smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)OC(CCO[P@@](=O)(N(C)C)N(CCCl)CCCl)OC(C)=O	26154002	JCXUWIRCPBHOJJ-DEOSSOPVSA-N	407.231	2.295	50	1	HEGF	
CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C[C@H]1n1ccc(O)nc1=O	299816862	VPXFRHSNKICYPX-IXYNUQLISA-N	400.548	2.024	50	1	HEGF	
O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Cl)cc21)c1ccc(F)cc1	71341644	FHLUDRWABFOPFW-NKFKGCMQSA-N	416.840	2.250	50	1	HEGF	
N=c1[nH]c2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)nc-2c(Cl)[nH]1	587009461	GQZQRQUXMBVQEU-NSHDSACASA-N	404.261	2.491	50	1	HEGF	
CN/C(SC)=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	1911586554	FUKTZVTYYCRMAE-SAPNQHFASA-N	421.504	2.348	50	1	HEGF	
C[C@]1([C@H](Br)CO)CC=C2[C@H](C1)[C@H](O)C[C@@H]1[C@]2(C)C[C@H](O)[C@H]2CC[C@@]21O	13432821	UUTZXOAJMKWEJE-IGYXGKPISA-N	415.368	2.378	50	1	HEGF	biogenic
CO[C@@H]1O[C@@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1Br	5810320	JOGIRHAQWGMTAO-ZXPJVPCYSA-N	424.085	2.103	50	1	HEGF	
O=C(CCl)Nc1nc(Cc2nnc(S)n2NC(=O)c2ccccc2)cs1	28712127	DDQWMUPDCRTRHM-UHFFFAOYSA-N	408.896	2.175	50	1	HEGF	
Cn1c(=O)c(C(=O)NNC(=O)CCc2c[nH]c3ccccc23)c(O)c2ccccc21	1857628606	PSIPEAJDBUSXEJ-UHFFFAOYSA-N	404.426	2.119	50	1	HEGF	
O=C(Cc1ccc(O)c(Cl)c1)N/N=C1\C(=O)Nc2ccc(C(=O)O)c(Cl)c21	72181000	RVPGDCDIGLRPCG-UHFFFAOYSA-N	408.197	2.412	50	1	HEGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc2cccnc2c1O	618008029	QOJMUBFCQHXPAT-AWEZNQCLSA-N	409.533	2.155	50	1	HEGF	
NNC(=O)c1ccc(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@@H]23)s1	89469179	CWDRUTAIQBKANJ-VMBOVVBDSA-N	423.542	2.124	50	1	HEGF	
C=C(C(=O)O)[C@H]1OC(=O)[C@H]2[C@H]1[C@@H](C(C)C)CC[C@@]2(O)CI	473135925	WFZAUSUQTLKPLQ-ACVJOUTJSA-N	408.232	2.017	50	1	HEGF	
COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@@H]2C)OCO4)c1OC	105520893	DNRVDUVKNOJDLE-RVSFGVKLSA-N	401.419	2.092	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1cccc(F)c1)B(O)O	195468632	OPCQOUJQPVOBAC-MOPGFXCFSA-N	400.259	2.230	50	1	HEGF	
C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](C)c3c(F)cc4c(cnn4C)c3F)n2n1	96169144	WLKZVXWIOJYQBS-PWIIRVQRSA-N	412.404	2.438	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@H]3O	257568733	VNRLQDGXGABKPC-GPYSWCJVSA-N	416.470	2.235	50	1	HEGF	endogenous,in-man
O=C(CBr)NCCc1nc2cc(Br)cc(C(=O)O)c2[nH]1	586971060	LHEIPUKWWIBXJY-UHFFFAOYSA-N	405.046	2.077	50	1	HEGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]2Cl	587706081	ORRQVGMGIAYHSG-MBELBDATSA-N	423.065	2.253	50	1	HEGF	
O=C(O)CC[C@@H](NC(=O)Oc1ccc(N(CCCl)CCCl)cc1)C(=O)O	28013370	IWDNRGMFTDZABC-CYBMUJFWSA-N	407.250	2.377	50	1	HEGF	
COc1cc(/C=N/NC(=O)c2nnc(O)c3nc(-c4ccccc4)ncc23)ccc1O	1911579280	VUOQZIBEKYQLOE-AUEPDCJTSA-N	416.397	2.271	50	1	HEGF	
CC(=O)Nc1nonc1-n1nnc(C(=O)NN=Cc2cccs2)c1-c1ccccc1	299816405	YDUXTSHETLPZQZ-UHFFFAOYSA-N	422.430	2.101	50	1	HEGF	
CN1CCc2cn(C)nc2[C@]12/C(=C(\C#N)NCc1ccccn1)C(=O)c1ccccc12	963956349	XBCAITUESZHKHI-OLFBTZAWSA-N	410.481	2.310	50	1	HEGF	
COc1cc([C@@H](O)[C@@H](CO)Oc2c(OC)cc(C=CC=O)cc2OC)ccc1O	2356588723	DWGMCUNRIQYVFE-WOJBJXKFSA-N	404.415	2.103	50	1	HEGF	
C=C(CCl)[C@@H]1CC[C@@]23O[C@@H]2[C@@H](C[C@](C)(O)[C@H](O)c2cc(C=O)c(o2)C1)OC3=O	2356801354	RNEDRZXXIXKNIV-BQMSUOHSSA-N	410.850	2.077	50	1	HEGF	
Cc1ccc(SCc2c(C(=O)N/N=C\c3ccoc3)nnn2-c2nonc2N)cc1	33603887	TVLCSNXSZPUFJH-ZBKNUEDVSA-N	424.446	2.190	50	1	HEGF	
O=C(CN1CCNCC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	49709204	JNLKFZWIDWWDNY-UHFFFAOYSA-N	419.566	2.025	50	1	HEGF	
Cn1c(=O)n(C)c2cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc21	962891472	FMOPPLVZMXOCHQ-XOBRGWDASA-N	403.841	2.097	50	1	HEGF	
CN(C)CCNC(=O)c1cc([N+](=O)[O-])c(N(CCCl)CCCl)c([N+](=O)[O-])c1	5733372	JRJTYMKHIJELFK-UHFFFAOYSA-N	422.269	2.078	50	1	HEGF	
O=C(O)CN1C(=O)c2cccc3cc(C(=O)CI)cc(c23)C1=O	13452638	UUGKLXSPGMIJED-UHFFFAOYSA-N	423.162	2.138	50	1	HEGF	
Cc1c2c(nn1CC(=O)N/N=C/c1ccsc1)-c1ccccc1S(=O)(=O)N2C	45254615	VGMFEOJJLUOUGY-DJKKODMXSA-N	415.500	2.209	50	1	HEGF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)c1	3606728	XAOANWPRTZIZKN-UHFFFAOYSA-N	421.906	2.498	50	1	HEGF	
C/C(=N\NC(=O)[C@H](C)S[C@H](C)C(=O)N/N=C(\C)c1cccnc1)c1cccnc1	17325258	MELPHSILISUKLF-ZMTKBKFLSA-N	412.519	2.367	50	1	HEGF	
COc1cc(/C=N/NC(=O)CCc2nc(O)c3ccccc3n2)cc(OC)c1OC	299859095	VXWFHKPMHXXFKP-WSDLNYQXSA-N	410.430	2.444	50	1	HEGF	
Cc1ccc(B(O)O)cc1[C@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963185213	KSODZAUHRWHUKU-XJKSGUPXSA-N	413.588	2.035	50	1	HEGF	
COC(=O)C[C@@]1(CCl)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C	963136941	HBOJFYBFLHJJNB-QLJPJBMISA-N	404.872	2.387	50	1	HEGF	
CNc1ccc(C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2C#N)cc1	1857627309	HETUJLIORZROFF-ATJXCDBQSA-N	400.351	2.460	50	1	HEGF	
C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2	101336794	BBVHLZVNYNLCNA-GCWOACIFSA-N	424.877	2.108	50	1	HEGF	
COc1cc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)c(Br)cc1O	95809308	HXFGOHQAMXQYEI-QGMBQPNBSA-N	408.208	2.046	50	1	HEGF	
CN1C(=O)C[C@H]2CN[C@@]3(CCCC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963034333	RFOAXTUARJDRBE-NPMABZOXSA-N	412.453	2.131	50	1	HEGF	
CN(C)CCNC(=O)c1cc([N+](=O)[O-])c(N(CCCl)CCCl)cc1[N+](=O)[O-]	5741886	BULLWAQVLDTRLX-UHFFFAOYSA-N	422.269	2.078	50	1	HEGF	
Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(OC(=O)CCl)CC1	84706156	QMDUKQFUQJXCLN-UHFFFAOYSA-N	406.917	2.364	50	1	HEGF	
CS(=O)(=O)c1ccc(NC(=O)NNC(=S)Nc2c(F)cccc2F)cc1	1857644448	MVBUGWLXDZDDRL-UHFFFAOYSA-N	400.432	2.391	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(=O)C(C)=CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(C)=O)[C@H]1C(=C)C=O	2356582797	XOFKISJIPOLCGP-DLHWMRITSA-N	402.443	2.471	50	1	HEGF	
CS(=O)(=O)CC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	49762742	BBISJZGTPDUISJ-UHFFFAOYSA-N	413.536	2.165	50	1	HEGF	
C[C@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)NN	587886241	MLSZKRGAQJQTLN-ZDUSSCGKSA-N	420.296	2.461	50	1	HEGF	
CN(C)/[N+]([O-])=N\Oc1cc(OC(=O)c2ccc(N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]	38141991	MXGBYIVVPRRBAA-HEHNFIMWSA-N	406.311	2.037	50	1	HEGF	
CC(C)Nc1nc(NNC(=O)c2ccncc2)nc(N2CCc3ccccc3C2)n1	58502051	NKAWLFSKBNHFCQ-UHFFFAOYSA-N	404.478	2.407	50	1	HEGF	
COc1cc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)ccc1O	1633107	YCHMHIPPMJWXPU-SJORKVTESA-N	403.822	2.195	50	1	HEGF	
CN(C)/[N+]([O-])=N/Oc1cc(OC(=O)c2ccc(N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-]	44146309	MXGBYIVVPRRBAA-FXBPSFAMSA-N	406.311	2.037	50	1	HEGF	
C=C[C@@]1(C)[C@H](C(=C)C=O)[C@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@H]2[C@@H]1OC(C)=O	238744254	MWGVFBDZYIRGKG-LUIIJQBQSA-N	402.443	2.471	50	1	HEGF	
NNC(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1	587009397	DBDLVGFGKUYGOO-KRWDZBQOSA-N	410.865	2.287	50	1	HEGF	
COc1cc([C@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC	5838692	KFYHYCDSWCLYFV-IRXDYDNUSA-N	415.833	2.249	50	1	HEGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2ccc(I)cc2)c1	95809706	YPYGRYIYZRPAEP-RQZCQDPDSA-N	409.183	2.174	50	1	HEGF	
[C-]#[N+]C1(NC(=O)c2cnc(-n3ncc4cc(C#N)c(N)nc43)cc2NC(C)C)CC1	1772631424	XXEWGCWTEKWLEW-UHFFFAOYSA-N	401.434	2.229	50	1	HEGF	
O=C1c2ccccc2C(=O)c2c(NC[C@H](Cl)CO)ccc(NC[C@H](Cl)CO)c21	26849846	FXUVEZHXPDSXIA-RYUDHWBXSA-N	423.296	2.485	50	1	HEGF	
O=C1C(=O)[C@H](Cl)[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C(=O)[C@@H]1Cl	587545128	GIYWRBUOHUDAND-MSSRQSJBSA-N	421.188	2.028	50	1	HEGF	
CCCN(CCCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O	5784919	PUFIBAHYLNBWJV-GOSISDBHSA-N	405.499	2.423	50	1	HEGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@@H]2Cl	587706467	PYOWMTHVIFJAQX-MBELBDATSA-N	423.065	2.253	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O	2356548985	MWGVFBDZYIRGKG-DLHWMRITSA-N	402.443	2.471	50	1	HEGF	
NS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2c3ccccc3-c3ccccc32)cc1	13612921	YRDZDHBEFNCCBW-UHFFFAOYSA-N	422.466	2.048	50	1	HEGF	
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NNC(=O)c2ccc(C)cc2)c1	5065837	OXWGVRWJUCXIBV-UHFFFAOYSA-N	407.467	2.239	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O	13486245	GDXCVSFALPNRCV-QEBIIEHZSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1ccccn1)[C@@H](Br)[C@@H]3Br	169295483	OYOUDKVZJGPDSU-DAKGXWLHSA-N	400.070	2.364	50	1	HEGF	
CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl	2356410655	QSXUMRLTTSXLEV-OPTDIUSFSA-N	418.914	2.372	50	1	HEGF	
COC(=O)C[C@@]1(CCl)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	963136933	HBOJFYBFLHJJNB-MGPLVRAMSA-N	404.872	2.387	50	1	HEGF	
CC(=O)OCC1=C2[C@H](OC(=O)CC(C)C)CC(C=O)=CCC[C@]3(C)O[C@@H]3[C@@H]2OC1=O	2356634277	BJXNZMRTVPTJJY-ZEFBCVDJSA-N	420.458	2.196	50	1	HEGF	
NS(=O)(=O)c1cc(NC(=O)NNC(=O)c2ccccc2)c(Cl)cc1Cl	169351753	KDTDEGGSJQMILQ-UHFFFAOYSA-N	403.247	2.107	50	1	HEGF	
