNBGJICMPZDNNZ-AWEZNQCLSA-N	415.833	1.697	50	40	HDGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccccc1O	408851366	BZYNHMTXKYITPM-YDZHTSKRSA-N	406.442	1.970	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(OC)c(Cl)c2)c1C	408969559	QBNRYSVJUCKQCP-SSDVNMTOSA-N	406.870	1.969	50	40	HDGB	
Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1	8036615	FQTWXZPQGVJKJM-QGZVFWFLSA-N	409.442	1.661	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc3c(c2)OCO3)CC1	59434065	AHEUSSRZZMMFTH-LPYMAVHISA-N	410.430	1.223	50	40	HDGB	
NC(=O)COc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1	83318302	NIUOOGIJLBINRO-UKWGHVSLSA-N	406.236	1.842	50	40	HDGB	
COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)Cc4ccccc4)[C@@H]23)cc1	100246087	VURJCWQVFAALEG-HDFXNKCFSA-N	407.426	1.884	50	40	HDGB	
COc1ccc(OC)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c1	101304696	HLQODBDTJNSJLZ-OIHRWXRTSA-N	404.897	1.544	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccc(Br)cc1	408770888	CCSGXNKHLQLGMO-CXUHLZMHSA-N	400.254	1.958	50	40	HDGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)c1	6327617	GWPORSMZKDFLQB-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(F)cc2)cc1	16321268	OEGSMVBUAUFJGV-RGVLZGJSSA-N	406.439	1.555	50	40	HDGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)[C@H](Br)C2=O	100868386	FIGCLBPFTABCJB-BVGQSLNGSA-N	401.345	1.984	50	40	HDGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2cc(OC)c3c(c2)OCO3)C(C#N)=C(N)O1	5915793	MJQSFHHHYHMPRH-HNNXBMFYSA-N	402.359	1.222	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1	12936256	XJFGZAMKHIFTAT-HNNXBMFYSA-N	403.870	1.349	50	40	HDGB	
O=C(NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)c1cc(C2CC2)[nH]n1	30562945	BYICLIFLPQITCX-UHFFFAOYSA-N	414.443	1.929	50	40	HDGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)CCN2[C@H](C)CCC[C@H]2C)cc1	6350505	VVCPVFKNFLGJNF-HUUCEWRRSA-N	411.524	1.826	50	40	HDGB	
C[C@@H](/C=N/NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1ccccc1	25781881	DFBLLURLAICTRK-OFJBCHTGSA-N	423.481	1.738	50	40	HDGB	
CC1(C)OC(=O)[C-]([C@@H](c2ccc3c(c2)OCO3)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	100325720	RFQOWHLGQJZRMR-WFASDCNBSA-N	407.362	1.309	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409029344	ZQHQAJBRSXZCAE-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1cccc(Br)c1	409184612	HJHMOZBMCWYTQS-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O	12849170	KWXLZWQMZQMUPU-UHFFFAOYSA-N	422.413	1.879	50	40	HDGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	95459097	UHXPQZHCMUWLCB-GFCCVEGCSA-N	400.822	1.443	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c1-c1cccs1	2449347	WTXFBKIQHKSWLA-UHFFFAOYSA-N	421.402	1.047	50	40	HDGB	
CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1	6538254	UENBMPRGCTVIRB-DEDYPNTBSA-N	405.476	1.865	50	40	HDGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1	6607338	NMUBAJQEQTVIGH-AWQFTUOYSA-N	403.460	1.769	50	40	HDGB	
COCCNc1nnc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)s1	10022446	OYZGXIMPGUCRFF-UHFFFAOYSA-N	412.453	1.058	50	40	HDGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)NC1CCCC1	408785582	ZXNBPECDNMVYFC-NDENLUEZSA-N	418.475	1.267	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1O	8042750	LHPSVFBAXITSNM-VXLYETTFSA-N	411.867	1.825	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C)o1	12897605	XPRMFNGWKBLGGB-BIBXISHDSA-N	404.467	1.794	50	40	HDGB	
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NNC(=O)c3ccccn3)cc(C3CC3)nc21	40069504	RLBLTUNMEDTNFB-UHFFFAOYSA-N	422.445	1.088	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN(C)C)cc(OC)c1N(CCCl)CCCl	104185008	ZUUYAGNHXAHNFD-JAIQZWGSSA-N	405.326	2.000	50	40	HDGB	
O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1ccc(Cl)cc1	15891257	DOHIZTBCQWUYQC-UHFFFAOYSA-N	400.822	1.736	50	40	HDGB	
COC(=O)[C@H]1C(=O)[C@@H](NC(=O)CCCCl)[C@@H](c2ccccc2)[C@@H](C(=O)OC)C1=O	104097106	NIKHOFOLHLNIPQ-JJXSEGSLSA-N	423.849	1.004	50	40	HDGB	
N#C/C(=C/NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(N)=O	104302180	OVMCLUCTATWATD-KHPPLWFESA-N	402.461	1.062	50	40	HDGB	
CCn1cc(C(=O)NNC(=S)NC(=O)c2cccnc2)c(=O)c2ccc(C)nc21	2415323	IXGFIDAZYWMYSK-UHFFFAOYSA-N	410.459	1.069	50	40	HDGB	
C[C@@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)CS2	12975856	HMEAQGFXMXQEPQ-MLGOLLRUSA-N	417.409	1.686	50	40	HDGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	100039424	VLGYRKIDRWQODN-FRKPEAEDSA-N	405.279	1.646	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccco2)c1-c1ccc([N+](=O)[O-])cc1	1873732	GAUQHEQUJFRQHO-QGMBQPNBSA-N	409.322	1.165	50	40	HDGB	
Cc1ccccc1-n1nnnc1SCC(=O)NNS(=O)(=O)c1ccccc1	9583410	RKYPDJFCXRZVBB-UHFFFAOYSA-N	404.477	1.073	50	40	HDGB	
COc1ccc(OCC(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1	32971059	AGVUPXNISRAMHM-IBGZPJMESA-N	417.437	1.815	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c(OC)c1	5064832	SLRSACWCKHQWBH-LJQANCHMSA-N	410.474	1.954	50	40	HDGB	
O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccccc1Cl	5703817	JFFHTPQJSOAKGK-UHFFFAOYSA-N	400.616	1.887	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1	6497017	PLTPNZQWQBZPEL-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc(OC)c1OC	6544394	ABQLQPALJDUPHX-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1	6867943	OZOYCJDQEGRXFI-FOKLQQMPSA-N	412.446	1.526	50	40	HDGB	
COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1	1516866	VUPUGGAPMJDKMQ-FSEPTYSPSA-N	415.474	1.511	50	40	HDGB	
O=C(CN1CCCc2ccccc21)NNCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3300980	YZSMKKQQQLPNAC-UHFFFAOYSA-N	401.398	1.746	50	40	HDGB	
CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1cccc(F)c1	3770419	UVBCSVSWYOGDAH-TZMCWYRMSA-N	416.434	1.081	50	40	HDGB	
CC(C)n1ncc2c(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)cc(C3CC3)nc21	25050847	SOPDBHKEZOFOPB-AWEZNQCLSA-N	405.524	1.996	50	40	HDGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	408589851	NDSZFPPKPZIMHP-CIAFOILYSA-N	412.402	1.853	50	40	HDGB	
CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)c1O	6539406	ZOMDBJLTCZIGSS-UDWIEESQSA-N	421.475	1.570	50	40	HDGB	
O=C(N/N=C\C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C/C=C/c1ccccc1	6578276	LIXQPTNMBCCLLW-ILQHZWPESA-N	406.442	1.339	50	40	HDGB	
COc1ccc(CCN2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	6658451	CRRHYZXENZAUKK-OFXSGMSSSA-N	402.925	1.574	50	40	HDGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)CN(C)S(=O)(=O)c1cccs1	12782918	LUBGODMEXYWHHL-UHFFFAOYSA-N	411.505	1.212	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NN[C@@H](C(N)=O)c2ccccc2)c1	26222297	OSQMFUXQKPVINR-QGZVFWFLSA-N	404.492	1.178	50	40	HDGB	
O=C1N=c2ccc(Br)cc2=C1NNC(=O)c1ccccc1-n1cccc1	100467276	RZDRDAZRRRXGPJ-UHFFFAOYSA-N	409.243	1.442	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1	409344677	IAFAOFNKDXGHSD-DYTRJAOYSA-N	400.460	1.258	50	40	HDGB	
COc1cccc(Nc2nnc(SCC(=O)NNC(=O)c3cnccn3)s2)c1	9130893	RBNIKMUREUZELO-UHFFFAOYSA-N	417.476	1.634	50	40	HDGB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C	9305744	JKUMKJYNBGZEMZ-UYRXBGFRSA-N	402.451	1.902	50	40	HDGB	
CN(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1	16186923	AZJKMYXZGPJOLZ-VXLYETTFSA-N	409.851	1.809	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(O)cc2)cc1Cl	39986676	YPFIUWZJUVOLPG-GRSHGNNSSA-N	411.867	1.825	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OCC)cc1	409156549	OSDZCSBQUFWPNQ-ZVHZXABRSA-N	424.457	1.855	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCCN(C(=O)NNC(=O)c3ccccc3)CC2)cc1	12973251	NSTAKVCIGPAREV-UHFFFAOYSA-N	416.503	1.746	50	40	HDGB	
Cc1cc(C)n2c(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)nnc2n1	3447725	VZORCGAPALOQIY-UHFFFAOYSA-N	420.882	1.713	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2cccnc2)nnn1-c1nonc1N)c1ccccc1	9292256	RBTZOOPTTBJGHR-SSDVNMTOSA-N	418.421	1.028	50	40	HDGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnnn1-c1ccccc1	10965344	MNJBSENVPIFZMB-UHFFFAOYSA-N	418.866	1.634	50	40	HDGB	
C[C@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1ccnc1	40144862	BLKNAUVKVZZSDI-OAHLLOKOSA-N	416.445	1.607	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(Br)cc1C(=O)O	101112931	ICSBEJQRBSPPSN-DEDYPNTBSA-N	421.207	1.116	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccco1	105476738	NDKOYHZVBLDLIY-PKIICXIDSA-N	408.292	1.913	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC	409132754	RCLGRMMXNHRVFQ-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
O=C(CCBr)NNC(=O)Cc1csc2nc(-c3ccccc3)nn12	2559288	WIPXMAITNNHASK-UHFFFAOYSA-N	408.281	1.933	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(O)c2)c1	33401350	CGEUFRVJEPLSMK-ODLFYWEKSA-N	407.448	1.180	50	40	HDGB	
O=C(NNC(=O)c1csc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)cc1	40144221	GIODTPOEEYFICA-UHFFFAOYSA-N	424.460	1.516	50	40	HDGB	
C[C](O)[C@H](NC(=O)c1cccc(-c2ccccc2)n1)C(=O)N[C@@H](CC(C)C)B(O)O	1560411635	XBXPTQFRBZHAHO-OALUTQOASA-N	412.275	1.314	50	40	HDGB	
Cc1c(C(=O)N/N=C/c2ccc(F)c(Br)c2)nnn1-c1nonc1N	1507458	QDHTYNFWWLXTAE-YAXRCOADSA-N	409.179	1.206	50	40	HDGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ncccn1	100567700	PADHABJMXCQDJV-JFFSLAIJSA-N	401.058	1.759	50	40	HDGB	
Cc1occc1C(=O)NNC(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1	672598	IPVNMFYWVSPDFW-UHFFFAOYSA-N	410.386	1.639	50	40	HDGB	
CCOC(=O)/C(C)=N/NC(=O)c1cc[n+](CC(=O)c2ccc(OC)c(OC)c2)cc1	4159162	VHROWOJPCCSJHK-UHFFFAOYSA-O	414.438	1.543	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OCC(N)=O	23382674	DQOUVUQHESXULG-BHGWPJFGSA-N	412.446	1.138	50	40	HDGB	
CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1	40024625	XFMUDWJSFXKQHP-HNNXBMFYSA-N	419.503	1.748	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)c1	408772015	MKPORAAMRDKBCM-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(NC(=O)C2CC2)cc1	2134837	NFSVMAULJJWGPJ-UHFFFAOYSA-N	413.346	1.926	50	40	HDGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@@H]2C1	4453520	AXMLNTDMGIQQFP-CTNGQTDRSA-N	416.485	1.686	50	40	HDGB	
CNc1snc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(OC)c(OC)c1	16551963	ZBMFUDQNLRXXDI-UHFFFAOYSA-N	408.436	1.128	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1CN1CCOCC1	20789849	RMURHJZGWZLFGD-ZVHZXABRSA-N	410.474	1.408	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)c(O)c2)c1-c1ccccc1	2195014	JJTAZISVPWFWHO-AWQFTUOYSA-N	406.362	1.075	50	40	HDGB	
COC(=O)c1ccccc1N/C=C1\C(=O)N(CCN2CCOCC2)C(=O)C(C#N)=C1C	9422405	QLJXWXBTRFZXCL-JXAWBTAJSA-N	424.457	1.310	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c(OC)c1	108926118	GHQMJUYAPOIUDM-STZFKDTASA-N	419.503	1.658	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1OC	409149650	MGPLWXKESPOOSR-VCHYOVAHSA-N	422.419	1.041	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C)c2)c1	409154218	KBUKQFLVNXKPPG-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
COc1cccc(C(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)c1	8475310	OMZQOXFLCMSYFW-KTLMPCCSSA-N	409.232	1.992	50	40	HDGB	
CC(C)[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccccc1	13007974	VTJQOLFEIYTKLG-MRXNPFEDSA-N	400.460	1.211	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)cc(Br)c1OC	59246954	RMKAEDUSJNEXJT-VCHYOVAHSA-N	400.273	1.639	50	40	HDGB	
CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	408773444	RFFDFZYMHRIGEL-UNOMPAQXSA-N	406.464	1.077	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1	58873576	IDNNXUIUMBHOQT-SSDVNMTOSA-N	403.822	1.658	50	40	HDGB	
O=C(NNS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccc2ccccc2n1	89873124	NCQJXUUDFKZMGS-UHFFFAOYSA-N	400.416	1.950	50	40	HDGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(F)cc1	408684546	NSVFJUNDNZXACV-ORIIPUBOSA-N	412.211	1.878	50	40	HDGB	
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CCCCC1	6930026	RHKJSWQMDCFDSR-INIZCTEOSA-N	413.565	1.814	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(OC)c2O)cc1C	16282940	MWFFLNIJUPXZLZ-JAIQZWGSSA-N	421.475	1.489	50	40	HDGB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1	17088817	ZSJDGOJOQUUYRL-PDGQHHTCSA-N	411.393	1.695	50	40	HDGB	
COc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)c1	409273224	WEXQDZBVPADION-WSDLNYQXSA-N	410.430	1.441	50	40	HDGB	
CC(=O)NNc1nc(C)c(C(/C=C\c2ccc([N+](=O)[O-])cc2)=N\NC(N)=O)s1	5834413	DTWUVNOOVCLIDR-BJKDEMJXSA-N	403.424	1.909	50	40	HDGB	
Cc1ccc(C)c(N2N=C(C(=O)N([C@H]3CCS(=O)(=O)C3)N(C)C)CCC2=O)c1	12818812	ZMVLAQCYMRRLFY-HNNXBMFYSA-N	406.508	1.279	50	40	HDGB	
C=CCN1/C(=N/C=C(\C#N)C(=O)Nc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@@H]21	5489459	PRIXKDMTXLULIF-YLMQFVCOSA-N	402.501	1.789	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)CCC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21	9285070	WNTUGNOBZBMKJM-UHFFFAOYSA-N	422.441	1.698	50	40	HDGB	
Cc1cc(NC(=O)NNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)no1	12747471	CVBHNZSRDFRJCD-UHFFFAOYSA-N	401.404	1.498	50	40	HDGB	
Cc1cc(SCC(=O)NN)nc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1	223459144	KTRBFSLJRFMXIH-UHFFFAOYSA-N	415.928	1.341	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)N1CCCC1	6960731	PDMOQYTXVCOZKU-YDZHTSKRSA-N	418.494	1.309	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1CSc1ccccc1	13757892	SLTKADCMEWMODA-UFFVCSGVSA-N	421.446	1.684	50	40	HDGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)c1nonc1N	408719272	BJMXTPNRJJBIQB-SYZQJQIISA-N	419.033	1.949	50	40	HDGB	
CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(F)c1	3770420	UVBCSVSWYOGDAH-OCCSQVGLSA-N	416.434	1.081	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3F)nnn2-c2nonc2N)c1	9307532	PWMHRNIRFXFBQG-LSHDLFTRSA-N	422.380	1.811	50	40	HDGB	
Cc1cc(OCC(=O)NNC(=O)[C@H]2CCCN(c3ncccn3)C2)ccc1Cl	12553649	ATFAYNDOPJAFFW-AWEZNQCLSA-N	403.870	1.881	50	40	HDGB	
Cc1ccc(N2CC[C@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1C	53086157	MPZCJLKQKUIYDI-VQIMIIECSA-N	409.442	1.644	50	40	HDGB	
CCc1ccc(OCC(=O)NNC=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1	8483544	QAKLOQSDUNVHTR-UHFFFAOYSA-N	404.492	1.128	50	40	HDGB	
CC(=O)c1ccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	8992161	PJAOHUXBQGJHQI-PMFHANACSA-N	413.455	1.581	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c1	6173331	RXPLPMQXSZBJEK-UHFFFAOYSA-N	400.460	1.803	50	40	HDGB	
Cc1nc(COc2ccc(C(=O)NNC(=O)Cc3nc4ccccc4n3C)cc2)no1	12520335	CVFDLQGAPQRIJM-UHFFFAOYSA-N	420.429	1.847	50	40	HDGB	
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)o1	59087133	PYBHPDGFXIDCSJ-DKGMDFAASA-N	406.464	1.157	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1	409163360	QIHVMTCHDWLDIN-AFUMVMLFSA-N	424.457	1.143	50	40	HDGB	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2c(N=[N+]=[N-])nc3c(N)ncnc32)[C@H](O)[C@@H]1O	675082728	AXDVNMRMFSOCML-IDTAVKCVSA-N	422.522	1.991	50	40	HDGB	
Cc1c(/C=N/NC(=O)c2cc(=O)[nH]c(O)n2)c2ccccn2c1C(=O)c1ccncc1	3189889	DFHAAQWVWOFECU-FOKLQQMPSA-N	416.397	1.427	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1O	9210834	VBIURCTUPYSGPA-ZVBGSRNCSA-N	407.390	1.533	50	40	HDGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	19953609	CBSSMYFTOWAXGV-HSWQHBDASA-N	419.459	1.729	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1cccc(F)c1	409136065	WMAODFDOPLPUFE-CIAFOILYSA-N	404.423	1.644	50	40	HDGB	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409380994	CMDFTOJCXUTMKQ-OHNQJVKOSA-N	401.419	1.086	50	40	HDGB	
CC(C)(CO)NC[C@H](O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21	5521160	FESDCEOKQFQKKG-CVHZQBDDSA-N	409.490	1.522	50	40	HDGB	
O=C(CN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1ccccc1Br	17358651	IQKNLUVKZOVBDO-UHFFFAOYSA-N	423.267	1.465	50	40	HDGB	
O=C(CNC(=O)c1ccc(Br)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	36047048	DRTPJNLUWCSUJW-UFWORHAWSA-N	421.207	1.943	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	104484202	YWYRKUPZHLDVIZ-JXAWBTAJSA-N	413.455	1.647	50	40	HDGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	9355623	KGYOHAIADIWNAS-WHEQGISXSA-N	404.426	1.660	50	40	HDGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nc(C)cc(C)n3)CC2)cc1	13693009	ZUAVYJYVZSEBMI-UHFFFAOYSA-N	419.507	1.646	50	40	HDGB	
O=C(COc1ccccc1Cl)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	17068425	DMJCFSXPHIMIHL-UHFFFAOYSA-N	412.833	1.836	50	40	HDGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O	20213947	GYORQDBSDLUOSC-CIAFOILYSA-N	417.487	1.991	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1	408776391	NPAPRHBCNDEHCS-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2C(=O)O)cc1	6544627	UQKRGNWCAURJOM-YBFXNURJSA-N	405.432	1.164	50	40	HDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1[N+](=O)[O-]	12937262	NGTXORLJEYBNOL-UHFFFAOYSA-N	417.241	1.628	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1)[C@H]1COc2ccccc2O1	16148708	DYUDSPSZMCDDKC-CQSZACIVSA-N	413.249	1.599	50	40	HDGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)CN3CCOCC3)cc2)c1	19851851	WNTILOBMBIKYDL-OEAKJJBVSA-N	410.474	1.795	50	40	HDGB	
C[C@]12S/C(=N\[C@@H]3CCS(=O)(=O)C3)S[C@@H]1CS(=O)(=O)[C@H]2Br	221811869	QVZDWBIUSADKMV-BMXORUIUSA-N	420.397	1.286	50	40	HDGB	
COc1ccccc1N/C=C1\C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C	8993102	DUYFXLRYCSZJSB-NWFCWYBLSA-N	401.444	1.387	50	40	HDGB	
O=C(COC(=O)CNC(=O)c1ccccc1F)NNC(=O)c1ccc(Cl)cc1	7778456	STEDKSJTPGLNKC-UHFFFAOYSA-N	407.785	1.213	50	40	HDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9313984	BBQMMFUKBIEFNP-SFHVURJKSA-N	412.402	1.796	50	40	HDGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nnn1-c1nonc1N	15930202	ZTEINSKDYPQYDJ-UFWORHAWSA-N	423.349	1.473	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(F)cc2)c1	34895493	QETWYISWUWOXLC-JAIQZWGSSA-N	409.439	1.614	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1cccc([N+](=O)[O-])c1	409028153	KOHXPOWTJSTEFK-VCHYOVAHSA-N	420.403	1.209	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1CNc1ccccc1	2207058	KWZPHGWMIMFWTE-AUEPDCJTSA-N	421.396	1.748	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)cc1	2337399	XLIXKAWDQDNADW-SSDVNMTOSA-N	418.417	1.980	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cc1OC	10216175	JVSIFSQPGBMPLZ-GFCCVEGCSA-N	419.409	1.188	50	40	HDGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	19953637	CBAXHTVUVRCJKW-HCZVKUGISA-N	420.447	1.908	50	40	HDGB	
N#CC1=C(N)N=C(SCC(=O)Nc2nccs2)[C@H](C(N)=O)C12CCCCC2	23224683	RQKRHHRZSSHNFO-LBPRGKRZSA-N	404.521	1.973	50	40	HDGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2	101316536	LOLHHKAKNUABRU-GASYZBDFSA-N	402.881	1.251	50	40	HDGB	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NNC(=O)C12CC3CC(CC(C3)C1)C2	4852161	PTCAULWXGJQBFM-ATVHPVEESA-N	408.458	1.991	50	40	HDGB	
C[C@H](OC(=O)c1cnn(-c2ccccc2)n1)C(=O)NNC(=O)c1cccc(Cl)c1	8036487	HENSNOKOEVLIQC-LBPRGKRZSA-N	413.821	1.927	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3cccs3)nnn2-c2nonc2N)c1	9480180	WUFGELHHHUCOLL-DJKKODMXSA-N	410.419	1.734	50	40	HDGB	
Cc1ccc(N2CC[C@@H](C(=O)NNC(=O)[C@H]3COc4ccccc4O3)C2=O)cc1C	53086159	MPZCJLKQKUIYDI-QFBILLFUSA-N	409.442	1.644	50	40	HDGB	
N#Cc1ccc(OCC(=O)NNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1	3255496	HUBBQMVEWNFRGY-UHFFFAOYSA-N	406.398	1.161	50	40	HDGB	
Cc1noc(NS(=O)(=O)c2ccc(NC(=S)N/C=C(\C#N)C(N)=O)cc2)c1C	6013565	BLSPGRPQDXCUPU-DHZHZOJOSA-N	420.476	1.271	50	40	HDGB	
Cc1cccn2c(=O)c(/C=N/NC(N)=O)c(Sc3nnnn3-c3ccccc3)nc12	19912709	VBOVSDCEYZQIIY-KEBDBYFISA-N	421.446	1.132	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1	2796151	OIEOBTUBKOKWFN-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(C)c1	409265262	RQJKIYDRWDLOHH-FSJBWODESA-N	424.457	1.750	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1-c1ccccc1	2181698	BTKBTIGTRGBVGD-KEBDBYFISA-N	419.361	1.572	50	40	HDGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cn2nc(O)c3ccccc3c2=O)c1	2627957	RUOARTWWHFDHRE-UHFFFAOYSA-N	424.457	1.760	50	40	HDGB	
COc1cc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccco2)cc(OC)c1OC	7507143	SGGLGOPFICTORV-VOTSOKGWSA-N	404.375	1.323	50	40	HDGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	9355624	KGYOHAIADIWNAS-MCMMXHMISA-N	404.426	1.660	50	40	HDGB	
Cc1cc2c(c(=O)n1C[C@@H]1CCCO1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	9355625	KGYOHAIADIWNAS-XMHCIUCPSA-N	404.426	1.660	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCC(=O)c2cccs2)cc1	9910617	UCFWHOJJCSLNGV-UHFFFAOYSA-N	423.516	1.488	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1C(=O)O	16291245	LIKQMOLPFLHBEE-JAIQZWGSSA-N	419.459	1.473	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(C)c2)cc1OC	16348933	CEYZXIQFOCSWJA-UDWIEESQSA-N	405.476	1.783	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1OC	25317283	KEPUTMRVKUABIO-AWEZNQCLSA-N	401.419	1.610	50	40	HDGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br	59246577	OKORZGXXPWUAIW-GRSHGNNSSA-N	414.687	1.897	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(F)c(F)c1	102675964	YEGJZIXRCYVNBI-ACLQVGRQSA-N	407.398	1.657	50	40	HDGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@H]1C(=O)NC[C@@H]1c1ccccc1	2765687	VOGDWNFGMAKPSN-XELNPYELSA-N	403.442	1.866	50	40	HDGB	
O=C(CN1CCOCC1)N/N=C/c1cc(Br)cc(Br)c1O	59157052	JFJCVMUUBYNFCW-FRKPEAEDSA-N	421.089	1.700	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)CC1	59434059	OFSDEIHBRDOEDQ-KGENOOAVSA-N	411.418	1.402	50	40	HDGB	
CCOc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	5576192	YYEXHZKHLAQOOF-HAKPAVFJSA-N	400.456	1.865	50	40	HDGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-]	8384503	SYGSPQYXLPPEFR-KZKLBEMASA-N	420.447	1.908	50	40	HDGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	9913486	MGQUQMKBFOCKBR-UHFFFAOYSA-N	414.418	1.580	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2cc(C)nn2C(F)(F)F)c(C(=O)O)c1OC	71784913	UEHQCEGPXZIMGD-UHFFFAOYSA-N	416.312	1.458	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	408534104	LHPZMNVEEVRPNW-SBUZPKSBSA-N	414.805	1.963	50	40	HDGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	8036222	PKMUTGMREHWXLC-HSZRJFAPSA-N	411.421	1.925	50	40	HDGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]1C(=O)OC	9110653	MPBCWKKUIHHAEZ-CVEARBPZSA-N	404.444	1.729	50	40	HDGB	
CCCc1nnc(S)n1CC(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1	24301717	MBJFRMUHVWKMEU-UHFFFAOYSA-N	407.496	1.776	50	40	HDGB	
O=C(O)CCOCCOCCOCCNC(=O)CCSSc1ccccn1	96308258	KOUFRWRNINLSNS-UHFFFAOYSA-N	418.537	1.853	50	40	HDGB	
COc1ccc(CCN2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	6658453	CRRHYZXENZAUKK-BCHHYXHLSA-N	402.925	1.574	50	40	HDGB	
COc1cc(/C=N/NC(=O)C[C@H]2C(=O)NN=C3c4ccccc4N=CN32)ccc1O	9913785	VKWFSQWUXHABAI-GTQIFZCBSA-N	406.402	1.077	50	40	HDGB	
COc1c(Br)c([C@H]2ON=C(C(=O)NN)[C@H]2C)c(OC)c2c1OCO2	14987718	HCZYOIULHMBJRB-ANLVUFKYSA-N	402.201	1.248	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccc3O)CC2)cc1	36130768	LLVPNUWHULEJNP-STZFKDTASA-N	416.503	1.157	50	40	HDGB	
CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	58872940	CUNVCJKJIZKKLZ-MYYYXRDXSA-N	424.501	1.789	50	40	HDGB	
COc1ccc(CNC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1	59515963	GVUNOKINGOOXTD-WSDLNYQXSA-N	401.419	1.488	50	40	HDGB	
N#CCC(=N)NNC(=O)CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	3116677	QTJVFFSKKGAZCT-UHFFFAOYSA-N	403.796	1.388	50	40	HDGB	
O=C(CCNC(=O)c1ccc(Br)cc1)NNC(=O)c1ccccc1O	5172073	YJYBSBKOCUMBIB-UHFFFAOYSA-N	406.236	1.736	50	40	HDGB	
CCOC(=O)C(=O)NCc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)o1	5709173	ACTCIWONBGQTAF-SRZZPIQSSA-N	403.391	1.240	50	40	HDGB	
CSCC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccco1	6652478	XUPZNINHCMADPP-ZDUSSCGKSA-N	415.468	1.280	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	8208016	MZGMGAHPILETFI-XYHOIZSOSA-N	410.386	1.319	50	40	HDGB	
O=C(/C=N/OCC(=O)NNC(=O)c1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1	12925411	DMNZMTNGKDONCF-DJKKODMXSA-N	403.326	1.136	50	40	HDGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccco1	13638886	ABABJSZOBHTYFS-CAPFRKAQSA-N	404.492	1.435	50	40	HDGB	
Cc1cccc2c(=O)n(CC(=O)NNC(=O)c3cc(Br)cn3C)cnc12	16271468	ISPCPXWVYPPXDS-UHFFFAOYSA-N	418.251	1.267	50	40	HDGB	
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NNC(=O)c1cccs1	23291201	YHIJDJJTGFQQFI-UHFFFAOYSA-N	402.476	1.056	50	40	HDGB	
COc1ccc(OC)c(N2C(=O)C[C@H](NNC(=O)c3cccc(Cl)c3)C2=O)c1	100097015	LISYNLZTPGQVOW-AWEZNQCLSA-N	403.822	1.924	50	40	HDGB	
N#CCC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	108053797	MYTZZFQPNUKHMI-VXLYETTFSA-N	409.240	1.050	50	40	HDGB	
O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)Cc1ccccc1	4676892	GYHVLAIHMPSFKJ-UHFFFAOYSA-N	412.465	1.645	50	40	HDGB	
COc1cc(/C=C\C(=N/NC(N)=S)c2sc(NNC(C)=O)nc2C)ccc1O	5832196	DCMCAOFPWDHPEW-YRBPYOIRSA-N	420.520	1.879	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)ccc1=O	8921128	PLVKPKKHEXFHBN-UHFFFAOYSA-N	415.413	1.103	50	40	HDGB	
Cc1ccc(OCC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1	13001750	DCAIIMYMNSNZQF-UHFFFAOYSA-N	419.503	1.459	50	40	HDGB	
O=C(NNC(=O)c1cccs1)N[C@H]1CCCN1S(=O)(=O)c1ccccc1F	16789714	RENSPWOLTWSDKA-CQSZACIVSA-N	412.468	1.642	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc(C)o3)CC2)cc1	35447290	ZAQAAKGACAJNIP-DEDYPNTBSA-N	404.492	1.353	50	40	HDGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc(Br)c1O	2695931	DBSLXHQWWOWVCC-LLMHMKPQSA-N	415.265	1.374	50	40	HDGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\Nc1nncn1N	4822255	PXXBVVHOOLQGCC-OCKHKDLRSA-N	402.286	1.739	50	40	HDGB	
O=C(CNC(=O)c1ccccc1Cl)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	5945838	NHMGWCLAQJXUKY-UHFFFAOYSA-N	401.766	1.451	50	40	HDGB	
Cc1ccc(C)c(N2N=C(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)CCC2=O)c1	12818808	ZMVLAQCYMRRLFY-OAHLLOKOSA-N	406.508	1.279	50	40	HDGB	
C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1cccc(O)c1	25783120	PIPYWFFABWOFNW-SRZZPIQSSA-N	404.390	1.759	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)c1	40058332	KWUGOYBUCDTIPF-CQSZACIVSA-N	413.430	1.527	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)NCc1ccccc1	58873420	FXDCUAWZJUDMTE-MFKUBSTISA-N	422.485	1.891	50	40	HDGB	
Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	8433859	PSPIBAFFLFRONN-KRWDZBQOSA-N	409.442	1.661	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C3c4ccccc4N=CN32)cc1	9469899	OVZKHGGDFDRNIA-BYWZACNXSA-N	403.446	1.428	50	40	HDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1OC	12927208	SCABEKXCNYSYQO-UHFFFAOYSA-N	418.269	1.428	50	40	HDGB	
C[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)c1ccco1	12943914	WORKTRXONSWWGA-SECBINFHSA-N	405.354	1.426	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)c2ccccc2O)cc1	14187429	FMYSWSKFBAWVQH-KRWDZBQOSA-N	417.487	1.705	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccc(C)cc2)c2ccccc21	18191920	ZQPLIIGVFRQEIG-DAFNUICNSA-N	406.442	1.543	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)c1	408775529	UFLJMQARLPLDFO-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1	8580784	SFVIJKBSZIEJFW-PEZBUJJGSA-N	405.476	1.652	50	40	HDGB	
O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)CSc1nc2ccccc2o1	9057098	FBDXYKHYJGDRKT-UHFFFAOYSA-N	424.438	1.754	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3cccnc3)nnn2-c2nonc2N)c1	9478441	VTULNBGYBHDOKZ-UFFVCSGVSA-N	405.378	1.067	50	40	HDGB	
CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1=O	13019259	VFDJFLNKWZIQNC-UHFFFAOYSA-N	404.423	1.740	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	669844	CCUWEUYNYJZBBI-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
COc1ccc(N2C(=O)C[C@@H](NNC(=O)c3sc4ncccc4c3N)C2=O)cc1	18088186	NPWYCPINVWHMLU-CYBMUJFWSA-N	411.443	1.454	50	40	HDGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(I)c1OCC(=O)O	408837465	GDFGRJZRYNPOLK-KRXBUXKQSA-N	402.144	1.155	50	40	HDGB	
CC(C)(CO)NC[C@@H](O)Cn1cc(/C=N/NC(=O)c2ccncc2)c2ccccc21	5521163	FESDCEOKQFQKKG-VFADJPBRSA-N	409.490	1.522	50	40	HDGB	
O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1cccc([N+](=O)[O-])c1	9576719	YBKDUUYAYUWACO-PPAWOMOGSA-N	405.374	1.271	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccsc3)CC2)cc1	12736957	HFRMMZVUMCBDFX-UHFFFAOYSA-N	407.517	1.918	50	40	HDGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC	408997075	QQUIWEGSFPCBOY-ODLFYWEKSA-N	410.268	1.252	50	40	HDGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)ccc1OCC(N)=O	4566725	DDBAFOJLHVWSIB-ZVBGSRNCSA-N	413.459	1.678	50	40	HDGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)cc2)c2ccccc2c1=O	7380639	XVRKVIVRPVKCGB-UHFFFAOYSA-N	404.423	1.569	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	59959678	GTAZSLQDBCAKAS-HUSFYUSLSA-N	408.458	1.695	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1	102676036	ZVRRVYFNWBEPHY-BRYYZUPOSA-N	415.427	1.077	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C	408607186	CLEWJTNFTWCZGJ-FSJBWODESA-N	412.446	1.607	50	40	HDGB	
CN1C(=O)/C(=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21	719525	WTRYHYBXDCIFAR-MOHJPFBDSA-N	421.482	1.834	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)c1O	3117771	DALVHTVVOAPRCJ-UFFVCSGVSA-N	420.389	1.378	50	40	HDGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1	12761876	WNCXSMJLPMWATD-UHFFFAOYSA-N	402.270	1.810	50	40	HDGB	
O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1	408643706	CDAYQNWOONUEHG-UHFFFAOYSA-N	414.374	1.318	50	40	HDGB	
ClCCN1CCN(c2cc(Cl)nc(N3CCN(CCCl)CC3)n2)CC1	1692156	JKTZIRNYBHXIMH-UHFFFAOYSA-N	407.777	1.852	50	40	HDGB	
COc1cc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)c([N+](=O)[O-])c(OC)c1OC	9948701	LFUJFTSMIWVGNC-LSCVHKIXSA-N	420.334	1.998	50	40	HDGB	
C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cc2C1	14849834	ZRYHVKXIFQIPSD-JTQLQIEISA-N	421.500	1.827	50	40	HDGB	
Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1	408536124	PUSZYRGESGXECL-IXJMWADBSA-N	409.358	1.518	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(O)cc1	408743735	XTIYIJDQECRVCU-IEEVUCOHSA-N	416.846	1.825	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)c1	408778656	JQOWBPVXARQFJA-DEDYPNTBSA-N	404.492	1.678	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCC(=O)c2ccccc2)cc1	6509339	JWMIMYUNEDUQAV-UHFFFAOYSA-N	417.487	1.426	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21	8856562	VSCRUDVPAJVYLX-QQTULTPQSA-N	424.457	1.711	50	40	HDGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c1	408787245	VQOUYHPGHIWYTM-KEBDBYFISA-N	403.460	1.948	50	40	HDGB	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409380997	CMDFTOJCXUTMKQ-RDNQGFKOSA-N	401.419	1.086	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])c1cccc([N+](=O)[O-])c1	9908152	RBIIQFSPEHJFIX-LICLKQGHSA-N	421.391	1.419	50	40	HDGB	
O=C(NNC(=O)C1CC1)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1	20365851	LRVDAIFOOKAUPW-SECBINFHSA-N	405.764	1.868	50	40	HDGB	
COc1cccc([C@H](NC(=O)NNC(=O)Cc2csc(C)n2)c2nccn2C)c1	40071884	CLDGKSBZPBPEHH-KRWDZBQOSA-N	414.491	1.856	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Br)c1	677813	GDRSUVOPESMDTJ-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
COc1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)c([N+](=O)[O-])cc1OC	8824168	NSKIDKHJCXMBFM-UHFFFAOYSA-N	409.376	1.292	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccccc1	8969435	AGQMQFPWIVMVTP-LPYMAVHISA-N	418.417	1.966	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)c(OC)c1	408913769	UDWXCPRBLDYQQE-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1O	409025516	WHFXIIBBMOAZKU-VCHYOVAHSA-N	422.419	1.225	50	40	HDGB	
CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	8920149	FSNXASULLMXFGZ-IHCLVQKISA-N	422.441	1.218	50	40	HDGB	
CC(=O)c1cccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c1	9422205	UYTGBRCBDNTYAI-ZHZULCJRSA-N	408.458	1.726	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	408781041	QMRBSNHKSONMQJ-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
NC(=O)C(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc2ccccc2c1	5892127	KNAAVNFUUCPYLP-VYUMYAIBSA-N	402.410	1.375	50	40	HDGB	
C[C@@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NNC(=O)c1ccc(F)cc1	8130616	GHDCDRUGDKCVJB-SNVBAGLBSA-N	404.402	1.882	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)c(OC)c1	16839269	HWLXAMMVBVHGHY-UHFFFAOYSA-N	407.426	1.989	50	40	HDGB	
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1cccc([N+](=O)[O-])c1	21898208	BCSAUPQLXWMPHV-UHFFFAOYSA-N	400.435	1.688	50	40	HDGB	
N#C/C(C(=O)NN1C(=O)c2ccc(C(=O)O)cc2C1=O)=C(\O)c1ccc([N+](=O)[O-])cc1	100699847	NOQXFFMBFXQENZ-CCEZHUSRSA-N	422.309	1.413	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409175821	VHPSXBCUKZQNHO-YSURURNPSA-N	422.363	1.919	50	40	HDGB	
O=C(Cn1ccc(C(F)(F)F)n1)NNC(=S)NCc1ccc2c(c1)OCO2	16185319	OFYOCKJSQQCMHX-UHFFFAOYSA-N	401.370	1.326	50	40	HDGB	
CCOc1ccccc1OCC(=O)NNC(=O)c1cccc(NS(=O)(=O)CC)c1	29506015	FTJBLMZUUWJAGH-UHFFFAOYSA-N	421.475	1.687	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1OC	409265207	RIVYPKWSASXMDQ-SSDVNMTOSA-N	405.838	1.872	50	40	HDGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)N2CCCCC2)c1	8036398	HLFXWIXMOQZJJW-UDWIEESQSA-N	419.459	1.742	50	40	HDGB	
CCn1c(NNC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O	10681506	VTTHTYLTPGSDGJ-GFCCVEGCSA-N	424.417	1.586	50	40	HDGB	
CCc1cccc(N2C[C@H](C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)CC2=O)c1	12998252	LYADYUUHSDFGEM-CQSZACIVSA-N	419.441	1.300	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccccc3C)CC2)cc1	35447294	FBJSXUVVHLIXON-PXLXIMEGSA-N	414.531	1.760	50	40	HDGB	
COc1cc(C(=O)N/N=C(\N)CN2C(=O)c3ccccc3C2=O)cc(OC)c1OC	95951529	JTDMXZRLGMPCMN-UHFFFAOYSA-N	412.402	1.011	50	40	HDGB	
CCN(CC)C(=O)COc1ccc(/C=N/NC(=O)CSc2nnc(N)s2)cc1	1791630	JXPHUKPJEOPKNO-DJKKODMXSA-N	422.536	1.610	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1OC	6544565	PRRDSVFVBKUPNZ-RGVLZGJSSA-N	409.439	1.614	50	40	HDGB	
CCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc21	16844346	HAIIEQRHVRGWMG-HAVVHWLPSA-N	409.471	1.962	50	40	HDGB	
CCCCS(=O)(=O)N1CCC(C(=O)NNc2nc(-c3ccncc3)no2)CC1	69951995	MMWAFXGDDGCGQI-UHFFFAOYSA-N	408.484	1.417	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)CNC(=O)COc2ccccc2C)cc1	6238614	YBQLZBONPVHWQB-FOKLQQMPSA-N	413.430	1.192	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccccc1[N+](=O)[O-]	16291259	XDKAUCPPSKEURC-ODLFYWEKSA-N	420.447	1.683	50	40	HDGB	
Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C1/CCc2ccccc21	102277833	KSBFTSZUUISNNO-JCMHNJIXSA-N	421.465	1.299	50	40	HDGB	
COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1OCC(=O)Nc1ccccc1C	408608440	HKTDYIPTSLKYNV-FSJBWODESA-N	424.457	1.750	50	40	HDGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1	409165338	WSSMDXNSNFTKHS-CAOOACKPSA-N	419.219	1.372	50	40	HDGB	
O=[P@@]1(N(CCCl)CCCl)N[C@H](SCCS(=O)(=O)O)CCO1	5134326	PBUUPFTVAPUWDE-HOGDKLEQSA-N	401.274	1.831	50	40	HDGB	in-man
COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC	95202404	HIAYYONCOCGLJP-ATJXCDBQSA-N	424.457	1.474	50	40	HDGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccco3)nnn2-c2nonc2N)cc1	2438753	SPSWLQHUDXTCDO-KEBDBYFISA-N	408.378	1.655	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1	12852248	ZRUHJNAFWHHJCH-UHFFFAOYSA-N	415.269	1.369	50	40	HDGB	
COc1cc(/C=C\C(=N\NC(N)=S)c2sc(NNC(C)=O)nc2C)ccc1O	17215485	DCMCAOFPWDHPEW-UMALRXCSSA-N	420.520	1.879	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	409163245	OCWKOILNDNDUPI-ZMOGYAJESA-N	424.457	1.773	50	40	HDGB	
COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(OCC(N)=O)c(OC)c1	6858360	GNKWNDDATLVUOJ-HNNXBMFYSA-N	407.810	1.033	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C	8571377	XSICUJHLXQEFTK-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)c2cc(Br)ccc2F)c2ccccc2c1=O	12818044	HNYPUXCWYTXFOG-UHFFFAOYSA-N	419.210	1.910	50	40	HDGB	
Cn1nc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c2ccccc2c1=O	6537270	WQEVRNNRGOGXHJ-UHFFFAOYSA-N	401.382	1.932	50	40	HDGB	
Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C1\CCc2ccccc21	6475908	XZHMNFZMGBMFEG-PXLXIMEGSA-N	400.402	1.980	50	40	HDGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc2c(c1)OCO2	8642905	UQAFCGKKAQPGKO-ODCIPOBUSA-N	405.374	1.548	50	40	HDGB	
O=C(COC(=O)C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)c1cccs1	12424981	BXWCYMDXPGMXFE-ZDUSSCGKSA-N	405.457	1.555	50	40	HDGB	
COc1ccc(N2C(=O)C[C@H](NNC(=O)c3sc4ncccc4c3N)C2=O)cc1	95910915	NPWYCPINVWHMLU-ZDUSSCGKSA-N	411.443	1.454	50	40	HDGB	
CN1C(=O)/C(=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c2ccccc21	102946123	YWHHGEWCJIVFRW-XSFVSMFZSA-N	401.220	1.885	50	40	HDGB	
CCOc1cccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1O	409136653	YBDZAEANTKYAHZ-RGVLZGJSSA-N	409.439	1.846	50	40	HDGB	
COCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1	6441106	UUKMMGCRLVFYPC-AWEZNQCLSA-N	403.460	1.308	50	40	HDGB	
NNC(=O)N/N=C(\C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1	17176568	QCNYSNQEILUJLA-FEMWLQECSA-N	418.251	1.556	50	40	HDGB	
COc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2c(C)nc3ccccn23)C(C)C)cc1	32720265	BYLAMFYGCUKFRX-GOSISDBHSA-N	423.473	1.867	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O	73404669	YIDDZQVBSDBDFM-ZCJKAFFOSA-N	414.418	1.496	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1O	5514316	DIGSOKJQUBQNGQ-WSDLNYQXSA-N	401.419	1.227	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)CCS(=O)(=O)c2ccccc2)nc2ccccc21	8417357	ZIMMJYKGYWAOQJ-UHFFFAOYSA-N	400.460	1.127	50	40	HDGB	
COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408680361	GEAXYGAVYBQLLR-QAKAVFCJSA-N	424.247	1.748	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O	408776813	RNVDWRULWILXGL-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)NC[C@H]1CCCO1	409200531	MDOQGPUFIKXTSN-XYSGSMRZSA-N	422.485	1.702	50	40	HDGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21	989153	DWXIMGAWSFIUQJ-OAQYLSRUSA-N	409.398	1.171	50	40	HDGB	
O=C(NNC(=S)NC(=O)c1cc2ccccc2oc1=O)c1ccc2c(c1)OCO2	4524845	LYUXLOGPMFAJPL-UHFFFAOYSA-N	411.395	1.471	50	40	HDGB	
O=C(NNC(=S)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccncc1	6512110	CTZVBSADHVJGMR-UHFFFAOYSA-N	419.532	1.888	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1	19954919	DQEKRLRVWGIBFW-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)cc1OC	409314091	KDPNTWOWMXFBEX-FMCGGJTJSA-N	413.430	1.897	50	40	HDGB	
Cc1ccc(OCC(=O)NNC(=O)C(=O)Nc2ccccc2)c(Br)c1	5927095	KCNJJKVHOVNDGO-UHFFFAOYSA-N	406.236	1.922	50	40	HDGB	
O=C(CN1CCCCCC1=O)NNS(=O)(=O)c1cccc(Br)c1	13059037	QSJUKOSLZXISIC-UHFFFAOYSA-N	404.286	1.161	50	40	HDGB	
C/C(=N\NC(=O)c1nn(C)cc1I)c1cc(O)ccc1O	101532139	SUYOUCHHIIDPRS-VIZOYTHASA-N	400.176	1.590	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccccc1Cl	408685970	QQKMDRDTGNUCEO-IEOIMIPYSA-N	413.655	1.672	50	40	HDGB	
CCOC(=O)Cc1[nH]nc2c1[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2	663147	WQKCSXCXFQFZIJ-MRXNPFEDSA-N	414.418	1.759	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)o1	4086441	VPXZJZISYKHKFA-CIAFOILYSA-N	418.475	1.253	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC	6319872	VFGWUDXKPRJWDW-UDWIEESQSA-N	420.491	1.198	50	40	HDGB	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)COc1ccccc1C	6886476	QYJZAMVVHZFWNR-LJQANCHMSA-N	408.458	1.750	50	40	HDGB	
COc1cc(OC)cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1	18271600	NQMAEABOOVJPAC-MRXNPFEDSA-N	403.822	1.924	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)ccc1O	408782212	GAJIXPBADXXDCU-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
CC(=O)c1cccc(-n2nnnc2SCC(=O)NNC(=O)C2CCCCC2)c1	1357638	RKIXYSXAONYZQL-UHFFFAOYSA-N	402.480	1.685	50	40	HDGB	
C[C@]12S/C(=N\[C@@H]3CCS(=O)(=O)C3)S[C@H]1CS(=O)(=O)[C@H]2Br	12173913	QVZDWBIUSADKMV-BOQBNYQHSA-N	420.397	1.286	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)ccc1O	39986646	LBQDWLWWKZCJOP-JAIQZWGSSA-N	421.475	1.489	50	40	HDGB	
COc1ccc(OC)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1	101304704	HLQODBDTJNSJLZ-UEUPWSJBSA-N	404.897	1.544	50	40	HDGB	
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C\c1cc(Br)ccc1O	102960285	CJFVRBLGVUGJGJ-UWVJOHFNSA-N	421.207	1.943	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1	408784745	SIBJKBBBAMJLFM-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1ccc(I)o1	14010345	DNORZHBGIGACFG-PXNMLYILSA-N	422.186	1.688	50	40	HDGB	
COc1ccc(C2=NO[C@@H]3[C@H]2/C(=N/NC(=O)Cc2ccccc2)[C@H]2OC[C@H]3O2)cc1	108545730	VURJCWQVFAALEG-NVQCROIMSA-N	407.426	1.884	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409161075	VZBDVNPRDBDTJV-YSURURNPSA-N	422.363	1.919	50	40	HDGB	
COc1ccnc(NNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)n1	40081266	LGBITPVVSXOMSV-SNVBAGLBSA-N	406.240	1.744	50	40	HDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccc(OC)c(OC)c2OC)cc1	223161285	OGFYUDJQGOFGCI-NHDPSOOVSA-N	415.402	1.588	50	40	HDGB	
Cc1cccc(C)c1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O	409350518	YKTVIMIZRWQBHA-RELWKKBWSA-N	414.487	1.566	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	6356938	VVVBFOBYGZHSOU-YBFXNURJSA-N	407.448	1.180	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	20060376	AIRGELXYPJFLCE-VXLYETTFSA-N	405.432	1.340	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCC#N)c3ccccc32)cc1	5981930	SVWVSNZUHPTJCJ-PLRJNAJWSA-N	405.414	1.206	50	40	HDGB	
Cc1cc(C)n2nc(C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)nc2n1	6057086	SAGDOKWMVABIDL-UHFFFAOYSA-N	402.798	1.013	50	40	HDGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)CNC(=O)NCc1ccc(F)cc1	26536791	BDFUKAXVAXENOO-UHFFFAOYSA-N	402.426	1.468	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H](c3ccccc3)N3[C@H]4C(=O)OC(=O)[C@@H]4[C@H](c4ccccc4)N3[C@H]12	100494462	KWFYDQPIDCQJLO-BLONOQDTSA-N	404.378	1.152	50	40	HDGB	
CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)c1	7939963	KYPGRCYUQSEOGW-UHFFFAOYSA-N	411.414	1.612	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC[C@H]1C	8354551	QGPASJJFWOFDDX-CYBMUJFWSA-N	421.475	1.926	50	40	HDGB	
O=C(Cn1nnc2ccccc21)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	8456367	BYGAFJDHIIUUEK-REZTVBANSA-N	419.195	1.958	50	40	HDGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)CCn3cnc4ccccc4c3=O)[nH]n2)cc1	84171795	WRKVWLZQZWNTSA-UHFFFAOYSA-N	416.441	1.946	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)ccc1OCC(N)=O	803836	YJBDULXIIIUTCR-GFCCVEGCSA-N	409.324	1.519	50	40	HDGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3O)nnn2-c2nonc2N)cc1	1751464	WENXMTSBYYNJIL-ZVBGSRNCSA-N	420.389	1.383	50	40	HDGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CCS(=O)(=O)c1ccccc1	6648047	BFMHLHPFRAGMRM-UHFFFAOYSA-N	414.487	1.610	50	40	HDGB	
COC(=O)C1=C(C(=O)c2ccccc2)[C@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1	78549349	BGDHOSHYKAPYCN-JOCHJYFZSA-N	401.378	1.911	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@H]3Br)CC1	245253804	FYPXPXUQTCUDRK-DARAHFNDSA-N	407.374	1.723	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1O	4899170	CAONUUYIXCEJLB-XHQRYOPUSA-N	414.418	1.496	50	40	HDGB	
O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1C[C@@H]1CCCO1	169293881	ASXVCDWGBDBHTH-ZJHHDJRBSA-N	407.102	1.943	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2NC(=O)NNC(=O)c2ccncc2)cc1	1467682	DSSLTCUBUCUSBX-MRXNPFEDSA-N	403.464	1.145	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(OC)c1	408609975	SQWGEMLRVRUAGQ-FSJBWODESA-N	403.410	1.626	50	40	HDGB	
O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1cccc([N+](=O)[O-])c1	9576718	YBKDUUYAYUWACO-CTJICSLTSA-N	405.374	1.271	50	40	HDGB	
Cc1cc(C)c2c(N)c(C(=O)NNC(=O)Cn3c(=O)cnc4ccccc43)sc2n1	9847217	HNUNXMUYBCRTOP-UHFFFAOYSA-N	422.470	1.666	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1	13805320	AKGBABYEZUSWFO-DJKKODMXSA-N	410.419	1.734	50	40	HDGB	
CC1(C)OC(=O)C([C@H](c2ccc3c(c2)OCO3)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	20219012	ROORPDRIUHFJDK-SWLSCSKDSA-N	408.370	1.351	50	40	HDGB	
Cc1cc(N2C[C@@H](C(=O)NNC(=O)c3cccnc3)CC2=O)ccc1Br	32795477	KZPCAUREIGYBFX-ZDUSSCGKSA-N	417.263	1.967	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1	408739430	BVKNJZVLTGYPAW-FVOVHSBVSA-N	411.399	1.375	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccco2)nnn1-c1nonc1N)c1ccccc1	9293417	XQDYLHIODFKQRH-KEBDBYFISA-N	407.394	1.226	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2cccc(OC)c2)c1	12766526	DDHDFFFYXMOLNG-UHFFFAOYSA-N	419.503	1.729	50	40	HDGB	
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)o1	59087134	PYBHPDGFXIDCSJ-HFQYIWAZSA-N	406.464	1.157	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1	409169243	OYRHTAQPEUMNSY-ZVHZXABRSA-N	424.457	1.855	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1	705340	ZYZNOYOKVZQJSV-WSDLNYQXSA-N	417.433	1.729	50	40	HDGB	
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccncc1	13151228	UFRHHEHRXDGCAJ-UHFFFAOYSA-N	422.894	1.597	50	40	HDGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c2ccccc21	409330760	LWRWSPSIYULPMJ-HEHNFIMWSA-N	404.423	1.089	50	40	HDGB	
Cc1cc(C)cc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)c1	409340184	RVDRXBDPDGEKFL-ZBJSNUHESA-N	414.487	1.566	50	40	HDGB	
CCOc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccncc3)C(O)=NC2=S)cc1	4837498	KBVQTRJYDRSUBM-RVDMUPIBSA-N	411.443	1.887	50	40	HDGB	
O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C\c1ccc(Br)cc1	31870569	SACWATKKXWFFMN-JRLSWLOKSA-N	418.247	1.855	50	40	HDGB	
COc1cc(OC)cc(C(=O)NN[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)c1	101687220	ICOGJMBEGVJVOT-INIZCTEOSA-N	403.822	1.924	50	40	HDGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2cc(OC)c3c(c2)OCO3)C(C#N)=C(N)O1	5915787	MJQSFHHHYHMPRH-OAHLLOKOSA-N	402.359	1.222	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	8091871	NJQRRIPPQOSJQN-FOKLQQMPSA-N	402.838	1.231	50	40	HDGB	
O=C(NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12)c1ccc[nH]c1=O	12794280	OOFCYFANEYQLIW-UHFFFAOYSA-N	401.382	1.149	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)N1[C@@H]3C(=O)OC(=O)[C@@H]3[C@H](c3ccccc3)N21	239338637	KWFYDQPIDCQJLO-COZGXFGHSA-N	404.378	1.152	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O	409268739	YJVGRCZTJITECF-ZBKNUEDVSA-N	406.782	1.885	50	40	HDGB	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409380991	CMDFTOJCXUTMKQ-IGMJJTELSA-N	401.419	1.086	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C)n2C[C@@H]2CCCO2)cc1	915453	SLZSBHFOSHHXDR-HNNXBMFYSA-N	405.480	1.327	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1	9307881	LBIJJFSFSKOEMB-DJKKODMXSA-N	410.419	1.734	50	40	HDGB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NNC(=O)c1ccccc1O	9348492	SNMRXNKOTQBXFI-FOWTUZBSSA-N	416.393	1.947	50	40	HDGB	
COc1ccccc1NCC(=O)NNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C	12553733	SHHRSHVESCRPNN-UHFFFAOYSA-N	421.457	1.940	50	40	HDGB	
COC(=O)c1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1	33620577	FGBLDVFBFKWRCG-STZFKDTASA-N	417.487	1.428	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1	58873659	YZJFDCKICLLFGY-OHHQFBAHSA-N	410.474	1.918	50	40	HDGB	
COc1ccc(C(=O)NN[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC	3375170	PHLWWYFPKOMDNH-HNNXBMFYSA-N	417.849	1.919	50	40	HDGB	
COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)cc(OC)c1O	6004077	YVEINCOWHHHOCK-FKWNBAQXSA-N	417.418	1.798	50	40	HDGB	
N#CC(C(=O)COC(=O)Cn1nnc(-c2cccs2)n1)=C1Nc2ccccc2N1	9255389	WPHKBGFAOVZEQS-UHFFFAOYSA-N	407.415	1.787	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)COCC(=O)Nc2ccc(C#N)cc2)ccc1[N+](=O)[O-]	12630410	DMAHAJXWEALSSG-UHFFFAOYSA-N	411.374	1.191	50	40	HDGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)c1	6456210	WFNJSHVDYFQOPO-VXLYETTFSA-N	404.448	1.949	50	40	HDGB	
CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC)c2ccccc21	9360897	CUOJQZVWZRYMBP-NRFANRHFSA-N	411.414	1.395	50	40	HDGB	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc(S(=O)(=O)NCC2CC2)c1	72282599	ROVLBYPGQZBBIZ-UHFFFAOYSA-N	414.447	1.577	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)NNC(=O)c3ccco3)nc2c1	32957376	PYEBAWAIKPHUDF-UHFFFAOYSA-N	424.460	1.224	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1	408774341	ZLTAUWQPPCRJOZ-RGVLZGJSSA-N	407.423	1.529	50	40	HDGB	
CC[C@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(Br)c1	6168472	PQSBARFVMOMXKO-ZANVPECISA-N	401.261	1.058	50	40	HDGB	
C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccccc2)nnn1-c1nonc1N	34780080	XVJMWKJQXRVDRD-GMDDEGIZSA-N	409.454	1.371	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	16186992	LDWDDXTZGZHUTA-WOJGMQOQSA-N	406.420	1.374	50	40	HDGB	
CC(C)C[C@@H](NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN	4611607	IYCZMJMNVSEOOM-IAGOWNOFSA-N	422.526	1.617	50	40	HDGB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)OC)CC1	9075512	JXQJOPFVIQOAJB-FOWTUZBSSA-N	424.457	1.862	50	40	HDGB	
O=C(NNC(=O)c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1cccc([N+](=O)[O-])c1	14203951	MSZYFZJXWKDYBL-UHFFFAOYSA-N	409.358	1.831	50	40	HDGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	32977753	RMOOLWGXHXUCJC-VQIMIIECSA-N	413.499	1.892	50	40	HDGB	
NNC(=O)c1cc(I)cc(I)c1O	36962929	FYSNBBIIMWYBID-UHFFFAOYSA-N	403.945	1.205	50	40	HDGB	
C[C@@H](C(=O)O)N1CN(/N=C\c2ccc(Cl)cc2Cl)C(=N)N[C@]1(O)CCl	53045720	YJDKRYDWVLAXOR-GPPYEXORSA-N	408.673	1.785	50	40	HDGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(O)c1	59104221	PLTBYTAGZZMKKG-YDZHTSKRSA-N	406.442	1.970	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	408532561	IIXORIGFLHYDRI-CBVHTYNASA-N	421.413	1.568	50	40	HDGB	
O=C(O)c1nsnc1NCCSSCCNc1nsnc1C(=O)O	3078642	RIPYTPLCEZKJNE-UHFFFAOYSA-N	408.512	1.691	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	8369216	HTQLXKPWRPCEMG-FOKLQQMPSA-N	412.446	1.526	50	40	HDGB	
C/C(=N/NC(=O)[C@@H](C)n1nc(C)c([N+](=O)[O-])c1C)c1ccc(OCC(N)=O)cc1	9210620	TZIINHOWTVNJHE-CFFVULROSA-N	402.411	1.374	50	40	HDGB	
COc1cc(/C=C/C(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC	11005941	XFHSQDIBZKMCEI-QPJJXVBHSA-N	414.414	1.958	50	40	HDGB	
NC(=O)[C@H]1CC(C(=O)NNC(=O)c2ccccc2Cl)=NN1c1ccc(F)cc1	12920706	MMAZERKBCCNSOG-OAHLLOKOSA-N	403.801	1.360	50	40	HDGB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)C[C@@H](C)O1	5023098	DTIABXSIIHQJFW-KDUYSQSBSA-N	423.473	1.074	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(F)cc1	7384480	GEHFAFPQKJDTCB-UHFFFAOYSA-N	400.457	1.051	50	40	HDGB	
COc1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC	8740594	RQXFDMAOPBFIBA-LSHDLFTRSA-N	421.417	1.836	50	40	HDGB	
Cc1noc2ncc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cc12	32908261	ZUXPSKMZWSFEBR-UHFFFAOYSA-N	408.462	1.505	50	40	HDGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)N/N=C/c1ccc(O)cc1O	408732555	WTPRZDXIWAFSFA-VXLYETTFSA-N	412.431	2.286	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCC(N)=O	3335357	SSOXHJKRNIZWIP-ODCIPOBUSA-N	421.251	1.871	50	40	HDGB	
COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)cc(OC)c1O	6004082	YVEINCOWHHHOCK-UEFOCPSCSA-N	417.418	1.798	50	40	HDGB	
CSCC[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(COc2ccccc2)cc1	6509506	XNWBGQOBUKRKBX-KRWDZBQOSA-N	416.503	1.817	50	40	HDGB	
O=C(COCc1nc2ccccc2s1)NNC(=O)c1n[nH]c(=O)c2ccccc12	7810521	PHTOQTHUVDUXKH-UHFFFAOYSA-N	409.427	1.511	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	19954927	JXRQUGCKUXPMEB-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
O=C(NC[C@@H]1CCCO1)NNC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1	84341533	JTRJSKIXWJWRED-HZMBPMFUSA-N	401.250	1.996	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2c(c1)OCO2	102729175	HWBYSHSSGBWCRW-MGMWDDNKSA-N	415.427	1.107	50	40	HDGB	
CNC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@H]1c1cccs1	3773502	GUDHFIIUVNFAQK-LBPRGKRZSA-N	402.457	1.129	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccccc1F	7384485	WXQVYLAAZMKOBD-UHFFFAOYSA-N	400.457	1.051	50	40	HDGB	
CC(=O)N[C@@H](C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(C)C	12816296	ODQRLPZYTJMTNF-GOSISDBHSA-N	420.473	1.856	50	40	HDGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3O)c(C)c(C#N)c2=O)cc1	409059289	MDNXJMHHTSHMRP-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3CCOCC3)nc12	2202613	XMQWGVGEBLOGIC-FOWTUZBSSA-N	419.441	1.656	50	40	HDGB	
COC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1	4748568	VUPUGGAPMJDKMQ-WQJNHMDYSA-N	415.474	1.511	50	40	HDGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3cccnc3)nnn2-c2nonc2N)c1	9291719	WAJWJGARQHYWRR-SSDVNMTOSA-N	419.405	1.457	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCO1)c1cccc(S(=O)(=O)NCc2ccccc2)c1	10219022	BFVBEQHWCHMHHZ-KRWDZBQOSA-N	403.460	1.105	50	40	HDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@H]1COc2ccccc2O1	58918713	HHLAXYHIGJGQFI-MRUVXERFSA-N	412.402	1.722	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c(C)c1	408773802	TVDCKGHLSWEIMV-KEBDBYFISA-N	403.460	1.948	50	40	HDGB	
Cn1cc(Cl)c(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)n1	695816	YUOMVEZKVLGWFY-KEBDBYFISA-N	405.842	1.075	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2)c1	2662778	YKPQDYZQZYJSHN-UHFFFAOYSA-N	405.476	1.557	50	40	HDGB	
COc1ccc(OC)c([C@@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	4452879	XAPBDUQELSILHC-AZUAARDMSA-N	403.442	1.976	50	40	HDGB	
CCc1cc2c(=O)n(CC(=O)N/N=C3\C(=O)N(CC)c4ccccc43)cnc2s1	5961527	CWAYKZNTXIYUAW-QJOMJCCJSA-N	409.471	1.907	50	40	HDGB	
CC(C)(C)c1ccc(C(=O)NCC(=O)NNC(=O)COc2ccccc2C#N)cc1	6510510	ZKSANDQDRCTZBW-UHFFFAOYSA-N	408.458	1.812	50	40	HDGB	
CCOc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1O	6539412	LXGGUCMTOJMLBM-UDWIEESQSA-N	405.476	1.703	50	40	HDGB	
COC(=O)CC(=O)/C(C(=O)N(N)c1nc2ccccc2s1)=C(\C)N1CCOCC1	13513402	WRBJVKAICJDSPO-ATVHPVEESA-N	418.475	1.241	50	40	HDGB	
C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\C2CCCCC2)nnn1-c1nonc1N	33928378	LKONAVVWNQBGJB-PJICWNCHSA-N	415.502	1.903	50	40	HDGB	
Cc1cc(O[C@@H](C)C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl	1404954	KNZHMOPXPZKHAK-STQMWFEESA-N	402.900	1.696	50	40	HDGB	
COc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-]	2088656	SYGSPQYXLPPEFR-HCZVKUGISA-N	420.447	1.908	50	40	HDGB	
Cc1nn(CCC(=O)NNC(=S)Nc2ccc([N+](=O)[O-])cc2)c(C)c1[N+](=O)[O-]	13471166	JCVTVRLJTUOCHO-UHFFFAOYSA-N	407.412	1.724	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O	20208982	ILXGUGQZSNNLRL-FYJGNVAPSA-N	417.487	1.937	50	40	HDGB	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)OCC(Br)Br)C1	59568563	MBCWQHPYULWERD-CRCLSJGQSA-N	415.556	1.398	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c1C	408906289	FNIYRRUAVYBDGP-CIAFOILYSA-N	417.487	1.991	50	40	HDGB	
O=C(CCc1ccccc1)NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1	842939	DXLHAJDNOGIQCQ-UHFFFAOYSA-N	412.494	1.226	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2O)cc1OC	6544716	XTWFOZCDBKWHFB-YBFXNURJSA-N	407.448	1.180	50	40	HDGB	
CC(=O)c1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1	9422561	ZCVNNFHDKJGRPI-ZHZULCJRSA-N	408.458	1.726	50	40	HDGB	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1	12931781	DUBQKKBETPLCSX-UHFFFAOYSA-N	424.548	1.901	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(NC2=NS(=O)(=O)c3ccccc32)C(=O)C(C)C)cc1	16309137	MWUASDQKLQIBEW-UHFFFAOYSA-N	421.500	1.822	50	40	HDGB	
Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)c3cccc(N(C)C)c3)C(=O)NC2=S)cc1	408752459	ARTYLOCRVUWESG-SLCIXIPPSA-N	423.498	1.841	50	40	HDGB	
Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1C	5878996	ATXROSJPXJQHJU-KRWDZBQOSA-N	409.442	1.661	50	40	HDGB	
COc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(O)=NC2=S)c1	34240723	QKYQPUFCHSDZHH-UVTDQMKNSA-N	412.427	1.807	50	40	HDGB	
COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)C)=C1C	4517095	RZCNVAHECNZDQH-OAQYLSRUSA-N	411.414	1.251	50	40	HDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1	4700000	UZWOGVWDJZWTBM-AFUMVMLFSA-N	410.474	1.604	50	40	HDGB	
C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21	5789063	PQWBBJGVJANQOQ-QQTULTPQSA-N	408.845	1.499	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1	6497023	RQMRUPTYBMXOLG-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
C[C@]12CCC(=O)N1[C@@H](C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)CS2	12975858	HMEAQGFXMXQEPQ-WBMJQRKESA-N	417.409	1.686	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)Cc3ccccc3)C2)s1	13007096	APKMQIHAFAYWEX-INIZCTEOSA-N	421.544	1.847	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1	58881748	ZSVNRCOHCXFLRC-UFFVCSGVSA-N	419.821	1.989	50	40	HDGB	
N#CC1=C(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCC1	89780746	PAYKHLGTLHTVBE-UHFFFAOYSA-N	403.460	1.957	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(-c3ccccc3)[nH]n2)c1	7948405	UJVSAIDEBYAUSQ-UHFFFAOYSA-N	413.459	1.402	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(O)cc1	8404816	RZUUDLKOZYOZFX-SRZZPIQSSA-N	404.390	1.759	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1	59490271	FPODAZYITYQGSD-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
COc1ccc(C2=NO[C@H]3[C@H]2/C(=N/NC(=O)Cc2ccccc2)[C@H]2OC[C@H]3O2)cc1	108545733	VURJCWQVFAALEG-IMVODLRTSA-N	407.426	1.884	50	40	HDGB	
COc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)c1	408677471	BXPCTJCIXDGVIO-YTKNBERCSA-N	424.247	1.748	50	40	HDGB	
CCOC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccco1	2314868	NSYXCWYWACQNOH-MZLJFPOFSA-N	409.423	1.087	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1	19954645	WPXLNEUWLBHJJD-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)NCc2cccnc2N2CCOCC2)cc1OC	32795436	HYOJFKTVOSGYEB-UHFFFAOYSA-N	415.450	1.080	50	40	HDGB	
NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409262984	GMTZFQOQURZQDT-UWVJOHFNSA-N	421.207	1.985	50	40	HDGB	
O=C(COc1ccccc1F)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	5635950	PAAHCPPPCCALKH-UHFFFAOYSA-N	418.381	1.411	50	40	HDGB	
COc1ccc(CCNC(=S)NNC(=O)CCN2CCSC2=O)cc1OC	12945070	QOYKPMDSXMJCFO-UHFFFAOYSA-N	412.537	1.301	50	40	HDGB	
CCc1[nH]c(C(=O)NNC(=O)c2cc(Br)cn2C)c(C)c1C(=O)OC	16271212	GFKHEHQOKJZCIT-UHFFFAOYSA-N	411.256	1.848	50	40	HDGB	
CCc1noc(C)c1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	7779528	XHYUMVRCOULGRE-UHFFFAOYSA-N	410.224	1.926	50	40	HDGB	
O=C(NNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)C(=O)NC1CC1	32741391	AFECRAUJLLOEIL-UHFFFAOYSA-N	407.352	1.884	50	40	HDGB	
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(Br)c1	6168247	PQSBARFVMOMXKO-NOZJJQNGSA-N	401.261	1.058	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)c2ccc(CS(C)(=O)=O)cc2)nc2ccccc21	9912609	LYGRSOFKZPAOAI-UHFFFAOYSA-N	400.460	1.122	50	40	HDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2ccccc2OCC(=O)O)cc1	223156661	PTQOAABHCJWCTF-NHDPSOOVSA-N	413.386	1.416	50	40	HDGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)c2ccccc2c1=O	7380631	ICFUMKJYCMECRN-UHFFFAOYSA-N	416.459	1.438	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1	8167738	OREVRVUTYPRJGC-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc2sc(=O)oc12	15230987	ZQZANCRLMLGBKK-DJKKODMXSA-N	410.415	1.667	50	40	HDGB	biogenic
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C)cc2)c1	33745353	SIZCZQXCPNWQLH-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc2c(c1)OCO2	35352499	HABYUKJDHVACNG-NDENLUEZSA-N	403.460	1.370	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)NCc1ccco1	58873788	RLUZLGNSULNQRL-BHGWPJFGSA-N	424.413	1.334	50	40	HDGB	
O=C(O)COCCOCCOCCOCCOCCOCCCCCCCl	1592055902	OFDMELCRHFYNRK-UHFFFAOYSA-N	414.923	1.970	50	40	HDGB	
O=C(N/N=C/c1ccc(Cl)cc1)[C@@H](O)[C@H](O)C(=O)N/N=C/c1ccc(Cl)cc1	3166182	RZCYJYNVTIBMMF-JQVAJTLPSA-N	423.256	1.316	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1	104644328	AMOVIYBIJCLWQS-JXAWBTAJSA-N	413.455	1.994	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3c(c2)CCCC3)cc1	4088539	YBRDRZBNXQNPMR-UHFFFAOYSA-N	401.488	1.891	50	40	HDGB	
O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1ccccc1F	5119519	XASZQGNYHHWPOW-YDZHTSKRSA-N	412.421	1.916	50	40	HDGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c2ccccc21	409340123	QTRUSENSFXPTNQ-HEHNFIMWSA-N	420.878	1.603	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NNC(=O)c1ccccc1)c1ccccc1	100519944	NRASRDNMEKWQOT-RDGPPVDQSA-N	418.453	1.347	50	40	HDGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c1	408787368	YSWPSKCLSSMTRM-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
O=C(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)NCc1cccnc1	20479360	QZXSXVXSCUBWRI-ZVBGSRNCSA-N	419.235	1.729	50	40	HDGB	
O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1ccncc1	32119020	SZHHNZMWMLWAPN-UHFFFAOYSA-N	424.236	1.702	50	40	HDGB	
C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccccc2)nnn1-c1nonc1N	34780079	XVJMWKJQXRVDRD-PJICWNCHSA-N	409.454	1.371	50	40	HDGB	
C/C(=N\NC(=O)c1c(I)cnn1C)c1cc(O)ccc1O	101532211	RJLPOIKXDZQAIL-FRKPEAEDSA-N	400.176	1.590	50	40	HDGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)N1CCOCC1	408960562	GXADLAPXUHSJFH-LGMDPLHJSA-N	408.458	1.266	50	40	HDGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@@H]1c1ccccc1	409124204	AHYRPRGOJBXNAD-DLBZAZTESA-N	415.471	1.016	50	40	HDGB	
O=C(COc1ccc(C(=O)N/N=C/c2ccncc2)cc1)N/N=C/c1ccncc1	3218555	JXARFASPHOOGOY-GUJRAXHGSA-N	402.414	1.770	50	40	HDGB	
COCCNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)c(C)c2)o1	9059413	JEDCKNSKPHGXKO-WJDWOHSUSA-N	424.457	1.821	50	40	HDGB	
CCCc1c(C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)nnn1-c1nonc1N	9479577	XAGAATLOKKUREW-UFFVCSGVSA-N	411.426	1.297	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1	33408476	ROGVSYYZXWHQMR-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
CCOc1cccc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1OCC(=O)O	33774390	ZFLZPKQGKHHGDI-GXHLCREISA-N	405.367	1.112	50	40	HDGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc(O)nn3)cc2)n1	36684918	KTLYHYRKLJELRH-UHFFFAOYSA-N	410.459	1.956	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@]2(C)[C@@H]3CC[C@]2(C)C(=O)[C@@H]3Br)CC1	100891996	FYPXPXUQTCUDRK-RRCSTGOVSA-N	407.374	1.723	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc([N+](=O)[O-])c1	408739431	BVKNJZVLTGYPAW-LEBHLANCSA-N	411.399	1.375	50	40	HDGB	
COc1cccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3Cl)C2=O)c1	2383301	JODTZCSARIRYSK-GXDHUFHOSA-N	414.805	1.750	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1	6440674	BINVXCBTDGOEMB-LSHDLFTRSA-N	418.837	1.562	50	40	HDGB	
O=C(NCc1ccco1)C(=O)NNC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1	12893672	KKTUQUTYHJCSBI-YHWZYXNKSA-N	409.533	1.656	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc3c(c2)OCCO3)cc(OC)c1OC	59516222	ZWYBHNLIUOBZSL-SRZZPIQSSA-N	415.402	1.572	50	40	HDGB	
CC(C)[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccccc1	13007975	VTJQOLFEIYTKLG-INIZCTEOSA-N	400.460	1.211	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1	58881791	RMVXRTMKLXFVES-UFFVCSGVSA-N	419.821	1.989	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1Br	409088536	GAWKAGIVBGTFMI-GFCCVEGCSA-N	418.251	1.106	50	40	HDGB	
O=C(Cn1ncc2ccccc2c1=O)NNC(=S)Nc1ccc2c(c1)OCCO2	1443545	MKNQYSPLBUDZEL-UHFFFAOYSA-N	411.443	1.186	50	40	HDGB	
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1	6081809	QTJSSIGOIPPWPF-KRWDZBQOSA-N	409.442	1.606	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1C	408787404	ZNPPJYIPFMGTJC-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1	6953823	HDPAWLQKDJIUBB-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)NNC(=O)COc1ccccc1Cl	14241279	GXMBTVZPYWXEBA-STQMWFEESA-N	405.838	1.208	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1O	19955461	SBQFXLUEAAFAOB-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(O)cc2O)c1-c1cccs1	1873075	IOVKSKNNGKKZQQ-CNHKJKLMSA-N	412.391	1.136	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1	6307037	OIIDHWMJVCQCLV-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
C[C@@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)NNC(=O)c1ccc(F)cc1	8130590	NHXMJSCAYVDCNY-SNVBAGLBSA-N	402.411	1.449	50	40	HDGB	
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1cccc([N+](=O)[O-])c1	9725787	AJVVZNJFBXBCED-UHFFFAOYSA-N	418.715	1.890	50	40	HDGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2cnn(C(C)C)c2)c2ccccc2c1=O	72295575	WQCIHXZNNWUDEQ-UHFFFAOYSA-N	418.479	1.207	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc(F)c(F)c1	102675962	YEGJZIXRCYVNBI-ZBQKXELDSA-N	407.398	1.657	50	40	HDGB	
O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc([N+](=O)[O-])cc1	408732273	TUEZNUACUMHUPP-OMCISZLKSA-N	417.234	1.881	50	40	HDGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ncccn1	4892831	PADHABJMXCQDJV-UXRPAEDSSA-N	401.058	1.759	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1C(=O)O	9422876	FKDWWFPXIQFKNF-LGMDPLHJSA-N	410.430	1.222	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CCNC(=O)c2ccccc2)cc1CN1CCOCC1	20790275	KATYMGJLIQGXBP-PCLIKHOPSA-N	424.501	1.798	50	40	HDGB	
O=C(COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1)NC[C@H]1CCCO1	58883280	OIHFWWFRXBGTHY-GEUHTFEZSA-N	411.458	1.890	50	40	HDGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)c1	409155672	QXNVAYFNARNWBO-OEAKJJBVSA-N	424.457	1.321	50	40	HDGB	
CCOC(=O)N1CCC(NC(=O)CCC(=O)NNC(=O)c2cccc(F)c2)CC1	4681752	YPBNZLRHZKZSDD-UHFFFAOYSA-N	408.430	1.104	50	40	HDGB	
CCOC(=O)[C@@]1(C(F)(F)F)C(C#N)=C(N)N=C2NNC(c3ccc(OC)cc3)=C21	5285429	LBCYUKQSRXSKKW-QGZVFWFLSA-N	407.352	1.732	50	40	HDGB	
Cc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C	7593641	HGPBKAYGYMNPLL-UHFFFAOYSA-N	405.476	1.394	50	40	HDGB	
O=C1COc2ccc(S(=O)(=O)NNC(=O)c3cc4c(s3)CCCCC4)cc2N1	14849847	BPICQVOSEWZBAS-UHFFFAOYSA-N	421.500	1.971	50	40	HDGB	
O=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)C(=O)NC1CC1	39981915	BCGONIFGWXXHRQ-UHFFFAOYSA-N	407.430	1.041	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	408530986	GCWGZUUSUJTADI-ZTBJCTOSSA-N	421.413	1.568	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C)c1	6478837	KJBZYQKCRRMXEH-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	104800585	QRDICMLIQYLTGQ-LAVRXKQUSA-N	403.435	1.585	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccn2)c1CNc1ccccc1	2201520	NJSDOQXBHJCBCR-LSHDLFTRSA-N	404.394	1.004	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccnc2)c1CSc1ccccc1	2415030	LHABYPFKNHMJCJ-UFFVCSGVSA-N	421.446	1.684	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	4525712	KEOZQWKGWUMAGM-NUGSKGIGSA-N	408.336	1.658	50	40	HDGB	
C[C@@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	9883788	HFEWGTMMIXIPMY-CQSZACIVSA-N	420.425	1.955	50	40	HDGB	
CCOC(=O)NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F	28636810	JSRCJEVAZGQUCB-HNNXBMFYSA-N	409.439	1.493	50	40	HDGB	
Cc1cc(Br)ccc1N1C[C@H](C(=O)NNC(=O)c2cccnc2)CC1=O	32779910	SQYJAELYLMEYTK-CYBMUJFWSA-N	417.263	1.967	50	40	HDGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	35352682	RPXFCSLELPEROU-BKUYFWCQSA-N	414.418	1.969	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc1)Nc1ccccc1	58873818	WVTZTWKCGSGKBE-NZYROCMPSA-N	424.457	1.449	50	40	HDGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl	59246633	OIHKAOLJIYLSRV-UKWGHVSLSA-N	418.277	1.718	50	40	HDGB	
COc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	101322290	RTOZDALXZCTOGM-NVUJPHMASA-N	424.247	1.748	50	40	HDGB	
Cc1cc(CC(=O)NNC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)n[nH]1	1643655089	GMPHMSMDLVDCBW-UHFFFAOYSA-N	411.368	1.995	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1	3663313	PJRXJQGICPIIHS-KEBDBYFISA-N	419.361	1.572	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2C(=O)O)cc1C	16282956	YRFOEBGHUONUBS-JAIQZWGSSA-N	419.459	1.473	50	40	HDGB	
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=S)NC[C@H]1CCCO1	22617626	GWFHGZMUVSFANM-SECBINFHSA-N	412.821	1.195	50	40	HDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)NC2CCCC2)C1	72306860	QXLIJTZMQQUVTA-KSSFIOAISA-N	416.478	1.338	50	40	HDGB	
COc1ccc(C(=O)N/N=C2/C(=O)N(CN3CCOCC3)c3ccccc32)cc1OC	2260682	HIAYYONCOCGLJP-BSYVCWPDSA-N	424.457	1.474	50	40	HDGB	
CN(CCCC(=O)NNC(=O)c1ccncc1)S(=O)(=O)c1ccc(Cl)cc1	6356961	OVZUNCUNUNXMIH-UHFFFAOYSA-N	410.883	1.597	50	40	HDGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC)cc2OC)cc1	8086118	RSYJCWOWVAOZBE-FSJBWODESA-N	412.446	1.471	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1O	408529210	CKXFTGKYORVYET-PCQWDSEFSA-N	400.778	1.660	50	40	HDGB	
CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)CCc2ccccc2)CC1	4696094	YOXNOQWAASPODM-UHFFFAOYSA-N	403.479	1.349	50	40	HDGB	
COC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1	12933394	MPKNNGNWZJMBHS-UHFFFAOYSA-N	416.253	1.198	50	40	HDGB	
CCS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cccc(Cl)c1	9457524	ADQBLGDZRLKGJX-QGZVFWFLSA-N	421.906	1.878	50	40	HDGB	
COc1ccc(/C=N\CCC[Si]23OCCN(CCO2)CCO3)c(OC)c1OC	231976350	UAYAZZQOHLSPHV-HKWRFOASSA-N	410.543	1.839	50	40	HDGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccncc3)c(C)c(C#N)c2=O)cc1	409059581	QUXZODSLLQSNQQ-CFRMEGHHSA-N	402.414	1.970	50	40	HDGB	
CN(CCN(C)c1ccc([N+](=O)[O-])c2nonc12)C(=O)CI	14983418	NIYRYQYZEATYFF-UHFFFAOYSA-N	419.179	1.461	50	40	HDGB	
O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)NNC(=O)c1ccccc1F	27068241	IGWZBKIBHPKDGL-NRFANRHFSA-N	410.405	1.370	50	40	HDGB	
CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)c3ccc(OC)cc3)C2=O)cc1	1440062	ZGZZXZXXEKQRTO-KRWDZBQOSA-N	411.414	1.438	50	40	HDGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c2ccccc21	409346984	PAOLZYBMAKLSHP-HEHNFIMWSA-N	404.423	1.089	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccsc2)c1-c1ccc2c(c1)OCO2	2448862	MMXLNIMZIOWJRE-KPSZGOFPSA-N	424.402	1.454	50	40	HDGB	
O=C(CN1C(=O)CCOc2ccccc21)NNC(=O)c1cc(Br)c[nH]1	8123510	RMOICDFDZSMGLW-UHFFFAOYSA-N	407.224	1.354	50	40	HDGB	
CCc1sc(C(=O)NNC(=O)c2ccc3c(c2)[nH]c(=O)c(=O)n3CC)cc1C	9885469	VCGNYVGZKSYECP-UHFFFAOYSA-N	400.460	1.717	50	40	HDGB	
O=C(N/N=C\C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C/c1ccccc1	17315566	LIXQPTNMBCCLLW-BXEMVTABSA-N	406.442	1.339	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1[N+](=O)[O-]	20207738	YKBYBKJVHVNDKH-YBFXNURJSA-N	420.447	1.828	50	40	HDGB	
N#CCOc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br	59246574	JFBBFFJGDAGHEU-OCKHKDLRSA-N	415.675	1.787	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	409028627	QTEYRWNPSICEFG-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc2c(c1)OCCO2	3430507	FYZCASSDKNDYDM-UHFFFAOYSA-N	410.474	1.431	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc(OC)c1OC	409132448	XZIBCGXXJJFZAQ-UDWIEESQSA-N	421.475	1.872	50	40	HDGB	
COc1ccc(OC)c(N2C(=O)C[C@@H](NNC(=O)c3cccc(Cl)c3)C2=O)c1	2280448	LISYNLZTPGQVOW-CQSZACIVSA-N	403.822	1.924	50	40	HDGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O)c1ccc(Cl)cc1	2369351	ARHSFGBECATSET-CQSZACIVSA-N	401.806	1.678	50	40	HDGB	
C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	12548200	ZXTQIOGNHIHYDH-AWEZNQCLSA-N	419.485	1.950	50	40	HDGB	
C[C@H](NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccccc1	408686246	RDNUOSFCSHDUFE-NRRPIPMXSA-N	422.275	1.978	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1	6509857	ZAHGZTIUHBYLEA-UHFFFAOYSA-N	419.507	1.136	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1	20212330	XVJIVTNVYAUHDM-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12	4517051	XSHNRDLZJRMUJK-OAQYLSRUSA-N	411.414	1.253	50	40	HDGB	
O=C(COC(=O)c1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccc(Cl)cc1	6605921	YXQSYDMTRCGYJZ-UHFFFAOYSA-N	400.778	1.195	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccccc1)c1ccc2c(=O)n3c(nc2c1)CCCCC3	13073650	RGXCHRSTNZDXEF-UHFFFAOYSA-N	412.471	1.746	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)c1	13347295	QNUSPLCHHYCCFL-UHFFFAOYSA-N	414.823	1.679	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	16321291	IIFGBSSDHJSVQJ-UDWIEESQSA-N	418.475	1.424	50	40	HDGB	
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CC(C)C	22519861	TYRUZUUEHSMFOD-CQSZACIVSA-N	421.972	1.934	50	40	HDGB	
O=C(NCCN1CCOCC1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	59483226	SYCMTMQBPMFWBN-PCLIKHOPSA-N	404.470	1.892	50	40	HDGB	
O=C1OC(=O)[C@H]2[C@@H]1C1C(c3ccccc3)=C(c3ccccc3)C2(O)[C@H]2C(=O)OC(=O)[C@H]12	73315719	GWQMHYUJTIVKRW-WTUXKAHUSA-N	416.385	1.604	50	40	HDGB	
N#CC(C(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)=C1Nc2ccccc2N1	103126010	SNTBZHKNPIEXSD-OKILXGFUSA-N	422.441	1.937	50	40	HDGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21	5014776	YZPPLYCNUNEVAM-QIPHDZALSA-N	410.474	1.606	50	40	HDGB	
CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	6510441	SSPMJIXMHBNJBB-GFCCVEGCSA-N	405.432	1.321	50	40	HDGB	
CCOc1ccccc1OCCCC(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	12686686	SNDVFYLCUAJDDE-UHFFFAOYSA-N	424.457	1.952	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)cc1	14245571	QUAGHLPITCMVHT-UHFFFAOYSA-N	419.503	1.750	50	40	HDGB	
COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3cccs3)C(C(=O)N(C)C)=C2S1	8713757	LJMWBHHOPPQANT-ZDUSSCGKSA-N	416.484	1.471	50	40	HDGB	
CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	100904362	JJEHZKSDDBQEDH-QGSQVHNNSA-N	409.398	1.257	50	40	HDGB	
COc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	101312801	FJLWIBJGDZUZGT-URAGBOGZSA-N	404.897	1.544	50	40	HDGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)cc1	409260523	RMXBUUDORURUFP-YDZHTSKRSA-N	424.457	1.832	50	40	HDGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)N(CC(=O)OCC)c1ccccc12	1756568	WDSHPPHWXDBRIP-QFIPXVFZSA-N	423.425	1.561	50	40	HDGB	
CCNC(=O)/C(C#N)=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC)cc1	11907359	YTJUZWBSKREOMU-VXRHDYLLSA-N	420.516	1.314	50	40	HDGB	
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408651248	CUCVEWPURLROCQ-YJBOKZPZSA-N	409.442	1.601	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(=O)N1CCOCC1	1066050	JHQXKHAQHBPDRB-QGZVFWFLSA-N	411.418	1.776	50	40	HDGB	
N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)n1	3666106	JPCZROFSJIXMAN-AWQFTUOYSA-N	410.781	1.924	50	40	HDGB	
COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21	4575390	PRXPTQXGIHQTOO-XYSGSMRZSA-N	424.501	1.996	50	40	HDGB	
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NNC(=O)c1ccncc1	9108930	SWLFTSOMIFUHLC-FOWTUZBSSA-N	401.382	1.636	50	40	HDGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c1	20208577	QCCXAJJVLZBEQO-CIAFOILYSA-N	417.487	1.991	50	40	HDGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccccc2)cc1CN1CCOCC1	20789734	YLFSOTAPFKLEIE-HIQXPHMNSA-N	424.501	1.796	50	40	HDGB	
CN1C(=C(C#N)C(=O)CCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)N(C)c2ccccc21	40151327	LVASJXRFZNLQBP-CQSZACIVSA-N	416.503	1.303	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)c1	408784270	PZAKRFIXLDXPCN-DEDYPNTBSA-N	421.475	1.716	50	40	HDGB	
N#C/C(=C\c1cn(CC(=O)N2CCOCC2)c2ccccc12)C(=O)NC[C@@H]1CCCO1	409200528	MDOQGPUFIKXTSN-WPNIOXTASA-N	422.485	1.702	50	40	HDGB	
O=C1N=C(S)N(c2ccccc2F)C(=O)/C1=C\NNC(=O)c1ccccc1O	2590751	ZTLLMMYUOFSARX-LUAWRHEFSA-N	400.391	1.509	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(N(C)C)cc1	9422326	FNSSWXHHEKIOJY-HKWRFOASSA-N	409.490	1.589	50	40	HDGB	
C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2Cl)c1	12910412	PDTWVJNOJUVSTD-UHFFFAOYSA-N	421.862	1.092	50	40	HDGB	
CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59959650	PEZSJEOOQVWJKE-LPYMAVHISA-N	402.495	1.879	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)NC1CCCCC1	59959952	RAOADWVLXSGJPI-HZHRSRAPSA-N	414.506	1.977	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1	103163670	FYPXPXUQTCUDRK-XRGAULLZSA-N	407.374	1.723	50	40	HDGB	
Cc1cc(O[C@H](C)C(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)cc(C)c1Cl	1404958	KNZHMOPXPZKHAK-OLZOCXBDSA-N	402.900	1.696	50	40	HDGB	
Cc1cc(C)n2nc(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)nc2n1	3341008	BWJQXWHEIRKPLJ-UHFFFAOYSA-N	401.408	1.203	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	4670377	QBAXSURITIYJNB-MFKUBSTISA-N	403.438	1.937	50	40	HDGB	
CCOc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCC#N)c3ccccc32)cc1	5967537	CNMQDNOSXMNDRU-QOMWVZHYSA-N	419.441	1.596	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)N1CCOCC1	8106501	JKULPJHSQKIYKE-YDZHTSKRSA-N	415.421	1.836	50	40	HDGB	
Cc1cccc(OCCNC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1	9502293	SAOQMMWBEFNRAN-UHFFFAOYSA-N	419.507	1.620	50	40	HDGB	
O=C(N/N=C(/COc1nsnc1N1CCOCC1)c1ccccc1)c1ccncc1	12136884	PMBFMILUVOMQAM-XLNRJJMWSA-N	424.486	1.983	50	40	HDGB	
O=C(N/N=C\c1ccc(S(=O)(=O)O)o1)[C@H]1COc2cc3ccccc3cc2O1	12362642	CDXLTDVRQXOMQK-OSSOMXAKSA-N	402.384	1.970	50	40	HDGB	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccc2c(c1)OCO2	12581969	HYGCAMMEJJHWCX-QGZVFWFLSA-N	408.414	1.405	50	40	HDGB	
O=C(COC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1	15223416	TTYPJHHVSCFWKV-UHFFFAOYSA-N	424.240	1.728	50	40	HDGB	
CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	15342794	TXKLBLIAZNURQT-CQSZACIVSA-N	412.402	1.808	50	40	HDGB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)C1CC1	17082153	GLIPTQXDDNTSPP-YBEGLDIGSA-N	401.379	1.165	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(N(C)C)cc2)CC1	59434062	PQOPAERRLGJNLN-XQNSMLJCSA-N	409.490	1.560	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)c(C)c1	409334249	VJWVAJUHXNCUCJ-ZBJSNUHESA-N	414.487	1.566	50	40	HDGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccco1	1920536	FAIWROMETSNNBT-RQZCQDPDSA-N	400.376	1.984	50	40	HDGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccc(-n4cnnn4)cc3)cc2)n1	6507566	UHBPSORNNHBSRW-UHFFFAOYSA-N	402.418	1.540	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O	408784494	CRRVHWFOYWJPKZ-YBFXNURJSA-N	420.447	1.828	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OCC(N)=O	4680400	UUECDAPGTREXNL-BHGWPJFGSA-N	412.446	1.138	50	40	HDGB	
Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	408537240	USYIEZQONMLYJQ-VYXQJKENSA-N	409.358	1.518	50	40	HDGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2ccc3c(c2Cl)OCO3)C(C#N)=C(N)O1	1026275	PCTANOUGUNMRIG-ZDUSSCGKSA-N	406.778	1.867	50	40	HDGB	
CCOC(=O)[C@]1(C(F)(F)F)C(C#N)=C(N)N=C2NNC(c3ccc(OC)cc3)=C21	16682298	LBCYUKQSRXSKKW-KRWDZBQOSA-N	407.352	1.732	50	40	HDGB	
COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)/C(C#N)=C(\C)N)C(C)C)c1	21670368	RPHWZKDSIKNVQQ-QIPRVMPFSA-N	403.435	1.327	50	40	HDGB	
C[C@@H]1C[C@H](N(C(=O)Nc2cccc(Cl)c2)N(C)C)[C@]2(C#N)C(=O)N=C(N)[C@@]12C#N	105826526	FVDDNPDEXUWISJ-NRYBGFRQSA-N	413.869	1.976	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1O	408905905	ASRISHSRCRFNJI-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	6506770	VSKIUDOFAFGCAD-UHFFFAOYSA-N	403.398	1.524	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1	6544424	IAKSQDMMJNXZAV-RGVLZGJSSA-N	407.423	1.383	50	40	HDGB	
O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)NNC(=O)c1ccccc1F	27068235	IGWZBKIBHPKDGL-OAQYLSRUSA-N	410.405	1.370	50	40	HDGB	
N#C/C(=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)C(=O)NCc1cccnc1	408788081	AURFFEODHBSWCS-ZNQKWNQWSA-N	420.469	1.979	50	40	HDGB	
COc1ccc(/C(C)=N\NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c(OC)c1	4414117	HUTMSRIAGCPWSB-QRVIBDJDSA-N	415.446	1.991	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2C)c2ccccc21	6075988	ISMKTQUGJZVXOF-DAFNUICNSA-N	408.458	1.767	50	40	HDGB	
O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc2c(c1)OCO2	23109249	ITXAAYAMEXGFSC-UHFFFAOYSA-N	409.373	1.839	50	40	HDGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1OCC	38785028	GCVJWKDLOOBZOI-NDENLUEZSA-N	424.295	1.642	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2	9423384	HWBYSHSSGBWCRW-ATDKOCKZSA-N	415.427	1.107	50	40	HDGB	
O=C(Cn1c(COc2ccccc2)nc2ccccc21)NNC(=O)c1cnccn1	11361960	FDTRXYDNYRSAFL-UHFFFAOYSA-N	402.414	1.867	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)CCc2ncc(-c3ccccc3)o2)c2ccccc2c1=O	12862170	CUOPMKOTSFKSBO-UHFFFAOYSA-N	417.425	1.982	50	40	HDGB	
COc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1OC	33668029	JKNGMHUIFXKKSJ-STZFKDTASA-N	419.503	1.658	50	40	HDGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)cc2)cc1OC	59224469	WRJBYJCVTISZNR-GZTJUZNOSA-N	409.442	1.834	50	40	HDGB	
CN(C)CCN1C[C@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CC1=O	78808966	YKCJXHRJAVZFOC-GOSISDBHSA-N	424.501	1.290	50	40	HDGB	
O=C(CCCCCCCC(=O)NNC(=O)c1ccco1)NNC(=O)c1ccco1	103548541	KOEUZSLCFUAVJB-UHFFFAOYSA-N	404.423	1.826	50	40	HDGB	
N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)C(=O)NC[C@@H]1CCCO1	2199887	YGGFPGDNPHXASC-MAUBAPBLSA-N	407.474	1.887	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c2ccccc2c1=O	12821726	UHKUGZIPCPOHET-INIZCTEOSA-N	422.441	1.566	50	40	HDGB	
CCCc1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1	12977678	RUGQTJFXTCRKFM-UHFFFAOYSA-N	410.521	1.556	50	40	HDGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)Cn3nnn(-c4cccs4)c3=O)cc2C1	9882899	DLSNJLQKSQELLS-JTQLQIEISA-N	418.504	1.138	50	40	HDGB	
CC(C)(c1ccc(OCOC(=O)NN)cc1)c1ccc(OCOC(=O)NN)cc1	1563136	RATMUHWLLBLEMV-UHFFFAOYSA-N	404.423	1.885	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C#N)cc2)ccc1OCC(=O)N(C)C	8745278	NMBLDEZVZAFAQP-ZMOGYAJESA-N	424.457	1.953	50	40	HDGB	
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)CCCl)CC4)ncnc32)cc1	9851270	HBKSOUAAWGAUQT-UHFFFAOYSA-N	415.885	1.887	50	40	HDGB	
C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1ccc[nH]c1=O	12984761	OWYJFNVAELKHPH-CQSZACIVSA-N	405.410	1.834	50	40	HDGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	14229650	IKXIUKMURDHIGK-UHFFFAOYSA-N	423.878	1.905	50	40	HDGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1OC	59516072	KODUMHXIUQOVCK-LPYMAVHISA-N	414.418	1.811	50	40	HDGB	
COc1cccc(C(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	102633239	OMZQOXFLCMSYFW-GBDRXRSFSA-N	409.232	1.992	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)ccc1O	108897987	YKGVWZYKXSXCJN-STZFKDTASA-N	419.503	1.745	50	40	HDGB	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1O	1086330	PNESNDRUGAKTIP-LZYBPNLTSA-N	420.203	1.609	50	40	HDGB	
C/C(=N\NC(=O)c1c(C)nnn1-c1nonc1N)c1ccc(Br)cc1	1434259	JTOOLXXHHHBGJR-REZTVBANSA-N	405.216	1.457	50	40	HDGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)c1	6607427	KYLVIYIFQALFFP-VXLYETTFSA-N	404.448	1.949	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H](C)NC(=O)COc1ccccc1	6998503	SKCNBRVZRVINRO-GFCCVEGCSA-N	405.838	1.693	50	40	HDGB	
COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN)[C@@H]3C)c1OC)OCO2	15085730	BODINVAMGHXIIG-SSDLBLMSSA-N	402.201	1.248	50	40	HDGB	
COc1c(O)cc(/C=N/NC(=O)c2ccncc2)cc1/C=N/NC(=O)c1ccncc1	16194636	KBUNAGYIIGOETH-DWGHPKEWSA-N	418.413	1.719	50	40	HDGB	
COCCNC(=O)/C(C#N)=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	5007956	UTVFEYMSCHHZLC-PTNGSMBKSA-N	403.460	1.736	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	6497013	NSGWENLTMJJZBI-FSJBWODESA-N	412.446	1.607	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1-c1ccc2c(c1)OCO2	9499689	QCEUWUFPPKTRAO-FBCYGCLPSA-N	424.402	1.454	50	40	HDGB	
COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC	100097115	QZXRBJFCCXWYEL-OAHLLOKOSA-N	413.430	1.587	50	40	HDGB	
O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1ccccc1	4079711	CEEXVTZMOHVHQF-HYARGMPZSA-N	414.487	1.351	50	40	HDGB	
O=C(CSc1ccc(Cl)cc1)NNC(=O)CN1C(=O)NC2(CCCC2)C1=O	8852437	FCWXVZZINYCUIS-UHFFFAOYSA-N	410.883	1.444	50	40	HDGB	
COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C/NNC(=O)c3ccncc3)C2=O)c1	38177804	PPDDITPSQXFUAH-RAXLEYEMSA-N	411.374	1.340	50	40	HDGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3CCO3)cc2)cc1	95445106	RRUVTEIIGRWANX-QGZVFWFLSA-N	419.459	1.436	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1O	32576950	GGFYUMIYIDHIJA-UCQKPKSFSA-N	412.490	1.677	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccccc1Cl	408648562	ZFTLFEBINZQXGG-GFCCVEGCSA-N	419.821	1.286	50	40	HDGB	
COc1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(OC)c1	716921	GTLFPFMPEFIZTK-LSHDLFTRSA-N	421.417	1.836	50	40	HDGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)cc1	3560863	FNKKUARVIHNSGP-UHFFFAOYSA-N	423.878	1.436	50	40	HDGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C1\C(=O)Nc2ccccc21	12082251	ZBHDXWLNDZZBAV-UHFFFAOYSA-N	407.455	1.809	50	40	HDGB	
COCCN1C(=O)C(=O)/C(=C(/C)NNC(=O)c2ccccc2O)[C@H]1c1ccccc1	102782030	HSIHQEWYENZATH-GDLUXTLDSA-N	409.442	1.700	50	40	HDGB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNC(=O)c1ccc(F)cc1	408528908	GGSVMIYBLILBIB-FMIVXFBMSA-N	402.769	1.880	50	40	HDGB	
O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-]	9234999	PBTBUMVHRXPUBB-PQEHDXSUSA-N	402.323	1.172	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	16309232	KEKXONDGQPWBBK-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C)o3)nnn2-c2nonc2N)cc1	2264691	ZNRGWOYYZOPDST-UFFVCSGVSA-N	422.405	1.964	50	40	HDGB	
C=CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)cc1OC	6581053	DQNCPTPBNQPHHW-DEDYPNTBSA-N	403.460	1.689	50	40	HDGB	
CCc1ccc(N2C[C@@H](C(=O)NNC(=O)COc3ccc(C#N)cc3)CC2=O)cc1	8350124	YOUWAVRRQIBFNP-KRWDZBQOSA-N	406.442	1.700	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1C	33649557	KHTGCVQGAOUFNC-ODLFYWEKSA-N	420.447	1.683	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)C(=O)Nc2cccc(Cl)c2)cc1	1579330	WAZUNRAJSBBOKB-UHFFFAOYSA-N	410.839	1.247	50	40	HDGB	
Cc1ccc(CN2C[C@H](C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)CC2=O)cc1	33028660	ZEOPHRSXGNOTNA-CQSZACIVSA-N	423.395	1.406	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)NNC(=O)c1ccccc1)c1ccccc1	100519941	NRASRDNMEKWQOT-QGFMHUBQSA-N	418.453	1.347	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(Cl)c(C(=O)OC(C)C)c1	101114842	GCJYHCXDPJCJQE-XQNSMLJCSA-N	418.837	1.874	50	40	HDGB	
COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	9449842	AJQWYZITHXTMBJ-ZCXUNETKSA-N	419.397	1.782	50	40	HDGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@@H]2C1	13471551	JIXQAZVNBFSOSA-TZIWHRDSSA-N	416.485	1.684	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C	408610598	OLXUHWJNLPDASO-ZMOGYAJESA-N	424.457	1.773	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(C)(=O)=O	408910328	JZWOOCKJMBBINL-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	3059009	UJTISNMIHQYHMI-UHFFFAOYSA-N	401.335	1.926	50	40	HDGB	
COCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1	6579813	DDXBSADRKMUDFK-OEAKJJBVSA-N	412.446	1.307	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C(=O)O)cc3)ccc21	13264814	ORNALTBMVKERGV-UHFFFAOYSA-N	402.432	1.686	50	40	HDGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2ccc3c(c2Cl)OCO3)C(C#N)=C(N)O1	1026277	PCTANOUGUNMRIG-CYBMUJFWSA-N	406.778	1.867	50	40	HDGB	
O=C1N=C(O)N(c2ccc(Cl)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1O	2269093	FXKJZBQIUZYRAB-LCYFTJDESA-N	400.778	1.651	50	40	HDGB	
CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C	4517066	FDDPLEAMFALPHN-NRFANRHFSA-N	411.414	1.253	50	40	HDGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)cc1	6327599	GDQVFIRPVHYRDN-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1	12993322	QXQROKSZBNVCRH-UHFFFAOYSA-N	410.521	1.528	50	40	HDGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O	22648775	ISEGORNQTFLQEM-JTQLQIEISA-N	401.316	1.621	50	40	HDGB	
COc1ccccc1CCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	6081390	JTIGGTMUMRERTD-UHFFFAOYSA-N	401.375	1.540	50	40	HDGB	
COC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccccc2[N+](=O)[O-])c2ccccc21	100283011	HTXXANBVNVCDAP-DYTRJAOYSA-N	412.358	1.014	50	40	HDGB	
CC(=O)NNC(=S)N/C=C1\C(=O)N(c2ccc(Br)c(C)c2)N=C1C	408533977	UJCMQXBYQJAAMB-GHXNOFRVSA-N	410.297	1.879	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O	408907146	LLAPDWSBSDNBLP-VXLYETTFSA-N	405.432	1.340	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/[C@H]2CC=CCC2)c1-c1ccc([N+](=O)[O-])cc1	9360862	MZHVVRKGIWHDGX-KKBVUKDESA-N	423.393	1.880	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408911259	MMYLMVDWOQYYEP-GNUZOCDUSA-N	403.460	1.778	50	40	HDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	58873332	IEQGKQNGADKURB-AFUMVMLFSA-N	410.474	1.604	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1	59434060	ZRFITTXSUXLLER-HZHRSRAPSA-N	424.457	1.281	50	40	HDGB	
COCCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21	4575385	PRXPTQXGIHQTOO-WPNIOXTASA-N	424.501	1.996	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccc(Cl)cc1	7940178	LGUBJFBPTSOZJG-CQSZACIVSA-N	421.881	1.825	50	40	HDGB	
CN(NC(=O)Nc1cccc(-c2nnnn2C2CC2)c1)c1cnn(C)c(=O)c1Cl	58131104	RVHYYVDUSPHFKD-UHFFFAOYSA-N	415.845	1.595	50	40	HDGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCOCC2)cc1	409171995	AKGJGRAJZGDMEK-OEAKJJBVSA-N	424.457	1.321	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccc(C)cc2)c2ccccc21	6075986	LFANTNQVFMANEV-DAFNUICNSA-N	408.458	1.767	50	40	HDGB	
CCCc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1	12937372	KACSIQPAPHBMRM-UHFFFAOYSA-N	424.548	1.864	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1	22040488	OFKCKIJNFUKKAH-UHFFFAOYSA-N	423.517	1.614	50	40	HDGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1	44944174	TUXIYEPYQIYKGQ-UHFFFAOYSA-N	418.475	1.340	50	40	HDGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccc(OC)c2O)cc1OC	59516070	ABJMECGXWXKLEU-YDZHTSKRSA-N	415.446	1.617	50	40	HDGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	408591268	SNCZYPGOIOVGAA-CIAFOILYSA-N	412.402	1.853	50	40	HDGB	
COc1ccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	5376842	FJLWIBJGDZUZGT-BVTOWSSGSA-N	404.897	1.544	50	40	HDGB	
COc1cc(/C=N/NC(N)=O)ccc1OC[C@@H](O)COc1ccc(NC(C)=O)cc1	5553985	WJMZENSQSYPQAT-CPHRPENTSA-N	416.434	1.475	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c(OC)c1	6441370	NNPNLQDGUTWQIM-UDWIEESQSA-N	405.476	1.616	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	8384326	HFTOGHAOYXXSPF-CPNJWEJPSA-N	420.447	1.910	50	40	HDGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	408844894	XAQAZHHCTJTCGI-FYJGNVAPSA-N	412.402	1.596	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1	6583574	ZTKUTXAKQORSDB-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1	6604327	UDMKXHRZRDBCKR-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc(O)cc1O	408730894	JXNYWWZZAYVFHL-FZSIALSZSA-N	404.235	1.384	50	40	HDGB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	408536678	XGJYTXMMMSPDJQ-RVDMUPIBSA-N	423.385	1.559	50	40	HDGB	
O=C(COC(=O)CCC(=O)NC1CCCCC1)NNC(=O)c1ccccc1Cl	8433741	OSQDSXLSDCTMPP-UHFFFAOYSA-N	409.870	1.873	50	40	HDGB	
N#C/C(C(N)=O)=C1\S[C@H](Cc2cccc(-n3cnnn3)c2)C(=O)N1c1ccccc1	96306127	ARXAOZHGCAZSJG-PBEQFFAXSA-N	417.454	1.574	50	40	HDGB	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)ccc1O	6607232	KATRWILMVJBFIT-KEBDBYFISA-N	405.476	1.755	50	40	HDGB	
COC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccccc2)c1	24261310	RIUAPNXZIFFCDK-UHFFFAOYSA-N	400.416	1.282	50	40	HDGB	
N#Cc1ccc(CS(=O)(=O)CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	40128984	MSWYFQLXWIQCEN-UHFFFAOYSA-N	415.515	1.837	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1-c1ccccc1	3098374	LXAZQAAQDVVTIH-ZVBGSRNCSA-N	418.373	1.392	50	40	HDGB	
COc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(C)=O)C2=O)cc1OC	5554919	MRXGSGOXODLMKV-NTEUORMPSA-N	409.489	1.462	50	40	HDGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	19953628	HDVQTDIMVZUNDS-HCZVKUGISA-N	420.447	1.908	50	40	HDGB	
COc1cccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	102633237	OMZQOXFLCMSYFW-ZZIDHEKVSA-N	409.232	1.992	50	40	HDGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c1	408773449	KVPSMPNUZGXLTR-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
CN1C(=O)/C(=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c2ccccc21	409338201	FQMZYOUEGIKMLZ-HEHNFIMWSA-N	404.423	1.089	50	40	HDGB	
O=C1Nc2ccccc2/C1=N/NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	5450631	AWJRKBAVUVINMF-UHFFFAOYSA-N	412.471	1.560	50	40	HDGB	
COC(=O)CN1C(=O)/C(=N/NC(=O)c2cccc(N3CCCC3=O)c2)c2ccccc21	8854708	IDNUWXFZQLNNJA-BSYVCWPDSA-N	420.425	1.467	50	40	HDGB	
CC1(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)OCCO1	28214512	DQWABJPXURUUHF-WSDLNYQXSA-N	401.419	1.578	50	40	HDGB	
COc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC	5532919	MSCKASQQZSGPBY-QDECMSLZSA-N	416.455	1.483	50	40	HDGB	
CN(CC(=O)N/N=C/c1cccnc1)S(=O)(=O)c1ccc(Br)cc1	16187212	ZLGXFZRULUAMEO-VCHYOVAHSA-N	411.281	1.615	50	40	HDGB	
NC(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)Cc1ccccc1	32988991	IUWFIFMXSSEGFU-MRXNPFEDSA-N	416.865	1.094	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)cc(Br)c1O	409247529	CUJPLEFJVBYZFL-YTTILGKYSA-N	414.256	1.299	50	40	HDGB	
COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)cc1	5563656	UQSVRWALFKCGIB-DAFNUICNSA-N	408.458	1.629	50	40	HDGB	
Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1n[nH]c2ccccc12	9506806	FWPHDBAGXCKFEM-UHFFFAOYSA-N	408.447	1.400	50	40	HDGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(C)(=O)=O	16347036	NZIQRLOUUQWANE-UHFFFAOYSA-N	420.878	1.887	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1OC	36020554	CIVSWDACXZPSMX-AWQFTUOYSA-N	402.363	1.198	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	59461552	MFMCRWMSXGJEET-XSFVSMFZSA-N	403.460	1.480	50	40	HDGB	
C[C@H]1CN(c2nccn3cnnc23)C[C@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	107158545	SZEVLLIXKMWYAK-SWLSCSKDSA-N	413.869	1.240	50	40	HDGB	
Cc1cc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)no1	408644439	FRZJTBWGCYWSGK-UHFFFAOYSA-N	422.825	1.750	50	40	HDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1	409321137	RSVGHXPLEJAECD-LSDHHAIUSA-N	418.427	1.117	50	40	HDGB	
COc1ccc([C@H](CNC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)N2CCCC2)cc1	575422772	OHFBTMAVHZDGPS-BBWFWOEESA-N	415.943	1.536	50	40	HDGB	
C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccccc1O	2520713	NQELIIFLTCIPRG-SRZZPIQSSA-N	404.390	1.759	50	40	HDGB	
COc1cc(C(=O)NNC(=O)C2CCCCC2)ccc1OCC(=O)N1CCOCC1	9513654	YAONWGGRQUZASJ-UHFFFAOYSA-N	419.478	1.274	50	40	HDGB	
O=C(CCCCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O	1878834	VTFWQVMCGXXZDV-XHQRYOPUSA-N	414.418	1.670	50	40	HDGB	
CN(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1	16187023	VRGCKDQTQUYATJ-DJKKODMXSA-N	409.851	1.840	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)ccc1O	20060360	KQYXUQGDQVPYHZ-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
CNC(=S)NNC(=O)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1	20366505	IMGKCKLJCFVGQH-ZETCQYMHSA-N	410.809	1.436	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1O	20493185	ZVDVJRCWJNVHAP-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(NC(=O)c2ccco2)cc1	409385861	KNZDLZSUTOFBAZ-MGBSGCIJSA-N	409.398	1.816	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCN3C(=O)c4ccccc4C3=O)ccc21	3292671	OAFNYFLJPQPHAF-UHFFFAOYSA-N	419.441	1.812	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	6578701	CRTOLTHDBFFBSX-LSHDLFTRSA-N	402.382	1.048	50	40	HDGB	
COc1cc(C(=O)NCC(=O)N/N=C/c2ccc(O)cc2O)cc(OC)c1OC	2277803	AERFIOSYAGAXTR-ZVBGSRNCSA-N	403.391	1.004	50	40	HDGB	
C[C@]12S/C(=N\[C@@H]3CCS(=O)(=O)C3)S[C@H]1CS(=O)(=O)[C@@H]2Br	12173907	QVZDWBIUSADKMV-BWKPFTAVSA-N	420.397	1.286	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(O)cc3)n2C)cc1	13126189	QPQRWBABCUWYAD-UHFFFAOYSA-N	413.459	1.750	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(C(=O)O)cc1	33774900	MDUOUYLLEVGBCG-JAIQZWGSSA-N	419.459	1.473	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O	408921891	KRMSZQYSGRQIPD-FYJGNVAPSA-N	416.459	1.514	50	40	HDGB	
CC1(C)Cc2cccc(OCC(=O)NNC(=O)NS(=O)(=O)c3ccccc3)c2O1	2582298	UOWIIVXHSOMNCW-UHFFFAOYSA-N	419.459	1.498	50	40	HDGB	
CSc1ccccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	12855046	HDZNOHIQIQESNA-UHFFFAOYSA-N	407.517	1.799	50	40	HDGB	
O=C(COC(=O)c1cc(Br)ccc1O)NNC(=O)c1ccccc1F	5743187	XGAAACRYZNCGLQ-UHFFFAOYSA-N	411.183	1.912	50	40	HDGB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)OC)C1	9501403	XEZVDRQJPZRISP-KFXIKWRMSA-N	424.457	1.862	50	40	HDGB	
O=C(CO/N=C/c1ccccc1)N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21	100585685	CMFNZAVAELMDJW-IPMWIHLISA-N	405.458	1.958	50	40	HDGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	3668369	VUYCADVBXMHEPE-ZIAGYGMSSA-N	404.404	1.781	50	40	HDGB	
O=C(COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1)NNC(=O)c1ccccc1	408665164	VAXHLWNCBPDIOA-UHFFFAOYSA-N	414.374	1.318	50	40	HDGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1	6543270	HVUPJFXFGJHODL-UHFFFAOYSA-N	417.443	1.275	50	40	HDGB	
O=C(COC(=O)c1ccc(F)cc1Cl)NNC(=O)[C@H]1COc2ccccc2O1	7656258	MRIMDGVPFKUQGW-OAHLLOKOSA-N	408.769	1.623	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c(OC)c1	59515968	SKMZOXCSNLJZFA-SRZZPIQSSA-N	417.418	1.818	50	40	HDGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1	408982769	ZAEVVJOVGWESHV-ZMPUUUETSA-N	412.446	1.878	50	40	HDGB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)CCCC(=O)O)cc12	5023274	MIOLLSHTFXTNPL-UHFFFAOYSA-N	406.391	1.699	50	40	HDGB	biogenic
CC(C)NS(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1	16073294	NTROUVOSHADNDS-UHFFFAOYSA-N	414.487	1.858	50	40	HDGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	19953642	CBAXHTVUVRCJKW-KZKLBEMASA-N	420.447	1.908	50	40	HDGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1	58873323	RLHKEDMENMIJGY-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC	2656260	WSMXUVJSVPBFHQ-OAHLLOKOSA-N	413.430	1.587	50	40	HDGB	
CCCCNC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	7348400	GQLWGIYSFKNDDL-AWEZNQCLSA-N	402.904	1.624	50	40	HDGB	
O=C(/C=C/c1ccccc1OC(F)F)NNC(=O)c1ccc(-n2cnnn2)cc1	22193164	YAORJVJQZIKKFZ-JXMROGBWSA-N	400.345	1.738	50	40	HDGB	
Cc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1	102550762	CEKKJMKYKPHWPW-REZTVBANSA-N	419.306	1.954	50	40	HDGB	
C[C@H](CCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O)SSc1ccccn1	118216160	ORKSBKSSOSUJOY-NXEZZACHSA-N	420.490	1.464	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1	408775164	ZLOWXOVXVKPOTK-RGVLZGJSSA-N	407.423	1.667	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	409130574	IBPWSHSCIZCYHT-WOJGMQOQSA-N	406.420	1.763	50	40	HDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OC)c(OCC(N)=O)cc1Cl	814147	AMTUZINQWIIGLW-MRXNPFEDSA-N	407.810	1.467	50	40	HDGB	
COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@@H](c3ccccc3)C(C(=O)N(C)C)=C2S1	1408470	JWLSYCMRYIJGLO-OAHLLOKOSA-N	410.455	1.410	50	40	HDGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCn2nnc3ccccc3c2=O)c1C	5674794	KWWDMGGCQAOWPI-GZTJUZNOSA-N	407.430	1.964	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)ccc1OCC#N	16196137	RCOSSQFTZCGKNY-SSDVNMTOSA-N	409.381	1.540	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1	408531927	HPANIFKCFJFSTQ-BTZNOAQDSA-N	410.386	1.319	50	40	HDGB	
O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1	4313572	IKHBCMHYYSEUHD-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
C[C@H]1Sc2ccc(C(=O)NNC(=O)Cn3nnc(-c4ccccc4)n3)cc2NC1=O	9509394	VQPPGVDAAJGSFM-LLVKDONJSA-N	423.458	1.234	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2cc(C(F)(F)F)nn2C)c(C(=O)O)c1OC	36621614	MISBWWYOLFDZBH-IFRROFPPSA-N	400.313	1.918	50	40	HDGB	
C=CCN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)c2ccccc21	101180803	XPKRBCKKXJLXJC-LKUDQCMESA-N	420.425	1.241	50	40	HDGB	
CC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C	4499602	XSQWZNBVITXXNO-CABCVRRESA-N	400.520	1.624	50	40	HDGB	
O=C(CN1CCCc2ccccc21)NNC(=O)Cn1cccc(C(F)(F)F)c1=O	25268177	HMWNYJREBYMJTM-UHFFFAOYSA-N	408.380	1.467	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)CCNC(=O)c2ccccc2Cl)c1	2619542	OEWKNOQXPUDKLK-UHFFFAOYSA-N	405.838	1.938	50	40	HDGB	
O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccc([N+](=O)[O-])cc1	9576705	RYYYAXCYDXGNBD-CTJICSLTSA-N	405.374	1.271	50	40	HDGB	
Cc1cc(C)nc(NNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1	11334501	HGRRREJLLLGTTP-AWEZNQCLSA-N	407.471	1.777	50	40	HDGB	
CCc1ccc(OCC(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1	15708073	XUQXUQITJYMNDV-UHFFFAOYSA-N	410.390	1.578	50	40	HDGB	
CCc1sc(C(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1C	32753457	WNULJEJQRDKGHU-UHFFFAOYSA-N	403.460	1.581	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)cc1OC	13775533	KLXHOUSJWQTYIV-QQTULTPQSA-N	424.457	1.709	50	40	HDGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OC)c(OCC(N)=O)cc1Cl	814145	AMTUZINQWIIGLW-INIZCTEOSA-N	407.810	1.467	50	40	HDGB	
N#CC(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)=C1Nc2ccccc2N1	6506987	ZUTKWRSRZDSKQI-UHFFFAOYSA-N	401.382	1.782	50	40	HDGB	
CCc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	6542838	OJFXMQQDMFGGGI-FYJGNVAPSA-N	416.503	1.978	50	40	HDGB	
COc1ccc(CCNC(=O)CSCC(=O)NNC(=O)c2ccc(F)cc2)cc1	8718318	WQHMZPFSJZEADV-UHFFFAOYSA-N	419.478	1.687	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccccc1C(N)=O	8992981	GUJARJUBEVERPE-LGMDPLHJSA-N	421.457	1.303	50	40	HDGB	
O=C(CCC(=O)OCCc1ccccc1)NC(=S)NNC(=O)c1cccs1	12137582	FPGGFXVEHVXHFW-UHFFFAOYSA-N	405.501	1.950	50	40	HDGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@@H]2C1	13479760	AXMLNTDMGIQQFP-TZIWHRDSSA-N	416.485	1.686	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)NC[C@H]1CCCO1	58880751	HOVYGPNISOZUMB-NZYROCMPSA-N	424.457	1.449	50	40	HDGB	
CCN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21	100192496	DUSRNVCYXWZWMQ-LYBHJNIJSA-N	410.430	1.321	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1	103163673	FYPXPXUQTCUDRK-LQKXBSAESA-N	407.374	1.723	50	40	HDGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1	6647825	RWWZTCKUIVPCHT-LPYMAVHISA-N	404.467	1.063	50	40	HDGB	
CS(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc(Br)s2)cc1	8421188	GJQRVRZMEVEQOF-UHFFFAOYSA-N	403.279	1.989	50	40	HDGB	
Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1C	13278767	OGKHLMZZEGEMNF-UHFFFAOYSA-N	406.416	1.396	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1	1056539	WYLMBCCFLMCSFW-SRZZPIQSSA-N	404.390	1.672	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN2CCC(C)CC2)cc1	3633141	ZXXKPOXSCRGECO-SSDVNMTOSA-N	423.481	1.537	50	40	HDGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1C	8039026	BLNRNKXRQCPLEZ-QGZVFWFLSA-N	409.442	1.661	50	40	HDGB	
Cc1cc(C(=O)OCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)c(C)n1-c1ccccc1	16047169	HIQLWTDPOYNHNX-SJORKVTESA-N	424.906	1.772	50	40	HDGB	
O=C(C[C@@H]1Oc2ccccc2NC1=O)NNC(=O)c1ccccc1Br	7913505	XLBBSTZMWQECAD-AWEZNQCLSA-N	404.220	2.000	50	40	HDGB	
Cc1occc1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F	14201131	ACPGJZXYKSFYSL-VIFPVBQESA-N	419.381	1.735	50	40	HDGB	
O=C(COc1ccccc1F)NNC(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O	16831571	MLYFAPNKPGFKTF-UHFFFAOYSA-N	421.734	1.886	50	40	HDGB	
CCc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1	409264869	GSDBRQYCAGLIQW-YDZHTSKRSA-N	408.458	1.995	50	40	HDGB	
CCOC(=O)Cc1[nH]nc2c1[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	663145	ABIURWMIYGFDTJ-HNNXBMFYSA-N	414.418	1.759	50	40	HDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])[C@@H](C(=O)OC)C(=O)N1	9109048	SYDMTBUTJSQBKL-UONOGXRCSA-N	405.388	1.239	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1OC	19954410	UACIMGKRYRUEQT-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	104764801	QLULZPOMAQAAHI-PTNGSMBKSA-N	410.407	1.546	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)c1	408771838	IPEKXBJLATVSDT-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
COc1ccc(CC(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1	2136028	ZMIPEDAZLLCDPW-UHFFFAOYSA-N	401.488	1.955	50	40	HDGB	aggregator
CCOC(=O)/C(=N/Nc1sc(C(=O)OC)c(C)c1C(=O)OC)C(=O)CCl	2679615	HDLVBBZLYRHVBL-LICLKQGHSA-N	404.828	1.769	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)c(F)c1	13682234	YEGJZIXRCYVNBI-UGMNDJHYSA-N	407.398	1.657	50	40	HDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1	409215146	XLVLFSBPJOSFFZ-BNCCVWRVSA-N	411.172	1.921	50	40	HDGB	
O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)NNC(=O)c1ccccc1	7940021	DNRINTNNFAPCLW-UHFFFAOYSA-N	409.320	1.805	50	40	HDGB	
Cc1ccc(C(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	8929740	WRTCDNUWNBGGGL-UHFFFAOYSA-N	413.386	1.871	50	40	HDGB	
CC(=O)Nc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1	9423779	IHSDOWKXWYIBJQ-ZHZULCJRSA-N	423.473	1.482	50	40	HDGB	
O=C(NNC(=O)c1ccc(Br)o1)c1csc(N2CCOCC2)n1	12803072	NMYJZNZZIFTBII-UHFFFAOYSA-N	401.242	1.410	50	40	HDGB	
COC(=O)COc1c(I)cc(/C=N/NC(C)=O)cc1OC	409015031	QZMWCEKLGRULKY-GIDUJCDVSA-N	406.176	1.322	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)cc1	6831706	IAMJELBYIMHWLC-UHFFFAOYSA-N	412.471	1.802	50	40	HDGB	
O=C(COC(=O)CSc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1F	9352340	HKLFFYLTKIBSSN-UHFFFAOYSA-N	407.379	1.830	50	40	HDGB	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)NNC(=O)c1ccc(Cl)cc1	36321683	BKHVRQWMQWFJTQ-UHFFFAOYSA-N	417.853	1.831	50	40	HDGB	
O=C(NN/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O)c1ccccc1O	4812676	VOBTZNXZTHQKFD-UKTHLTGXSA-N	400.391	1.938	50	40	HDGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)Cn1c(=O)cnc2ccccc21	13004677	NIKZUALWTDLKGM-UHFFFAOYSA-N	420.347	1.642	50	40	HDGB	
CC/C(NNC(=O)c1ccccc1O)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	13513065	AAQNRRWCWSRBAC-BMRADRMJSA-N	424.413	1.582	50	40	HDGB	
COc1ccc(C(=O)COC(=O)[C@@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	102633229	XMWQHFCXHPCYMB-GBDRXRSFSA-N	409.232	1.992	50	40	HDGB	
C/C(=N\NC(=O)CNC(=O)CNC(=O)c1ccccc1Cl)c1ccccc1O	4524356	AXTSLQGRDGAVOJ-FSJBWODESA-N	402.838	1.432	50	40	HDGB	
COc1ccc(C(=O)NC(=S)NNC(=O)c2ccncc2)cc1Br	6736690	GEWNTIIKRLDFAZ-UHFFFAOYSA-N	409.265	1.802	50	40	HDGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1S(=O)(=O)N1CCCCC1	17574065	NHGURGMQDUZZFC-UHFFFAOYSA-N	417.487	1.950	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)c1	6881811	NBWMHISCZBJDOH-UHFFFAOYSA-N	411.867	1.430	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCOc2ccccc2)cc1	9253503	GWOYBGCPHRZHDS-UHFFFAOYSA-N	405.476	1.232	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1OC	10216184	OWBMYYOIYVRYPR-GFCCVEGCSA-N	419.409	1.188	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CC#N)cc1CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	38555483	UEDDVLRDGRLRAV-NGTYWDBLSA-N	419.485	1.840	50	40	HDGB	biogenic
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCO2	40068914	XKFAFAKKSKYTME-LBPRGKRZSA-N	401.806	1.883	50	40	HDGB	
N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc21	5163577	OOGOYKBKXCLUEK-BWAHOGKJSA-N	409.833	1.851	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(F)cc1	6537848	SURZUDMCCLZTQV-FOKLQQMPSA-N	416.409	1.438	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc2ncccc12	8993378	UWNHJIROFDEEIS-FMNVXAMXSA-N	422.466	1.927	50	40	HDGB	
COCc1c(Br)c(C)n(CC(=O)NN=C2CCN(C)CC2)c(=O)c1C#N	32124594	FEALEMDKQUVJAJ-UHFFFAOYSA-N	424.299	1.135	50	40	HDGB	
CN1C(=C(C#N)C(=O)CCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)N(C)c2ccccc21	40151329	LVASJXRFZNLQBP-AWEZNQCLSA-N	416.503	1.303	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(=O)O	101345479	IJDDQFZJMUAWJQ-KMHUVPDISA-N	415.427	1.077	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1	408530985	GCWGZUUSUJTADI-CBVHTYNASA-N	421.413	1.568	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc([N+](=O)[O-])c1	3112320	FVEOTSWGCHHNOE-GZTJUZNOSA-N	421.391	1.322	50	40	HDGB	
C[C@]1(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)CC1(Cl)Cl	6058922	NDMVTARRHOXHGJ-CQSZACIVSA-N	409.653	1.993	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1[N+](=O)[O-]	20211689	CDNPFPDXZCROQW-VXLYETTFSA-N	424.410	1.659	50	40	HDGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)c1ccccc1	28214332	ZPXZIJQRTUHTHQ-LSPPGFKNSA-N	424.501	1.725	50	40	HDGB	
CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	6510440	SSPMJIXMHBNJBB-LBPRGKRZSA-N	405.432	1.321	50	40	HDGB	
COc1ccc(C(=O)N/N=C\[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1	408763377	NKSRZAGVVVGEQG-NBZOHKLQSA-N	410.455	1.783	50	40	HDGB	
O=C(N/N=C/c1ccc(S(=O)(=O)O)o1)C(O)(c1ccccc1)c1ccccc1	4503218	QOXXYKBFCSCITI-DEDYPNTBSA-N	400.412	1.913	50	40	HDGB	
CN(CC(=O)NNC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1	6550049	ULDGBDAUMZKFFX-UHFFFAOYSA-N	414.846	1.953	50	40	HDGB	
O=C(CCc1nc2ccccc2s1)NNC(=O)c1csc(N2CCOCC2)n1	9884008	VETUHRAGMBWWJH-UHFFFAOYSA-N	417.516	1.983	50	40	HDGB	
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1O	13000456	GLKCEJUEPUDXGU-UHFFFAOYSA-N	403.460	1.254	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)ccc1O	4502915	YFVLOIPOTRBUIZ-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	58873339	DCTHZGDPHMUXBW-CVKSISIWSA-N	424.501	1.647	50	40	HDGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	3085847	MQECCCIWCXZEGT-MBNTZHJCSA-N	406.420	1.421	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	13576041	GCBJKRQLRADHRQ-LQGKIZFRSA-N	412.362	1.720	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	408771362	HOHPDBKPCRXAMI-YBFXNURJSA-N	420.447	1.828	50	40	HDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9313983	BBQMMFUKBIEFNP-GOSISDBHSA-N	412.402	1.796	50	40	HDGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1	19953837	YWHVOMHIAIRHCZ-DZUMZMOTSA-N	419.459	1.698	50	40	HDGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OCC)c1	6647835	LBQPNLVSJUTIFQ-OEAKJJBVSA-N	418.494	1.453	50	40	HDGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccc(F)cc2)cc1	12811514	RVXHKPVVPXDHGR-UHFFFAOYSA-N	423.466	1.696	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(Br)cc2Cl)n1	12973745	WSFMHONBMSZDFB-UHFFFAOYSA-N	421.704	1.926	50	40	HDGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)NC2CCCCC2)c(OC)c1	100522978	RKWGAJYWZKFQJW-YDZHTSKRSA-N	404.467	1.973	50	40	HDGB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2[N+](=O)[O-])C1=O	408526166	ABPSWRVEQRDGQW-SDNWHVSQSA-N	423.385	1.559	50	40	HDGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]1C(=O)OC	9110652	MPBCWKKUIHHAEZ-HOTGVXAUSA-N	404.444	1.729	50	40	HDGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	58873011	PCPOSXRIUYGTOQ-QQXSKIMKSA-N	422.485	1.567	50	40	HDGB	
COC(=O)NNS(=O)(=O)c1c(Br)cc(F)cc1Br	72071275	WRFIAZOJQRSILH-UHFFFAOYSA-N	406.027	1.900	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCC(=O)N1CCOCC1	409013946	NZOLWJYKYGUWKJ-UCQKPKSFSA-N	412.446	1.482	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)cc(Br)c1O	5718450	LJYMDMFZEDYOLQ-UFWORHAWSA-N	410.224	1.913	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc3c(c2)OCO3)cc1	100752821	NXEMQFIYXLPHGU-FSJBWODESA-N	412.402	1.883	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc([N+](=O)[O-])cc1	108057152	RYXWFTDXCFRVPQ-AHURVMIPSA-N	413.321	1.349	50	40	HDGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCOCC3)c2C)c(C)c1	408931139	HQFVUGHGGLBTAR-YDZHTSKRSA-N	412.490	1.971	50	40	HDGB	
C[C@H](C(=O)N/N=C1/C(=O)N(C)c2ccccc21)N(c1ccccc1)S(C)(=O)=O	409338081	CRHNNGYNWHLXOG-HZDTVXMRSA-N	400.460	1.338	50	40	HDGB	
Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CCl)n2Cc1ccccc1Cl	728233	APCGIMCQBPXHPS-SNVBAGLBSA-N	415.302	1.817	50	40	HDGB	
COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	4110991	HMAAEUFHJLLLBP-JOCHJYFZSA-N	407.426	1.811	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	6430279	HQMREPGJUHWVKX-FSJBWODESA-N	400.410	1.820	50	40	HDGB	
O=S1(=O)C[C@H](NC(=S)OCC(Br)Br)[C@@H](Cl)C1	59568562	MBCWQHPYULWERD-WHFBIAKZSA-N	415.556	1.398	50	40	HDGB	
CCOc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)c2ccc(F)cc2)cc1	7652976	XVGJXZKOBZKQAN-UHFFFAOYSA-N	409.439	1.354	50	40	HDGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@@H]1C)c1ccncc1	25782040	USPDRFBYMMCRMD-CJVAQADSSA-N	424.469	1.156	50	40	HDGB	
COc1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC	31636949	ROEMVDFZWVQMFZ-ZCJKAFFOSA-N	414.418	1.321	50	40	HDGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(O)cc1	62728753	VMKKVUKVBOJQLY-XSFVSMFZSA-N	403.460	1.567	50	40	HDGB	
COc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1	138799955	SAEVHNFDSRQKGK-UHFFFAOYSA-N	413.430	1.808	50	40	HDGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(N)=O)cc1)c1ccccc1	408982766	ZAEVVJOVGWESHV-XNQWGTPPSA-N	412.446	1.878	50	40	HDGB	
CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21	4833611	DUSRNVCYXWZWMQ-CLCOLTQESA-N	410.430	1.321	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)N1CCOCC1	6674650	NAQARZOVRQDGAL-LPYMAVHISA-N	413.430	1.402	50	40	HDGB	
Cc1occc1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1C(F)(F)F	14201130	ACPGJZXYKSFYSL-SECBINFHSA-N	419.381	1.735	50	40	HDGB	
COc1ccccc1N1C(=O)/C(=C\NNC(=O)c2ccccc2O)C(O)=NC1=S	38167588	YAXOCHAEWUMOAP-BENRWUELSA-N	412.427	1.807	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@H]3Br)CC1	245253805	FYPXPXUQTCUDRK-SDADXPQNSA-N	407.374	1.723	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br	669842	UIQWRCYHLVXJFI-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2F)c1CNc1ccccc1	2203088	IAQXCDIKMDKTCJ-AUEPDCJTSA-N	421.396	1.748	50	40	HDGB	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)[C@@H]1COc2ccccc2O1	3369776	NJHIQCQGYLCVHO-KRWDZBQOSA-N	402.428	1.537	50	40	HDGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2	101316531	LOLHHKAKNUABRU-NPIBRGRTSA-N	402.881	1.251	50	40	HDGB	
COc1ccc([C@@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)NN2C(=O)CCl)cc1	5240984	WEZWGXGPJFOQDI-ZDUSSCGKSA-N	406.826	1.017	50	40	HDGB	
CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	83261028	IPXILPKIPGMRBW-YSMPRRRNSA-N	424.501	1.994	50	40	HDGB	
COc1ccc(CC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	409221277	NVNYAHHNAOUNHF-HAHDFKILSA-N	411.458	1.626	50	40	HDGB	
N#Cc1ccc(Nc2nc([C@@H]3CCCCN3Cc3cccc(B(O)O)c3)cs2)cn1	585294939	WGJBRQRSGSXSSW-FQEVSTJZSA-N	419.319	2.560	50	40	HDGB	
C[C@H]1C[C@H](N(C(=O)Nc2cccc(Cl)c2)N(C)C)[C@@]2(C#N)C(=O)N=C(N)[C@]12C#N	5534257	FVDDNPDEXUWISJ-NBDXPDJTSA-N	413.869	1.976	50	40	HDGB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC)CC1	5575865	MDPUDJRTYRATKV-FOWTUZBSSA-N	423.473	1.435	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCCOc2ccccc2)cc1	6508934	GDEIZNXBDPBEJR-UHFFFAOYSA-N	419.503	1.622	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccn1	408740496	GLLLGEUDPSFLBA-IDTCLIEOSA-N	401.835	1.515	50	40	HDGB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1O	2301255	FBEWBNFLVVXPGC-LCYFTJDESA-N	416.846	1.612	50	40	HDGB	
CC(C)C(=O)N1CCC(C(=O)NNC(=O)CNc2nc3ccccc3s2)CC1	12741834	FPOVRQHGWUEGEE-UHFFFAOYSA-N	403.508	1.750	50	40	HDGB	
O=C(CNC(=O)c1cccc(OC(F)F)c1)NNC(=O)[C@@H]1COc2ccccc2O1	21875227	OSUHWGPRSBBYHA-HNNXBMFYSA-N	421.356	1.005	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1Oc1nc(Cl)ncc1F	409007657	QBXSCRBUVHRLRY-LSFURLLWSA-N	423.832	1.852	50	40	HDGB	
CCOC(=O)c1sc(NC(=O)CSS(=O)(=O)O)c(C(=O)OCC)c1C	2746419	JSEPBNSTVBFHSQ-UHFFFAOYSA-N	411.479	1.884	50	40	HDGB	
O=C(NNC(=O)c1cccc(C(=O)NNC(=O)c2ccccc2)c1)c1ccccc1	3158347	DLRNNYGSBNPOSL-UHFFFAOYSA-N	402.410	1.836	50	40	HDGB	
CCOC(=O)c1cnc(S[C@H](C)C(=O)NNC(=O)c2ccc(C)cc2)nc1N	4125429	ZXVYNYGWKQVFJG-LLVKDONJSA-N	403.464	1.486	50	40	HDGB	
N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)NCc1ccccc1	408746560	FFUBHAVXFWFJDG-HKBKRHGFSA-N	404.451	1.817	50	40	HDGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1	2268259	JUMHHOKPYOZFLD-KRWDZBQOSA-N	402.403	1.979	50	40	HDGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2nnc(N)s2)o1	2323471	IHCLLQXQPJIFGW-QGMBQPNBSA-N	402.392	1.990	50	40	HDGB	
N#Cc1ccc(OCC(=O)NNC(=O)COc2ccc(Br)cc2)cc1	3266739	SFAAONZUQHWFTK-UHFFFAOYSA-N	404.220	1.926	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(OC)c2O)CC1	5586930	RVPOZKZEVHNHOB-HYARGMPZSA-N	412.446	1.208	50	40	HDGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	5915082	KXCNFTZCOJBEFC-OEAKJJBVSA-N	412.446	1.307	50	40	HDGB	
COc1cc(C(=O)NNC(=O)CSc2nnc3ccccn23)cc(OC)c1OC	9641567	ZXSDMRCAGBUMGY-UHFFFAOYSA-N	417.447	1.308	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCCC(=O)N/N=c2/sc3ccccc3n2C)cc1	10386512	FFDNIZIWGQMWOP-DYTRJAOYSA-N	404.517	1.849	50	40	HDGB	
Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NNC(=O)[C@@H](C)Oc1ccc(F)cc1	58102740	SDMACHCIIXXAAA-GFCCVEGCSA-N	409.439	1.318	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC)c1O)c1ccc(OC)cc1	59490260	DOLGRSSVGMYBRE-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	7653553	HKHYWIVGOOCBGW-WTNCMQEWSA-N	417.443	1.155	50	40	HDGB	
O=C(CCC(=O)NNC(=O)Cn1ccc2ccccc21)NCc1ccc2c(c1)OCO2	9805918	UMGROYDUYITSIW-UHFFFAOYSA-N	422.441	1.614	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1I	17090474	NUZHYVZCXLMOGD-UWVGGRQHSA-N	416.215	1.943	50	40	HDGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NNC(=O)c1cccc([N+](=O)[O-])c1	3322293	XOGASYWDBIFSLF-JTQLQIEISA-N	403.351	1.773	50	40	HDGB	
CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(F)cc1	3770060	NERKIEWTCIQVNU-GXTWGEPZSA-N	416.434	1.081	50	40	HDGB	
C[C@@]1(C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)CC1(Cl)Cl	6058928	NDMVTARRHOXHGJ-AWEZNQCLSA-N	409.653	1.993	50	40	HDGB	
CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1O	6539397	LXNMBMCEDBRTAR-UDWIEESQSA-N	405.476	1.870	50	40	HDGB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)CSCC(=O)O)cc12	11867897	UMMIIZYSJNSTPY-UHFFFAOYSA-N	424.431	1.262	50	40	HDGB	biogenic
COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN)[C@H]3C)c1OC)OCO2	15085735	BODINVAMGHXIIG-ANLVUFKYSA-N	402.201	1.248	50	40	HDGB	
CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1	8415595	CPRFRYUSFXPDRW-UHFFFAOYSA-N	411.414	1.612	50	40	HDGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1)c1ccccc1	13689642	AGQMQFPWIVMVTP-XKZIYDEJSA-N	418.417	1.966	50	40	HDGB	
CCN(CC)Cc1c(C(=O)N/N=C/CCc2ccccc2)nnn1-c1nonc1N	15162656	BKNYJRQXEURQGU-CIAFOILYSA-N	411.470	1.423	50	40	HDGB	
O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	252509173	YEEHNROCCBLHHO-PTXOJBNSSA-N	411.300	1.955	50	40	HDGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)c1	409150840	FBGXSCKODGEDOF-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1nn(CCO)c(=O)c2ccccc12	49574136	JDGNOQJVWCTVFQ-UHFFFAOYSA-N	410.474	1.366	50	40	HDGB	
C=CCn1c(Cl)c(/C=N\NC(N)=O)s/c1=N/S(=O)(=O)c1cccs1	4486339	GNMATWGHGMWVAM-IIPSHLCRSA-N	405.914	1.742	50	40	HDGB	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc12	6310530	YBENYOLHMUDQBU-GOSISDBHSA-N	410.382	1.468	50	40	HDGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C	12937782	LWUJKLSISXKIRW-UHFFFAOYSA-N	417.487	1.399	50	40	HDGB	
COc1cc(/C=N/NC(=O)CC#N)cc(I)c1OCC(=O)O	16195381	YGTRUMTUEUORKY-OMCISZLKSA-N	417.159	1.127	50	40	HDGB	
C[C@@H]1Oc2ccccc2N(CCC(=O)NNC(=S)NCCc2ccccc2)C1=O	16232553	MULGRAKJOHGZSZ-HNNXBMFYSA-N	412.515	1.929	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2OC)cc1C	16282972	IAPQNPNAJIGMMP-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(C)c2)cc1	16348943	SUCASPZXFWLYOY-UDWIEESQSA-N	402.476	1.724	50	40	HDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccc([N+](=O)[O-])c1	32795000	RFNZZWFUPAOTDR-INIZCTEOSA-N	408.414	1.898	50	40	HDGB	
CC(C)OC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccco1	33918663	IAMGFXQPRZCCET-HTRKUNOGSA-N	423.450	1.475	50	40	HDGB	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	40143161	LSNFIBCHGNDARZ-UHFFFAOYSA-N	421.523	1.580	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)c2ccc(Br)nc2)c2ccccc2c1=O	72309323	CMAIFWYFZDWJLV-UHFFFAOYSA-N	402.208	1.166	50	40	HDGB	