CCCOc1c(B(O)O)cc(C)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C	962615965	AUBHTSRYHANMGF-QVKFZJNVSA-N	413.323	2.447	50	1	HEGF	
COc1ccc(B(O)O)c([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1	962640450	QVUOGNDILXULQU-CPJSRVTESA-N	414.314	2.211	50	1	HEGF	
COc1cc(/C=N/NC(=O)CCCCCCC(=O)NO)c(Br)cc1O	95809358	HWPZITOTHCJAEP-VCHYOVAHSA-N	416.272	2.459	50	1	HEGF	
CC/C=C\C1=C(C[C@H](/C=C(\C(=O)O)[C@@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O	238789462	IRKXZIBEKDUKQO-IZPUVSIZSA-N	408.403	2.326	50	1	HEGF	
NNC(=O)c1ccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc2c1	586999881	JXBOUINEJGOJAN-UHFFFAOYSA-N	415.203	2.408	50	1	HEGF	
NNC(=O)c1ccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c2c1	587117862	HFFQWKOZKOTPLX-UHFFFAOYSA-N	417.189	2.387	50	1	HEGF	
CCn1c(SCC(=O)NNC=C2C=C(OC)C(=O)C(OC)=C2)nc2ccccc21	13124168	YLTWWDMYRXKFHI-UHFFFAOYSA-N	414.487	2.296	50	3	HEGF	
C/C(=N\NC(N)=O)c1ccc2ncc([C@H](C)c3c(F)cc4c(cnn4C)c3F)n2n1	96169143	WLKZVXWIOJYQBS-CFMDFUGHSA-N	412.404	2.438	50	1	HEGF	
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)cc(OC)c1OC	84690161	RLJCABVBQBZGRI-OZNZCJATSA-N	416.430	2.321	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12	2356501101	NTAPKTSBAKEYPS-RZDUQXNZSA-N	404.459	2.444	50	1	HEGF	
COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O)c(Cl)c1	1857593209	IUZAVACFOSUDSF-IRXDYDNUSA-N	412.723	2.036	50	1	HEGF	
Cc1ccc(OCC(=O)NN)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587879894	JRVOAPBWZZUQRE-UHFFFAOYSA-N	420.296	2.381	50	1	HEGF	
CC(C)[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCSSCCN(C)C	618008828	KWFYSRXLMCKQRP-INIZCTEOSA-N	419.638	2.049	50	1	HEGF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CB(O)O)c1ccccc1)c1ccccc1	653729223	JDOMAAQZESLOJU-FCHUYYIVSA-N	416.286	2.358	50	1	HEGF	
CN(CCBr)[P@@](=O)(OC[C@@H]1CCCO1)On1nnc2ccccc21	27434149	JDRHDMJGVSCHTA-FNODVLLQSA-N	419.216	2.490	50	1	HEGF	
COC(=O)[C@]1([C@H](C)Br)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962649473	XFHWZPXRKOKXAW-SYURPWHHSA-N	421.291	2.485	50	1	HEGF	
NNC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1	587885603	AAOSEZDVGYVILQ-UHFFFAOYSA-N	406.269	2.073	50	1	HEGF	
CN1[C@@H](SCCS(=O)(=O)O)CCO[P@@]1(=O)N(CCCl)CCCl	29399396	KHCFJAOIAZNBJC-WVDJIFEKSA-N	415.301	2.173	50	1	HEGF	
COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@H](O)CCl)[C@H]1C2=O	64527721	GVSAUUZXMJYVGS-CAHUOCRHSA-N	408.834	2.068	50	1	HEGF	
O=C(CCCCCCCCCCNC(=O)CCl)CC(=O)N[C@H]1CCOC1=O	72179835	BDRZYGIRCCDDML-INIZCTEOSA-N	402.919	2.243	50	1	HEGF	
CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@]1(C)C(C=O)=CC[C@@H](OC(C)=O)[C@H]1C	2356388557	JVPQVYZRYGNREL-DPPINJFTSA-N	420.458	2.159	50	1	HEGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)C[C@@H]1CC(=O)c2ccccc21	618008230	VPJQXCKQIBBFII-BBRMVZONSA-N	410.561	2.348	50	1	HEGF	
N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12	53313235	REPMDHYGDUNMGS-ICSRJNTNSA-N	409.490	2.355	50	1	HEGF	
C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@@]2(Br)CBr)[C@]2(C)C(=O)C=C[C@@]12O	96903071	SNLBWJCLJPJZJD-VOKLROIKSA-N	422.113	2.363	50	1	HEGF	
CCOc1ccc2ccccc2c1C(=O)N[C@@H](Cc1cccc(C(=O)O)c1)B(O)O	205602636	MEFLMETXGJZGFU-IBGZPJMESA-N	407.231	2.290	50	1	HEGF	
Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1nc[nH]n1	962901544	JQIHZKZVTOALTD-HNAYVOBHSA-N	403.845	2.433	50	1	HEGF	
CNc1ccc(C(=O)Oc2cc(ON=[N+]([O-])N(C)C)c([N+](=O)[O-])cc2C#N)cc1	1857627677	HETUJLIORZROFF-UHFFFAOYSA-N	400.351	2.460	50	1	HEGF	
C=C1[C@H](OO)CC[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O)C2	2356527131	WXLVRXBQCVFTIV-FCIDXTPWSA-N	400.512	2.240	50	1	HEGF	
ClCCN1CCN(CCCl)CCN(CCCl)CCN(CCCl)CC1	42923808	MSPQQQGNYIRGMS-UHFFFAOYSA-N	422.272	2.163	50	1	HEGF	
CN(C)CCSSCCn1cc(CNC(=O)c2n[nH]c3ccccc23)nn1	618010003	NKHLCKIJBPLNQD-UHFFFAOYSA-N	405.553	2.027	50	1	HEGF	
N/C(CCl)=N/CCC[C@H](NC(=O)c1ccccc1)C(=O)NCc1ccccc1	199562237	UKLOIMAWYDJJGH-SFHVURJKSA-N	400.910	2.478	50	1	HEGF	
COc1cccc2c1O[C@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@H]1C2=O	195175445	GVSAUUZXMJYVGS-BIWMPGTGSA-N	408.834	2.068	50	1	HEGF	
COc1ccc(Cn2cc(C(=O)NN=C3C(=O)Nc4c(Cl)cccc43)nn2)cc1	1857548203	LCGUJFYKUUQGRH-UHFFFAOYSA-N	410.821	2.075	50	1	HEGF	
O=C(NNS(=O)(=O)c1cccc(O)c1F)c1cc(F)cc(-c2ccccn2)c1	1857605423	MNFYHCPIZGTVJZ-UHFFFAOYSA-N	405.382	2.356	50	1	HEGF	
CCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OCC)OCO2	27519027	FEBDINXYPSHVLJ-HIXSDJFHSA-N	412.446	2.175	50	1	HEGF	
CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3nc4ccccc4n3)cc2)C(=O)O1	40743109	CGMGGFTUXFUAGI-LTXFRBGYSA-N	402.414	2.414	50	1	HEGF	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1	586939265	SOOXQNLJXJZUDQ-INIZCTEOSA-N	421.910	2.495	50	1	HEGF	
CCCN(CCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)NCCCl	5784939	GFIALRWOPLHHDK-SFHVURJKSA-N	410.946	2.248	50	1	HEGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(NC(C)=O)nn1)[C@@H](C2)C3=O	587412151	HPDSHCUXKFQOFT-KPZWWZAWSA-N	418.247	2.481	50	1	HEGF	
C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@H]1[C@]4(C(=O)OC)C(=O)OC(C)=O	101433709	GSUAXYSDIZYHQW-VQKOZPFUSA-N	408.454	2.314	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@@H]1C(=C)C=O	2356548987	MWGVFBDZYIRGKG-RIOOZCNISA-N	402.443	2.471	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O	13486248	GDXCVSFALPNRCV-CWOUTUCISA-N	400.899	2.335	50	1	HEGF	in-man
COc1cc([C@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC	1632114	KFYHYCDSWCLYFV-SJORKVTESA-N	415.833	2.249	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O	14681043	VNRLQDGXGABKPC-GCTIBOKJSA-N	416.470	2.235	50	1	HEGF	endogenous,in-man
CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1)B(O)O	195469997	JYNZVDKPISYXEK-MOPGFXCFSA-N	400.259	2.230	50	1	HEGF	
O=C1C=C/C(=C\NNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C(O)=C1	38161164	QDGUTPVYVMPTQI-VAWYXSNFSA-N	417.468	2.248	50	3	HEGF	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(=S)O[C@@H]12	195492906	BPEOZWDRWRDXPZ-APAOZMKASA-N	423.571	2.397	50	1	HEGF	
C/C(=N\N(C)C(N)=O)c1ccc2ncc([C@H](O)c3cc4cccnc4cc3F)n2n1	96169131	ZQYTVOBQBFGOMW-SXPOYZCRSA-N	407.409	2.233	50	1	HEGF	
CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@@]4(C(=O)OC)C(=O)OC(C)=O	2356561522	GSUAXYSDIZYHQW-TYTAMAGNSA-N	408.454	2.314	50	1	HEGF	
O=C(Nc1ccc(F)cn1)c1cnc(SCc2ccccc2B(O)O)c(Cl)c1	261157075	QDJFIQRQZVZCHC-UHFFFAOYSA-N	417.658	2.494	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O	100784019	GDXCVSFALPNRCV-OQNGOPMMSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324	299852498	SWWBBHAILYXXQH-JNDIGPDASA-N	410.422	2.145	50	1	HEGF	
Cc1ccc(B(O)O)cc1[C@@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963185209	KSODZAUHRWHUKU-CJNGLKHVSA-N	413.588	2.035	50	1	HEGF	
COc1ccc2c(c1OC)[C@@H](c1cc(C(F)(F)F)ccc1B(O)O)N(C)[C@H](C)C2	962620413	GTBRRGVBOVYVBL-ADLMAVQZSA-N	409.213	2.368	50	1	HEGF	
O=C1C=C/C(=C/NNC(=O)C(=O)/C=C2\NC3(CCCC3)Cc3ccccc32)C=C1O	103991360	UIJMWFVUCGUONP-CIDMMJAFSA-N	405.454	2.141	50	3	HEGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCN3CCNCC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	71333768	MXENOJJZWLWVDW-ZBFLUBEFSA-N	424.538	2.033	50	1	HEGF	
CN1CCc2cn(C)nc2[C@@]12/C(=C(/C#N)NCc1ccccn1)C(=O)c1ccccc12	963956352	XBCAITUESZHKHI-ZHDCVSLSSA-N	410.481	2.310	50	1	HEGF	
O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)ncnc32)[C@@H]1O	1772652248	DQQRUZXAWKTVAO-XNIJJKJLSA-N	414.224	2.220	50	1	HEGF	
O=C(COc1ncn(-c2ccc(Cl)cc2)n1)NNC(=S)Nc1ccc(F)cc1	68572092	TYGNHIJUOFJRND-UHFFFAOYSA-N	420.857	2.456	50	1	HEGF	biogenic
C=CCN1N=C[C@]2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[C@H](Cl)C1=O	962708925	LCEXIRFIOQTVDC-XJKCOSOUSA-N	419.762	2.260	50	1	HEGF	
CCC[C@@H](O)C1=C(Br)[C@@](CI)(OC)OC1=O	13379608	YRYRVZXFQIQXET-LDWIPMOCSA-N	405.026	2.131	50	1	HEGF	biogenic
C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1	261191100	ZFKPOKNTFMTPJB-DZJPNTAKSA-N	418.921	2.397	50	1	HEGF	
COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)B(O)O)c(Cl)c1	1857575587	IUZAVACFOSUDSF-IAGOWNOFSA-N	412.723	2.036	50	1	HEGF	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(C(=O)O)cc1	1922275	ZTPWIVBSEDCVAF-AWQFTUOYSA-N	404.220	2.027	50	1	HEGF	
CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(Cl)cc(C(=O)NN)n1	587871557	ZODPKMPXQOBSLL-UHFFFAOYSA-N	403.801	2.428	50	1	HEGF	
C=CCN1N=C[C@]2(c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)[C@H](Cl)C1=O	962626641	CFEIDQCSLUQXMT-CZAAIQMYSA-N	412.877	2.150	50	1	HEGF	
C[C@]1(c2sccc2B(O)O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21	962950265	FHXDNZHOOAMWEG-KRWDZBQOSA-N	411.254	2.362	50	1	HEGF	