CCOC(=O)C(CC)(CCC(=O)NNC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC	8766646	LBYIRIAQBFHRIC-UHFFFAOYSA-N	423.422	1.659	50	40	HDGB	
CC(=O)Nc1ccc(-n2nnnc2SCC(=O)NNC(=O)C2CCCCC2)cc1	13510314	WJPBMSJSCJWMRG-UHFFFAOYSA-N	417.495	1.441	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2CO)cc1OC	59461558	GPVGQWGRASOWNX-UFFVCSGVSA-N	404.419	1.986	50	40	HDGB	
COc1ccc(CCN2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	101302914	CRRHYZXENZAUKK-HJUNTIBCSA-N	402.925	1.574	50	40	HDGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1ccccc12	12857279	LMNDITLJHOZVOV-NRFANRHFSA-N	409.398	1.537	50	40	HDGB	
CCc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1	409262233	GEEKXAIBBHONMX-YDZHTSKRSA-N	408.458	1.995	50	40	HDGB	
Cc1ccc(/C=C/C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1	3397147	KHUOKRYREMKHHE-BQYQJAHWSA-N	419.459	1.083	50	40	HDGB	
CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1	3770059	NERKIEWTCIQVNU-OCCSQVGLSA-N	416.434	1.081	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccccc1NCCO	9118108	ZSQMCEVMXPTUSQ-UHFFFAOYSA-N	421.837	1.371	50	40	HDGB	
C[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1	22789462	GOQDHTIYFPDRPX-HNNXBMFYSA-N	402.445	1.932	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)ccc1O	408777944	MSDGTFYBIYKVMT-RGVLZGJSSA-N	409.439	1.846	50	40	HDGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1	19953624	QXTDQEXMDORVIA-KZKLBEMASA-N	420.447	1.908	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccccc1Cl	20493213	QHCQQGYLZXSJQK-UHFFFAOYSA-N	406.851	1.579	50	40	HDGB	
C[C@]12S/C(=N/[C@@H]3CCS(=O)(=O)C3)S[C@H]1CS(=O)(=O)[C@@H]2Br	100925202	QVZDWBIUSADKMV-HSLUGDNMSA-N	420.397	1.286	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)cc1OC	408772991	ORNRRBGXTFNHQS-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
O=C(CCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-]	2673344	GZPOTIKWCYLCCZ-AYKLPDECSA-N	412.362	1.884	50	40	HDGB	
O=C(NCCc1ccc(Cl)cc1)NNC(=O)c1csc(N2CCOCC2)n1	40024081	VBLNTXRFFPRAKV-UHFFFAOYSA-N	409.899	1.820	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccccc1C(=O)O	8991571	LYCXECWVUROIIX-LGMDPLHJSA-N	422.441	1.902	50	40	HDGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3ccc(=O)n(C)n3)cc2)n1	9502698	FPFMTPICDURARJ-UHFFFAOYSA-N	424.486	1.554	50	40	HDGB	
O=C(CCc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)NNC(=O)c1ccccc1O	17575125	QPFKVIYBYXDTOH-UHFFFAOYSA-N	418.413	1.208	50	40	HDGB	
CCc1sc(C(=O)NNC(=O)CN(CCC(N)=O)c2ccc(OC)cc2)cc1C	32831490	DBGYTRISLHBXCQ-UHFFFAOYSA-N	418.519	1.771	50	40	HDGB	
C[C@H]1CN(c2nccn3cnnc23)C[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	79111550	SZEVLLIXKMWYAK-WFASDCNBSA-N	413.869	1.240	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1	408772645	DVBOVYXUKSBCQN-RGVLZGJSSA-N	407.423	1.529	50	40	HDGB	
CCc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	5037356	KRXORTVNRREITK-QGZVFWFLSA-N	409.442	1.606	50	40	HDGB	
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1O	9354878	FBEWBNFLVVXPGC-UKTHLTGXSA-N	416.846	1.612	50	40	HDGB	
COc1ccc(N2C[C@@H](C(=O)NNC(=O)COc3ccccc3F)CC2=O)cc1	40060243	AAFYOTDUULGKFF-ZDUSSCGKSA-N	401.394	1.414	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1	102399255	OUJTWZHSOHEPEG-DYTRJAOYSA-N	414.487	1.828	50	40	HDGB	
O=c1n(Cc2ccccc2)c(=O)n2n1[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br	221844629	JNSLTQBHEOJKMD-NNYUYHANSA-N	415.085	1.886	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccccc1Br	20214123	PMEJJFDDJJDLSC-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1	58873412	ROSOZXTVTHLVAJ-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3cccnc3)nnn2-c2nonc2N)cc1	2399351	WNFWYBAEJQCGAB-SSDVNMTOSA-N	419.405	1.457	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	2651312	ZYPBZIHYJFMMRY-UHFFFAOYSA-N	411.867	1.674	50	40	HDGB	
COc1ccccc1NC(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1	3342888	LCWGDXYRSIVGNS-UHFFFAOYSA-N	406.464	1.477	50	40	HDGB	
CCCC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	8398922	SQMVGLQCTVLJSD-UHFFFAOYSA-N	406.420	1.957	50	40	HDGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1	409258055	VZPFNSRPLGILEA-OEAKJJBVSA-N	418.494	1.069	50	40	HDGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)cc1	409268174	RBLVPYVXUAHFBW-YDZHTSKRSA-N	424.457	1.832	50	40	HDGB	
COc1ccc(/C=N/NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c1	3116001	AWYVXWCZUPODKN-QGMBQPNBSA-N	420.334	1.755	50	40	HDGB	
C/C(=N\NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1Cl	16804975	LBFRJJCTHRWWBY-ZVBGSRNCSA-N	423.260	1.281	50	40	HDGB	
CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1	20026640	YZPCEOPIXVAQGE-QGZVFWFLSA-N	415.471	1.951	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(F)cc1F	12921759	POIJIJZCDDZOGZ-UHFFFAOYSA-N	418.447	1.190	50	40	HDGB	
Cc1nc(=O)[nH]c(C)c1CCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	84019570	NWPRMKPQAZNILL-UHFFFAOYSA-N	424.461	1.071	50	40	HDGB	
O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccccc1	138997073	AKCNJRPSYYKLAH-UHFFFAOYSA-N	401.394	1.939	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccccc1C	6960931	NRDUOFWEVVHXQZ-FSJBWODESA-N	412.446	1.607	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(O)cc1C	8993639	ZWOWIWCIWBURGA-LWLPBDFMSA-N	401.444	1.392	50	40	HDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1	13021699	RIIYZGOUOIXBKY-DNVCBOLYSA-N	424.457	1.918	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)cc1	409027071	WQRYQQXAPISPEK-UDWIEESQSA-N	405.476	1.880	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1	8157549	DCVIIXORGDQFBL-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)ccc21	12532838	YOBNLVQESAHJEF-GJZGRUSLSA-N	409.446	1.077	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NN[C@H](C(=O)NC2CC2)c2ccccc2)c1	15510193	QMDXNKCYTYVQRL-SFHVURJKSA-N	416.503	1.191	50	40	HDGB	
O=C(NNC(=O)c1n[nH]c2ccccc12)c1cccc(S(=O)(=O)N2CCCC2)c1	6510817	VCDCCVLJESWJFD-UHFFFAOYSA-N	413.459	1.422	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1	6868095	HLINLPMQTKOGBA-FOKLQQMPSA-N	412.446	1.526	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc1	58873716	ILPREMSWBDHDAL-ZVHZXABRSA-N	410.474	1.399	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1	2132535	PGACOYSAJVJONV-UHFFFAOYSA-N	418.475	1.051	50	40	HDGB	
O=C(COC(=O)c1cnc(Cl)c(Cl)c1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2616341	JLLVIUIKJFPAJB-UHFFFAOYSA-N	413.173	1.915	50	40	HDGB	
COc1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C3c4ccccc4N=CN32)cc1OC	8878019	IEJGXIWLNUEFIR-IMQYADFFSA-N	420.429	1.380	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)COC(=O)CNC(=O)c2ccccc2Cl)cc1	13027526	OGJMCYFSWFHOSS-UHFFFAOYSA-N	419.821	1.083	50	40	HDGB	
C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408651247	CUCVEWPURLROCQ-QAPCUYQASA-N	409.442	1.601	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1cccc(Cl)c1	408778551	HCDMAOFALLIOSY-DJKKODMXSA-N	409.851	1.985	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccncc3)CC2)cc1	4217976	AIRBLHKKONETDU-UHFFFAOYSA-N	402.476	1.252	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCC(N)=O	6906894	TZOAOTFBRZKMNU-GOSISDBHSA-N	419.393	1.884	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	6953846	BZOKTDVMPNSECC-FSJBWODESA-N	412.446	1.607	50	40	HDGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2)c2ccccc2c1=O	13004862	ITKMWRDBNFZELY-UHFFFAOYSA-N	422.413	1.708	50	40	HDGB	
COCc1c(Br)c(C)nc(OCC(=O)NN=C2CCN(C)CC2)c1C#N	32124761	KOVNWJUJJMXXBF-UHFFFAOYSA-N	424.299	1.747	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)c1	408771832	KLXLPHCZWPCHOW-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1	409025309	PMCHUXVXUMDEPS-UDWIEESQSA-N	403.460	1.864	50	40	HDGB	
COC(=O)c1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1	9422912	LIJZDMTXZRPUTJ-RGEXLXHISA-N	424.457	1.310	50	40	HDGB	
C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccs1	13564416	UKJYTKBBGAKGQR-SILNSSARSA-N	420.560	1.903	50	40	HDGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O	15938654	YLUCSCVYBCAEQY-WICSTZCESA-N	402.794	1.934	50	40	HDGB	
Cc1ccc(N2CC[C@@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1C	53086155	MPZCJLKQKUIYDI-LPHOPBHVSA-N	409.442	1.644	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1	9459587	LMIGFQOKXSGDEU-SSDVNMTOSA-N	418.417	1.980	50	40	HDGB	
O=C(COC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NNC(=O)c1ccccc1F	104176128	RHSBBLIZWQXEPC-RKOMNEFPSA-N	404.438	1.851	50	40	HDGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cc(Br)ccc1F	5577136	YYXWOBOUGMNRTA-YAXRCOADSA-N	409.179	1.206	50	40	HDGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)c1ccccc1	28214335	ZPXZIJQRTUHTHQ-WORIPGKHSA-N	424.501	1.725	50	40	HDGB	
O=C(NNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1ccc(F)cc1	1345734	OAHNKPFGUWJOIW-UHFFFAOYSA-N	419.478	1.829	50	40	HDGB	
NC(N)=NS(=O)(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1	16429568	YJKCDDAAVMVADU-SSDVNMTOSA-N	412.431	1.068	50	40	HDGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)N1CCN(c2ccccc2OC)CC1	59434039	NUTRHDOQYOHLFB-XQNSMLJCSA-N	410.474	1.893	50	40	HDGB	
Cc1cccc(OCC(=O)NNC(=O)CCC(=O)Nc2nnc(CC(C)C)s2)c1	89677553	RMKHNJIOOSFXEC-UHFFFAOYSA-N	419.507	1.990	50	40	HDGB	
CCN(CC)S(=O)(=O)c1ccc(N/C=C2\C(=O)N(C)C(=O)C(C#N)=C2C)cc1	6032868	DGYUFNSBPXAOJB-ATVHPVEESA-N	402.476	1.852	50	40	HDGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c2ccccc2c1=O	7380636	CBWKBKHNVSOSPT-UHFFFAOYSA-N	400.460	1.738	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1	7784089	LEULWWUIDMNXER-YDZHTSKRSA-N	413.430	1.299	50	40	HDGB	
O=C(Cn1nc(-c2ccccc2)oc1=O)NNC(=O)c1ccccc1-n1cccc1	12557390	NPJRSOSCHKPFLA-UHFFFAOYSA-N	403.398	1.755	50	40	HDGB	
CCOC(=O)c1cc(C(=O)NNC(=O)c2ccc(OC)c(OC)c2)c(C)nc1C	3268203	KRKLKAHDNARXRU-UHFFFAOYSA-N	401.419	1.967	50	40	HDGB	
CN(C)Cc1c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)nnn1-c1nonc1N	3640428	AYGMIDHLSIMISU-QPSGOUHRSA-N	423.359	1.077	50	40	HDGB	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)Cc3c[nH]c4ccccc34)ccc21	14244409	YDMFDGIFTLEPAY-UHFFFAOYSA-N	405.414	1.195	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1	20060454	HSGNSHHKZYEJAQ-DEDYPNTBSA-N	404.492	1.678	50	40	HDGB	
CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	58873370	DWNCKXMGSXAHOX-MFKUBSTISA-N	424.501	1.789	50	40	HDGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	3573871	JYKFIUHTDDTTBW-RCCKNPSSSA-N	417.487	1.870	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)ccc1OCC(N)=O	8846389	KIGGOZYRESUKHK-QGZVFWFLSA-N	418.413	1.563	50	40	HDGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC	59516074	WWQGIWHICBYTOE-BUVRLJJBSA-N	412.490	1.969	50	40	HDGB	
O=C(/C=C/c1ccc2c(c1)OCO2)NNC(=O)CCN1CCN(c2ccccc2)CC1	5199587	VIMMODRMNHABEV-VQHVLOKHSA-N	422.485	1.788	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	408768175	COCIRMKNSAEGEQ-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
N#CCOc1ccccc1/C=N/NC(=O)C(=O)N/N=C/c1ccccc1OCC#N	2070552	GPROCARKECTGLX-RNIAWFEPSA-N	404.386	1.092	50	40	HDGB	
COc1cc(OC)cc(C(=O)NCC(=O)N/N=C/c2ccc(OC)c(OC)c2)c1	4079657	AMFZQWQEXDSGLE-SSDVNMTOSA-N	401.419	1.601	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1	19954718	KZTPOBJPWHKIMB-UDWIEESQSA-N	403.460	1.837	50	40	HDGB	
CCCCn1nc(C(=O)NNC(=O)c2snnc2CC)c2ccccc2c1=O	32821028	ZFWKVGKUYREHJS-UHFFFAOYSA-N	400.464	1.685	50	40	HDGB	
O=C1[C@H]2[C@H](C(=O)N1C[C@@H]1CCCO1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	102072201	ASXVCDWGBDBHTH-AOHYPGCWSA-N	407.102	1.943	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccccc1	409257449	OXJPDVOAHZLXJN-WSDLNYQXSA-N	410.430	1.441	50	40	HDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)C1CCN(C(=O)c2cccs2)CC1	12853107	ZOUCRMZTACBMNC-MRXNPFEDSA-N	415.471	1.588	50	40	HDGB	
Cc1ccc(N2CC[C@H](C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)C2=O)cc1C	53086152	MPZCJLKQKUIYDI-APWZRJJASA-N	409.442	1.644	50	40	HDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1	58881503	ZHKXJXOJUPRZNM-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
O=C(COc1ccccc1)NNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O	12920037	COVGBFTUDHKJES-UHFFFAOYSA-N	411.439	1.575	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3ccoc3C)C2)s1	30810758	LCUPPPKLQXYUIA-ZDUSSCGKSA-N	411.505	1.820	50	40	HDGB	
O=C(CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)NNC(=O)COc1ccccc1Cl	102837326	GXMBTVZPYWXEBA-CHWSQXEVSA-N	405.838	1.208	50	40	HDGB	
O=C(CCN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	102904443	CYNAJNBFRWPPKH-JAZNOTPESA-N	401.507	1.916	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(Br)cc1O	408973691	OVSXZGABFCRENH-YAXRCOADSA-N	412.200	1.727	50	40	HDGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409376914	BUWINJYPZLSSSG-VKQVCWQJSA-N	415.446	1.477	50	40	HDGB	
O=C1NC(=O)C(C[C@@H](Br)CBr)(c2ccccc2)C(=O)N1	1563806	OCUQAOIQMCIHNR-SECBINFHSA-N	404.058	1.839	50	40	HDGB	
CCN1C(=O)[C@H](C)S/C1=N/NC(=O)CSc1nc2ccccc2c(=O)n1CC	31895388	AVRQOBSJGKPFJG-XRYUAMCJSA-N	419.532	1.880	50	40	HDGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	58873306	ZXIKNDKTCDFHOW-ZVHZXABRSA-N	410.474	1.399	50	40	HDGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)c1	409176189	YLJCHONZQHHVSI-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)c1	12912711	ZGTPXYPTNWALRN-UHFFFAOYSA-N	411.505	1.177	50	40	HDGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)CCc3n[nH]c(=O)[nH]c3=O)cc2)cc1	31858885	OGSKBEAWLLNZTL-UUYOSTAYSA-N	407.430	1.429	50	40	HDGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)cc1	409267940	YDNLTOPHRFBRHI-WSDLNYQXSA-N	410.430	1.441	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21	5268467	ALICXIYSGUBHLV-INIZCTEOSA-N	405.458	1.312	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1)c1ccc2c(c1)OCCO2	12936992	YIJYWKLNNODMJO-UHFFFAOYSA-N	413.249	1.844	50	40	HDGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1O)S(C)(=O)=O	408771420	GTNBPGPPIFQBHV-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(N)=O)cc2)cc1Cl	2173210	KKMLTGSKEUDYEO-ZVBGSRNCSA-N	404.810	1.302	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc2ccccc2n1	40069135	WAYWADJQDCXUNV-LJQANCHMSA-N	424.482	1.849	50	40	HDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)NC2CCCC2)C1	72306859	QXLIJTZMQQUVTA-KBXCAEBGSA-N	416.478	1.338	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2cc(I)nn2C)c(OC)c1	1436490	NUSGBKJRLPGSDA-LZYBPNLTSA-N	414.203	1.806	50	40	HDGB	
O=C(COc1ccccc1)NNC(=O)CSc1nnc(COc2ccccc2)o1	7604892	JHUCKVOVWOMGDU-UHFFFAOYSA-N	414.443	1.967	50	40	HDGB	
C[C@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCN(Cc2ccccc2F)CC1	22789468	GOQDHTIYFPDRPX-OAHLLOKOSA-N	402.445	1.932	50	40	HDGB	
Cc1occc1C(=O)NNC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C	40071936	VZEXJKQFFFWYES-NRFANRHFSA-N	410.430	1.738	50	40	HDGB	
O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C/c1ccc(Br)cc1	2338695	SACWATKKXWFFMN-MSGYXIIISA-N	418.247	1.855	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1	6879474	NFXZQICHXHMJTQ-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1	8993392	RXEHOHBKGBPDRP-AQTBWJFISA-N	410.430	1.222	50	40	HDGB	
CC(=O)N/C(=C/c1ccccc1)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	36068178	RYFZMWAUNMKKEN-GZTJUZNOSA-N	415.833	1.821	50	40	HDGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c1	2710002	DSNYERAKRFTUQT-IBGZPJMESA-N	410.474	1.954	50	40	HDGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc2c1OCCO2	13070400	NPSLXPIYECYUHO-MDWZMJQESA-N	415.427	1.659	50	40	HDGB	
CN(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1ccc(Cl)cc1	16187153	MTJJVIWFZQMFJQ-VXLYETTFSA-N	409.851	1.809	50	40	HDGB	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(COc2ccc(F)cc2)o1	21959432	QUBMPKHAIDOPLF-LBPRGKRZSA-N	410.423	1.584	50	40	HDGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	28214330	NYDBSQRFLPRFAY-HYARGMPZSA-N	402.495	1.297	50	40	HDGB	
O=C(Cn1nnc(-c2ccccc2)n1)NN/C=N\OCc1c(F)cccc1Cl	28569894	KOXRXLHBQOFMGP-UHFFFAOYSA-N	403.805	1.914	50	40	HDGB	
Cn1c(=O)c2c(nc(SC[C@H](O)CCl)n2CCCc2ccccc2)n(C)c1=O	32937928	GFAWPOYSHLIPTM-CQSZACIVSA-N	422.938	1.758	50	40	HDGB	
Cc1ccsc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	10025642	BSTKYEXYUJNAOI-UHFFFAOYSA-N	409.489	1.152	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCn3c(=O)n(C)c4ccccc43)ccc21	14258857	PDYZZQBNMSZHGS-UHFFFAOYSA-N	420.473	1.869	50	40	HDGB	
O=C(NNC(=O)c1ccc2c(c1)CCO2)c1cccc(S(=O)(=O)N2CCCC2)c1	23109126	LNOQUJPYIRLTFU-UHFFFAOYSA-N	415.471	1.481	50	40	HDGB	
CCOc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OC	408994422	FXJREYIZAKOQPD-ZDLGFXPLSA-N	400.273	1.639	50	40	HDGB	
O=C(CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)NCc1ccccc1	8433557	FDZADZFBILTCCQ-UHFFFAOYSA-N	417.849	1.741	50	40	HDGB	
CN(C)CN1C(=O)/C(=N\NC(=O)c2ccccn2)c2cc(Br)ccc21	20215570	SHPCZCBQKMQDOQ-HKWRFOASSA-N	402.252	1.844	50	40	HDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc2c(c1)OCO2	40068916	BZYNFRNKZQEOHP-INIZCTEOSA-N	407.426	1.718	50	40	HDGB	
O=C(N/N=C/c1ccc(Cl)cc1)[C@H](O)[C@@H](O)C(=O)N/N=C/c1ccc(Cl)cc1	12559196	RZCYJYNVTIBMMF-ARGZDZLHSA-N	423.256	1.316	50	40	HDGB	
CCN1C(=O)[C@@H](C)S/C1=N\NC(=O)CSc1nc2ccccc2c(=O)n1CC	16958986	AVRQOBSJGKPFJG-AXWWIKHWSA-N	419.532	1.880	50	40	HDGB	
O=C(COCC(=O)N1CCCCCC1)NNC(=O)c1ccc(Br)cc1	4700284	PHSWKRVBCLFMTE-UHFFFAOYSA-N	412.284	1.629	50	40	HDGB	
COc1ccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	5376853	FJLWIBJGDZUZGT-CPQALAHRSA-N	404.897	1.544	50	40	HDGB	
CN(C)Cc1c(C(=O)N/N=C/c2cccc3ccccc23)nnn1-c1nonc1N	9463751	VGCAMHLAHKMWOA-UFFVCSGVSA-N	405.422	1.211	50	40	HDGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)C(=O)NCc1ccc(Cl)cc1	95459096	UHXPQZHCMUWLCB-LBPRGKRZSA-N	400.822	1.443	50	40	HDGB	
COc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)c1	408677473	BXPCTJCIXDGVIO-ZZIDHEKVSA-N	424.247	1.748	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccccc1Cl	408685971	QQKMDRDTGNUCEO-PIQGMWHKSA-N	413.655	1.672	50	40	HDGB	
COc1c(Br)c([C@H]2ON=C(C(=O)NN)[C@@H]2C)c(OC)c2c1OCO2	14987712	HCZYOIULHMBJRB-CDUCUWFYSA-N	402.201	1.248	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OC	20060246	UFMLEDDBMPTBDO-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
CCn1c(SCC(=O)NNC(=S)N2CCOCC2)nnc1-c1cccs1	32748245	OICDQWWFAVZYSG-UHFFFAOYSA-N	412.566	1.357	50	40	HDGB	
Cn1/c(=N\NC(=O)CNC(=O)c2ccc(Br)o2)sc2ccccc21	212052234	DMZKYTFUSBTFRB-XDJHFCHBSA-N	409.265	1.957	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2O)cc1OC	409253869	YLIHRRPYOWFKRN-SSDVNMTOSA-N	405.838	1.872	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O)c1ccc(NC(=O)c2ccco2)cc1	409385863	KNZDLZSUTOFBAZ-WRFANHODSA-N	409.398	1.816	50	40	HDGB	
COc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC	16291255	IFPCBOBMNFOOOQ-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
CCc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)cnn1-c1ccc(OC)nn1	24562627	GBAHWWUQHWXANN-UHFFFAOYSA-N	400.826	1.962	50	40	HDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)[C@H](Br)C2=O	33706278	FIGCLBPFTABCJB-XWIAVFTESA-N	401.345	1.984	50	40	HDGB	
O=c1n(Cc2ccccc2)c(=O)n2n1[C@H]1C[C@H]2[C@@H](Br)[C@H]1Br	100930669	JNSLTQBHEOJKMD-FIQHERPVSA-N	415.085	1.886	50	40	HDGB	
C/C(=N\NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1O	409027237	BKGIETDVWMDGTL-LDADJPATSA-N	406.420	1.607	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	2640115	HWDJNSXGFDFGEN-UHFFFAOYSA-N	420.447	1.293	50	40	HDGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c21	19859267	ONQPUVMGJLTRSC-HXUWFJFHSA-N	422.485	1.716	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1	408776144	UMKXHGSHDFPXER-UDWIEESQSA-N	419.459	1.398	50	40	HDGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	5633225	GYEZZDXBVZJOPV-SSDVNMTOSA-N	400.410	1.818	50	40	HDGB	
CCn1nc(C(=O)NNC(=O)c2cc3ccccc3oc2=O)c2ccccc2c1=O	6454718	WQJZLSITTDOFOZ-UHFFFAOYSA-N	404.382	1.598	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)c1	12870897	USAQKQIZYGNHKF-UHFFFAOYSA-N	412.362	1.268	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)CSc2ccc3c(c2)OCCO3)nc2ccccc21	5268681	FOCLZNMAVWECIH-UHFFFAOYSA-N	412.471	1.827	50	40	HDGB	
CCOc1cccc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1OCC(=O)O	9187115	ZFLZPKQGKHHGDI-FBCYGCLPSA-N	405.367	1.112	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NNC(=O)c1ccco1	13137858	IJTHOSGCCSUNBH-UHFFFAOYSA-N	416.253	1.172	50	40	HDGB	
O=C(CSCc1ccc(F)cc1)NNC(=O)c1csc(N2CCOCC2)n1	14241283	NCORFWZKNAMJPF-UHFFFAOYSA-N	410.496	1.813	50	40	HDGB	
O=c1n(Cc2ccccc2)c(=O)n2n1[C@H]1C[C@@H]2[C@@H](Br)[C@H]1Br	100930668	JNSLTQBHEOJKMD-BKUVIOGVSA-N	415.085	1.886	50	40	HDGB	
C[C@H](C(=O)N/N=C/c1cccc2c1OCCO2)N(c1ccccc1)S(C)(=O)=O	408908721	YGQFGIWKNMAKHZ-GNUZOCDUSA-N	403.460	1.763	50	40	HDGB	
CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	1558298	IPFKXCPJNROMBP-SJORKVTESA-N	417.510	1.734	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1ccc(O)c(O)c1)N/N=C/c1ccc(O)c(O)c1	1691874	QVKHLZCGWPLBJP-CLVAPQHMSA-N	400.391	1.280	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1	6324031	RXRCYQOAIMYFQM-FSJBWODESA-N	400.410	1.820	50	40	HDGB	
CCCc1c(C(=O)N/N=C(\C)CCc2ccc(OC)cc2)nnn1-c1nonc1N	13787972	DBJXYRJAXNKAIY-CIAFOILYSA-N	412.454	1.932	50	40	HDGB	
COc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1	22275100	KTXJZOXJSONYCS-UHFFFAOYSA-N	416.415	1.202	50	40	HDGB	
N=C(N)NS(=O)(=O)c1ccc(-c2ccc(C=NNC(=O)c3ccncc3)o2)cc1	254352785	YJKCDDAAVMVADU-UHFFFAOYSA-N	412.431	1.277	50	40	HDGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1cc(I)ccc1O	3081775	YEEDSXWJGJWBGX-REZTVBANSA-N	413.171	1.470	50	40	HDGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N1C)C(C#N)=C(N)Oc1ccccc12	4517050	XSHNRDLZJRMUJK-NRFANRHFSA-N	411.414	1.253	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3O)CC2)cc1	12930924	QVOXSSQWMSSPIE-UHFFFAOYSA-N	417.487	1.563	50	40	HDGB	
O=C(COc1ccccc1Cl)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	16178568	UAXFWHLEIYMICZ-UHFFFAOYSA-N	416.781	1.669	50	40	HDGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccccn1)c1ccc(Br)cc1	40069438	DJOHOFFCNMDIPP-ZDUSSCGKSA-N	406.240	1.405	50	40	HDGB	
CCN(CC)[C@@H](C(=O)NNC(=O)C(=O)NC1CC1)c1cc(Cl)cc(Cl)c1	84771143	WBYSMKHYZCGYKN-CQSZACIVSA-N	401.294	1.802	50	40	HDGB	
CS(=O)(=O)/N=C1/C=C(NNC(=O)c2cccc([N+](=O)[O-])c2)C(=O)C2=C1CC=CC2	101181553	OBBCXFWMJCEWDC-QNGOZBTKSA-N	416.415	1.343	50	40	HDGB	
O=C(COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1)NNC(=O)c1ccccc1	408663927	PSPVDZHANKOAAG-UHFFFAOYSA-N	414.374	1.318	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1	882841	WPNBVXVGMJCWEO-UHFFFAOYSA-N	423.516	1.485	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(C)(C)c2ccccc2)cc1	40049156	GCNKPNBXRDGKSU-UHFFFAOYSA-N	403.504	1.741	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)c(C)o1	95460879	FERGCXAMXFFBAK-UHFFFAOYSA-N	405.842	1.953	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1	8091885	MIFWOMMAWIUVDG-LSFURLLWSA-N	406.801	1.693	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1	8091893	TUQAJPNRDIKWKV-LSFURLLWSA-N	406.801	1.693	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1	59459774	MBIUABJZUFWYOY-VXLYETTFSA-N	402.363	1.709	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1	19418412	CLRLAIYQKNYQPO-OEAKJJBVSA-N	411.458	1.835	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	19954923	UEEPINIPRLYLCE-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
CCc1c(C(=O)NNC(=O)c2ccc3ccccc3n2)cnn1-c1ccc(OC)nn1	40069949	MZMPHRLYAKKXDF-UHFFFAOYSA-N	417.429	1.856	50	40	HDGB	
COC(=O)CC(=O)/C(C(=O)N(N)c1nc2ccccc2s1)=C(/C)N1CCOCC1	101047993	WRBJVKAICJDSPO-SFQUDFHCSA-N	418.475	1.241	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1	102676038	ZVRRVYFNWBEPHY-FSEGOYHTSA-N	415.427	1.077	50	40	HDGB	
C/C(=N\NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc([N+](=O)[O-])cc1	4729099	CPNRBPJRYWYHTA-NEIHUHTASA-N	408.418	1.469	50	40	HDGB	
CC(=O)N[C@H](CCCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1	5663214	AZRMPLRFNYIFMG-MRXNPFEDSA-N	411.890	1.910	50	40	HDGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1csc(N2CCOCC2)n1	7384523	NEUNVYLMRAEFHU-UHFFFAOYSA-N	402.885	1.256	50	40	HDGB	
Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1C	408645108	JXVPIKNGBCWYFL-UHFFFAOYSA-N	418.471	1.472	50	40	HDGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(O)cc2)c(C)c(C#N)c1=O	409060218	ZUSDLOXHWNZEFW-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
O=C(NCc1ccccn1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	59515610	PQOBEBYCSVTKTP-IFRROFPPSA-N	405.208	1.339	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(C)(=O)=O	408772672	GTWNSPYYSXJVOT-RGVLZGJSSA-N	421.475	1.634	50	40	HDGB	
COc1cc(CCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC	7406592	KBZHDSONEFPOCZ-SFHVURJKSA-N	416.430	1.632	50	40	HDGB	
COc1ccc(C2=NO[C@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)Cc4ccccc4)[C@@H]23)cc1	100246081	VURJCWQVFAALEG-DQPUSNELSA-N	407.426	1.884	50	40	HDGB	
CCCC(=O)N[C@H](CSSC[C@@H](NC(=O)CCC)C(=O)OC)C(=O)OC	4287105	DYJBKHLHXXREPZ-VXGBXAGGSA-N	408.542	1.284	50	40	HDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59959630	IUEZKRDBNYLQON-YDZHTSKRSA-N	402.495	1.737	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)/C=C/c2sccc2C)cc1	8352944	KEDMXDFZBYJYHK-CMDGGOBGSA-N	407.517	1.846	50	40	HDGB	
CS(=O)(=O)c1ccc(/C(CN2CCN(c3ccccc3)CC2)=N\NC(N)=O)cc1	17185673	HMFSHCFGGDLBSY-QOCHGBHMSA-N	415.519	1.285	50	40	HDGB	
NC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1Br	25396433	SILAGVRIGKZPHC-CQSZACIVSA-N	405.252	1.490	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)NCc1ccccc1	58874041	IXMGPBCXJPHMNQ-PCLIKHOPSA-N	422.485	1.844	50	40	HDGB	
CCn1nc(C)c(S(=O)(=O)NNC(=O)c2cncc(Br)c2)c1C	72405786	NZQBYYRYTKDCHP-UHFFFAOYSA-N	402.274	1.301	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(C)(=O)=O	408779602	ZHLKHJCNRBCPMT-UDWIEESQSA-N	405.476	1.880	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CC1	1347214	HNNLXBNEBGDRSU-KRWDZBQOSA-N	401.488	1.798	50	40	HDGB	
CCc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1	6356157	JNRLDWYRZWPKNO-UDWIEESQSA-N	405.476	1.695	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c(OC)c1	6544466	HINGQQIYGJYDPT-RGVLZGJSSA-N	409.439	1.614	50	40	HDGB	
COc1ccc(N2C(N)=C(C#N)[C@]3(C(=O)N(C)c4ccccc43)C3=C2COC3=O)cc1	20732987	GQHAEAVTSBTHGV-QHCPKHFHSA-N	414.421	1.934	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	211043670	CGGKMVISCCGDJR-CPNJWEJPSA-N	420.447	1.910	50	40	HDGB	
O=C(CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1)NCc1ccco1	408657031	MTGFBHOOUHANPZ-UHFFFAOYSA-N	407.810	1.334	50	40	HDGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(c3ccccn3)CC2)cc1	32778476	KIAXKAUDVSPKTM-XDJHFCHBSA-N	419.485	1.947	50	40	HDGB	
CN1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Br)ccc21	79483976	PSZGUGZTCYPZDF-GOSISDBHSA-N	415.247	1.550	50	40	HDGB	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)C(=O)[C@@H](NC(=O)CCCCl)[C@H]1c1ccccc1	104097110	NIKHOFOLHLNIPQ-JONQDZQNSA-N	423.849	1.004	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1	409161848	BGXJMSJUAYKLJU-YSURURNPSA-N	422.363	1.919	50	40	HDGB	
COc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1	2375297	QEHUAYRBYVRGTB-FLFQWRMESA-N	424.457	1.231	50	40	HDGB	
COc1ccc(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1	8352992	LTZKOSMQAHXXSK-UHFFFAOYSA-N	405.476	1.014	50	40	HDGB	
C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NNC(=O)c1ccccc1-n1cccc1)C2=O	9883412	XAEFNWQFGRGQCY-QRQCRPRQSA-N	423.473	1.739	50	40	HDGB	
O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	12854475	DJGXXTSKTYGBGN-PBWFPOADSA-N	403.391	1.294	50	40	HDGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@H](O)c2ccccc2)c2cc(Br)ccc21	18209466	PYANGCNYMDLSHP-GFXBCDTMSA-N	412.243	1.983	50	40	HDGB	
O=C(COc1cccc(N2CCCC2=O)c1)NNC(=O)c1cc(Br)c[nH]1	28717567	WILSCILGFUUXDC-UHFFFAOYSA-N	421.251	1.744	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)NCc1ccccc1	408609735	LGIGTJLPQMLNPN-AFUMVMLFSA-N	424.457	1.143	50	40	HDGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)cc1	409250468	LZAVONDVEVGORE-YDZHTSKRSA-N	424.457	1.832	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)c1ccc(N)cc1	8816144	GPXLSUIKQCQHQE-SSDVNMTOSA-N	403.406	1.636	50	40	HDGB	
COc1cc(C=NNC(=O)CN2CCN(Cc3ccccc3)CC2)cc(OC)c1O	253616956	GGFYUMIYIDHIJA-UHFFFAOYSA-N	412.490	1.677	50	40	HDGB	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1O	2305277	VOBTZNXZTHQKFD-LCYFTJDESA-N	400.391	1.098	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccco2)c1CSc1ccccc1	9459541	YEDPXONTBBNJAE-DJKKODMXSA-N	410.419	1.882	50	40	HDGB	
Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCCN(c3ncccn3)C2)ccc1Cl	12553646	ATFAYNDOPJAFFW-CQSZACIVSA-N	403.870	1.881	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	18191701	WLEWPRDHDJKIPL-RGVLZGJSSA-N	419.459	1.730	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1	20211214	OQCHITDPPYVJAS-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	408781159	BAQXOVQOWLHIRW-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3)C2=O)c1	2323208	MUIWCWWLCXCOCP-SDNWHVSQSA-N	410.386	1.105	50	40	HDGB	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)c1ccccc1O	17526075	GAITXCDSPBLXHR-OAHLLOKOSA-N	417.487	1.714	50	40	HDGB	
Cn1c(=O)[nH]c(=O)c2ccc(C(=O)NNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21	28963159	HWTWVTIGDFKOOR-UHFFFAOYSA-N	424.295	1.306	50	40	HDGB	
C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\C2CCCCC2)nnn1-c1nonc1N	33928379	LKONAVVWNQBGJB-GMDDEGIZSA-N	415.502	1.903	50	40	HDGB	
BrC[C@@H]1CN/C(=N\CC/N=C2\NC[C@H](CBr)S2)S1	95795379	AVTZRNUMOWZLRG-OCAPTIKFSA-N	416.208	1.898	50	40	HDGB	
CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1cc3c(s1)CCC3)C2=O	12862164	RNPNBOOFQOJTGJ-UHFFFAOYSA-N	404.492	1.499	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)[C@@H]1COc2ccccc2O1	72306858	QXLIJTZMQQUVTA-KDOFPFPSSA-N	416.478	1.338	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccc(Cl)cc1	138873651	KIUKFPSJTRRLFU-ZDUSSCGKSA-N	419.821	1.286	50	40	HDGB	
CNC(=O)/C(C#N)=C\c1cc(I)c(OCC(=O)O)c(OC)c1	408904902	QFIARYAYZVDFRP-OQFOIZHKSA-N	416.171	1.416	50	40	HDGB	
CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1	6538272	SZHUJPSCABROIM-UDWIEESQSA-N	421.475	1.531	50	40	HDGB	
BrC[C@@H]1CN/C(=N\CC/N=C2\NC[C@@H](CBr)S2)S1	95795381	AVTZRNUMOWZLRG-HTQZYQBOSA-N	416.208	1.898	50	40	HDGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1	409139481	NVTZYUBYMFHBFM-UDWIEESQSA-N	419.459	1.398	50	40	HDGB	
Cc1ccc(CN2C[C@@H](C(=O)NNC(=O)Cn3ccc(C(F)(F)F)n3)CC2=O)cc1	33028659	ZEOPHRSXGNOTNA-AWEZNQCLSA-N	423.395	1.406	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccc(Cl)cc1	52412279	AUJGLQRBRMDUQU-AWEZNQCLSA-N	415.833	1.697	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1	57352854	KVOHWTLLQIZXOE-UHFFFAOYSA-N	407.323	1.957	50	40	HDGB	
Cn1/c(=N\NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)sc2ccccc21	102416110	MUSOEULVLMFSDW-CAPFRKAQSA-N	410.908	1.804	50	40	HDGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	103384490	CSFYHORSYUNBQX-UHFFFAOYSA-N	412.471	1.947	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2ccc(F)cc2)cc1	7282820	LGCCESNAMGJVLH-UHFFFAOYSA-N	407.467	1.535	50	40	HDGB	
Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1	408658867	RRLNEPRDRKXBHU-QGZVFWFLSA-N	409.442	1.661	50	40	HDGB	
Cc1c(C(=O)N/N=C/c2cc(Br)ccc2F)nnn1-c1nonc1N	1022664	FSSCBJGFXQGOTA-YAXRCOADSA-N	409.179	1.206	50	40	HDGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccoc3)nnn2-c2nonc2N)cc1	2385315	OLGVFTPVPPHHQH-AWQFTUOYSA-N	408.378	1.655	50	40	HDGB	
CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1	7939959	PRNVNRJUFKTGOR-UHFFFAOYSA-N	411.414	1.612	50	40	HDGB	
O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NNC(=O)c1cccc(F)c1	39976146	ZJEKXMWRJBMLHF-UHFFFAOYSA-N	408.315	1.959	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1	408806948	NRMMYDWLHAGNFR-IZZDOVSWSA-N	416.215	1.978	50	40	HDGB	
Cc1ccc(OCC(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1	5199823	LYYZGPBZNLBBBC-FLFQWRMESA-N	408.458	1.531	50	40	HDGB	
COc1ccc(OC)c(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1	16309177	VSOYFRKSUHUSNH-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	58873399	KPBZXJKVWUNOBX-MFKUBSTISA-N	408.458	1.177	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)c1	408782014	GGYMAAQYTOGQBD-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1c(O)nc(O)nc1O	408822778	VYYUKLWCZNPEKN-ZVBGSRNCSA-N	405.370	1.212	50	40	HDGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3cccc(O)c3)nnn2-c2nonc2N)cc1	1845876	XCIRPGHAAPQTRA-UFFVCSGVSA-N	404.390	1.677	50	40	HDGB	
O=C(CN1CCCCCC1=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	32795643	KKBOXNQOOTWJBU-QGZVFWFLSA-N	412.490	1.078	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1	6879478	HICDTSPIIYRSNJ-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccccc1[N+](=O)[O-]	9913798	AWBIWSDJGFDTJV-CTJICSLTSA-N	405.374	1.271	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1OC	1754005	RTFPZBFZJKHWNV-KEBDBYFISA-N	401.379	1.884	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1OC	6441732	SZCNWHCWTGILIP-VXLYETTFSA-N	411.867	1.786	50	40	HDGB	
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NNC(=O)c1ccncc1	13004912	HCBNTUVKOSHRNA-OAHLLOKOSA-N	402.476	1.403	50	40	HDGB	
O=C1OC(=O)[C@@H]2C3C(c4ccccc4)=C(c4ccccc4)C(O)([C@@H]12)[C@@H]1C(=O)OC(=O)[C@H]31	73315717	GWQMHYUJTIVKRW-JSZOCVDWSA-N	416.385	1.604	50	40	HDGB	
O=C1N=C(O)N(c2ccccc2Cl)C(=O)/C1=C\NNC(=O)c1ccccc1O	2261896	XJGXNDBEWDZXMS-LUAWRHEFSA-N	400.778	1.651	50	40	HDGB	
CC(C)Oc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1	12772596	STXQYLDXKUNGJZ-UHFFFAOYSA-N	411.505	1.617	50	40	HDGB	
Cc1ccc(C(=O)NNC(=O)c2cncn2-c2ccccc2)cc1NS(C)(=O)=O	40058781	LOMUQXASIJCYBR-UHFFFAOYSA-N	413.459	1.627	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c(OC)c1	408779692	HZASTGMJLZSLHG-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
C=CCNC(=O)/C(C#N)=C/c1c(N2CCN(CC)CC2)nc2c(C)cccn2c1=O	5022328	XTQZWRMBTLWCRW-SAPNQHFASA-N	406.490	1.354	50	40	HDGB	
Nn1c(COc2ccccc2F)nnc1SCC(=O)NNC(=O)c1ccccc1	7977729	JJKVWDJNWLDKKA-UHFFFAOYSA-N	416.438	1.263	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	20060353	DUIPPCYYOPKPBF-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)CC1	20213719	ACXBIQNVCVNMKC-UHFFFAOYSA-N	401.492	1.475	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccccc1Cl	20493193	JSRWQFTUGZSISZ-DJKKODMXSA-N	409.851	1.985	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc(Cl)cc1	250261063	ULKSNPBQYNMQOJ-GRRRKWKPSA-N	413.655	1.672	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)ccc1O	408786581	KWWJPFBUSFPAJF-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)c1	409339103	RWVJJKKWLJPOIS-DYTRJAOYSA-N	400.460	1.258	50	40	HDGB	
Cn1nnnc1Sc1ccc(C(=O)NNC(=O)c2cccs2)cc1[N+](=O)[O-]	8824554	DYXRWSQRKQGKHW-UHFFFAOYSA-N	405.421	1.406	50	40	HDGB	
COc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)c2ccccc2)cc1CN1CCOCC1	20789739	YLFSOTAPFKLEIE-SYXCRGJESA-N	424.501	1.796	50	40	HDGB	
O=C(CN1CCCCCC1=O)NNC(=O)c1c[nH]c(=S)n1-c1ccc(F)cc1	32845602	QGUBFCOTFBJPJK-UHFFFAOYSA-N	405.455	1.838	50	40	HDGB	
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)C1	2405054	QKEZNYBUJZWOHE-MFYHJKBNSA-N	409.446	1.175	50	40	HDGB	
CCCC(=O)NC(=S)NNC(=O)c1ccc(OC)c(I)c1	2551602	NHTIYOTWJJZHAV-UHFFFAOYSA-N	421.260	1.735	50	40	HDGB	
O=C(Cn1cc(C(F)(F)F)ccc1=O)N/N=C/c1ccc(N2CCOCC2)cc1	3188370	AIXWNFIGIMXXMZ-FOKLQQMPSA-N	408.380	1.854	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc(OC)c1OC	4851052	AFLKMZUHYQJRGU-QGZVFWFLSA-N	413.430	1.393	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12	103071291	BHYFVBHRSANVIC-OWBHPGMISA-N	416.459	1.650	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O	104205009	CRCZBXPHHOSWME-BSKAQADGSA-N	417.421	1.762	50	40	HDGB	
COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(Cl)cc2)C1=O	408537896	XZGVRCHDPINHIE-WVISFHDSSA-N	414.805	1.963	50	40	HDGB	
COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1O	1436955	YTHUTZUBPJBWAR-KGENOOAVSA-N	417.487	1.952	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC	57411671	QWMBJOWNFWKROF-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
CC(=O)N[C@@H](CCCCNC(=O)N(CCCl)N=O)C(=O)NCc1ccccc1	5663002	AZRMPLRFNYIFMG-INIZCTEOSA-N	411.890	1.910	50	40	HDGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl	6945623	SPLXYQHCQGBXFO-CYBMUJFWSA-N	404.810	1.629	50	40	HDGB	
COCCN1C(=O)C(=O)/C(=C(\C)NNC(=O)c2ccccc2O)[C@@H]1c1ccccc1	100225498	HSIHQEWYENZATH-ZSFFSCSXSA-N	409.442	1.700	50	40	HDGB	
COc1ccc(C2=NO[C@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)Cc4ccccc4)[C@H]23)cc1	100246070	VURJCWQVFAALEG-IQQXODBGSA-N	407.426	1.884	50	40	HDGB	
O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1O	2382700	HUFBXEXXPGYXEK-ZROIWOOFSA-N	414.418	1.093	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1OC	8720780	XJVWNKAPLMZGRP-UHFFFAOYSA-N	422.441	1.686	50	40	HDGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1	9500050	ASVDFGLCHMUEIS-IBGZPJMESA-N	414.421	1.750	50	40	HDGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36020560	DGSADTXZLVWDSI-UFWORHAWSA-N	421.207	1.943	50	40	HDGB	
O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	102904441	CYNAJNBFRWPPKH-VWDWCMKMSA-N	401.507	1.916	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1cccc(Cl)c1	408768098	SVZHCCGMQMGBCK-VXLYETTFSA-N	409.851	1.955	50	40	HDGB	
COc1ccc(/C(C)=N/NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c(OC)c1	4826957	FBKZWAXAPYTRPE-QNDYCBLQSA-N	413.430	1.500	50	40	HDGB	
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)NNC(=O)c1ccc(Cl)cc1	6883047	BUZUNWFTNQZFHX-UHFFFAOYSA-N	408.823	1.963	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1	8969972	GPSXWYWNDBSDRF-LSHDLFTRSA-N	421.417	1.836	50	40	HDGB	
COc1cc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(N)=O	14203938	ROANIQCUDJCIGH-UHFFFAOYSA-N	422.781	1.196	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1	19954219	CQPWCDUPBVDZDS-DJKKODMXSA-N	409.851	1.985	50	40	HDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1	20168841	RXFCKLSVKRWMIO-RGVLZGJSSA-N	414.374	1.869	50	40	HDGB	
N#CC1=C(N)N=C(SCC(=O)Nc2nccs2)[C@@H](C(N)=O)C12CCCCC2	23224682	RQKRHHRZSSHNFO-GFCCVEGCSA-N	404.521	1.973	50	40	HDGB	
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\NNC(=O)c1ccccc1Cl	2403545	BOYRZSVYIZBZCG-ZROIWOOFSA-N	416.796	1.876	50	40	HDGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1	58874030	KOWLTFZSZVKYCD-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3ccccc3O)C2)s1	12752716	ZPRWLAKIBMQQCK-ZDUSSCGKSA-N	423.516	1.624	50	40	HDGB	
C[C@H](C(=O)N/N=C/c1ccc(OCC#N)cc1)N(c1ccccc1)S(C)(=O)=O	408923245	UVVMIWYJWQGRMJ-HFITWMCCSA-N	400.460	1.894	50	40	HDGB	
Cc1cc(C)n2c(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)nnc2n1	2645894	BSDRQYGCLFVZPH-UHFFFAOYSA-N	401.408	1.203	50	40	HDGB	
C[C@]12S/C(=N\[C@H]3CCS(=O)(=O)C3)S[C@H]1CS(=O)(=O)[C@@H]2Br	12173910	QVZDWBIUSADKMV-YUDLUROSSA-N	420.397	1.286	50	40	HDGB	
COc1ccc(OCC(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1	16839238	GJJMOSOPRPRZEF-UHFFFAOYSA-N	407.426	1.745	50	40	HDGB	
C[C@@]12S/C(=N/[C@@H]3CCS(=O)(=O)C3)S[C@@H]1CS(=O)(=O)[C@@H]2Br	100838398	QVZDWBIUSADKMV-FJNCSTIMSA-N	420.397	1.286	50	40	HDGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C1\C(=O)Nc2ccc(Br)cc21	1308326	BIYRTXZPLWVCIM-UHFFFAOYSA-N	419.210	1.791	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1O	19954318	NVONNYNSKMRQTQ-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1[N+](=O)[O-]	33747851	BNYBXPMZCPOSRM-WQRHYEAKSA-N	412.468	1.648	50	40	HDGB	
COc1cccc(C(=O)NNC2=C/C(=N/S(C)(=O)=O)C3=C(CC=CC3)C2=O)c1	101181565	VRBGPBIJQBETRB-JWGURIENSA-N	401.444	1.443	50	40	HDGB	
C[C@H](Br)C(=O)NNC(=O)c1ccccc1OC(=O)[C@@H](C)Br	3296957	YFDAORIUQTVYRN-JGVFFNPUSA-N	422.073	1.920	50	40	HDGB	
CN(C)NC(=O)c1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	9599770	HTLUETIFOCNYLG-UHFFFAOYSA-N	422.532	1.991	50	40	HDGB	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc(NC(=O)[C@@H]2CCCO2)c1	12933175	LLCDUSGAIGCECE-KRWDZBQOSA-N	411.414	1.650	50	40	HDGB	
CCCn1nc(C(=O)NNC(=O)c2cccc(OC)c2OC)c2ccccc2c1=O	17162618	UEKNQTKXBJBEBZ-UHFFFAOYSA-N	410.430	1.899	50	40	HDGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc2nsnc12	19079925	HQRSVQSRASMKEW-UHFFFAOYSA-N	416.282	1.416	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O	408774432	WWOAWRBHZHFQDU-RGVLZGJSSA-N	419.459	1.618	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O	1691822	QJNBTCDYIWIYLH-CLVAPQHMSA-N	400.391	1.280	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)cc2)c1	6841389	QORDWSIJMIOKAZ-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)Cn3nnn(-c4cccs4)c3=O)cc2C1	9882898	DLSNJLQKSQELLS-SNVBAGLBSA-N	418.504	1.138	50	40	HDGB	
COCc1[nH]nc2c1[C@@H](c1ccc(OC)c(-n3cc([N+](=O)[O-])cn3)c1)C(C#N)=C(N)O2	16194413	VXLPSHRFHUUNCH-INIZCTEOSA-N	423.389	1.877	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccs3)CC2)cc1	36148371	BWXKFDWUKZLTSD-UYRXBGFRSA-N	406.533	1.513	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1	58880965	AWYGYXFAXFFLRW-SSDVNMTOSA-N	400.410	1.818	50	40	HDGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@@H]1CCCO1)Nc1ccccc1	409257034	RCXBXHQPFREBPF-VQXFCIMOSA-N	424.457	1.449	50	40	HDGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)N(C(C)C)c2ccccc21	6132209	OVJDZPSRBDCSAX-DAFNUICNSA-N	408.458	1.766	50	40	HDGB	
C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1I	8384956	WOXQGVMVYKAYNX-OVCLIPMQSA-N	414.163	1.597	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1Br	17195380	AJTJVUXMYHLUFL-UHFFFAOYSA-N	417.219	1.769	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1	19954414	ZIWVCQTVIMZSPT-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2F)S(C)(=O)=O)c1	408783943	PLGZNBICFOSPOA-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3cccc(O)c3)nnn2-c2nonc2N)c1	1740111	OSAOUWYUIFBTSL-UFFVCSGVSA-N	420.389	1.378	50	40	HDGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(C)o3)nnn2-c2nonc2N)c1	9500382	YJCCEKMNBRLZQB-UFFVCSGVSA-N	422.405	1.964	50	40	HDGB	
O=C(COc1ccc(-n2cnnn2)cc1)N/N=C\c1cc(Br)ccc1O	85913119	IZYYUANMXGHLMM-LSCVHKIXSA-N	417.223	1.660	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1O	39986605	JSRXQCYEDXZSLQ-NDENLUEZSA-N	405.476	1.870	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/C1=Cc2ccccc2OC1	100958993	FGURFCAZBMEGHH-UWNXQOIWSA-N	410.451	1.785	50	40	HDGB	
CCOC(=O)Cc1[nH]nc2c1[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2	663150	WQKCSXCXFQFZIJ-INIZCTEOSA-N	414.418	1.759	50	40	HDGB	
O=C(COC(=O)COc1ccc(Br)cc1)NNC(=O)c1ccccc1	2658088	LQILAXPPHLDIFO-UHFFFAOYSA-N	407.220	1.832	50	40	HDGB	
O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NNC(=O)c1ccco1	36235008	SDWKHNAYQQGIPF-UHFFFAOYSA-N	411.487	1.986	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1	58873221	CBYUKIJBPLCKAW-OYKKKHCWSA-N	410.474	1.747	50	40	HDGB	
O=C(NCc1ccc2c(c1)OCO2)C(=O)N/N=C/c1cc(Br)ccc1O	3009272	NLJJGBALLAMYJP-DNTJNYDQSA-N	420.219	1.650	50	40	HDGB	
COc1cccc(CC(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c1	5985437	PZBHJNZPEHOAKY-UHFFFAOYSA-N	406.822	1.661	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)c(OC)c1OC	6544414	ZLDADFFCJGNVDF-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1ccccc1F	8691451	LYPDVPJTEYILQL-YDZHTSKRSA-N	412.421	1.916	50	40	HDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c1	13923524	HZXJRWMMYQSDQA-SRZZPIQSSA-N	417.418	1.818	50	40	HDGB	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)[C@@H](C)Oc3cccc(C)c3C)ccc21	18102703	ZSCZERVUNWWGBD-CQSZACIVSA-N	424.457	1.555	50	40	HDGB	
CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)n(C)c1	29710014	WPUBVHZHETXJFD-UHFFFAOYSA-N	410.521	1.338	50	40	HDGB	
C/C=N/NC(=O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC	408925586	UYWZWDWBVWXEJE-SGQITRJPSA-N	404.423	1.387	50	40	HDGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@@H]1c1ccccc1	409124206	AHYRPRGOJBXNAD-IRXDYDNUSA-N	415.471	1.016	50	40	HDGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	891444	ANRRMAQZVWPRPK-UHFFFAOYSA-N	403.460	1.091	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F	409156784	LZYMIZNVMRGZFR-YSURURNPSA-N	422.363	1.919	50	40	HDGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(N3CCOCC3)nc12	2703835	JJRSVBGCYTVLCH-SAPNQHFASA-N	407.474	1.759	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)ccc1O	6537463	LCNLWRIPKCSMLR-UDWIEESQSA-N	421.475	1.570	50	40	HDGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCC(N)=O	8336675	WAWZLYODXCAXAV-DNTJNYDQSA-N	403.464	1.209	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1	19954482	LLCAOQVUCXLHTK-UDWIEESQSA-N	403.460	1.837	50	40	HDGB	
Cc1ncoc1C(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1	72310335	ZRPXJMFNLZUIFD-UHFFFAOYSA-N	414.443	1.536	50	40	HDGB	
COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCBr	107791099	DFFCDRQOXOMVQE-DUXPYHPUSA-N	412.196	1.924	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)ccc1O	409143056	MRGUEYLXFKOIBZ-RGVLZGJSSA-N	409.439	1.846	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1	2371188	PTWBZMJREZAXQZ-UFWORHAWSA-N	400.399	1.137	50	40	HDGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1Cl	10781447	VNLRAVRQCXOVKS-LBPRGKRZSA-N	401.806	1.983	50	40	HDGB	
CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	58873382	FDAHXGPWJMVBQU-SSDVNMTOSA-N	400.435	1.340	50	40	HDGB	
Cc1ccc(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(C)(=O)=O)cc1Cl	408784130	SECZAQHAKJDNFF-UHFFFAOYSA-N	420.878	1.887	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OC)c2OC)cc1	6544573	VCEFZWHVLVOHCJ-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
C[C@H](NS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)NNC(=O)c1ccco1	12943921	WORKTRXONSWWGA-VIFPVBQESA-N	405.354	1.426	50	40	HDGB	
N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccc(B(O)O)cc3)n2)cn1	585293023	BYFCUVJUMNWWRX-HXUWFJFHSA-N	400.251	1.504	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2O)cc1	5481054	XJENBANBDQWOOV-YBFXNURJSA-N	404.448	1.121	50	40	HDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	5603221	BBJFKLGVQYKLQP-AWQFTUOYSA-N	404.220	1.944	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	408780834	LTEVROVYDDUDKK-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
Cc1oc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1	40128093	MOTSMIPSARNQOY-UHFFFAOYSA-N	422.419	1.356	50	40	HDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1	3109116	ONOVVULYHAGWCP-YDZHTSKRSA-N	415.446	1.530	50	40	HDGB	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	9576647	JGDVFKPDACVJQU-HBNTYKKESA-N	400.950	1.153	50	40	HDGB	
CCOc1ccc(C(=O)NNC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1OC	12693511	FKYNWJZINXSEAG-UHFFFAOYSA-N	412.446	1.665	50	40	HDGB	
CCOc1ccc(OCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1	12699013	LZPHTGSDGYBJSO-UHFFFAOYSA-N	420.491	1.527	50	40	HDGB	
O=C(N/N=C\C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C/C=C\c1ccccc1	17315569	LIXQPTNMBCCLLW-CDFVCTAPSA-N	406.442	1.339	50	40	HDGB	
CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)NNC(=O)c3ccccn3)cc(C(C)C)nc21	40069505	XQBQMQYXCKZWDY-UHFFFAOYSA-N	424.461	1.334	50	40	HDGB	
N#Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n1	408721600	VLXPYPBUPJQACT-AWQFTUOYSA-N	410.781	1.924	50	40	HDGB	
CC(C)(C)C(=O)N1CCC(C(=O)NNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)CC1	14135115	PGHVCKGHWRVPCE-UHFFFAOYSA-N	422.570	1.703	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	6544408	QMGFELPKBXWILJ-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
COc1cc(OC)cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)c1	101687457	NQMAEABOOVJPAC-INIZCTEOSA-N	403.822	1.924	50	40	HDGB	
NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(I)cc2)c1	225500529	CNBYGCMSBFYQMS-UHFFFAOYSA-N	417.228	1.696	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1OC	408774476	LQDOUMTWHHEUGV-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
Cn1cc(Br)cc1C(=O)NNC(=O)c1cccc(NS(C)(=O)=O)c1	21965285	WRNLPHUCJHPXAT-UHFFFAOYSA-N	415.269	1.234	50	40	HDGB	
Cn1c(=O)c2c(nc(SC[C@@H](O)CCl)n2CCCc2ccccc2)n(C)c1=O	32937926	GFAWPOYSHLIPTM-AWEZNQCLSA-N	422.938	1.758	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCO2	40068913	XKFAFAKKSKYTME-GFCCVEGCSA-N	401.806	1.883	50	40	HDGB	
COC(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2cccs2)cc([N+](=O)[O-])c1	12868040	ZXBVLVNRRIWJCZ-UHFFFAOYSA-N	407.360	1.061	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1	19954803	RZSFWUXPORXNJJ-UDWIEESQSA-N	403.460	1.698	50	40	HDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c1C#N	59427713	YVFZHKHVSUPTQD-ZVBGSRNCSA-N	413.390	1.854	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc(O)cc1	408743739	XTIYIJDQECRVCU-UMXKZIAQSA-N	416.846	1.825	50	40	HDGB	
Cc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1C	5878995	ATXROSJPXJQHJU-QGZVFWFLSA-N	409.442	1.661	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3cccs3)CC2)cc1	7986536	RRULUZPADLVGQD-UHFFFAOYSA-N	408.505	1.417	50	40	HDGB	
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	8036220	XYFILUCFSAJKQI-HSZRJFAPSA-N	411.421	1.925	50	40	HDGB	
Cc1ccc(C(=O)NNC(=O)COC(=O)c2sc3nc(C)[nH]c(=O)c3c2C)cc1	22859363	PHRSRWVPXLQPHC-UHFFFAOYSA-N	414.443	1.528	50	40	HDGB	
CCCc1c(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)nnn1-c1nonc1N	13788284	JYAGRBGHLQTPQM-KEBDBYFISA-N	414.426	1.356	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1	408783904	OXWRDRPOAHMLOE-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21	2262316	FWHDKDZFEIBCOR-JSJZCPQQSA-N	415.453	1.987	50	40	HDGB	
CC1(C)OC(=O)C([C@H](c2ccc3c(c2)OCO3)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	20219010	ROORPDRIUHFJDK-IUODEOHRSA-N	408.370	1.351	50	40	HDGB	
Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	110398801	RQGGJLPCEBSSJD-ANKPHQHTSA-N	409.358	1.518	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1OC	408773130	STMKNDBVWYPSPY-DEDYPNTBSA-N	421.475	1.716	50	40	HDGB	
COc1cc(C(=O)NN[C@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1OC	2324965	QZXRBJFCCXWYEL-HNNXBMFYSA-N	413.430	1.587	50	40	HDGB	
NC(=O)C(=O)N/N=C(/C[C@]1(O)C(=O)Nc2ccccc21)c1ccc2ccccc2c1	5892129	KNAAVNFUUCPYLP-ZYGWBPEKSA-N	402.410	1.375	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC	10216181	OWBMYYOIYVRYPR-LBPRGKRZSA-N	419.409	1.188	50	40	HDGB	
CCCn1nc(C(=O)NNC(=S)NCCc2ccc(OC)c(OC)c2)ccc1=O	12943090	ZSWPOCIJKBJFJO-UHFFFAOYSA-N	419.507	1.022	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc(F)c3)CC2)cc1	30742749	HWSAGLLZDLTRLG-HMAPJEAMSA-N	418.494	1.591	50	40	HDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OC)c1	409266078	JLTVLATUGDKIQF-XUNMKLQISA-N	419.219	1.370	50	40	HDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(Cl)c(OCC(N)=O)c(OC)c1	814136	HAAOHVVEOTZRTQ-MRXNPFEDSA-N	421.837	1.857	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1	6544396	GECVTFYOGAJBBX-RGVLZGJSSA-N	409.439	1.614	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O	408773342	IESPPTMVCDCFJY-FYJGNVAPSA-N	418.519	1.986	50	40	HDGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccoc3)nnn2-c2nonc2N)c1	13805997	GTSGYZQYICRSDD-AWQFTUOYSA-N	408.378	1.655	50	40	HDGB	
CN(C)N(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@@H]1CCS(=O)(=O)C1	25042851	VZVKGWBSDIMFLF-GFCCVEGCSA-N	401.872	1.130	50	40	HDGB	
Cc1cc(C)cc(OCCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1	40061093	GZHAYSBETVKORQ-UHFFFAOYSA-N	419.503	1.784	50	40	HDGB	
Cn1cc(C(=O)NNC(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)c2ccccc21	48341627	MACUQXJZFVOPOH-UHFFFAOYSA-N	417.425	1.211	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)ccc1O	408782772	JGWNVKNRTXGOLJ-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	409262057	DLHLEKVKQLAMEE-KOEQRZSOSA-N	424.501	1.554	50	40	HDGB	
CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccccc1Cl	2242799	ZGDZQNDEOGKIEF-AWQFTUOYSA-N	417.861	1.492	50	40	HDGB	
CSCC[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NNC(=O)c1ccco1	6652484	XUPZNINHCMADPP-CYBMUJFWSA-N	415.468	1.280	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OCC)cc1	6953956	FUPIKFJWOUQFPW-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
O=C(CNC(=O)[C@H]1COc2ccccc2O1)N/N=C\c1ccc(Br)cc1	31870570	SACWATKKXWFFMN-JZKGFHEDSA-N	418.247	1.855	50	40	HDGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccs1	36022841	UKJYTKBBGAKGQR-CAPFRKAQSA-N	420.560	1.903	50	40	HDGB	
COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21	2379885	BHGLSYXVGCPQHP-FLFQWRMESA-N	424.457	1.231	50	40	HDGB	
Cc1cc(C)n2nc(CC(=O)NNC(=O)COc3cccc4ccccc34)nc2n1	5482794	RZYQBHGTXJVONA-UHFFFAOYSA-N	404.430	1.663	50	40	HDGB	
O=C(CCC(=O)OCCc1ccccc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1	12137173	YMQXWOBGUHBJGC-UHFFFAOYSA-N	415.402	1.687	50	40	HDGB	
CN(C)Cc1c(C(=O)N/N=C/c2c(Cl)cccc2Cl)nnn1-c1nonc1N	13514429	ZLOVDXHYYNUHQW-KPSZGOFPSA-N	424.252	1.365	50	40	HDGB	
CC1(C)OC(=O)C([C@@H](c2ccc3c(c2)OCO3)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	20219014	ROORPDRIUHFJDK-WFASDCNBSA-N	408.370	1.351	50	40	HDGB	
CC1(C)[C@]2(C(=O)NCCCN3CCOCC3)CC[C@@]1(C)C(=O)[C@H]2Br	33349543	FIGCLBPFTABCJB-JEBQAFNWSA-N	401.345	1.984	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1O	408907749	QOFPCDGFZAAYND-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1C(=O)NC[C@H]1c1ccccc1	4721366	VOGDWNFGMAKPSN-HGDOOPNHSA-N	403.442	1.866	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)CCCn2c(=O)oc3ccccc32)nc2ccccc21	5267634	RLCZKCXYFKONSS-UHFFFAOYSA-N	407.430	1.652	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1	6866245	HQEXDFCSHXRZIH-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
COC(=O)c1sccc1NC(=S)NNC(=O)COc1ccc(NC(C)=O)cc1	2571168	OHUMBHOXPJNFRY-UHFFFAOYSA-N	422.488	1.890	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OCC)c1	6879445	RTGQPIPAKGHJNY-LPYMAVHISA-N	404.467	1.063	50	40	HDGB	
O=C(N/N=C/c1ccc(Cl)cc1)[C@@H](O)[C@@H](O)C(=O)N/N=C/c1ccc(Cl)cc1	12559197	RZCYJYNVTIBMMF-CALDBYBESA-N	423.256	1.316	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccccc1Cl	20493224	XZPGNMKIEVKVTE-VXLYETTFSA-N	409.851	1.955	50	40	HDGB	
CCOc1ccc(C(=O)NN[C@@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1OC	101849843	CIQQBABBMZYWIZ-QGZVFWFLSA-N	411.458	1.699	50	40	HDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1	409321130	RSVGHXPLEJAECD-GJZGRUSLSA-N	418.427	1.117	50	40	HDGB	
CCOc1ccc(C(=O)NN[C@H]2CC(=O)N(CCc3ccccc3)C2=O)cc1OC	5981230	CIQQBABBMZYWIZ-KRWDZBQOSA-N	411.458	1.699	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2c(OC)cccc2OC)cc1OC	6583661	CQHIQNWJTCLABG-YDZHTSKRSA-N	415.446	1.530	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NNC(=O)Cc2ccccc2)cc1	12858161	WLIAHALSJCNURB-IBGZPJMESA-N	415.515	1.928	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1	59483792	MHSONMPBRMLYIK-CAOOACKPSA-N	417.203	1.148	50	40	HDGB	
CCOC(=O)Nc1nnc(CC(=O)N/N=C/c2ccc(Br)cc2)s1	408729831	DMVAMKQYBOWIAR-LZYBPNLTSA-N	412.269	2.562	50	40	HDGB	
COC(=O)CCC(=O)NNC(=O)c1ccc(OC)c(I)c1	5918122	NMFQDKMWXFBWJI-UHFFFAOYSA-N	406.176	1.014	50	40	HDGB	
CCn1c(=O)n(CC(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c2ccccc21	10234073	RKXKIMYDTWSELS-UHFFFAOYSA-N	420.429	1.175	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc3c(c2)CCO3)c1	40068984	GFXQRDRRLLVGDU-UHFFFAOYSA-N	417.487	1.727	50	40	HDGB	
Cn1c(=O)[nH]c(=O)c2c1nc(CCC(=O)NN=C1CCCC1)n2Cc1ccccc1	95946447	ANSNHLOEIUCXAN-UHFFFAOYSA-N	408.462	1.450	50	40	HDGB	
O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@H]1O2)c1ccccc1[N+](=O)[O-]	225103339	PBTBUMVHRXPUBB-LCCHZGNUSA-N	402.323	1.172	50	40	HDGB	
C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	5695051	AZFVYNODDQXLFA-SAPNQHFASA-N	405.476	1.733	50	40	HDGB	
CCOc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1	7939979	XKMFDUXUCRUSGQ-UHFFFAOYSA-N	413.430	1.808	50	40	HDGB	
O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccccc1[N+](=O)[O-]	9913795	AWBIWSDJGFDTJV-PPAWOMOGSA-N	405.374	1.271	50	40	HDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccn1	32794987	AFLCZLKBFVWKQT-NSHDSACASA-N	403.236	1.658	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2c(I)cnn2C)c1OC	994143	SHMUUUJMLOFMDB-FRKPEAEDSA-N	414.203	1.806	50	40	HDGB	
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CS)C(=O)NN	4773114	CTSFJLGVDUGQSN-HUUCEWRRSA-N	421.523	1.008	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C)cc2)cc1OC	6840330	LTSNDNKQEWMSML-UDWIEESQSA-N	405.476	1.783	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CSC(=S)N2CCCC2)ccc1OCC(N)=O	23272999	YDYZRIRPBDMXTB-KEBDBYFISA-N	424.548	1.513	50	40	HDGB	
CC1(C)OC[C@@H]2O[C@]3(CO)N[P@](=O)(N(CCCl)CCCl)O[C@H]3[C@H]2O1	301054457	RAVBQBANJNGDDK-KKVOYZIASA-N	405.215	1.101	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccncc1	408740910	JBUXDHOZACHPIZ-QOJWJBQSSA-N	401.835	1.515	50	40	HDGB	
O=C(NNC(=S)Nc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	3204520	RBTPDPKKSYISGZ-UHFFFAOYSA-N	420.516	1.339	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)C(=O)N/N=C\c2ccc(O)c(OCC)c2)ccc1O	36007095	YIDDZQVBSDBDFM-IINORCHSSA-N	414.418	1.496	50	40	HDGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O[C@@H](C)C(=O)O	409011764	IKOHUBKAFOVSML-XGTDKWECSA-N	417.374	1.984	50	40	HDGB	
C/C(=N\NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1ccccc1	25781827	XXFBEXTXTIXSDQ-FYJGNVAPSA-N	409.454	1.372	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2ccc(N(CC)CC)cc2)nnn1-c1nonc1N	9307771	MLIXNLFPCWPGLX-CIAFOILYSA-N	411.470	1.795	50	40	HDGB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccc2c(c1)OCO2	12581959	HYGCAMMEJJHWCX-KRWDZBQOSA-N	408.414	1.405	50	40	HDGB	
CCCn1nc(C(=O)NNC(=O)c2ccc3c(c2)OCC(=O)N3)c2ccccc2c1=O	22629504	UJAMYDKSHRCJDW-UHFFFAOYSA-N	421.413	1.212	50	40	HDGB	
CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1	58872993	ANAQZYQBYYNAFX-MSXFZWOLSA-N	414.462	1.587	50	40	HDGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409025590	UAIMSMBBBLCODV-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCC[C@H]1C(=O)O)c1ccccc1I	4489382	NUZHYVZCXLMOGD-VHSXEESVSA-N	416.215	1.943	50	40	HDGB	
O=C(COc1cccc(F)c1)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	9913488	WIRLSJGSNKGGKX-UHFFFAOYSA-N	418.381	1.411	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1	33827471	XWFYXMKFMKGQAS-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1ccc2c(c1)OCO2	40068915	BZYNFRNKZQEOHP-MRXNPFEDSA-N	407.426	1.718	50	40	HDGB	
COc1cc(/C=N/NC(=O)CCc2n[nH]c(=O)[nH]c2=O)ccc1OCc1ccccc1	942814	IPSQVZARDAMBOB-WSDLNYQXSA-N	423.429	1.129	50	40	HDGB	
C[C@@H](Br)C(=O)NNC(=O)c1ccccc1OC(=O)[C@@H](C)Br	3296959	YFDAORIUQTVYRN-HTQZYQBOSA-N	422.073	1.920	50	40	HDGB	
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)/C(C#N)=C/c3cnn(C)c3)cc2)n1	17093539	MHTPYNVVNMJXAP-OQLLNIDSSA-N	423.458	1.865	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccccc3O)CC2)cc1	36579793	LLVPNUWHULEJNP-KGENOOAVSA-N	416.503	1.157	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1	409026778	XYYHERFUTDMHDX-UDWIEESQSA-N	403.460	1.864	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1cccc(F)c1	409133194	PCNGMMLCTOEEAY-RGVLZGJSSA-N	407.423	1.513	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)c1	2373963	SKVUEEYXDZUHJE-SSDVNMTOSA-N	418.417	1.980	50	40	HDGB	
COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccccc2C#N)c1[N+](=O)[O-]	3085598	NELRPQFXVTVHOS-UFFVCSGVSA-N	412.358	1.929	50	40	HDGB	