COc1cccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)c1	195463788	ZTLLQUORWXYBKC-PMACEKPBSA-N	412.295	2.099	50	1	HEGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOCCOCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	84653066	NKBOWYXGXYQXLF-RCQQOWRMSA-N	416.511	2.237	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cccnc1)c1ccccc1Cl)B(O)O	195469859	FHUUEIVFLBLDIN-ROUUACIJSA-N	417.702	2.139	50	1	HEGF	
O=C1C=CC(=CNNC(=O)c2ccccc2NS(=O)(=O)c2cccs2)C=C1	38180793	LDTJOXVGFNQCCQ-UHFFFAOYSA-N	401.469	2.362	50	3	HEGF	
Cc1csc(C(=O)NNC(=O)CN[C@H]2CCN(Cc3ccc(Cl)cc3)C2)c1	28389296	PUWPHDORDLMGPB-INIZCTEOSA-N	406.939	2.335	50	1	HEGF	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1	586939267	SOOXQNLJXJZUDQ-MRXNPFEDSA-N	421.910	2.495	50	1	HEGF	
CCCOc1c(B(O)O)cc(C)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C	962615956	AUBHTSRYHANMGF-BTYIYWSLSA-N	413.323	2.447	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1	100782905	CICWEHOIACOOIN-VUIWTISPSA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O	100778128	RKHYCZRKSYBVGA-LPCJOIQWSA-N	420.458	2.019	50	1	HEGF	endogenous,in-man
CCC=CC1=C(C[C@@H](C=C(C(=O)O)[C@@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O	2356586636	IRKXZIBEKDUKQO-VXGBXAGGSA-N	408.403	2.326	50	1	HEGF	
N[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCCCl)Cc1ccccc1	40899473	NFNILHXZAILXHB-UXHICEINSA-N	401.938	2.419	50	1	HEGF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(CCl)NC(C)C)O2)c(=O)[nH]c1=O	73141921	PEIPWGFATRIKTM-RTMXWMFYSA-N	420.794	2.215	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@H](NCc1cccnc1)c1cccc(Cl)c1)B(O)O	195469869	DRYVZXZHFKAKQR-OALUTQOASA-N	403.719	2.499	50	1	HEGF	
CCOc1ccc(-c2nn(C(=O)CCC(=O)NN)c(=O)c3ccccc23)cc1OCC	587670890	JKCBSBKUJLGOHT-UHFFFAOYSA-N	424.457	2.271	50	1	HEGF	
CCOc1ccc(/C=N\NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	33399030	OCBZMWUTZFJSAR-JTMDUIFQSA-N	419.503	2.399	50	1	HEGF	
C[C@H](Cl)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O	143170975	OWLMTGQNBXLNSO-RGQBNRBVSA-N	402.915	2.114	50	1	HEGF	
CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(=O)c4cccc5cccc3c45)C(C#N)=C(N)N2C1	653708773	VMNAQCLDUQQPOY-QFIPXVFZSA-N	401.426	2.359	50	1	HEGF	
N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12	53313225	REPMDHYGDUNMGS-UYAOXDASSA-N	409.490	2.355	50	1	HEGF	
CCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21	64264571	FHCLGIKJZUJMHH-MOHJPFBDSA-N	403.442	2.225	50	1	HEGF	
NS(=O)(=O)c1ccc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1	5538236	VPWINEMCRWFENM-UHFFFAOYSA-N	408.439	2.086	50	1	HEGF	
O=C(Cc1n[nH]c(=O)c2ccccc12)NNC(=O)c1nc(-c2ccccc2)cs1	96930073	ONRSTELXDBXWPJ-UHFFFAOYSA-N	405.439	2.050	50	1	HEGF	
C=C1C[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(O)CCl	2356488235	FKRRWLGLGLGHLD-QHBRNMCNSA-N	418.873	2.237	50	1	HEGF	
C[C@@]1(O)[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NC3CCCC3)nc(Cl)nc21	40407717	GHKVAAPTNWFDFP-ROMFRFKVSA-N	402.282	2.082	50	1	HEGF	
C=CCN1N=C[C@]2(c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)[C@@H](Cl)C1=O	962626658	CFEIDQCSLUQXMT-NDXORKPFSA-N	412.877	2.150	50	1	HEGF	
C=C(C(=O)O)[C@@H]1OC(=O)[C@H]2[C@H]1[C@@H](C(C)C)CC[C@@]2(O)CI	473135926	WFZAUSUQTLKPLQ-XRHZXQNYSA-N	408.232	2.017	50	1	HEGF	
CCCOc1c(B(O)O)cc(C=O)cc1[C@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21	962944194	HELOOXPFKNHJMQ-IVZQSRNASA-N	406.291	2.463	50	1	HEGF	
NNC(=O)c1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1	299855014	CIHJLPSDUOSCNY-GOSISDBHSA-N	420.473	2.208	50	1	HEGF	
C[C@]1(c2csc(B(O)O)c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21	962957782	PNZYYEUPTDXMJC-QGZVFWFLSA-N	411.254	2.362	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)C(C)=CC)[C@@H]12	2356641709	ZSPXQNHVFRBKSX-FUMNGEBKSA-N	404.459	2.205	50	1	HEGF	
O=C(O)c1cn(C2CC2)c2cc(N3CCN(C(=O)CCl)CC3)c(F)cc2c1=O	45285031	AGTFKGLDCMHYMV-UHFFFAOYSA-N	407.829	2.061	50	1	HEGF	
COc1ccccc1[C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1ccccc1	195463773	VAJBMJCFDKENTD-QUCCMNQESA-N	412.295	2.099	50	1	HEGF	
CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@](C)(O)[C@H](C)Cl)OC1=O	257423768	GDXCVSFALPNRCV-YZVQFFLOSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
CN(C)S(=O)(=O)c1ccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)cc1	1857618893	KHHXBFPAALEQSK-HMMYKYKNSA-N	407.879	2.376	50	1	HEGF	
OB(O)c1cc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1F	962634064	HRKORYCYAISGJI-GBXCKJPGSA-N	402.278	2.342	50	1	HEGF	
O=C(CCl)NNC(=O)c1oc2nc(C(F)(F)F)ccc2c1NC(=O)CCl	653703159	CAHDJGFKXBYOQP-UHFFFAOYSA-N	413.139	2.024	50	1	HEGF	
COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O	169292339	GVSAUUZXMJYVGS-IAOQFVPISA-N	408.834	2.068	50	1	HEGF	
O=C(O)c1ccc(NC(=O)c2ccc(SCc3ccccc3B(O)O)nc2)cc1	202739016	PZDDRCYQNWSMNQ-UHFFFAOYSA-N	408.244	2.004	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12	2356501098	NTAPKTSBAKEYPS-BXGXRFPOSA-N	404.459	2.444	50	1	HEGF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCSCCC(=O)NN	587870086	VVWCEYVOQCSAHO-UHFFFAOYSA-N	417.413	2.116	50	1	HEGF	
C[C@@H](Oc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)C(=O)NN	587886240	MLSZKRGAQJQTLN-CYBMUJFWSA-N	420.296	2.461	50	1	HEGF	
COC(=O)[C@]1([C@@H](C)Br)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21	962649475	XFHWZPXRKOKXAW-VMKIBOBSSA-N	421.291	2.485	50	1	HEGF	
CCCCC[C@H](O)CC1=C([C@H](Cl)OC)C(=O)[C@@H]2O[C@]2(CC=C(C)C(=O)O)[C@H]1O	2356490514	LLXPVCOJUSFMCM-FFCSKIIPSA-N	416.898	2.328	50	1	HEGF	
O=C(NO)c1cccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)c1	95808988	JIKDCBJMPAZJBH-CNHKJKLMSA-N	406.192	2.061	50	1	HEGF	
NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	13612896	FIHDPHXTPMLGSV-UHFFFAOYSA-N	403.247	2.107	50	1	HEGF	in-vivo
CCC(O)(CC)C(=O)NN/C=C1\C=C(Br)C=C(Br)C1=O	13119333	LMXUYULRMFYHNH-BQYQJAHWSA-N	408.090	2.183	50	3	HEGF	
COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@@H]([C@@](O)(CO)CCl)O4	14682416	ZUSJOVPHCLENRE-YWZLYKJASA-N	406.818	2.229	50	1	HEGF	biogenic
C/C(=N\NC(N)=O)c1ccc2ncc([C@H](O)c3c(F)cc4ncccc4c3F)n2n1	96169133	LPOFILQRZWDFHB-WEMJQBFDSA-N	411.372	2.030	50	1	HEGF	
CS(=O)(=O)c1ccc(N)c(SSc2cc(S(C)(=O)=O)ccc2N)c1	5798529	DSNZBZOHYHLMLH-UHFFFAOYSA-N	404.560	2.457	50	3	HEGF	
C/C(=N\NC(=O)c1cccnc1)c1cccc(/C(C)=N/NC(=O)c2cccnc2)n1	17176327	KTIMZDVPCGKQRT-LVSXPEEVSA-N	401.430	2.180	50	1	HEGF	
CC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(C)C(=O)OCC(Cl)(Cl)Cl	28764299	ZFVNXWTZKZFPIO-LBPRGKRZSA-N	410.685	2.204	50	1	HEGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1	618008003	PYVSHUKJPANXMT-GOSISDBHSA-N	420.604	2.470	50	1	HEGF	
O=C1CN(C(=O)CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CCN1	49722990	NYBBUXJZIDYROC-UHFFFAOYSA-N	404.507	2.352	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O	100784021	GDXCVSFALPNRCV-WCAZCZGXSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
Cc1csc(C(=O)NNC(=O)CN[C@@H]2CCN(Cc3ccc(Cl)cc3)C2)c1	28389289	PUWPHDORDLMGPB-MRXNPFEDSA-N	406.939	2.335	50	1	HEGF	
O=C(CN1CCOCC1)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3	49746970	DQGHXQSFERWATJ-UHFFFAOYSA-N	420.550	2.452	50	1	HEGF	
O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(O)nc(S)nc2[nH]1	587009620	NQBXITFUWACDCL-NSHDSACASA-N	402.867	2.467	50	1	HEGF	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@H]1[C@H]3C(=O)N4CCCO[C@H]4[C@@]34C=C[C@]1(C)O4)C2	1857589590	NHVYYPBQUMPCMS-SAGMEMPBSA-N	413.518	2.223	50	1	HEGF	
O=C1C=CC(Cl)=C/C1=C\NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	16134115	LOYDIQUPLQMPGG-FYWRMAATSA-N	421.906	2.241	50	3	HEGF	
CCC[C@@H](O)C1=C(Br)[C@](CI)(OC)OC1=O	13379610	YRYRVZXFQIQXET-LHLIQPBNSA-N	405.026	2.131	50	1	HEGF	biogenic
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CN2CCC[C@H](O)C2)cc1	1857635968	RAHUVZPEVPGKRP-AJPHYDNBSA-N	422.529	2.244	50	1	HEGF	
COc1cc(Br)c(/C=N/NC(=O)c2cccc(C(=O)NO)c2)cc1OC	95808781	DDVMZKXYXJNCSN-DJKKODMXSA-N	422.235	2.349	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1F)B(O)O	195468619	BUJSERZHFWALME-MOPGFXCFSA-N	400.259	2.230	50	1	HEGF	
COC1=C/C(=C/NNC(=O)C(=O)/C=C2\NC3(CCCC3)Cc3ccccc32)C=CC1=O	35443560	BOCURVOCJOWDMQ-ZLNPETDVSA-N	419.481	2.229	50	3	HEGF	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccn1	169295484	OYOUDKVZJGPDSU-UMHAWLNWSA-N	400.070	2.364	50	1	HEGF	
NNC(=O)COc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587879036	GWGMZWHLLCQBTB-UHFFFAOYSA-N	406.269	2.073	50	1	HEGF	
C=C1C(=O)CO[C@@H]2/C=C(\COC(C)=O)C/C=C(/C=O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12	95486312	JPLKIHFXKRXNIK-AOAZXMHASA-N	404.459	2.493	50	1	HEGF	biogenic,in-vitro
COc1cc(Br)cc(C=O)c1OCc1nc2ccc(C(=O)NN)cc2[nH]1	586979866	DTFMYYPRNXTOEE-UHFFFAOYSA-N	419.235	2.329	50	1	HEGF	
CN(C)CCSSCCCn1cc(CNC(=O)c2n[nH]c3ccccc23)nn1	618009804	JUXWQPMWYJIWKW-UHFFFAOYSA-N	419.580	2.418	50	1	HEGF	
N#CC(C#N)=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC3)cc21	40405035	ZPKCBEFUDFBHGK-UHFFFAOYSA-N	404.451	2.429	50	1	HEGF	