O=C(CSc1ccc2c(c1)OCCO2)NNC(=O)[C@H]1COc2ccccc2O1	3369777	NJHIQCQGYLCVHO-QGZVFWFLSA-N	402.428	1.537	50	40	HDGB	
C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1ccccc1-n1cccc1)C2=O	9883416	XAEFNWQFGRGQCY-IVZQSRNASA-N	423.473	1.739	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(F)c(F)c1	13682237	YEGJZIXRCYVNBI-QENILXLESA-N	407.398	1.657	50	40	HDGB	
Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	2242784	HXNIASXRZXNJTG-QGMBQPNBSA-N	409.322	1.165	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1O	3470366	KEICYBVQMBWHCA-DEDYPNTBSA-N	403.460	1.949	50	40	HDGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	8763904	VPZZNSGGZGOYBU-AWQFTUOYSA-N	406.362	1.727	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	16187207	NZKYYMYCAUJTOA-WOJGMQOQSA-N	406.420	1.374	50	40	HDGB	
CCN(C(=O)COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1	33379952	PQRISTCZHWQUQF-QMJOVRGKSA-N	419.503	1.238	50	40	HDGB	
COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)cc1	408535546	OCHKBHXCLIZYQX-LKKXKRCMSA-N	414.805	1.963	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O	408923093	FHYWNTQSAVFOBE-UDWIEESQSA-N	419.459	1.383	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1	409120043	SXJMYFFQRTWPCJ-RGVLZGJSSA-N	407.423	1.529	50	40	HDGB	
CC12CN(C(=O)CBr)CC(C)(CN(C(=O)CBr)C1)C2=O	819942	XQGPEPSJQQRLDF-UHFFFAOYSA-N	410.106	1.042	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)cc1	2628292	ZZTVQBRBQINWJO-UHFFFAOYSA-N	405.476	1.442	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCn1cnc2ccccc2c1=O	12614207	MPDDHMAJIGSSEM-UHFFFAOYSA-N	400.822	1.910	50	40	HDGB	
O=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccc(NS(=O)(=O)c2cccs2)cc1	17518763	FDMSQHGTYUGYOI-UHFFFAOYSA-N	418.456	1.312	50	40	HDGB	
CC1(C)OC[C@@H]2O[C@]3(CO)N[P@](=O)(N(CCCl)CCCl)O[C@H]3[C@@H]2O1	301054460	RAVBQBANJNGDDK-RTMVKCNOSA-N	405.215	1.101	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O	408776328	NSEQCQDIKWJCIQ-RGVLZGJSSA-N	419.459	1.730	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccc(F)cc3)CC2)cc1	1384011	PDXQTFKIABMOFL-UHFFFAOYSA-N	419.478	1.996	50	40	HDGB	
O=C(NNC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(=O)[nH]n1	3504151	AVGCPIIWROUMBN-UHFFFAOYSA-N	400.398	1.697	50	40	HDGB	
CCCCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2ccccc2OC)C1=O	9320663	JTCOURQNKXODGC-OUKQBFOZSA-N	404.492	1.918	50	40	HDGB	
COc1ccc(OC)c([C@@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	4452878	XAPBDUQELSILHC-UYAOXDASSA-N	403.442	1.976	50	40	HDGB	
CCN(C(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	6065390	AEZLXFCSAVPTTI-AAGJOFLKSA-N	406.460	1.181	50	40	HDGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2F)c2ccccc21	6231312	NSSHXCBKNCBNDC-XHPQRKPJSA-N	407.405	1.726	50	40	HDGB	
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1cccs1	6543505	MYHOHUPKEUDCBC-UHFFFAOYSA-N	411.480	1.749	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)NC(=O)COc1ccccc1	6998489	SKCNBRVZRVINRO-LBPRGKRZSA-N	405.838	1.693	50	40	HDGB	
CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	8416925	LJCWQUVRFPRORP-UHFFFAOYSA-N	411.414	1.612	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(Br)cc1C(=O)O	13768989	ICSBEJQRBSPPSN-MOSHPQCFSA-N	421.207	1.116	50	40	HDGB	
CCc1sc(C(=O)NNC(=O)CSc2nnc(CCC(N)=O)n2CC)cc1C	40157364	SIVSCEUWXPTANJ-UHFFFAOYSA-N	424.552	1.202	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1OC	408777043	UGYCRRDVRRUFSN-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
O=C(COC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1ccc(Br)cc1	3436861	UHLIBTOKQUIWEF-UHFFFAOYSA-N	421.203	1.796	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(O)cc2)cc1OC	6544436	BUHHXKAEMCCAMA-YBFXNURJSA-N	407.448	1.180	50	40	HDGB	
CCCn1c(=O)[nH]c(=O)c2c(C(=O)NNC(=O)c3ccccn3)cc(C(C)C)nc21	40063372	PMWMIHJFWLWDMT-UHFFFAOYSA-N	410.434	1.088	50	40	HDGB	
COc1ccnc(NNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)n1	40081268	LGBITPVVSXOMSV-JTQLQIEISA-N	406.240	1.744	50	40	HDGB	
CS(=O)(=O)SC[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)O	2387132	NGQQVLYXKREEOA-HNNXBMFYSA-N	407.469	1.793	50	40	HDGB	in-vitro
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)OC)C1	9501398	XEZVDRQJPZRISP-YLQKULKDSA-N	424.457	1.862	50	40	HDGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1	13021222	CRWOBFRCHGUSLO-ZIAGYGMSSA-N	403.410	1.886	50	40	HDGB	
NNC(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1	17176567	QCNYSNQEILUJLA-NIZGNDASSA-N	418.251	1.556	50	40	HDGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1	19953619	QXTDQEXMDORVIA-HCZVKUGISA-N	420.447	1.908	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c(OC)c1	2445351	POXZUYDBWLIJKN-UFWORHAWSA-N	400.399	1.137	50	40	HDGB	
CCOC(=O)Cc1[nH]nc2c1C1(CCN(C(=O)c3ccccc3)CC1)C(C#N)=C(N)O2	4625110	ITKHDDYXIYQANK-UHFFFAOYSA-N	421.457	1.776	50	40	HDGB	biogenic
CC[C@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(Br)c1	6168502	PQSBARFVMOMXKO-TVQRCGJNSA-N	401.261	1.058	50	40	HDGB	
COc1c(I)cc(C(=O)NN)cc1I	6566554	YUXQRQJBJCNOND-UHFFFAOYSA-N	417.972	1.508	50	40	HDGB	
CN1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)CC1	26688216	REBPVIGSLRYRDV-NTCAYCPXSA-N	400.460	1.275	50	40	HDGB	
C[C@@H](Sc1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	12986825	QAGPCTKZRFKWLW-CYBMUJFWSA-N	407.517	1.879	50	40	HDGB	
CNS(=O)(=O)c1cccc(C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)c1	33028722	GODMGTCKIWQYEA-UHFFFAOYSA-N	419.503	1.867	50	40	HDGB	
CCOC(=O)c1ccc(N2C(=O)C[C@H](NNC(=O)Cc3cccs3)C2=O)cc1	100153815	GLACSJLCVMFHTH-HNNXBMFYSA-N	401.444	1.420	50	40	HDGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)ccc1OC	409316177	XXNREPOWMVOOPV-JJFYIABZSA-N	401.419	1.731	50	40	HDGB	
CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)c2ccc(N(C)C)cc2)CC1	4688335	YIYPLYNBHOMBKV-UHFFFAOYSA-N	418.494	1.096	50	40	HDGB	
CCCN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21	100180804	VSCRUDVPAJVYLX-LKUDQCMESA-N	424.457	1.711	50	40	HDGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1)Nc1ccccc1	409257145	QZQDPBCDZZSALH-NZYROCMPSA-N	424.457	1.449	50	40	HDGB	
O=C(N/N=C/c1ccco1)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8386643	YZIRWVHRVDYPFL-BFERYNQYSA-N	401.335	1.851	50	40	HDGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)c1ccc2c(c1)OCCO2	21904214	VFUNIFZRGLBDNV-UHFFFAOYSA-N	420.425	1.904	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)NC1CCCCC1	59959941	UBSCELNFHBVYJU-HYARGMPZSA-N	400.479	1.587	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1OC	920583	QZLDHOHBZQTZND-UHFFFAOYSA-N	410.434	1.517	50	40	HDGB	
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1ccc2c(c1)OCO2	7653549	HKHYWIVGOOCBGW-LXKVQUBZSA-N	417.443	1.155	50	40	HDGB	
CCn1nc(C(=O)NNC(=O)c2ccccc2-n2cccn2)c2ccccc2c1=O	40115810	QWBBWNFXWQSGGJ-UHFFFAOYSA-N	402.414	1.677	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c1C	2085140	GAZREFBWSSWXTD-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
CCOc1ncccc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	3259038	ZBZLBDLHYCLGJB-UHFFFAOYSA-N	422.235	1.861	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2cccs2)C(C)C)cc1	14201547	IIJOKKAMHQANQR-HNNXBMFYSA-N	411.505	1.521	50	40	HDGB	
COc1ccc(C(=O)NN[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC	101563649	PHLWWYFPKOMDNH-OAHLLOKOSA-N	417.849	1.919	50	40	HDGB	
COCCNC(=S)NNC(=O)c1ccc(I)c(OC)c1	408587232	SMWYJOBMKRKIOH-UHFFFAOYSA-N	409.249	1.055	50	40	HDGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c(C)c1	8039375	HNIUAVBWIIBILG-QGZVFWFLSA-N	409.442	1.661	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)c(C)n1Cc1ccco1	25454001	PNSLAESJPVBJOI-UHFFFAOYSA-N	405.418	1.797	50	40	HDGB	
Nc1nonc1C(=O)N/N=C\c1cc(Br)c(O)c(Br)c1O	408720570	VCFOCYYHFUWHEH-VVHNFQOZSA-N	421.005	1.352	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2ccc(Br)c(C)c2)n1	7386851	SGVIEGRZWUCMBI-UHFFFAOYSA-N	401.286	1.581	50	40	HDGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(C)(=O)=O	16249960	XQLHEOZHKPDTMH-UHFFFAOYSA-N	420.878	1.887	50	40	HDGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	108285121	OLXFJUFFHOHWQI-UYRXBGFRSA-N	404.448	1.549	50	40	HDGB	
Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O	110398793	RQGGJLPCEBSSJD-DGURAOSJSA-N	409.358	1.518	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNC(=O)c1ccccc1)c1ccccc1	252394469	NRASRDNMEKWQOT-INDMIFKZSA-N	418.453	1.347	50	40	HDGB	
CC1(C)NC(=O)N(CCC(=O)NNC(=O)Cc2ccc(Cl)cc2Cl)C1=O	6547034	BHVXFFVPUAQJEZ-UHFFFAOYSA-N	401.250	1.404	50	40	HDGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccncc1)c1cccc(Br)c1	9514444	YDWJSBJLXMBIJC-ZDUSSCGKSA-N	406.240	1.405	50	40	HDGB	
O=C(COC(=O)c1cccc([N+](=O)[O-])c1)NNC(=O)c1ccc(Br)cc1	11025887	APUUSAMUMPRPGF-UHFFFAOYSA-N	422.191	1.975	50	40	HDGB	
COC(=O)c1cc(Br)ccc1S(=O)(=O)NNC(=O)c1ccccn1	12887522	URMBHXLHPBEBDF-UHFFFAOYSA-N	414.237	1.254	50	40	HDGB	
O=C(N/N=C1/C[C@H](n2cc([N+](=O)[O-])cn2)[C@@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-]	101292748	PBTBUMVHRXPUBB-VLONTDKTSA-N	402.323	1.172	50	40	HDGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccnc2)ccc1OCC(=O)N1CCOCC1	409153870	NVJJGWCMDZZEFS-GZTJUZNOSA-N	422.441	1.873	50	40	HDGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1	408863345	RISATCXRYIHORK-FYJGNVAPSA-N	412.402	1.596	50	40	HDGB	
COc1cc(N2CCOCC2)ccc1/C=N\NC(=O)COc1ccccc1[N+](=O)[O-]	409222336	WSZIOBYXZDAIQZ-BKUYFWCQSA-N	414.418	1.969	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2Cl)c1	6953934	VETCTDKLIWAZRQ-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)c2ccccc21	9234046	XPKRBCKKXJLXJC-QQTULTPQSA-N	420.425	1.241	50	40	HDGB	
CC(C)C[C@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N1C(=O)c2ccccc2C1=O	25042769	BLOAUZVIYMCOSN-RHSMWYFYSA-N	421.519	1.190	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)c1	408771124	DGUOWFQMXWFAMW-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccc(B(O)O)o2)n1	585294429	RHKINEKLNKQARW-IBGZPJMESA-N	418.266	1.795	50	40	HDGB	
O=C(CN1CCCCC1)N/N=C/c1ccc(/C=N/NC(=O)CN2CCCCC2)cc1	831169	JDWZJDUJFTYXNY-DFEHQXHXSA-N	412.538	1.559	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccoc2)c1-c1ccc([N+](=O)[O-])cc1	1884690	DGAMJXSJOJXZGX-CNHKJKLMSA-N	409.322	1.165	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1O	3470092	ADVTVMBCQMOGQU-DEDYPNTBSA-N	403.460	1.949	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1	59960137	AAAXDZJFOIKROW-AWQFTUOYSA-N	419.235	1.402	50	40	HDGB	
O=C(NNC(=O)c1cccnc1O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	12979507	LHJBZMSNKWNDGQ-UHFFFAOYSA-N	415.413	1.564	50	40	HDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NN1C(=O)c2cccc3cc(O)cc(c23)C1=O	16693818	KKYUCPKURWTLCF-SXGWCWSVSA-N	402.366	1.369	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc([N+](=O)[O-])cc1	408529663	CVIZAODZMOXIHL-FIPPEOABSA-N	413.390	1.194	50	40	HDGB	
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OCC(=O)/C(C#N)=C(\C)N)C(C)C)c1	21670371	RPHWZKDSIKNVQQ-FXFXYLOPSA-N	403.435	1.327	50	40	HDGB	
CCOc1ccc(-n2nc(C(=O)N/N=C/c3ccccn3)c(C)c(C#N)c2=O)cc1	409053437	KCCZXAWSBRRGCO-ZMOGYAJESA-N	402.414	1.970	50	40	HDGB	
O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)[C@H]1COc2ccccc2O1	3294152	PGFFWBCUTZGMMR-QGZVFWFLSA-N	409.398	1.050	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Cl)cc1	6326072	JWQHADKPPWBERJ-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
COc1ccccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1	7939992	NCYWBDNJZSVLPA-UHFFFAOYSA-N	413.430	1.808	50	40	HDGB	
O=C(CCn1cncn1)NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1O	13009449	GHPJOVKVEGQMMB-UHFFFAOYSA-N	409.328	1.040	50	40	HDGB	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1	26776864	YMDJVNNXWUDJRT-CYBMUJFWSA-N	416.390	1.266	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/C=C/c3ccco3)CC2)cc1	35447278	HLWVEZQNANGKRE-ZWPYRXLESA-N	416.503	1.710	50	40	HDGB	
CCC(=O)Nc1ccc(C(=O)NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	670628	FTHCVUBWCFURKA-UHFFFAOYSA-N	404.448	1.617	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3O)nnn2-c2nonc2N)c1	1899246	XQDDAVGHYZHKCQ-UFFVCSGVSA-N	420.389	1.378	50	40	HDGB	
CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21	5452785	JSBCDUDYPIUJQS-FLFQWRMESA-N	408.458	1.801	50	40	HDGB	
O=C(NCc1ccccc1Cn1cccn1)NNC(=O)c1n[nH]c(=O)c2ccccc12	9532426	XJKHLOBUUATLCX-UHFFFAOYSA-N	417.429	1.312	50	40	HDGB	
O=C(NNC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1csc(N2CCOCC2)n1	12852355	LLCCWXMGBUQVTK-UHFFFAOYSA-N	411.827	1.616	50	40	HDGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)cc1	58305151	CKHGYCKHYAGOTN-CYBMUJFWSA-N	421.475	1.102	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c1C	408913773	UDZYRJBSIMKTEP-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1Cl	842940	CGGJFGPQEAYDCA-UHFFFAOYSA-N	418.885	1.560	50	40	HDGB	
O=C(Cc1ccccc1)NN[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	857171	BSSQEQFNHZSSBM-OAHLLOKOSA-N	402.248	1.945	50	40	HDGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)c3ccc(=O)n(C)n3)cc2)cc1	9513675	QESPSUKFRPLLPQ-UHFFFAOYSA-N	422.441	1.833	50	40	HDGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	19690922	FFONAWTYPFFJQO-IBGZPJMESA-N	410.449	1.846	50	40	HDGB	
COc1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)ccc1OC(C)C	103026117	GCRSGOLXNAFYHG-GASCZTMLSA-N	415.446	1.195	50	40	HDGB	
CC(=O)Nc1cccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)[nH]2)c1	7604850	PQBPOEIZGYCQKV-UHFFFAOYSA-N	410.459	1.983	50	40	HDGB	
C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)Cc1nc2ccccc2n1C	8163981	SQBRIIDTSLZPSY-GFCCVEGCSA-N	413.865	1.735	50	40	HDGB	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)NN	17061361	CTSFJLGVDUGQSN-GJZGRUSLSA-N	421.523	1.008	50	40	HDGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1ccccc1F)C(C#N)=C(N)O2	19859274	MODNZECPSWTJFF-LJQANCHMSA-N	410.449	1.846	50	40	HDGB	
C=CCN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1CC(=O)OC	4517044	CKNLSQBERPCQMB-NRFANRHFSA-N	409.398	1.029	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1C	16282978	JRVQZMBRBFWZBZ-ODLFYWEKSA-N	420.447	1.683	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	20060380	JLRVJYXRHLFPGO-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
CC(C)N1C(=O)/C(=N\NC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21	104004602	GBJBKIXNMZMYAR-NKFKGCMQSA-N	413.503	1.798	50	40	HDGB	
COC(=O)CN1C(=O)/C(=N/NC(=O)COc2cccc(Cl)c2)c2ccccc21	5700447	OXBLJTKAWVAJTI-RELWKKBWSA-N	401.806	1.759	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccccc1I	12630094	QNFIUCPCDJZFLH-UYRXBGFRSA-N	424.198	1.260	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)N3CCCC3)o2)cc1	408777472	ACBITEYFHMALEC-NDENLUEZSA-N	418.475	1.139	50	40	HDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OC	5246352	KDTYOMDILROBAZ-IBGZPJMESA-N	410.474	1.954	50	40	HDGB	
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NNC(=O)COc1ccccc1-c1ccccc1	32869856	LQJCQLYQDAMPAK-UHFFFAOYSA-N	422.441	1.198	50	40	HDGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	58873014	HIAICWHQPHAZIT-OYKKKHCWSA-N	424.457	1.855	50	40	HDGB	
O=C(CCCC(=O)NNC(=O)Oc1ccccc1)NNC(=O)Oc1ccccc1	102612535	VWKHYAYHIOODPG-UHFFFAOYSA-N	400.391	1.796	50	40	HDGB	
COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)c1	408529283	COTPIQLORSOLCF-SBUZPKSBSA-N	414.805	1.963	50	40	HDGB	
O=C(N/N=C\c1ccc(S(=O)(=O)O)o1)[C@@H]1COc2cc3ccccc3cc2O1	12362640	CDXLTDVRQXOMQK-SCPBCGJWSA-N	402.384	1.970	50	40	HDGB	
COc1ccc([C@H]2CCCN2CC(=O)NNC(=O)Cc2nc(C)cs2)c(OC)c1	21672062	PFTBBYLSDKHHNR-MRXNPFEDSA-N	418.519	1.996	50	40	HDGB	
COc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC	100097082	DVPLXOPXAYVFCK-AWEZNQCLSA-N	413.430	1.587	50	40	HDGB	
COC(=O)COc1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C(=O)OC)cc2)cc1	223161871	YRFJCZPEFJLNEP-NHDPSOOVSA-N	413.386	1.114	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc([N+](=O)[O-])cc1	408529671	CVIZAODZMOXIHL-PICDUVMISA-N	413.390	1.194	50	40	HDGB	
C[C@H](NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccccc1	408686245	RDNUOSFCSHDUFE-KYXUQCNPSA-N	422.275	1.978	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1	2178204	QWTDYFJXMMXSEX-FOKLQQMPSA-N	412.446	1.526	50	40	HDGB	
COc1ccc(O)c(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)c1	3662519	GOHSNOZXFFTYJY-UFFVCSGVSA-N	420.389	1.378	50	40	HDGB	
CC(=O)c1cccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1	12814415	TXVZRAAMKXSETQ-UHFFFAOYSA-N	400.254	1.614	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c1	20210143	YKULQGRLMQQUHH-UDWIEESQSA-N	419.459	1.383	50	40	HDGB	
COc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1OC	102304194	WSMXUVJSVPBFHQ-HNNXBMFYSA-N	413.430	1.587	50	40	HDGB	
N#C/C(=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1)C(N)=O	879804	MWYQPZIJJJEMRE-YFHOEESVSA-N	410.249	1.913	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2cc([N+](=O)[O-])cn2)ccc1OC(=O)c1ccco1	1873276	DVUGGAGAANNCDB-UFWORHAWSA-N	413.346	1.762	50	40	HDGB	
O=C(NNC(=O)c1ccc(=O)[nH]c1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	7738456	MLSIHOFINDVWLR-UHFFFAOYSA-N	408.370	1.937	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2	9423385	HWBYSHSSGBWCRW-PBTLCFMXSA-N	415.427	1.107	50	40	HDGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1cccc([N+](=O)[O-])c1	408676661	BCKLHJGFFSTHST-SLQSZJTJSA-N	424.203	1.892	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c(C)c1	408779078	QJHRLJFSIFUWPA-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(F)c2)cc1	6313203	WRUXEJJSOAXUHL-RGVLZGJSSA-N	406.439	1.555	50	40	HDGB	
O=C(NNC(=O)c1cc2c(s1)CCC2)c1cccc(N2CCCS2(=O)=O)c1	10124580	YVGDCOQMKRWWHN-UHFFFAOYSA-N	405.501	1.852	50	40	HDGB	
O=C(NNC(=S)NC[C@H]1CCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	15899355	BYNVXPHMHYEZDU-CQSZACIVSA-N	407.496	1.486	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC(C)(C)C)o2)cc1	408773122	STKJVBQCXDQOCC-JAIQZWGSSA-N	420.491	1.431	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccccc1Br	2162876	KOOUFAJRCMHDMO-CXUHLZMHSA-N	400.254	1.958	50	40	HDGB	
N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)NCc1ccccc1	2202761	ZDOHDTLUGPILAJ-NBVRZTHBSA-N	415.453	1.754	50	40	HDGB	
CNC(=S)NNC(=O)C1=NO[C@@H](CNc2ncc(C(F)(F)F)cc2Cl)C1	20366503	IMGKCKLJCFVGQH-SSDOTTSWSA-N	410.809	1.436	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(SC)s2)cc1OC	32944952	NEYVZXBLVAJEME-UHFFFAOYSA-N	400.507	1.831	50	40	HDGB	
CN(C)c1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1	33738955	HZPSNCHDLUKCAQ-QNGOZBTKSA-N	402.520	1.707	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)NNC(=O)c1ccccc1)c1ccccc1	100519936	NRASRDNMEKWQOT-CADBVGFASA-N	418.453	1.347	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCC1	2639492	ZONYSMMTJFNDFK-UHFFFAOYSA-N	403.460	1.555	50	40	HDGB	
CCOC(=O)[C@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	3668367	VUYCADVBXMHEPE-UONOGXRCSA-N	404.404	1.781	50	40	HDGB	
CCCCOCCCNC(=O)CCC(=O)NNC(=O)Cn1ccc2ccccc21	4676116	VPMSIUWJSTYCGN-UHFFFAOYSA-N	402.495	1.892	50	40	HDGB	
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=S)NC[C@@H]1CCCO1	22617624	GWFHGZMUVSFANM-VIFPVBQESA-N	412.821	1.195	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2cccs2)ccc1OCC(=O)N1CCOCC1	38164896	YWXXZMBYPYBXMB-NDENLUEZSA-N	403.460	1.758	50	40	HDGB	
O=C(NNC(=O)c1cc(F)c(F)cc1Cl)c1csc(N2CCOCC2)n1	12803649	PNXFBIOTMIZAAB-UHFFFAOYSA-N	402.810	1.986	50	40	HDGB	
O=C(COC(=O)CSc1ccc(F)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	12849549	LRSFTUXHLOUEBK-UHFFFAOYSA-N	407.379	1.830	50	40	HDGB	
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1ccncc1	13004910	HCBNTUVKOSHRNA-HNNXBMFYSA-N	402.476	1.403	50	40	HDGB	
O=C(NC[C@H]1CCCO1)NNC(=O)[C@@H]1CC(c2ccc(Cl)cc2Cl)=NO1	84341543	JTRJSKIXWJWRED-YGRLFVJLSA-N	401.250	1.996	50	40	HDGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409376912	BUWINJYPZLSSSG-FEGUVQJSSA-N	415.446	1.477	50	40	HDGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)C[C@H](C)O1	5023094	DTIABXSIIHQJFW-DWXXHQTDSA-N	423.473	1.074	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	6544419	CLAJOQBURHZUTD-YBFXNURJSA-N	405.432	1.164	50	40	HDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCC3)cc1NC(C)=O	7379777	FFKRHCQBVINRGX-UHFFFAOYSA-N	409.489	1.827	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNc3nc(C)cc(C)n3)CC2)cc1	11333475	BFYMPDHXPFPFBE-UHFFFAOYSA-N	403.508	1.946	50	40	HDGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccncc1	408730274	GRMWWYTWKWSZCM-VXLYETTFSA-N	411.403	1.786	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O	408774229	YKIUCVAJVHGTQG-UDWIEESQSA-N	419.459	1.700	50	40	HDGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1	409252040	RKLCZVQCELNEPS-MFKUBSTISA-N	422.485	1.763	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2F)c1	16187480	PIFBERWXKNWNOG-JAIQZWGSSA-N	409.439	1.614	50	40	HDGB	
C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1ccccc1)C2=O	8921161	ARJZEJDHXDGJHD-LHSJRXKWSA-N	400.479	1.513	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1cccc(Br)c1	408869161	RKMZDDQKUPVSOG-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408908645	XCSSLTVYCHXGHA-GNUZOCDUSA-N	403.460	1.917	50	40	HDGB	
O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\NNC(=O)c1ccccc1	15304235	IHEOXZDHYKRDIG-BENRWUELSA-N	400.847	1.906	50	40	HDGB	
COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)c1	5150065	OFUPLGIWCZLMNO-QOMWVZHYSA-N	419.441	1.596	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1cccc(O)c1	9359707	RTCJTAUAMXFRDT-DJKKODMXSA-N	410.419	1.821	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(Cl)cc1F)c1csc(N2CCOCC2)n1	12791153	WWNQKXUYTPXCBC-UHFFFAOYSA-N	420.875	1.396	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1	20211042	YGCAOQRNBBBOMN-UHFFFAOYSA-N	406.430	1.669	50	40	HDGB	
CCOC(=O)c1cnc(S[C@@H](C)C(=O)NNC(=O)c2ccc(C)cc2)nc1N	4125427	ZXVYNYGWKQVFJG-NSHDSACASA-N	403.464	1.486	50	40	HDGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	19690920	FFONAWTYPFFJQO-LJQANCHMSA-N	410.449	1.846	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21	2281402	QVSKCKBAFGMHFM-QQTULTPQSA-N	422.441	1.487	50	40	HDGB	
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)CCl)CC4)ncnc32)cc1	9851266	NKVXRNDMSOVSLT-UHFFFAOYSA-N	401.858	1.497	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21	18193414	GLKGJWOHCUCDPJ-DAFNUICNSA-N	406.442	1.543	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)c1	408775229	FQRIWUCXQVONTF-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OC(C)=O	408998005	PUMUNMDOXIDVBD-NVMNQCDNSA-N	414.256	1.165	50	40	HDGB	
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1O	1410697	XTFYLMXULMBPOG-IZZDOVSWSA-N	414.199	1.771	50	40	HDGB	
O=C(C[C@@H]1SC(=O)NC1=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	2201833	RVAWLGYNVOGSQE-VYXQJKENSA-N	413.411	1.803	50	40	HDGB	
COc1cc(C(=O)NNC(=O)CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)ccc1OC(C)C	103026119	GCRSGOLXNAFYHG-GJZGRUSLSA-N	415.446	1.195	50	40	HDGB	
COc1ccc(/C=N/NC(N)=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408925624	SKIXQWFCGRHKJG-VXLYETTFSA-N	406.420	1.424	50	40	HDGB	
CCOC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccco1	2314870	NSYXCWYWACQNOH-KQGZCTBQSA-N	409.423	1.087	50	40	HDGB	
CCNC(=S)NNC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1	3305157	MZAGQHTVZUVBMJ-UHFFFAOYSA-N	416.912	1.540	50	40	HDGB	
CCn1c(=O)n(CC(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)c2ccccc21	10164197	RPHFKRXLYAVENK-UHFFFAOYSA-N	404.430	1.674	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)Cc1cccc2ccccc12	12059982	DOQXIMRJGXQOLQ-UHFFFAOYSA-N	411.483	1.898	50	40	HDGB	
Cc1ccc(CN2CCN(CC(=O)N/N=C/c3ccccc3OCC(=O)O)CC2)cc1	19682559	MHWKFLXANDFBMU-ZVHZXABRSA-N	424.501	1.726	50	40	HDGB	
O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1C[C@@H]1CCCO1)[C@@H](Br)[C@@H]3Br	169293880	ASXVCDWGBDBHTH-LLTAESJISA-N	407.102	1.943	50	40	HDGB	
COc1ccc(/C=N/CCC[Si]23OCCN(CCO2)CCO3)c(OC)c1OC	195752863	UAYAZZQOHLSPHV-HMMYKYKNSA-N	410.543	1.839	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(I)cc1)c1cccnc1	226855134	JRKIQXJQRZAXEC-UHFFFAOYSA-N	403.201	1.310	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1	408720697	CLHZCBYWBLJXIM-LSHDLFTRSA-N	419.401	1.605	50	40	HDGB	
N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Cl)cc2)c2ccccc21	6140308	WNPRDTGICBJNPH-BWAHOGKJSA-N	409.833	1.851	50	40	HDGB	
Cc1ccc(C(=O)NCC(=O)NNC(=O)c2cc3c(s2)CCC3)cc1[N+](=O)[O-]	10623653	YTUIORIGHAXEQC-UHFFFAOYSA-N	402.432	1.644	50	40	HDGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O	15938656	YLUCSCVYBCAEQY-DKUKCOLRSA-N	402.794	1.934	50	40	HDGB	
COc1ccc([C@H]2C(C#N)(C#N)[C@@]2(C#N)C(=C(C#N)C#N)N2CCOCC2)cc1OC	35325205	PONNIQASMXQXBU-SIKLNZKXSA-N	414.425	1.978	50	40	HDGB	
N#CCc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	40144219	SAEHGMJDBWQRCZ-UHFFFAOYSA-N	412.471	1.612	50	40	HDGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCN1CCOCC1)[C@H](Br)C2=O	100868382	FIGCLBPFTABCJB-FSPWUOQZSA-N	401.345	1.984	50	40	HDGB	
COc1cc(CC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc(OC)c1OC	6025451	KLRRNBZXVBMPQX-UHFFFAOYSA-N	412.446	1.532	50	40	HDGB	
COC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(OCC(N)=O)c(OC)c1	6858357	GNKWNDDATLVUOJ-OAHLLOKOSA-N	407.810	1.033	50	40	HDGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1C	8039034	BLNRNKXRQCPLEZ-KRWDZBQOSA-N	409.442	1.661	50	40	HDGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c(C)c1	8039381	HNIUAVBWIIBILG-KRWDZBQOSA-N	409.442	1.661	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccncc2)c1COc1ccc(F)cc1	2323183	XMQVBTJNXUIZKF-LSFURLLWSA-N	423.368	1.110	50	40	HDGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/Nc1nncn1N	5853216	PXXBVVHOOLQGCC-DJKKODMXSA-N	402.286	1.739	50	40	HDGB	
Cn1c(=O)c2c(nc(SC[C@@H](O)CCl)n2CCc2ccccc2)n(C)c1=O	32937922	BYGMYEILNJYMDV-ZDUSSCGKSA-N	408.911	1.368	50	40	HDGB	
CCOc1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2)cc1OC	68889749	NVRWANGRYSBFQJ-ZDUSSCGKSA-N	421.475	1.222	50	40	HDGB	
COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(Cl)cc2)C1=O	408537895	XZGVRCHDPINHIE-IMRMQAIZSA-N	414.805	1.963	50	40	HDGB	
CCOc1ccc(-n2c(SCC(=O)NNC(C)=O)nnc2-c2cccnc2)cc1	4854980	SOIXVHOCCPINTG-UHFFFAOYSA-N	412.475	1.987	50	40	HDGB	
Cc1cccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	2621187	SFFAVBPOAMSEOQ-UHFFFAOYSA-N	413.419	1.432	50	40	HDGB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NNC(=S)NC[C@H]1CCCO1	2630382	FUTIEQCXEJOSBL-SNVBAGLBSA-N	401.414	1.729	50	40	HDGB	
CCOC(=O)N1CCN(C(=O)C(=O)N/N=C/c2ccc(Cl)cc2Cl)CC1	4679454	WDWCNQHQNTXHNW-VXLYETTFSA-N	401.250	1.744	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccco2)cc1S(=O)(=O)N1CCCC[C@@H]1C	8354554	QGPASJJFWOFDDX-ZDUSSCGKSA-N	421.475	1.926	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccoc2)nnn1-c1nonc1N)c1ccccc1	9293687	RGKRJGKJVIVXMV-AWQFTUOYSA-N	407.394	1.226	50	40	HDGB	
CCc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1S(=O)(=O)N1CCOCC1	12552550	PIEJHCJHQXCZIN-UHFFFAOYSA-N	419.507	1.434	50	40	HDGB	
CC(=O)NNc1nc(C)c(C(/C=C/c2ccc([N+](=O)[O-])cc2)=N\NC(N)=O)s1	17216006	DTWUVNOOVCLIDR-RMAQBEHBSA-N	403.424	1.909	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@H]3NS(=O)(=O)c3ccccc3)[C@@H]12	104073635	KGOZZWUUROJIPB-ISFYIQIJSA-N	400.250	1.063	50	40	HDGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	5266892	PZCPJGFXDJHVJC-UHFFFAOYSA-N	414.443	1.877	50	40	HDGB	
CCn1nc(C(=O)NNC(=O)Cn2ccc(C(F)(F)F)n2)c2ccccc2c1=O	6928493	UTKFGKPDMLATFF-UHFFFAOYSA-N	408.340	1.093	50	40	HDGB	
COCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1	8103442	BAZXLCMVYHNETA-OEAKJJBVSA-N	412.446	1.307	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N/N=C/c3cccc(O)c3O)C2)cc1	5164476	ZLMVEQYDAZXKEL-SVZNOHIVSA-N	417.487	1.957	50	40	HDGB	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	9576651	JGDVFKPDACVJQU-AXFHLTTASA-N	400.950	1.153	50	40	HDGB	
CNS(=O)(=O)c1cc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)n(C)c1	29708914	WZCRVUYMVRFESF-UHFFFAOYSA-N	424.548	1.729	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1ccc(O)c(O)c1)N/N=C\c1ccc(O)c(O)c1	104081314	QVKHLZCGWPLBJP-NGHQTVFFSA-N	400.391	1.280	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccc(Cl)cc1	7940179	LGUBJFBPTSOZJG-AWEZNQCLSA-N	421.881	1.825	50	40	HDGB	
O=C(NCCCCCCNC(=O)NNC(=O)c1ccco1)NNC(=O)c1ccco1	97944591	OJCKHIWBIQQSLA-UHFFFAOYSA-N	420.426	1.021	50	40	HDGB	
CCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc(C)c(C)c3c2=O)c2ccccc21	101088072	HAIIEQRHVRGWMG-QJOMJCCJSA-N	409.471	1.962	50	40	HDGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CCN2C(=O)c3ccccc3C2=O)cc1	5200540	IZZJNVHYCTYLLB-UHFFFAOYSA-N	408.458	1.980	50	40	HDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C/c1cc2c(cc1Br)OCO2	5612932	IECPLMIZVDWMLS-HAVNEIBRSA-N	410.184	1.741	50	40	HDGB	
O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc([N+](=O)[O-])o1	23109308	WTFXIFJWZDRXQG-UHFFFAOYSA-N	400.322	1.612	50	40	HDGB	
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1cccc([N+](=O)[O-])c1	32975530	WHKFPRIVSFVWBO-UHFFFAOYSA-N	411.823	1.873	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1	409329729	HMJIWFWKIASASF-ZBJSNUHESA-N	414.487	1.512	50	40	HDGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1	1057042	FKCBOLWJRHUVQF-CIAFOILYSA-N	411.470	1.931	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccccc1Cl	7940116	MXGLHVUCUAFICG-CYBMUJFWSA-N	415.833	1.697	50	40	HDGB	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1	12552941	OIFJSUXMDPFTFG-UHFFFAOYSA-N	402.476	1.268	50	40	HDGB	
Cc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	30750215	XRHYTHYVZLOYJQ-JCMHNJIXSA-N	414.531	1.760	50	40	HDGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H](NS(=O)(=O)c2ccccc2)[C@H]1Br	104073619	KGOZZWUUROJIPB-WXCVZDNMSA-N	400.250	1.063	50	40	HDGB	
C[C@H](NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccccc1	408686247	RDNUOSFCSHDUFE-VRRUFUMGSA-N	422.275	1.978	50	40	HDGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	408834790	LYHGQLSCNDACQZ-DXRSZSRVSA-N	410.474	1.918	50	40	HDGB	
COc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccccc3F)CC2=O)cc1	40060242	AAFYOTDUULGKFF-CYBMUJFWSA-N	401.394	1.414	50	40	HDGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2)cc1OC	58054444	NVRWANGRYSBFQJ-CYBMUJFWSA-N	421.475	1.222	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CC#N)cc1CN1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2	100747763	UEDDVLRDGRLRAV-RUCOVPFMSA-N	419.485	1.840	50	40	HDGB	
COc1ccc(CCN2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	101302921	CRRHYZXENZAUKK-GGNAOWBESA-N	402.925	1.574	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl	104800916	BZCJHELCTCGMTN-KTKRTIGZSA-N	420.274	1.530	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N/N=C/c3cccc(O)c3O)C2)cc1	3444024	ZLMVEQYDAZXKEL-GKXUUXLPSA-N	417.487	1.957	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cncn1-c1ccc(F)cc1	9128184	QXVUHOCEOQIMNW-UHFFFAOYSA-N	418.406	1.406	50	40	HDGB	
C[C@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccsc2)nnn1-c1nonc1N	34914108	QFEZZVPNHRHOEA-VDZJHUJMSA-N	415.483	1.432	50	40	HDGB	
O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1cccc([N+](=O)[O-])c1	408730576	IHFHYFGOSWOFJJ-OMCISZLKSA-N	417.234	1.881	50	40	HDGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)c1	59459775	NCLRJWPMDZVMDP-VXLYETTFSA-N	402.363	1.709	50	40	HDGB	
COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)cc2)c2ccccc21	5305799	OFKYPCAEZNSUER-HNENSFHCSA-N	404.426	1.883	50	40	HDGB	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)c3cc4c(s3)CCCC4)ccc21	9885391	MRSNIYUWCWLIKI-UHFFFAOYSA-N	412.471	1.725	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1OC	15014071	RXSMYUTWYKVGOC-SRZZPIQSSA-N	416.390	1.127	50	40	HDGB	
CCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2Cl)n1	27666331	JCHSOVYQUJYKQF-UHFFFAOYSA-N	403.247	1.652	50	40	HDGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	58873009	OYIKOGIWCNNZJL-CFRMEGHHSA-N	412.421	1.986	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	3547480	YJHDWJGBTZXUHB-UHFFFAOYSA-N	411.867	1.674	50	40	HDGB	
CNC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	12767997	AZQDZYCRULYUPI-UHFFFAOYSA-N	407.517	2.000	50	40	HDGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1ccccn1)c1ccc(Br)cc1	40069439	DJOHOFFCNMDIPP-CYBMUJFWSA-N	406.240	1.405	50	40	HDGB	
O=C(NNS(=O)(=O)c1cc2c3c(cccc3c1)C(=O)NC2=O)c1ccc(O)cc1	41124601	OHMSDXRQRGHWIW-UHFFFAOYSA-N	411.395	1.052	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Br)c1OCC#N	409000625	UKLNCOXKOJMJNZ-GRSHGNNSSA-N	411.256	1.142	50	40	HDGB	
N#Cc1ccc(Nc2nc(C3CCN(Cc4cccc(B(O)O)c4)CC3)cs2)cn1	585294521	HSGLTPZLFPJBDH-UHFFFAOYSA-N	419.319	2.213	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1	6544426	GFSZJEYOAKFRQJ-UDWIEESQSA-N	419.459	1.253	50	40	HDGB	
O=c1n(Cc2ccccc2)c(=O)n2n1[C@@H]1C[C@@H]2[C@@H](Br)[C@H]1Br	100930666	JNSLTQBHEOJKMD-KKOKHZNYSA-N	415.085	1.886	50	40	HDGB	
COC(=O)CN1C(=O)/C(=N\NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21	5703418	ZCTHBMXOMGKHHO-ATJXCDBQSA-N	411.414	1.286	50	40	HDGB	
CCOC(=O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC	409002188	YUQUKARSWKCCIN-JMIUGGIZSA-N	413.858	1.073	50	40	HDGB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	9576646	JGDVFKPDACVJQU-GARJFASQSA-N	400.950	1.153	50	40	HDGB	
COc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1O	108204675	ULGFSOXQXKRJTD-MOSHPQCFSA-N	405.476	1.355	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	408921040	BQPHSOHQJLHEIO-CPNJWEJPSA-N	420.447	1.910	50	40	HDGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1C	3535044	PTMUQNLKTDJCLJ-JDZKTDJGSA-N	407.492	1.268	50	40	HDGB	
O=C(N/N=C/c1ccn(CC(F)(F)F)n1)c1n[nH]cc1I	252498981	RSGNBEFZROUGRK-CRKCGEKBSA-N	412.113	1.537	50	40	HDGB	
O=C(CI)Nc1cc2nc(O)[nH]c2cc1N1CCOCC1	408528462	HRKLSLPROYAPIA-UHFFFAOYSA-N	402.192	1.479	50	40	HDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1	409262368	IDWSNGBWIYBHCR-GCMSVZMUSA-N	410.474	1.747	50	40	HDGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	12976042	FQHQJFUZZDZEDT-UHFFFAOYSA-N	408.414	1.191	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1cccc(Cl)c1	16248258	BIFMJAJITDMECP-UHFFFAOYSA-N	406.851	1.579	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)cc1	20060426	MOEOKGYGMHBFMM-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2c(c1)OCO2	102729179	HWBYSHSSGBWCRW-LIOBOASVSA-N	415.427	1.107	50	40	HDGB	
COc1cccc(C(=O)N/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1	408753537	JJFWMNNHDMVYFG-SJJOQSKNSA-N	410.455	1.783	50	40	HDGB	
C=CCN1/C(=N/C=C(\C#N)C(=O)Nc2ccccc2)S[C@@H]2CS(=O)(=O)C[C@H]21	5489455	PRIXKDMTXLULIF-NXTMELMQSA-N	402.501	1.789	50	40	HDGB	
O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	101852191	DJGXXTSKTYGBGN-STQMWFEESA-N	403.391	1.294	50	40	HDGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2nsnc2N2CCOCC2)cc1	716090	ZBEBQCPANUVUKS-DEDYPNTBSA-N	418.523	1.750	50	40	HDGB	
COc1cccc(C(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)c1	8475311	OMZQOXFLCMSYFW-YPJCMCBPSA-N	409.232	1.992	50	40	HDGB	
O=S(=O)(CBr)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	95982971	RZGALMXJNDGVJL-UHFFFAOYSA-N	417.734	1.329	50	40	HDGB	
C[C@@H](C(=O)N/N=C/c1cccc2c1OCCO2)N(c1ccccc1)S(C)(=O)=O	408908725	YGQFGIWKNMAKHZ-ZXOFLVKFSA-N	403.460	1.763	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)cc(I)c1O	409154149	FXUMOSKQXFKYDM-REZTVBANSA-N	419.219	1.228	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC	5514321	JEFGUZXHHKYPIC-CIAFOILYSA-N	400.391	1.421	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21	5890844	GFWMAKOTZYPJBQ-VDGHJGSRSA-N	418.453	1.878	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	31870540	PCIFCVSBLZZYFL-INLLTYMYSA-N	414.374	1.010	50	40	HDGB	
COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)c1	408529275	COTPIQLORSOLCF-LKKXKRCMSA-N	414.805	1.963	50	40	HDGB	
O=C(CCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cc2ccccc2cc1O	6581472	TZNVNFQUBCHVSU-UHFFFAOYSA-N	403.394	1.993	50	40	HDGB	
COc1ccc(N2C(N)=C(C#N)[C@@]3(C(=O)Nc4ccccc43)C3=C2COC3=O)cc1	20737667	UVGCFXBILKOUSX-JOCHJYFZSA-N	400.394	1.910	50	40	HDGB	
COc1cc2c(cc1OC)CN(CC(=O)NNC(=O)COc1cccc(C)c1)CC2	95971391	JYUJUXDKIPBDKE-UHFFFAOYSA-N	413.474	1.597	50	40	HDGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1C[C@@H]1CCCO1	100801004	ASXVCDWGBDBHTH-VGSIVGRISA-N	407.102	1.943	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)ccc1OCC(=O)N1CCOCC1	409020536	QGUUWFXGEDVWMJ-OEAKJJBVSA-N	412.446	1.482	50	40	HDGB	
COc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1	8036969	OHPMHASOAWKZRW-HNNXBMFYSA-N	411.414	1.053	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1ccc(OC)cc1	59490264	NSXFZGDRAAVRGC-RGVLZGJSSA-N	419.459	1.730	50	40	HDGB	
COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCCl)c(=O)n2C)c(OC)c1	1554503141	HUKIFAXWPAMWHZ-UHFFFAOYSA-N	419.869	1.695	50	40	HDGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc(F)cc1	3254848	SWHCLEAAKUCMLU-UHFFFAOYSA-N	422.438	1.313	50	40	HDGB	
CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	32779937	SPICFXZHYKFEBL-SFHVURJKSA-N	412.471	1.315	50	40	HDGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	58874007	YESXIAZUOVXJEL-WSDLNYQXSA-N	400.435	1.293	50	40	HDGB	
COc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)N3CCOCC3)c3ccccc32)cc1	2355182	CJDIJIVTNLQWGJ-VXPUYCOJSA-N	416.437	1.979	50	40	HDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(-c2ccccc2)n[nH]1	9156572	WUHQZHLXELVZOP-KRWDZBQOSA-N	403.442	1.886	50	40	HDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)c(OC)c1	409263069	KCJSCSLOAMMHMG-STCDJXRXSA-N	404.467	1.061	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12	585080939	QRDICMLIQYLTGQ-GIYJESFFSA-N	403.435	1.585	50	40	HDGB	
CC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	4499604	XSQWZNBVITXXNO-GJZGRUSLSA-N	400.520	1.624	50	40	HDGB	
C[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	13134902	RICNMDPJLFPUFM-JTQLQIEISA-N	417.809	1.404	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	20060355	QACRSRFSNPTADW-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
O=C(CN1C[C@H](c2ccccc2)CC1=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	408973408	MPCQPZBOWHPIKE-MNPVBQOISA-N	410.386	1.790	50	40	HDGB	
CCC(=O)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc(C)cc1	849992	SJMPTEWAYQXFIM-UHFFFAOYSA-N	407.473	1.576	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)cc1OC	5246350	KDTYOMDILROBAZ-LJQANCHMSA-N	410.474	1.954	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\C1=Cc2ccccc2OC1	13810875	FGURFCAZBMEGHH-KGTJKXQDSA-N	410.451	1.785	50	40	HDGB	
COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)c1	33580131	SIKLGVQKMKHAOO-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
COc1ccc(OC)c(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1	33733767	YBKDYALEDYQYSX-STZFKDTASA-N	419.503	1.658	50	40	HDGB	
C[C@@H]1CCCCN1Cc1c(C(=O)N/N=C\c2ccsc2)nnn1-c1nonc1N	34914107	QFEZZVPNHRHOEA-DLGFXHSSSA-N	415.483	1.432	50	40	HDGB	
COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC	100097141	QVHQKRHVWRRDGC-CQSZACIVSA-N	417.393	1.418	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)ccc21	102288948	YOBNLVQESAHJEF-GASCZTMLSA-N	409.446	1.077	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	408777022	USAGDROHLDNVLF-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1	409252855	FGPUIMRIXTZQCF-YDZHTSKRSA-N	408.458	1.995	50	40	HDGB	
O=C(COCC(=O)Nc1cccc(Br)c1)NNC(=O)c1cccnc1	4681214	UMYCEJZNMZLIRJ-UHFFFAOYSA-N	407.224	1.260	50	40	HDGB	
CCCN1C(=O)/C(=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)c2ccccc21	6879389	LVZCVZFGGOQONU-LKUDQCMESA-N	421.457	1.452	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)cc1OC	10216171	JVSIFSQPGBMPLZ-LBPRGKRZSA-N	419.409	1.188	50	40	HDGB	
CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@]21C(=O)Nc2ccc(Br)cc21	79477959	HFYRRSVQJNGLMH-KRWDZBQOSA-N	401.220	1.526	50	40	HDGB	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2cccc([N+](=O)[O-])c2)C1=O	408532589	QJZSFMYCQSBDDF-GXDHUFHOSA-N	409.358	1.305	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCCC#N)c3ccccc32)cc1	5891688	NRJQACOGJDAUJS-QOMWVZHYSA-N	419.441	1.596	50	40	HDGB	
COc1ccc(C(=O)N/N=C/C(/C=N/NC(=O)c2ccc(OC)cc2)[N+](=O)[O-])cc1	105755802	BNKFLDOEBMZCMV-HGEIODPWSA-N	413.390	1.481	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1	408925793	PYAGOWWOCLHBHI-UDWIEESQSA-N	419.459	1.398	50	40	HDGB	
O=C(COC(=O)CNC(=O)c1cccc(OC(F)F)c1)NNC(=O)c1ccccc1	9670882	DMLWQJGLNTXASD-UHFFFAOYSA-N	421.356	1.022	50	40	HDGB	
COc1cc(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)ccc1C	12881193	YIRHHSFUWCPKQP-UHFFFAOYSA-N	419.503	1.323	50	40	HDGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc(O)c(O)c2)cc1OC	100923145	WEQQFUKDORXAFQ-YDZHTSKRSA-N	415.446	1.970	50	40	HDGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1	891448	LOCAXMGQTOVWIA-UHFFFAOYSA-N	403.460	1.091	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1	4086434	ODXNSXBCXCRCQE-CIAFOILYSA-N	402.476	1.125	50	40	HDGB	
CSc1ccc(N2C[C@H](C(=O)NNS(=O)(=O)c3ccccc3)CC2=O)cc1	12942928	SLZPIKKHOCPRSJ-CYBMUJFWSA-N	405.501	1.771	50	40	HDGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	59960451	SQMNNXGREYHEGD-UCQKPKSFSA-N	400.479	1.657	50	40	HDGB	
C/C(=N/NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc([N+](=O)[O-])cc1	85874417	CPNRBPJRYWYHTA-VYZAVGSRSA-N	408.418	1.469	50	40	HDGB	
CCc1cc2c(=O)n(CC(=O)N/N=C3/C(=O)N(CC)c4ccccc43)cnc2s1	101088191	CWAYKZNTXIYUAW-HAVVHWLPSA-N	409.471	1.907	50	40	HDGB	
COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCO2	105446179	SKAMZHUNPQAUSY-FSJBWODESA-N	412.402	1.883	50	40	HDGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc1	223159094	HOQUZCNTZQXSPY-NHDPSOOVSA-N	415.402	1.588	50	40	HDGB	
CCOc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(OC)cc1	6355760	YDFJTNLAUIYIQT-DEDYPNTBSA-N	405.476	1.865	50	40	HDGB	
CCNC(=S)NNC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1	13101694	SFMAUFXNFNVTNY-UHFFFAOYSA-N	412.581	1.699	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccncc3)nnn2-c2nonc2N)c1	13788311	LADZMIJKHDNJPA-SSDVNMTOSA-N	419.405	1.457	50	40	HDGB	
CC(=O)NNc1nc(C)c(C(/C=C/c2ccc([N+](=O)[O-])cc2)=N/NC(N)=O)s1	16958142	DTWUVNOOVCLIDR-IYYWNBDZSA-N	403.424	1.909	50	40	HDGB	
COCc1c(Br)c(C)n(CC(=O)N/N=C/c2ccco2)c(=O)c1C#N	59639766	OKRLBVACWIETBS-FBCYGCLPSA-N	407.224	1.681	50	40	HDGB	
O=C(COCC(=O)N/N=C1/C(O)=Nc2ccccc21)N/N=C1\C(O)=Nc2ccccc21	4458429	VYKPNWYFKYBAKO-UHFFFAOYSA-N	420.385	1.247	50	40	HDGB	
O=C(COC(=O)C[C@H]1Sc2ccccc2NC1=O)NNC(=O)c1cccs1	12424982	BXWCYMDXPGMXFE-CYBMUJFWSA-N	405.457	1.555	50	40	HDGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1ccc(OC)c(OC)c1	3081713	RFUUMKQLRKNQFV-UFFVCSGVSA-N	416.390	1.501	50	40	HDGB	
O=C(NC[C@@H]1CCCO1)NNC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1	65145905	JTRJSKIXWJWRED-IINYFYTJSA-N	401.250	1.996	50	40	HDGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	408913232	SFIZVRJTRFBCSK-ZMPUUUETSA-N	412.446	1.358	50	40	HDGB	
CCOC(=O)Cc1[nH]nc2c1[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	663142	ABIURWMIYGFDTJ-OAHLLOKOSA-N	414.418	1.759	50	40	HDGB	
COc1cccc(C(=O)NCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c1	4079633	PTKUZUFCOIQKFB-SSDVNMTOSA-N	401.419	1.601	50	40	HDGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	4180711	RPXFCSLELPEROU-FYJGNVAPSA-N	414.418	1.969	50	40	HDGB	
CC1CCN(Cc2c(C(=O)N/N=C/c3cccs3)nnn2-c2nonc2N)CC1	2335473	IVPFKPUOBWQDKL-DJKKODMXSA-N	415.483	1.290	50	40	HDGB	
CCCCC(=O)NN/C=C1/C(=O)N(CCc2ccc(OC)c(OC)c2)C(=O)N=C1O	8739088	GIMRAXJXHOXXLC-WYMLVPIESA-N	418.450	1.860	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1Br	13148426	MECOLYVIRPIKIJ-UHFFFAOYSA-N	413.249	1.844	50	40	HDGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	13618061	JJEHZKSDDBQEDH-UBZKEQBWSA-N	409.398	1.257	50	40	HDGB	
COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1	17088818	DECPKMXHBXDVJY-PDGQHHTCSA-N	411.393	1.695	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1)NC[C@H]1CCCO1	28214322	AIHVINVNKYUONZ-QNDYCBLQSA-N	402.495	1.297	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCC(=O)N1CCOCC1	409010717	DENCKBSSZAOJDZ-QRVIBDJDSA-N	412.446	1.279	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(O)cc3O)CC2)cc1	1059787	QXBBQUKRFMXNGZ-FYJGNVAPSA-N	417.487	1.957	50	40	HDGB	
O=C(COC(=O)c1ccccc1OC(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1	6217239	BPSDGHYMRMWWMM-UHFFFAOYSA-N	409.301	1.814	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)cc1	6841405	BESFQTIUICVNRI-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCc3c(C)nc4ncnn4c3C)ccc21	19169041	JNGIBTUNWXKOIA-UHFFFAOYSA-N	420.477	1.813	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)cc1OC	408768925	MEBLHXDCNDGMLJ-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2cccc(F)c2)c2ccccc21	6231310	DMDIUMAGLHGSSE-XHPQRKPJSA-N	407.405	1.726	50	40	HDGB	
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)Cc2ccccc2)cc1	11594370	GHVFDXVBLIFAMV-GOSISDBHSA-N	417.487	1.238	50	40	HDGB	
COc1cccc([C@@H](NC(=O)NNC(=O)Cc2csc(C)n2)c2nccn2C)c1	40071885	CLDGKSBZPBPEHH-QGZVFWFLSA-N	414.491	1.856	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OC	408768521	XOPFWEPFAZOEBW-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
C=CCNC(=O)/C(C#N)=C\c1c(N2CCN(CC)CC2)nc2c(C)cccn2c1=O	26841945	XTQZWRMBTLWCRW-VKAVYKQESA-N	406.490	1.354	50	40	HDGB	
COc1ccccc1N/C=C1/C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C	103516777	DUYFXLRYCSZJSB-QQFZQELXSA-N	401.444	1.387	50	40	HDGB	
O=C(CSc1ncccn1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	4083283	YCTJQQQGDKOEEC-RGVLZGJSSA-N	402.436	1.464	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1O	408769400	SXVWJIJFDHIFJX-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)ccc1O	408773256	QFLVQVDADWYFJZ-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3cccc(O)c3)c(C)c(C#N)c2=O)cc1	409061243	CDELZSKQEOVBSX-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)C(=O)NC(N)=O	409236136	DKFGZDFXDGEHJY-XFSBKJJWSA-N	402.588	1.668	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccsc3)nnn2-c2nonc2N)c1	13804683	VAELMBNWHPGODV-UFWORHAWSA-N	410.419	1.734	50	40	HDGB	
CCOc1cc(C(=O)NNC(=O)CNC(=O)C(C)(C)C)cc(OCC)c1OCC	26958434	RQWGRDYKLUDZMQ-UHFFFAOYSA-N	409.483	1.806	50	40	HDGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1	6603035	HAZZXCNCDKYGPH-CYBMUJFWSA-N	404.810	1.629	50	40	HDGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c1	20208381	HNGNOHKRPRQVLT-CIAFOILYSA-N	417.487	1.991	50	40	HDGB	
COc1ccccc1NCC(=O)NNC(=O)[C@H](C)NC(=O)c1ccccc1Cl	32883649	BSAXOBRYRCJARS-LBPRGKRZSA-N	404.854	1.726	50	40	HDGB	
COc1ccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	857239	WNZREEZAFLMSKD-INIZCTEOSA-N	403.822	1.680	50	40	HDGB	
O=C(CCl)N[C@@]1(C(F)(F)F)C(=O)Nc2c1c(=O)nc(O)n2Cc1ccccc1	1851627	QAWRQMQWGVSNJG-OAHLLOKOSA-N	416.743	1.062	50	40	HDGB	
C/C(=N/NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc2ccccc2c1	4871024	WDAJLGNGIQIDAO-QRVIBDJDSA-N	404.430	1.127	50	40	HDGB	
O=C(CNC(=O)c1cccc(OC(F)F)c1)NNC(=O)[C@H]1COc2ccccc2O1	21875231	OSUHWGPRSBBYHA-OAHLLOKOSA-N	421.356	1.005	50	40	HDGB	
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)OCC(Br)Br)C1	59568560	MBCWQHPYULWERD-UHNVWZDZSA-N	415.556	1.398	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1	59921995	QQUZNRXPRUNOLZ-DJKKODMXSA-N	423.210	1.919	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCC(N)=O	83292773	PHNOYSKAJOIKIL-JJFYIABZSA-N	401.419	1.731	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1[N+](=O)[O-]	409115521	RYAIRHQUEMJKMI-VXLYETTFSA-N	424.410	1.659	50	40	HDGB	
CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1OC	6539112	HMCQLWZCRVCSHR-DEDYPNTBSA-N	405.476	1.865	50	40	HDGB	
O=C(COC(=O)CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1cccs1	6944116	ABPYVNUMTBWEPZ-UHFFFAOYSA-N	415.427	1.129	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)CNC(=O)c2cccc(C)c2)ccc1OCC(N)=O	35415584	DQOUVUQHESXULG-MYKKPKGFSA-N	412.446	1.138	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1C	39986733	WLSAJRYGUBATQP-ODLFYWEKSA-N	420.447	1.683	50	40	HDGB	
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)OCC(Br)Br)C1	59568561	MBCWQHPYULWERD-RFZPGFLSSA-N	415.556	1.398	50	40	HDGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	409157522	QZOWEMWYCFVTHA-OEAKJJBVSA-N	424.457	1.321	50	40	HDGB	
COC(=O)C1=CC(=O)N2C(N)=C(C#N)[C@H](c3ccccc3)C(C(=O)N(C)C)=C2S1	1408471	JWLSYCMRYIJGLO-HNNXBMFYSA-N	410.455	1.410	50	40	HDGB	
CN(C)c1ccc(C(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1	2396665	LEUNSIGSTUCNJM-ATJXCDBQSA-N	407.474	1.523	50	40	HDGB	
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	3524891	SKROFTGDVIPGND-AWEZNQCLSA-N	412.402	1.808	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21	5739109	PYJRHUWGCJZQTP-DAFNUICNSA-N	408.458	1.631	50	40	HDGB	
NNC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1	5808990	QCNYSNQEILUJLA-VVRYKASASA-N	418.251	1.556	50	40	HDGB	
O=C(Cc1ccc(Cl)cc1)NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21	9076312	OUHDIXKGBNOHQH-UHFFFAOYSA-N	415.793	1.380	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1cccc(Br)c1	20209762	YSSZBSTXMQBGAM-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1O	408780992	PILLYDUJDYQUII-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
CCc1c(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cnn1-c1ccc(O)nn1	12985613	JJGBITKOLJKVGI-LLVKDONJSA-N	414.397	1.298	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(O)c(OC)c2)cc1C	39986670	CXMONHAQTPXHFG-JAIQZWGSSA-N	421.475	1.489	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)ccc1O	105576276	ZEWBZXOZGMFMHX-MOSHPQCFSA-N	405.476	1.355	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCC(=O)N3CCCC3)c2)cc1	409268523	VADXEOSCWUWUBG-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
COc1cc(C(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	2676433	MKDSZXSGKNZLIR-UHFFFAOYSA-N	420.418	1.813	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(C)(=O)=O	5880617	IXPWPHBYJWQJTQ-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1OC	20060240	BPTZMOBTVNXWAI-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1C	2340208	PQQMEIGFULBXKE-BLLMUTORSA-N	411.209	1.620	50	40	HDGB	
COc1cc(OC)cc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	3302904	BOWMEMVKKYOQOX-UHFFFAOYSA-N	403.347	1.230	50	40	HDGB	
O=C(C[C@H]1Sc2ccccc2NC1=O)NNC(=O)Cn1ccc(C(F)(F)F)n1	7987663	JXQABFFAYXIFDE-LLVKDONJSA-N	413.381	1.552	50	40	HDGB	
O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	9915610	FKOZSRHGPHGZIR-UHFFFAOYSA-N	419.488	1.268	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1ccc(F)cc1	20211965	DPTYZJGJBDOBQO-RGVLZGJSSA-N	407.423	1.513	50	40	HDGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1C(=O)O	33581835	WNENXVFDZCQHRC-MOSHPQCFSA-N	403.460	1.339	50	40	HDGB	
CC(C)[C@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100550282	UHELJJROQHDVDG-TUCGKBJFSA-N	423.101	1.874	50	40	HDGB	
CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC	408992398	AZYUUPMJAVIVDF-ZDLGFXPLSA-N	400.273	1.639	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)cc1	409023670	BHLIUXCOEWPVHJ-UDWIEESQSA-N	405.476	1.880	50	40	HDGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)C(C)(C)C	24312039	ZZZMVGPORLTMPZ-JTQLQIEISA-N	400.273	1.526	50	40	HDGB	
CC1(CC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)OCCO1	28214489	BETDHLQQVKZCIK-BUVRLJJBSA-N	411.458	1.985	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCC(N)=O	408968146	ZQYSVVIKWSWILA-ZVBGSRNCSA-N	412.358	1.978	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1O	409251615	ARLAKWKQFHZYGX-ODCIPOBUSA-N	405.794	1.549	50	40	HDGB	
CCOC(=O)CN(NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)c1cccc([N+](=O)[O-])c1	1920329	HGBIVRNHUXPJKX-UHFFFAOYSA-N	416.346	1.853	50	40	HDGB	
C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NNC(=O)c1cccs1	7731418	LVWOYEIFZHXMMM-JTQLQIEISA-N	409.851	1.524	50	40	HDGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)c3nccnc3N)cc2)n1	9995883	SXEAYDZKXHATNB-UHFFFAOYSA-N	409.475	1.833	50	40	HDGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1ccccc12	12857272	LMNDITLJHOZVOV-OAQYLSRUSA-N	409.398	1.537	50	40	HDGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)CCN1C(=O)NC2(CCCC2)C1=O	14181758	GNQGTZXPDFKBAH-UHFFFAOYSA-N	402.451	1.084	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)c1	19954419	ABCREUDEVPKHIE-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1	408532564	IIXORIGFLHYDRI-ZTBJCTOSSA-N	421.413	1.568	50	40	HDGB	
Cc1nn(C[C@H](C)C(=O)N/N=C/c2c(Br)cnn2C)c(C)c1[N+](=O)[O-]	2782808	HURRABLYTAFXPO-IYRRMDOYSA-N	412.248	1.691	50	40	HDGB	
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)cc1	4857945	OJMULWRXUVPHFR-LFIBNONCSA-N	408.414	1.917	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)cc(Br)c1O	5953399	CZUJKAHORCLJQL-GIJQJNRQSA-N	402.245	1.156	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c(C)o1	12897616	XPRMFNGWKBLGGB-GIPWTMENSA-N	404.467	1.794	50	40	HDGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	409015807	BMYGEUOXHNIZPW-BKUYFWCQSA-N	414.418	1.969	50	40	HDGB	
Cc1ccc(C(=O)NNC(=O)c2ccncc2)cc1S(=O)(=O)N1CCCCC1	13016272	QEPYZTHPDPWKFP-UHFFFAOYSA-N	402.476	1.639	50	40	HDGB	
COC(=O)COc1cccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1	20207367	OHONTXDKDPENDQ-UDWIEESQSA-N	419.459	1.155	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	89438738	RTHUESKZEGVWSL-UHFFFAOYSA-N	417.487	1.945	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccccc1C	409266815	YPXGSXXLPGSONV-FSJBWODESA-N	424.457	1.750	50	40	HDGB	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O1	2212089	NIPZAGZTNJYGCE-KRWDZBQOSA-N	418.402	1.510	50	40	HDGB	
O=C(COC(=O)c1cc(=O)c2ccccc2o1)NNC(=O)c1ccc([N+](=O)[O-])cc1	3472220	MIRRDFYSZGSNKD-UHFFFAOYSA-N	411.326	1.319	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc(Cl)c1	7384488	QXNQSPDBZVUVLZ-UHFFFAOYSA-N	416.912	1.565	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccccc1Cl)c1csc(N2CCOCC2)n1	7384537	OVQVOVVBTVQCPK-UHFFFAOYSA-N	402.885	1.256	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)ccc1O	408782883	KGXRRGUEJQBRSC-RGVLZGJSSA-N	421.475	1.634	50	40	HDGB	
COc1cc(OC)cc(C(=O)NN(CCC#N)C2=NS(=O)(=O)c3ccccc32)c1	2121732	LJQJPGAWLBZXAG-UHFFFAOYSA-N	414.443	1.713	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(=O)N1CCOCC1	1066051	JHQXKHAQHBPDRB-KRWDZBQOSA-N	411.418	1.776	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3cccnc3)CC2)cc1	4217977	MGDXGQFJUGIJLK-UHFFFAOYSA-N	402.476	1.252	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O	4996133	KGMFURLJTTWPFB-KEBDBYFISA-N	419.459	1.649	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1S(=O)(=O)N1CCCC1	6602891	MEODDOURIAYJSA-UHFFFAOYSA-N	409.508	1.821	50	40	HDGB	
CCCNC(=O)/C(C#N)=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	9423369	JVRYXABZJPSBCM-HDBQDIKRSA-N	404.517	1.695	50	40	HDGB	
CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	58884436	NWYLBCGQMKHILL-XKZIYDEJSA-N	402.495	1.879	50	40	HDGB	
NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br	4592765	TVEFIIBCQCHIQM-QPEQYQDCSA-N	404.220	1.939	50	40	HDGB	
Cc1cc(=O)oc2cc(OCC(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc12	6310525	YBENYOLHMUDQBU-SFHVURJKSA-N	410.382	1.468	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccccc1O	9289070	JDMSFTGAWVCYKO-DJKKODMXSA-N	410.419	1.821	50	40	HDGB	
N#CC(C(=O)COC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)=C1Nc2ccccc2N1	103126012	SNTBZHKNPIEXSD-KBPBESRZSA-N	422.441	1.937	50	40	HDGB	
COc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC	5532917	MSCKASQQZSGPBY-QVTJDRNWSA-N	416.455	1.483	50	40	HDGB	
O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1cc(Cl)ccc1O	10626909	XCLKEZIWXXALQY-UHFFFAOYSA-N	408.842	1.451	50	40	HDGB	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1	11334498	HGRRREJLLLGTTP-CQSZACIVSA-N	407.471	1.777	50	40	HDGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)cc1	12523403	KCOWTODRVZNTTE-UHFFFAOYSA-N	415.494	1.549	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)c1ccc(Br)cc1	20209874	DJPRVWSMQNIJJJ-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
CC1(C)OC[C@@H]2O[C@]3(CO)N[P@](=O)(N(CCCl)CCCl)O[C@@H]3[C@@H]2O1	301054459	RAVBQBANJNGDDK-RKKRYWFUSA-N	405.215	1.101	50	40	HDGB	
O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)c1ccccc1	3552762	GAQQSJFAMUPYRN-UHFFFAOYSA-N	412.370	1.301	50	40	HDGB	
O=C(COc1ccc(Br)cc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1	9144626	PYDODEBJMRGEIW-UHFFFAOYSA-N	424.207	1.963	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc3cc(C)ccc3[nH]2)cc1	29561580	QLYBONZOMQOVJG-UHFFFAOYSA-N	414.487	1.866	50	40	HDGB	
O=C(O)c1cc([N+](=O)[O-])c2c(c1)P(=O)(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1O2	104058671	ARNVHVZLQVIVSB-UHFFFAOYSA-N	410.187	1.226	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O	408905974	BOHADCMQHWSHEV-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	9576650	JGDVFKPDACVJQU-DCAQKATOSA-N	400.950	1.153	50	40	HDGB	
Cc1cc(C)cc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)c1	16269036	JHHRPUKDRHJUSP-UHFFFAOYSA-N	400.460	1.542	50	40	HDGB	
COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(CCC#N)c3ccccc32)c1	5996391	ZVKUWBFWFNOQAU-PLRJNAJWSA-N	405.414	1.206	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCC(N)=O	6960685	HIXWMUJZXNKMMK-ZVBGSRNCSA-N	417.491	1.599	50	40	HDGB	
O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(Br)cc1	13011583	SSSGRWLNCUEZRF-UHFFFAOYSA-N	409.240	1.075	50	40	HDGB	
CC(C)N1CC=C2[C@H](C1)[C@@H](c1ccc(OCC(N)=O)cc1)C(C#N)=C(N)C2(C#N)C#N	20459414	SFFYNDYHINSGJI-RXVVDRJESA-N	416.485	1.684	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccco1	105476743	NDKOYHZVBLDLIY-SJGMLKTKSA-N	408.292	1.913	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)CC1	408924511	JLMWNIXPJLMOFC-UHFFFAOYSA-N	407.323	1.957	50	40	HDGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(O)cc1O)OCc1ccccc1	408991243	PXCHYITUUQXMAP-ATXJHCGVSA-N	423.429	1.809	50	40	HDGB	
COc1ccc([C@H]2C(C#N)=C(N)Nc3c2c(=O)n(C)c(=O)n3C)cc1Br	409088539	GAWKAGIVBGTFMI-LBPRGKRZSA-N	418.251	1.106	50	40	HDGB	
O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccncc1	32118599	UDWDNXWBOVXYDB-DUXPYHPUSA-N	405.823	1.992	50	40	HDGB	
C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccco1	36006863	ABABJSZOBHTYFS-SILNSSARSA-N	404.492	1.435	50	40	HDGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c2ccccc2c1=O	7380644	WKSIHBJXTFLIMM-UHFFFAOYSA-N	404.423	1.569	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1	8167735	WMWVPMJDTUTVJZ-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
Cc1ccccc1C(=O)NNC(=O)c1nc(S(C)(=O)=O)ncc1Br	28287125	OJMTWFCGLGMMBA-UHFFFAOYSA-N	413.253	1.026	50	40	HDGB	
C=CCN1C(=O)/C(=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c2ccccc21	100717436	QVSKCKBAFGMHFM-LKUDQCMESA-N	422.441	1.487	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)cc1Cl	408777304	XVXZJILVWPFNHF-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NNC(=O)c1cc(Br)ccc1O	16693832	WGURPBBNZNIGDG-GHXNOFRVSA-N	405.208	1.112	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)cc1OC	36020555	LHNORKPHBGVPNW-AWQFTUOYSA-N	402.363	1.198	50	40	HDGB	
Cc1csc(=O)n1CC(=O)NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1	40477455	TYAJLCSMCSASAT-UHFFFAOYSA-N	411.383	1.127	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1cc2c(s1)CCC2	48344599	GAEFCPQIFQLINE-HNNXBMFYSA-N	419.528	1.851	50	40	HDGB	
COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccccc32)cc1	100355675	XZFYGBLFTTXMSZ-ZNMLRDJYSA-N	409.446	1.432	50	40	HDGB	
N#C/C(=C\NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(N)=O	102956903	OVMCLUCTATWATD-ZHACJKMWSA-N	402.461	1.062	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)c1	408786240	MVEXKCDPAGMLEG-CPNJWEJPSA-N	420.447	1.910	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)o1	2395458	NCEXYJPDWBSPTR-UFFVCSGVSA-N	421.421	1.534	50	40	HDGB	
Cn1cccc1CC(=O)NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	9439144	SRTKTAOJAZQYIS-INIZCTEOSA-N	424.910	1.222	50	40	HDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)C1CCN(C(=O)c2cccs2)CC1	12853102	ZOUCRMZTACBMNC-INIZCTEOSA-N	415.471	1.588	50	40	HDGB	
Cc1cccc(C)c1OCC(=O)NNS(=O)(=O)c1ccc2c(c1)OCCCO2	13041437	CMRSECDZLPYTKC-UHFFFAOYSA-N	406.460	1.853	50	40	HDGB	
O=C(N/N=C\c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1ccccc1F	31948269	LYPDVPJTEYILQL-QRVIBDJDSA-N	412.421	1.916	50	40	HDGB	
Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)c3cccc(N(C)C)c3)C(=O)NC2=S)cc1	408752452	ARTYLOCRVUWESG-MTEVNVADSA-N	423.498	1.841	50	40	HDGB	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NNC(=O)c1ccccc1F	1085601	XXIFREHTPSPCDS-UHFFFAOYSA-N	400.164	1.463	50	40	HDGB	
O=C(COc1cccc(F)c1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	2726539	VPTIBTOIXLRGBA-UHFFFAOYSA-N	421.450	1.450	50	40	HDGB	
O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NNC(=O)c1ccccc1O	5118994	NWTLLXVSRUYDFQ-NTCAYCPXSA-N	414.487	1.644	50	40	HDGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCO2)c1	9378630	QNIGWGZIOKFEEH-KRWDZBQOSA-N	419.459	1.436	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2OC)c1	16187493	FIVDBFPHQNCPEY-NDENLUEZSA-N	421.475	1.483	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	58884368	BKVHHQHWDXZVOJ-ODCIPOBUSA-N	409.229	1.946	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1cc(I)c(O)c(OCC)c1	409153553	MAQIGBYQHSGJGX-CAOOACKPSA-N	419.219	1.372	50	40	HDGB	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)N(CC(=O)OCC)c1ccccc12	1756566	WDSHPPHWXDBRIP-JOCHJYFZSA-N	423.425	1.561	50	40	HDGB	
COCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12	2315820	LMRHPADNCRZREE-GHRIWEEISA-N	410.474	1.560	50	40	HDGB	
C[C@H](Br)C(=O)NNC(=O)c1ccccc1OC(=O)[C@H](C)Br	3296960	YFDAORIUQTVYRN-YUMQZZPRSA-N	422.073	1.920	50	40	HDGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1	6441041	VVQBQIFHDGJIQJ-OAHLLOKOSA-N	415.471	1.404	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)NNC(=O)c1ccccc1	8039948	FCHZUOJKXYJKIL-AWEZNQCLSA-N	415.833	1.697	50	40	HDGB	
O=C(CNC(=O)c1cccc(Br)c1)NNC(=O)Cc1ccc(F)cc1	14250185	MRYYZGBDKSPTLT-UHFFFAOYSA-N	408.227	1.708	50	40	HDGB	
CCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)ccc21	26976288	RHCUWHIDDPVOEO-SFHVURJKSA-N	408.414	1.326	50	40	HDGB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	408537167	USYIEZQONMLYJQ-IXJMWADBSA-N	409.358	1.518	50	40	HDGB	
CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)Cc3cccs3)C2=O)cc1	1441532	GLACSJLCVMFHTH-OAHLLOKOSA-N	401.444	1.420	50	40	HDGB	
CC(C)[C@H](NC(=O)CI)C(=O)Nc1ccc(C(=O)O)c(O)c1	2034981	LKUBXXHCOVFZOJ-LBPRGKRZSA-N	420.203	1.605	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O	2448900	KEVQTTWZPUCXSK-YBFXNURJSA-N	405.432	1.310	50	40	HDGB	
Cn1nc(C(=O)NNS(=O)(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2c1=O	7380037	AOFGOEKPRSRZBO-UHFFFAOYSA-N	414.487	1.854	50	40	HDGB	
COc1nn([C@@H](C)C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	17087871	KYXANTCCQIIMKZ-QMMMGPOBSA-N	408.396	1.107	50	40	HDGB	
COc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3663717	XKLOWQOIRGUZMI-UHFFFAOYSA-N	404.404	1.318	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc2c(c1)OCO2	8990892	WUNKVNOQVOTVNN-ATVHPVEESA-N	410.430	1.252	50	40	HDGB	
CN1C(=O)c2ccc(C(=O)NNC(=O)c3ccc(Br)cc3)cc2C1=O	12977989	UMHDRWISWRDWGO-UHFFFAOYSA-N	402.204	1.750	50	40	HDGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(Br)cc1	13424686	YLGUQISLANOFPE-IDUWFGFVSA-N	405.216	1.457	50	40	HDGB	
COc1cc(C(=O)N(C)NC2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC	59488050	JZJMXXZTFKEVMD-UHFFFAOYSA-N	405.432	1.438	50	40	HDGB	
CC(=O)c1ccc(N2CCN(CC(=O)NNC(=O)c3ccc(F)cc3)CC2)c(F)c1	12561565	RXSKWRLPPRMAEB-UHFFFAOYSA-N	416.428	1.751	50	40	HDGB	
C[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)cc2C1	14849833	ZRYHVKXIFQIPSD-SNVBAGLBSA-N	421.500	1.827	50	40	HDGB	
CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	58872932	UFYIAJMMFHZNEG-OYKKKHCWSA-N	410.474	1.747	50	40	HDGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H](NS(=O)(=O)c2ccccc2)[C@H]1Br	104073626	KGOZZWUUROJIPB-PTEOKISQSA-N	400.250	1.063	50	40	HDGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CCNc1nnc(O)nc1O	13638509	CZOVVPPXVGHHKS-AWQFTUOYSA-N	416.829	1.383	50	40	HDGB	
COCCNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	16187158	DCWCNQOGYZPJLC-UHFFFAOYSA-N	414.534	1.304	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12	104800582	QRDICMLIQYLTGQ-PTOAJDGSSA-N	403.435	1.585	50	40	HDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@H](C(C)C)N1C(=O)c2ccccc2C1=O	1801238	DEGDWGRUHCWLHV-IBGZPJMESA-N	409.442	1.842	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	58881585	SBLSOZHLLXOSPL-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1cccc([N+](=O)[O-])c1	408676657	BCKLHJGFFSTHST-NCPBCQDQSA-N	424.203	1.892	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)ccc1O	408779532	XULHSOQKGPZBCC-RGVLZGJSSA-N	409.439	1.846	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	408781766	FPZNHRONPHHUMZ-YBFXNURJSA-N	420.447	1.828	50	40	HDGB	
COc1ccc(/C=N/NC(=O)[C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	3085845	MQECCCIWCXZEGT-HWQJWEFDSA-N	406.420	1.421	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccncc4)c32)ccc1OCC(N)=O	4019826	KIGGOZYRESUKHK-KRWDZBQOSA-N	418.413	1.563	50	40	HDGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(O)cc1	4678244	LBSUKWMOVVTIAN-YDZHTSKRSA-N	406.442	1.970	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCc3ccccc32)c1	12935063	OEYYXYVMDLQRDV-SFHVURJKSA-N	401.488	1.818	50	40	HDGB	
O=C1[C@H]2[C@H](C(=O)N1C[C@@H]1CCCO1)[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br	102072209	ASXVCDWGBDBHTH-HQQOVYNUSA-N	407.102	1.943	50	40	HDGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1OC	212156047	ZAWVOBMTHTYIQT-ODLFYWEKSA-N	412.284	1.805	50	40	HDGB	
COc1cc([N+](=O)[O-])cc2cc(C(=O)N/N=C/c3ccc(OCC(N)=O)cc3)oc12	408965705	XHLMDMBCQVPPFQ-ZVBGSRNCSA-N	412.358	1.978	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccn3)nnn2-c2nonc2N)c1	9307518	ZNAXXOZJRNGSGG-SSDVNMTOSA-N	419.405	1.457	50	40	HDGB	
C/C(=N\NC(=O)Cn1nc(C)c(Br)c1C)c1ccc(OCC(N)=O)cc1	13770359	IZTBGISZVIBCRY-KEBDBYFISA-N	422.283	1.667	50	40	HDGB	
O=C(NNS(=O)(=O)c1cccc(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCC3	14244768	JOUJHERCNRJSFT-UHFFFAOYSA-N	418.862	1.619	50	40	HDGB	
COc1c([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc2c(c1OC)OCO2	15109945	JBMWJRPVJKAFLP-ZDUSSCGKSA-N	400.343	1.096	50	40	HDGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCn2c(=O)oc3ccccc32)cc1	7285745	YOPPJSRZVJTWLK-CQSZACIVSA-N	413.430	1.998	50	40	HDGB	
Cc1nc2ncnn2c(C)c1CCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	7328728	JDLNXSBTOOFGIL-UHFFFAOYSA-N	404.434	1.525	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)c(OC)c1	408777132	VVFMKWHKTNJVMR-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1cccnc1	5376081	FQAQRPJETXSRKB-UKTHLTGXSA-N	402.457	1.727	50	40	HDGB	
CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)c1O	6539401	YVZBKSLAYJEQIP-RGVLZGJSSA-N	409.439	1.701	50	40	HDGB	
O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc2c(c1)OCO2	408731491	MZFSTSYPCZMCQK-YAXRCOADSA-N	416.246	1.702	50	40	HDGB	
Cc1c(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)sc2ncnc(N)c12	408973316	LJHJMDIFPYWKMK-LRNAUUFOSA-N	400.376	1.983	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1OC	409134726	PKNPKGWXBOWRTO-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)cc1	2200547	SZBLLAAHKNBHKU-FOKLQQMPSA-N	417.433	1.917	50	40	HDGB	
O=C(COc1ccccc1F)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	2726187	DPRXQGFYBAYVEX-UHFFFAOYSA-N	421.450	1.450	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc(I)c1O	5322438	DEEDYHDUUXKVBU-GIDUJCDVSA-N	400.176	1.801	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)[C@H]2CCCN2C(=O)c2cccs2)nc2ccccc21	9909653	CUTISUANKIVFIP-OAHLLOKOSA-N	411.487	1.630	50	40	HDGB	
CN(CC(=O)N/N=c1/sc2ccccc2n1C)S(=O)(=O)c1ccccc1C#N	104589039	JUWYJBPLTNLLRW-DYTRJAOYSA-N	415.500	1.364	50	40	HDGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCC(=O)O)c1	408905776	DRWIYRXEVNHJFW-MNOULKQQSA-N	413.430	1.958	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)o1	2264366	BHRYRQADVCMWAN-UFWORHAWSA-N	423.349	1.473	50	40	HDGB	
CCN(CC)c1nc(-c2ccc(C(=O)NN)cc2)nc(-c2ccc(C(=O)NN)cc2)n1	2289129	XAUKFRDUHCGDDH-UHFFFAOYSA-N	420.477	1.259	50	40	HDGB	
CCn1nc(C(=O)NNC(=O)CSc2ccc(OC)cc2)c2ccccc2c1=O	7284956	MOTAVMWLOGIQMB-UHFFFAOYSA-N	412.471	1.978	50	40	HDGB	
C[C@H](Sc1nnnn1-c1ccc(O)cc1)C(=O)NNC(=O)c1ccc(F)cc1	8130588	NHXMJSCAYVDCNY-JTQLQIEISA-N	402.411	1.449	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NNC(=O)c2ccccc2)c1	24332338	DQJVVSGSFSJNOR-UHFFFAOYSA-N	416.503	1.612	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NN[C@H](C(N)=O)c2ccccc2)c1	26222299	OSQMFUXQKPVINR-KRWDZBQOSA-N	404.492	1.178	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1	408772936	NLZRHOTULRIRKG-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C	408907243	NJCWTOFGPBOBBY-KEBDBYFISA-N	403.460	1.948	50	40	HDGB	
CC(=O)NNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	4499605	XSQWZNBVITXXNO-LSDHHAIUSA-N	400.520	1.624	50	40	HDGB	
CC1=C(C(=O)OC(C)(C)C)[C@]2(C(=O)N(CC(N)=O)c3ccccc32)C(C#N)=C(N)O1	5032539	MVFAZSHWTSBQIK-OAQYLSRUSA-N	410.430	1.096	50	40	HDGB	
COc1cccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1	9423781	VTAYKEYTTWWQTM-XGHPXPSOSA-N	401.444	1.387	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)ccc1O	3109118	VTBAIFQUXJPRLB-YDZHTSKRSA-N	415.446	1.617	50	40	HDGB	
COCCN1C(=O)C[C@@H](NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C1=O	6085511	RGQLCBIJCQZSNI-OAHLLOKOSA-N	407.467	1.128	50	40	HDGB	
CCCNC(=O)/C(C#N)=C/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	9423366	JVRYXABZJPSBCM-YLDMOEPISA-N	404.517	1.695	50	40	HDGB	
NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	13134348	GFBNBJXQUAAFPV-HNNXBMFYSA-N	424.379	1.511	50	40	HDGB	
CN(CC(=O)N/N=C/c1ccncc1)S(=O)(=O)c1ccc(Br)cc1	16187215	FNOZGUFOZHWMMI-VCHYOVAHSA-N	411.281	1.615	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(I)c1O	409269017	CWIOLUSJGYSZFZ-FRKPEAEDSA-N	417.203	1.124	50	40	HDGB	
CCN(CC)C(=O)CN1C(=O)/C(=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	59461411	LKAYJYJRJZWKFG-QOCHGBHMSA-N	423.429	1.944	50	40	HDGB	
Cc1cc(O)c2n(CC(=O)N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)nc[n+]2n1	3101077	KQVASHGLJBQYNO-AWQFTUOYSA-O	422.381	1.349	50	40	HDGB	
CCN(C(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	6065391	AEZLXFCSAVPTTI-KMPOOHAWSA-N	406.460	1.181	50	40	HDGB	
C/C(=N\NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1ccc(C)cc1	25782017	OTFIEVPNHSGRTL-HYARGMPZSA-N	423.481	1.681	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCC(=O)N1CCOCC1	33577287	YJYKUFJYFFBCPE-QRVIBDJDSA-N	412.446	1.482	50	40	HDGB	
O=C(CNC(=O)c1cccnc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	6193964	ZFQOXEOQRWMKLB-MEFGMAGPSA-N	413.437	1.879	50	40	HDGB	
CCOc1cccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)c1O	109399712	BMJASKRJNHSOLQ-STZFKDTASA-N	419.503	1.745	50	40	HDGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OC	409243454	YRUIQNZMQFNTCL-WTKPLQERSA-N	415.187	1.800	50	40	HDGB	
CCOC(=O)c1cnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc1N	4126747	OCSYXYNIHYPGIP-UHFFFAOYSA-N	409.855	1.442	50	40	HDGB	
CC(=O)c1ccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	8992160	PJAOHUXBQGJHQI-LTKMBJGESA-N	413.455	1.581	50	40	HDGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3C[C@@H]3C)c2)cc1	12631312	RVNASBDMRPQIEH-SJCJKPOMSA-N	403.460	1.913	50	40	HDGB	
CNC(=O)/C(C#N)=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1	108139914	RBGMCKWAWLWYBQ-JYRVWZFOSA-N	408.252	1.340	50	40	HDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1	409151770	DBCOYUXSJLZSLO-BUVRLJJBSA-N	408.458	1.454	50	40	HDGB	
Cc1ccc(S(=O)(=O)NNC(=O)CSc2nnnn2-c2ccccc2)cc1	18194304	GPOUTICIYJHGID-UHFFFAOYSA-N	404.477	1.073	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=S)NCc2ccccc2)cc1C	28621132	IHVGMDNFNKHSBH-UHFFFAOYSA-N	420.560	1.667	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2[nH]ccc2c1	100723439	JPEOFMHHBZAEIV-ZXMBATIKSA-N	410.455	1.860	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O	408780704	IOTHKBFTUALMSV-RGVLZGJSSA-N	419.459	1.618	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/[C@H]3CC=CCC3)nnn2-c2nonc2N)c1	9235000	NVHCRGBEQNNREV-OVMKCGGTSA-N	408.422	1.980	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)C12CC3CC(CC(C3)C1)C2	17157804	RHLIKYGYSLODLG-UHFFFAOYSA-N	423.510	1.858	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc3cn[nH]c23)c1	29555479	LXILZSOUCVECNN-UHFFFAOYSA-N	415.475	1.668	50	40	HDGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1	1958329	CLKPQELKTOZPEC-REZTVBANSA-N	420.407	1.606	50	40	HDGB	
COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	2408859	LHQHQGKTYYRGPV-LKFCYVNXSA-N	401.444	1.843	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C	6498566	BVASPJNJYHGDJZ-VKAVYKQESA-N	405.476	1.652	50	40	HDGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccccc2C(=O)O)cc1OC	59444525	NUVSSKSPSGVUGM-QRVIBDJDSA-N	413.430	1.601	50	40	HDGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	89696681	MSQQVVZLEAUXKK-UHFFFAOYSA-N	417.487	1.620	50	40	HDGB	
COCCN1C(=O)C(=O)/C(=C(\C)NNC(=O)c2ccccc2O)[C@H]1c1ccccc1	100225501	HSIHQEWYENZATH-YWXUCKCNSA-N	409.442	1.700	50	40	HDGB	
CCOC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	100904356	JJEHZKSDDBQEDH-XENKUQMPSA-N	409.398	1.257	50	40	HDGB	
COc1ccccc1NC(=O)COC(=O)[C@H]1[C@@H]2C[C@H]3[C@H](OC(=O)[C@@H]31)[C@@H]2Br	101322286	RTOZDALXZCTOGM-ANVTVCSZSA-N	424.247	1.748	50	40	HDGB	
COCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	9347964	FJHNYAJYXSYLGF-ZCXUNETKSA-N	419.397	1.782	50	40	HDGB	
COc1c(Br)c([C@@H]2ON=C(C(=O)NN)[C@@H]2C)c(OC)c2c1OCO2	14987709	HCZYOIULHMBJRB-SSDLBLMSSA-N	402.201	1.248	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(C)(=O)=O	16693449	AOOHCEVZPUONJS-UHFFFAOYSA-N	416.459	1.324	50	40	HDGB	
COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	2408862	LHQHQGKTYYRGPV-OTYXRUKQSA-N	401.444	1.843	50	40	HDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc(Br)ccc1O	6287255	NEMIEHMDYJTXKY-GIJQJNRQSA-N	401.224	1.959	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1	20210345	ZWKCKLHSYKHNDW-UDWIEESQSA-N	419.459	1.383	50	40	HDGB	
CC(=O)Nc1ccc(/C=N\NC(=O)C(=O)N/N=C\c2ccc(NC(C)=O)cc2)cc1	31637446	AGMGIKYRJXGBLV-IINORCHSSA-N	408.418	1.204	50	40	HDGB	
CCc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)CCc2ccccc2)C1=O	408534622	WFIKFWXIQRYNHI-SAPNQHFASA-N	406.442	1.969	50	40	HDGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)CCN2[C@@H](C)CCC[C@@H]2C)cc1	6350508	VVCPVFKNFLGJNF-GJZGRUSLSA-N	411.524	1.826	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccc3F)CC2)cc1	36006900	KGOLXXLEHOSLFS-HMAPJEAMSA-N	418.494	1.591	50	40	HDGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2O)c(C)c(C#N)c1=O	409061471	XQTSKKPUQVRLFF-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(N)=O	2201806	IVFSLNWOMVQAIV-JQIJEIRASA-N	400.442	1.413	50	40	HDGB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)cc1	4837334	BYNWFIRHBNGZON-RVDMUPIBSA-N	410.386	1.192	50	40	HDGB	
CCOC(=O)[C@@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC)C1	5023116	UNHKQRCUJPVGJH-YLQKULKDSA-N	423.473	1.435	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	6953811	FDONTEMSDIDTQI-WYMPLXKRSA-N	416.865	1.621	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1	8369974	LJCHXWWWNMKNPM-FOKLQQMPSA-N	412.446	1.526	50	40	HDGB	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c1C	12973739	KGJCOJCAQBXZLC-UHFFFAOYSA-N	424.548	1.837	50	40	HDGB	
O=S(=O)(O)SCCCNCCCCCCNCCCSS(=O)(=O)O	31717243	LFRRGNUNELECBZ-UHFFFAOYSA-N	424.632	1.578	50	40	HDGB	
COc1ccc(CCN2C(=O)C[C@@H](NNC(=O)c3ccc(F)cc3)C2=O)cc1OC	101915380	YWWVFAAEYGOGKX-MRXNPFEDSA-N	415.421	1.448	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1O	408779183	BNWLUNSJISRKSN-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC	6582712	BFMAIKOESLGNSC-UDWIEESQSA-N	405.476	1.616	50	40	HDGB	
CN(CC(=O)NNC(=O)c1cc2c(s1)CCC2)S(=O)(=O)/C=C/c1ccccc1	12931712	RQVIZMUSKOVCKS-ZHACJKMWSA-N	419.528	1.930	50	40	HDGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)cc1	19953549	SQCYYDLFFNZYOI-DZUMZMOTSA-N	421.475	1.714	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)cc1OCC(N)=O	1081704	ZYFLHYQLVBQCAA-FSJBWODESA-N	407.430	1.568	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(O)cc1C	8993638	ZWOWIWCIWBURGA-WPBJZHHJSA-N	401.444	1.392	50	40	HDGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1	26535485	WRXUTGCEZDGYDH-UHFFFAOYSA-N	412.471	1.612	50	40	HDGB	
Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2cccnc2)c(C)c1	28271158	RLHFYBPVLMRYQS-KRWDZBQOSA-N	416.503	1.621	50	40	HDGB	
CC(C)(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	58873361	JXVCXROANFORIB-ZVHZXABRSA-N	410.474	1.747	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1	408536201	QHDUPXFMBSLRAC-VPNURPJOSA-N	410.386	1.319	50	40	HDGB	
C=CCc1cc(/C=N\NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)cc(OC)c1O	409201289	KZQVLAUBGKEAFG-MYKKPKGFSA-N	424.457	1.768	50	40	HDGB	
O=C(NNC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1)C1CC1	1345767	MDPGWPPWSAOBLE-UHFFFAOYSA-N	419.425	1.664	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2)c1CNc1ccccc1	2205621	TUEFEYQKYMUIJE-SSDVNMTOSA-N	403.406	1.609	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12	5015236	QTEIFUMIJAGNDY-QIPHDZALSA-N	410.474	1.606	50	40	HDGB	
C#CCOc1ccccc1/C=N/NC(=O)CC(=O)N/N=C/c1ccccc1OCC#C	5368560	BGLNHEJJFCLJMK-MUPYBJATSA-N	416.437	1.701	50	40	HDGB	
CCc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1	6081808	QTJSSIGOIPPWPF-QGZVFWFLSA-N	409.442	1.606	50	40	HDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1	6326187	XFBPBPIWICAWRB-AFUMVMLFSA-N	410.474	1.604	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)o1	9508000	ABBTVHHKZLTXFI-UHFFFAOYSA-N	423.466	1.897	50	40	HDGB	
C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)NNC(=O)c1n[nH]c2c1CCCC2	12548199	ZXTQIOGNHIHYDH-CQSZACIVSA-N	419.485	1.950	50	40	HDGB	
CCOc1ccc(C(=O)NNC(=O)c2cnn(-c3ccc(OC)nn3)c2CC)cc1	24488329	ICRUZZUDCNDZIJ-UHFFFAOYSA-N	410.434	1.707	50	40	HDGB	
CC(C)COc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cn1	40143163	CNZUTLRQHJGULG-UHFFFAOYSA-N	420.491	1.442	50	40	HDGB	
CCc1ccc(-c2nc(C(=O)NNC(=O)N[C@@H]3CCS(=O)(=O)C3)cs2)cc1	9578428	SJUCJGFXDQASOP-CYBMUJFWSA-N	408.505	1.504	50	40	HDGB	
CCc1cccc(N2C[C@@H](C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)CC2=O)c1	12998250	LYADYUUHSDFGEM-AWEZNQCLSA-N	419.441	1.300	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21	5855589	FZNGMLOTZNWSTR-DAFNUICNSA-N	408.458	1.767	50	40	HDGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]1C(=O)OC	9110655	MPBCWKKUIHHAEZ-HZPDHXFCSA-N	404.444	1.729	50	40	HDGB	
N#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	9372906	RCWXUDYZCLXMAR-UHFFFAOYSA-N	410.795	1.508	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1	12582031	BYEYJVKVDLPJDW-UHFFFAOYSA-N	407.448	1.029	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)ccc1O	408927339	ZMDQNAJCNVCKCF-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
N#CC(C(=O)COC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)=C1Nc2ccccc2N1	12631775	SNTBZHKNPIEXSD-ZIAGYGMSSA-N	422.441	1.937	50	40	HDGB	
CSc1ccc(N2C[C@@H](C(=O)NNS(=O)(=O)c3ccccc3)CC2=O)cc1	12942922	SLZPIKKHOCPRSJ-ZDUSSCGKSA-N	405.501	1.771	50	40	HDGB	
O=C(Cn1nnn(-c2ccccc2Cl)c1=O)NNC(=O)c1ccc(Cl)cc1	31790746	DQJFBPVXNJGOEG-UHFFFAOYSA-N	407.217	1.197	50	40	HDGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)c1	58881536	HVHCITIIBCLESP-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)C(C)C)c1	103135667	RPHWZKDSIKNVQQ-XOQYZJNISA-N	403.435	1.327	50	40	HDGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	5918148	GFHJAWZOFATIIR-ZVBGSRNCSA-N	404.810	1.302	50	40	HDGB	
COc1cccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3O)C(O)=NC2=S)c1	9068112	QKYQPUFCHSDZHH-GXDHUFHOSA-N	412.427	1.807	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])CC1	59434058	IZAQKUCUNRLQNI-KGENOOAVSA-N	411.418	1.402	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccc3ncsc3c2)cc1	4088545	CXVOCIFWYTZOEN-UHFFFAOYSA-N	404.473	1.621	50	40	HDGB	
CN(C)N(C(=O)c1cccc(I)c1)[C@H]1CCS(=O)(=O)C1	5108970	RHTWJAZKPXUMKB-LBPRGKRZSA-N	408.261	1.397	50	40	HDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)c1O	35406324	OBZDDNDPPPKZMZ-VXLYETTFSA-N	411.378	1.503	50	40	HDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1	409151184	GYSRLAZLTUCJBV-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
CC(C)C[C@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN	4611608	IYCZMJMNVSEOOM-IRXDYDNUSA-N	422.526	1.617	50	40	HDGB	
O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])NNC(=O)c1ccc([N+](=O)[O-])cc1	11467708	OGVMEPWHEXKCQC-UHFFFAOYSA-N	402.319	1.050	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C2/CCc3ccccc32)c1-c1ccccc1	4462059	JOBAHNBSDRCPAA-JCMHNJIXSA-N	400.402	1.980	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1	8993105	SBPSNWSRLWTKLY-SLVCOGOPSA-N	415.427	1.077	50	40	HDGB	
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1	15342792	TXKLBLIAZNURQT-AWEZNQCLSA-N	412.402	1.808	50	40	HDGB	
CC(=O)Oc1cccc(C=NNC(=O)C(=O)N/N=C/c2cccc(OC(C)=O)c2)c1	585163045	UHWNZSOQDXUKQP-GIUGNVQNSA-N	410.386	1.138	50	40	HDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1NC(C)=O	12906607	UPNANWUIDYHCRS-UHFFFAOYSA-N	421.431	1.048	50	40	HDGB	
O=C(COc1ccc2c(c1)CCC(=O)N2)NNC(=O)c1cncn1-c1ccccc1	40050255	KGFAWNMSHJUPPT-UHFFFAOYSA-N	405.414	1.597	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(OC)c3)C2)c1	40058335	KWUGOYBUCDTIPF-AWEZNQCLSA-N	413.430	1.527	50	40	HDGB	
O=C(COC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)NNC(=O)c1cccs1	13056487	MEJSMBJMQXQAQP-UHFFFAOYSA-N	418.399	1.362	50	40	HDGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	100715396	NKFBSUOMUXGOAE-UHFFFAOYSA-N	415.247	1.580	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)c1	408791070	VRMGSWNOWUPNGE-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1	9913514	YAMAXDPAESWREW-UHFFFAOYSA-N	414.487	1.535	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1	20207946	MUOSLZIZJDPDLZ-FYJGNVAPSA-N	400.460	1.814	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1C	33861635	IIHBDZXNWMIGCM-BKUYFWCQSA-N	418.519	1.840	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccnc4)c32)ccc1OCC(N)=O	4019813	NFLGHYKMFXKCOZ-KRWDZBQOSA-N	418.413	1.563	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3)nnn2-c2nonc2N)c1	9308087	DUABHDXEUMBSSQ-SRZZPIQSSA-N	404.390	1.672	50	40	HDGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1	13021226	CRWOBFRCHGUSLO-KGLIPLIRSA-N	403.410	1.886	50	40	HDGB	
CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1c[nH]c2ccccc12	32779936	SPICFXZHYKFEBL-GOSISDBHSA-N	412.471	1.315	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@H]1CCc2ccccc21	54095003	YWFINJJSBAUIIM-HNNXBMFYSA-N	401.492	1.920	50	40	HDGB	
COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NC2CCCCC2)cc1	59960461	ZQKJPVYAHPQTEC-UCQKPKSFSA-N	418.494	1.117	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N	2454129	GFKVHHFNKSQSAG-ODCIPOBUSA-N	408.344	1.968	50	40	HDGB	
Cn1c(SCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)nc2ccccc21	6652508	VQTFJFDTTOLZSL-UHFFFAOYSA-N	408.443	1.363	50	40	HDGB	
C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(S(=O)(=O)N2CCCC2)cc1	8076266	HQLDUMCTWIGZHC-CAPFRKAQSA-N	403.508	1.825	50	40	HDGB	
O=C(NNS(=O)(=O)c1cccc(Br)c1)c1ccc2c(c1)OCCO2	12944326	ZOXIMTPJYPTZBD-UHFFFAOYSA-N	413.249	1.844	50	40	HDGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cc(OC)cc(OC)c2)cc1	7379425	RWFIKIWEBPWWHV-UHFFFAOYSA-N	408.432	1.504	50	40	HDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1[N+](=O)[O-]	12556094	LQPFLMCJYPZDQX-UHFFFAOYSA-N	404.404	1.718	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)(C#N)[C@]2(C#N)C(=C(C#N)C#N)N2CCOCC2)cc1OC	35325208	PONNIQASMXQXBU-KNQAVFIVSA-N	414.425	1.978	50	40	HDGB	
C[C@@H]1CN(Cc2ccc(C(=O)NNC(=S)NCC(F)(F)F)cc2)C[C@@H](C)O1	62582461	PNJFPDBAVUDLDU-VXGBXAGGSA-N	404.458	1.967	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)Cc2ccc(F)cc2)cc1S(=O)(=O)NC1CC1	12787397	AAXXMARGRKWBQP-UHFFFAOYSA-N	421.450	1.279	50	40	HDGB	
CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O	12849177	IDHJLOOTGMXHBT-UHFFFAOYSA-N	404.423	1.740	50	40	HDGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	6446957	SAGGJUKNVMXEOC-AWQFTUOYSA-N	406.362	1.727	50	40	HDGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccncc3)nnn2-c2nonc2N)c1	9345410	JDJYETFQALAALS-SSDVNMTOSA-N	419.405	1.457	50	40	HDGB	
Cc1nnc(NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc1O	12867569	VHSLGKJVOIDXMA-VIFPVBQESA-N	407.228	1.144	50	40	HDGB	
Cc1ccccc1C(=O)NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C	15692773	DGHZUSGHGBZPNW-UHFFFAOYSA-N	417.487	1.399	50	40	HDGB	
CCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(N)=O)cc3OC)nc2s1	20331896	BTXPVGJEPFIASW-WUXMJOGZSA-N	411.443	1.693	50	40	HDGB	
O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NNC(=O)c1n[nH]c2c1CCCC2	24800438	IAVJAAVNQKFGGH-UHFFFAOYSA-N	411.462	1.793	50	40	HDGB	
O=C(CCOCC(F)(F)F)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	40069964	DMXSBRYIZRQOJJ-UHFFFAOYSA-N	423.413	1.201	50	40	HDGB	
CCc1ccccc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(C)(=O)=O	408772119	BFBXRKJWTNAHDC-UHFFFAOYSA-N	400.460	1.488	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c1	408782576	KLGGMPWIVWSQPC-YBFXNURJSA-N	405.432	1.310	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccccc2)c(OC)c1OC	5720362	SKSWJCRILDOSQO-YBFXNURJSA-N	407.448	1.141	50	40	HDGB	
O=C(CN1CCC(C(=O)N/N=C/c2ccccc2O)CC1)N/N=C/c1ccccc1O	5945771	XLFKNXAFWZGIRI-RNIAWFEPSA-N	423.473	1.410	50	40	HDGB	
CC(=O)Nc1ccc(/C=N\NC(=O)C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1	31637450	AGMGIKYRJXGBLV-ZCJKAFFOSA-N	408.418	1.204	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	5928956	NPHZNVWLYWLYBH-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
COc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc(OC)c1OC	6083084	YOLXWBAVJPQSKA-UHFFFAOYSA-N	412.402	1.034	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)cc1C	16311996	SZERZONBKONCGQ-UHFFFAOYSA-N	400.460	1.542	50	40	HDGB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C	17091023	PKGRNCZZMXXIEM-PDGQHHTCSA-N	417.422	1.801	50	40	HDGB	
CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/CCc1ccccc1	25763956	NKHUCAUXYKJVNQ-CIAFOILYSA-N	411.470	1.423	50	40	HDGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccncc1	36006914	WEDGZRKHJOCAPF-OQKWZONESA-N	415.519	1.237	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(OC)ccc2OC)cc1	58881910	BWPKPXKVBCVIEL-SRZZPIQSSA-N	415.402	1.344	50	40	HDGB	
C[C@H](CCC(=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O)SSc1ccccn1	118216156	ORKSBKSSOSUJOY-ZJUUUORDSA-N	420.490	1.464	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccccc1Cl	408685969	QQKMDRDTGNUCEO-DZRDUMEESA-N	413.655	1.672	50	40	HDGB	
C[C@]12S/C(=N\[C@H]3CCS(=O)(=O)C3)S[C@H]1CS(=O)(=O)[C@H]2Br	3098916	QVZDWBIUSADKMV-JHAJKJALSA-N	420.397	1.286	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(O)c2)cc1OC	6544494	YNGPLCMLAALJJM-YBFXNURJSA-N	407.448	1.180	50	40	HDGB	
Cc1cccc(OCC(=O)NNC(=O)C[C@H](NC(N)=O)c2ccccc2Cl)c1	9252856	KDBDPDRBYPELDZ-INIZCTEOSA-N	404.854	1.974	50	40	HDGB	
COc1ccc(OC)c(N2C(=O)N=C(O)/C(=C\NNC(=O)c3ccncc3)C2=O)c1	17042922	PPDDITPSQXFUAH-JLHYYAGUSA-N	411.374	1.340	50	40	HDGB	
Cc1ccccc1OCC(=O)NNC(=O)[C@@H](C(C)C)N1C(=O)c2ccccc2C1=O	1801237	DEGDWGRUHCWLHV-LJQANCHMSA-N	409.442	1.842	50	40	HDGB	
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1ccccc1)C2=O	8921144	ARJZEJDHXDGJHD-SZNDQCEHSA-N	400.479	1.513	50	40	HDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@H]2c2ccccc2)c1O	15938647	TZUQEIZOYUJMOX-NKBFWYAWSA-N	412.402	1.679	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)cc1	19954999	COSDQZYBNPRJPI-UHFFFAOYSA-N	416.459	1.324	50	40	HDGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1cccc([N+](=O)[O-])c1	408676654	BCKLHJGFFSTHST-DKJTXKKOSA-N	424.203	1.892	50	40	HDGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1	409246968	ABMCJLUSCBKZHO-OEAKJJBVSA-N	418.494	1.069	50	40	HDGB	
COC(=O)C1=c2s/c(=C/c3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1	4748569	VUPUGGAPMJDKMQ-XCMFGDQWSA-N	415.474	1.511	50	40	HDGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	6646701	DLSVJRKCFJNVFE-UHFFFAOYSA-N	403.398	1.972	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)cc1	408531932	HPANIFKCFJFSTQ-XYHOIZSOSA-N	410.386	1.319	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1C	408776803	QUDQWWGMASKPJL-KEBDBYFISA-N	403.460	1.948	50	40	HDGB	
O=C(NNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	4313571	NHWTWCCGLIFCFS-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1ccc(Cl)cc1	6430770	BYKWOLNXAYMMHR-UHFFFAOYSA-N	400.616	1.887	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)c(OC)c1OC	10159063	NRWFULAKDDQYAO-UHFFFAOYSA-N	412.402	1.679	50	40	HDGB	
C[C@H](NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccccc1	408686244	RDNUOSFCSHDUFE-FRINVIJZSA-N	422.275	1.978	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)o1	408770971	BKNPUDLEEZMJKE-JMIUGGIZSA-N	424.866	1.164	50	40	HDGB	
COc1ccccc1-n1nnnc1SCC(=O)NNC(=O)c1ccc(Cl)cc1	929944	VFGPUGQWJYZGCW-UHFFFAOYSA-N	418.866	1.878	50	40	HDGB	
O=C(CNC(=O)c1ccccc1F)N/N=C1\C(=O)Nc2ccc(Br)cc21	1305190	RMPAWHWZPKLSLS-UHFFFAOYSA-N	419.210	1.791	50	40	HDGB	
CCC(=O)Nc1cccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)c1	13510312	DYLCFFXYKYNJAA-UHFFFAOYSA-N	415.435	1.157	50	40	HDGB	
CC(=O)Nc1cccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)c1	9420774	RIHDBCLELJHVRZ-ZHZULCJRSA-N	423.473	1.482	50	40	HDGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1	12791880	ONJSRHUNZXIXMJ-UHFFFAOYSA-N	406.416	1.258	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1	6430295	OFARAKLBOOQEEL-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
COc1ccc(CN2C(=O)N=C(O)/C(=C/NNC(=O)c3ccccc3O)C2=O)cc1	38160719	BDKXGYCFOKDGLF-GDNBJRDFSA-N	410.386	1.638	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccncc3)nnn2-c2nonc2N)c1	2453769	VSRVXPZISNICTH-UFFVCSGVSA-N	405.378	1.067	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(N)=O)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	3282248	PZZOVTYGLUEDTI-AUEPDCJTSA-N	412.446	1.573	50	40	HDGB	
CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@@]21C(=O)Nc2ccc(Br)cc21	79477953	HFYRRSVQJNGLMH-QGZVFWFLSA-N	401.220	1.526	50	40	HDGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3)nnn2-c2nonc2N)cc1	1796457	WPIPRPPZZMLCRI-UFFVCSGVSA-N	404.390	1.677	50	40	HDGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCN1C(=O)COc2ccccc21	8029933	VNUUOICYFBJXGQ-ZDUSSCGKSA-N	401.394	1.556	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc2nc(C)cc(C)n12	9612663	NYAMPAIDMFCIFR-UHFFFAOYSA-N	420.882	1.956	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccncc1	408740908	JBUXDHOZACHPIZ-PCQWDSEFSA-N	401.835	1.515	50	40	HDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	409249948	KEJLAQXGBSRRDR-GCMSVZMUSA-N	410.474	1.747	50	40	HDGB	
NNC(=O)c1cc(I)c(N)c(I)c1	4522460	VBOVQYDULPHOAD-UHFFFAOYSA-N	402.961	1.082	50	40	HDGB	
COc1cc(C(C)=O)ccc1OCC(=O)NNC(=O)CN1CCCc2ccccc21	12557570	DARNGUHVHGYIGW-UHFFFAOYSA-N	411.458	1.877	50	40	HDGB	
COCc1[nH]nc2c1[C@H](c1ccc(OC)c(-n3cc([N+](=O)[O-])cn3)c1)C(C#N)=C(N)O2	16194411	VXLPSHRFHUUNCH-MRXNPFEDSA-N	423.389	1.877	50	40	HDGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1cccc(F)c1)C(C#N)=C(N)O2	19859304	VZQCPZQQDRXIPS-LJQANCHMSA-N	410.449	1.846	50	40	HDGB	
O=C(CN1CCCCCC1=O)NNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	32795642	KKBOXNQOOTWJBU-KRWDZBQOSA-N	412.490	1.078	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1C	35351762	QQPATGRSHPANBN-JMIUGGIZSA-N	419.459	1.503	50	40	HDGB	
COc1cc(C(=O)NNC(=S)NC(=O)c2ccc(F)cc2)cc(OC)c1OC	2249748	NGGHJZADJKVURD-UHFFFAOYSA-N	407.423	1.801	50	40	HDGB	
COc1ccc(CCN2C(=O)C[C@H](NNC(=O)c3ccc(F)cc3)C2=O)cc1OC	2656246	YWWVFAAEYGOGKX-INIZCTEOSA-N	415.421	1.448	50	40	HDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1	9283481	RIPQDNGIZYOXLS-FYJGNVAPSA-N	420.433	1.999	50	40	HDGB	
COc1ccc2[nH]c(SCC(=O)NNC(=O)CSc3nnc(C)s3)nc2c1	13945459	JCPJBZLPJATYRC-UHFFFAOYSA-N	424.533	1.763	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)c1C	100760065	BJKXNBFHSPCDFE-UHFFFAOYSA-N	400.460	1.542	50	40	HDGB	
CCCNC(=O)/C(C#N)=C/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1	9423367	JVRYXABZJPSBCM-FMEULVDUSA-N	404.517	1.695	50	40	HDGB	
C[C@@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)CS2	12975860	HMEAQGFXMXQEPQ-BLLLJJGKSA-N	417.409	1.686	50	40	HDGB	
O=C(O)COc1ccccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2)CC1	22916586	YIOPOTXRLGOGMB-UCQKPKSFSA-N	410.474	1.418	50	40	HDGB	
O=C1[C@H]2[C@H](C(=O)N1C[C@@H]1CCCO1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	102072205	ASXVCDWGBDBHTH-AHODPLSKSA-N	407.102	1.943	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1C	408791052	VHQOGDOTBTYPIM-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1OC	2389505	WHTSLPDRFDGSMO-UFWORHAWSA-N	400.399	1.137	50	40	HDGB	
COCc1cc(C)n(CC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)c(=O)c1C#N	8333226	ASDKZDFOUMENNS-LKUDQCMESA-N	421.457	1.450	50	40	HDGB	
CCn1nc(C(=O)NNC(=O)c2cncc(Br)c2)c2ccccc2c1=O	12942404	QAHGXYMZRUGUNK-UHFFFAOYSA-N	416.235	1.649	50	40	HDGB	
COc1ccc(CCN2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1	13811646	CRRHYZXENZAUKK-IAOFPLEJSA-N	402.925	1.574	50	40	HDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@H]2c2ccccc2)c1O	15938645	TZUQEIZOYUJMOX-WXYJULRNSA-N	412.402	1.679	50	40	HDGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1C[C@@H]1CCCO1	100800998	ASXVCDWGBDBHTH-IINWXISVSA-N	407.102	1.943	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc(Cl)cc1	250261059	ULKSNPBQYNMQOJ-DZDPUUJWSA-N	413.655	1.672	50	40	HDGB	
CC(C)(C)NC(=S)NNC(=O)COc1ccccc1I	408585854	KAXKYXNIANLUIV-UHFFFAOYSA-N	407.277	1.964	50	40	HDGB	
O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)Cc1cn2ccsc2n1	7947566	UYKOBUPASRPBPX-UHFFFAOYSA-N	405.867	1.559	50	40	HDGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)CNC(=O)c1ccc(OC(F)F)cc1	12916805	ZHZBUZSJLUFPKS-UHFFFAOYSA-N	421.400	1.861	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1	20060450	UCEYUJMUOIWEPE-YBFXNURJSA-N	405.432	1.310	50	40	HDGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc1	3310701	VWOHOVWCLXFINA-UHFFFAOYSA-N	423.403	1.403	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@@H]3CC=CCC3)CC2)cc1	12735599	NDJTUDZDQPDDSD-MRXNPFEDSA-N	405.520	1.899	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)cc1	20060358	ZWHLMZBZVLTVCM-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1	20060448	FZYIRKQQELWWKD-YBFXNURJSA-N	405.432	1.310	50	40	HDGB	
CN1C(=O)/C(=N\NC(=O)C(=O)Nc2ccc(Br)cc2)c2ccccc21	3182364	YWHHGEWCJIVFRW-ZHZULCJRSA-N	401.220	1.885	50	40	HDGB	
C/C(=N\NC(=O)Cc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	6509513	PUGVVWOIVDUUSM-XMHGGMMESA-N	407.517	1.852	50	40	HDGB	
COc1ccc(C(=O)COC(=O)[C@H]2[C@@H]3C[C@H]4[C@H](OC(=O)[C@@H]42)[C@@H]3Br)cc1	8475304	XMWQHFCXHPCYMB-YPJCMCBPSA-N	409.232	1.992	50	40	HDGB	
Cc1nnc(NNC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)[nH]c1=O	11266010	CADJIYGHFQOKFY-UHFFFAOYSA-N	400.420	1.031	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)NN=C2CCCCC2)c1-c1cccc([N+](=O)[O-])c1	12428905	KACHFUXJKRTSJG-UHFFFAOYSA-N	411.382	1.858	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc(C)s3)CC2)cc1	35442328	WXHZOELTNZADCV-DEDYPNTBSA-N	420.560	1.822	50	40	HDGB	
O=C(CCn1ncc2ccc([N+](=O)[O-])cc21)NNC(=O)c1cc(Br)c[nH]1	58151415	VRTIFTDDLXOZQR-UHFFFAOYSA-N	421.211	1.886	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(C)(=O)=O)c(C)c1	100211261	JAUWIKLQBOKPPY-UHFFFAOYSA-N	400.460	1.542	50	40	HDGB	
O=C(CCn1cnc([N+](=O)[O-])n1)NNC(=S)Nc1cc(Cl)ccc1Cl	2793132	XARHXEUENZGONQ-UHFFFAOYSA-N	404.239	1.901	50	40	HDGB	
N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccc(B(O)O)cc3)n2)cn1	585293022	BYFCUVJUMNWWRX-FQEVSTJZSA-N	400.251	1.504	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1	4968200	WAZQYCDVKFKYEY-UHFFFAOYSA-N	422.489	1.846	50	40	HDGB	
CCN(CC)Cc1c(C(=O)N/N=C/c2cccc(Cl)c2)nnn1-c1nonc1N	12411657	PNZSXDYJYWCUOU-AWQFTUOYSA-N	417.861	1.492	50	40	HDGB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21	13476448	KELHPHLHQCNFDJ-UHFFFAOYSA-N	413.346	1.971	50	40	HDGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3CCO3)cc2)cc1	95445105	RRUVTEIIGRWANX-KRWDZBQOSA-N	419.459	1.436	50	40	HDGB	
O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408722248	SDZJYCLBRPCBOR-UHFFFAOYSA-N	407.318	1.026	50	40	HDGB	
COc1cc(/C=C/C(=N\NC(N)=S)c2sc(NNC(C)=O)nc2C)ccc1O	1630633	DCMCAOFPWDHPEW-DIULEBGUSA-N	420.520	1.879	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(F)c2)cc1OC	6544483	HSQVNUUSJJEMAX-RGVLZGJSSA-N	409.439	1.614	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccnc1	408743767	YAOJNULFEALXFA-PCQWDSEFSA-N	401.835	1.515	50	40	HDGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1	3449073	RPHRELVQHNGYFD-UHFFFAOYSA-N	417.487	1.620	50	40	HDGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	3668366	VUYCADVBXMHEPE-KBPBESRZSA-N	404.404	1.781	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2F)cc1OC	6356951	HENFQFBLGWSTQC-RGVLZGJSSA-N	409.439	1.614	50	40	HDGB	
CCOc1ccc(OCC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	8271295	TWGBINVRHXHPGP-UHFFFAOYSA-N	404.419	1.951	50	40	HDGB	
CCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2ccccc2-n2cccc2)CC1	12537873	JUUPOSKQCGSSLQ-UHFFFAOYSA-N	404.492	1.300	50	40	HDGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O	58918958	NZVYGZOFOUAPSP-UDWIEESQSA-N	403.460	1.683	50	40	HDGB	
O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)c1cc2c(s1)CCCCC2	103040018	BEERUYIWYDTKEG-KBPBESRZSA-N	403.504	1.953	50	40	HDGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)cc3)c(C)c(C#N)c2=O)cc1	409056242	FZNHWJWMVCLTBX-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
O=C(COc1ccccc1[N+](=O)[O-])NC(=S)NNC(=O)c1ccc(Cl)cc1	6528833	QUOLFLWHHSQDFO-UHFFFAOYSA-N	408.823	1.963	50	40	HDGB	
COc1cccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c1O[C@H](C)C(=O)O	409222412	XAHIQENYQGNUTF-SVKBEJCWSA-N	417.374	1.984	50	40	HDGB	
COCCCNC(=S)NNC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1	8150658	YVEZFNINGRGQDJ-UHFFFAOYSA-N	416.503	1.741	50	40	HDGB	
O=C(NNC(=S)NC[C@@H]1CCCO1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	15899354	BYNVXPHMHYEZDU-AWEZNQCLSA-N	407.496	1.486	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccc(Cl)cc1	105172414	ULKSNPBQYNMQOJ-HKLHZYFVSA-N	413.655	1.672	50	40	HDGB	
COc1ccc(C)cc1N(CC(=O)NN=C1C(=O)Nc2ccccc21)S(C)(=O)=O	408775789	UXGOKDLTRZWBGQ-UHFFFAOYSA-N	416.459	1.242	50	40	HDGB	
O=C(CCl)N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)nc(O)n2Cc1ccccc1	1851625	QAWRQMQWGVSNJG-HNNXBMFYSA-N	416.743	1.062	50	40	HDGB	
CCCC(=O)N[C@@H](CSSC[C@H](NC(=O)CCC)C(=O)OC)C(=O)OC	4287096	DYJBKHLHXXREPZ-RYUDHWBXSA-N	408.542	1.284	50	40	HDGB	
CCc1sc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1C	8294087	MWFHGVPWZFEAHG-UHFFFAOYSA-N	401.897	1.995	50	40	HDGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1ccncc1)c1cccc(Br)c1	9514442	YDWJSBJLXMBIJC-CYBMUJFWSA-N	406.240	1.405	50	40	HDGB	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	12851106	RKFNLVQIAIFDRF-LLVKDONJSA-N	400.822	1.815	50	40	HDGB	
Cc1ccc(C(=O)NCC(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)s1	58294269	KDFKIYBXDKTACR-UHFFFAOYSA-N	408.505	1.370	50	40	HDGB	
COc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)cc1	409250949	NTYDQCSUNXVRMC-WSDLNYQXSA-N	410.430	1.441	50	40	HDGB	
Cc1cc(C)n2nc(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)nc2n1	3446784	QEPMLWDJEQJHCS-UHFFFAOYSA-N	420.882	1.713	50	40	HDGB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccncc1	5376069	FHYIFFIYOMVGOF-XYOKQWHBSA-N	404.498	1.806	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	12881031	MBJPYHOBKBXXQJ-UHFFFAOYSA-N	413.795	1.643	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1OC	23109458	OIOLWHHLLZULEM-UHFFFAOYSA-N	407.426	1.989	50	40	HDGB	
COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c1	39986741	SDYYSISBYPBCEK-NDENLUEZSA-N	421.475	1.483	50	40	HDGB	
CCOc1ccc(C(=O)NNC(=O)c2nc(N3CCOCC3)ncc2Cl)cc1	42127414	KRUOJEHNLIDFMI-UHFFFAOYSA-N	405.842	1.440	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)NCc1ccco1	58873432	IQOZQCWPIJPDPV-FSJBWODESA-N	412.446	1.484	50	40	HDGB	
COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(Cl)Cl)s2)c1O	408730121	FPAYJSGBXGQCJO-UBKPWBPPSA-N	418.262	1.687	50	40	HDGB	
C[C@@H](C(=O)N/N=C1/C(=O)N(C)c2ccccc21)N(c1ccccc1)S(C)(=O)=O	409338082	CRHNNGYNWHLXOG-XXADUYMVSA-N	400.460	1.338	50	40	HDGB	
COc1ccc(C(=O)COC(=O)[C@@H]2[C@@H]3C[C@@H]4[C@@H]2C(=O)O[C@@H]4[C@@H]3Br)cc1	8475303	XMWQHFCXHPCYMB-KTLMPCCSSA-N	409.232	1.992	50	40	HDGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(C(=O)c2ccncc2)CC1	12981542	TYSMXQZZCGTGDR-CQSZACIVSA-N	414.437	1.688	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3ccccc3cc2O)cc1	32719987	BVYNPISJARTGHM-UHFFFAOYSA-N	413.455	1.871	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)CN2CCCCCC2=O)c2nc3n(c2n1)CCCCC3	32753442	CDSFKZOJPBGXKO-UHFFFAOYSA-N	412.494	1.630	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)S(C)(=O)=O	408778305	DBCSXGCVLKQIJB-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
C=CCOc1ccccc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	12982066	QJVDZMSFTZDGPA-UHFFFAOYSA-N	403.460	1.577	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC(N)=O	409261898	FGIBRABGITTXGN-ZBKNUEDVSA-N	406.782	1.885	50	40	HDGB	
NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Br)cc1	5736502	SECMCAALFFJXJJ-UHFFFAOYSA-N	412.309	1.672	50	40	HDGB	
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNC(=O)c1ccccc1O	17526074	GAITXCDSPBLXHR-HNNXBMFYSA-N	417.487	1.714	50	40	HDGB	
C#CCOc1cc(Br)c(/C=N/NC(=O)CN2CCOCC2)cc1OC	19681698	WWXIYYNPYWNNAK-YBFXNURJSA-N	410.268	1.252	50	40	HDGB	
O=C(CCc1nc(CCl)no1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	95470273	CBPKDMDBBXMOIV-UHFFFAOYSA-N	414.871	1.401	50	40	HDGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	96021879	WYWBUZIQPCVNMK-UHFFFAOYSA-N	400.263	1.497	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1	1384020	ODKJNDZJSUHIOT-UHFFFAOYSA-N	423.516	1.097	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccc2c(c1)OCO2	7708730	OBAANJRUGYYVCF-UHFFFAOYSA-N	403.416	1.165	50	40	HDGB	
CC(C)(C)OC(=O)NNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	12912681	SAUZETRNCYIXGA-UHFFFAOYSA-N	408.480	1.403	50	40	HDGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)cc1	409254898	YHKSHEYJIOHLFZ-YDZHTSKRSA-N	408.458	1.995	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)cc1OC	408774796	XZJGAWYONYQFJO-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c1	408781752	DINOWDJGPCTTCE-YBFXNURJSA-N	405.432	1.310	50	40	HDGB	
O=C(C[C@H]1SC(=O)NC1=O)Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1	2201835	RVAWLGYNVOGSQE-IXJMWADBSA-N	413.411	1.803	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	8336677	ANEUUEZKVBRNBS-AWQFTUOYSA-N	418.475	1.896	50	40	HDGB	
CCCNC(=O)CN1CCN(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1	35292664	KAXNYUXALZCJBU-CQSZACIVSA-N	421.567	1.371	50	40	HDGB	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O[C@H](C)C(=O)O	409011758	IKOHUBKAFOVSML-SVKBEJCWSA-N	417.374	1.984	50	40	HDGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)C[C@@H](C)O1	13122524	DTIABXSIIHQJFW-XTAZXNQFSA-N	423.473	1.074	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1	19954575	AZYGIHHUJDAJPL-UDWIEESQSA-N	403.460	1.698	50	40	HDGB	
COC(=O)COc1cccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c1	59436874	ZUGCXSKXCCXQQR-OEAKJJBVSA-N	411.458	1.835	50	40	HDGB	
C=CCN1/C(=N/C=C(\C#N)C(=O)Nc2ccccc2)S[C@H]2CS(=O)(=O)C[C@H]21	5489446	PRIXKDMTXLULIF-JKUPETCFSA-N	402.501	1.789	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N\Nc1ccc(I)cc1	8437859	YAMJHCGWSPKJQQ-UYRXBGFRSA-N	424.198	1.260	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	20060382	QCUKRILWSKNKCD-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
Cc1c(C(=O)N/N=C\c2ccc(C(=O)O)cc2)nn(-c2ccccc2)c(=O)c1C#N	30834263	QLIFZGSUJSWMFC-FMCGGJTJSA-N	401.382	1.875	50	40	HDGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	32977756	RMOOLWGXHXUCJC-QFBILLFUSA-N	413.499	1.892	50	40	HDGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCC(=O)O)c(I)c1	59334201	BJIRHMZHKVNLCF-YHYXMXQVSA-N	400.172	1.750	50	40	HDGB	
COc1ccc(OC)c([C@H]2[C@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	4452877	XAPBDUQELSILHC-ICSRJNTNSA-N	403.442	1.976	50	40	HDGB	
O=C(CNC(=O)c1cccs1)NNC(=O)COc1cccc(Br)c1	6545417	JZWIREVLWNXPMW-UHFFFAOYSA-N	412.265	1.467	50	40	HDGB	
O=C(CCC(=O)NNC(=O)CCc1ccccc1)NNC(=O)CCc1ccccc1	8397070	OHGJMDQLGWDZHG-UHFFFAOYSA-N	410.474	1.327	50	40	HDGB	
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)NNC(=O)c1cccs1	9157862	FWNOXWDOZXKITB-UHFFFAOYSA-N	418.431	1.875	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1	9233198	VZSLKDAWPHNIGR-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@@]2(C)[C@@H]3CC[C@]2(C)C(=O)[C@@H]3Br)CC1	100891998	FYPXPXUQTCUDRK-XOUADPBQSA-N	407.374	1.723	50	40	HDGB	
CCc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)cc1	409272010	XORANDOWBOMSOY-YDZHTSKRSA-N	408.458	1.995	50	40	HDGB	
COc1cc(/C=C/C(=N/NC(N)=S)c2sc(NNC(C)=O)nc2C)ccc1O	17215488	DCMCAOFPWDHPEW-PWXLJDLCSA-N	420.520	1.879	50	40	HDGB	
Cc1ccccc1OCC(=O)N[C@H](C)C(=O)N/N=C/c1ccc2c(c1)n(C)c(=O)n2C	2163135	NWJQVBRAJIGJKA-AQXNZCSYSA-N	423.473	1.219	50	40	HDGB	
COc1ccc(N2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	5376860	FJLWIBJGDZUZGT-KQDATDAWSA-N	404.897	1.544	50	40	HDGB	
N#CC(C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12)=C1Nc2ccccc2N1	6507004	DITYSHVRQAIDGV-UHFFFAOYSA-N	401.382	1.851	50	40	HDGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1	13748449	JUBQZUKREGGORM-UFFVCSGVSA-N	411.426	1.468	50	40	HDGB	
COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1OC	16309257	CMUNGRWYHMYRQU-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1	409027133	AMVNJLHPIUSBBB-UHFFFAOYSA-N	407.323	1.957	50	40	HDGB	
O=C(CNC(=O)c1ccncc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	15885132	KXOIEEODOOGBGU-UHFFFAOYSA-N	402.208	1.047	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)ccc1O	408785228	VAIXYCAGTSPQBI-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc(Br)c1O	409247522	CUJPLEFJVBYZFL-NPLBWUPPSA-N	414.256	1.299	50	40	HDGB	
CCn1c(NNC(=O)c2ccccc2CN2C(=O)CNC2=O)nc2ccccc2c1=O	11166391	SVGFXUNBDDYUKO-UHFFFAOYSA-N	420.429	1.225	50	40	HDGB	
O=C(CCCC(=O)N/N=C\c1ccc(O)c(O)c1)N/N=C\c1ccc(O)c(O)c1	104081308	QVKHLZCGWPLBJP-JTMCVSSMSA-N	400.391	1.280	50	40	HDGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	408834793	LYHGQLSCNDACQZ-OHHQFBAHSA-N	410.474	1.918	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)CC1	5586928	OQXNOEJWHILKGJ-KGENOOAVSA-N	411.418	1.402	50	40	HDGB	
COc1cc(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)ccc1OC(F)F	9508273	BCGKUBLFWUIKOW-UHFFFAOYSA-N	418.356	1.618	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(O)c2)cc1Cl	35387354	ZWQVSLUDTPHOKF-GRSHGNNSSA-N	411.867	1.825	50	40	HDGB	
CCOC(=O)/C(C#N)=C/c1c(N2CCC(C(N)=O)CC2)nc2c(C)cccn2c1=O	5555698	UZXBLEQKVJWSMU-RVDMUPIBSA-N	409.446	1.175	50	40	HDGB	
O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-]	9235002	PBTBUMVHRXPUBB-MVBJMIKPSA-N	402.323	1.172	50	40	HDGB	
COc1cc(C(=O)N/N=C2/C(=O)N(C)c3ccccc32)c([N+](=O)[O-])c(OC)c1OC	9948703	UHORNWUQAVZSCG-XSFVSMFZSA-N	414.374	1.731	50	40	HDGB	
O=C(CCN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1cc2ccccc2cc1O	24013510	KAWXAJYWOAAQTR-UHFFFAOYSA-N	410.430	1.561	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O	409143831	IOUWCWZTSOJNOD-DNTJNYDQSA-N	402.363	1.990	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1O	19954188	KJWOZXXCGQLFKW-VXLYETTFSA-N	411.867	1.971	50	40	HDGB	
COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)c1	33720139	MFAHYIQXOPSLLZ-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1	409251428	PQUQSHLERXOPBJ-GCMSVZMUSA-N	410.474	1.747	50	40	HDGB	
C=CCOC(=O)C1=C(C)N(CC(=O)OCC)C(=O)[C@@]12C(C#N)=C(N)Oc1ccccc12	6546466	YVUSDIKRYHSYQZ-QFIPXVFZSA-N	423.425	1.419	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)c1cc2c(s1)CCC2	48344597	GAEFCPQIFQLINE-OAHLLOKOSA-N	419.528	1.851	50	40	HDGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)NC(N)=O)cc1OC	409244743	ICBFFUVLHMIMGN-RUDMXATFSA-N	415.187	1.800	50	40	HDGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	38175413	KBJGMVNPIWIXRD-DNTJNYDQSA-N	422.361	1.433	50	40	HDGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)c([N+](=O)[O-])c1	408719221	APFZCRFMKKFWTE-UFWORHAWSA-N	414.334	1.761	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	6866242	RLLLWGUANRHABO-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
CCOC(=O)C1CCN(C(=O)CCC(=O)NNC(=O)c2ccc(OC)cc2)CC1	4696091	JPCHCTJJUYGWPL-UHFFFAOYSA-N	405.451	1.038	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccccc2)nnn1-c1nonc1N)C1CCCCC1	2450444	YKRUVMFQJZNKMI-WSDLNYQXSA-N	423.481	1.761	50	40	HDGB	
CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OCC)=C1C	4517065	FDDPLEAMFALPHN-OAQYLSRUSA-N	411.414	1.253	50	40	HDGB	
COc1c(/C=N/NC(=O)c2ccccc2O)c(CCN(C)C(C)=O)cc2c1OCO2	5576603	KLJKYXJKBRDKIO-SSDVNMTOSA-N	413.430	1.914	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1c(N2CCC[C@H](C)C2)nc2c(C)cccn2c1=O	5529228	ZDFMACUKXNUXMC-YSKWHIJTSA-N	409.490	1.909	50	40	HDGB	
O=C(C[C@H]1Oc2ccccc2NC1=O)NNC(=O)c1ccccc1Br	7913504	XLBBSTZMWQECAD-CQSZACIVSA-N	404.220	2.000	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)NNC(=O)c1ccccc1	8036450	DRGXIBNRTGGYAV-CQSZACIVSA-N	415.833	1.697	50	40	HDGB	
CCOc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	8415382	ZYZIZCBVERKBIC-UHFFFAOYSA-N	413.430	1.808	50	40	HDGB	
COc1cc(C(=O)NNC(=O)c2nn(-c3ccccc3)cc2O)cc(OC)c1OC	9516554	HYPOGHZALGGSHZ-UHFFFAOYSA-N	412.402	1.679	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(I)cc1)c1ccc(O)cc1	226855099	WYADHSWUJDZYGD-UHFFFAOYSA-N	418.212	1.620	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)NNC(=O)c1ccccc1Cl	8036363	HQFLZXJXFJDPNO-ZDUSSCGKSA-N	421.881	1.825	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2OC)c2ccccc21	1817495	KWWWLXWLRALIOH-GFLNRVGBSA-N	418.453	1.878	50	40	HDGB	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	12851112	RKFNLVQIAIFDRF-NSHDSACASA-N	400.822	1.815	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccc3)CC2)cc1	30742666	BNGQBOWZOUCRMD-QNGOZBTKSA-N	400.504	1.452	50	40	HDGB	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc2c(=O)n3c(nc2c1)CCC3	102943456	IWAYTHVCXSJDFM-WXNNJLFXSA-N	422.485	1.435	50	40	HDGB	
CC(C)[C@@H](NC(=O)CI)C(=O)Nc1ccc(C(=O)O)c(O)c1	1749718	LKUBXXHCOVFZOJ-GFCCVEGCSA-N	420.203	1.605	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)COc2ccccc2Cl)c1	3553280	HKGYQMNNUPONFY-UHFFFAOYSA-N	411.867	1.430	50	40	HDGB	
CCCC(=O)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc(C)cc1	9850080	HLZXBLMHWVZIJH-UHFFFAOYSA-N	421.500	1.966	50	40	HDGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	28214347	KZGXLYWAJGXUOB-YDZHTSKRSA-N	414.437	1.626	50	40	HDGB	
Cc1cccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)c1C	409334436	XUKAYGPAFCWZQN-ZBJSNUHESA-N	414.487	1.566	50	40	HDGB	
N#Cc1ccc(Nc2cccc(C3CCN(Cc4ccc(B(O)O)o4)CC3)n2)cn1	585294848	VLRXRCDDLXZSDG-UHFFFAOYSA-N	403.251	1.744	50	40	HDGB	
Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1	13041641	LTUPZKYQUJOLHC-UHFFFAOYSA-N	415.393	1.910	50	40	HDGB	
CC(C)c1c(C(=O)N/N=C/c2cccc(Br)c2)nnn1-c1nonc1N	13752058	ILQXPHNDHJJZRJ-CNHKJKLMSA-N	419.243	1.882	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	58882148	UFSSVRNCGPJESS-VXLYETTFSA-N	400.347	1.235	50	40	HDGB	
C[C@@H]1CN(c2nccn3cnnc23)C[C@@H]1C(=O)NNC(=O)Cc1ccc(Cl)cc1	79111547	SZEVLLIXKMWYAK-DOMZBBRYSA-N	413.869	1.240	50	40	HDGB	
COC(=O)CC1=C(C(=O)OC)[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O1	2212092	NIPZAGZTNJYGCE-QGZVFWFLSA-N	418.402	1.510	50	40	HDGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NNC(=O)c1cccc([N+](=O)[O-])c1	3322295	XOGASYWDBIFSLF-SNVBAGLBSA-N	403.351	1.773	50	40	HDGB	
CCc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)cc1	12989101	RDCPDCPZPOHQAD-QFIPXVFZSA-N	408.458	1.867	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(F)c(F)c1F)c1csc(N2CCOCC2)n1	16098550	MQRTWNGBCOOEEY-UHFFFAOYSA-N	422.410	1.020	50	40	HDGB	
Cc1cc(SCC(=O)NNC(=O)C[C@@H]2CCS(=O)(=O)C2)nc2ccccc12	16774905	JFMOOBQFIYEKFA-ZDUSSCGKSA-N	407.517	1.608	50	40	HDGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CN3CCOCC3)cc2)cc1	408774798	YATZOKYXFAUYAS-OEAKJJBVSA-N	410.474	1.795	50	40	HDGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCC(=O)N1CCOCC1	409367642	GUWJXWYZWSPDFA-QGOAFFKASA-N	413.474	1.852	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1)c1cc(-c2ccccc2)n[nH]1	12535274	JOGMXMYXCLIUGG-OAHLLOKOSA-N	407.430	1.983	50	40	HDGB	
Cc1occc1C(=O)NNC(=O)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C	40071935	VZEXJKQFFFWYES-OAQYLSRUSA-N	410.430	1.738	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C1/C(=O)N(C)c2ccccc21)S(C)(=O)=O	409328732	AGJGCHZHVMJNPW-ZBJSNUHESA-N	414.487	1.512	50	40	HDGB	
N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)C(=O)NCc1ccco1	2204748	LOLNKDGXRDRWPV-NTCAYCPXSA-N	405.414	1.347	50	40	HDGB	
C[C@H](Sc1nnnn1-c1cccc(F)c1)C(=O)NNC(=O)c1ccc(F)cc1	8130613	GHDCDRUGDKCVJB-JTQLQIEISA-N	404.402	1.882	50	40	HDGB	
O=C(NNC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)c1ccccc1	12972910	VCMUSEGFNJSKTF-UHFFFAOYSA-N	408.505	1.545	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)NCc2ccc(N3CCOCC3)nc2)cc1OC	27338146	WJEJCTKAPIEJCJ-UHFFFAOYSA-N	415.450	1.080	50	40	HDGB	
O=C(Cn1cncn1)N/N=C/c1cc(Br)c(O)c(Br)c1	2320115	DRQGVQLOXUFWHA-CRKCGEKBSA-N	403.034	1.659	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cc2csc(N3CCOCC3)n2)cc(OC)c1O	3360523	HJULBRYZYXNOCW-VXLYETTFSA-N	406.464	1.395	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccc(O)cc3)CC2)cc1	35103694	RWNIRPHLIHAHBE-KGENOOAVSA-N	416.503	1.157	50	40	HDGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)cc1OC	409313196	IBEWJTVBVDIGBR-JJFYIABZSA-N	401.419	1.731	50	40	HDGB	
OB(O)c1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(B(O)O)cc21	514282367	DFILURRLHYVTKW-UHFFFAOYSA-N	404.039	1.390	50	40	HDGB	
N#Cc1ccc(Nc2nc([C@H]3CCCCN3Cc3cccc(B(O)O)c3)cs2)cn1	585294944	WGJBRQRSGSXSSW-HXUWFJFHSA-N	419.319	2.560	50	40	HDGB	
Cc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(CCCC#N)c2ccccc21	6205718	RHSNNIQZPKHKPL-QOMWVZHYSA-N	403.442	1.896	50	40	HDGB	
CCc1ccc(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1	13010861	YHKHCSLAVDDWCJ-UHFFFAOYSA-N	410.521	1.474	50	40	HDGB	
CCOc1c(Br)cc(C(=O)NNC(=O)C2=COCCO2)cc1OC	14188736	JIVKYTZBDUYUIB-UHFFFAOYSA-N	401.213	1.506	50	40	HDGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(F)cc1	408684542	NSVFJUNDNZXACV-DKJTXKKOSA-N	412.211	1.878	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c1O	6456212	FWJQTQUNPIGRIN-KEBDBYFISA-N	405.476	1.755	50	40	HDGB	
Cc1cc(C)nc(SCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)n1	7786767	WTJWHFOYSPGABH-UHFFFAOYSA-N	408.867	1.843	50	40	HDGB	
Cc1nnc(NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)nc1O	36799554	YQQPUMUFRCBEPX-UHFFFAOYSA-N	420.476	1.183	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1	104444289	CCAHNQMXICYCFV-DXRKZYGRSA-N	404.386	1.800	50	40	HDGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)c1	6376288	WTNRKFVZCGDNSY-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	6879456	NEAGHJMSGCJMIR-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2cc3ccccc3oc2=O)cc1	3669181	ZHNIBXFEADHIJU-UHFFFAOYSA-N	411.439	1.816	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc([N+](=O)[O-])cc1	408529669	CVIZAODZMOXIHL-MJXPJBRSSA-N	413.390	1.194	50	40	HDGB	
NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CCl)s2)cc1	3666890	TWZPMTNKKKPCAM-UHFFFAOYSA-N	421.913	1.094	50	40	HDGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC)=C1CC(=O)OC	4517045	CKNLSQBERPCQMB-OAQYLSRUSA-N	409.398	1.029	50	40	HDGB	
Cc1cccc(N2N=C(C(=O)NNC(=O)Cc3nc4ccccc4n3C)CCC2=O)c1	6648074	GDJIFIGOVDODEM-UHFFFAOYSA-N	418.457	1.755	50	40	HDGB	
C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1ccccc1)C2=O	8921156	ARJZEJDHXDGJHD-SPLOXXLWSA-N	400.479	1.513	50	40	HDGB	
COc1ccc(Cl)cc1N(CC(=O)NN=C1CCN(C)CC1)S(C)(=O)=O	20212115	UPWLRCYQPFBCHT-UHFFFAOYSA-N	402.904	1.312	50	40	HDGB	
COc1ccc(C(=O)N/N=C\[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1	408763378	NKSRZAGVVVGEQG-SJJOQSKNSA-N	410.455	1.783	50	40	HDGB	
COc1cc(C(=O)NCC(=O)N/N=C\c2ccc(C)cc2O)cc(OC)c1OC	5277200	KVBPDVVCCYFTQR-YVNNLAQVSA-N	401.419	1.607	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccccc1	61109557	CNOJFNPBVLVICK-YDZHTSKRSA-N	424.457	1.832	50	40	HDGB	
O=C1[C@H]2[C@H](C(=O)N1c1ncccn1)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	101169996	PADHABJMXCQDJV-BHQVJMJVSA-N	401.058	1.759	50	40	HDGB	
CCOc1ccc(CN(C)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1	9516575	WGOXUOFRBSRVKI-UHFFFAOYSA-N	419.507	1.865	50	40	HDGB	
Cc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1	22235650	QVWPLWZBDWLFPC-UHFFFAOYSA-N	403.508	1.784	50	40	HDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1ccc(SCCO)c([N+](=O)[O-])c1	32125026	HPLOMQTYZWTCQH-IDUWFGFVSA-N	408.396	1.243	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Br)c1O	59483790	YLLPSMIZDDDXKG-SRZZPIQSSA-N	420.263	1.972	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1	408536044	PPWABZCZUUUKFZ-YKKGFXKDSA-N	402.838	1.939	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)COC(=O)c2c(NC(C)=O)sc(C)c2C)cc1	9159556	QJLCEXQBANGOSI-UHFFFAOYSA-N	419.459	1.950	50	40	HDGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	408863349	RKWMQVIUAOFSTI-OEAKJJBVSA-N	411.458	1.762	50	40	HDGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	6607765	PFQGPWCVVNNRRN-UHFFFAOYSA-N	407.184	1.335	50	40	HDGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1	27018466	NAWWTYBDIYHQJP-AAGJOFLKSA-N	414.439	1.943	50	40	HDGB	
Cc1noc(NS(=O)(=O)c2ccc(NC(=S)N/C=C(/C#N)C(N)=O)cc2)c1C	104303916	BLSPGRPQDXCUPU-FLIBITNWSA-N	420.476	1.271	50	40	HDGB	
O=C(CN1C[C@@H](c2ccccc2)CC1=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	408973411	MPCQPZBOWHPIKE-PZEXIZOFSA-N	410.386	1.790	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1	2454467	PTGVUNFKACOUSV-KEBDBYFISA-N	423.462	1.791	50	40	HDGB	
COc1ccccc1OCC(=O)NNC(=O)Cc1ccc(OC)c(OC)c1OC	13004895	NVUSSQIRDIJWPU-UHFFFAOYSA-N	404.419	1.490	50	40	HDGB	
O=C(NC[C@H]1CCCO1)NNC(=O)[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1	84341546	JTRJSKIXWJWRED-QMTHXVAHSA-N	401.250	1.996	50	40	HDGB	
COc1ccc(C(=O)NN[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	102922064	ZORRFKATFOTLII-AWEZNQCLSA-N	414.374	1.179	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1	408536038	PPWABZCZUUUKFZ-CRENNJPRSA-N	402.838	1.939	50	40	HDGB	
CCCn1nc(C)c2c(C(=O)NNC(=S)NC)cc(-c3cnn(C)c3C)nc21	8782505	RQEGCRMGKKLECU-UHFFFAOYSA-N	400.512	1.597	50	40	HDGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@]12C(=O)Nc1c(C)cccc12	12955481	WROCFZXZPAOEOL-JOCHJYFZSA-N	423.425	1.846	50	40	HDGB	
COc1ccc(C2=NO[C@@H]3[C@@H]4CO[C@H](O4)/C(=N\NC(=O)Cc4ccccc4)[C@H]23)cc1	100246076	VURJCWQVFAALEG-LDWMLUGISA-N	407.426	1.884	50	40	HDGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccc([N+](=O)[O-])cc21	4458597	VNHYQPFJDZMYBV-UHFFFAOYSA-N	401.766	1.451	50	40	HDGB	
Cc1ccc(SCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	7977883	LGHPVDBYOUTHNV-UHFFFAOYSA-N	403.416	2.000	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	16971227	UKPSLCVKAPJLOM-UHFFFAOYSA-N	419.547	1.979	50	40	HDGB	
CNS(=O)(=O)c1ccc(C)c(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1	40024626	XFMUDWJSFXKQHP-OAHLLOKOSA-N	419.503	1.748	50	40	HDGB	
Cc1ccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)cc1	6009335	BCFQLQBZZRSOIF-DAFNUICNSA-N	408.458	1.766	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)c1	12935057	OEYYXYVMDLQRDV-GOSISDBHSA-N	401.488	1.818	50	40	HDGB	
COc1cccc(C(=O)NNC(=O)c2ccc(=O)n(Cc3ccccc3)c2)c1OC	16839227	XEFYQXAJBGZIOO-UHFFFAOYSA-N	407.426	1.989	50	40	HDGB	
CC1(C)OC(=O)C([C@@H](c2ccc3c(c2)OCO3)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	20219011	ROORPDRIUHFJDK-DOMZBBRYSA-N	408.370	1.351	50	40	HDGB	
O=C(Cn1cc(Br)ccc1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	47526687	RYNVLBPDSWDPCO-UHFFFAOYSA-N	408.296	1.975	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccccc1	58873812	WVTZTWKCGSGKBE-BBMHEYIBSA-N	424.457	1.449	50	40	HDGB	
C[C@@H](CCC(=O)ON1C(=O)C[C@@H](S(=O)(=O)O)C1=O)SSc1ccccn1	118216158	ORKSBKSSOSUJOY-VHSXEESVSA-N	420.490	1.464	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)Cc3ccccc3)CC2)cc1	4217975	GOWYNEATSSFWGL-UHFFFAOYSA-N	415.515	1.786	50	40	HDGB	
COc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)c(OC)c1	101312798	FJLWIBJGDZUZGT-OIHRWXRTSA-N	404.897	1.544	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	103101051	AZFVYNODDQXLFA-VKAVYKQESA-N	405.476	1.733	50	40	HDGB	
C/C(=N\NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	409134101	OUSVYNAIVMCGKX-FYJGNVAPSA-N	421.450	1.903	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc(Br)c1O	13921319	YWDFXXBKVPIXBU-KEBDBYFISA-N	406.236	1.930	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCCCOC(C)C)cc(Br)c1O	409259874	GWVQSNANSZNWMW-DJKKODMXSA-N	416.272	1.545	50	40	HDGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC	6378241	MZYJTYICNOSZBB-DJKKODMXSA-N	400.815	1.504	50	40	HDGB	
COC(=O)[C@H]1C(=O)[C@@H](NC(=O)CCCCl)[C@H](c2ccccc2)[C@@H](C(=O)OC)C1=O	104097114	NIKHOFOLHLNIPQ-FPCVCCKLSA-N	423.849	1.004	50	40	HDGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1	409151522	HLRFYZSLSYBXQA-OEAKJJBVSA-N	424.457	1.321	50	40	HDGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc3c(c2)OCO3)o1	9479349	ZRRDTZSXAOVGIR-IFRROFPPSA-N	422.361	1.294	50	40	HDGB	
CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	5037357	KRXORTVNRREITK-KRWDZBQOSA-N	409.442	1.606	50	40	HDGB	
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c1	6024805	BYMIAOHIIKDLGB-UHFFFAOYSA-N	412.427	1.593	50	40	HDGB	
Cc1occc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1C(F)(F)F	12784133	XAWZAINLZOUIOW-UHFFFAOYSA-N	419.381	1.736	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)NCc1ccccc1	28214341	MOEOPHNONTXZEI-BUVRLJJBSA-N	410.474	1.164	50	40	HDGB	
CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C(\C)c1cccs1	33388941	KYQVUKZAVBNGHW-VCHYOVAHSA-N	403.472	1.290	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(C)o3)CC2)cc1	36094423	ZAQAAKGACAJNIP-MOSHPQCFSA-N	404.492	1.353	50	40	HDGB	
COc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)c1	409256445	LGCSGSBNTKGOAY-WSDLNYQXSA-N	410.430	1.441	50	40	HDGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1ccc(F)cc1	409260320	OPGXYLYPQDQUPX-YDZHTSKRSA-N	412.421	1.916	50	40	HDGB	
CN(C)Cc1c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnn1-c1nonc1N	2389850	BRFQUEIKMBOZHS-QPSGOUHRSA-N	423.359	1.077	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(I)cc1	101115789	YAMJHCGWSPKJQQ-CPNJWEJPSA-N	424.198	1.260	50	40	HDGB	
O=C1CSc2ccc(C(=O)NNC(=S)NCc3ccc4c(c3)OCO4)cc2N1	26851949	SFAQIKVVSZXQBZ-UHFFFAOYSA-N	416.484	1.769	50	40	HDGB	
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1C	2617120	YCAROWHCDCFBPM-UHFFFAOYSA-N	402.363	1.360	50	40	HDGB	
O=C(CNC(=O)c1ccco1)NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	7015109	TWASZAKVSZKOGF-UHFFFAOYSA-N	403.782	1.015	50	40	HDGB	
O=C(NCc1ccncc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	59433928	AYBIHQAVHAIJPN-DNTJNYDQSA-N	405.208	1.339	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)N1CCOCC1	409010541	FNNBQWPRQRDMLR-YDZHTSKRSA-N	415.421	1.836	50	40	HDGB	
O=C(COc1ccc(C(=O)N/N=C/c2ccccn2)cc1)N/N=C/c1ccccn1	3218575	OJNHHROESYHTIW-GUJRAXHGSA-N	402.414	1.770	50	40	HDGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O	4838988	WCVAJFWTQMAHPN-FYJGNVAPSA-N	400.460	1.814	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C	6866422	BLMKWFLCLHGEDE-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
COc1ccc([C@@H]2CCCN2CC(=O)NNC(=O)Cc2nc(C)cs2)c(OC)c1	21672056	PFTBBYLSDKHHNR-INIZCTEOSA-N	418.519	1.996	50	40	HDGB	
CCCCCCOc1ccc(C(=O)NNC(=O)CN2CCN(CC)C(=O)C2=O)cc1	32926803	PNTQMXPOFXLQAG-UHFFFAOYSA-N	418.494	1.097	50	40	HDGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	32977760	RMOOLWGXHXUCJC-LPHOPBHVSA-N	413.499	1.892	50	40	HDGB	
O=C(Cc1ccccc1)NN[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	100572025	BSSQEQFNHZSSBM-HNNXBMFYSA-N	402.248	1.945	50	40	HDGB	
NC(=O)CCn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21	409360888	GAXHTFCYQSXGIV-ZMOGYAJESA-N	406.442	1.981	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1	8157550	UKMSGENPKZLNQL-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c(OC)c1	408773982	KRXLWJZXRRMTDX-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1	409258489	UHKLDKVKFVDAKZ-MFKUBSTISA-N	422.485	1.763	50	40	HDGB	
Cc1cc2cc3c(cc2n2c(SCC(=O)NNC(=O)C(C)C)nnc12)OCCO3	4215590	ZGSKLYFRCMIXKJ-UHFFFAOYSA-N	415.475	1.858	50	40	HDGB	
O=C(COC(=O)CCC(=O)NC1CCCCC1)NNC(=O)c1ccc(Cl)cc1	7939793	UDVUKRUNWUHKNQ-UHFFFAOYSA-N	409.870	1.873	50	40	HDGB	
CCc1ccc(N2C[C@H](C(=O)NNC(=O)COc3ccc(C#N)cc3)CC2=O)cc1	8350122	YOUWAVRRQIBFNP-QGZVFWFLSA-N	406.442	1.700	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC	20207320	LESROPAHYRWSPB-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])c(O)cc2O)c1C#N	59503525	PJZYUEYVWSPPFR-IFRROFPPSA-N	415.362	1.257	50	40	HDGB	
COc1cc(/C=N\NC(=O)CN2CCOCC2)c(Br)cc1OCC#N	409002401	UKLKDGPMOMTGMB-GRSHGNNSSA-N	411.256	1.142	50	40	HDGB	
CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1	3770061	NERKIEWTCIQVNU-JSGCOSHPSA-N	416.434	1.081	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cc(C)ccc1O	102730774	FLFSUTQGPYDZOB-NCPSJORJSA-N	401.444	1.392	50	40	HDGB	
COc1ccc(N(CC(=O)NN)S(=O)(=O)c2cc(C)ccc2OC)cc1Cl	408589939	IHXABVVDPIBVOS-UHFFFAOYSA-N	413.883	1.851	50	40	HDGB	
NC(=O)C(=O)N/N=C(\C[C@]1(O)C(=O)Nc2ccccc21)c1ccc2ccccc2c1	6576592	KNAAVNFUUCPYLP-RYEBZEHMSA-N	402.410	1.375	50	40	HDGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1	6595743	MPXARRVOSXTNAB-JKSUJKDBSA-N	405.451	1.842	50	40	HDGB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)COc1ccccc1C	6886478	QYJZAMVVHZFWNR-IBGZPJMESA-N	408.458	1.750	50	40	HDGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	58873987	JAPICPZRCIKMPT-BUVRLJJBSA-N	410.474	1.700	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)Nc1ccc(F)cc1	58874023	GDRAQJSTSZTZDD-YDZHTSKRSA-N	412.421	1.916	50	40	HDGB	
COc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC	1684462	ROEMVDFZWVQMFZ-XHQRYOPUSA-N	414.418	1.321	50	40	HDGB	
COc1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2)c([N+](=O)[O-])cc1OC	3411855	VMUMTRWAMHHDSR-UHFFFAOYSA-N	403.347	1.230	50	40	HDGB	
CN(C)c1ccc(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)cc1	4675584	JQJUKOVTRCVHGS-UHFFFAOYSA-N	423.517	1.643	50	40	HDGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1	20207348	QOVSJRWMCSGXAF-KGENOOAVSA-N	402.476	1.951	50	40	HDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(I)cc1	40159688	VUSYXEOEVCRYSV-CQSZACIVSA-N	424.194	1.892	50	40	HDGB	
COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1O	6583759	UNUFPJXDSCAMTL-KGENOOAVSA-N	417.487	1.952	50	40	HDGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	12403999	PZBQGVGZQFGDJJ-UHFFFAOYSA-N	420.447	1.940	50	40	HDGB	
COC(=O)N[C@H](C(=O)NN(C)C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C	95939661	AWDNLJAUHWJPBT-ZDUSSCGKSA-N	415.491	1.003	50	40	HDGB	
COc1cccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)c1	408677469	BXPCTJCIXDGVIO-WMLLRYHISA-N	424.247	1.748	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(N)=O	1105649	XPSYSXJOBZLCSA-SRZZPIQSSA-N	400.391	1.550	50	40	HDGB	
Cc1ccc(CN(CC(=O)NN)S(=O)(=O)c2ccc(Br)cc2)cc1	4689374	GBVTWHJAWAUSBA-UHFFFAOYSA-N	412.309	1.938	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccncc2)nnn1-c1nonc1N)C1CCCCC1	9308251	CCOSLNQYKZOTEW-SSDVNMTOSA-N	424.469	1.156	50	40	HDGB	
O=C(CCn1cncn1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	11658235	FDVYIOXNKOUPIY-UHFFFAOYSA-N	401.430	1.982	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1	20208020	GYGWTSZECMKADP-UDWIEESQSA-N	403.460	1.683	50	40	HDGB	
Cc1ccc(NC(=O)[C@H]2CCCN(CC(=O)NNC(=O)c3cccc(C#N)c3)C2)nc1	84191566	ICFMTIMVRICCQV-SFHVURJKSA-N	420.473	1.373	50	40	HDGB	
CCOP(=O)(CC(=O)NN[C@H]1OC(=O)c2c1ccc(OC)c2OC)OCC	2406899	FJXFQUKSTJNBCM-HNNXBMFYSA-N	402.340	1.760	50	40	HDGB	
O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)[C@H]1COc2ccccc2O1	2663027	GWINGGPGDVDFDB-MRXNPFEDSA-N	403.822	1.447	50	40	HDGB	
COC(=O)c1cc(C(=O)OCC(=O)NNC(=O)c2ccccc2F)cc([N+](=O)[O-])c1	9981390	CWBIBTAKCSPRPX-UHFFFAOYSA-N	419.321	1.139	50	40	HDGB	
COc1cccc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1O	13590365	HDQCQSVKCZRTEV-NKVSQWTQSA-N	407.390	1.533	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c(OC)c1	19954641	CBVGPWYQPUYWOE-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C1/CCc2ccccc21	25781947	JJGCOCPLQRFEKA-STZFKDTASA-N	409.454	1.155	50	40	HDGB	
COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)cc(OC)c1O	6004080	YVEINCOWHHHOCK-OJNOEAMPSA-N	417.418	1.798	50	40	HDGB	
O=C(COC(=O)CCCC(=O)Nc1ccc(F)cc1)NNC(=O)c1ccccc1	8417227	DXGFQSNXKDVMTO-UHFFFAOYSA-N	401.394	1.939	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1	20211411	MCDIFFLKKTYPLD-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cccc(CN2C(=O)CNC2=O)c1	27180186	VDTBFOSFZBFYRF-UHFFFAOYSA-N	416.437	1.895	50	40	HDGB	
COc1cccc(CC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1	409018667	XNXHWRGDUXQLKQ-HAHDFKILSA-N	411.458	1.626	50	40	HDGB	
N#Cc1ccc(Nc2nc(C3CCN(Cc4ccc(B(O)O)o4)CC3)cs2)cn1	585293960	CDBNJWUJMOIYBT-UHFFFAOYSA-N	409.280	1.806	50	40	HDGB	
CC/C(NNC(C)=O)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC	19894250	JVPYKEBTZORDRY-LFIBNONCSA-N	401.448	1.867	50	40	HDGB	
COc1c(OC(C)=O)ccc(/C=N\NC(=O)[C@@H]2COc3ccccc3O2)c1[N+](=O)[O-]	33324037	FSABHEIBGOSGCQ-DMOKECBHSA-N	415.358	1.819	50	40	HDGB	
O=C(NNC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)c1csc(N2CCOCC2)n1	102667623	VBANFLSCLQSOMU-NYYJTOMGSA-N	406.508	1.072	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1ccccc1C(=O)O)N/N=C/c1ccccc1C(=O)O	12538727	KYWOTHLPZRQOGD-FWSOMWAYSA-N	424.413	1.854	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1	16321314	CSHRUYVUCPDGMW-UDWIEESQSA-N	418.475	1.424	50	40	HDGB	
COc1ccc(C(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	102633226	XMWQHFCXHPCYMB-ZZIDHEKVSA-N	409.232	1.992	50	40	HDGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(Cl)c(OCC(N)=O)c(OC)c1	814137	HAAOHVVEOTZRTQ-INIZCTEOSA-N	421.837	1.857	50	40	HDGB	
Cc1c(Cl)cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	12990414	KKOGJQIPWSSSSI-UHFFFAOYSA-N	413.795	1.909	50	40	HDGB	
C[C@H]1CN(CC(=O)NNC(=O)COc2ccc(Br)cc2)C[C@@H](C)O1	13148678	HEOPXHNCPUAQOP-TXEJJXNPSA-N	400.273	1.085	50	40	HDGB	
O=C(COC(=O)Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1ccc(Cl)cc1	4493070	ZAJVIVJGPNFWFN-UHFFFAOYSA-N	414.805	1.123	50	40	HDGB	
Cc1ncc(CO)c(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1O	7786975	LFHHKSCBFQDXTK-SRZZPIQSSA-N	418.475	1.136	50	40	HDGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)cc(Br)c1O	11024139	DBSLXHQWWOWVCC-INJWIWPUSA-N	415.265	1.374	50	40	HDGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)cc1	409253404	FYSPLPWYIIZXLU-MFKUBSTISA-N	422.485	1.763	50	40	HDGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1	1303921	CNYLKWLLUTWCGR-OAQYLSRUSA-N	411.414	1.395	50	40	HDGB	
N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NC[C@H]1CCCO1	6242591	BJSCZAQCAJZUGF-SCOADAFUSA-N	401.444	1.796	50	40	HDGB	
COc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC	100958938	MSCKASQQZSGPBY-GFKDLEGOSA-N	416.455	1.483	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1	408536042	PPWABZCZUUUKFZ-VRNPJAIHSA-N	402.838	1.939	50	40	HDGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC[C@H]1CCCO1)Nc1ccccc1	409257031	RCXBXHQPFREBPF-QJTDOHDFSA-N	424.457	1.449	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2nn(C)cc2I)c1O	994141	OPRSIMWKQWJGSD-GIDUJCDVSA-N	400.176	1.503	50	40	HDGB	
CCN1C(=O)/C(=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)c2ccccc21	6953720	WXEPMHXBVPINFZ-LYBHJNIJSA-N	407.430	1.062	50	40	HDGB	
Cc1nc(SCC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)c(C#N)c(C)c1C	9285263	PLGICTJLGAODBZ-UHFFFAOYSA-N	422.470	1.668	50	40	HDGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCCN1C(=O)CN(C)C1=O	12689662	FLMBYIYMTZTBDP-UHFFFAOYSA-N	415.475	1.554	50	40	HDGB	
Cc1cccc(C)c1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O	19955503	MHMYWWQIHMEKSO-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)COc1ccc(F)cc1	32997935	OVEOBVIQFYSLGE-SFHVURJKSA-N	405.401	1.946	50	40	HDGB	
COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408680365	GEAXYGAVYBQLLR-WMLLRYHISA-N	424.247	1.748	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2ccc(O)c(OCC)c2)nnn1-c1nonc1N	1876698	HVXVXSNTTYVCAY-DJKKODMXSA-N	400.399	1.053	50	40	HDGB	
CN(C)Cc1c(C(=O)N/N=C/c2cccc(Cl)c2Cl)nnn1-c1nonc1N	2447840	AKPQSRZENYJORY-KPSZGOFPSA-N	424.252	1.365	50	40	HDGB	
CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1	3524892	SKROFTGDVIPGND-CQSZACIVSA-N	412.402	1.808	50	40	HDGB	
C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)NNC(=O)c1ccc[nH]c1=O	12984763	OWYJFNVAELKHPH-AWEZNQCLSA-N	405.410	1.834	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1	2632016	MGWOYGHXKBKSNO-UHFFFAOYSA-N	407.517	1.952	50	40	HDGB	
C[C@@H]1C[C@H](N(C(=O)Nc2cccc(Cl)c2)N(C)C)[C@@]2(C#N)C(=O)N=C(N)[C@]12C#N	5530347	FVDDNPDEXUWISJ-YOVKBJGQSA-N	413.869	1.976	50	40	HDGB	
C[C@@H](C(=O)O)N1CN(/N=C/c2ccc(Cl)cc2Cl)C(=N)N[C@]1(O)CCl	8655573	YJDKRYDWVLAXOR-AYKOLLQVSA-N	408.673	1.785	50	40	HDGB	
O=C(NNC(=O)c1ccccc1CN1C(=O)CNC1=O)c1cc2c(s1)CCCC2	10963632	RSRAPOVZKQUHSW-UHFFFAOYSA-N	412.471	1.754	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccccc1Br)c1ccc2c(c1)OCCO2	12897238	HRDXRVIRHWCDMZ-UHFFFAOYSA-N	413.249	1.844	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(F)cc(F)c1	15520211	XWAUSZPQJBSTBQ-UHFFFAOYSA-N	418.447	1.190	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2O)c1	16187486	PVIQBJSZRLUBTF-ODLFYWEKSA-N	407.448	1.180	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)CC1	408884772	VMLNKGNCYWELKU-UHFFFAOYSA-N	401.492	1.475	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1OC	2283228	ZSIPYZSIEIOEOV-UHFFFAOYSA-N	413.342	1.793	50	40	HDGB	
COc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	4180154	YZSKUBRHZOCTDM-FYJGNVAPSA-N	414.418	1.969	50	40	HDGB	
N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NC[C@@H]1CCCO1	6242586	BJSCZAQCAJZUGF-DNXIFWLFSA-N	401.444	1.796	50	40	HDGB	
COc1ccc(OCC(=O)NNC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1	32971060	AGVUPXNISRAMHM-LJQANCHMSA-N	417.437	1.815	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	408775204	FZNJMCUNBKVCGC-CPNJWEJPSA-N	420.447	1.910	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1O)S(C)(=O)=O	408775892	WDXNIXGJPISCKD-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCC(=O)c1cccs1	9883407	SCCYNZHKBKYBOX-UHFFFAOYSA-N	408.505	1.774	50	40	HDGB	
C[C@@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCN(CCOc2ccccc2)CC1	22089239	DOTBGCWGXYOGCD-KRWDZBQOSA-N	414.481	1.672	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc2ncccc12	102721266	UWNHJIROFDEEIS-SWEABUAFSA-N	422.466	1.927	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC	409146051	QFVICTICOCGOJP-VCHYOVAHSA-N	422.419	1.041	50	40	HDGB	
CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1	6376298	VYBNLWRRUBJTMX-SSDVNMTOSA-N	400.410	1.818	50	40	HDGB	
CCOc1ccccc1OCC(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	15934609	PKQYOGURWFCFMZ-UHFFFAOYSA-N	417.374	1.377	50	40	HDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(I)cc1	40159689	VUSYXEOEVCRYSV-AWEZNQCLSA-N	424.194	1.892	50	40	HDGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccccc2)CC1	6890142	UJPLDETUFWTBSH-FYJGNVAPSA-N	415.471	1.966	50	40	HDGB	
O=C(CSc1nnnn1-c1ccccc1)NNC(=O)Cc1ccccc1Cl	12346847	FWUMIVWWUYCLLH-UHFFFAOYSA-N	402.867	1.798	50	40	HDGB	
COCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59959749	GJWCJLVDOIXSBP-OEAKJJBVSA-N	418.494	1.117	50	40	HDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1	100929830	YRZRUCXZJAUCBU-UYRXBGFRSA-N	422.466	1.957	50	40	HDGB	
COc1cc(C(=O)NCC(=O)N/N=C/c2cccc(C)c2O)cc(OC)c1OC	3085121	UBROWYYVWZBBHI-LSHDLFTRSA-N	401.419	1.607	50	40	HDGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	38169729	SUZRYNCVDMJTFM-CAOOACKPSA-N	412.322	1.012	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC	409143121	UUPKYKRBUWYTAX-VCHYOVAHSA-N	422.419	1.041	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2sc(=S)n(C)c2C)cc1	2239017	ZJRKNAQJRRIYLN-UHFFFAOYSA-N	400.507	1.706	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	6544475	ZIFDOXKCYSFSIR-VXLYETTFSA-N	405.432	1.195	50	40	HDGB	
O=C(COC(=O)c1ccc(F)cc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1	7656261	MRIMDGVPFKUQGW-HNNXBMFYSA-N	408.769	1.623	50	40	HDGB	
CCn1c(=O)n(CC(=O)NNC(=O)c2cc(Br)c[nH]2)c2ccccc21	24617802	DFTGPCBYETXCSP-UHFFFAOYSA-N	406.240	1.375	50	40	HDGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1	6376317	MDMLYFDVVUBILI-SSDVNMTOSA-N	400.410	1.818	50	40	HDGB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccccc3)[nH]2)cc1	7604844	QQVFMOCVCXPYIZ-UHFFFAOYSA-N	410.459	1.983	50	40	HDGB	
O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)NNC(=O)c1ccccc1	8412446	BJSZQFDPUQWXIQ-UHFFFAOYSA-N	409.320	1.805	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)Cc3ccccc3)C2)s1	13007095	APKMQIHAFAYWEX-MRXNPFEDSA-N	421.544	1.847	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCN1CCOCC1	19851556	PNAAEKILXMTODA-IBGZPJMESA-N	411.462	1.656	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C#N)n2)cc1[N+](=O)[O-]	408721489	RQFQNHGAFBVALS-SRZZPIQSSA-N	419.405	1.336	50	40	HDGB	
COc1cc(SC)ccc1C(=O)OCC(=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	3537204	IXLXRBPPTAVFKH-UHFFFAOYSA-N	419.415	1.943	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1	20210903	ITGWGZFOBIQNRQ-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccc(Cl)cc1	138873547	KIUKFPSJTRRLFU-CYBMUJFWSA-N	419.821	1.286	50	40	HDGB	
O=C(CCCC(=O)N/N=C\c1ccccc1C(=O)O)N/N=C\c1ccccc1C(=O)O	4464076	KYWOTHLPZRQOGD-YFBGDSSHSA-N	424.413	1.854	50	40	HDGB	
CCCCn1nc(C)c(C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c1Cl	12792238	STEXXFBMSWKGRY-UHFFFAOYSA-N	416.869	1.967	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc(O)c3)CC2)cc1	30750470	MSVFKYNYUJTSJD-STZFKDTASA-N	416.503	1.157	50	40	HDGB	
Cc1cc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)no1	8414388	UWZGVDODOIBVJV-UHFFFAOYSA-N	408.798	1.360	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc2c(=O)n3c(nc2c1)CCC3	12933962	ROPPBZJNDTYHTK-UHFFFAOYSA-N	424.482	1.455	50	40	HDGB	
COc1ccccc1NCC(=O)NNC(=O)[C@@H](C)NC(=O)c1ccccc1Cl	32883648	BSAXOBRYRCJARS-GFCCVEGCSA-N	404.854	1.726	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)c1ccc(OC)cc1	59490261	KSNZLCJHTZOGCJ-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1ccc(F)cc1	409266096	OPPPTMXWOYJZDA-YDZHTSKRSA-N	412.421	1.916	50	40	HDGB	
Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@@H](O)CCl)n2Cc1ccccc1Cl	728235	APCGIMCQBPXHPS-JTQLQIEISA-N	415.302	1.817	50	40	HDGB	
C/C(=N\NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1cccs1	25782081	CJLTXYSVEQMZPT-YBFXNURJSA-N	415.483	1.434	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)CN2CCCCC2)cc1)NC[C@@H]1CCCO1	28214318	AIHVINVNKYUONZ-QMFLXTPQSA-N	402.495	1.297	50	40	HDGB	
COc1cccc(/C=N\NC(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1OC	31729692	RTFPZBFZJKHWNV-JMIUGGIZSA-N	401.379	1.884	50	40	HDGB	
O=C1OC(=O)[C@H]2[C@@H]1N1[C@@H](c3ccccc3)[C@H]3C(=O)OC(=O)[C@@H]3N1[C@H]2c1ccccc1	100494464	KWFYDQPIDCQJLO-LMMHAMTPSA-N	404.378	1.152	50	40	HDGB	
Cc1cc(O[C@@H](C)C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl	4392983	KNZHMOPXPZKHAK-QWHCGFSZSA-N	402.900	1.696	50	40	HDGB	
C[C@@H](OC(=O)c1cnn(-c2ccccc2)n1)C(=O)NNC(=O)c1cccc(Cl)c1	8036488	HENSNOKOEVLIQC-GFCCVEGCSA-N	413.821	1.927	50	40	HDGB	
COc1ccc(OC)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c1	101304700	HLQODBDTJNSJLZ-PQONFGHASA-N	404.897	1.544	50	40	HDGB	
C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408651245	CUCVEWPURLROCQ-CRAIPNDOSA-N	409.442	1.601	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)CC1	409186285	ZZFDSEJOGMSMNU-UHFFFAOYSA-N	417.329	1.413	50	40	HDGB	
Cn1/c(=N\NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)sc2ccccc21	3315320	LYPNWZBRRKSYHA-BGJQZGKRSA-N	424.482	1.996	50	40	HDGB	
O=C(CN1CCC(C(=O)N/N=C/c2ccc(O)cc2)CC1)N/N=C/c1ccc(O)cc1	5569268	XFDMINKYRFOMTK-RNIAWFEPSA-N	423.473	1.410	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)ccc1OC(=O)c1ccco1	8220002	POYKAUANIXUEHP-SSDVNMTOSA-N	411.370	1.867	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)c2ccccc2O)cc1	14187427	FMYSWSKFBAWVQH-QGZVFWFLSA-N	417.487	1.705	50	40	HDGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O	23109369	VALFWUQTZYDYNY-UHFFFAOYSA-N	424.388	1.948	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccccn1	408740493	GLLLGEUDPSFLBA-AHURVMIPSA-N	401.835	1.515	50	40	HDGB	
COCCCNC(=S)NNC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2C	17082521	XRJUMZHTVAONCB-UHFFFAOYSA-N	402.524	1.869	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1	19955055	ZHMHFZXDIPZIRH-UDWIEESQSA-N	419.459	1.700	50	40	HDGB	
C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1	36003718	ZCKNNLUAEPENIS-PYCFMQQDSA-N	414.531	1.842	50	40	HDGB	
Cc1ccccc1C(=O)NCC(=O)NNC(=O)CCN1CCN(c2ccccc2)CC1	12526757	AOHFFURIINRYTM-UHFFFAOYSA-N	423.517	1.085	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)ccc1O	408775400	HAVTXFANPWAKRR-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
CC(C)c1c(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nnn1-c1nonc1N	1808969	ANAAJCLSTSIXDD-NGYBGAFCSA-N	419.789	1.681	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NNC(=O)c2cccc(Cl)c2)cc1	3518763	VTUVDDIARTVUDS-UHFFFAOYSA-N	424.866	1.038	50	40	HDGB	
O=C(COc1ccccc1[N+](=O)[O-])NNC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1	26776866	YMDJVNNXWUDJRT-ZDUSSCGKSA-N	416.390	1.266	50	40	HDGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1cccnc1	36006947	NUACVNBPNYNYER-OQKWZONESA-N	415.519	1.237	50	40	HDGB	
N#C/C(C(=O)CN1CCN(Cc2ccccc2)CC1)=C1\NC(=O)c2ccccc2N1	105205441	FHZIKFLKKPVIGS-ZBJSNUHESA-N	401.470	1.964	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccoc2)nnn1-c1nonc1N)C1CCCCC1	2448408	QQVZXMCNSVXGHR-AWQFTUOYSA-N	413.442	1.354	50	40	HDGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1	3269419	CGPZBFHXGXHRDK-GHRIWEEISA-N	423.425	1.723	50	40	HDGB	
CNC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@H]1c1ccc(F)cc1	3771938	GHZRQDCZBOWBQR-CQSZACIVSA-N	414.418	1.207	50	40	HDGB	
COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	4110993	HMAAEUFHJLLLBP-QFIPXVFZSA-N	407.426	1.811	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	6356945	UMMOHXOWSUPGSE-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
C[C@H]1CN(Cc2ccc(C(=O)NNC(=S)NCC(F)(F)F)cc2)C[C@H](C)O1	62582459	PNJFPDBAVUDLDU-RYUDHWBXSA-N	404.458	1.967	50	40	HDGB	
COC(=O)C1=C2S[C@H](C)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	2408860	LHQHQGKTYYRGPV-YMTOWFKASA-N	401.444	1.843	50	40	HDGB	
C[C@H](NC(=O)c1ccccc1Cl)C(=O)NNC(=O)Cc1nc2ccccc2n1C	8163973	SQBRIIDTSLZPSY-LBPRGKRZSA-N	413.865	1.735	50	40	HDGB	
O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl)NCc1ccccc1	8433598	KHNBOAJOOBYHBK-UHFFFAOYSA-N	417.849	1.741	50	40	HDGB	
C/C(=N\NC(=O)C(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	9056997	PNPOENJKMLPSDP-AYKLPDECSA-N	412.362	1.884	50	40	HDGB	
COc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1	408645220	KHSKUFQVHALNCV-UHFFFAOYSA-N	413.430	1.808	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1-c1ccccc1	1878454	RLBWJSUVCFFYAX-QGMBQPNBSA-N	409.322	1.165	50	40	HDGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@]12C(=O)N(CC(N)=O)c1ccccc12	4741515	RSLLNAIPPWKVOJ-JOCHJYFZSA-N	412.409	1.281	50	40	HDGB	
CC/C(NNC(=O)c1ccncc1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O	9329888	UWWLIDLAHDCXKT-FOCLMDBBSA-N	409.402	1.272	50	40	HDGB	
O=C(NNC(=O)c1ccc2c(c1)OCCO2)c1cccc(NC(=O)[C@H]2CCCO2)c1	12933180	LLCDUSGAIGCECE-QGZVFWFLSA-N	411.414	1.650	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1	20210270	POXLTVYGAFXSEN-FYJGNVAPSA-N	416.459	1.514	50	40	HDGB	
C[C@H](CC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCOCC1	4715782	OYHMWVLDERGAFX-GFCCVEGCSA-N	401.385	1.742	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cn1cnc([N+](=O)[O-])n1	5358771	ZCIJYZWIMAQWQX-OAHLLOKOSA-N	408.378	1.493	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OCC)cc2)cc1	409173805	KKEXCVFEEPQDBK-ZVHZXABRSA-N	424.457	1.855	50	40	HDGB	
CCS(=O)(=O)c1ncc(Cl)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1	27666330	PZXDBJQMBXEOJM-UHFFFAOYSA-N	403.247	1.652	50	40	HDGB	
COC(=O)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OC	33684222	QDYJRFOKZVNUHE-JAIQZWGSSA-N	401.375	1.848	50	40	HDGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1	409008090	SYZNMGQYPGDAGR-UCQKPKSFSA-N	410.474	1.795	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1c(N2CCC[C@@H](C)C2)nc2c(C)cccn2c1=O	2390496	ZDFMACUKXNUXMC-YHZJOHHESA-N	409.490	1.909	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1ccccc1	13583277	CABGEMIDNSIHAL-FYJGNVAPSA-N	409.454	1.372	50	40	HDGB	
CN(CC(=O)N/N=C/c1ccccn1)S(=O)(=O)c1ccc(Br)cc1	16187209	SOAPSEMTEJXRSK-VCHYOVAHSA-N	411.281	1.615	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1OC	6761899	HDXIHTWDRDZUAO-YDZHTSKRSA-N	413.430	1.284	50	40	HDGB	
C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NNC(=O)c1cccs1	13019034	LVWOYEIFZHXMMM-SNVBAGLBSA-N	409.851	1.524	50	40	HDGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@@H]2[C@@H](NS(=O)(=O)c2ccccc2)[C@H]1Br	104073628	KGOZZWUUROJIPB-QRNINRFLSA-N	400.250	1.063	50	40	HDGB	
O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	17518909	SWYZWMOWLCBPRP-UHFFFAOYSA-N	402.414	1.707	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c(C)c1	408783100	JYXMXAMEIBUCRQ-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
O=[P@]1(N(CCCl)CCCl)N[C@H](SCCS(=O)(=O)O)CCO1	1580229	PBUUPFTVAPUWDE-AYLIAGHASA-N	401.274	1.831	50	40	HDGB	in-man
Cc1ccsc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	4086438	KFJBBHKQMLBRKF-VXLYETTFSA-N	408.505	1.187	50	40	HDGB	
C[C@@H]1C[C@@H](N(C(=O)Nc2cccc(Cl)c2)N(C)C)[C@@]2(C#N)C(=O)N=C(N)[C@]12C#N	5530461	FVDDNPDEXUWISJ-JKTDROMQSA-N	413.869	1.976	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)NCc1ccccc1	409253712	GIZSAOKQUWDFDX-ZMOGYAJESA-N	424.457	1.119	50	40	HDGB	
CCOC(=O)N1CCN(C(=O)CSC2=C(C#N)C(C)(C)[C@H](C#N)C(=O)N2)CC1	6654289	BPYGFVJZORCWFS-GFCCVEGCSA-N	405.480	1.051	50	40	HDGB	
O=C(/C=C/c1ccco1)NCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	2451024	UQDIPSPOAJFWGC-GQCTYLIASA-N	417.219	1.644	50	40	HDGB	
Cc1cc(OCC(=O)NNC(=O)CSc2ncc(C#N)c(N)n2)ccc1Cl	4126882	WNDQBDRMUUTRRM-UHFFFAOYSA-N	406.855	1.211	50	40	HDGB	
C[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O	13134901	RICNMDPJLFPUFM-SNVBAGLBSA-N	417.809	1.404	50	40	HDGB	
COc1c2c(c(Br)c([C@H]3ON=C(C(=O)NN)[C@@H]3C)c1OC)OCO2	15085732	BODINVAMGHXIIG-CDUCUWFYSA-N	402.201	1.248	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)c1OC	19954637	ZLRNKJYTDYKONF-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
CC(C)[C@@H](NC(=O)c1ccccc1F)C(=O)NNC(=O)COc1ccc(F)cc1	32997933	OVEOBVIQFYSLGE-GOSISDBHSA-N	405.401	1.946	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1OCCO	40119045	AAXZJVYADFUJIU-UHFFFAOYSA-N	409.236	1.904	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1ccc(F)cc1	408601913	CGHUCHITNADVIQ-FSJBWODESA-N	403.410	1.626	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)cc1	8571337	COONSAXPVVYFRD-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)ccc1O	8653998	NHIWHDUVHQBGRN-LSHDLFTRSA-N	421.417	1.923	50	40	HDGB	
O=C(/C=C/c1ccccc1)NN/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O	408536950	YLFORXXBOVRLAC-OBMWWMMPSA-N	404.426	1.526	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)NNC(=O)c1ccccc1Cl	408648565	ZFTLFEBINZQXGG-LBPRGKRZSA-N	419.821	1.286	50	40	HDGB	
Cc1cc(C)c(S(=O)(=O)NCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1	6607321	MZWJNMVOLAZRSL-VXLYETTFSA-N	404.448	1.949	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1O	3525248	BNBMHGOLVFCOLQ-DEDYPNTBSA-N	403.460	1.949	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2cccs2)nnn1-c1nonc1N)c1ccccc1	9293364	JNTCGBJYWWFMNR-KEBDBYFISA-N	423.462	1.694	50	40	HDGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	15722693	VYSZUFBHYIQLNB-LLVKDONJSA-N	414.353	1.543	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(Cl)cc1	19954310	NLSGSDHGDXKRQV-UHFFFAOYSA-N	406.851	1.579	50	40	HDGB	
O=C(N/N=C/C1=Cc2cc(Br)ccc2OC1)N[C@H]1CCS(=O)(=O)C1	84451690	ANOWEBPFHQCXOY-SRYMZENNSA-N	414.281	1.697	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1	669843	DBHSGCLWWDCZTI-UHFFFAOYSA-N	400.210	1.981	50	40	HDGB	
CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21	59461443	AFTJXBDJCOILLN-ZBJSNUHESA-N	423.429	1.944	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2nn(C)cc2I)c(OC)c1	825424	NJNRSFITTHNFIQ-FRKPEAEDSA-N	414.203	1.806	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(C)C)cc(OC)c1N(CCCl)CCCl	1763362	ZUUYAGNHXAHNFD-RGVLZGJSSA-N	405.326	2.000	50	40	HDGB	
COc1ccccc1C(=O)NCC(=O)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	2071443	QHONZSYRNDIFIG-UFWORHAWSA-N	417.334	1.097	50	40	HDGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1	4714650	YTLBJNFARJMMNU-CPOKCXMASA-N	411.458	1.762	50	40	HDGB	
CCN(C(=O)COC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1	5979352	PQRISTCZHWQUQF-MUMAZLPKSA-N	419.503	1.238	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccccc1	6510282	JONCKICBTOFYQE-UHFFFAOYSA-N	411.867	1.478	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C2\C(O)=Nc3ccc(F)cc32)cc1	7994847	MWCSNVUIMKDCNO-UHFFFAOYSA-N	404.423	1.877	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC	19954650	AOOPIZFGHLUYKO-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(C(=O)NN)cc1	22006939	AIOVWEPXSGEYLK-UHFFFAOYSA-N	414.447	1.260	50	40	HDGB	
C/C(=N\NC(=O)c1c(-c2ccccc2)nnn1-c1nonc1N)c1ccc(O)cc1O	2520715	QSDNUTPXMMDNNA-UFFVCSGVSA-N	420.389	1.465	50	40	HDGB	
O=C(CCC(=O)NNC(=S)Nc1ccccc1)NNC(=S)Nc1ccccc1	4823599	YFPLEDMOIVNQFF-UHFFFAOYSA-N	416.532	1.802	50	40	HDGB	
O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)c1cccc(Cl)c1	8353719	FTZUEHYYNQUFRH-UHFFFAOYSA-N	400.616	1.887	50	40	HDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NC)o2)cc1	408847617	NUABJGLBIBPQBV-UVTDQMKNSA-N	424.413	1.364	50	40	HDGB	
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N/NC(=O)Cn2[nH]nnc2=N)o1	408973983	SPYVHDFEMPUYSP-NGYBGAFCSA-N	420.773	1.066	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)cc1OC	5514890	JGQJAYIURLFRBM-YDZHTSKRSA-N	415.446	1.530	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1	6581653	BDEHQDMGCDVPKY-YBFXNURJSA-N	407.448	1.141	50	40	HDGB	
O=C(C[C@@H]1Sc2ccccc2NC1=O)NNC(=O)Cn1ccc(C(F)(F)F)n1	7987662	JXQABFFAYXIFDE-NSHDSACASA-N	413.381	1.552	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1	20060278	GAVWYUVMTOPYBU-UDWIEESQSA-N	403.460	1.837	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	31870541	PCIFCVSBLZZYFL-VXPBSYOQSA-N	414.374	1.010	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(I)cc1)c1ccncc1	226855108	HDPHXBQAMFQYOB-UHFFFAOYSA-N	403.201	1.310	50	40	HDGB	
COc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1[N+](=O)[O-]	408997378	OBQZLPJNTOLMAG-PXNMLYILSA-N	401.217	1.148	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1	6866419	RCUMMZPRTAGCSD-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
COc1nn([C@H](C)C(=O)NNC(=S)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	17087872	KYXANTCCQIIMKZ-MRVPVSSYSA-N	408.396	1.107	50	40	HDGB	
CCOC(=O)CNC(=S)/C(C#N)=C(\N)N1CCN(c2cccc(Cl)c2)CC1	100919093	JKTLDEBEAFNXOG-BMRADRMJSA-N	407.927	1.636	50	40	HDGB	
O=C(NN[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O)c1ccc2c(c1)OCO2	3375153	XXCDXMJXDRJIHL-CQSZACIVSA-N	401.806	1.631	50	40	HDGB	
CC(C)C[C@H](NC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN	4611606	IYCZMJMNVSEOOM-DLBZAZTESA-N	422.526	1.617	50	40	HDGB	
COc1cccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3Cl)C(=O)N=C2O)c1	9331550	JODTZCSARIRYSK-UVTDQMKNSA-N	414.805	1.954	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3cccnc3)nnn2-c2nonc2N)c1	13805897	YOFGUKVVCMROBG-SSDVNMTOSA-N	419.405	1.457	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	16187098	ZNIMMAGHEOAFBS-WOJGMQOQSA-N	406.420	1.374	50	40	HDGB	
Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)NN=C1CCCCCC1	25761133	CBZRPAUQHSZVFN-UHFFFAOYSA-N	401.475	1.658	50	40	HDGB	
CCn1nc(C(=O)NNC(=O)c2cnn3c(C)cc(C)nc23)c2ccccc2c1=O	40068721	NQLOOGRBQADSCU-UHFFFAOYSA-N	405.418	1.151	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c1	3203139	VMPDCVFSTQNVQV-ZICWZVMQSA-N	400.391	1.881	50	40	HDGB	
COc1cc(/C=C/C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1OC	6310510	WYTMHEDINAXFEK-BLGFXRMMSA-N	414.414	1.713	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2ccccc2O)ccc1OCC(=O)N1CCOCC1	38377053	PUXSQTWHQDXTAF-XKZIYDEJSA-N	413.430	1.402	50	40	HDGB	
O=c1n(Cc2ccccc2)c(=O)n2n1[C@H]1C[C@@H]2[C@H](Br)[C@@H]1Br	100930667	JNSLTQBHEOJKMD-IWDIQUIJSA-N	415.085	1.886	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3)CC2)cc1	1384007	YYVYIYUPUROCJW-UHFFFAOYSA-N	401.488	1.857	50	40	HDGB	
CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	1558301	IPFKXCPJNROMBP-DLBZAZTESA-N	417.510	1.734	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)c1	3275483	GFKPOHYPSCNWCD-YBFXNURJSA-N	407.448	1.598	50	40	HDGB	
COc1ccccc1N1C(=O)/C(=C/NNC(=O)c2ccccc2O)C(O)=NC1=S	9008416	YAXOCHAEWUMOAP-ZRDIBKRKSA-N	412.427	1.807	50	40	HDGB	
CN(CC(=O)NNC(=O)CCc1ccsc1)S(=O)(=O)c1ccc(Cl)cc1	12813845	DMJJUBOZNNRJFE-UHFFFAOYSA-N	415.924	1.802	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c2c1OCO2	15106064	CGTONIUUYIZXLQ-ZDUSSCGKSA-N	400.343	1.096	50	40	HDGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1[N+](=O)[O-]	33660510	SQJFHMGFNLSHLJ-UYRXBGFRSA-N	404.448	1.549	50	40	HDGB	
CC(C)NC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccco2)cc1	58872954	QVMJJTCEHQYHGJ-JJFYIABZSA-N	400.435	1.340	50	40	HDGB	
CC1(C)OC(=O)[C-]([C@@H](c2ccc3c(c2)OCO3)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	100325713	RFQOWHLGQJZRMR-DOMZBBRYSA-N	407.362	1.309	50	40	HDGB	
C[C@@H](CCC(=O)ON1C(=O)C[C@H](S(=O)(=O)O)C1=O)SSc1ccccn1	118216154	ORKSBKSSOSUJOY-UWVGGRQHSA-N	420.490	1.464	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1ccccc1C(=O)O)N/N=C\c1ccccc1C(=O)O	1691792	KYWOTHLPZRQOGD-SEKXJNOLSA-N	424.413	1.854	50	40	HDGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1	20207413	XVNUTCJVXKSAAT-KGENOOAVSA-N	402.476	1.951	50	40	HDGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1)Nc1ccccc1	409257144	QZQDPBCDZZSALH-BBMHEYIBSA-N	424.457	1.449	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)c(OC)c1	20210914	LQGQKZHXJSUWQB-VCHYOVAHSA-N	411.505	1.990	50	40	HDGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(C)(=O)=O	100205999	NAFBCIHWEBWXNW-UHFFFAOYSA-N	420.878	1.887	50	40	HDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(C)=O)o2)cc1	408882406	NYLHSSBYHDWGJX-SRZZPIQSSA-N	400.391	1.181	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/CCc2ccccc2)c1CN1CCCCC1	9272685	RGQBZSBTYQKTKF-SSDVNMTOSA-N	423.481	1.567	50	40	HDGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1Cl	10781452	VNLRAVRQCXOVKS-GFCCVEGCSA-N	401.806	1.983	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1)c1ccc2ccccc2n1	40069136	WAYWADJQDCXUNV-IBGZPJMESA-N	424.482	1.849	50	40	HDGB	
COc1cccc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c1O[C@@H](C)C(=O)O	409222415	XAHIQENYQGNUTF-XGTDKWECSA-N	417.374	1.984	50	40	HDGB	
COc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	8037065	QMNWXXITWGGRCX-HNNXBMFYSA-N	411.414	1.053	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccccc1C(F)(F)F)NNC(=O)c1ccccn1	12611935	XBFXWRSQUWJNHL-UHFFFAOYSA-N	416.381	1.230	50	40	HDGB	
COc1ccc(NS(=O)(=O)c2cccnc2N2CCC(C(=O)NN)CC2)cc1	98212142	PUTLIYAGRQLKAQ-UHFFFAOYSA-N	405.480	1.097	50	40	HDGB	
N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)NCc1ccccc1	408746561	FFUBHAVXFWFJDG-JBXOJTMHSA-N	404.451	1.817	50	40	HDGB	
Cc1[nH]c2ccc(F)cc2c1CC(=O)NNC(=O)CCC(=O)NCc1ccccn1	4663192	ACNBOBPYMAGEEW-UHFFFAOYSA-N	411.437	1.797	50	40	HDGB	
O=C(NNC(=O)c1ccccn1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O	12746983	BBPORJGDIRULSD-UHFFFAOYSA-N	407.407	1.534	50	40	HDGB	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NNC(=O)c1ccccc1O	2261897	XJGXNDBEWDZXMS-PKNBQFBNSA-N	400.778	1.447	50	40	HDGB	
CCc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1	6208128	HJBIENSJFQJVKO-INIZCTEOSA-N	409.442	1.834	50	40	HDGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCNS(=O)(=O)c1cccs1	9507200	NJLSZUDJKIBBLF-UHFFFAOYSA-N	417.896	1.540	50	40	HDGB	
C/C(=N\NC(=O)CN(c1ccccc1F)S(C)(=O)=O)c1ccc2c(c1)OCCO2	408880732	HBIMJSRDESJXHV-FYJGNVAPSA-N	421.450	1.903	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1	409156997	PPQQTGDEGFDBRC-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1C	409352608	XRQZLMPZBAZYOK-ZBJSNUHESA-N	414.487	1.566	50	40	HDGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	2542018	GZQQNDRWKDIRJQ-SSDVNMTOSA-N	418.417	1.884	50	40	HDGB	
CCc1ccc(C(=O)NNC(=O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)cc1	12989105	RDCPDCPZPOHQAD-JOCHJYFZSA-N	408.458	1.867	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1[N+](=O)[O-]	20207531	ONIRLJMNFKGBJH-YBFXNURJSA-N	420.447	1.828	50	40	HDGB	
COC(=O)C1=C(C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)C(C#N)=C(N)O1	78549353	BGDHOSHYKAPYCN-QFIPXVFZSA-N	401.378	1.911	50	40	HDGB	
COc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(Cl)Cl)s2)cc1	408732702	XPQNJYQWMYYZAW-REZTVBANSA-N	402.263	1.982	50	40	HDGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1cccnc1O	12101966	MDZQCDGDBZSIBX-UHFFFAOYSA-N	415.409	1.620	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)c1	12905238	CSWWWGJTHNPVLG-UHFFFAOYSA-N	411.414	1.428	50	40	HDGB	
Cc1cc(C(=O)OCC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2Cl)c(C)n1-c1ccccc1	16047166	HIQLWTDPOYNHNX-DLBZAZTESA-N	424.906	1.772	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	33712153	MHMRQPWBVOANBE-ODLFYWEKSA-N	420.447	1.683	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN)Cc2ccc(Br)cc2)cc1	409057791	IANZCJJWAHHVLD-UHFFFAOYSA-N	412.309	1.938	50	40	HDGB	
COC(=O)CN1C(=O)/C(=N\NC(=O)c2cncc(Br)c2)c2ccccc21	1297479	JAFPDKFXFVSEKJ-HKWRFOASSA-N	417.219	1.498	50	40	HDGB	
N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2)c2ccccc21	2429609	VULKCAXZTYHQJV-NULLBWFHSA-N	401.426	1.597	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(F)c2)c1	33713575	BZMKAZRSCKGXLJ-JAIQZWGSSA-N	409.439	1.614	50	40	HDGB	
N#C/C(=C\c1cc(Br)ccc1OCCO)c1nn(CCO)c(N)c1C#N	408719526	NCDKVFABWDBTLO-KPKJPENVSA-N	418.251	1.527	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1	409158550	TZICOCRJMKELRC-ZMOGYAJESA-N	424.457	1.773	50	40	HDGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1	12593376	SCJLZHBUKSEOAB-UHFFFAOYSA-N	424.548	1.676	50	40	HDGB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C\NNC(=O)c1ccccc1O	2308499	CCODXXRQIRWPSF-LCYFTJDESA-N	416.846	1.612	50	40	HDGB	
O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N/N=C/c1ccco1	4079710	FHRWISYRVOSAMI-FYJGNVAPSA-N	418.475	1.334	50	40	HDGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)c1	6327603	PMGVJVPBJRASJI-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
CCc1sc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1C	12677008	XPFATTBLHGVMPH-NSHDSACASA-N	413.496	1.886	50	40	HDGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCC(=O)N2CCCC2)cc1	409266208	PTKPUZGVJXHXOA-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
O=C(O)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1	3470190	XEMZMUNTRSGSRF-DEDYPNTBSA-N	401.444	1.933	50	40	HDGB	
C/C(=N/NC(=O)[C@H](C)n1nc(C)c([N+](=O)[O-])c1C)c1ccc(OCC(N)=O)cc1	9356647	TZIINHOWTVNJHE-NLLJVSSUSA-N	402.411	1.374	50	40	HDGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O	15938650	YLUCSCVYBCAEQY-JUYBRBHVSA-N	402.794	1.934	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1cc(O)ccc1O)N/N=C/c1cc(O)ccc1O	17419999	GNEBDTBPGINZLX-CLVAPQHMSA-N	400.391	1.280	50	40	HDGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccncc3)C(O)=NC2=S)cc1	38170575	KBVQTRJYDRSUBM-PTNGSMBKSA-N	411.443	1.887	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1	408782070	GUCGYMJIBAXISK-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCC(=O)N1CCOCC1	6640444	YJYKUFJYFFBCPE-YDZHTSKRSA-N	412.446	1.482	50	40	HDGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1	6647885	HDDKJQAAYXEURE-MFKUBSTISA-N	410.474	1.748	50	40	HDGB	
O=C(NNC(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(Br)c1	6664086	FWQCSBQNIHAARP-UHFFFAOYSA-N	403.192	1.054	50	40	HDGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2	101316535	LOLHHKAKNUABRU-CRGFQLQKSA-N	402.881	1.251	50	40	HDGB	
COCCCNC(=O)CSC1=C(C#N)[C@H](c2ccc(C(=O)OC)cc2)CC(=O)N1	6441089	GFNPYUOHKXZFGJ-HNNXBMFYSA-N	417.487	1.698	50	40	HDGB	
O=C(N/N=C/c1ccco1)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8386640	YZIRWVHRVDYPFL-ZNBBLSJYSA-N	401.335	1.851	50	40	HDGB	
Cc1ccc(C(=O)O)cc1S(=O)(=O)NNC(=O)c1cncn1-c1ccccc1	12506555	XAPUOIBNVCYWKJ-UHFFFAOYSA-N	400.416	1.502	50	40	HDGB	
O=C(NNc1nc(-c2ccncc2)no1)Nc1ccc(CN2C(=O)CCC2=O)cc1	95982978	WSACDACCXUEYRB-UHFFFAOYSA-N	407.390	1.929	50	40	HDGB	
COc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	1221529	PNVQIERURHNZEY-UHFFFAOYSA-N	418.866	1.878	50	40	HDGB	
Cc1cc2c(c(=O)n1Cc1ccccn1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	8036223	PKMUTGMREHWXLC-QHCPKHFHSA-N	411.421	1.925	50	40	HDGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	19953614	CBSSMYFTOWAXGV-AYPRBGQRSA-N	419.459	1.729	50	40	HDGB	
Nc1cc(Cl)ccc1C(=O)OCC(=O)NNC(=O)COc1ccc(Cl)cc1	6059859	UOZIDEAJKYTLTO-UHFFFAOYSA-N	412.229	1.959	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	58873402	QPKLTBVSZHFBEK-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
CN(C)CC(C)(C)CNCc1ccc2c(c1)cc(B(O)O)n2C(=O)OC(C)(C)C	201301275	VYWPVMOKIAJTNK-UHFFFAOYSA-N	403.332	1.782	50	40	HDGB	
COc1cc(CCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC	7406593	KBZHDSONEFPOCZ-GOSISDBHSA-N	416.430	1.632	50	40	HDGB	
C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NNC(=O)c1ccccc1-n1cccc1)C2=O	9883417	XAEFNWQFGRGQCY-OYHNWAKOSA-N	423.473	1.739	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(Cl)ccc2O)cc1	10600986	DOCVQOKJOPUZFT-UHFFFAOYSA-N	411.867	1.436	50	40	HDGB	
COc1ccccc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	15902540	KQWBHXWRYGNAMJ-UHFFFAOYSA-N	411.867	1.430	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1	6578706	OLZVTFDCAIKJDF-LSHDLFTRSA-N	418.837	1.562	50	40	HDGB	
O=C(CCC(=O)N/N=C/c1ccccc1C(=O)O)N/N=C/c1ccccc1C(=O)O	9871652	GKDKGZWOLHBFHG-XHQRYOPUSA-N	410.386	1.464	50	40	HDGB	
COc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	408680369	GEAXYGAVYBQLLR-ZZIDHEKVSA-N	424.247	1.748	50	40	HDGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1	6603036	HAZZXCNCDKYGPH-ZDUSSCGKSA-N	404.810	1.629	50	40	HDGB	
COc1cc(C[C@H]2CC(C(=O)N/N=C/c3cccnc3)=NO2)c(OC)c2c1OCO2	15085902	FLWUNLDKZLZLIM-KHAGQWAKSA-N	412.402	1.665	50	40	HDGB	
CCOC(=O)CNC(=O)C[C@H](CBr)NC(=O)OCc1ccccc1	16697890	UIWHQFNVOZDAJP-CYBMUJFWSA-N	401.257	1.746	50	40	HDGB	
COc1c2c(c(Br)c([C@@H]3ON=C(C(=O)NN)[C@H]3C)c1OC)OCO2	15085733	BODINVAMGHXIIG-MLUIRONXSA-N	402.201	1.248	50	40	HDGB	
C[C@H](C(=O)NNC(=O)c1ccc(F)cc1)N1CCN(CCOc2ccccc2)CC1	22089235	DOTBGCWGXYOGCD-QGZVFWFLSA-N	414.481	1.672	50	40	HDGB	
CC(C)C[C@@H](NC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NN	4611609	IYCZMJMNVSEOOM-SJORKVTESA-N	422.526	1.617	50	40	HDGB	
COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21	13773565	GSOGMBDNJNEHEQ-RMKNXTFCSA-N	423.385	1.205	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)CC1	20209926	ATEWJANXJLXHDI-UHFFFAOYSA-N	417.329	1.413	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccc2[nH]ccc2c1	100723442	JPEOFMHHBZAEIV-ADFUCPMPSA-N	410.455	1.860	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(=O)O	101345482	IJDDQFZJMUAWJQ-DGGAMASNSA-N	415.427	1.077	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1	408773641	SLOGKFWDIUQBDD-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)c1	408774367	VMIAMAIWSWCLBB-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
COCc1cc(C)n(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(=O)c1C#N	1099966	KAEDDZBTAZVJBL-ODCIPOBUSA-N	417.809	1.887	50	40	HDGB	
COc1ccc(C(=O)NNc2nc(C)cc(C)n2)cc1S(=O)(=O)NC(C)(C)C	22233933	WXOWUUUKEHSBNI-UHFFFAOYSA-N	407.496	1.936	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccccc2C(=O)O)CC1	59444353	PODVAHMJBXUQLY-HYARGMPZSA-N	410.430	1.192	50	40	HDGB	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1C[C@@H]1CCCO1	169293879	ASXVCDWGBDBHTH-HBVUFRJMSA-N	407.102	1.943	50	40	HDGB	
COc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408680367	GEAXYGAVYBQLLR-YTKNBERCSA-N	424.247	1.748	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O	408769662	YTSGRTJJNQYETE-XDHOZWIPSA-N	420.447	1.910	50	40	HDGB	
C=C(C)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	2041416	STOPANFMPLJRSQ-GOSISDBHSA-N	411.414	1.920	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cccc(F)c1	7384482	CSDPARHEHRKBQD-UHFFFAOYSA-N	400.457	1.051	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)(C#N)[C@@]2(C#N)C(=C(C#N)C#N)N2CCOCC2)cc1OC	35325201	PONNIQASMXQXBU-DENIHFKCSA-N	414.425	1.978	50	40	HDGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(O)c2)c(C)c(C#N)c1=O	409057429	PWQPBSGQZHIIRC-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1	6595741	MPXARRVOSXTNAB-HOTGVXAUSA-N	405.451	1.842	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1	6879496	RVVVZVFGNAFZSC-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)c1	8725532	KTSNFBIAUORBQI-UHFFFAOYSA-N	413.459	1.402	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)c1	20210062	CVVGHGHKMPSELY-FYJGNVAPSA-N	416.459	1.514	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1	58873165	PSWPMVVMNMGNBW-MYYYXRDXSA-N	424.501	1.789	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NCC(C)C)o2)cc1	408774943	YZILEBMCZNHAOP-NHDPSOOVSA-N	420.491	1.289	50	40	HDGB	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC	2100879	DIWDDRYIYCMDLV-RGVLZGJSSA-N	421.475	1.449	50	40	HDGB	
C=CCN1C(=O)c2ccc(C(=O)NNC(=O)COc3ccc(OC)cc3)cc2C1=O	12989810	RSCNLSGIJYCHGN-UHFFFAOYSA-N	409.398	1.317	50	40	HDGB	
COc1c(OC(C)=O)ccc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)c1[N+](=O)[O-]	16102531	FSABHEIBGOSGCQ-PADWCVLASA-N	415.358	1.819	50	40	HDGB	
COc1ccc(Br)cc1C(=O)NC(=S)NNC(=O)c1ccncc1	2590178	LRJHQTOMRFEZQA-UHFFFAOYSA-N	409.265	1.802	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccc(Br)cc1	20209863	JSXSQJFSQMYMIQ-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
Cc1cc(C)nc(SCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1	32636402	LYWCWQOZOVBWCI-UHFFFAOYSA-N	419.419	1.098	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1	58873115	MQROMPFCLCQQST-XKZIYDEJSA-N	402.495	1.879	50	40	HDGB	
O=C(NP(=O)(N1CCOCC1)N1CCOCC1)c1nnc(-c2ccccc2)o1	102922910	OWFNXVLWNPNZEW-UHFFFAOYSA-N	407.367	1.239	50	40	HDGB	
CN/C(SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)=C(\C#N)C(N)=O	3318646	MILZYXPTJQHCNH-GDNBJRDFSA-N	408.505	1.525	50	40	HDGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCCc2ccccc2)cc1	4525717	AWQWIYAZXZXAOO-PCLIKHOPSA-N	424.501	1.743	50	40	HDGB	
CCOc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	5576188	YYEXHZKHLAQOOF-DISPHTKASA-N	400.456	1.865	50	40	HDGB	
C[C@H](NC(=O)COc1ccccc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	9883786	HFEWGTMMIXIPMY-AWEZNQCLSA-N	420.425	1.955	50	40	HDGB	
CCC(=O)Nc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1	13150762	SZFUEQWPPYGPNJ-UHFFFAOYSA-N	415.435	1.157	50	40	HDGB	
CC(C)[C@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)Cc1nc2ccccc2n1C	14343123	FOORMCCOGIRXLH-FQEVSTJZSA-N	413.522	1.984	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)c1cc(-c2ccccc2)n[nH]1	17518978	PGCQREPGUPTGIJ-UHFFFAOYSA-N	413.459	1.206	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)C(Cl)Cl)s1	408731696	PEFZVLCJOIUPMD-REZTVBANSA-N	402.263	1.982	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1	6440677	NLKSUYLIFKZREO-LSHDLFTRSA-N	418.837	1.562	50	40	HDGB	
O=C(NNC(=O)c1ccc[nH]c1=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1	21899708	WJIIFDSBJGTQIW-UHFFFAOYSA-N	400.398	1.697	50	40	HDGB	
O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)NNC(=S)Nc1ccccc1	22698417	ANHJISAYUHIXQA-UHFFFAOYSA-N	411.487	1.561	50	40	HDGB	
COc1ccc(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	101312804	FJLWIBJGDZUZGT-UEUPWSJBSA-N	404.897	1.544	50	40	HDGB	
CCN1C(=O)[C@@H](C)S/C1=N/NC(=O)CSc1nc2ccccc2c(=O)n1CC	1652786	AVRQOBSJGKPFJG-MXHGCXIISA-N	419.532	1.880	50	40	HDGB	
CC(C)c1ccc(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1	7384534	PTNMLMMIAKRTPC-UHFFFAOYSA-N	410.521	1.726	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1	409167512	IWRWCETYAIZRKN-YSURURNPSA-N	422.363	1.919	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1	6604316	YLIZRTCOECMXLN-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
C[C@@H]1Sc2ccc(C(=O)NNC(=O)Cn3nnc(-c4ccccc4)n3)cc2NC1=O	9509395	VQPPGVDAAJGSFM-NSHDSACASA-N	423.458	1.234	50	40	HDGB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1ccncc1	17093518	RJRJJXGHKFCELJ-UYRXBGFRSA-N	423.429	1.565	50	40	HDGB	
NC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1ccccc1Br	25396427	SILAGVRIGKZPHC-AWEZNQCLSA-N	405.252	1.490	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	33658676	BOPRLJCUOISVNA-ODLFYWEKSA-N	420.447	1.683	50	40	HDGB	
COc1cccc(CC(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1	408757614	AWBBHHHDYBDZNT-QQZPLFJDSA-N	424.482	1.712	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)OC)cc1)S(C)(=O)=O	408781398	CHUULOUUZXNRBZ-FYJGNVAPSA-N	417.487	1.952	50	40	HDGB	
CCC(=O)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccc(OC)cc1	6461845	INIKFKWQQUUCFS-UHFFFAOYSA-N	423.472	1.276	50	40	HDGB	
O=C(CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl)NCc1ccco1	7939738	ASLMFNDCXNXGOD-UHFFFAOYSA-N	407.810	1.334	50	40	HDGB	
CCCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1	12910319	WPOVIINILJPFSV-UHFFFAOYSA-N	411.867	1.851	50	40	HDGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(CCC#N)c3ccccc32)c1	4614965	WNMOLPSRCZUKJC-QLYXXIJNSA-N	419.441	1.271	50	40	HDGB	
COCCCNC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)CC(=O)N1	6441094	GFNPYUOHKXZFGJ-OAHLLOKOSA-N	417.487	1.698	50	40	HDGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	408913230	SFIZVRJTRFBCSK-XNQWGTPPSA-N	412.446	1.358	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O	408921138	FBETYRTVVAJZEI-YBFXNURJSA-N	405.432	1.310	50	40	HDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1NC(C)=O	5261828	NHZADHYHEJTEEK-UHFFFAOYSA-N	416.459	1.769	50	40	HDGB	
N#Cc1ccccc1OCC(=O)NNC(=O)CCNC(=O)c1ccc(Cl)cc1	6929934	LUTQQTKDDLCEGA-UHFFFAOYSA-N	400.822	1.558	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1	9368540	AXRJXOSEHZOGGR-SRZZPIQSSA-N	422.894	1.470	50	40	HDGB	
COc1ccc(CC(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(OC)c1	12944582	QQBCWDSRKQVWBN-UHFFFAOYSA-N	424.457	1.998	50	40	HDGB	
Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@@H](c1cccnc1)C(C#N)=C(N)O2	12971050	XLTILEMAYCZOPR-IBGZPJMESA-N	407.474	1.492	50	40	HDGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c1	20356396	CMIAJFQAWXMZBH-FQEVSTJZSA-N	422.485	1.716	50	40	HDGB	
CC(C)C[C@H](C(=O)N([C@H]1CCS(=O)(=O)C1)N(C)C)N1C(=O)c2ccccc2C1=O	25042784	BLOAUZVIYMCOSN-WMLDXEAASA-N	421.519	1.190	50	40	HDGB	
CC(=O)NNC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	1893620	UIYBKCGQUWBTGH-ZSOIEALJSA-N	407.473	1.564	50	40	HDGB	
Cn1/c(=N\NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)sc2ccccc21	3315316	LYPNWZBRRKSYHA-KMYSMRNCSA-N	424.482	1.996	50	40	HDGB	
Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3O)C2=O)c(C)c1	4837491	LNYMUYIKTKJFGP-XNTDXEJSSA-N	408.414	1.719	50	40	HDGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccccc1O	13004738	HYGZPIKIHDAPKR-XSFVSMFZSA-N	403.460	1.567	50	40	HDGB	
CC(=O)NNc1nc(C)c(C(/C=C/c2cccc([N+](=O)[O-])c2)=N/NC(N)=O)s1	25574603	WSELXQYZTXSFQA-CQYYAIEWSA-N	403.424	1.909	50	40	HDGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)CN2CCOCC2)cc1Cl	408995041	KZWJUPRMDJBRFO-UWVJOHFNSA-N	404.250	1.328	50	40	HDGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	13618063	JJEHZKSDDBQEDH-LLWUOSFCSA-N	409.398	1.257	50	40	HDGB	
COc1cc(/C=N\NC(N)=O)c(Br)c(I)c1O	36611140	VRQLAVASXMGAHH-DXNYSGJVSA-N	413.997	1.770	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1)N1[C@@H]3C(=O)OC(=O)[C@H]3[C@H](c3ccccc3)N21	239338640	KWFYDQPIDCQJLO-WJWMFLMHSA-N	404.378	1.152	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2nonc2N)ccc1Oc1ccc([N+](=O)[O-])cc1C#N	408974188	WPNXYDHMWVIHBE-NKVSQWTQSA-N	423.345	1.996	50	40	HDGB	
C[C@@H](Oc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1)C(=O)NN	1785351	PCAGLDQPELMYOE-SNVBAGLBSA-N	402.476	1.735	50	40	HDGB	
Cc1ccc(NC(=O)CCC(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C	12039995	CBGJYNIIWVHXQH-UHFFFAOYSA-N	420.447	1.940	50	40	HDGB	
CS(=O)(=O)/N=C1/C=C(NNC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccccc21	16807703	GOQUMZUOVDUDIB-QNGOZBTKSA-N	414.399	1.358	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)N1[C@H]3C(=O)OC(=O)[C@@H]3[C@H](c3ccccc3)N21	100494466	KWFYDQPIDCQJLO-ONTMVUMWSA-N	404.378	1.152	50	40	HDGB	
Cc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)n1	6942756	KTDVCNLNAJQTLI-KEBDBYFISA-N	401.448	1.558	50	40	HDGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCn2c(=O)oc3ccccc32)cc1	7285744	YOPPJSRZVJTWLK-AWEZNQCLSA-N	413.430	1.998	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccc3C)CC2)cc1	36154291	FBJSXUVVHLIXON-JCMHNJIXSA-N	414.531	1.760	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408911262	MMYLMVDWOQYYEP-ZXOFLVKFSA-N	403.460	1.778	50	40	HDGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)cc1	409256921	MTVNPUQSZGMSGR-WSDLNYQXSA-N	410.430	1.441	50	40	HDGB	
COc1ccc(CC(=O)NCC(=O)N/N=C2\C(=O)N(CCC#N)c3ccccc32)cc1	5981944	WVXRWYNNQXEPMA-QLYXXIJNSA-N	419.441	1.135	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2cccs2)C(C)C)cc1	14201548	IIJOKKAMHQANQR-OAHLLOKOSA-N	411.505	1.521	50	40	HDGB	
Cc1cc(SCC(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)nc2ccccc12	16774906	JFMOOBQFIYEKFA-CYBMUJFWSA-N	407.517	1.608	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C(F)(F)c2ccccc2)cc1	40115922	ZGIUQFSUIQOLCX-UHFFFAOYSA-N	411.430	1.555	50	40	HDGB	
N#Cc1ccc(OCC(=O)NNS(=O)(=O)c2ccc(Br)cc2)cc1	3305070	PFVDQGLFKIINKP-UHFFFAOYSA-N	410.249	1.709	50	40	HDGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(N)=O)o2)cc1	5007933	AVLIFHPBIUVYRN-LCYFTJDESA-N	410.386	1.103	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(S(=O)(=O)NC)c3)ccc21	16503118	DAOYWHQKXAEAPI-UHFFFAOYSA-N	415.475	1.348	50	40	HDGB	
COc1ccccc1NC(=O)CC(=O)NNCC(=O)Nc1nnc(-c2ccccc2)o1	1628505	KPPOTKDYPBPFRW-UHFFFAOYSA-N	424.417	1.333	50	40	HDGB	
CC(=O)Oc1ccc(C(=O)NNC(=O)[C@@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)cc1	9287783	KYBLSIBBFREUTA-SFHVURJKSA-N	423.381	1.321	50	40	HDGB	
Cc1oc(-c2cccs2)nc1CC(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12	12888038	CCOHUFTYQMLLLS-UHFFFAOYSA-N	409.427	1.952	50	40	HDGB	
Cc1[nH]cc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(=O)c1Cl	89505484	VDPAUKZLVSXEKN-UHFFFAOYSA-N	415.837	1.702	50	40	HDGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)C(=O)N1CCOCC1	101401869	TVFGEEBGIHSLON-KEBDBYFISA-N	401.250	1.673	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccc(C)cc3)nnn2-c2nonc2N)c1	2452710	YXZOCUHMHASSLY-SSDVNMTOSA-N	418.417	1.980	50	40	HDGB	
CCOC(=O)[C@@H]1C(O)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	3668368	VUYCADVBXMHEPE-KGLIPLIRSA-N	404.404	1.781	50	40	HDGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCN1C(=O)COc2ccccc21	8029937	VNUUOICYFBJXGQ-CYBMUJFWSA-N	401.394	1.556	50	40	HDGB	
CN1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Br)ccc21	79483982	PSZGUGZTCYPZDF-SFHVURJKSA-N	415.247	1.550	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)c1	408780161	UFTJSTGHVHVKIE-UDWIEESQSA-N	419.459	1.537	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1	409120205	VVASECURHOWKHS-UDWIEESQSA-N	419.459	1.398	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(O)c2)cc1	2285201	APSFSCBOPHBKOL-YBFXNURJSA-N	404.448	1.121	50	40	HDGB	
CCC(=O)N(C)CCc1cc2c(c(OC)c1/C=N/NC(=O)c1ccncc1)OCO2	5552944	UJFOUADBADKNNC-FSJBWODESA-N	412.446	1.994	50	40	HDGB	
Cc1nnc(SCC(=O)NNC(=O)COc2ccc(Br)cc2)n1C	6790824	QWZPPYJHSMYUMP-UHFFFAOYSA-N	414.285	1.205	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2)c1	6953917	BYEYXOMRKCAFNH-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
COc1cccc(-n2nnc3c(N4CCN(C(=O)CCCl)CC4)ncnc32)c1	9850646	XKWXMQBUMWBFOZ-UHFFFAOYSA-N	401.858	1.497	50	40	HDGB	
O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)NNC(=O)C1CCCCC1	932492	GYURWBCXOVSGHW-UHFFFAOYSA-N	418.479	1.253	50	40	HDGB	
C[C@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2cccc(Cl)c2)C1=O	5273211	ACJKWUVVUMFQAL-LJQANCHMSA-N	400.822	1.568	50	40	HDGB	
Cc1cccc(OCC(=O)NNC(=O)C[C@@H](NC(N)=O)c2ccccc2Cl)c1	9252858	KDBDPDRBYPELDZ-MRXNPFEDSA-N	404.854	1.974	50	40	HDGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C1CCN(C(=O)c2ccncc2)CC1	12981544	TYSMXQZZCGTGDR-AWEZNQCLSA-N	414.437	1.688	50	40	HDGB	
CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1cccc(F)c1	3770422	UVBCSVSWYOGDAH-JSGCOSHPSA-N	416.434	1.081	50	40	HDGB	
O=C(CN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Br)cc1	5517244	TVHOKQXIOPEWJG-UHFFFAOYSA-N	402.204	1.506	50	40	HDGB	
COc1ccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1OC	13512721	JHUBGEKJFACJJU-KEBDBYFISA-N	414.426	1.527	50	40	HDGB	
CCc1ccc(OCC(=O)NNC(=O)c2cccc(NS(=O)(=O)CC)c2)cc1	24748517	MYRWVLVUMJJAAU-UHFFFAOYSA-N	405.476	1.851	50	40	HDGB	
CCOc1ccc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)cc1	59434043	XISAUJOBNDOWIO-XQNSMLJCSA-N	410.474	1.893	50	40	HDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@@H](C(=O)OC)C(=O)N1	409321134	RSVGHXPLEJAECD-HUUCEWRRSA-N	418.427	1.117	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)cc1	19955007	JQMUMHYCFUACRA-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
COCCN1C(=O)C[C@H](NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)C1=O	102321384	RGQLCBIJCQZSNI-HNNXBMFYSA-N	407.467	1.128	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O	408773920	UCEFDSCBMUEYGR-UDWIEESQSA-N	403.460	1.864	50	40	HDGB	
CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NNC(=O)C1CCCCC1	6930031	RHKJSWQMDCFDSR-MRXNPFEDSA-N	413.565	1.814	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)ccc1O	9423288	FLFSUTQGPYDZOB-MLJKTZRHSA-N	401.444	1.392	50	40	HDGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1I	59334204	MBIJLNPJJMKVKW-WDZFZDKYSA-N	414.199	1.838	50	40	HDGB	
O=C(CNC(=O)c1cccs1)N/N=C1\C(=O)Nc2ccc(Br)cc21	100712068	IQPPWUQFFZKARQ-UHFFFAOYSA-N	407.249	1.713	50	40	HDGB	
COc1ccccc1C(=O)N/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	408763854	KTQSOGRBACTMNN-SYZMQFJCSA-N	410.455	1.783	50	40	HDGB	
O=C(NCc1cccnc1)C(=O)N/N=C/c1cc2c(cc1Br)OCO2	3061931	FZMCPIPIPIIALK-DNTJNYDQSA-N	405.208	1.339	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)c1	26901392	VTTIRHJCSFJDLC-ZDUSSCGKSA-N	401.419	1.610	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Cl)cc1	408536041	PPWABZCZUUUKFZ-NMRNAWEASA-N	402.838	1.939	50	40	HDGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc21	6231307	UAYRSZNSUMLQMQ-XHPQRKPJSA-N	407.405	1.726	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1OC	6356939	PBHDBDWPZSYHJL-RGVLZGJSSA-N	409.439	1.614	50	40	HDGB	
NS(=O)(=O)c1ccc(NNC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1	12565809	MVVVTWKSLWSNNR-UHFFFAOYSA-N	405.186	1.355	50	40	HDGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1	13021224	CRWOBFRCHGUSLO-UONOGXRCSA-N	403.410	1.886	50	40	HDGB	
Cc1cc(/C=C(/C#N)C(=O)N2CCOCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965999	KULJXUYLLHPRDM-ATVHPVEESA-N	414.487	1.507	50	40	HDGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC	409143682	GPXROFKZLVRXIE-DNTJNYDQSA-N	402.363	1.903	50	40	HDGB	
Cc1c(Cl)cccc1N1C(=O)C[C@H](NNC(=O)c2ccc3c(c2)OCO3)C1=O	2656226	UUJVJRVIZVOPSX-ZDUSSCGKSA-N	401.806	1.944	50	40	HDGB	
COc1ccc(C(=O)NN(CCC#N)C2=NS(=O)(=O)c3ccccc32)cc1OC	4681339	IUXJNANCCMYUIN-UHFFFAOYSA-N	414.443	1.713	50	40	HDGB	
COc1cccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1	9423780	VTAYKEYTTWWQTM-AYCSXLNKSA-N	401.444	1.387	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1	58873662	YZJFDCKICLLFGY-DXRSZSRVSA-N	410.474	1.918	50	40	HDGB	
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(=O)NN	4773111	CTSFJLGVDUGQSN-CABCVRRESA-N	421.523	1.008	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2ccccc2C(F)(F)F)nnn1-c1nonc1N	5500105	NBKXLCQYOJQRKU-ODCIPOBUSA-N	408.344	1.968	50	40	HDGB	
CC(C)n1nc(C(=O)OCC(=O)NNC(=O)c2cccs2)c2ccccc2c1=O	5977400	UYRHBWKJTHENCE-UHFFFAOYSA-N	414.443	1.657	50	40	HDGB	
O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)COc1ccccc1Cl	7982255	KBRMBRKFDZZETF-UHFFFAOYSA-N	400.822	1.736	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1	408527927	AJNOPIJYXJJGFO-CNPYVQQSSA-N	421.413	1.568	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	408781747	FOGLXDFZYJVNJZ-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409026261	KEKKYKFPSIVLIH-CPNJWEJPSA-N	420.447	1.910	50	40	HDGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	59959935	XOUTYWZGQZWEEL-HYARGMPZSA-N	402.495	1.833	50	40	HDGB	
CC(=O)Nc1ccc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(NC(C)=O)cc2)cc1	1686330	AGMGIKYRJXGBLV-XHQRYOPUSA-N	408.418	1.204	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cc(C)ccc1O	9423289	FLFSUTQGPYDZOB-GRRFOWRYSA-N	401.444	1.392	50	40	HDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1	409151096	GMTVSSPIDRWXPF-BUVRLJJBSA-N	408.458	1.454	50	40	HDGB	
COc1ccccc1/C=C(/NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)NN	1504117	ZRDJDSRFMFWJPT-NTEUORMPSA-N	401.419	1.482	50	40	HDGB	
C=CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1	12982065	KBXAPOGXCDEHJC-UHFFFAOYSA-N	403.460	1.577	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)N1[C@@H]3C(=O)OC(=O)[C@@H]3[C@@H](c3ccccc3)N21	239338639	KWFYDQPIDCQJLO-RFSXOUPVSA-N	404.378	1.152	50	40	HDGB	
COc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)c1	409253054	DNKNDOHBVRELDO-WSDLNYQXSA-N	410.430	1.441	50	40	HDGB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1cccc(O)c1	3232508	NYROJDXBCKEBRC-RCCKNPSSSA-N	417.487	1.496	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1OC	6583075	AALLDOUEYRLXJW-VXLYETTFSA-N	411.867	1.786	50	40	HDGB	
COc1ccccc1N/C=C1\C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)C(C#N)=C1C	8993103	DUYFXLRYCSZJSB-OJNRTJSBSA-N	401.444	1.387	50	40	HDGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	3081036	IKYYOFHRUFQOHN-FBCYGCLPSA-N	405.298	1.228	50	40	HDGB	
C/C(=N\NC(=O)CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])o1)c1ccc([N+](=O)[O-])o1	13372539	MABXFGULULSMRM-GONBZBRSSA-N	406.311	1.460	50	40	HDGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@@]2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1	1303920	CNYLKWLLUTWCGR-NRFANRHFSA-N	411.414	1.395	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1cc(O)ccc1O)N/N=C\c1cc(O)ccc1O	4962683	GNEBDTBPGINZLX-NGHQTVFFSA-N	400.391	1.280	50	40	HDGB	
CCN(C(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1	6205441	AEZLXFCSAVPTTI-DDITZMBXSA-N	406.460	1.181	50	40	HDGB	
NC(=O)C(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2ccccc21)c1ccc2ccccc2c1	6576591	KNAAVNFUUCPYLP-BOJFNEGLSA-N	402.410	1.375	50	40	HDGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N\NC(=O)Cn1nnc(-c2ccccc2)n1	12372226	SHMBSXJWJBKFFF-MTJSOVHGSA-N	402.418	1.690	50	40	HDGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	13021701	RIIYZGOUOIXBKY-KXBFYZLASA-N	424.457	1.918	50	40	HDGB	
COc1ccc(/C=N/OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)cc1	18324673	XZFYGBLFTTXMSZ-KEJZAOJNSA-N	409.446	1.432	50	40	HDGB	
CCc1ccc(NS(=O)(=O)c2cccnc2N2CCC(C(=O)NN)CC2)cc1	67244833	SADIHQOCOSNDKE-UHFFFAOYSA-N	403.508	1.651	50	40	HDGB	
Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	4700295	YMVRAGICLQIBKM-UHFFFAOYSA-N	400.391	1.628	50	40	HDGB	
O=C(Cc1cnn(-c2ccccc2)c1)NNC(=O)Cc1cnn(-c2ccccc2)c1	40158862	MZYNNUGLPDCKAP-UHFFFAOYSA-N	400.442	1.991	50	40	HDGB	
COC(=O)c1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc([N+](=O)[O-])c1	101450288	QJFRWDWBYFZKTI-UHFFFAOYSA-N	405.279	1.955	50	40	HDGB	
COc1cccc(CC(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1	408757613	AWBBHHHDYBDZNT-ORWNMUSCSA-N	424.482	1.712	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cc2nnc(N)s2)ccc1OCCBr	2303405	WPNGBHMCPWFJOZ-CAOOACKPSA-N	414.285	1.595	50	40	HDGB	
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(OCCc2ccccc2)c1	12129020	YUKDRSYRMSRGOO-HYARGMPZSA-N	407.430	1.163	50	40	HDGB	
COc1cc(S(=O)(=O)NNC(=O)COc2ccccc2F)ccc1NC(C)=O	13068673	CFSCZDYCFCSHNA-UHFFFAOYSA-N	411.411	1.181	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1	20060436	WSQBAFIBNDEHSC-UDWIEESQSA-N	419.459	1.398	50	40	HDGB	
C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NNC(=O)c1ccccn1	30671574	XJZODVKCBQRETH-NRFANRHFSA-N	407.430	1.232	50	40	HDGB	
O=C1[C@H]2[C@H](C(=O)N1c1ncccn1)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	101169997	PADHABJMXCQDJV-JRKXVGBNSA-N	401.058	1.759	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc(Cl)cc1	250261068	ULKSNPBQYNMQOJ-PTEOKISQSA-N	413.655	1.672	50	40	HDGB	
COC(=O)c1sccc1S(=O)(=O)NNC(=O)COc1ccc(Cl)cc1	12754105	LQSGFSUEJWGFAW-UHFFFAOYSA-N	404.853	1.577	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1	59101404	SJAYQLGKNLNDET-AWQFTUOYSA-N	419.235	1.402	50	40	HDGB	
CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	1558299	IPFKXCPJNROMBP-IAGOWNOFSA-N	417.510	1.734	50	40	HDGB	
O=C(NC(=S)NNC(=O)c1ccccc1I)c1ccco1	2316739	NMPAPQNOFQBKFL-UHFFFAOYSA-N	415.212	1.834	50	40	HDGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1OC	12818048	BRHOOEPMOVAUEY-PKNBQFBNSA-N	408.414	1.425	50	40	HDGB	
Cc1cc(C(=O)OCC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)c(C)n1-c1ccccc1	16047167	HIQLWTDPOYNHNX-IRXDYDNUSA-N	424.906	1.772	50	40	HDGB	
CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)s1	21969830	QTKYWYGJHYZFOM-UHFFFAOYSA-N	420.516	1.325	50	40	HDGB	
O=C(NNc1ncc(F)c(N2CCOCC2)n1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	408722138	OYOPHWHEJWRBIQ-UHFFFAOYSA-N	407.318	1.026	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2[nH]ccc2c1	8991226	JPEOFMHHBZAEIV-DISPHTKASA-N	410.455	1.860	50	40	HDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1	13021704	RIIYZGOUOIXBKY-HNAYVOBHSA-N	424.457	1.918	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CNC(=O)c3ccc4c(c3)OCO4)ccc21	16502687	VNKOUNSERDJVDD-UHFFFAOYSA-N	423.429	1.284	50	40	HDGB	
O=C(CSc1nnc(O)[nH]c1=O)N/N=C/c1ccccc1OCc1ccccc1	1748551	OQIXROXILWARSA-KEBDBYFISA-N	411.443	1.692	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1	408706745	DAAFZSMLBXMZKX-UFFVCSGVSA-N	423.267	1.867	50	40	HDGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	408911351	NDANQZRRLBLVFH-ZFJBLLOBSA-N	413.430	1.958	50	40	HDGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	409159203	QIABLQLNFVESIP-OEAKJJBVSA-N	424.457	1.321	50	40	HDGB	
COCCN1C(=O)C(=O)/C(=C(/C)NNC(=O)c2ccccc2O)[C@@H]1c1ccccc1	102782027	HSIHQEWYENZATH-BSKAQADGSA-N	409.442	1.700	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(C)c2)S(C)(=O)=O)cc1OC	408775836	VGJSRQNEZWBWOP-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1	4452931	JIXQAZVNBFSOSA-FPOVZHCZSA-N	416.485	1.684	50	40	HDGB	
Cc1ccc(S(=O)(=O)CC(=O)NNC(=O)c2ccc(Br)cc2)cc1	8475377	UBJCABFLRALGQM-UHFFFAOYSA-N	411.277	1.992	50	40	HDGB	
COc1c(Br)c([C@@H]2ON=C(C(=O)NN)[C@H]2C)c(OC)c2c1OCO2	14987715	HCZYOIULHMBJRB-MLUIRONXSA-N	402.201	1.248	50	40	HDGB	
N#C/C(C(N)=O)=C1\S[C@@H](Cc2cccc(-n3cnnn3)c2)C(=O)N1c1ccccc1	96306126	ARXAOZHGCAZSJG-BJMRFWQKSA-N	417.454	1.574	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1	408779391	WAQCNPDYOMHOBB-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12	5015235	QTEIFUMIJAGNDY-FYXHJSOBSA-N	410.474	1.606	50	40	HDGB	
C=CCN1/C(=N/C=C(\C#N)C(=O)Nc2ccccc2)S[C@H]2CS(=O)(=O)C[C@@H]21	5489451	PRIXKDMTXLULIF-AZASBHERSA-N	402.501	1.789	50	40	HDGB	
O=C(CN1CCOCC1)N/N=C\c1cc(Cl)cc(I)c1O	408994209	HHDAJISJEHQWOL-APSNUPSMSA-N	423.638	1.433	50	40	HDGB	
COc1cc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc(OC)c1OC	3309456	DLFXQSURLBDDPB-UHFFFAOYSA-N	411.392	1.244	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1	6441354	WTNPCRKROJRTCK-UDWIEESQSA-N	405.476	1.616	50	40	HDGB	
CC1(C)Cc2cccc(OCC(=O)NNC(=O)Cn3nnc(-c4ccccc4)n3)c2O1	9509314	LCTDDINSTATOIK-UHFFFAOYSA-N	422.445	1.280	50	40	HDGB	
Cc1ccc(-c2cc(C(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)[nH]n2)cc1	12507061	LQHXSUBGGWONFG-UHFFFAOYSA-N	402.414	1.707	50	40	HDGB	
C[C@H]1CN(Cc2ccc(C(=O)NNC(=S)NCC(F)(F)F)cc2)C[C@@H](C)O1	62582448	PNJFPDBAVUDLDU-TXEJJXNPSA-N	404.458	1.967	50	40	HDGB	
O=C(COC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1	408647459	SZVFRYUTJRCPHS-UHFFFAOYSA-N	424.862	1.508	50	40	HDGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)N3CCCC3)cc2)c1	409154125	NUUXNUMBQXZYFS-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
O=C(N/N=C/c1cccc(OCC(=O)N2CCCC2)c1)C(=O)Nc1ccc(F)cc1	409260084	KLCIOYIEPKNYNC-YDZHTSKRSA-N	412.421	1.916	50	40	HDGB	
CCOC(=O)C1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)CC1	2201129	SOHRHCPQADYDSO-RVDMUPIBSA-N	409.446	1.175	50	40	HDGB	
COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	8208013	MZGMGAHPILETFI-BTZNOAQDSA-N	410.386	1.319	50	40	HDGB	
BrC[C@H]1CN/C(=N\CC/N=C2\NC[C@H](CBr)S2)S1	95795376	AVTZRNUMOWZLRG-YUMQZZPRSA-N	416.208	1.898	50	40	HDGB	
CN(C)Cc1c(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnn1-c1nonc1N	2220192	NQVIHMRBEXFBQG-KPSZGOFPSA-N	424.252	1.365	50	40	HDGB	
COc1cccc(CN(C)CC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)c1	16558406	ISCFSRPRCMNFQR-UHFFFAOYSA-N	417.462	1.614	50	40	HDGB	
O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@@H]2CO[C@@H]1O2)c1ccccc1[N+](=O)[O-]	101292751	PBTBUMVHRXPUBB-XTZDDWJHSA-N	402.323	1.172	50	40	HDGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1cccc([N+](=O)[O-])c1	408676659	BCKLHJGFFSTHST-ORIIPUBOSA-N	424.203	1.892	50	40	HDGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C(C)C)cc1	2373878	LTHOBHBIBQCXBN-SRZZPIQSSA-N	411.470	1.966	50	40	HDGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@H]1C(=O)NC[C@H]1c1ccccc1	4721364	VOGDWNFGMAKPSN-ATRRSMNPSA-N	403.442	1.866	50	40	HDGB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)NNC(=S)NC[C@@H]1CCCO1	6424160	FUTIEQCXEJOSBL-JTQLQIEISA-N	401.414	1.729	50	40	HDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1	13006600	YZPALXPSFAHBHH-UHFFFAOYSA-N	416.459	1.609	50	40	HDGB	
NC(=O)N[C@H](Cc1ccccc1)C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1	13134349	GFBNBJXQUAAFPV-OAHLLOKOSA-N	424.379	1.511	50	40	HDGB	
O=C(NNC(=O)c1ccc2c(c1)CCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1	40068962	UFPGVHGUPOCYIL-UHFFFAOYSA-N	415.471	1.481	50	40	HDGB	
COCCNC(=S)NNC(=O)c1cc2cc(Br)cc(OC)c2o1	408588824	ZGWSQGAMPJAAMV-UHFFFAOYSA-N	402.270	1.959	50	40	HDGB	
COc1c([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc2c(c1OC)OCO2	15109942	JBMWJRPVJKAFLP-CYBMUJFWSA-N	400.343	1.096	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccc(Cl)cc1	52412276	AUJGLQRBRMDUQU-CQSZACIVSA-N	415.833	1.697	50	40	HDGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2	101316533	LOLHHKAKNUABRU-RKNYDZFMSA-N	402.881	1.251	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)c2ccco2)ccc1OCC(=O)N1CCOCC1	409020903	VKHDGLMKUZSMQO-BKUYFWCQSA-N	401.419	1.680	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c(OC)c1	409124500	AOXQRCKNXPSYKP-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1	8036618	FQTWXZPQGVJKJM-KRWDZBQOSA-N	409.442	1.661	50	40	HDGB	
O=C(N/N=C\C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C\c1ccccc1	17315572	LIXQPTNMBCCLLW-ZDSCAMNMSA-N	406.442	1.339	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2nn(C)cc2I)c1OC	2322299	PAGSQJSVDMELEM-FRKPEAEDSA-N	414.203	1.806	50	40	HDGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccco2)ccc1OC(=O)c1ccco1	3079782	YDDPERUBYUFWDN-SSDVNMTOSA-N	411.370	1.981	50	40	HDGB	
Cc1cc(OCC(=O)NNC(=O)Cn2c(=O)n(C)c3ccccc32)ccc1Cl	12752771	ZHZSPOWFHABOPB-UHFFFAOYSA-N	402.838	1.528	50	40	HDGB	
Cn1nc(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2c1=O	7379961	NSCYZGRBQPPOEL-UHFFFAOYSA-N	408.439	1.710	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc(C(=O)O)cc1	8993106	SBPSNWSRLWTKLY-CIKBWMHTSA-N	415.427	1.077	50	40	HDGB	
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NNC(=O)c2cc3c(s2)CCC3)c1	17445146	GCGSHYIGQZIYDM-UHFFFAOYSA-N	421.544	1.983	50	40	HDGB	
COC(=O)C1=C2S[C@@H](C)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	2408861	LHQHQGKTYYRGPV-XPTSAGLGSA-N	401.444	1.843	50	40	HDGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)c(C)c1	20208189	DPZDQKYYBUZRSD-CIAFOILYSA-N	417.487	1.991	50	40	HDGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1	27018471	NAWWTYBDIYHQJP-KMPOOHAWSA-N	414.439	1.943	50	40	HDGB	
CN(C)CCN1C[C@@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)CC1=O	78808969	YKCJXHRJAVZFOC-SFHVURJKSA-N	424.501	1.290	50	40	HDGB	
Cc1cc(C)cc(N(CC(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)c1	408778603	IGXOLQNJFLSCET-RGVLZGJSSA-N	403.460	1.918	50	40	HDGB	
C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccccc2OC)c2ccccc21	6095017	QJROVZYOORPGAE-GFLNRVGBSA-N	416.437	1.325	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(O)cc1	20464042	MZJMYEFBWIKCHQ-DJKKODMXSA-N	410.419	1.821	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)CC1	58175153	KECJJECNUNNVKD-UHFFFAOYSA-N	417.329	1.413	50	40	HDGB	
Cc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)sc2ncnc(N)c12	408973212	KLXKTMNMFAAKHJ-RMOCHZDMSA-N	417.363	1.868	50	40	HDGB	
C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)NNC(=O)Cc1ccccc1)C2=O	8921151	ARJZEJDHXDGJHD-QKKBWIMNSA-N	400.479	1.513	50	40	HDGB	
O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/NNC(=O)c1ccccc1O	9439136	CCODXXRQIRWPSF-UKTHLTGXSA-N	416.846	1.612	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1OC	10239513	RTAJBXLTBPMTJK-UHFFFAOYSA-N	416.386	1.093	50	40	HDGB	
CC(C)OC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccco1	33918664	IAMGFXQPRZCCET-LRQZKABGSA-N	423.450	1.475	50	40	HDGB	
C[C@@H](C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1)n1ccnc1	40144860	BLKNAUVKVZZSDI-HNNXBMFYSA-N	416.445	1.607	50	40	HDGB	
COc1ccc(C2=NO[C@@H]3[C@H]4CO[C@@H](O4)/C(=N\NC(=O)Cc4ccccc4)[C@H]23)cc1	108545724	VURJCWQVFAALEG-AWOFISFJSA-N	407.426	1.884	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/C=C\c3ccco3)CC2)cc1	12465258	HLWVEZQNANGKRE-KKCHKTGQSA-N	416.503	1.710	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	39986612	MIAODMDZDAOGCL-ODLFYWEKSA-N	420.447	1.683	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1	408908647	XCSSLTVYCHXGHA-ZXOFLVKFSA-N	403.460	1.917	50	40	HDGB	
CC(C)=NNC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O	409027888	FXRTXUDFFQBAKK-UHFFFAOYSA-N	409.249	1.569	50	40	HDGB	
NNC(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2ccc(Br)cc21)c1ccccc1	5808988	QCNYSNQEILUJLA-CPEHUTGBSA-N	418.251	1.556	50	40	HDGB	
COc1ccc(CCN2/C(=N/C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	6658454	CRRHYZXENZAUKK-AYGAQVIVSA-N	402.925	1.574	50	40	HDGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)[C@@H](Br)C2=O	13133135	FIGCLBPFTABCJB-VHSSKADRSA-N	401.345	1.984	50	40	HDGB	
CCc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)cc1	409268825	BAONXBJZRYVOEW-YDZHTSKRSA-N	408.458	1.995	50	40	HDGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409376913	BUWINJYPZLSSSG-UVUXSLJKSA-N	415.446	1.477	50	40	HDGB	
CN(CC(=O)N/N=C/c1ccco1)S(=O)(=O)c1ccc(Br)cc1	4551715	VUOGRWYUVMFRFQ-CXUHLZMHSA-N	400.254	1.813	50	40	HDGB	
COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(O)c(Br)c2)cc1	9304667	QYQMYOSJRMNNLH-UFFVCSGVSA-N	420.263	1.972	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1OC	33437099	YPTOCAGDDXUQIF-STZFKDTASA-N	419.503	1.658	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)nnn1-c1nonc1N	1896684	RCVRGGCEGYCTNS-CNHKJKLMSA-N	419.789	1.511	50	40	HDGB	
COc1cc(OC)cc(C(=O)NN[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)c1	18271476	ICOGJMBEGVJVOT-MRXNPFEDSA-N	403.822	1.924	50	40	HDGB	
CCc1sc(C(=O)NNC(=O)CN2CCN(c3ccccc3O)CC2)cc1C	32824408	FVZDCYYFEGAEMH-UHFFFAOYSA-N	402.520	1.908	50	40	HDGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)N3CCCCC3)c(N3CCN(C)CC3)nc12	2202974	ORTKCDNRMHWDJT-OBGWFSINSA-N	420.517	1.674	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(OC)c1OC	3009295	FEUUKHARIHALQO-LSHDLFTRSA-N	415.402	1.208	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)ccc21	102288956	YOBNLVQESAHJEF-HUUCEWRRSA-N	409.446	1.077	50	40	HDGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)NC(=O)C(C)(C)O3)cc1	4933471	DGYIBJXPEXODGL-UHFFFAOYSA-N	405.432	1.428	50	40	HDGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C1\C(=O)Nc2ccccc21	6062556	VQIHIFYKEXETTP-UHFFFAOYSA-N	401.220	1.652	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1OC(=O)N(C)C	13110851	SRPXLORCXWQEQF-UFWORHAWSA-N	404.383	1.319	50	40	HDGB	
CCn1c(=O)c(C)nc2cc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)ccc21	26976295	RHCUWHIDDPVOEO-GOSISDBHSA-N	408.414	1.326	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	408908571	WIOSFRJRBURDPJ-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1	16186930	HKLOIKZKQQTHJJ-RGVLZGJSSA-N	423.878	1.897	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	408921310	GBOADASDUOFVHE-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)cc1OC	14185845	NEQFYMUGXMKEHH-QGZVFWFLSA-N	411.458	1.822	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)c1	408781375	CQVZWUMKLHGNNF-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1Cn1cnc([N+](=O)[O-])n1	5358767	ZCIJYZWIMAQWQX-HNNXBMFYSA-N	408.378	1.493	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1	1408164	JNOMOOUFHMHADY-SSDVNMTOSA-N	404.434	1.885	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)cc(OC)c1OC	4851053	AFLKMZUHYQJRGU-KRWDZBQOSA-N	413.430	1.393	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1COc2ccccc2O1	13021697	RIIYZGOUOIXBKY-BEFAXECRSA-N	424.457	1.918	50	40	HDGB	
COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)cc1	30834238	WUTFWPDLWLAECR-CFRMEGHHSA-N	415.409	1.963	50	40	HDGB	
CC(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c2ccccc21	217512504	FCYNOZASMBGRLI-ZDRSUCNCSA-N	405.458	1.112	50	40	HDGB	
O=C(COC(=O)c1ccccc1[N+](=O)[O-])NNC(=O)c1ccc(Br)cc1	408643826	CGTVQDUDERMJMK-UHFFFAOYSA-N	422.191	1.975	50	40	HDGB	
COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccccc32)cc1	20160027	UDDWKOPIFSSOPY-LSOXJFKFSA-N	423.473	1.822	50	40	HDGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)c1	409011271	GUCKSUQRVFRQKE-HZHRSRAPSA-N	410.474	1.754	50	40	HDGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nnc1N1CCOCC1	17877637	MEJYBTSZMLBRTH-UHFFFAOYSA-N	424.914	1.341	50	40	HDGB	
COc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC	100958935	MSCKASQQZSGPBY-VLHYRRCOSA-N	416.455	1.483	50	40	HDGB	
Cc1c(Cl)cccc1N1C(=O)C[C@@H](NNC(=O)c2ccc3c(c2)OCO3)C1=O	102240272	UUJVJRVIZVOPSX-CYBMUJFWSA-N	401.806	1.944	50	40	HDGB	
COc1cc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)ccc1O	4524872	LBHFIAPZFVKXEA-YDZHTSKRSA-N	415.446	1.617	50	40	HDGB	
O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1ccc(COc2ccc(F)cc2)o1	21959438	QUBMPKHAIDOPLF-GFCCVEGCSA-N	410.423	1.584	50	40	HDGB	
NC(=O)COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	409268982	CISJJGKLZUBDRR-UWVJOHFNSA-N	421.207	1.985	50	40	HDGB	
O=C(CCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1)N/N=C/c1ccc([N+](=O)[O-])o1	2753056	COBZZKIKRBOGJE-GONBZBRSSA-N	406.311	1.460	50	40	HDGB	
COc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	101322288	RTOZDALXZCTOGM-JMUWXNPOSA-N	424.247	1.748	50	40	HDGB	
O=C(Cn1cncn1)N/N=C/c1cc(Br)cc(Br)c1O	2318802	IANODUWFLQNNMR-CRKCGEKBSA-N	403.034	1.659	50	40	HDGB	
Cc1cc(C)n2nc(CC(=O)NNC(=O)COc3ccc4ccccc4c3)nc2n1	5451797	ZXJADCKCVCHYIC-UHFFFAOYSA-N	404.430	1.663	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCO1)c1cccc(S(=O)(=O)NCc2ccccc2)c1	10219027	BFVBEQHWCHMHHZ-QGZVFWFLSA-N	403.460	1.105	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@@]2(C)[C@H]3CC[C@]2(C)C(=O)[C@@H]3Br)CC1	33402434	FYPXPXUQTCUDRK-XNISGKROSA-N	407.374	1.723	50	40	HDGB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccc(B(O)O)o2)n1	585294434	RHKINEKLNKQARW-LJQANCHMSA-N	418.266	1.795	50	40	HDGB	
O=C(COC(=O)c1ccc(Br)cc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	2655457	YJPUPXASGSGBSI-UHFFFAOYSA-N	422.191	1.975	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc2c(c1)OCCO2	9423160	MYGSKBXOXXYKQT-JXAWBTAJSA-N	424.457	1.295	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1	20060378	MPEAAPPLHMBDQH-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)N/N=C\c2ccc(Cl)cc2)cc1	32923353	WJGZLKRBIMKLHV-FBHDLOMBSA-N	422.894	1.193	50	40	HDGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)Cn1c(=O)cnc2ccccc21	32971607	OQHMUJYMAFSJCG-UHFFFAOYSA-N	400.822	1.585	50	40	HDGB	
CC(C)[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	100550275	UHELJJROQHDVDG-SQRAACSSSA-N	423.101	1.874	50	40	HDGB	
COCCOCC(=O)OCCOCC(=O)Oc1ccc([N+](=O)[O-])c2cccnc12	2060989636	XIXJRURPHGYPRQ-UHFFFAOYSA-N	408.363	1.271	50	40	HDGB	
CCOc1ccccc1C(=O)NCC(=O)NNC(=O)COc1ccccc1Cl	5273002	JXCHYJAXPYMYMN-UHFFFAOYSA-N	405.838	1.695	50	40	HDGB	
O=C(CCC(=O)NNC(=S)NC(=O)c1ccc(F)cc1)NCc1ccccc1	6590520	KGPRILCREMKNPO-UHFFFAOYSA-N	402.451	1.558	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1-c1cccs1	9307690	KWPHHOXXXFUACV-FBCYGCLPSA-N	424.402	1.454	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NNC(=O)Cc1ccccc1	14242251	DKEUXEASAQMGLR-UHFFFAOYSA-N	415.515	1.624	50	40	HDGB	
O=[P@@]1(N(CCCl)CCCl)N[C@@H](SCCS(=O)(=O)O)CCO1	26160335	PBUUPFTVAPUWDE-UGZDLDLSSA-N	401.274	1.831	50	40	HDGB	investigational
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCC(N)=O	33305908	XPSYSXJOBZLCSA-NHDPSOOVSA-N	400.391	1.550	50	40	HDGB	
CC(C)NC(=O)C(=O)NNC(=O)C1(c2ccc(Cl)cc2Cl)CCOCC1	65769755	JSVKECKNFMGYAP-UHFFFAOYSA-N	402.278	1.714	50	40	HDGB	
CC1(C)OC[C@@H]2O[C@]3(CO)N[P@](=O)(N(CCCl)CCCl)O[C@@H]3[C@H]2O1	301054458	RAVBQBANJNGDDK-OBQXHJHWSA-N	405.215	1.101	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	409026567	SFCJTZQKVKSKEH-LICLKQGHSA-N	421.391	1.419	50	40	HDGB	
CCOC(=O)c1c2ccc(OCC(=O)NNC(=S)NC)cc2n2ccccc12	4053420	FSDZZQVFNYJMQN-UHFFFAOYSA-N	400.460	1.773	50	40	HDGB	
O=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1	6561077	ZICXKPYPEJNVNQ-UHFFFAOYSA-N	405.457	1.894	50	40	HDGB	
COC(=O)CSC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OC)C(=O)N1	9109047	SYDMTBUTJSQBKL-KBPBESRZSA-N	405.388	1.239	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1	9912472	HSFIKHOBASGIAU-UHFFFAOYSA-N	411.867	1.674	50	40	HDGB	
CCCn1nc(C(=O)NNC(=O)Cc2nc3ccccc3n2C)c2ccccc2c1=O	12540041	NNJUHNSXFINZFA-UHFFFAOYSA-N	418.457	1.697	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(I)cc1)c1ccccc1	44266875	FLAIJGYCIIZEQF-UHFFFAOYSA-N	402.213	1.915	50	40	HDGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)N1CCOCC1	409020310	NUQXNWWZPPAWOI-HAHDFKILSA-N	411.458	1.626	50	40	HDGB	
CNC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1cccc(F)c1	3770421	UVBCSVSWYOGDAH-GXTWGEPZSA-N	416.434	1.081	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cccc(C)c1	6960847	KMCVXYVSRRSBPE-FSJBWODESA-N	412.446	1.607	50	40	HDGB	
CCOc1ccc(OCCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)cc1	12973675	MBKKUTQORQMKQQ-UHFFFAOYSA-N	410.430	1.562	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCN1CCOCC1	19851550	PNAAEKILXMTODA-LJQANCHMSA-N	411.462	1.656	50	40	HDGB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN/C(C)=C1\C(=O)C=C(C)OC1=O	227173184	QMDVFMBXUBBKML-DAQNXSASSA-N	410.430	1.140	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CC#N)cc1CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O	1321690	UEDDVLRDGRLRAV-SUXIDYTISA-N	419.485	1.840	50	40	HDGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCN(c4ccccc4)CC3)nc12	2203051	VLUBMMCLXXQURW-SAPNQHFASA-N	414.469	1.722	50	40	HDGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)NNC(=O)c1ccccc1	8039945	FCHZUOJKXYJKIL-CQSZACIVSA-N	415.833	1.697	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(O)cc2)cc1	39986583	SBLYADJNDWTBOS-ODLFYWEKSA-N	404.448	1.121	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	108445767	RUMHMGLPVFQTET-BHGWPJFGSA-N	402.410	1.814	50	40	HDGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(=O)OC)cc2)[C@H](C(=O)OC)C(=O)N1	409321124	RSVGHXPLEJAECD-CABCVRRESA-N	418.427	1.117	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc(Br)c1O	9042033	IIPRIFAHUGITAY-CNHKJKLMSA-N	419.239	1.982	50	40	HDGB	
C[C@H]1Oc2ccccc2N(CCC(=O)NNC(=S)NCCc2ccccc2)C1=O	16232554	MULGRAKJOHGZSZ-OAHLLOKOSA-N	412.515	1.929	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCc2cccnc2)cc1	58873275	IQSSRJJIVUXCHW-CFRMEGHHSA-N	411.462	1.142	50	40	HDGB	
COc1cc(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)ccc1OCC(N)=O	4544339	HMAABUKBCGVAAJ-WYMPLXKRSA-N	411.458	1.967	50	40	HDGB	
COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(CCCC#N)c2ccccc21	5896167	XOLJHAVNLIKYRC-QOMWVZHYSA-N	419.441	1.596	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1	6610111	YEEZMILXONSDDR-FOKLQQMPSA-N	412.446	1.526	50	40	HDGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(F)cc1	408684544	NSVFJUNDNZXACV-NCPBCQDQSA-N	412.211	1.878	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccc(F)c(F)c1	8990529	KIDMJBBOJLSHFM-VBKFSLOCSA-N	402.401	1.802	50	40	HDGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c(OC)c2c1OCO2	15106061	CGTONIUUYIZXLQ-CYBMUJFWSA-N	400.343	1.096	50	40	HDGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)c1	26901388	VTTIRHJCSFJDLC-CYBMUJFWSA-N	401.419	1.610	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2cnccn2)cc(I)c1OC	28616265	NOZJPZOKEYOYFB-WSVATBPTSA-N	412.187	1.862	50	40	HDGB	
CC(=O)N/N=C1\C(=O)N(CN2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)c2ccccc21	100785497	FCYNOZASMBGRLI-QAXBLZQQSA-N	405.458	1.112	50	40	HDGB	
COc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21	101041807	XQQHTERWQUDQKL-FLFQWRMESA-N	408.458	1.994	50	40	HDGB	
N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3cccc(B(O)O)c3)n2)cn1	585294273	PEPGTGVFHCXUBC-FQEVSTJZSA-N	400.251	1.504	50	40	HDGB	
NC(=O)[C@@H]1CC(C(=O)NNC(=O)c2ccccc2Cl)=NN1c1ccc(F)cc1	12920703	MMAZERKBCCNSOG-HNNXBMFYSA-N	403.801	1.360	50	40	HDGB	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	32977758	RMOOLWGXHXUCJC-APWZRJJASA-N	413.499	1.892	50	40	HDGB	
CN1CCC(=NNC(=O)CN(c2ccc3c4c(cccc24)CC3)S(C)(=O)=O)CC1	58986201	XXLOGYOSUJMSQE-UHFFFAOYSA-N	414.531	1.902	50	40	HDGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	100037601	ULSLNHVBQHDMIS-UHFFFAOYSA-N	420.250	1.394	50	40	HDGB	
O=c1n(Cc2ccccc2)c(=O)n2n1[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	254592730	JNSLTQBHEOJKMD-BJDJZHNGSA-N	415.085	1.886	50	40	HDGB	
C#CCN1C(=O)/C(=N\NC(=O)CNC(=O)/C=C/c2ccc(OC)cc2)c2ccccc21	6090449	BETZQFWUAAIXIG-VDGHJGSRSA-N	416.437	1.325	50	40	HDGB	
CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NC2CCCCC2)CC1	5022080	MTTPAQRZAVDOQE-BMRADRMJSA-N	420.517	1.802	50	40	HDGB	
O=C(CCC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccccc1	9724367	CWFFASOUPJBBDI-UHFFFAOYSA-N	406.420	1.001	50	40	HDGB	
CC(=O)N[C@H](C(=O)NNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(C)C	12816303	ODQRLPZYTJMTNF-SFHVURJKSA-N	420.473	1.856	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C2/C(=O)Nc3ccccc32)S(C)(=O)=O)cc1	16161608	RIFOPTSEGHWIRV-UHFFFAOYSA-N	400.460	1.488	50	40	HDGB	
C/C(=N\NC(=O)CN(c1ccccc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20207268	KITRYCUEROJYBF-XSFVSMFZSA-N	403.460	1.764	50	40	HDGB	
COc1ccc(CCN2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1	101302912	CRRHYZXENZAUKK-KRGDBVFUSA-N	402.925	1.574	50	40	HDGB	
CCOC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OCC)c2ccccc21	2263122	CUOJQZVWZRYMBP-OAQYLSRUSA-N	411.414	1.395	50	40	HDGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)cc1	19953553	SQCYYDLFFNZYOI-HMHKGCENSA-N	421.475	1.714	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2)c1CN1CCCC1	8826710	RZZSZKFWQVIABT-AWQFTUOYSA-N	415.845	1.246	50	40	HDGB	
O=C(CN1CCN(Cc2ccc(Cl)cc2)CC1)N/N=C1\C(=O)Nc2ccccc21	19861409	PEFFQFDHNWXDMJ-UHFFFAOYSA-N	411.893	1.930	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1	20060321	CVSQCWGGAJTQFR-UDWIEESQSA-N	403.460	1.698	50	40	HDGB	
COc1ccc([C@H]2C(C#N)(C#N)[C@]2(C#N)C(=C(C#N)C#N)N2CCOCC2)cc1OC	35325210	PONNIQASMXQXBU-UGKGYDQZSA-N	414.425	1.978	50	40	HDGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)[C@@H]1COc2ccccc2O1	58918716	HHLAXYHIGJGQFI-CIPMJJFUSA-N	412.402	1.722	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	6430244	LPTNGMXDULNIOZ-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
CSCC[C@@H](NC(N)=O)C(=O)NNC(=O)c1ccc(COc2ccccc2)cc1	6509507	XNWBGQOBUKRKBX-QGZVFWFLSA-N	416.503	1.817	50	40	HDGB	
CCOc1cc(C(=O)NNC(=O)CN2CSCC2=O)cc(OCC)c1OCC	8141121	ABWBITYERDFULQ-UHFFFAOYSA-N	411.480	1.177	50	40	HDGB	
CCOc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	12424363	BEGSUTUVLOUQKD-UHFFFAOYSA-N	417.374	1.377	50	40	HDGB	
O=C(CN1CCN(c2ccccn2)CC1)NNC(=O)c1ccc(Br)cc1	15910496	XTCMJWDOBLJLLK-UHFFFAOYSA-N	418.295	1.427	50	40	HDGB	
COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	8042718	LZCLHBNELDNTLM-VXLYETTFSA-N	411.867	1.825	50	40	HDGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]1C(=O)OC	9110654	MPBCWKKUIHHAEZ-JKSUJKDBSA-N	404.444	1.729	50	40	HDGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	19953632	HDVQTDIMVZUNDS-KZKLBEMASA-N	420.447	1.908	50	40	HDGB	
CC(C)C[C@@H](C(=O)N([C@@H]1CCS(=O)(=O)C1)N(C)C)N1C(=O)c2ccccc2C1=O	25042763	BLOAUZVIYMCOSN-PBHICJAKSA-N	421.519	1.190	50	40	HDGB	
COc1cccc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1OC	105618184	IBIPMKWZBPUSDI-YVNNLAQVSA-N	421.417	1.836	50	40	HDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OCC(N)=O	8768100	DLFADEVQGRCVDG-SFHVURJKSA-N	419.393	1.884	50	40	HDGB	
CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NN(C)c3ccccc3)cc2)CC1	15133370	BPXUVTUONUWDGX-UHFFFAOYSA-N	416.503	1.321	50	40	HDGB	
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@H]1COc2ccccc2O1	15795540	KMBPAUPRNAIKEY-MRXNPFEDSA-N	424.862	1.491	50	40	HDGB	
O=C(NN[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1=O)c1ccc2c(c1)OCO2	102228943	XXCDXMJXDRJIHL-AWEZNQCLSA-N	401.806	1.631	50	40	HDGB	
Cc1ccc2[nH]c(C(=O)NNC(=O)COCC(=O)NCc3ccc(F)cc3)cc2c1	199422936	AIZFFOAXFPYKOS-UHFFFAOYSA-N	412.421	1.709	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc([N+](=O)[O-])cc1	408529673	CVIZAODZMOXIHL-UQVDVNIASA-N	413.390	1.194	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)ccc1O	408924665	LETSJMXDCCMVBR-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@H]1c1ccccc1	409124207	AHYRPRGOJBXNAD-SJORKVTESA-N	415.471	1.016	50	40	HDGB	
CCN(CC)Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnn1-c1nonc1N	2325060	BKHDDMSJKTXQPJ-AWQFTUOYSA-N	417.861	1.492	50	40	HDGB	
CCOC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1	20026638	YZPCEOPIXVAQGE-KRWDZBQOSA-N	415.471	1.951	50	40	HDGB	
O=C(COC(=O)CCCOc1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	4317433	HRQZAWOLWYDDFV-UHFFFAOYSA-N	401.375	1.758	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(C(=O)O)cc2)cc1C	39986640	JASRHBDSKXBTDO-JAIQZWGSSA-N	419.459	1.473	50	40	HDGB	
CC1=C(C#N)C(=O)N(CC(=O)O)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1O	3086465	OYNQHROMOMQUOF-NVNXTCNLSA-N	406.398	1.872	50	40	HDGB	
COc1ccc(/C(C)=N/NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c(OC)c1	4826947	FBKZWAXAPYTRPE-QMFLXTPQSA-N	413.430	1.500	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)N1CCCC1	6960729	VZANDGCOIPXEDW-CIAFOILYSA-N	404.467	1.061	50	40	HDGB	
Cc1ccc(NC(=O)CN2CCN(CC(=O)NNC(=O)c3cccc(C)c3)CC2)cc1	32818804	XWMQSZSXUDXWEH-UHFFFAOYSA-N	423.517	1.321	50	40	HDGB	
CC(C)CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	58873352	SMYVUCPMDLRCPG-FOKLQQMPSA-N	400.435	1.197	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)NCc1ccccc1	58874020	JANKNUHWXVUYLH-BUVRLJJBSA-N	408.458	1.454	50	40	HDGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	58881024	ZMITTWGKQQEXDW-SSDVNMTOSA-N	400.410	1.818	50	40	HDGB	
NC(=O)COc1ccc(Br)cc1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	409265604	UBPDIPYKPKFXMV-UWVJOHFNSA-N	421.207	1.985	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)c1	4079663	QRECGJVPFMJNDO-SSDVNMTOSA-N	401.419	1.601	50	40	HDGB	
COc1cccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1	102676009	VTAYKEYTTWWQTM-NGWPFTMJSA-N	401.444	1.387	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1	6430345	KEGQNBJFAPVEIZ-FSJBWODESA-N	400.410	1.820	50	40	HDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@@H]2C(=O)NC[C@@H]2c2ccccc2)c1O	15938643	TZUQEIZOYUJMOX-YXUGUPNVSA-N	412.402	1.679	50	40	HDGB	
COc1ccccc1-n1c(C)nnc1SCC(=O)OCC(=O)/C(C#N)=C(/C)N	104800859	FSZOMBKNMMWDMA-QBFSEMIESA-N	401.448	1.545	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1	409138671	GHERFHUXKUZMNW-RGVLZGJSSA-N	407.423	1.667	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(SC)cc2)cc1OC	409140003	HEJVSUAEROFUQM-YBFXNURJSA-N	423.516	1.854	50	40	HDGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCOCC3)=C2C#N)cc1	6441034	VVQBQIFHDGJIQJ-HNNXBMFYSA-N	415.471	1.404	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	15899689	PCIFCVSBLZZYFL-JDYBYSMLSA-N	414.374	1.010	50	40	HDGB	
COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(Cl)cc3)C2=O)cc1	408535548	OCHKBHXCLIZYQX-SBUZPKSBSA-N	414.805	1.963	50	40	HDGB	
O=C(Cc1nnc(NC(=O)C(Cl)Cl)s1)N/N=C/c1ccc(O)c(O)c1	408730520	HEUNOCJEHXYZOA-FZSIALSZSA-N	404.235	1.384	50	40	HDGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1	409007632	PYIIVXZDPXOAFP-KEBDBYFISA-N	401.375	1.125	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1	409029244	XJLQVPJLHBOPHW-GIJQJNRQSA-N	420.403	1.240	50	40	HDGB	
COc1cc(C(=O)NNC(=O)/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC	3352528	CKLPDRHIVZROAP-FNORWQNLSA-N	400.387	1.916	50	40	HDGB	
COc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC	7785419	ZLIIIUYJNPDUKC-YDZHTSKRSA-N	415.446	1.530	50	40	HDGB	
CN(CC(=O)NNC(=O)Cc1ccccc1)S(=O)(=O)c1ccc2ccccc2c1	16595517	RQGICZCMYVPJEG-UHFFFAOYSA-N	411.483	1.850	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc2c(c1)OCO2	33737262	NONXYNQEPCSYEK-JMIUGGIZSA-N	419.459	1.503	50	40	HDGB	
CCCNC(=O)CN1CCN(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1	35292662	KAXNYUXALZCJBU-AWEZNQCLSA-N	421.567	1.371	50	40	HDGB	
CC(C)NS(=O)(=O)c1ccc(NNC(=O)NCCc2cc(F)cc(F)c2)nc1	58167642	GERHYPBUFVWVHA-UHFFFAOYSA-N	413.450	1.915	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(O)c(OC)c1)S(C)(=O)=O	408786866	OTFAYNDWJUWTBR-UDWIEESQSA-N	405.476	1.880	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	1306620	NPFGWAYRIXMPAY-OFGUMHRGSA-N	422.441	1.220	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)ccc1O	6354925	QOCBAUKPOGBJIP-RGVLZGJSSA-N	409.439	1.701	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	6497026	HDIHEONBTOJLIK-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)c(OC)c1	408784004	QGEULKKZCRHLMK-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1	409157068	VIVCGGOXMUUWQS-BUVRLJJBSA-N	408.458	1.454	50	40	HDGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	38180840	YNYVKFONMGQWEN-DNTJNYDQSA-N	422.361	1.433	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(I)c1O	59488253	VWYPGYDHUHJETD-FRKPEAEDSA-N	419.219	1.370	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CC#N)cc1CN1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2	104711683	UEDDVLRDGRLRAV-FFTFBOGBSA-N	419.485	1.840	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	409027764	GZLUBKQYBORYBM-RGVLZGJSSA-N	403.460	1.894	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c2ccccc2c1=O	12821728	UHKUGZIPCPOHET-MRXNPFEDSA-N	422.441	1.566	50	40	HDGB	
CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)C(=O)NC1CCCCC1	100523056	NANWHRCLWCEMDR-ZMOGYAJESA-N	401.467	1.915	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/C1=Cc2ccccc2OC1	100958991	FGURFCAZBMEGHH-BRMCRPDNSA-N	410.451	1.785	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)c(OC)c1	408777520	BEWDDEXPAFNKEE-DEDYPNTBSA-N	421.475	1.716	50	40	HDGB	
COc1cccc(CC(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)c1	6507257	CIPLPNLCIDSGEE-UHFFFAOYSA-N	405.476	1.014	50	40	HDGB	
CCOC(=O)N1CCN(C(=O)CSC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)CC1	6654290	BPYGFVJZORCWFS-LBPRGKRZSA-N	405.480	1.051	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)n1	12936262	XJFGZAMKHIFTAT-OAHLLOKOSA-N	403.870	1.349	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)c1	20211230	PQYJRTLVLMBKJT-VCHYOVAHSA-N	411.505	1.990	50	40	HDGB	
C[C@@]12S/C(=N/[C@@H]3CCS(=O)(=O)C3)S[C@H]1CS(=O)(=O)[C@@H]2Br	35074917	QVZDWBIUSADKMV-KLZNVNBCSA-N	420.397	1.286	50	40	HDGB	
O=C(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)NNC(=O)COc1ccccc1Cl	102837324	GXMBTVZPYWXEBA-BETUJISGSA-N	405.838	1.208	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2NC(=O)NNC(=O)c2ccncc2)cc1	1467680	DSSLTCUBUCUSBX-INIZCTEOSA-N	403.464	1.145	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C\Nc1ccc2c(c1)OCO2	9423554	YDBJSOPWQVOUCJ-ATVHPVEESA-N	422.441	1.932	50	40	HDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	100929828	RNZYKRPJCFIBEA-ATVHPVEESA-N	400.460	1.653	50	40	HDGB	
O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)[C@@H]1COc2ccccc2O1	3294154	PGFFWBCUTZGMMR-KRWDZBQOSA-N	409.398	1.050	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc3ccccc3o2)cc1	6508940	FQGKDRXJJSJOFZ-UHFFFAOYSA-N	401.444	1.823	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)[C@H]3CC=CCC3)CC2)cc1	12735597	NDJTUDZDQPDDSD-INIZCTEOSA-N	405.520	1.899	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2sccc2C)cc1	16363146	FSPYKUAUUUDDHL-VCHYOVAHSA-N	408.505	1.786	50	40	HDGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(C(=O)O)cc2)CC1	5798518	OCBMQOAVOBZWLD-HYARGMPZSA-N	410.430	1.192	50	40	HDGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)CCN2[C@@H](C)CCC[C@H]2C)cc1	6350501	VVCPVFKNFLGJNF-GASCZTMLSA-N	411.524	1.826	50	40	HDGB	
O=C(N/N=C1\C=C/C(=N\O)c2nn(C(=O)c3ccc(O)cc3)nc21)c1ccc(O)cc1	9329024	SDXPVPYXZHLQQX-UPXQHGRYSA-N	418.369	1.260	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1	14246933	OTNHYSVIANPXLM-UHFFFAOYSA-N	407.810	1.296	50	40	HDGB	
O=C(COC(=O)c1ccccc1I)NNC(=O)c1ccccc1	3290795	LDRCEMNZWKDXLJ-UHFFFAOYSA-N	424.194	1.909	50	40	HDGB	
C/C(CC(=O)NCCCN1CCOCC1)=N\NC(=O)COc1ccc(Cl)cc1	4691376	NQQLYQPXJPMOKQ-PXLXIMEGSA-N	410.902	1.440	50	40	HDGB	
Cc1cc2c(c(=O)n1CCCN1CCOCC1)[C@H](c1cccnc1)C(C#N)=C(N)O2	12971049	XLTILEMAYCZOPR-LJQANCHMSA-N	407.474	1.492	50	40	HDGB	
COc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	59500169	BQSGOVFWBHPQCT-FYJGNVAPSA-N	414.418	1.969	50	40	HDGB	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21	5202840	YHHITKDZSYYXGV-FLFQWRMESA-N	408.458	1.531	50	40	HDGB	
O=C(NNC(=O)c1ccccn1)c1cccc(S(=O)(=O)NCc2cccnc2)c1	5701446	ZJMDHMCDVHVYEL-UHFFFAOYSA-N	411.443	1.030	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1	409115251	LARKOSIVNJQOGO-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
CCCn1nc(C(=O)NNS(=O)(=O)c2ccccc2F)c2ccccc2c1=O	7380650	XMZNJPMNIUYLPA-UHFFFAOYSA-N	404.423	1.569	50	40	HDGB	
CCCCCCC(=O)NN/C=C1\C(=O)NC(=S)N(c2cccc(OC)c2)C1=O	9318701	PTMIDPAJTLPXRV-NTCAYCPXSA-N	404.492	1.918	50	40	HDGB	
CN1N=C(C(=O)NNC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)CCC1=O	16225931	LGZISCHYWLYPMA-UHFFFAOYSA-N	405.414	1.360	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1ccc(N(C)C)cc1	33738188	XWNYZPIAZHMFLA-BKUYFWCQSA-N	418.519	1.840	50	40	HDGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1	6595740	MPXARRVOSXTNAB-HZPDHXFCSA-N	405.451	1.842	50	40	HDGB	
Cc1cc2c(c(=O)n1Cc1cccnc1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	8036221	XYFILUCFSAJKQI-QHCPKHFHSA-N	411.421	1.925	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/[C@@H]3CC=CCC3)nnn2-c2nonc2N)c1	9235004	NVHCRGBEQNNREV-KIHMUJGBSA-N	408.422	1.980	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	6319870	MSVCJIMZGVZWOB-DEDYPNTBSA-N	404.492	1.532	50	40	HDGB	
N#CCC(=O)Nc1ccc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1	9318704	LVVWUTKZESAJAM-UHFFFAOYSA-N	406.377	1.938	50	40	HDGB	
O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)c1ccccc1-n1cccc1	9883403	PHPQFJOVOJLILD-UHFFFAOYSA-N	418.500	1.668	50	40	HDGB	
O=C(Cc1ccccc1)NNC(=O)CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O	16595502	GEKAQJFJPNBNDN-JOCHJYFZSA-N	406.442	1.160	50	40	HDGB	
CCc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1	6208127	HJBIENSJFQJVKO-MRXNPFEDSA-N	409.442	1.834	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2)C1)NNC(=O)c1ccccc1Cl	7940117	MXGLHVUCUAFICG-ZDUSSCGKSA-N	415.833	1.697	50	40	HDGB	
CCc1ccc(-c2nc(C(=O)NNC(=O)N[C@H]3CCS(=O)(=O)C3)cs2)cc1	9578430	SJUCJGFXDQASOP-ZDUSSCGKSA-N	408.505	1.504	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)c1	12933391	WODOCKGOZAGBLT-UHFFFAOYSA-N	418.269	1.428	50	40	HDGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(F)cc1	408684547	NSVFJUNDNZXACV-SLQSZJTJSA-N	412.211	1.878	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(F)cc2)S(C)(=O)=O)c1	408783811	NFJNHHASGQXSIT-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
CN(C)Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2Cl)nnn1-c1nonc1N	2361773	WUCKBVOGUIDHEK-KPSZGOFPSA-N	424.252	1.365	50	40	HDGB	
N#Cc1cnc(SCC(=O)NNC(=O)COc2cccc3ccccc23)nc1N	4126880	JPGMLPMMRLXZST-UHFFFAOYSA-N	408.443	1.402	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1	18709018	BWTQPQQTIJRFAC-UHFFFAOYSA-N	402.882	1.932	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)N[C@@H]1CCc2ccccc21	54095002	YWFINJJSBAUIIM-OAHLLOKOSA-N	401.492	1.920	50	40	HDGB	
COc1cccc(N2C(=O)C[C@@H](NNC(=O)c3cncc(Br)c3)C2=O)c1	100129736	PAEXXSUUSBDXHJ-CQSZACIVSA-N	419.235	1.419	50	40	HDGB	
CC(=O)Nc1cccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)c1	3519239	CEARXPDHIVSAHI-UHFFFAOYSA-N	400.347	1.171	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1)NCCc1ccccc1	28214350	OXVBOEPRIVXZGU-PCLIKHOPSA-N	424.501	1.207	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)ccc1O	409072669	ROSKTFPVIXHVAG-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(OC[C@H]2CCCO2)cc1	6651457	AKLSOVQCTKVHHL-OAHLLOKOSA-N	408.414	1.556	50	40	HDGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c1	408785077	FTZCGLBHGRLAER-VXLYETTFSA-N	405.432	1.340	50	40	HDGB	
N#Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccc(B(O)O)cc3)n2)s1	585294046	MZZRWOZVNNZLJP-GOSISDBHSA-N	405.292	2.170	50	40	HDGB	
COC(=O)C1=c2s/c(=C\c3ccccc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1	1516861	VUPUGGAPMJDKMQ-XUDLPTGHSA-N	415.474	1.511	50	40	HDGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)c(OC)c1	12757762	NSCGLVNUAYORKC-PKNBQFBNSA-N	408.414	1.425	50	40	HDGB	
C[C@@H]1C[C@H](N(C(=O)Nc2cccc(Cl)c2)N(C)C)[C@]2(C#N)C(=O)N=C(N)[C@]12C#N	105826530	FVDDNPDEXUWISJ-AUENNLLBSA-N	413.869	1.976	50	40	HDGB	
COC(=O)CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NNC(=O)C1CC1	112287374	PXNMXBZMUMCUEQ-YBEGLDIGSA-N	413.459	1.867	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CSc2nncn2-c2ccccc2)cc1OC	9221298	NYNQEZVHKAPDGC-UHFFFAOYSA-N	413.459	1.838	50	40	HDGB	
Cn1cc(Br)cc1C(=O)NNC(=O)CSCC(=O)N1CCCCC1	32904001	NRWJCOHPGALWIG-UHFFFAOYSA-N	417.329	1.294	50	40	HDGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1ccccc1F)C(C#N)=C(N)O2	19859276	MODNZECPSWTJFF-IBGZPJMESA-N	410.449	1.846	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1	20060351	IEVAARWFZNVMEY-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408863086	PBOMXDPZBRNIAD-RUDMXATFSA-N	417.159	1.575	50	40	HDGB	
NC(=O)CCn1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c2ccccc21	7098619	SHJHESKHOVNWMY-YSURURNPSA-N	407.430	1.808	50	40	HDGB	
Cc1ccc(S(=O)(=O)CCC(=O)NNC(=O)Cc2nc3ccccc3n2C)cc1	8412216	DYLKTJSGAOVDBJ-UHFFFAOYSA-N	414.487	1.436	50	40	HDGB	
N#CCOc1ccccc1/C=N/NC(=O)Cn1c(-c2nonc2N)nc2ccccc21	9210881	MVPMWXKASVQGAP-FOKLQQMPSA-N	416.401	1.721	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2ccc(Br)cc2)nnn1-c1nonc1N	9497539	URDIOVNMGNYILT-QGMBQPNBSA-N	419.243	1.711	50	40	HDGB	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)cc2c1	32753131	WCTDYUBPDAQBDR-UHFFFAOYSA-N	400.460	1.801	50	40	HDGB	
CC1(C)OC(=O)[C-]([C@H](c2ccc3c(c2)OCO3)[C@@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	100325715	RFQOWHLGQJZRMR-IUODEOHRSA-N	407.362	1.309	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1[N+](=O)[O-]	408869872	SFBBKURREZBURB-VXLYETTFSA-N	424.410	1.659	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccccc2F)cc1S(=O)(=O)N1CCCC1	2630498	PIABAVRKGRIGES-UHFFFAOYSA-N	421.450	1.694	50	40	HDGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1	19852118	AXMLNTDMGIQQFP-PZJWPPBQSA-N	416.485	1.686	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]1C1C(c3ccccc3)=C(c3ccccc3)C2(O)[C@H]2C(=O)OC(=O)[C@H]12	73315721	GWQMHYUJTIVKRW-YVYLJHBOSA-N	416.385	1.604	50	40	HDGB	
O=C(Cc1ccccc1)NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1	14059175	WPKPVKNGBBMBPE-UHFFFAOYSA-N	407.517	1.926	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	28213815	RXORJDZPRDZZOU-AWQFTUOYSA-N	402.432	1.842	50	40	HDGB	
COC(=O)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1	39986611	QHQCLXLFWDBYLJ-NDENLUEZSA-N	403.460	1.552	50	40	HDGB	
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)NNC(=O)c1cc2c(s1)CCCCC2	103040015	BEERUYIWYDTKEG-OKILXGFUSA-N	403.504	1.953	50	40	HDGB	
Cc1nn(CC(=O)NNC(=O)c2ccccc2F)c([N+](=O)[O-])c1Br	5093949	WENVFKAANQEXHO-UHFFFAOYSA-N	400.164	1.463	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	8722685	WSJGWUUZMMOXNY-UFWORHAWSA-N	421.207	1.985	50	40	HDGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCOCC2)=C(C#N)[C@H]1c1ccccc1	409124205	AHYRPRGOJBXNAD-IAGOWNOFSA-N	415.471	1.016	50	40	HDGB	
COc1cc(C[C@@H]2CC(C(=O)N/N=C/c3cccnc3)=NO2)c(OC)c2c1OCO2	15085900	FLWUNLDKZLZLIM-GGPGUOJZSA-N	412.402	1.665	50	40	HDGB	
COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)c1	2454135	ORNPFOOABFGRPH-DJKKODMXSA-N	410.419	1.734	50	40	HDGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1	72306857	QXLIJTZMQQUVTA-RDTXWAMCSA-N	416.478	1.338	50	40	HDGB	
O=C1OC(=O)c2ccccc2/C1=C\Nc1cccc(S(=O)(=O)N2CCOCC2)c1	102149945	BSQGXJBGMKHTCH-QGOAFFKASA-N	414.439	1.858	50	40	HDGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3C[C@@H]3C)c2)cc1	12631308	RVNASBDMRPQIEH-YVEFUNNKSA-N	403.460	1.913	50	40	HDGB	
CC(C)(C)C(=O)NCC(=O)NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	12944029	OOMCTPYCPQUSMY-UHFFFAOYSA-N	408.458	1.914	50	40	HDGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1C	15525102	KLJDWGSRWPSXKG-UHFFFAOYSA-N	417.487	1.399	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3cccnc3)C2)s1	30857926	KTGKFUKXTYNTMT-CQSZACIVSA-N	408.505	1.313	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	6497031	FRTPCUSCSLOYQS-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
Cc1ccc(S(=O)(=O)Oc2ccc(S(=O)(=O)NNC(=O)C(C)C)cc2)cc1	32936747	WWDWTNKLZXOFRU-UHFFFAOYSA-N	412.489	1.728	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)NCc1ccco1	58880658	NMKBVTZTSAZZME-YDZHTSKRSA-N	412.446	1.437	50	40	HDGB	
CC(C)[C@@H](C(=O)O)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	100550279	UHELJJROQHDVDG-HXDUCZBASA-N	423.101	1.874	50	40	HDGB	
C/C(=N\NC(=O)c1c(O)c2ccccc2n(C)c1=O)c1c(O)c2ccccc2[nH]c1=O	100669039	DAFBSWBMILNCBX-BHGWPJFGSA-N	418.409	1.945	50	40	HDGB	
N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1	2201021	DVCNFKPZROXISS-SAPNQHFASA-N	422.466	1.869	50	40	HDGB	
CCCCC(=O)NN/C=C1/C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O	2302265	PUIBXURNAUSVOJ-XFXZXTDPSA-N	409.240	1.727	50	40	HDGB	
Cn1c(=O)c(/C(=N/NC(=O)Nc2ccccc2)c2nnn[nH]2)c(O)c2ccccc21	8384822	BHKAHUVZBQUTDV-QNGOZBTKSA-N	404.390	1.331	50	40	HDGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)c1ccc(Cn2cncn2)cc1	11654737	OREFTZOJCMFGSQ-UHFFFAOYSA-N	403.446	1.700	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccc2[nH]ccc2c1	8991227	JPEOFMHHBZAEIV-HAKPAVFJSA-N	410.455	1.860	50	40	HDGB	
C[C@@H]1C[C@H](N(C(=O)Nc2cccc(Cl)c2)N(C)C)[C@@]2(C#N)C(=O)N=C(N)[C@@]12C#N	105826523	FVDDNPDEXUWISJ-CLMKHAMHSA-N	413.869	1.976	50	40	HDGB	
NC(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	217038135	XVOAAUGFVHRZNC-FRKPEAEDSA-N	401.242	1.523	50	40	HDGB	
COCCNC(=O)/C(C#N)=C\c1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2)o1	408821682	ADATWVOEKKYLOS-PTNGSMBKSA-N	410.430	1.513	50	40	HDGB	
COc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1	52412369	MWFDOEMQRRPZMY-HNNXBMFYSA-N	411.414	1.053	50	40	HDGB	
O=C(NNC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)c1ccccc1Cl	408685972	QQKMDRDTGNUCEO-RFCWUQKJSA-N	413.655	1.672	50	40	HDGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)n1	409240027	JCZBXGXNTKKLAM-OMCISZLKSA-N	406.380	1.858	50	40	HDGB	
COc1ccccc1NC(=O)COC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3[C@@H]2Br	9581307	RTOZDALXZCTOGM-OLXLORKNSA-N	424.247	1.748	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C)o1	12897622	XPRMFNGWKBLGGB-YBTHPKLGSA-N	404.467	1.794	50	40	HDGB	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1C	12914712	JSOJUQRELNPPPR-UHFFFAOYSA-N	417.487	1.683	50	40	HDGB	
CCCC1(CCC)NC(=O)N(CC(=O)NNC(=O)COc2ccc(C)cc2)C1=O	23642019	QFSSARINOSIDHY-UHFFFAOYSA-N	404.467	1.412	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3sccc3C)CC2)cc1	36022838	GBRXOCDXGBTVKA-MOSHPQCFSA-N	420.560	1.822	50	40	HDGB	
O=C(N/N=C1/C[C@@H](n2cc([N+](=O)[O-])cn2)[C@H]2CO[C@H]1O2)c1ccccc1[N+](=O)[O-]	225103301	PBTBUMVHRXPUBB-IYUBUEOQSA-N	402.323	1.172	50	40	HDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1	409174690	NXRFRMWSEFHQOF-PCLIKHOPSA-N	422.485	1.497	50	40	HDGB	
COc1cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1OC	2326240	QVHQKRHVWRRDGC-AWEZNQCLSA-N	417.393	1.418	50	40	HDGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c1	2710004	DSNYERAKRFTUQT-LJQANCHMSA-N	410.474	1.954	50	40	HDGB	
Cc1ccc(SCC(=O)NNC(=O)Cc2csc(NS(C)(=O)=O)n2)cc1	40061905	AXLBFLNECRIOQK-UHFFFAOYSA-N	414.534	1.305	50	40	HDGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccncc1	5376083	JLFQMBFPBSZNBF-JLHYYAGUSA-N	402.457	1.727	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(F)cc2)cc1OC	6544432	UDWGGNJZTZQMKM-RGVLZGJSSA-N	409.439	1.614	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)cc2)c1	6579918	ZGMNMSPFABNOSN-FSJBWODESA-N	416.409	1.056	50	40	HDGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1	15722696	VYSZUFBHYIQLNB-NSHDSACASA-N	414.353	1.543	50	40	HDGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)c1ccc([N+](=O)[O-])cc1	408689226	XZAIGRROPRWFMH-NCPBCQDQSA-N	424.203	1.892	50	40	HDGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)NC(C)C)o2)cc1	408785942	CEGNMVOOJNRFPR-GRSHGNNSSA-N	406.464	1.041	50	40	HDGB	
CCCc1c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)nnn1-c1nonc1N	2447693	UJFMNRFRRBGMLJ-ODCIPOBUSA-N	408.344	1.968	50	40	HDGB	
NC(=O)COc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1	4739420	FGJGFAUBEKXWTD-AWQFTUOYSA-N	406.236	1.842	50	40	HDGB	
COc1cc(/C=C(\C#N)C(N)=O)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	8843251	MJLHMLLEMMXMPP-XYOKQWHBSA-N	403.372	1.763	50	40	HDGB	
CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)NNC(=O)c1ccc(F)cc1	14076094	MZFNFWIBBMSNRY-UHFFFAOYSA-N	420.872	1.878	50	40	HDGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)Cn3cnc4ccccc4c3=O)ccc21	15348352	IMJRYQQKQZWHBG-UHFFFAOYSA-N	404.430	1.536	50	40	HDGB	
O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)NNC(=O)c1ccc([N+](=O)[O-])cc1	101852198	DJGXXTSKTYGBGN-CHWSQXEVSA-N	403.391	1.294	50	40	HDGB	
COc1ccc(N2/C(=N/C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	5376848	FJLWIBJGDZUZGT-XMPKOVAPSA-N	404.897	1.544	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(O)cc3)CC2)cc1	30743153	RWNIRPHLIHAHBE-STZFKDTASA-N	416.503	1.157	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(C(C)C)c3ccccc32)cc1OC	100301655	KLXHOUSJWQTYIV-LKUDQCMESA-N	424.457	1.709	50	40	HDGB	
C/C=N/NC(=O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1OC	408925589	UYWZWDWBVWXEJE-VQVFLLJXSA-N	404.423	1.387	50	40	HDGB	
COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)cc(OC)c1O	1644283	YVEINCOWHHHOCK-BJBLRFPOSA-N	417.418	1.798	50	40	HDGB	
Cc1nn(C[C@@H](C)C(=O)N/N=C/c2c(Br)cnn2C)c(C)c1[N+](=O)[O-]	2782806	HURRABLYTAFXPO-NGZXACEBSA-N	412.248	1.691	50	40	HDGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1OC	6583061	CELHZBOWDLAOCO-VXLYETTFSA-N	411.867	1.786	50	40	HDGB	
CCCCCCCC(=O)NN(C)c1nc(N2CCOCC2)nc(N2CCOCC2)n1	98007923	GLVUPSRIBDSRAN-UHFFFAOYSA-N	421.546	1.373	50	40	HDGB	
O=C(Cc1nnc(NC(=O)Nc2ccccc2)s1)NNC(=O)Nc1ccccc1	408730831	JATAOMUEONNAES-UHFFFAOYSA-N	411.447	2.578	50	40	HDGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cccc(OCC(=O)O)c1	408905777	DRWIYRXEVNHJFW-ZFJBLLOBSA-N	413.430	1.958	50	40	HDGB	
O=C(CCNC(=O)c1ccccc1Cl)NNC(=O)[C@@H]1COc2ccccc2O1	2663028	GWINGGPGDVDFDB-INIZCTEOSA-N	403.822	1.447	50	40	HDGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	3240763	SJUJJSYTSODIQQ-UHFFFAOYSA-N	403.460	1.091	50	40	HDGB	
CCOc1ccc(C(=O)NCC(=O)NNC(=O)c2cc(C)oc2C)cc1OCC	6558060	QOTIYZSFAJJSLC-UHFFFAOYSA-N	403.435	1.885	50	40	HDGB	
Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c1	408536128	PUSZYRGESGXECL-VYXQJKENSA-N	409.358	1.518	50	40	HDGB	
Cn1c(SCSC#N)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1	12716420	USWNYAQEMSLKRF-UHFFFAOYSA-N	411.534	1.767	50	40	HDGB	
COc1ccc(OCC(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1	15668704	PGPBWGWCJFWCHV-UHFFFAOYSA-N	408.414	1.191	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(C)cc2)cc1	16291535	GTTIMYIVKUDMRG-UDWIEESQSA-N	402.476	1.724	50	40	HDGB	
O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)NNC(=O)c1cc2c(s1)CCCCC2	24473774	BEERUYIWYDTKEG-ZIAGYGMSSA-N	403.504	1.953	50	40	HDGB	
O=C(Cn1c2c(c(=O)n(C3CCCCC3)c1=O)CCC2)NNC(=O)c1cccs1	32604010	YLWNUMGDJCPIBJ-UHFFFAOYSA-N	416.503	1.527	50	40	HDGB	
COc1cc(/C=N\NC(=O)c2cccc(O)c2)ccc1OCC(=O)N1CCOCC1	35799906	VQBJJJFNLFVUCC-XKZIYDEJSA-N	413.430	1.402	50	40	HDGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)cn1	44880225	NEQDGRGKXTWSKE-UHFFFAOYSA-N	412.475	1.976	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1	408741580	QSOLDINGWCFLLQ-LEBHLANCSA-N	411.399	1.375	50	40	HDGB	
C[C@@H](C(=O)N/N=C/c1ccc(OCC#N)cc1)N(c1ccccc1)S(C)(=O)=O	408923241	UVVMIWYJWQGRMJ-HBBMIWKISA-N	400.460	1.894	50	40	HDGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC)cc1OC	8088375	CWOXOZUSATYFIW-FSJBWODESA-N	412.446	1.471	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1	20060388	FPQMZQUZABDRLG-UDWIEESQSA-N	419.459	1.537	50	40	HDGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc(C(=O)O)cc1	33752791	SCXRSKHLFIGDJF-MOSHPQCFSA-N	403.460	1.339	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(OCC(C)C)nc1	40144449	ANDMNJDOFPMZIM-UHFFFAOYSA-N	419.507	1.793	50	40	HDGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)cc1	58873313	KFFVRXQNFFLECF-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
CCOC(=O)c1ccc(N2C(=O)C[C@@H](NNC(=O)c3ccc(OC)cc3)C2=O)cc1	100142073	ZGZZXZXXEKQRTO-QGZVFWFLSA-N	411.414	1.438	50	40	HDGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccncc3)nnn2-c2nonc2N)cc1	13514053	NICSGFSPTFHJMB-SSDVNMTOSA-N	419.405	1.457	50	40	HDGB	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N/N=C\c1cccc(OC)c1O	16291234	GVPVAHUGMUVUSR-JAIQZWGSSA-N	421.475	1.489	50	40	HDGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)CNC(=O)C(C)(C)C	24312033	ZZZMVGPORLTMPZ-SNVBAGLBSA-N	400.273	1.526	50	40	HDGB	
COc1ccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1	100572084	WNZREEZAFLMSKD-MRXNPFEDSA-N	403.822	1.680	50	40	HDGB	
COc1ccc(C2=NO[C@H]3[C@H]4CO[C@@H](O4)/C(=N\NC(=O)Cc4ccccc4)[C@H]23)cc1	108545720	VURJCWQVFAALEG-HTUFBHHOSA-N	407.426	1.884	50	40	HDGB	
O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccncc1	408729179	BCQRZJGMQMWGRH-KEBDBYFISA-N	400.851	2.532	50	40	HDGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(N3CCOCC3)nc12	2205153	ZEGLMPZAKQIJTE-NWNNTGRJSA-N	423.473	1.042	50	40	HDGB	