C/C(=N\NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1c(O)c2ccc(O)cc2oc1=O	1857595082	ODJRPMCLXNJLNR-HDMAUQOBSA-N	405.366	2.357	50	1	HEGF	
CCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NC)c1ccc(N)cc1)OCO2	27518477	LTZJBBCKXKVFTG-HIXSDJFHSA-N	412.446	2.175	50	1	HEGF	
CCN[P@@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl	26166219	QAFRFIHDCMFQJL-XMMPIXPASA-N	407.231	2.343	50	1	HEGF	
CN(C)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N(CCCl)CCCl	5733373	ZVOQAVHJANDADH-UHFFFAOYSA-N	422.269	2.078	50	1	HEGF	
C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1	261191101	ZFKPOKNTFMTPJB-VHYIGOAFSA-N	418.921	2.397	50	1	HEGF	
COC1=CC=C/C(=C\NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)C1=O	15885029	IHWDWNCJXAPTMG-XDJHFCHBSA-N	417.465	2.109	50	3	HEGF	
COc1ccc(/C(C)=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1	71296107	FPQHGWRVVFJRSC-UDWIEESQSA-N	401.444	2.096	50	1	HEGF	
N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12	53313230	REPMDHYGDUNMGS-QUCCMNQESA-N	409.490	2.355	50	1	HEGF	
CC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1	299868505	RORRBHAGGAEHKH-UHFFFAOYSA-N	402.863	2.299	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1	13338660	CICWEHOIACOOIN-WCHDQSTFSA-N	410.422	2.069	50	1	HEGF	in-man
COc1ccc(B(O)O)cc1[C@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21	962952276	HADNTXVESKLHCO-IBGZPJMESA-N	421.224	2.135	50	1	HEGF	
CC(=NNC(=O)[C@H](C)S[C@@H](C)C(=O)NN=C(C)c1cccnc1)c1cccnc1	254102318	MELPHSILISUKLF-HOTGVXAUSA-N	412.519	2.367	50	3	HEGF	
C#C[C@H](O)[C@@H]1C[C@@H]2O[C@]3(C[C@@H]2O1)O[C@H]([C@H](Br)CC)C[C@@H]3Br	2356795443	MAUBBGAKWPISAF-JKVVLSROSA-N	424.129	2.349	50	1	HEGF	
COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(OC(F)(F)F)cc1B(O)O	963050646	CPCWNVITBYHGQF-LJQANCHMSA-N	418.180	2.057	50	1	HEGF	
CC[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1cc(I)c(C)n1	587186062	ZINGSGXSGJAZPO-ZDUSSCGKSA-N	424.246	2.275	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(C)=CC)[C@H]1C(=C)C=O	2356548988	MWGVFBDZYIRGKG-WBNICFMRSA-N	402.443	2.471	50	1	HEGF	
CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(C(=O)NN)cc3[nH]2)cc1	587043948	VNZBCESBAFYSQO-KRWDZBQOSA-N	411.487	2.453	50	1	HEGF	
COc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)c(I)c1	587179822	GWEYBBXCKFRPKQ-UHFFFAOYSA-N	408.199	2.447	50	1	HEGF	
C=C[C@@]1(C)[C@@H](C(=C)C=O)[C@H](OC(=O)C(C)=CC)[C@H]2C(=C)C(=O)O[C@H]2[C@H]1OC(C)=O	2356548986	MWGVFBDZYIRGKG-HVFAFZLOSA-N	402.443	2.471	50	1	HEGF	
Cc1nc(-c2ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N(C)N(C)C#N)cc2)no1	66103501	LRGPAVMYPWWORG-KRWDZBQOSA-N	413.482	2.045	50	1	HEGF	
COc1cc2nc(N3CCN(C(=O)[C@H]4CCSS4)CC3)nc(N)c2cc1OC	13606750	PUSDBRIZNFZIFK-OAHLLOKOSA-N	421.548	2.032	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@H](NC(=O)C1CCCCC1)c1cccc(F)c1)B(O)O	195475164	ZHWKAPNYWBEOCP-OALUTQOASA-N	406.307	2.496	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12	2356501099	NTAPKTSBAKEYPS-METBBJEHSA-N	404.459	2.444	50	1	HEGF	
C/C(=N\N(C)C(N)=O)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1	96169161	QHJBDFNMDSHYPW-LGJNPRDNSA-N	400.446	2.487	50	1	HEGF	
COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C(C=O)[C@H]2CO)cc(OC)c1O	209377507	BMSWDUKHSSOQNO-KDOFPFPSSA-N	416.426	2.469	50	1	HEGF	
CC(=O)OCOC(=O)c1ccc(C(=O)N/N=C/c2cnc[nH]2)cc1-n1c(C)ccc1C	1857576898	PEJFYDDLZSJMEP-YSURURNPSA-N	423.429	2.259	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@@]12O	2356815949	CXDPJDYGYSRNDR-PFMQYRJWSA-N	416.470	2.379	50	1	HEGF	
COc1ccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)cc1	195292508	JQJKHOAJOAWMLN-UXHICEINSA-N	412.295	2.099	50	1	HEGF	
NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Cc3ccccc3)cc2)cc1	13612915	GABLEBZQJSDXNP-UHFFFAOYSA-N	424.482	2.391	50	1	HEGF	
CCCOc1c(B(O)O)cc(C=O)cc1[C@@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21	962944197	HELOOXPFKNHJMQ-NYHFZMIOSA-N	406.291	2.463	50	1	HEGF	
CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)c1c(O)nc(=O)n(CCOC)c1N	963222696	BUPPOWUBBGMTQV-SPLOXXLWSA-N	420.941	2.317	50	1	HEGF	
COc1cccc(-c2c(C(=O)N/N=C\c3ccc(C)s3)nnn2-c2nonc2N)c1	15978522	NKVKLXISWHQACV-UKWGHVSLSA-N	424.446	2.042	50	1	HEGF	
C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@@H]1O[C@@]14C(=O)c1c(O)cccc1O[C@@]342	299852497	SWWBBHAILYXXQH-AHMPTPDQSA-N	410.422	2.145	50	1	HEGF	
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)CCCl)cc1	27991574	MQBTXLJHXVDIMG-UHFFFAOYSA-N	423.878	2.331	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cccnc1)c1ccccc1Cl)B(O)O	195469855	FHUUEIVFLBLDIN-MSOLQXFVSA-N	417.702	2.139	50	1	HEGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)c2C)c(N)n1	103231849	DWRJJNQLUMPWJC-QPJQQBGISA-N	419.276	2.386	50	1	HEGF	
COc1ccc(/C=C/C(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	84708934	RVSKEYHELSFXLZ-YVUBOPQPSA-N	401.375	2.490	50	1	HEGF	
Cc1csc2ncn(CC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)c12	73138158	KPTVVSHQCWDAIU-PTXOJBNSSA-N	405.823	2.478	50	1	HEGF	
Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc3c(Cl)cc(=O)oc3c2)cc1	103175614	BXIULKVAMBCUPT-UHFFFAOYSA-N	422.846	2.143	50	1	HEGF	
C=CCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O	149792387	QJXMWQOMYXEJMI-MFKUBSTISA-N	424.476	2.168	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cccnc1)c1ccc(Cl)cc1)B(O)O	195271305	QJANVDWKNCKKBH-ROUUACIJSA-N	417.702	2.139	50	1	HEGF	
CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@H](C=C(C)C1)OC(=O)[C@]2(O)CCl	2356484605	AXEPFXQADBSHJP-RDHIYWLCSA-N	400.855	2.048	50	1	HEGF	
C=C1C(=O)CO[C@@H]2C=C(COC(C)=O)CC=C(C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12	2356708963	JPLKIHFXKRXNIK-DJJREKMQSA-N	404.459	2.493	50	1	HEGF	
CCN[P@](=O)(OCCC(OC(C)=O)OC(C)=O)N(CCCl)CCCl	26166224	QAFRFIHDCMFQJL-DEOSSOPVSA-N	407.231	2.343	50	1	HEGF	
CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	1857635804	YMQJPWVVZCQXPV-TZMCWYRMSA-N	421.233	2.441	50	1	HEGF	
O=C(NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1)C(Cl)Cl	71341242	CRFKOMOPGFYCNJ-LBPRGKRZSA-N	421.244	2.036	50	1	HEGF	
COCCOc1cc2ncnc(/N=C3\C(=O)C(OC)=CC(=O)[C@H]3Cl)c2cc1OC	169719129	PYNASHGUXWPMEL-VKQKCINQSA-N	419.821	2.026	50	1	HEGF	
CC(C)CN(NC(=O)[C@H](N)c1ccccc1)c1nc(C#N)ncc1Br	64361447	SPGXKMZANYVVMA-OAHLLOKOSA-N	403.284	2.304	50	1	HEGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B(O)O	195208220	AWXYNBQZTHUWIM-PMACEKPBSA-N	412.295	2.067	50	1	HEGF	
CC(=O)Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1-c1ccccc1	63539535	YDUXTSHETLPZQZ-VXLYETTFSA-N	422.430	2.101	50	1	HEGF	
O=NN(CCCl)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl	28231063	OHRAODDYKPDXCZ-CQSZACIVSA-N	400.266	2.366	50	1	HEGF	
O=C(Cc1ccc2c(c1)OCO2)N/N=C1\C(=O)Nc2ccc(Br)cc21	72179521	WOSYHFSNHZBPRV-UHFFFAOYSA-N	402.204	2.193	50	1	HEGF	
CN(CCBr)[P@](=O)(OC[C@H]1CCCO1)On1nnc2ccccc21	299805705	JDRHDMJGVSCHTA-YYUOZPCZSA-N	419.216	2.490	50	1	HEGF	
CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3ccc(C(=O)NN)cc3[nH]2)cc1	587043949	VNZBCESBAFYSQO-QGZVFWFLSA-N	411.487	2.453	50	1	HEGF	
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OCC)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238771823	ZSPXQNHVFRBKSX-GBYAYGJQSA-N	404.459	2.205	50	1	HEGF	
N#Cc1nc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2nc1C#N	587009565	LKFUJYBSNYITDT-ZDUSSCGKSA-N	404.821	2.216	50	1	HEGF	
COCCOc1cc2ncnc(/N=C3\C(=O)C(OC)=CC(=O)[C@@H]3Cl)c2cc1OC	169719128	PYNASHGUXWPMEL-ZOAKPAGHSA-N	419.821	2.026	50	1	HEGF	
C#CCSc1nc(NNC(N)=O)c(C#N)c(-c2ccc(Br)cc2)n1	215894705	ZQNQFQLEDITOJB-UHFFFAOYSA-N	403.265	2.498	50	1	HEGF	
CN(C)CCSSCCCn1cc(CN2C(=O)c3ccccc3C2=O)nn1	618009997	NAAPVUSDEPQMSL-UHFFFAOYSA-N	405.549	2.407	50	1	HEGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(NC(C)=O)cc1C	618007716	FYRTURDVCWJYPU-INIZCTEOSA-N	413.565	2.168	50	1	HEGF	
CC1(C)OB(c2ccc(N(CCCl)CCOS(C)(=O)=O)cc2)OC1(C)C	207143970	QHVMNROWPFFMRQ-UHFFFAOYSA-N	403.737	2.007	50	1	HEGF	
C[N+](C)(C)CCCNC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1	26253066	KWCGGXMCYJTXJX-GOSISDBHSA-O	404.406	2.053	50	1	HEGF	
O=C(NNC(=O)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)c1csc(N2CCOCC2)n1	102832684	GYINBCHGHUFNSO-IJKBLAIYSA-N	424.954	2.319	50	1	HEGF	
C=C1C[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(O)CCl	2356488237	FKRRWLGLGLGHLD-XYNORADFSA-N	418.873	2.237	50	1	HEGF	
COC(=O)C[C@]1(CCl)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C	963136924	HBOJFYBFLHJJNB-HWPZZCPQSA-N	404.872	2.387	50	1	HEGF	
CC(=O)O[C@@H]1/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@@H](/C=C(\C)C1)OC(=O)[C@]2(O)CCl	103554560	AXEPFXQADBSHJP-BNMOCXKSSA-N	400.855	2.048	50	1	HEGF	biogenic,in-vitro
CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1F)B(O)O	195468624	BUJSERZHFWALME-OALUTQOASA-N	400.259	2.230	50	1	HEGF	
CN(C)CCSSCCCn1cc(CN2C(=O)C(=O)c3ccccc32)nn1	618009732	HEHSOEAQUKDEBG-UHFFFAOYSA-N	405.549	2.341	50	1	HEGF	
O=C(OC[C@]1(O)[C@H](Cl)C=C[C@@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	2356684293	QATWSOQILGAVIA-IKVWTGGYSA-N	402.830	2.338	50	1	HEGF	
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(C)cc2)C(C)C)c1	2662220	SLGLNLXCYOAYNI-LJQANCHMSA-N	413.474	2.228	50	3	HEGF	
CCOC(=O)[C@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)[n+]1ccc2ccccc2c1	299844678	QQQDBMARAJQANF-MEGCXXLRSA-O	407.406	2.290	50	1	HEGF	
OB(O)c1cc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)ccc1F	962634078	HRKORYCYAISGJI-HYBUGGRVSA-N	402.278	2.342	50	1	HEGF	
Cc1ccc(B(O)O)cc1[C@H]1N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963185212	KSODZAUHRWHUKU-CZUORRHYSA-N	413.588	2.035	50	1	HEGF	
CC(C)CN(NC(=O)c1ccc2nn[nH]c2c1)c1nc(C#N)ncc1Br	58569451	ORZPWEJZAWRRPM-UHFFFAOYSA-N	415.255	2.189	50	1	HEGF	
COc1cc(C=NNC(=O)c2nnn(Cc3ccc(Cl)cc3)c2N)ccc1O	957608698	ABVCMUVPSPAUCC-UHFFFAOYSA-N	400.826	2.040	50	1	HEGF	
CCc1ccccc1NC(=O)CSC(=O)NNC(=O)CNC(=O)OC(C)(C)C	29050261	BCHZFGKHSKUQNI-UHFFFAOYSA-N	410.496	2.186	50	1	HEGF	
O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1nccs1)[C@@H](Br)[C@@H]3Br	169294222	AHPXHHAPHJBUJZ-VMQOHUEUSA-N	406.099	2.425	50	1	HEGF	
COC1=CC=C/C(=C\NNC(=O)c2c(C)nc3ccc(Br)cn23)C1=O	13119350	AQEDDVMOUMVNLM-DHZHZOJOSA-N	403.236	2.193	50	3	HEGF	
Cc1cc(N2C(=O)[C@H]3[C@@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1	17413729	IFPRZDPGAPGJEI-SPXMWDITSA-N	404.058	2.265	50	1	HEGF	
COc1ccc(B(O)O)c(CSc2ccc(C(=O)Nc3ccc(F)cc3)cn2)c1	198302498	GMNNTQPTKYJUKQ-UHFFFAOYSA-N	412.251	2.454	50	1	HEGF	
C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324	299852499	SWWBBHAILYXXQH-MBXYPAEBSA-N	410.422	2.145	50	1	HEGF	
Cc1nn([C@@H](C)C(=O)NN)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587879473	QAGVNHSVNYABGL-ZDUSSCGKSA-N	422.316	2.068	50	1	HEGF	
COc1ccc(-c2cc(C(=O)NN)n(C[C@@H](O)COc3ccc(Cl)cc3)n2)cc1	40936047	TYISFNXGBQDUCR-OAHLLOKOSA-N	416.865	2.256	50	1	HEGF	
CC/C=C/C1=C(C[C@H](/C=C(\C(=O)O)[C@@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O	238761939	IRKXZIBEKDUKQO-AHBBVIJESA-N	408.403	2.326	50	1	HEGF	
NNC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1	1772603140	SBRHSRXUDZYWSR-UHFFFAOYSA-N	415.240	2.482	50	1	HEGF	
COc1cccc(OC)c1/C=C/C(=O)NC(=S)NNC(=O)Cc1cccs1	217495021	ZEAMXYYEGUCMIX-CMDGGOBGSA-N	405.501	2.043	50	1	HEGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccc(O)c2)CC1	618008064	QWHMPKKMKWXLNF-UHFFFAOYSA-N	411.593	2.304	50	1	HEGF	
CCCN(CCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)NCCCl	5784950	GFIALRWOPLHHDK-GOSISDBHSA-N	410.946	2.248	50	1	HEGF	
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)Cc2cccs2)c(OC)c1	217494917	NAHHIDFSVKWMKA-SOFGYWHQSA-N	405.501	2.043	50	1	HEGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1cn(C)c2ccccc12	618008136	SATDUUKJGCLETJ-INIZCTEOSA-N	409.577	2.322	50	1	HEGF	
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NN/C=C1\C=CC=CC1=O	13126155	KVVGSTUYHWKNCL-DTQAZKPQSA-N	422.514	2.368	50	3	HEGF	
N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1	170188898	ARDWWKALWVMWKW-TWOQFEAHSA-N	410.270	2.133	50	1	HEGF	
CC(C)c1ccc(OCC(=O)NNC(=S)NC(=O)c2nc3ccccc3[nH]2)cc1	1857755116	HYBABGBSDOUFTB-UHFFFAOYSA-N	411.487	2.401	50	1	HEGF	
CCOc1ccc(/C=N\NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1	33399029	OCBZMWUTZFJSAR-XWCAUFEOSA-N	419.503	2.399	50	1	HEGF	
CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)C[C@@H]1n1ccc(O)nc1=O	299816860	VPXFRHSNKICYPX-DSJMHWKBSA-N	400.548	2.024	50	1	HEGF	
O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cccs2)cc1)c1ccccc1	1772635209	XLZNHOGUVWWAPT-UHFFFAOYSA-N	415.496	2.301	50	1	HEGF	
CC(C)CC(=O)O[C@@H]1OC=C(CO)C2=C[C@H](OC(=O)CC(C)C)[C@](O)(CCl)[C@@H]21	2356412569	UKRMMXWGUMNREB-MVJPYGJCSA-N	416.898	2.292	50	1	HEGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(O)cc2)CC1	618008121	RVCZAWLGIXYUEP-UHFFFAOYSA-N	411.593	2.304	50	1	HEGF	
Cc1c(/C=N/NC(=O)c2cc(=O)[nH]c(O)n2)c2ccccn2c1C(=O)c1ccccc1	3188143	SONNGSFFXSRLCR-FSJBWODESA-N	415.409	2.032	50	3	HEGF	
CCCOc1c(B(O)O)cc(C)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C	962615969	AUBHTSRYHANMGF-YCRPNKLZSA-N	413.323	2.447	50	1	HEGF	
CN(CCCl)[C@@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5	28015717	QMCIDHSSEHCMRS-QREOPNFFSA-N	418.965	2.496	50	1	HEGF	
CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O	85597268	RKHYCZRKSYBVGA-WAQMSGSHSA-N	420.458	2.019	50	1	HEGF	endogenous,in-man
CC(C)(C)OC(=O)N[C@@H](C(=O)NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1	27190651	RFAVOOYMAJSUBJ-CQSZACIVSA-N	404.379	2.215	50	1	HEGF	
CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)c1c(O)nc(=O)n(CCOC)c1N	963222698	BUPPOWUBBGMTQV-SZNDQCEHSA-N	420.941	2.317	50	1	HEGF	
Cc1cccc(S(=O)(=O)c2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)c1	28121936	FRYNAAWKZVERBA-UHFFFAOYSA-N	407.879	2.189	50	1	HEGF	
C/C(=N\NC(N)=O)c1ccc2ncc([C@](C)(O)c3cc4cccnc4cc3F)n2n1	96169137	QCPVGCKJHKWSHC-UEAIBJGASA-N	407.409	2.065	50	1	HEGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3cccc(Cl)c3Cl)c2C)c(N)n1	103231851	VBFYUONSVAUKTB-QPJQQBGISA-N	419.276	2.386	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1	13338662	CICWEHOIACOOIN-UXTBNAJHSA-N	410.422	2.069	50	1	HEGF	in-man
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]2Cl	587706082	ORRQVGMGIAYHSG-QCIOHUMDSA-N	423.065	2.253	50	1	HEGF	
CC(C)[C@H]1CC[C@@](O)(CI)[C@H]2C(=O)OCC(C(=O)O)=C[C@@H]21	473134934	JUYPCEQVWXHXQU-RTWAVKEYSA-N	408.232	2.019	50	1	HEGF	
O=C(CBr)NCCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586971082	LWFCCXHGZRVUAZ-UHFFFAOYSA-N	406.034	2.287	50	1	HEGF	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@@H]1[C@H]3C(=O)N4CCCO[C@@H]4[C@@]34C=C[C@]1(C)O4)C2	1857589588	NHVYYPBQUMPCMS-ONPMQIJTSA-N	413.518	2.223	50	1	HEGF	
COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(C=CC=O)cc2OC)ccc1O	2356588722	DWGMCUNRIQYVFE-VQTJNVASSA-N	404.415	2.103	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O	14681035	VNRLQDGXGABKPC-BBIIYDPRSA-N	416.470	2.235	50	1	HEGF	endogenous,in-man
NNC(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1	587019085	GBRLBDZNQGNZFW-UHFFFAOYSA-N	408.443	2.172	50	1	HEGF	
C[C@@]1(c2ccc(B(O)O)cc2F)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21	962958967	QVEBJFMIBSZOQL-IBGZPJMESA-N	423.215	2.439	50	1	HEGF	
COc1ccc2c(c1OC)[C@H](c1cc(C(F)(F)F)ccc1B(O)O)N(C)[C@@H](C)C2	962620419	GTBRRGVBOVYVBL-VOJFVSQTSA-N	409.213	2.368	50	1	HEGF	
O=C(CBr)NCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	27639506	RTCGTUGHCRMVNT-UHFFFAOYSA-N	416.275	2.499	50	1	HEGF	
COC1=C/C(=C/NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)C=CC1=O	13582066	HTOROZYBAQZFKF-BMRADRMJSA-N	417.465	2.109	50	3	HEGF	
Cc1ccc(S(=O)(=O)c2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)c(C)c1	35001641	PPITYFRNHUEUEO-UHFFFAOYSA-N	421.906	2.498	50	1	HEGF	
Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Cl)c2)c1-c1ccccc1	38187354	IAJNQNRJPHHGOP-FBHDLOMBSA-N	408.809	2.317	50	1	HEGF	
Cc1c(N/C=C2/C=C(Br)C(=O)OC2=O)c(=O)n(-c2ccccc2)n1C	169305607	YLLIUCZBLLNOSE-LUAWRHEFSA-N	404.220	2.142	50	1	HEGF	
CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)COc1ccc(C)cc1[N+](=O)[O-]	136831087	KJVHYQYUKIBTMM-WJDWOHSUSA-N	409.402	2.209	50	3	HEGF	
CCC[C@H](O)C1=C(Br)[C@@](CI)(OC)OC1=O	13379607	YRYRVZXFQIQXET-WKEGUHRASA-N	405.026	2.131	50	1	HEGF	biogenic
O=C(Cc1nc(-c2cnccn2)no1)NNC(=S)NCCCCC1CCCCC1	96285262	YQNVXSQQKSJHPN-UHFFFAOYSA-N	417.539	2.315	50	1	HEGF	
C/C(=N\NC(N)=O)c1ccc2nnc([C@H](C)c3c(F)cc4ncccc4c3F)n2n1	68248442	CSHZVESOAIYXSL-VBMRMQISSA-N	410.388	2.495	50	1	HEGF	
CC(=O)O[C@H]1/C=C(\C)C[C@@H](OC(C)=O)[C@@H]2[C@@H](/C=C(\C)C1)OC(=O)[C@]2(O)CCl	238732957	AXEPFXQADBSHJP-BNIFGNDOSA-N	400.855	2.048	50	1	HEGF	
COc1ccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)cc1	195292518	JQJKHOAJOAWMLN-PMACEKPBSA-N	412.295	2.099	50	1	HEGF	
CCn1cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)ccc21	96911393	SPCKWYLINPSGKT-UHFFFAOYSA-N	403.435	2.092	50	1	HEGF	
CC(=O)[C@H](O)C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC=O	2356747052	LNRMYPAQNOJJAE-DENIHFKCSA-N	414.574	2.445	50	1	HEGF	
COc1cc([C@H](O)[C@H](CO)Oc2c(OC)cc(C=CC=O)cc2OC)ccc1O	2356588720	DWGMCUNRIQYVFE-PMACEKPBSA-N	404.415	2.103	50	1	HEGF	
COc1cc(/C=C(/NC(=O)c2ccc(Cl)cc2)C(=O)NN)cc(OC)c1OC	4226109	RLRIYEMVZCAFBW-RIYZIHGNSA-N	405.838	2.127	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1	15110460	CICWEHOIACOOIN-MCRCGIIPSA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cccc(NC(=O)CCCl)c2)cc1	27991569	DRPRDUPCSVNJKW-UHFFFAOYSA-N	423.878	2.331	50	1	HEGF	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(N4CCOCC4)ccc32)cc2c1OCO2	40547923	PYYJNOYTDVXKQT-HXUWFJFHSA-N	407.426	2.479	50	1	HEGF	
COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@H]([C@](O)(CO)CCl)O4	14682417	ZUSJOVPHCLENRE-FOIQADDNSA-N	406.818	2.229	50	1	HEGF	biogenic
CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@@H](O)[C@@H](O)CO1	64447451	XMINGTMXUWBJOO-CEXWTWQISA-N	421.365	2.235	50	1	HEGF	
CN(C)CCNC(=O)c1ccc(N(CCCl)CCCl)c([N+](=O)[O-])c1[N+](=O)[O-]	5741981	XAUYABHPVXVQQF-UHFFFAOYSA-N	422.269	2.078	50	1	HEGF	
CC(C)[C@H](NC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O	1651057	WECGFTMQFMJQOO-CVEARBPZSA-N	404.338	2.066	50	1	HEGF	
Cc1ncc(CO)c(/C=N/NC(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)c1O	1857587324	RSNSUBCZPXJYTD-YSURURNPSA-N	422.441	2.458	50	1	HEGF	
C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccccn1	618017115	FWZRFNLVYILSCB-AEFFLSMTSA-N	424.636	2.310	50	1	HEGF	
CS(=O)(=O)Nc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1	201289934	XDLPPCQJFDNUNN-CGOBSMCZSA-N	416.290	2.322	50	1	HEGF	
C/C=C(/C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@@]1(C)C(C=O)=CC[C@H](OC(C)=O)[C@@H]1C	238735823	JVPQVYZRYGNREL-VVZVMZHGSA-N	420.458	2.159	50	1	HEGF	
C=C1C[C@H](O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(O)CCl	238753337	FKRRWLGLGLGHLD-BZKPKAPTSA-N	418.873	2.237	50	1	HEGF	
COC(=O)CON=C(C(=O)O)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587497515	IUSDXMDHNCHIDS-IBGZPJMESA-N	409.822	2.138	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12	2356501100	NTAPKTSBAKEYPS-PUHMQFGRSA-N	404.459	2.444	50	1	HEGF	
O=C(OC[C@@]1(O)[C@@H](OC(=O)c2ccccc2)[C@H](O)C=C[C@H]1Cl)c1ccccc1	2356684297	QATWSOQILGAVIA-WIRSXHRWSA-N	402.830	2.338	50	1	HEGF	
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccco1	49124962	INHCKFVIFACIHR-GOSISDBHSA-N	410.455	2.232	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1cccc(F)c1)B(O)O	195468635	OPCQOUJQPVOBAC-OALUTQOASA-N	400.259	2.230	50	1	HEGF	
NNC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)O)[nH]c2c1	587089128	KCXBEYNYLCLIDQ-UHFFFAOYSA-N	420.216	2.249	50	1	HEGF	
COc1ccc(/C=N/C(C#N)=C(/C#N)NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1	102399743	VNYDYFJKKDFGCO-HEILBLLRSA-N	423.454	2.369	50	1	HEGF	
Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(N)nc(NCCn2ccc(O)nc2=O)n1	1772608879	OUNANIDKGUAJSA-ONEGZZNKSA-N	419.445	2.379	50	1	HEGF	
CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1	586984398	LDXMVMHBJZREOA-INIZCTEOSA-N	416.279	2.349	50	1	HEGF	
COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCC(=O)O	1772603603	AWXLXJWAOREOPC-HNNXBMFYSA-N	419.305	2.036	50	1	HEGF	
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl	37539141	QSXUMRLTTSXLEV-RNEXODBNSA-N	418.914	2.372	50	1	HEGF	
CCCCC[C@H](O)CC1=C([C@H](Cl)OC)C(=O)[C@@H]2O[C@]2(CC=C(C)C(=O)O)[C@@H]1O	2356490516	LLXPVCOJUSFMCM-RSOJTVFVSA-N	416.898	2.328	50	1	HEGF	
Cc1nn([C@H](C)C(=O)NN)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587879468	QAGVNHSVNYABGL-CYBMUJFWSA-N	422.316	2.068	50	1	HEGF	
Cc1ncsc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1	618007773	POSMQCOPNJKCIS-AWEZNQCLSA-N	416.638	2.363	50	1	HEGF	
CN(C)CCSSCCN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O	618009431	CXPKJJAXTIXBES-CYBMUJFWSA-N	409.618	2.052	50	1	HEGF	
NNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1O)NC(=O)c1ccccc1	5835237	LIJLCTNPTCDAMU-RGEXLXHISA-N	416.437	2.405	50	1	HEGF	
O=C(OC[C@@]1(O)[C@@H](OC(=O)c2ccccc2)[C@@H](O)C=C[C@H]1Cl)c1ccccc1	2356684295	QATWSOQILGAVIA-NYUBLWNDSA-N	402.830	2.338	50	1	HEGF	
COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2nc(C)c(C)nc2C)C(=O)[C@H]1Cl	1772613503	XPZDHLRYFBXDMA-WVBURXTLSA-N	411.911	2.056	50	1	HEGF	
O=C1[C@H]2[C@H](C(=O)N1c1nccs1)[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br	102631915	AHPXHHAPHJBUJZ-OJEIPOMOSA-N	406.099	2.425	50	1	HEGF	
N[C@](CCCCB(O)O)(C(=O)O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1	170188835	UOHICPTVJVFMJP-SFHVURJKSA-N	411.695	2.009	50	1	HEGF	
C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1	100630437	ZFKPOKNTFMTPJB-MOTRRSQXSA-N	418.921	2.397	50	1	HEGF	
CC(=O)OCC1=C2[C@H](OC1=O)[C@H]1O[C@@]1(C)CCC=C(C=O)C[C@H]2OC(=O)CC(C)C	2356634272	BJXNZMRTVPTJJY-QEMXTEJRSA-N	420.458	2.196	50	1	HEGF	
CCOc1cc(/C=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)ccc1O	73067606	XIUCSQKTDOUDLY-STZFKDTASA-N	417.487	2.339	50	1	HEGF	
O=C1[C@@H]2[C@H]3C[C@H]([C@@H]2C(=O)N1c1ccccn1)[C@@H](Br)[C@@H]3Br	169295485	OYOUDKVZJGPDSU-NIXUXMNCSA-N	400.070	2.364	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(C=O)[C@]12O	2356815948	CXDPJDYGYSRNDR-OVOMFJRRSA-N	416.470	2.379	50	1	HEGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)cc2)C1	618010160	QUJKVNWDICTWJD-INIZCTEOSA-N	411.593	2.304	50	1	HEGF	
C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O	149794099	RTEMYTVPGXXMRH-MFKUBSTISA-N	424.476	2.168	50	1	HEGF	
NNC(=O)COc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587882112	LSMOEGAAHQMUHO-UHFFFAOYSA-N	406.269	2.073	50	1	HEGF	
Cc1cc(-c2nc3cc(C(=O)NN)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F	587126280	XAZJJFNJXFDIIW-UHFFFAOYSA-N	413.381	2.403	50	1	HEGF	
CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(=O)c4cccc5cccc3c45)C(C#N)=C(N)N2C1	653708772	VMNAQCLDUQQPOY-JOCHJYFZSA-N	401.426	2.359	50	1	HEGF	
COc1ccc(C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O)c(Cl)c1	1857606006	IUZAVACFOSUDSF-SJORKVTESA-N	412.723	2.036	50	1	HEGF	
Cc1cc(Cl)ccc1NC(=O)CCC(=O)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O	13119133	HIKKFOIMNCNZEV-ZRDIBKRKSA-N	404.810	2.171	50	3	HEGF	
C/C(=C(\CCO)SSC[C@H]1CCCO1)N(CO)Cc1cnc(C)nc1N	3830881	JVXSJOXTMQICOI-WMJYUBJYSA-N	400.570	2.293	50	1	HEGF	
NNC(=O)c1ccc(C2=NN=C3c4ccc(CNC5CCC(O)CC5)cc4C[C@H]23)s1	89469181	CWDRUTAIQBKANJ-DQPZFDDXSA-N	423.542	2.124	50	1	HEGF	
NNC(=O)c1c[nH]c2ccccc2c1=Nc1ccc(NCCCN2CCOCC2)cc1	473153063	XZAFXRJWFALIFR-UHFFFAOYSA-N	420.517	2.138	50	1	HEGF	
CCC=CC1=C(C[C@@H](C=C(C(=O)O)[C@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O	2356586633	IRKXZIBEKDUKQO-NEPJUHHUSA-N	408.403	2.326	50	1	HEGF	
COc1ccc(CCN2[C](N)C(C#N)=Cc3c2nc2ccccn2c3=O)cc1OC	2356815232	KQRIDPRCZJTCNS-UHFFFAOYSA-N	402.434	2.130	50	1	HEGF	
C/C(=N/NC(=O)[C@H](C)S[C@H](C)C(=O)N/N=C(/C)c1cccnc1)c1cccnc1	17325263	MELPHSILISUKLF-SXTXAOLZSA-N	412.519	2.367	50	1	HEGF	
Cc1cc(-c2ccccc2)cc(C)[n+]1CC(=O)NNc1ccc(S(N)(=O)=O)cc1	13804300	QNSXGUYUNRFMRT-UHFFFAOYSA-O	411.507	2.049	50	1	HEGF	
CC1=C[C@@H]2[C@@H](CC(C=O)=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(=O)C(C)C)[C@H](O)[C@@H](C)[C@@]32O)C1=O	1857561327	OUIVOLNRYSLLQM-ZDBFGQLKSA-N	416.514	2.229	50	1	HEGF	
Cc1ccccc1S(=O)(=O)c1c(C(=O)NNCCO)[nH]c2ccc(Cl)cc12	35001638	UTYCKLKUQSHGLC-UHFFFAOYSA-N	407.879	2.189	50	1	HEGF	
O=C(CCCCCC(=O)N/N=C/c1cc2c(cc1Br)OCO2)NO	62233503	DJQSNKHQDKDUDE-CAOOACKPSA-N	400.229	2.084	50	1	HEGF	
C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O	149793674	RIWOOTGLSVFCSY-WGOQTCKBSA-N	417.513	2.260	50	1	HEGF	
CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@]1(C)C(C=O)=CC[C@H](OC(C)=O)[C@H]1C	2356388556	JVPQVYZRYGNREL-CTYFHSCFSA-N	420.458	2.159	50	1	HEGF	
O=NN(CCCl)C(=O)NCCSSCCNC(=O)N(CCCl)N=O	5496797	XWPCYYOZOJKYKQ-UHFFFAOYSA-N	421.332	2.231	50	1	HEGF	in-man
O=C(c1ccc2nc(CCCCBr)[nH]c2c1)N1CCN(CCO)CC1	586972410	QBFQWJCKLBPWDP-UHFFFAOYSA-N	409.328	2.031	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@H]2OC1=O	38967511	GDXCVSFALPNRCV-DZDBYSCMSA-N	400.899	2.335	50	1	HEGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccncc2F)C1	618007817	QYQDQKCJGCUKKD-AWEZNQCLSA-N	414.572	2.132	50	1	HEGF	
O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1	100986338	YBYHNUMMEUWUFV-GASCZTMLSA-N	421.544	2.294	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OCC)[C@H](OC(=O)C(C)=CC)[C@H]12	2356641711	ZSPXQNHVFRBKSX-YSTOQKLRSA-N	404.459	2.205	50	1	HEGF	
CCCN[P@@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	73195997	DIUNCJQSIXEWSC-RNVJJSLUSA-N	420.794	2.217	50	1	HEGF	
Cc1noc2c(Cc3ccccc3)nn(CC(=O)N/N=C\c3ccccc3)c(=O)c12	49803869	KAYGTZRUSHWOIJ-QRVIBDJDSA-N	401.426	2.434	50	1	HEGF	
CC(=O)OCC1=C2[C@@H](OC(=O)CC(C)C)C/C(C=O)=C\CC[C@@]3(C)O[C@@H]3[C@@H]2OC1=O	238767026	BJXNZMRTVPTJJY-AEDYUZDUSA-N	420.458	2.196	50	1	HEGF	
O=C(CBr)NCCc1nc2ccc(I)cc2[nH]1	586971713	XKSWSDBGNVTYJZ-UHFFFAOYSA-N	408.037	2.221	50	1	HEGF	
CCCOc1c(B(O)O)cc(C)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C	962615968	AUBHTSRYHANMGF-VFNWGFHPSA-N	413.323	2.447	50	1	HEGF	
CCOC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2c(-c3ccccc3)noc2C)C1=O	15837322	STFGUIUBJWQTLV-SDNWHVSQSA-N	410.386	2.432	50	3	HEGF	
O=C(NNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1csc(N2CCOCC2)n1	12803519	GYINBCHGHUFNSO-NFAYLAGKSA-N	424.954	2.319	50	1	HEGF	
O=C(OCCCl)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F	40379154	KBOVJDQVQGUYCJ-UHFFFAOYSA-N	412.784	2.136	50	1	HEGF	