O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1ccccc1-n1cccc1	12608765	FGZAEINHXTVJQN-UHFFFAOYSA-N	423.473	1.883	50	40	HDGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)c1ccc([N+](=O)[O-])cc1	408689228	XZAIGRROPRWFMH-ORIIPUBOSA-N	424.203	1.892	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(O)cc2)c1	39986675	HAYZIXWYEUSJCK-ODLFYWEKSA-N	407.448	1.180	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc2ncccc12	102721269	UWNHJIROFDEEIS-MPMPPSQCSA-N	422.466	1.927	50	40	HDGB	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)C(=O)[C@@H](NC(=O)CCCCl)[C@@H]1c1ccccc1	104097119	NIKHOFOLHLNIPQ-QXSJWSMHSA-N	423.849	1.004	50	40	HDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1	409160293	TVRVPERFVVNOST-PCLIKHOPSA-N	422.485	1.497	50	40	HDGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)C/C(C)=N/NC(=O)C(=O)N1CCCCC1	13942386	BQNUPYPBWOGXGM-UDWIEESQSA-N	405.411	1.437	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1OC(C)=O	21273914	GWHZRVSWZLDHAB-SRZZPIQSSA-N	424.417	1.433	50	40	HDGB	
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)C(Br)Br	28759718	UWOHGNMWBGIRAQ-RKDXNWHRSA-N	412.034	1.221	50	40	HDGB	biogenic,in-vivo
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1	408732541	WNEAMCFIQAKJBC-OMCISZLKSA-N	406.380	1.216	50	40	HDGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC(C)=O)cc1)S(C)(=O)=O	408925804	QLFUUGJDCBLXFD-UDWIEESQSA-N	419.459	1.537	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C)n2C[C@H]2CCCO2)cc1	915451	SLZSBHFOSHHXDR-OAHLLOKOSA-N	405.480	1.327	50	40	HDGB	
CCN(CC)Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(Cl)c1	2242811	WRGRYFBFOGFAGT-AWQFTUOYSA-N	417.861	1.492	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccc(Cl)cc1	6510742	JGHZOWAUOAEYBU-UHFFFAOYSA-N	411.867	1.235	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1ccc(OC)cc1	59490268	PMZPAOUYNVTWBS-UDWIEESQSA-N	419.459	1.700	50	40	HDGB	
Cc1ccc(C)c(N(CC(=O)NN=C2C(=O)Nc3ccccc32)S(C)(=O)=O)c1	408777592	CVDJOYNCXARXRO-UHFFFAOYSA-N	400.460	1.542	50	40	HDGB	
CCOc1ccc(NC(=O)CCC(=O)NNC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1	6048198	MPXARRVOSXTNAB-CVEARBPZSA-N	405.451	1.842	50	40	HDGB	
CCCn1nc(C(=O)NNC(=O)Cc2noc3ccccc23)c2ccccc2c1=O	8192014	DNFAXCFDULXDSY-UHFFFAOYSA-N	405.414	1.951	50	40	HDGB	
CCCc1c(C(=O)N/N=C(\C)c2ccc(O)c(OC)c2)nnn1-c1nonc1N	9350841	MGLNDRFCOQBKHJ-DJKKODMXSA-N	400.399	1.053	50	40	HDGB	
COc1cccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)c1	408677459	BXPCTJCIXDGVIO-QAKAVFCJSA-N	424.247	1.748	50	40	HDGB	
CCOc1ccc(/C=N\NC(=O)CN2CCOCC2)cc1I	409000914	NTIIXEHABASYSZ-YVLHZVERSA-N	417.247	1.472	50	40	HDGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)CNc1ccc2c(c1)OCO2	409080872	OEYXYAWBVTYUIE-DNTJNYDQSA-N	402.363	1.903	50	40	HDGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)NCCc1ccccc1	4525718	ZIQHUJDMBLXZLZ-PCLIKHOPSA-N	422.485	1.497	50	40	HDGB	
O=C(NNC(=O)C1CCN(C(=O)c2cccnc2)CC1)c1ccc2ccccc2n1	29760111	QFRIZLOAOHRFOV-UHFFFAOYSA-N	403.442	1.943	50	40	HDGB	
O=C(CCCC(=O)N/N=C1\C(=O)Nc2ccccc21)N/N=C1\C(=O)Nc2ccccc21	2341096	BGFRHJCBQIKPQE-UHFFFAOYSA-N	418.413	1.102	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1	6478131	HMPFBZTTXCHNGP-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
COC(=O)c1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1	6607256	IFZNJVZTHVWAPO-SRZZPIQSSA-N	417.487	1.827	50	40	HDGB	
Cc1cc(C(=O)NNC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c(C)o1	12897610	XPRMFNGWKBLGGB-PRWKNARSSA-N	404.467	1.794	50	40	HDGB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1cccnc1	17093517	NTDCPLCSVJSGGX-UYRXBGFRSA-N	423.429	1.565	50	40	HDGB	
O=C(COc1ccc(/C=N\NC(=O)COc2ccccc2)cc1)NC[C@@H]1CCCO1	58883277	OIHFWWFRXBGTHY-PMIGXTIBSA-N	411.458	1.890	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)c2ccccc2Br)c2ccccc2c1=O	3612471	YVBWSZWTMSAPMI-UHFFFAOYSA-N	401.220	1.771	50	40	HDGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1	6879502	BGLXTWXBVJEEPY-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
CCn1c(NNC(=O)CCn2cnc3ccccc3c2=O)nc2ccccc2c1=O	11165103	CQULYCSNTYTWFT-UHFFFAOYSA-N	404.430	1.660	50	40	HDGB	
O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1ccc(-c2ccncc2)cc1)c1cccnc1	12934242	FDEPDWOWFUTLDY-UHFFFAOYSA-O	403.447	1.934	50	40	HDGB	
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)[C@@H]1COc2ccccc2O1	15795539	KMBPAUPRNAIKEY-INIZCTEOSA-N	424.862	1.491	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)NNC(=O)c2ccccc2)[C@H]2C=C[C@H]1C2)c1ccccc1	100519938	NRASRDNMEKWQOT-VJANTYMQSA-N	418.453	1.347	50	40	HDGB	
C[C@]12S/C(=N/[C@@H]3CCS(=O)(=O)C3)S[C@@H]1CS(=O)(=O)[C@@H]2Br	100925201	QVZDWBIUSADKMV-DFIWKWFBSA-N	420.397	1.286	50	40	HDGB	
O=C(N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1)C(=O)N1CCCCC1	408779662	HBEYWSXLZOUFIH-MOSHPQCFSA-N	418.475	1.221	50	40	HDGB	
O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)COc1cccc(F)c1	9988879	QOKISWDKJMCURN-UHFFFAOYSA-N	409.417	1.864	50	40	HDGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2ccc(O)c(OC)c2)C(C#N)=C(N)O1	2268260	JUMHHOKPYOZFLD-QGZVFWFLSA-N	402.403	1.979	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C)c1	8571366	KOKWSMZKLSRNKL-YDZHTSKRSA-N	412.446	1.225	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc2ncccc12	8993377	UWNHJIROFDEEIS-RQNDZEIBSA-N	422.466	1.927	50	40	HDGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)CNc2ccccc2OC)c2ccccc21	6570078	GULRKCVPJQXMPT-GFMRDNFCSA-N	410.430	1.537	50	40	HDGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)[C@H]2C(=O)NC[C@@H]2c2ccccc2)c1O	15938641	TZUQEIZOYUJMOX-JEDCDISESA-N	412.402	1.679	50	40	HDGB	
Cn1cc(Br)cc1C(=O)NNC(=O)CNC(=O)c1ccccc1Cl	12393575	IYIPTHCWJFUXSL-UHFFFAOYSA-N	413.659	1.632	50	40	HDGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1csc(N2CCOCC2)n1	12803965	IWWRSBOTIJPYLL-UHFFFAOYSA-N	412.471	1.973	50	40	HDGB	
CCc1c(C(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)cnn1-c1ccc(O)nn1	12985609	YWGWFDAXONXONO-LLVKDONJSA-N	414.397	1.298	50	40	HDGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br	409223872	GGIBNCNLTYQYCG-WAPJZHGLSA-N	416.615	1.756	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1	2663030	USFIPVPAAWNEMM-UHFFFAOYSA-N	411.867	1.430	50	40	HDGB	
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c2ccccn2)cc1	8198079	ZJBQYIKJLVBKFV-QGZVFWFLSA-N	404.492	1.544	50	40	HDGB	
C[C@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)C1=O	23121526	LRNHOWXONLPEFX-NWVYZFQHSA-N	402.495	1.461	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1OC	25317282	KEPUTMRVKUABIO-CQSZACIVSA-N	401.419	1.610	50	40	HDGB	
Cc1ccc(OCCC(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)cc1	32731278	ZKNFMEOYKBWIGO-UHFFFAOYSA-N	404.492	1.447	50	40	HDGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1OC	3115475	LGBXTMBAJUZKPT-GZIVZEMBSA-N	419.821	1.966	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1	8991376	ZVRRVYFNWBEPHY-SLVCOGOPSA-N	415.427	1.077	50	40	HDGB	
CCCCCCOc1ccc(/C=N\NC(=O)CCc2n[nH]c(=O)[nH]c2=O)cc1OC	31776261	ODYOWMKQTVMPED-BKUYFWCQSA-N	417.466	1.509	50	40	HDGB	
CC(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccc(Br)cc2)o1	408782890	KZYPPGZVDFHYQK-LZYBPNLTSA-N	400.254	1.991	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	3469673	GQYAKZWMAHLZMJ-RCCKNPSSSA-N	416.503	1.537	50	40	HDGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1OC	5514344	KBIGLVYZHVKSDC-LPYMAVHISA-N	414.418	1.811	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	5915098	BRLDMFSQBAGYKD-FSJBWODESA-N	416.409	1.056	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)c1ccccn1	32794988	AFLCZLKBFVWKQT-LLVKDONJSA-N	403.236	1.658	50	40	HDGB	
C/C(=N/NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc([N+](=O)[O-])cc1	85874423	CPNRBPJRYWYHTA-RIWZNOJBSA-N	408.418	1.469	50	40	HDGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc(I)c1O)C(=O)NC(N)=O	409245228	PIUXVMYGUJQCEP-BHQIHCQQSA-N	402.104	1.007	50	40	HDGB	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C1\C(=O)Nc2ccc(Br)cc21	1244525	MARSQXMJUJGFNE-UHFFFAOYSA-N	419.210	1.791	50	40	HDGB	
COc1cc(OC)cc(C(=O)NCC(=O)N/N=C/c2cc(OC)ccc2OC)c1	4079655	YGMJZKZCYRFYPU-SSDVNMTOSA-N	401.419	1.601	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1	6584151	ISCCLJKFHXVOTH-YBFXNURJSA-N	407.448	1.141	50	40	HDGB	
CC(C)n1ncc2c(C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C)cc(C3CC3)nc21	25050840	SOPDBHKEZOFOPB-CQSZACIVSA-N	405.524	1.996	50	40	HDGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2cn(C)c3ccccc23)cc1	7907394	GHCZUXYQUPLLDE-UHFFFAOYSA-N	401.444	1.978	50	40	HDGB	
CCn1c(=O)c(=O)[nH]c2cc(C(=O)NNC(=O)[C@H](C)Oc3cccc(C)c3C)ccc21	18102705	ZSCZERVUNWWGBD-AWEZNQCLSA-N	424.457	1.555	50	40	HDGB	
COCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	58873035	KWCZDVZSHQTAGQ-UCQKPKSFSA-N	412.446	1.307	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1O	408780562	DTFJDEZHSWAGLA-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(OCC(=O)O)cc1	408911349	NDANQZRRLBLVFH-MNOULKQQSA-N	413.430	1.958	50	40	HDGB	
N#Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccc(B(O)O)cc3)n2)s1	585294050	MZZRWOZVNNZLJP-SFHVURJKSA-N	405.292	2.170	50	40	HDGB	
CCN(CC)S(=O)(=O)CC(=O)NNC(=O)COc1ccccc1-c1ccccc1	72284122	XONFNLGTWWHLJG-UHFFFAOYSA-N	419.503	1.551	50	40	HDGB	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409380986	CMDFTOJCXUTMKQ-GXNBUGAJSA-N	401.419	1.086	50	40	HDGB	
COc1ccc(S(=O)(=O)NN(C)C(=O)c2nn(-c3ccccc3)ccc2=O)cc1	1398856	BMIOHONQFGSUDS-UHFFFAOYSA-N	414.443	1.207	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCO)c(=O)c32)c(OC)c1OC	4851043	GIHLEWVHRRQHJX-MRXNPFEDSA-N	413.430	1.393	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	16186885	KEDKGEPVANHSDG-VXLYETTFSA-N	424.410	1.513	50	40	HDGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2nc(N3CCOCC3)ncc2Cl)cc1	40123102	ROSQWPOTMQLZLI-UHFFFAOYSA-N	419.869	1.829	50	40	HDGB	
O=C(NNC(=O)c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O	3158703	RYTQGONMZOEBLL-UHFFFAOYSA-N	408.322	1.385	50	40	HDGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	5635904	OOZBDGOIUBTHCL-UHFFFAOYSA-N	414.418	1.580	50	40	HDGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCOCC1	409154379	NVVWLKJNYXUIEV-OEAKJJBVSA-N	424.457	1.321	50	40	HDGB	
CNC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccc(F)cc1	3770058	NERKIEWTCIQVNU-TZMCWYRMSA-N	416.434	1.081	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1	6866416	CKDQXSINXIVLGW-LSHDLFTRSA-N	402.838	1.862	50	40	HDGB	
COc1ccc(CNC(=S)NNC(=O)CCS(=O)(=O)c2ccccc2)cc1	8357227	RSVXRKRVSKPZGA-UHFFFAOYSA-N	407.517	1.555	50	40	HDGB	
O=C(NNC(=O)C1CCN(c2ccc(Cl)nn2)CC1)c1cccc([N+](=O)[O-])c1	36396455	ZCIOEVBEDYDDBJ-UHFFFAOYSA-N	404.814	1.716	50	40	HDGB	
COc1ccc(C(=O)NCCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1OC	41097255	TVAZRWWZVAJPAQ-UHFFFAOYSA-N	405.838	1.938	50	40	HDGB	
O=C(NN[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1=O)c1ccc(Cl)cc1	100117115	ARHSFGBECATSET-AWEZNQCLSA-N	401.806	1.678	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O	408771580	IAHSYXZZEUIPDH-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c(OC)c1	408772060	MYCGQCYYFSUVDI-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
Cc1ccc(NCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)cc1	9223756	XGLURCAOGOCRAF-UHFFFAOYSA-N	419.279	1.747	50	40	HDGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCN3CCOCC3)c(=O)c21	19859269	ONQPUVMGJLTRSC-FQEVSTJZSA-N	422.485	1.716	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	20060356	NNCVZGPKGVSIMW-UDWIEESQSA-N	421.475	1.629	50	40	HDGB	
COc1ccc([C@H](CNC(=O)N[C@H]2CS(=O)(=O)C[C@H]2Cl)N2CCCC2)cc1	575422782	OHFBTMAVHZDGPS-IKGGRYGDSA-N	415.943	1.536	50	40	HDGB	
O=C(Cn1c(-c2ccccc2)cc(=O)n2ncnc12)NNC(=S)Nc1ccccc1	2585199	GQXANOCFKITZIK-UHFFFAOYSA-N	419.470	1.576	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cc(C(=O)NNC(=O)c2ccccc2)ccc1OC	12937753	GMQJKMFPZLLXGC-UHFFFAOYSA-N	405.476	1.801	50	40	HDGB	
CCc1sc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)c2ccccc2F)cc1C	14199327	XPFATTBLHGVMPH-LLVKDONJSA-N	413.496	1.886	50	40	HDGB	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1	33348724	AXMLNTDMGIQQFP-FPOVZHCZSA-N	416.485	1.686	50	40	HDGB	
COc1cc(/C=N\NC(=O)COc2cccc3cccnc23)ccc1OCC(N)=O	409013469	AEARWZYZJDNMTM-MYKKPKGFSA-N	408.414	1.637	50	40	HDGB	
C[C@H](Br)C(=O)Oc1ccccc1C(=O)NNC(=O)[C@@H](C)Br	3296962	YFDAORIUQTVYRN-SFYZADRCSA-N	422.073	1.920	50	40	HDGB	
C[C@@H](CC(=O)NNC(=O)c1ccc(C(F)(F)F)cc1)CC(=O)N1CCOCC1	4715780	OYHMWVLDERGAFX-LBPRGKRZSA-N	401.385	1.742	50	40	HDGB	
CCn1c(NNC(=O)CCc2c(C)nc3ncnn3c2C)nc2ccccc2c1=O	11159560	OOZXSHPYRUGOHE-UHFFFAOYSA-N	406.450	1.547	50	40	HDGB	
O=C(Cn1nc2n(c1=O)CCCCC2)NNC(=O)c1cc2c(s1)CCCCCC2	12972873	JWTWUHUCIVKEAU-UHFFFAOYSA-N	417.535	1.953	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccncc1)c1ccc(Br)cc1	20209866	GKDVKIJTJXKEGF-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
CCc1c(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cnn1-c1ccc(OC)nn1	24646761	ZTGHZYUBTOGWAQ-UHFFFAOYSA-N	419.445	1.718	50	40	HDGB	
Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NNC(=O)[C@H](C)Oc1ccc(F)cc1	58102744	SDMACHCIIXXAAA-LBPRGKRZSA-N	409.439	1.318	50	40	HDGB	
CCN(CC)C(=O)CN1C(=O)/C(=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	59461428	SHQSORGPKFWBIY-ZBJSNUHESA-N	423.429	1.944	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	408816687	ZCHMQMYVHNIMNP-VZUCSPMQSA-N	413.224	1.591	50	40	HDGB	
N#Cc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(Br)s1	16096713	XRRTXSJVCDVOIR-UHFFFAOYSA-N	416.278	1.771	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)N1CCCC1	409272308	PMZXPDUCDDYJIX-NSMHLIOHSA-N	418.494	1.451	50	40	HDGB	
CCCNC(=O)/C(C#N)=C/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1	9423368	JVRYXABZJPSBCM-BYLLIGOQSA-N	404.517	1.695	50	40	HDGB	
COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1	39986748	DNTJOXMVPAJNTM-NDENLUEZSA-N	421.475	1.483	50	40	HDGB	
O=C(CCCC(=O)N/N=C\c1cc(O)ccc1O)N/N=C\c1cc(O)ccc1O	104081182	GNEBDTBPGINZLX-JTMCVSSMSA-N	400.391	1.280	50	40	HDGB	
COc1ccc(C)cc1-n1nnnc1SCC(=O)NNC(=O)c1ccccc1F	8194703	PUKYPRPNWFGDLC-UHFFFAOYSA-N	416.438	1.672	50	40	HDGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccco3)nnn2-c2nonc2N)c1	9345414	QUZNWUHYLFYBKY-KEBDBYFISA-N	408.378	1.655	50	40	HDGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(O)cc1O)OCc1ccccc1	408991245	PXCHYITUUQXMAP-KNQBZKNYSA-N	423.429	1.809	50	40	HDGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C1CCN(S(=O)(=O)c2cccs2)CC1	3189714	PTACDEOTOMRTEP-MHWRWJLKSA-N	412.449	1.800	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1	6497038	QRIRMCMCVDWXFA-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(CN2C(=O)CNC2=O)cc1	12912743	YFXALXAXOWLKCO-UHFFFAOYSA-N	410.474	1.716	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(N(C)CCO)cc2)cc1	24036532	RZSXSMQVPNDROM-KGENOOAVSA-N	418.519	1.194	50	40	HDGB	
COc1cccc(-n2nnc(C(=O)NNC(=O)CN3CCCc4ccccc43)c2C)c1	32669064	DKZAZLVEYVUJOE-UHFFFAOYSA-N	420.473	1.798	50	40	HDGB	
O=C(CCNS(=O)(=O)c1ccccc1)NNC(=O)COc1ccccc1Cl	5273012	QJALNJZHAHRBKS-UHFFFAOYSA-N	411.867	1.235	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	58885072	RRXYQIRLCUDXLN-VXLYETTFSA-N	402.363	1.709	50	40	HDGB	
O=C(NNC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(NC(=O)c2ccco2)cc1	109036246	KNZDLZSUTOFBAZ-PYTWLRIVSA-N	409.398	1.816	50	40	HDGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1	7894315	QKWLJRISBGIZSI-YDZHTSKRSA-N	415.421	1.836	50	40	HDGB	
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	7990343	JOABAQTWXBQMJL-UHFFFAOYSA-N	414.805	1.810	50	40	HDGB	
Cn1c(=O)c2c(nc(SC[C@H](O)CCl)n2CCc2ccccc2)n(C)c1=O	32937924	BYGMYEILNJYMDV-CYBMUJFWSA-N	408.911	1.368	50	40	HDGB	
COc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	8037062	QMNWXXITWGGRCX-OAHLLOKOSA-N	411.414	1.053	50	40	HDGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1O	102041142	UZBZPTCMPXDXPE-FRKPEAEDSA-N	405.279	1.889	50	40	HDGB	
O=C(COc1ccc(-n2cnnn2)cc1)N/N=C/c1cc(Br)ccc1O	2319515	IZYYUANMXGHLMM-QGMBQPNBSA-N	417.223	1.660	50	40	HDGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)COc2ccccc2)c2ccccc21	6139363	PRSPJXCQCALZMT-QLYXXIJNSA-N	419.441	1.352	50	40	HDGB	
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)COc1cccc(Br)c1	6168233	PQSBARFVMOMXKO-RNCFNFMXSA-N	401.261	1.058	50	40	HDGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@H]3C[C@H]3C)c2)cc1	12631319	RVNASBDMRPQIEH-PXAZEXFGSA-N	403.460	1.913	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccco1	24259614	AGZCQWVNJASPNV-VIFPVBQESA-N	403.869	1.609	50	40	HDGB	
NC(=O)c1ncn2c(C(=O)NNC(=O)c3ccccc3F)cc(-c3ccco3)nc12	48279038	TVBODVUTMYFADQ-UHFFFAOYSA-N	408.349	1.302	50	40	HDGB	
C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408651246	CUCVEWPURLROCQ-MAUKXSAKSA-N	409.442	1.601	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)c1ccc2c(c1)OCO2	7428748	BAOHNPTWFNNXAU-UHFFFAOYSA-N	404.322	1.937	50	40	HDGB	
COc1ncccc1C(=O)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	12945695	OLNKUNWPNXUVAD-UHFFFAOYSA-N	415.427	1.732	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1	6497014	JSWNCOUQVIKYMD-FSJBWODESA-N	412.446	1.607	50	40	HDGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1	19953841	YWHVOMHIAIRHCZ-HMHKGCENSA-N	419.459	1.698	50	40	HDGB	
Cn1cc(C(=O)NNC(=O)NCc2cccnc2N2CCOCC2)c2ccccc21	26386298	JHZLTAFFYRQZGT-UHFFFAOYSA-N	408.462	1.554	50	40	HDGB	
COc1ccc(/C=N\NC(=O)C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC	31636946	ROEMVDFZWVQMFZ-IINORCHSSA-N	414.418	1.321	50	40	HDGB	
COc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1	6544750	WPGFIDFOXFMPFI-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
COc1ccc(-n2nnc3c(N4CCN(C(=O)CCCl)CC4)ncnc32)cc1	9850097	GYKLKTZFSOVDQX-UHFFFAOYSA-N	401.858	1.497	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccccc1F	16248233	JUCBEXFKCYLKNK-CIAFOILYSA-N	404.423	1.644	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	20060418	GILSGCSSQIXZKY-CPNJWEJPSA-N	420.447	1.910	50	40	HDGB	
COc1cc(C(=O)NCC(=O)N/N=C(\C)c2ccc(N)cc2)cc(OC)c1OC	13282644	WSOXIZKSZNHPIN-FSJBWODESA-N	400.435	1.565	50	40	HDGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(N3CCOCC3)nc12	2205155	ZEGLMPZAKQIJTE-MOKGIYGOSA-N	423.473	1.042	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)N2CCN(c3ccccc3OC)CC2)ccc1O	4048222	PURYLUBDPFQSSU-HYARGMPZSA-N	412.446	1.208	50	40	HDGB	
NNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1	4549094	NDSGMQJILWYQEV-QPEQYQDCSA-N	404.220	1.939	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1ccccc1Cl	20493225	MHPCMXQOSKMDNE-VXLYETTFSA-N	409.851	1.955	50	40	HDGB	
CC1(C)OC(=O)[C-]([C@H](c2ccc3c(c2)OCO3)[C@H](C#N)C(N)=C(C#N)C#N)C(=O)O1	100325724	RFQOWHLGQJZRMR-SWLSCSKDSA-N	407.362	1.309	50	40	HDGB	
CCN(CC)C(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccc(C)cc2)o1	408771633	JUPRIRIIPAEWKD-NDENLUEZSA-N	420.491	1.385	50	40	HDGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1-c1cccnc1	900128	BZAWWFJUFRISCA-UHFFFAOYSA-N	412.475	1.922	50	40	HDGB	
C[C@]12CCC(=O)N1[C@H](C(=O)NNC(=O)COc1cccc(C(F)(F)F)c1)CS2	12975862	HMEAQGFXMXQEPQ-LRDDRELGSA-N	417.409	1.686	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC	19954423	KOSCKGFLWRYTDI-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1	20060244	WTKIPAJQVDGFFO-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
Cc1nc2ccccn2c1C(=O)NNC(=O)c1sccc1S(=O)(=O)NC1CC1	32423388	QIXSPRCZHYQRBG-UHFFFAOYSA-N	419.488	1.220	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC	3085813	DTPHZXVUIZPFPR-UDWIEESQSA-N	405.476	1.783	50	40	HDGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)c1	3203134	VMPDCVFSTQNVQV-DQAKUKQTSA-N	400.391	1.881	50	40	HDGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1	6203891	FUESCOXFPVYUFB-UHFFFAOYSA-N	405.476	1.394	50	40	HDGB	
COc1cc(C(=O)NNC(=O)Cc2csc(N3CCOCC3)n2)cc(OC)c1C	25165520	WLYLPIIXJDJWDV-UHFFFAOYSA-N	420.491	1.309	50	40	HDGB	
O=C(CNC(=O)NCc1ccco1)NNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	1754270	PFAKZIXHLQOILS-UHFFFAOYSA-N	410.774	1.493	50	40	HDGB	
CCCC(=O)N[C@H](CSSC[C@H](NC(=O)CCC)C(=O)OC)C(=O)OC	33376417	DYJBKHLHXXREPZ-TXEJJXNPSA-N	408.542	1.284	50	40	HDGB	
Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NC[C@@H]3CCCO3)c2c1	4673221	HUIZCRYMKSHGAA-HNNXBMFYSA-N	400.479	1.550	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	6580986	GWWKMLOLCNMDID-YDZHTSKRSA-N	410.430	1.465	50	40	HDGB	
CCCc1cc(=O)[nH]c(SCC(=O)NNC(=O)c2cc(Cl)ccc2OC)n1	11443290	BQBSQYHWSDIQIR-UHFFFAOYSA-N	410.883	1.938	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2OC)cc1	58881845	WJUFUILEMYEFKA-SRZZPIQSSA-N	415.402	1.344	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc3c(c2)OCCO3)c2ccccc21	2442432	IWTVSPGNOPUSTO-QQTULTPQSA-N	422.441	1.465	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OCC)cc2)c1	6953905	RGJKZRFBNKLYOU-YDZHTSKRSA-N	412.446	1.689	50	40	HDGB	
Cn1cccc1CC(=O)NNS(=O)(=O)c1ccc(Br)cc1Cl	7974332	WDYYNKGINAIUAD-UHFFFAOYSA-N	406.689	1.993	50	40	HDGB	
CC(=O)Oc1ccc(C(=O)NNC(=O)[C@H](C#N)C(=O)c2ccc(OC(C)=O)cc2)cc1	9287781	KYBLSIBBFREUTA-GOSISDBHSA-N	423.381	1.321	50	40	HDGB	
COc1cccc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)c1O	409052173	CAAOYTZLDSKWMX-FMCGGJTJSA-N	403.398	1.891	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCc2ccc3c(c2)OCO3)cc(Cl)c1O	409265196	SWCDSLMTYQBUGK-LSFURLLWSA-N	419.821	1.940	50	40	HDGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC	4499489	YUKALBXUHWXFSW-CIAFOILYSA-N	400.391	1.421	50	40	HDGB	
CCn1c(NNC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O	10681510	VTTHTYLTPGSDGJ-LBPRGKRZSA-N	424.417	1.586	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)c1cccc([N+](=O)[O-])c1	32794999	RFNZZWFUPAOTDR-MRXNPFEDSA-N	408.414	1.898	50	40	HDGB	
C=C(C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	1873966	STOPANFMPLJRSQ-SFHVURJKSA-N	411.414	1.920	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	6544444	OYGHQCVNHUHFHZ-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
Cn1nc(C(=O)NNC(=O)/C=C/c2ccc(Br)o2)c2ccccc2c1=O	12764024	BJNQTJGPLIDQRS-VQHVLOKHSA-N	417.219	1.763	50	40	HDGB	
CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)[C@H]2COc3ccccc3O2)c2ccccc21	1296118	FSNXASULLMXFGZ-OFGUMHRGSA-N	422.441	1.218	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	4904590	PBTWVQRPFFVUNH-UDWIEESQSA-N	418.475	1.424	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1OC	6583857	SPRZGAQJEMENQY-UDWIEESQSA-N	405.476	1.616	50	40	HDGB	
COc1ccc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NN)cc1	13511679	CRZYLUAPXPHFGA-OQLLNIDSSA-N	401.419	1.482	50	40	HDGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2O)S(C)(=O)=O)c1	408776427	OBLHJSZCKTVUKB-YBFXNURJSA-N	407.448	1.326	50	40	HDGB	
Cc1cc(O[C@H](C)C(=O)NNC(=O)C[C@H]2CCS(=O)(=O)C2)cc(C)c1Cl	4392987	KNZHMOPXPZKHAK-CHWSQXEVSA-N	402.900	1.696	50	40	HDGB	
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NNC(=O)c2cccc(Cl)c2)C1=O	5273210	ACJKWUVVUMFQAL-IBGZPJMESA-N	400.822	1.568	50	40	HDGB	
CC(C)[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)CCl	95869699	TUGFCYBOSDAYHT-JENIJYKNSA-N	424.973	1.119	50	40	HDGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(C)(=O)=O	408782921	ITMHIWVKOFMUIL-UDWIEESQSA-N	419.459	1.700	50	40	HDGB	
Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)CCC(=O)NC[C@H]3CCCO3)c2c1	4673222	HUIZCRYMKSHGAA-OAHLLOKOSA-N	400.479	1.550	50	40	HDGB	
CC(C)(C)NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	5726621	PRYQHJANEXAIQC-ODLFYWEKSA-N	406.464	1.123	50	40	HDGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)[C@@H]3C[C@H]3C)c2)cc1	12631315	RVNASBDMRPQIEH-SJKOYZFVSA-N	403.460	1.913	50	40	HDGB	
CC(C)n1nc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c2ccccc2c1=O	13021251	YPMLQIXPQSMDDP-UHFFFAOYSA-N	404.423	1.740	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc(C)c3)CC2)cc1	30742610	WOIAGHPRJAWUHH-JCMHNJIXSA-N	414.531	1.760	50	40	HDGB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NNC(=O)c1cccc([N+](=O)[O-])c1	84380132	XXWOHIUAUAHITJ-YDHLFZDLSA-N	407.452	1.082	50	40	HDGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C1\C(=O)N(CCC#N)c2ccccc21	4604064	LJERWIDPGPDMOE-QLYXXIJNSA-N	419.441	1.271	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc(-c2ccccc2)n[nH]1	9156571	WUHQZHLXELVZOP-QGZVFWFLSA-N	403.442	1.886	50	40	HDGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc(C#N)cc1	13803732	IDTFAWFWDSTCBS-UFFVCSGVSA-N	419.430	1.987	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCOc2ccccc2)c1	15525536	GOSIZFOVPGBMIG-UHFFFAOYSA-N	419.503	1.947	50	40	HDGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)Cc2cnc(N)s2)cc1OC	100923151	WZIZAGINBUKGAC-FSJBWODESA-N	419.507	1.526	50	40	HDGB	
O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N/N=C/c1cc(Br)ccc1O	15920519	CJFVRBLGVUGJGJ-UFWORHAWSA-N	421.207	1.943	50	40	HDGB	
CCCn1c(=O)n(CC(=O)NNC(=O)CN2CCCc3ccccc32)c2ccccc21	21900227	HWMXHSLQYPGNLR-UHFFFAOYSA-N	421.501	1.813	50	40	HDGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1	409028574	PFDHNHLFMXWSDE-FYJGNVAPSA-N	417.487	1.952	50	40	HDGB	
COc1cc(C(=O)NNC(=S)NC(=O)c2ccccc2C)cc(OC)c1OC	2135491	YPQWJFBDNDFKGF-UHFFFAOYSA-N	403.460	1.970	50	40	HDGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@]12C(=O)N(CC(N)=O)c1ccccc12	4741514	RSLLNAIPPWKVOJ-QFIPXVFZSA-N	412.409	1.281	50	40	HDGB	
COc1ccc([C@H]2CC(=C3C(=O)N(C)C(=O)N(C)C3=O)NN2C(=O)CCl)cc1	5240977	WEZWGXGPJFOQDI-CYBMUJFWSA-N	406.826	1.017	50	40	HDGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1Cl	6945624	SPLXYQHCQGBXFO-ZDUSSCGKSA-N	404.810	1.629	50	40	HDGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OCC(N)=O	8781296	DLFADEVQGRCVDG-GOSISDBHSA-N	419.393	1.884	50	40	HDGB	
COc1ccc(N(CC(=O)N/N=C/c2sccc2C)S(C)(=O)=O)cc1OC	20211431	XHFHIJRSBQCINB-VCHYOVAHSA-N	411.505	1.990	50	40	HDGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)c1ccc([N+](=O)[O-])cc1	408689229	XZAIGRROPRWFMH-SLQSZJTJSA-N	424.203	1.892	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1I	8400279	NUZHYVZCXLMOGD-ZJUUUORDSA-N	416.215	1.943	50	40	HDGB	
Cc1cc(N2C[C@H](C(=O)NNC(=O)c3cccnc3)CC2=O)ccc1Br	32795478	KZPCAUREIGYBFX-CYBMUJFWSA-N	417.263	1.967	50	40	HDGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)nnn1-c1nonc1N	2318541	WWMQPVNZXQPJDV-UFWORHAWSA-N	423.349	1.473	50	40	HDGB	
CN(C)c1cccc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1	12555161	PJHPETXNJVORFR-UHFFFAOYSA-N	424.910	1.488	50	40	HDGB	
CCN(CC)S(=O)(=O)c1cc(C(=O)NNc2nc(C)cc(=O)[nH]2)ccc1Cl	12565978	OVVMVKWGXFRZDS-UHFFFAOYSA-N	413.887	1.519	50	40	HDGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cccc(CS(N)(=O)=O)c2)cc1	58305150	CKHGYCKHYAGOTN-ZDUSSCGKSA-N	421.475	1.102	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	409028105	HISVBPSEIQDMQT-LICLKQGHSA-N	421.391	1.419	50	40	HDGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2F)cc1	16321312	DCFMYHZGILJBNK-RGVLZGJSSA-N	406.439	1.555	50	40	HDGB	
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)CC(C)C	22519866	TYRUZUUEHSMFOD-AWEZNQCLSA-N	421.972	1.934	50	40	HDGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)cc(Cl)c1OCC(=O)OC	408995627	KIQHJJYDVTVHQI-JMIUGGIZSA-N	413.858	1.073	50	40	HDGB	
COc1c(O)cc(/C=N/NC(=O)c2cc(C)n[nH]2)cc1I	793636	QBBOFCFPMQVHIS-GIDUJCDVSA-N	400.176	1.801	50	40	HDGB	
COc1ccc(OC)c([C@H]2[C@@H]3CN(C(C)=O)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1	803651	XAPBDUQELSILHC-QUCCMNQESA-N	403.442	1.976	50	40	HDGB	
O=C(CNC(=O)[C@@H]1COc2ccccc2O1)N/N=C/c1ccc(Br)cc1	2338692	SACWATKKXWFFMN-BCUFPXHISA-N	418.247	1.855	50	40	HDGB	
COc1ccc(/C=N/NC(=O)C[C@@H]2C(=O)NN=C3c4ccccc4N=CN32)cc1OC	8878014	IEJGXIWLNUEFIR-BRUSPLQXSA-N	420.429	1.380	50	40	HDGB	
Cc1ccc(NC(=O)NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	408724356	CPTCJGKZNDUPJX-UHFFFAOYSA-N	414.470	1.002	50	40	HDGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)n[nH]1	5264411	HBIUMNYXABRNGF-UHFFFAOYSA-N	400.416	1.471	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(OC)ccc2OC)cc1	6544398	SZFFFJPFGCBBDH-UDWIEESQSA-N	421.475	1.483	50	40	HDGB	
COCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1	6579928	DSGMSBLYHOSLOB-FSJBWODESA-N	416.409	1.056	50	40	HDGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H]2CCCO2)c1	9378631	QNIGWGZIOKFEEH-QGZVFWFLSA-N	419.459	1.436	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1OC	14075077	ACEFHOHQFMCBLS-UHFFFAOYSA-N	421.400	1.953	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1cccc(Br)c1	20060517	FPGSSXFFHXHJML-CXUHLZMHSA-N	400.254	1.958	50	40	HDGB	
COc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(C)(=O)=O)cc1Cl	20213286	GGQABRQBPBKIQJ-UHFFFAOYSA-N	402.904	1.312	50	40	HDGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OC	409324484	UKFYEXAKFQEBPL-AFPJDJCSSA-N	421.837	1.994	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(=O)O	8991557	IJDDQFZJMUAWJQ-CDCQXCROSA-N	415.427	1.077	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O	408783250	NATVUSQDPFMJNH-RGVLZGJSSA-N	403.460	1.894	50	40	HDGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c2ccccc21	409338270	GXRBXOBMOIUQMT-HEHNFIMWSA-N	420.878	1.603	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)C[C@H]2C(=O)NN=C3c4ccccc4N=CN32)cc1	9469902	OVZKHGGDFDRNIA-KCDOPAPYSA-N	403.446	1.428	50	40	HDGB	
O=C(CCN1CCOCC1)NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1	19913020	NNDBWDFATDGSFI-JZJYNLBNSA-N	422.485	1.327	50	40	HDGB	
Cc1cc(Br)ccc1N1C[C@@H](C(=O)NNC(=O)c2cccnc2)CC1=O	32779909	SQYJAELYLMEYTK-ZDUSSCGKSA-N	417.263	1.967	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1	1221528	DCDTUCXOJYGOLG-UHFFFAOYSA-N	414.447	1.233	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)ccc1OCC(N)=O	6906893	TZOAOTFBRZKMNU-SFHVURJKSA-N	419.393	1.884	50	40	HDGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1cccc(C(=O)O)c1	9423167	GFPVXMLNGWHGOD-AQTBWJFISA-N	410.430	1.222	50	40	HDGB	
COC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1	20207274	LXGDHWVAQIJYHG-UDWIEESQSA-N	419.459	1.155	50	40	HDGB	
CN(CCOC(=O)CI)c1ccc([N+](=O)[O-])c2nonc12	5965627	BEDDXHFONHIYPB-UHFFFAOYSA-N	406.136	1.545	50	40	HDGB	
CCS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1cccc(Cl)c1	9457530	ADQBLGDZRLKGJX-KRWDZBQOSA-N	421.906	1.878	50	40	HDGB	
CC(C)[C@@H](NC(=O)C1CCCCC1)C(=O)NNC(=O)Cc1nc2ccccc2n1C	14343122	FOORMCCOGIRXLH-HXUWFJFHSA-N	413.522	1.984	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2O)cc1Cl	16187489	YIWZKQICSYDJBO-GRSHGNNSSA-N	411.867	1.825	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccco1	109280057	WXPMXDPQJTWDRQ-SXUYUPPPSA-N	419.191	1.657	50	40	HDGB	
O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	59483808	YBHOFNJKIJYQFI-KOEQRZSOSA-N	424.501	1.554	50	40	HDGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409026828	ZDQYFYOYSQNFOP-XDHOZWIPSA-N	419.463	1.577	50	40	HDGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(F)(F)F)c32)ccc1OCC(N)=O	803837	YJBDULXIIIUTCR-LBPRGKRZSA-N	409.324	1.519	50	40	HDGB	
O=C(NNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O)c1ccccn1	9500056	ASVDFGLCHMUEIS-LJQANCHMSA-N	414.421	1.750	50	40	HDGB	
O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	15900633	CYNAJNBFRWPPKH-LJFANBARSA-N	401.507	1.916	50	40	HDGB	
COc1cc(/C=N/NC(=O)C2(C)OCCO2)cc(I)c1OC	408727519	SSYOGGLHYRFJHD-LZYBPNLTSA-N	420.203	1.522	50	40	HDGB	
C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12	5827613	BHYFVBHRSANVIC-WYMLVPIESA-N	416.459	1.650	50	40	HDGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1	12850412	RITZRPLENGFPKR-PXLXIMEGSA-N	412.471	1.733	50	40	HDGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\C1=Cc2ccccc2OC1	13810876	FGURFCAZBMEGHH-SLHXSTLSSA-N	410.451	1.785	50	40	HDGB	
NC(N)=NS(=O)(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)cc1	16429565	YJKCDDAAVMVADU-JJFYIABZSA-N	412.431	1.068	50	40	HDGB	
CCOC(=O)COc1cc(/C=N\NC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1OC	409207914	CNDJFHUKOAJVAW-ZBKNUEDVSA-N	419.394	1.201	50	40	HDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1	409262370	IDWSNGBWIYBHCR-HUSFYUSLSA-N	410.474	1.747	50	40	HDGB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(N)=O)C1	5529652	QKEZNYBUJZWOHE-GWQWUEFDSA-N	409.446	1.175	50	40	HDGB	
CCCCNC(=O)NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	7348404	GQLWGIYSFKNDDL-CQSZACIVSA-N	402.904	1.624	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/[C@@H]2CC=CCC2)c1-c1ccc([N+](=O)[O-])cc1	9360865	MZHVVRKGIWHDGX-JZOCJUILSA-N	423.393	1.880	50	40	HDGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@]12C(=O)Nc1c(C)cccc12	12955485	WROCFZXZPAOEOL-QFIPXVFZSA-N	423.425	1.846	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1ccc(Cl)cc1	19954363	DLYNDQIEOILDPK-VXLYETTFSA-N	409.851	1.955	50	40	HDGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc([N+](=O)[O-])c1	35077780	QRFLJTDXPHWPRS-UYRXBGFRSA-N	404.448	1.549	50	40	HDGB	
COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)c2ccccc21	1295279	MNZDJLGZRXCKOM-OAQYLSRUSA-N	411.414	1.394	50	40	HDGB	
N#CCCN1C(=O)/C(=N\NC(=O)CNC(=O)c2ccccc2Cl)c2ccccc21	6140313	DCMABMWKYNYSGX-BWAHOGKJSA-N	409.833	1.851	50	40	HDGB	
COCCNC(=S)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	6146380	BHMSWXSDPASITD-UHFFFAOYSA-N	414.534	1.304	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)n1	6549493	AWWIYLVNCINQDZ-UHFFFAOYSA-N	400.439	1.860	50	40	HDGB	
O=C(NNC(=O)c1cccs1)N[C@@H]1CCCN1S(=O)(=O)c1ccccc1F	16789716	RENSPWOLTWSDKA-AWEZNQCLSA-N	412.468	1.642	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3cccs3)CC2)cc1	35442326	BWXKFDWUKZLTSD-CPNJWEJPSA-N	406.533	1.513	50	40	HDGB	
N#Cc1ccc(Nc2nc(C3CCN(Cc4ccc(B(O)O)cc4)CC3)cs2)cn1	585293908	BSSLXVPYIFKBDF-UHFFFAOYSA-N	419.319	2.213	50	40	HDGB	
CCn1c(O)c(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(=O)c2ccccc21	5432370	QUFCRDLTNISRLY-UHFFFAOYSA-N	401.444	1.659	50	40	HDGB	
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1nc2ccccc2c(=O)[nH]1	6147370	NXQSUBGWILDWFF-UHFFFAOYSA-N	412.203	1.772	50	40	HDGB	
C[C@@]1(C2CC2)NC(=O)N(CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)C1=O	23121525	LRNHOWXONLPEFX-OYNODLEVSA-N	402.495	1.461	50	40	HDGB	
CCN(C(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1	34687942	AEZLXFCSAVPTTI-IZNAZMGOSA-N	406.460	1.181	50	40	HDGB	
Cn1c(=O)c2c(nc(-c3ccc(N(CCCl)CCCl)cc3)n2C)n(C)c1=O	66112771	CRRHPMWWYISIHP-UHFFFAOYSA-N	410.305	1.922	50	40	HDGB	
N#Cc1cn(CCNC(=O)NNC(=O)c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	3272944	XZEQWVGUZBCUSV-UHFFFAOYSA-N	419.401	1.974	50	40	HDGB	
C[C@H]1C[C@@H](N(C(=O)Nc2cccc(Cl)c2)N(C)C)[C@@]2(C#N)C(=O)N=C(N)[C@]12C#N	5534332	FVDDNPDEXUWISJ-JDOFDTTRSA-N	413.869	1.976	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccnc1)c1ccccc1Br	20214114	PTUXISGSMOPUEI-VCHYOVAHSA-N	411.281	1.760	50	40	HDGB	
C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC(=O)NNC(=O)c1ccccn1	30671577	XJZODVKCBQRETH-OAQYLSRUSA-N	407.430	1.232	50	40	HDGB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1cccnc1	5376068	FRTNNQUOPWIWDK-KPKJPENVSA-N	404.498	1.806	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1O	408768352	FIUOHXCZJBMOJS-RGVLZGJSSA-N	405.476	1.934	50	40	HDGB	
COc1ccc(C(=O)NN[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC	2656262	ZORRFKATFOTLII-CQSZACIVSA-N	414.374	1.179	50	40	HDGB	
CCOc1ccccc1C(=O)NCC(=O)NNC(=O)Cc1nc2ccccc2n1C	6648159	AWSNYVMMNJSBKP-UHFFFAOYSA-N	409.446	1.092	50	40	HDGB	
O=C(NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccc(OC[C@@H]2CCCO2)cc1	6651454	AKLSOVQCTKVHHL-HNNXBMFYSA-N	408.414	1.556	50	40	HDGB	
CCN(CC)Cc1c(C(=O)N/N=C(\C)c2ccc(C)cc2)nnn1-c1nonc1N	9019685	MDTVBPLSYGTHDD-FYJGNVAPSA-N	411.470	1.537	50	40	HDGB	
COc1ccccc1NC(=S)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	3374598	RVIKILRYDUFBKY-UHFFFAOYSA-N	409.471	1.983	50	40	HDGB	
O=C(N/N=C/c1cccc(OCC(=O)N2CCCC2)c1)C(=O)Nc1ccccc1F	5070275	IZORWGLCUWPCLN-YDZHTSKRSA-N	412.421	1.916	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1[N+](=O)[O-]	20207340	LGEJDPMDEDOGJG-WOJGMQOQSA-N	406.420	1.520	50	40	HDGB	
CSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1	28287058	LDEFECCIKNJPND-UHFFFAOYSA-N	412.225	1.944	50	40	HDGB	
O=C1[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ncccn1	100567701	PADHABJMXCQDJV-CZGZKWGZSA-N	401.058	1.759	50	40	HDGB	
Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CCl)n2CCCc1ccccc1	842286	LQOLEKMXIGUWOA-CYBMUJFWSA-N	408.911	1.748	50	40	HDGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccoc2)c1CSc1ccccc1	2369301	BHMNBXRQXOOMAC-UFWORHAWSA-N	410.419	1.882	50	40	HDGB	
CC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	2634521	OYOAOWGSJCULMA-UHFFFAOYSA-N	400.347	1.171	50	40	HDGB	
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1Cl	13511477	BOYRZSVYIZBZCG-NTEUORMPSA-N	416.796	1.876	50	40	HDGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NNC(=O)c1ccccc1O	16693844	PBZGFPMNFVFMPX-PDGQHHTCSA-N	402.410	1.920	50	40	HDGB	
CCOc1ccccc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	3204446	JOEJPTCXPNVNFV-RCCKNPSSSA-N	417.487	1.870	50	40	HDGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc([N+](=O)[O-])s1	5688856	BOOYMSPXBOZVEG-UHFFFAOYSA-N	403.464	1.630	50	40	HDGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cn2ncc(=O)c3ccccc32)cc1	12754578	XCUUXPTZRJWBDU-UHFFFAOYSA-N	408.458	1.920	50	40	HDGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(C)c2)c1	33915760	ZHUKXDYDFSFJRG-NDENLUEZSA-N	405.476	1.783	50	40	HDGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2OC)cc1	58873026	VPXWOGUTQFURLR-OYKKKHCWSA-N	424.457	1.855	50	40	HDGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1	408789192	KNUSRASCRGKTTK-RGVLZGJSSA-N	407.423	1.667	50	40	HDGB	
COC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)c2ccccc21	1295278	MNZDJLGZRXCKOM-NRFANRHFSA-N	411.414	1.394	50	40	HDGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccccc2)c2ccccc21	4910093	GQZNCDKEYLQIOS-QLYXXIJNSA-N	403.442	1.516	50	40	HDGB	
C=CCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21	5578463	ZHJBLHFGEWINPP-DAFNUICNSA-N	406.442	1.407	50	40	HDGB	
COc1ccc2c(CC(=O)NNC(=O)c3nn(C)c(=O)c4ccccc34)coc2c1	6237468	IMSYZJLBXGPHHI-UHFFFAOYSA-N	406.398	1.692	50	40	HDGB	
COc1cc(/C(C)=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(OC)c1OC	8337756	OBFQASONUUMJPC-FYJGNVAPSA-N	410.434	1.906	50	40	HDGB	
O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)Cc1c[nH]c2ccccc12	9218765	APEMKKGCRDCBTF-UHFFFAOYSA-N	406.489	1.288	50	40	HDGB	
COC(=O)Cc1[nH]nc2c1[C@@H](c1cc(OC)c3c(c1OC)OCO3)C(C#N)=C(N)O2	15106299	CJJYJGJJWFBABR-ZDUSSCGKSA-N	414.374	1.089	50	40	HDGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccccc1C(=O)O)S(C)(=O)=O	408783892	OUFLRPDGLDODMT-UDWIEESQSA-N	403.460	1.864	50	40	HDGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccnc3)c(C)c(C#N)c2=O)cc1	409075198	XGXPGDZYUDGDSK-CFRMEGHHSA-N	402.414	1.970	50	40	HDGB	
Cc1cccc(OCC(=O)NCC(=O)N/N=C2\C(=O)N(C(C)C)c3ccccc32)c1	6200281	XIDHSEXRWGRYGH-DAFNUICNSA-N	408.458	1.766	50	40	HDGB	
C[C@H](Sc1ccccc1)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1	12986827	QAGPCTKZRFKWLW-ZDUSSCGKSA-N	407.517	1.879	50	40	HDGB	
COc1cccc(-c2csc(N3CCN(CC(=O)NNC(=O)C(C)C)CC3)n2)c1	36235019	YBHJHKRTPOSVHC-UHFFFAOYSA-N	417.535	1.744	50	40	HDGB	
CCN(CC)[C@H](C(=O)NNC(=O)C(=O)NC1CC1)c1cc(Cl)cc(Cl)c1	84771141	WBYSMKHYZCGYKN-AWEZNQCLSA-N	401.294	1.802	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN2CCOCC2)cc1I	408735152	KLDSASMAIWBRLO-CXUHLZMHSA-N	403.220	1.082	50	40	HDGB	
COc1ccccc1C(=O)N/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O	408763856	KTQSOGRBACTMNN-ZGFXFUDXSA-N	410.455	1.783	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(Cl)c1	6953963	YVEADDQECJFUIA-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
CCOC(=O)/C=C/C(=O)NNC(=O)c1ccc(OC)c(I)c1	12403974	RCCGMFGZDIGAFA-VOTSOKGWSA-N	418.187	1.180	50	40	HDGB	
C/C(=N\NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	15231246	FVTQASGLVUDUEM-FYJGNVAPSA-N	421.450	1.903	50	40	HDGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)c1	20356395	CMIAJFQAWXMZBH-HXUWFJFHSA-N	422.485	1.716	50	40	HDGB	
CCCN1C(=O)/C(=N\NC(=O)CNC(=O)[C@@H]2COc3ccccc3O2)c2ccccc21	1306622	NPFGWAYRIXMPAY-IHCLVQKISA-N	422.441	1.220	50	40	HDGB	
COCCCNC(=O)CC(=O)N/N=C/c1cc2c(cc1Br)OCO2	5511646	LQVZMWYAUYWTLF-QGMBQPNBSA-N	400.229	1.171	50	40	HDGB	
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)c2ccccn2)cc1	8198075	ZJBQYIKJLVBKFV-KRWDZBQOSA-N	404.492	1.544	50	40	HDGB	
CCOc1ccccc1/C=N/NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1	6539550	RKWGARHEBYUKHV-UDWIEESQSA-N	421.475	1.531	50	40	HDGB	
O=C(CNC(=O)c1ccncc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	17860057	ZEQOLUVIEPOCJY-MEFGMAGPSA-N	413.437	1.879	50	40	HDGB	
Cc1cccc(C)c1N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)S(C)(=O)=O	19955457	FAYNSZTZNLIIKG-UHFFFAOYSA-N	400.460	1.542	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c(OC)c1OC	409121562	YLWFQKPQGCPJQQ-UDWIEESQSA-N	421.475	1.872	50	40	HDGB	
Cc1c(C(=O)NC(=S)NNC(=O)COc2ccc(C#N)cc2)cccc1[N+](=O)[O-]	9440810	GQUWBGQKPGUNGN-UHFFFAOYSA-N	413.415	1.489	50	40	HDGB	
O=C(NNC(=O)c1ccc(Br)s1)c1csc(N2CCOCC2)n1	12802454	DGBLWMMFTCIQRZ-UHFFFAOYSA-N	417.310	1.879	50	40	HDGB	
Cc1nn(C)c(C)c1CC(=O)NNC(=O)Cn1c(C(F)(F)F)nc2ccccc21	10054770	VNCFZRDTGMDJOC-UHFFFAOYSA-N	408.384	1.796	50	40	HDGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccco1	109280049	WXPMXDPQJTWDRQ-SUDUWZNWSA-N	419.191	1.657	50	40	HDGB	
COc1ccc([C@H](CNC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2Cl)N2CCCC2)cc1	575422783	OHFBTMAVHZDGPS-ULQDDVLXSA-N	415.943	1.536	50	40	HDGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1CN1C(=O)CNC1=O	10415340	DVLLHAFMRCMRKM-UHFFFAOYSA-N	405.414	1.223	50	40	HDGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCc2ccccc2)cc1	58873005	AIJGXWHORCDKTD-MYYYXRDXSA-N	408.458	1.524	50	40	HDGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1OC	59516073	UDCNEJIQGPWRIT-LPYMAVHISA-N	414.418	1.811	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)c1ccccc1O	408529219	CKXFTGKYORVYET-QOJWJBQSSA-N	400.778	1.660	50	40	HDGB	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)c1	408773679	SWTBXNAPGNNHNI-KEBDBYFISA-N	403.460	1.948	50	40	HDGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)NCc2ccccc2)c1	409251429	PQUQSHLERXOPBJ-HUSFYUSLSA-N	410.474	1.747	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccncc2)nnn1-c1nonc1N)c1ccccc1	2404907	QHHIOZKTHVGUBW-SSDVNMTOSA-N	418.421	1.028	50	40	HDGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)Cc2ccccc2Cl)cc1	8353056	GCDMTHYBUGGURM-UHFFFAOYSA-N	409.895	1.659	50	40	HDGB	
O=C(CSc1nncn1-c1ccccc1)NNC(=O)[C@@H]1COc2ccccc2O1	11426555	WVGNWJGUCNDSBW-INIZCTEOSA-N	411.443	1.347	50	40	HDGB	
O=C(CSc1nncn1-c1ccccc1)NNC(=O)[C@H]1COc2ccccc2O1	11426560	WVGNWJGUCNDSBW-MRXNPFEDSA-N	411.443	1.347	50	40	HDGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCCO2	12985503	OTRYOTOOLVIODK-ZDUSSCGKSA-N	415.833	1.925	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)c1ccc(F)cc1	20211879	OAHGCZOHMHFBBM-CIAFOILYSA-N	404.423	1.644	50	40	HDGB	
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	408973183	JPFIQFFBEYOXPQ-FBCYGCLPSA-N	413.325	1.266	50	40	HDGB	
Cn1cc([N+](=O)[O-])c(C(=O)NNC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)n1	2751766	YDOMYXZXDPVANX-UHFFFAOYSA-N	403.786	1.301	50	40	HDGB	
CNC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1	3771939	GHZRQDCZBOWBQR-AWEZNQCLSA-N	414.418	1.207	50	40	HDGB	
C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1	14232666	WMTXORNCQXUZQW-UHFFFAOYSA-N	423.878	1.644	50	40	HDGB	
Cn1/c(=N/NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)sc2ccccc21	14359960	LYPNWZBRRKSYHA-RSAFUCTRSA-N	424.482	1.996	50	40	HDGB	
Cc1sc2ncn(CC(=O)N/N=C/c3ccc(O)c([N+](=O)[O-])c3)c(=O)c2c1C	36075001	MTCABQNKPJBBTO-KPSZGOFPSA-N	401.404	1.839	50	40	HDGB	
CCOC(=O)CCC(=O)NNC(=O)c1ccc(OC)c(I)c1	8399021	OMNGQRWOOUWKGP-UHFFFAOYSA-N	420.203	1.404	50	40	HDGB	
O=C(N/N=C/C1=Cc2cc(Br)ccc2OC1)N[C@@H]1CCS(=O)(=O)C1	63420689	ANOWEBPFHQCXOY-JYINPYMRSA-N	414.281	1.697	50	40	HDGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)CN2CCOCC2)cc1OCC	13111167	GCVJWKDLOOBZOI-UDWIEESQSA-N	424.295	1.642	50	40	HDGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O	15938652	YLUCSCVYBCAEQY-YVIPRSKRSA-N	402.794	1.934	50	40	HDGB	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)C(Cl)Cl)s2)ccc1O	408730902	JYSJXDQHVUIJFS-UBKPWBPPSA-N	418.262	1.687	50	40	HDGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)[C@@H]1C(=O)NC[C@@H]1c1ccccc1	4721377	VOGDWNFGMAKPSN-QUAIWURQSA-N	403.442	1.866	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc2c(c1)OCCO2	12985506	OTRYOTOOLVIODK-CYBMUJFWSA-N	415.833	1.925	50	40	HDGB	
COCCNC(=O)/C(C#N)=C/c1cc(I)c(O)c(OC)c1	408807960	IOIXEIIVGGSBKO-BJMVGYQFSA-N	402.188	1.675	50	40	HDGB	
O=C(NN/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O)c1ccccc1O	2240765	ZTLLMMYUOFSARX-PKNBQFBNSA-N	400.391	1.938	50	40	HDGB	
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)Cc2ccccc2)cc1	11594372	GHVFDXVBLIFAMV-SFHVURJKSA-N	417.487	1.238	50	40	HDGB	
COC(=O)Cc1[nH]nc2c1[C@H](c1cc(OC)c3c(c1OC)OCO3)C(C#N)=C(N)O2	15106296	CJJYJGJJWFBABR-CYBMUJFWSA-N	414.374	1.089	50	40	HDGB	
Cc1ccc(NC(=O)[C@@H]2CCCN(CC(=O)NNC(=O)c3cccc(C#N)c3)C2)nc1	84191564	ICFMTIMVRICCQV-GOSISDBHSA-N	420.473	1.373	50	40	HDGB	
COc1cccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)c1	102676012	VTAYKEYTTWWQTM-FBJMNJBLSA-N	401.444	1.387	50	40	HDGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1	951112	QINLNDJDLHROMG-NTEUORMPSA-N	420.377	1.977	50	40	HDGB	
N#C/C(=C\c1c(N2CCCCC2)nc2ccccn2c1=O)C(=O)NC[C@H]1CCCO1	2199883	YGGFPGDNPHXASC-HJUDDPQBSA-N	407.474	1.887	50	40	HDGB	
CCOC(=O)[C@H]1CCCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)NC)C1	5023118	UNHKQRCUJPVGJH-KFXIKWRMSA-N	423.473	1.435	50	40	HDGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1cccc(F)c1)C(C#N)=C(N)O2	19859306	VZQCPZQQDRXIPS-IBGZPJMESA-N	410.449	1.846	50	40	HDGB	
COc1ccc(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)c(OC)c1	101312799	FJLWIBJGDZUZGT-PQONFGHASA-N	404.897	1.544	50	40	HDGB	
CC(C)OC(=O)C1=c2s/c(=C\c3ccco3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccco1	1825276	IAMGFXQPRZCCET-QOBZYLRHSA-N	423.450	1.475	50	40	HDGB	
O=C1NC(=O)C(C[C@H](Br)CBr)(c2ccccc2)C(=O)N1	2028281	OCUQAOIQMCIHNR-VIFPVBQESA-N	404.058	1.839	50	40	HDGB	
COC(=O)CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3ccccc32)C(C(=O)OC(C)C)=C1C	4517094	RZCNVAHECNZDQH-NRFANRHFSA-N	411.414	1.251	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1	8091868	OYLLZZHQAMXSPN-LSHDLFTRSA-N	418.837	1.562	50	40	HDGB	
CC(C)Oc1ccc(C(=O)NCC(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1	12893375	SMMCXKGSWUBCQB-UHFFFAOYSA-N	413.430	1.436	50	40	HDGB	
C=CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1	21969846	OUBUFBBJWKNZAD-UHFFFAOYSA-N	412.471	1.636	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)c3ccoc3C)C2)s1	30810754	LCUPPPKLQXYUIA-CYBMUJFWSA-N	411.505	1.820	50	40	HDGB	
C#CCOc1cc(Br)c(/C=N\NC(=O)CN2CCOCC2)cc1OC	34714473	WWXIYYNPYWNNAK-ODLFYWEKSA-N	410.268	1.252	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC	408786517	RVLANEFZGDRDHA-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
COc1ccc(/C=N/NC(=O)c2[nH]ncc2I)cc1OC	4714316	MPPCWKYWVWTTGX-GIDUJCDVSA-N	400.176	1.795	50	40	HDGB	
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CS)C(=O)NN	4773113	CTSFJLGVDUGQSN-LSDHHAIUSA-N	421.523	1.008	50	40	HDGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN(C)C)c(=O)c32)c(OC)c1	5064872	SLRSACWCKHQWBH-IBGZPJMESA-N	410.474	1.954	50	40	HDGB	
N#Cc1ccc(NC(=O)COCC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1	9850399	QQAPFWNXFGCUMF-UHFFFAOYSA-N	420.347	1.993	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNC(=O)CNC(=O)c2sc3ccccc3c2Cl)n1	12666578	BITMCZZKSDSDRE-UHFFFAOYSA-N	419.894	1.945	50	40	HDGB	
COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1OCC(=O)NCc1ccccc1	408612248	USSSQGOIDAZDLY-ZMOGYAJESA-N	424.457	1.119	50	40	HDGB	
COc1ccc(C(=O)NNC(=O)c2ccc(C)cc2)cc1S(=O)(=O)N1CCCC1	3432686	JKIAYQSTVJODGX-UHFFFAOYSA-N	417.487	1.863	50	40	HDGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)NCc1ccccc1	6647931	VINISTXIBWFCIT-MFKUBSTISA-N	410.474	1.748	50	40	HDGB	
CCOc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2)cc1	7939961	UALKYMWAPVRJIP-UHFFFAOYSA-N	413.430	1.808	50	40	HDGB	
CCCCn1c(=O)[nH]c(=O)c2cc(C(=O)NNC(=O)c3ccc(Cl)cc3)cnc21	40143207	WFYMXSJPSFRVCQ-UHFFFAOYSA-N	415.837	1.613	50	40	HDGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@@]2(C)O3)cc1	409376915	BUWINJYPZLSSSG-VWEBPMOJSA-N	415.446	1.477	50	40	HDGB	
CN(NC(=O)CCN1C(=O)CSc2ccccc21)c1cnn(C)c(=O)c1Cl	40155334	HAFKGJXMOGTFBN-UHFFFAOYSA-N	407.883	1.430	50	40	HDGB	
O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccc(Br)cc1	863639	QOJPBHQTQRHIIX-UHFFFAOYSA-N	401.224	1.564	50	40	HDGB	
CN(C)N(C(=O)c1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1	5108967	RHTWJAZKPXUMKB-GFCCVEGCSA-N	408.261	1.397	50	40	HDGB	
COc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)cc1	6327613	LLXGKEZLWOGMIQ-WSDLNYQXSA-N	412.446	1.687	50	40	HDGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc2c1OCCO2)c1ccccc1F	20211767	BSVITCZUTFLIOK-RGVLZGJSSA-N	407.423	1.513	50	40	HDGB	
O=C1[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1C[C@H]1CCCO1	100800996	ASXVCDWGBDBHTH-HSBJXMDPSA-N	407.102	1.943	50	40	HDGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(C)cc1	6537844	SHGRLGBWCQBQFW-FSJBWODESA-N	412.446	1.607	50	40	HDGB	
CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccncc2)c1	12849235	DXBDXNYPFBHHNT-UHFFFAOYSA-N	410.455	1.982	50	40	HDGB	
O=C(Cc1csc(N2CCOCC2)n1)NNC(=O)[C@H]1CCCc2ccccc21	40069664	VNAISRYTAJCYBL-KRWDZBQOSA-N	400.504	1.790	50	40	HDGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1cccc(S(=O)(=O)N2CCOCC2)c1	6528529	QOBCLZZGUBKQLK-DEDYPNTBSA-N	417.443	1.170	50	40	HDGB	
COc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1	8036961	OHPMHASOAWKZRW-OAHLLOKOSA-N	411.414	1.053	50	40	HDGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1cc(F)ccc1F	12933272	YLVXJNFHTNEFTB-UHFFFAOYSA-N	418.447	1.190	50	40	HDGB	
Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/CCc1ccccc1	25781713	UWZOMWSJBUBTDM-SSDVNMTOSA-N	423.481	1.567	50	40	HDGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(C)cc1	409263304	BOWYZXCBPISUSS-FSJBWODESA-N	424.457	1.750	50	40	HDGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccccc2)cc1	6647850	NQBLUWMGHJRSFG-MFKUBSTISA-N	410.474	1.748	50	40	HDGB	
Cc1cc2c(c(=O)n1C[C@H]1CCCO1)[C@@]1(C(=O)Nc3ccccc31)C(C#N)=C(N)O2	9355626	KGYOHAIADIWNAS-DMZKTXOQSA-N	404.426	1.660	50	40	HDGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c(OC)c1	20060242	MFGFINIZGVDMES-UDWIEESQSA-N	405.476	1.929	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)c3cccnc3)C2)s1	30857934	KTGKFUKXTYNTMT-AWEZNQCLSA-N	408.505	1.313	50	40	HDGB	
N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)C(=O)N1CCOCC1	4995961	AJUHYDZOXKVBCY-BMRADRMJSA-N	407.474	1.841	50	40	HDGB	
Cn1nnnc1SCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1	12766028	AOEBVSXMWOPZNK-UHFFFAOYSA-N	417.476	1.077	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NNC(=O)Cc2ccccc2)cc1	12858152	WLIAHALSJCNURB-LJQANCHMSA-N	415.515	1.928	50	40	HDGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	16694118	CSYIGZGEYVKWCX-ZROIWOOFSA-N	415.456	1.736	50	40	HDGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCC[C@H]1C)c1ccncc1	25782038	USPDRFBYMMCRMD-JEHRSMSHSA-N	424.469	1.156	50	40	HDGB	
O=C(NCCc1ccccc1)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1	409152044	DHYGWOJVMVEDHX-PCLIKHOPSA-N	422.485	1.497	50	40	HDGB	
CNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	409172853	GCMFRDHXSNJHIV-YSURURNPSA-N	422.363	1.919	50	40	HDGB	
Cc1cc(C)n(CC(=O)NNS(=O)(=O)c2cc(Br)ccc2C)n1	7421054	QCVLRMINNYKNND-UHFFFAOYSA-N	401.286	1.581	50	40	HDGB	
O=C(Cc1ccccc1)NNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	7652772	VSGAPMRAGCPYJK-UHFFFAOYSA-N	413.455	1.762	50	40	HDGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)NNC(=O)c1ccccc1	8036457	DRGXIBNRTGGYAV-AWEZNQCLSA-N	415.833	1.697	50	40	HDGB	
Cn1c(CC(=O)NNC(=O)[C@@H]2CCCN2C(=O)c2cccs2)nc2ccccc21	9909646	CUTISUANKIVFIP-HNNXBMFYSA-N	411.487	1.630	50	40	HDGB	
COc1ccc(CCN2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	101302917	CRRHYZXENZAUKK-QJGXAYKQSA-N	402.925	1.574	50	40	HDGB	
CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	5719578	PGQWJDXAGOMHKO-UHFFFAOYSA-N	405.520	1.914	50	40	HDGB	
COc1cccc(N2C(=O)C[C@H](NNC(=O)c3cncc(Br)c3)C2=O)c1	1073458	PAEXXSUUSBDXHJ-AWEZNQCLSA-N	419.235	1.419	50	40	HDGB	
CN(C)N(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)[C@H]1CCS(=O)(=O)C1	25042856	VZVKGWBSDIMFLF-LBPRGKRZSA-N	401.872	1.130	50	40	HDGB	
CN1C(=O)/C(=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c2ccccc21	409344288	ISVGCZDQVBNRGU-HEHNFIMWSA-N	420.878	1.603	50	40	HDGB	
COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc(OC)c1OC	2352893	DVPLXOPXAYVFCK-CQSZACIVSA-N	413.430	1.587	50	40	HDGB	
C=CCOC(=O)C1=C(C)N(CC(=O)OCC)C(=O)[C@]12C(C#N)=C(N)Oc1ccccc12	6546464	YVUSDIKRYHSYQZ-JOCHJYFZSA-N	423.425	1.419	50	40	HDGB	
CCOc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	32654868	YYEXHZKHLAQOOF-ADFUCPMPSA-N	400.456	1.865	50	40	HDGB	
NNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1	33672246	FIISPDDPXXEXIK-UHFFFAOYSA-N	400.254	1.619	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1ccccc1)N1[C@H]3C(=O)OC(=O)[C@@H]3[C@H](c3ccccc3)N21	100494465	KWFYDQPIDCQJLO-CKYTUPMTSA-N	404.378	1.152	50	40	HDGB	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN/C(C)=C1\C(=O)C=C(C)OC1=O	227173189	QMDVFMBXUBBKML-MIQLPHMESA-N	410.430	1.140	50	40	HDGB	
Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)c1	408658864	RRLNEPRDRKXBHU-KRWDZBQOSA-N	409.442	1.661	50	40	HDGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409165052	RSZCPAGLEZCXNV-ZMOGYAJESA-N	424.457	1.773	50	40	HDGB	
O=C(NNc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(Cl)cc1	842937	XWAYZKTVCLCJMV-UHFFFAOYSA-N	418.885	1.560	50	40	HDGB	
C=CCN1C(=O)[C@]2(C(C#N)=C(N)OC(CC(=O)OC)=C2C(=O)OC)c2ccccc21	989152	DWXIMGAWSFIUQJ-NRFANRHFSA-N	409.398	1.171	50	40	HDGB	
N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1	5656412	YCMISKSVFWHEFV-UHFFFAOYSA-N	409.402	1.907	50	40	HDGB	
COc1cc(/C=C/C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1OC	6310513	WYTMHEDINAXFEK-GFOMBABLSA-N	414.414	1.713	50	40	HDGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1Cl	6953983	CFBJEUHUIJATES-SSDVNMTOSA-N	402.838	1.944	50	40	HDGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)Cn1cc(C(F)(F)F)ccc1=O	22648771	ISEGORNQTFLQEM-SNVBAGLBSA-N	401.316	1.621	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3sccc3C)CC2)cc1	35447250	GBRXOCDXGBTVKA-DEDYPNTBSA-N	420.560	1.822	50	40	HDGB	
CCN1CCN(S(=O)(=O)C[C@]2(C)[C@H]3CC[C@]2(C)C(=O)[C@@H]3Br)CC1	35569251	FYPXPXUQTCUDRK-SJXGUFTOSA-N	407.374	1.723	50	40	HDGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N3CCCC3)cc2)cc1	58874026	WCSDHUXNCUOVIF-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
CC(C)CNC(=O)COc1ccc(/C=N\NC(=O)C(=O)NCCc2ccccc2)cc1	223163606	OHOQYNOVTWFPNO-YSMPRRRNSA-N	424.501	1.647	50	40	HDGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1	409152164	DOAZIXAKVBKEFW-OEAKJJBVSA-N	424.457	1.785	50	40	HDGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@@H](O)c2ccccc2)c2cc(Br)ccc21	5624542	PYANGCNYMDLSHP-QFGIDJEJSA-N	412.243	1.983	50	40	HDGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)cc1	19954880	LNBYCFPEWUTFCY-UDWIEESQSA-N	421.475	1.716	50	40	HDGB	
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OCC(=O)/C(C#N)=C(/C)N)C(C)C)c1	103135669	RPHWZKDSIKNVQQ-XSVZSIDJSA-N	403.435	1.327	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccsc2)nnn1-c1nonc1N)c1ccccc1	2404693	SOLYLZNAVBOCFK-AWQFTUOYSA-N	423.462	1.694	50	40	HDGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(F)cc3)CC2)cc1	30750276	ULCOOQVZPFXGMP-HMAPJEAMSA-N	418.494	1.591	50	40	HDGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H](c1ccccc1)N1[C@@H]3C(=O)OC(=O)[C@H]3[C@H](c3ccccc3)N21	239338638	KWFYDQPIDCQJLO-QQCJEOGWSA-N	404.378	1.152	50	40	HDGB	
CCOP(=O)(CC(=O)NN[C@@H]1OC(=O)c2c1ccc(OC)c2OC)OCC	2406898	FJXFQUKSTJNBCM-OAHLLOKOSA-N	402.340	1.760	50	40	HDGB	
O=C(N/N=C/c1ccc(O)c(O)c1O)c1cccc(S(=O)(=O)N2CCCC2)c1	8340636	UOXUIOPOAWUKNU-YBFXNURJSA-N	405.432	1.352	50	40	HDGB	
Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	8433858	PSPIBAFFLFRONN-QGZVFWFLSA-N	409.442	1.661	50	40	HDGB	
COc1cccc(-c2c(C(=O)N/N=C/c3cccc(F)c3)nnn2-c2nonc2N)c1	9308379	UJWCDHDZUXTHIZ-LSHDLFTRSA-N	422.380	1.811	50	40	HDGB	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@H]2C1	19852129	JIXQAZVNBFSOSA-PZJWPPBQSA-N	416.485	1.684	50	40	HDGB	
O=C(Cc1csc(N2CCOCC2)n1)NNC(=O)[C@@H]1CCCc2ccccc21	40069665	VNAISRYTAJCYBL-QGZVFWFLSA-N	400.504	1.790	50	40	HDGB	
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	1558300	IPFKXCPJNROMBP-IRXDYDNUSA-N	417.510	1.734	50	40	HDGB	
CN(Cc1c(C(=O)N/N=C/c2ccco2)nnn1-c1nonc1N)C1CCCCC1	2446308	RZUZYGZLJTUJKH-KEBDBYFISA-N	413.442	1.354	50	40	HDGB	
O=C(O)COc1ccccc1/C=N/NC(=O)CCN1CCN(c2ccccc2)CC1	6369322	FIPDDDORRGCBSU-XQNSMLJCSA-N	410.474	1.812	50	40	HDGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(OC)c2O)cc1	6544546	ISWOFQLXMXRZOE-YBFXNURJSA-N	407.448	1.180	50	40	HDGB	
N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3cccc(B(O)O)c3)n2)cn1	585294274	PEPGTGVFHCXUBC-HXUWFJFHSA-N	400.251	1.504	50	40	HDGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	15708657	RGIKMPKMBWITDH-UHFFFAOYSA-N	412.833	1.836	50	40	HDGB	
O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)c1ccco1	24259611	AGZCQWVNJASPNV-SECBINFHSA-N	403.869	1.609	50	40	HDGB	
O=C(NNC(=O)C1CC1)C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1	20365847	LRVDAIFOOKAUPW-VIFPVBQESA-N	405.764	1.868	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)c1OC	408779173	BITNJTZYJWNGQF-RGVLZGJSSA-N	409.439	1.759	50	40	HDGB	
O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1O	4857655	FXKJZBQIUZYRAB-UKTHLTGXSA-N	400.778	1.447	50	40	HDGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)cc1	13009551	SGDYNIHXDPEMBZ-UHFFFAOYSA-N	400.460	1.909	50	40	HDGB	
CCn1c(NNC(=O)CCNC(=O)NC2CCCCC2)nc2ccccc2c1=O	29861062	JOWZGAMQJZCUOT-UHFFFAOYSA-N	400.483	1.882	50	40	HDGB	
O=C(NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CC1	1347211	HNNLXBNEBGDRSU-QGZVFWFLSA-N	401.488	1.798	50	40	HDGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	2541998	VSGKQPMDATWDJK-SSDVNMTOSA-N	418.417	1.884	50	40	HDGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1	104643716	PZWOSRKXIIIRBF-SDXDJHTJSA-N	419.503	1.662	50	40	HDGB	
COc1ccc([C@H](CNC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2Cl)N2CCCC2)cc1	575422784	OHFBTMAVHZDGPS-ZACQAIPSSA-N	415.943	1.536	50	40	HDGB	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NNC(=O)c1cc(Br)cn1C	12816939	HOVXJAOKNAQUOD-UHFFFAOYSA-N	417.241	1.628	50	40	HDGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1	408741579	QSOLDINGWCFLLQ-FVOVHSBVSA-N	411.399	1.375	50	40	HDGB	
COc1cccc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)c1	6583358	CNYVPSABHIAAFY-YBFXNURJSA-N	407.448	1.141	50	40	HDGB	
CC(=O)Nc1cccc(-c2nc(SCC(=O)NNC(=O)Cc3ccccc3)n[nH]2)c1	408638541	RONQGNKKTAIIJV-UHFFFAOYSA-N	424.486	1.912	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NN[C@@H](C(=O)NC2CC2)c2ccccc2)c1	15510191	QMDXNKCYTYVQRL-GOSISDBHSA-N	416.503	1.191	50	40	HDGB	
CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccccc2-n2cccn2)c1	40115831	CSPLBBBXCKYSBW-UHFFFAOYSA-N	413.459	1.197	50	40	HDGB	
CCS(=O)(=O)N(CC(=O)N/N=C1\C(=O)Nc2ccccc21)c1ccc(OC)cc1	59490234	GYHUCKXATYVFNT-UHFFFAOYSA-N	416.459	1.324	50	40	HDGB