C[C@@H](Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)NN	587881782	BHSCIPIKMWWITC-CYBMUJFWSA-N	420.296	2.461	50	1	HEGF	
CCCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O	149810471	JZPKFXFWEPTHQI-WGOQTCKBSA-N	419.529	2.484	50	1	HEGF	
NCCSSCCNC(=O)C1CCN(C(=O)c2ccc(Cl)nc2)CC1	618007997	VZUDGGPTBZMBDL-UHFFFAOYSA-N	402.973	2.044	50	1	HEGF	
OB(O)c1ccc([C@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(F)c1	962953250	IFZNOIWFMGRBMV-SFHVURJKSA-N	409.188	2.265	50	1	HEGF	
COc1cc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)c(Br)cc1O	95808825	ICDNDGSCHDFRDC-QGMBQPNBSA-N	408.208	2.046	50	1	HEGF	
Cc1ncsc1C(=O)N1CCC[C@@H](C(=O)NCCSSCCN(C)C)C1	618007995	POSMQCOPNJKCIS-CQSZACIVSA-N	416.638	2.363	50	1	HEGF	
CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@H]1n1ccc(O)nc1=O	299816861	VPXFRHSNKICYPX-HLPPOEQASA-N	400.548	2.024	50	1	HEGF	
Cc1csc(C(=O)NNC(=O)CN2CC[C@@H](NCc3ccc(Cl)cc3)C2)c1	28384504	ADQWNJNQMVFWIM-MRXNPFEDSA-N	406.939	2.335	50	1	HEGF	
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(CCl)NC(C)C)O2)c(=O)[nH]c1=O	73141925	PEIPWGFATRIKTM-RNVJJSLUSA-N	420.794	2.215	50	1	HEGF	
COc1ccc(Cn2cc(C(=O)NN=C3C(=O)Nc4ccc(Cl)cc43)nn2)cc1	1857603666	FJRWCMVXYOJZIK-UHFFFAOYSA-N	410.821	2.075	50	1	HEGF	
COC(=O)CS[C@@H]1CCN(C(=O)/C=C/c2nc(C)c(C)nc2C)C(=O)[C@@H]1Cl	1772613502	XPZDHLRYFBXDMA-SCYVGKGRSA-N	411.911	2.056	50	1	HEGF	
COC1=C/C(=C/NNC(=O)CCC(=O)Nc2ccc(Br)cc2)C=CC1=O	12475342	VFXDFCPTMYKRNB-VAWYXSNFSA-N	420.263	2.342	50	3	HEGF	
CC(=O)NCc1ccc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1	963475000	YLLOEQQVLKSIHI-RXVVDRJESA-N	402.878	2.418	50	1	HEGF	
CC(=O)NNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1	205655307	VGHVZNISWFRBRE-UHFFFAOYSA-N	404.434	2.191	50	1	HEGF	
COc1ccc(B(O)O)cc1[C@@H]1NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21	962952281	HADNTXVESKLHCO-LJQANCHMSA-N	421.224	2.135	50	1	HEGF	
N#C/C(=C/c1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587189176	YYTJSWXNQCJPDQ-RGEXLXHISA-N	401.470	2.377	50	1	HEGF	
CC1=CC2=C(C=O)C3=C(C(=O)CCCCC[C@H](C)O)C(=O)O[C@]3(C)[C@H](O)C2=CO1	14658768	WCGBANPPJMWUAY-MPEVJZSWSA-N	402.443	2.187	50	1	HEGF	biogenic
O=NN(CCSSCCN(N=O)C(=O)NCCCl)C(=O)NCCCl	28765172	MCJTWBSHHKUHDE-UHFFFAOYSA-N	421.332	2.231	50	1	HEGF	
CC(=O)NCc1ccc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cc1	963474999	YLLOEQQVLKSIHI-GHTZIAJQSA-N	402.878	2.418	50	1	HEGF	
O=C1c2ccccc2C(=O)c2c(NC[C@@H](Cl)CO)ccc(NC[C@@H](Cl)CO)c21	26849839	FXUVEZHXPDSXIA-VXGBXAGGSA-N	423.296	2.485	50	1	HEGF	
Cc1c2c(nn1CC(=O)N/N=C/c1ccccc1)-c1ccccc1S(=O)(=O)N2C	45253122	JKLKGMLYUXPWHT-CIAFOILYSA-N	409.471	2.147	50	1	HEGF	
CN(C)NC(=O)[C@@H](c1ccc(-c2ccc(F)cc2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1	14947794	RPGAKTVFKMPMOQ-UFYCRDLUSA-N	416.472	2.067	50	1	HEGF	
CN(CCCl)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5	100999840	QMCIDHSSEHCMRS-QZWSAVPRSA-N	418.965	2.496	50	1	HEGF	
O=C(CBr)NCCc1nc2cccc(I)c2[nH]1	586971838	ZSHVZHJLHGGUOQ-UHFFFAOYSA-N	408.037	2.221	50	1	HEGF	
CCCOc1c(B(O)O)cc(C=O)cc1[C@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21	962944199	HELOOXPFKNHJMQ-OYHNWAKOSA-N	406.291	2.463	50	1	HEGF	
COc1cc2c(c(OC)c1OC)C(=O)[C@H](Br)[C@H]2NC(=O)NCCCl	5537578	WIEHQZCTAYGORB-MNOVXSKESA-N	421.675	2.251	50	1	HEGF	
N#C/C(=C\c1cccc(O)c1)C(=O)NCCCNC(=O)/C(C#N)=C/c1cccc(O)c1	13676694	YUMJLCUUCXSGTH-XOBNHNQQSA-N	416.437	2.234	50	1	HEGF	
Cc1ccc(S(=O)(=O)c2c(C(=O)NNCCO)[nH]c3ccc(Cl)cc23)cc1	35001640	GYSKMIZOOAATRX-UHFFFAOYSA-N	407.879	2.189	50	1	HEGF	
COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)ccc1O	5663488	YCHMHIPPMJWXPU-DLBZAZTESA-N	403.822	2.195	50	1	HEGF	
COCN1C(=O)[C@@H]2C[C@@H](OC/C=C/CBr)CN2C(=O)c2ccccc21	5924252	AONVJJPGXXAGRG-GNVQUDOXSA-N	409.280	2.188	50	1	HEGF	
COc1cc(Br)cc(/C=N/NC(=O)c2cccc(C(=O)NO)c2)c1O	95808830	WAOHANALWFKCJO-QGMBQPNBSA-N	408.208	2.046	50	1	HEGF	
CS(=O)(=O)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1	201288040	IYZQXWXELQNSSL-CGOBSMCZSA-N	401.275	2.354	50	1	HEGF	
O=C(NN=C1C(=O)Nc2ccc(Cl)cc21)NN=C1C(=O)Nc2ccc(Cl)cc21	1911585313	BDQKSIYTWYHHBL-UHFFFAOYSA-N	417.212	2.305	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OCC)[C@@H](OC(=O)C(C)=CC)[C@@H]12	2356641710	ZSPXQNHVFRBKSX-FYQPLNBISA-N	404.459	2.205	50	1	HEGF	
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)cc(OC)c1OC	84690160	RLJCABVBQBZGRI-VVJWVBNBSA-N	416.430	2.321	50	1	HEGF	
Cn1nc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2c1=O	103643294	ZUHVWOBNMHUZCE-VKAVYKQESA-N	401.382	2.459	50	1	HEGF	
COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@H]([C@@](O)(CO)CCl)O4	14682415	ZUSJOVPHCLENRE-QRWLVFNGSA-N	406.818	2.229	50	1	HEGF	biogenic
COc1cccc2c1O[C@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O	169292340	GVSAUUZXMJYVGS-DCONWNQBSA-N	408.834	2.068	50	1	HEGF	
O=C(CBr)NCCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586971641	VBVYCOOTIWKILN-UHFFFAOYSA-N	406.034	2.287	50	1	HEGF	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1nnc(O)c2nc(-c3ccccc3)ncc12	1911575314	QKOBISFDYKRCAB-LSHDLFTRSA-N	415.369	2.465	50	1	HEGF	
Nc1nc(C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n[nH]1	49767300	IJCRORJUOYBZQY-UHFFFAOYSA-N	403.483	2.134	50	1	HEGF	
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H]2OC(=S)O[C@@H]12	195492915	BPEOZWDRWRDXPZ-FQMFCJFBSA-N	423.571	2.397	50	1	HEGF	
C[C@]1(c2ccc(B(O)O)cc2F)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21	962958969	QVEBJFMIBSZOQL-LJQANCHMSA-N	423.215	2.439	50	1	HEGF	
CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O	100778134	RKHYCZRKSYBVGA-KRYGIPSASA-N	420.458	2.019	50	1	HEGF	endogenous,in-man
COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(OC(F)(F)F)cc1B(O)O	963050561	CPCWNVITBYHGQF-IBGZPJMESA-N	418.180	2.057	50	1	HEGF	
O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(F)cc1	29565655	FUIHSLXOHKGZPY-INIZCTEOSA-N	417.441	2.349	50	1	HEGF	
CN(CCCl)[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	253638431	QMCIDHSSEHCMRS-CSGCFWLZSA-N	418.965	2.496	50	1	HEGF	
C#C[C@H](O)[C@@H]1C[C@@H]2O[C@]3(C[C@@H]2O1)O[C@H]([C@@H](Br)CC)C[C@@H]3Br	2356795444	MAUBBGAKWPISAF-MNOXRZQMSA-N	424.129	2.349	50	1	HEGF	
COc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)c(F)c1OC	84723847	HRMAKTAHFNZSMZ-QPHXDFOYSA-N	404.394	2.452	50	1	HEGF	
CC(=O)OC(CCO[P@](=O)(N(C)C)N(CCCl)CCCl)OC(C)=O	26153996	JCXUWIRCPBHOJJ-XMMPIXPASA-N	407.231	2.295	50	1	HEGF	
CCCOc1c(B(O)O)cc(C=O)cc1[C@@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21	962944201	HELOOXPFKNHJMQ-QRQCRPRQSA-N	406.291	2.463	50	1	HEGF	
CCCN(CCCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(C)N=O	5784905	PUFIBAHYLNBWJV-SFHVURJKSA-N	405.499	2.423	50	1	HEGF	
Cc1nnc(Sc2ccc(/C=N/NC(=O)CCCCCCC(=O)NO)o2)n1C	95808239	UQMBNFXIUJOROU-WOJGMQOQSA-N	408.484	2.164	50	1	HEGF	
COC1=C/C(=C/C(C#N)=C2\NN=C(N3CCOCC3)N2c2ccccc2)C=CC1=O	13119121	WQAPFZLQDQLMHQ-ZXRZTKJZSA-N	403.442	2.030	50	3	HEGF	
CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCl)c1c(O)nc(=O)n(CCOC)c1N	963222691	BUPPOWUBBGMTQV-QKKBWIMNSA-N	420.941	2.317	50	1	HEGF	
NNC(=O)c1c(N/C(O)=N/S(=O)(=O)c2ccccc2)sc2c1CCCCC2	45287009	OEOJRNQLBGYGKM-UHFFFAOYSA-N	408.505	2.335	50	1	HEGF	
CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)/C(=N/NC(N)=O)C[C@H]1[C@@H]2C(=O)OC	1772650845	MOELFRFATZRRGM-KYDBKLAHSA-N	411.506	2.232	50	1	HEGF	
CO[C@@H]1O[C@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1Br	195425520	JOGIRHAQWGMTAO-OIRVYTLQSA-N	424.085	2.103	50	1	HEGF	
C/C(C=O)=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@@]14C(=O)c1c(O)cccc1O[C@@]342	299852500	SWWBBHAILYXXQH-MCQRZKBFSA-N	410.422	2.145	50	1	HEGF	
CCC[C@H](O)C1=C(Br)[C@](CI)(OC)OC1=O	13379609	YRYRVZXFQIQXET-QUBYGPBYSA-N	405.026	2.131	50	1	HEGF	biogenic
C/C(=N\NC(=O)c1ccncc1)c1cccc(/C(C)=N/NC(=O)c2ccncc2)n1	28472940	MYOXIVVMXFXRIM-LVSXPEEVSA-N	401.430	2.180	50	1	HEGF	
COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(/C=C/C=O)cc2OC)ccc1O	45285236	DWGMCUNRIQYVFE-UHDDOPSISA-N	404.415	2.103	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1	15110464	CICWEHOIACOOIN-NEYQLMPBSA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
CC(=O)CCC(=O)Nc1cccc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1	169316798	SSZABHYIRDQAPR-WJDWOHSUSA-N	400.387	2.165	50	1	HEGF	
C=CCN1N=C[C@]2(c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N32)[C@@H](Cl)C1=O	962626645	CFEIDQCSLUQXMT-DQLDELGASA-N	412.877	2.150	50	1	HEGF	
C=CCN1N=C[C@]2(N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[C@@H](Cl)C1=O	962708912	LCEXIRFIOQTVDC-DVOMOZLQSA-N	419.762	2.260	50	1	HEGF	
N#C/C(=C\c1ccccc1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1	49781450	DPWKEHRNGKFESD-GDAWTGGTSA-N	416.437	2.234	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(=O)/C(C)=C\C)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(C)=O)[C@H]1C(=C)C=O	238779234	XOFKISJIPOLCGP-LTPCHZMNSA-N	402.443	2.471	50	1	HEGF	
C[C@]12C[C@@H](O)[C@H]3C[C@@]3(CO)[C@@H]1C[C@H](O)[C@H]1C[C@](C)([C@H](Br)CO)CC=C12	166568095	WENFBHAAQKXLBV-GULPDUOBSA-N	415.368	2.235	50	1	HEGF	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)nc2)cc(Br)c1O	299869079	TZJRTGHDAYCHGF-FBCYGCLPSA-N	407.224	2.281	50	1	HEGF	
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OCC)[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12	523041621	NTAPKTSBAKEYPS-LKCJANIXSA-N	404.459	2.444	50	1	HEGF	biogenic
CN1C(=O)C[C@@H]2CN[C@@]3(CCCC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963034342	RFOAXTUARJDRBE-ZLOXQWCVSA-N	412.453	2.131	50	1	HEGF	
CC[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)n1cc(I)c(C)n1	587186059	ZINGSGXSGJAZPO-CYBMUJFWSA-N	424.246	2.275	50	1	HEGF	
C=C(C)C(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	169373036	BBVHLZVNYNLCNA-BXNXRFBQSA-N	424.877	2.108	50	1	HEGF	
CN1C(=O)C[C@@H]2CN[C@]3(CCCC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963034305	RFOAXTUARJDRBE-JCQPUDPBSA-N	412.453	2.131	50	1	HEGF	
Cc1csc(C(=O)NNC(=O)CN2CC[C@H](NCc3ccc(Cl)cc3)C2)c1	28384510	ADQWNJNQMVFWIM-INIZCTEOSA-N	406.939	2.335	50	1	HEGF	
Cn1c(O)c(C(=O)NNC(=O)c2ccc(Br)cc2)c(=O)c2ccccc21	15990538	SEUUTVWDKRCRLB-UHFFFAOYSA-N	416.231	2.081	50	1	HEGF	
O=C(CI)Nc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1	587368868	AVKOSIBYXNZWHE-UHFFFAOYSA-N	422.182	2.477	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cccnc1)c1ccc(Cl)cc1)B(O)O	195271291	QJANVDWKNCKKBH-MSOLQXFVSA-N	417.702	2.139	50	1	HEGF	
CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O	85597272	RKHYCZRKSYBVGA-DGIMUSOZSA-N	420.458	2.019	50	1	HEGF	in-man
N#CC1=C(N)N2C=CC=C[C@H]2N[C@@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F	621477867	RHCUENTVUBWRJT-PKOBYXMFSA-N	403.408	2.289	50	1	HEGF	
COc1cc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)ccc1O	1633108	YCHMHIPPMJWXPU-IAGOWNOFSA-N	403.822	2.195	50	1	HEGF	
CC(C)c1cc(C(=O)N2CCc3onc(C(=O)NCCCl)c3C2)c(O)cc1O	169311788	VVFOMJFVCQAVCD-UHFFFAOYSA-N	407.854	2.376	50	1	HEGF	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)cc1OC	95808181	GXBJEZHDXIYICM-DJKKODMXSA-N	422.235	2.349	50	1	HEGF	
CCCC[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1cccc(F)c1)B(O)O	195468649	SSESPYGWDZPMGQ-MOPGFXCFSA-N	400.259	2.374	50	1	HEGF	
O=C(Nc1ccccc1B(O)O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cn1	1857743698	OCAHUHKGYSDXIS-UHFFFAOYSA-N	403.125	2.220	50	1	HEGF	
C=CCN1N=C[C@]2(c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N32)[C@H](Cl)C1=O	962626651	CFEIDQCSLUQXMT-HBGVWJBISA-N	412.877	2.150	50	1	HEGF	
NNC(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1	587269156	HNSUOOSPVQOJHF-UHFFFAOYSA-N	408.418	2.094	50	1	HEGF	
C/C(=N/NC(=O)[C@H](C)S[C@H](C)C(=O)N/N=C(\C)c1cccnc1)c1cccnc1	4758949	MELPHSILISUKLF-NEEYENBXSA-N	412.519	2.367	50	1	HEGF	
CN(C)CCNC(=O)c1c([N+](=O)[O-])ccc(N(CCCl)CCCl)c1[N+](=O)[O-]	5733371	PSFSTGUTQMCFOL-UHFFFAOYSA-N	422.269	2.078	50	1	HEGF	
Cc1cn([C@H]2C[C@H](SSC(Cl)(Cl)Cl)[C@@H](CO)O2)c(=O)[nH]c1=O	40394931	SRWGKIDJLZBHAN-GJMOJQLCSA-N	407.728	2.203	50	1	HEGF	
COc1ccccc1OC[C@H](O)Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NN	40936043	GDCMBYQFXAJHJM-OAHLLOKOSA-N	416.865	2.256	50	1	HEGF	
O=C(CCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(S(=O)(=O)O)o1	95808328	PQGDCVQHTBVJHV-XDHOZWIPSA-N	423.447	2.271	50	1	HEGF	
O=C(NC[C@H]1CN(c2ccc3c(c2)OC[C@@H]2CCCN32)C(=O)O1)C(Cl)Cl	27311506	BMKNLTPWCVZCQT-RYUDHWBXSA-N	400.262	2.293	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O	14681037	VNRLQDGXGABKPC-ATKPUVBQSA-N	416.470	2.235	50	1	HEGF	endogenous,in-man
O=C(CBr)NCCc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	586971047	KYEDIKKJMLPJDD-UHFFFAOYSA-N	412.243	2.392	50	1	HEGF	
CN(C)CCNC(=O)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc1N(CCCl)CCCl	5742095	ZAXMJMZOKMBCBA-UHFFFAOYSA-N	422.269	2.078	50	1	HEGF	
COc1cccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2ccccc2)c1	195463784	ZTLLQUORWXYBKC-UXHICEINSA-N	412.295	2.099	50	1	HEGF	
COC(=O)[C@]1([C@H](C)Br)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21	962649470	XFHWZPXRKOKXAW-BKOMCJNNSA-N	421.291	2.485	50	1	HEGF	
Cc1nc(C(=O)NNC(=O)[C@@H](N)Cc2ccc(O)cc2)cc2c1[nH]c1ccccc12	73129586	FMEQZMVHKVBLAD-KRWDZBQOSA-N	403.442	2.061	50	1	HEGF	
C[C@]1([C@@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(O)CC[C@H]3[C@H](O)C[C@@]21C	140628647	UUTZXOAJMKWEJE-WNEWSIEESA-N	415.368	2.378	50	1	HEGF	
CN(C)CCSSCCCn1cc(CNC(=O)c2cc(C3CC3)on2)nn1	618009797	JRZLKVWIWIEBPF-UHFFFAOYSA-N	410.569	2.407	50	1	HEGF	
N#CC1=C(N)N2C=CC=C[C@H]2N[C@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F	621477864	RHCUENTVUBWRJT-HKUYNNGSSA-N	403.408	2.289	50	1	HEGF	
C=C(C)C(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2	101336798	BBVHLZVNYNLCNA-HIGWCYHKSA-N	424.877	2.108	50	1	HEGF	
COC(=O)[C@@H](NC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1)C(C)C	73355791	PEJJIFFRDNMODP-SJORKVTESA-N	418.365	2.154	50	1	HEGF	
CC(C)[C@@H](C(=O)NCCSSCCN(C)C)N1C(=O)c2ccccc2C1=O	618008870	MWDKJGDCIVKITP-INIZCTEOSA-N	409.577	2.366	50	1	HEGF	
N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1	170188901	ARDWWKALWVMWKW-FTRWYGJKSA-N	410.270	2.133	50	1	HEGF	
O=C(O)CC[C@H](NC(=O)Nc1ccc(N(CCCl)CCCl)cc1)C(=O)O	3944267	ZQQCQUGWJKNVFR-ZDUSSCGKSA-N	406.266	2.410	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@@H](NCc1cccnc1)c1cccc(Cl)c1)B(O)O	195469864	DRYVZXZHFKAKQR-MOPGFXCFSA-N	403.719	2.499	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)C1CCCCC1)c1cccc(F)c1)B(O)O	195475160	ZHWKAPNYWBEOCP-MOPGFXCFSA-N	406.307	2.496	50	1	HEGF	
CCC1=C/C(=C2\NNC(C)=C2c2nc3ccccc3s2)C(=O)C=C1OCC(=O)NN	104011050	KIYZYDGIHXXWGT-DEDYPNTBSA-N	423.498	2.199	50	3	HEGF	
O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1nccs1	169294223	AHPXHHAPHJBUJZ-NTXXKDEISA-N	406.099	2.425	50	1	HEGF	
Cc1nc2ccccc2n(CC(=O)NNC(=O)c2c(Cl)cccc2Cl)c1=O	138865676	ZNVSYBBFHLOQQZ-UHFFFAOYSA-N	405.241	2.473	50	1	HEGF	
C/C(NNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1)=C1/C=CC=CC1=O	18069265	PHUHVKYNUYTTHP-LVZFUZTISA-N	423.494	2.472	50	3	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@]3(O)C=C(C=O)[C@]12O	2356815951	CXDPJDYGYSRNDR-ZVGWPWKESA-N	416.470	2.379	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1	100782903	CICWEHOIACOOIN-NMZXBILASA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)[C@@H]2CC3C[C@@H]1CC(O)(C3)C2	101162608	OKSIVAIYFNVYGK-PFNDGVQLSA-N	408.539	2.362	50	1	HEGF	
CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C2\CCc3c(Cl)ccc(O)c32)c1	1857562680	ZHJORPAUWLAIBZ-HMMYKYKNSA-N	407.879	2.376	50	1	HEGF	
Cc1cc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)no1	169293571	IFPRZDPGAPGJEI-SDEUQREHSA-N	404.058	2.265	50	1	HEGF	
NNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1	587883114	WUBNIUHKXIFBML-UHFFFAOYSA-N	421.240	2.216	50	1	HEGF	
O=C1[C@@H]2Cc3nc[nH]c3[C@](CCl)(c3ccc4c(c3)CCC4)N2C(=O)[C@@H]2CCCN12	963221279	XDMDCRHOLXRPBU-SPEDKVCISA-N	410.905	2.139	50	1	HEGF	
O=C1C(=O)[C@H](Cl)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@@H]1Cl	587545127	GIYWRBUOHUDAND-JWUMNEAUSA-N	421.188	2.028	50	1	HEGF	
CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@@](C)(O)[C@@H](C)Cl)OC1=O	257423765	GDXCVSFALPNRCV-DUHCACLLSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
NNC(=O)c1c[nH]c2ccccc2c1=Nc1ccc(OCCCN2CCOCC2)cc1	473147882	GEQVIEACUIQISY-UHFFFAOYSA-N	421.501	2.105	50	1	HEGF	
C=C(C)C(=O)OC[C@]12CCC(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	27653866	BBVHLZVNYNLCNA-SQXVFPJBSA-N	424.877	2.108	50	1	HEGF	
CN(C)CCSSCCN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C(C)(C)O	618009432	CXPKJJAXTIXBES-ZDUSSCGKSA-N	409.618	2.052	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(=O)C(C)=CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(C)=O)[C@H]1C(=C)C=O	2356582800	XOFKISJIPOLCGP-WBNICFMRSA-N	402.443	2.471	50	1	HEGF	
CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)Nc2ccnn2C(N)=C1C#N	82053236	CHAYWXMXVBZFTJ-AWEZNQCLSA-N	419.325	2.120	50	1	HEGF	
C/C(=N\NC(N)=O)c1ccc2ncc([C@@H](O)c3c(F)cc4ncccc4c3F)n2n1	96169134	LPOFILQRZWDFHB-VKRCVABQSA-N	411.372	2.030	50	1	HEGF	
COc1ccc2c(c1OC)[C@H](c1cc(C(F)(F)F)ccc1B(O)O)N(C)[C@H](C)C2	962620421	GTBRRGVBOVYVBL-ZMZPIMSZSA-N	409.213	2.368	50	1	HEGF	
C[C@@H]1CC[C@H]2C(COC[C@@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103183666	UQOYKUJSYIDIKX-HXCVSDDNSA-N	424.412	2.418	50	1	HEGF	
CO[C@H]1O[C@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1Br	195425528	JOGIRHAQWGMTAO-LARJDALCSA-N	424.085	2.103	50	1	HEGF	
CN1[C@H](SCCS(=O)(=O)O)CCO[P@]1(=O)N(CCCl)CCCl	58541394	KHCFJAOIAZNBJC-SBKAZYGRSA-N	415.301	2.173	50	1	HEGF	
COc1cc([C@@H](O)[C@H](CO)Oc2c(OC)cc(/C=C/C=O)cc2OC)ccc1O	141898192	DWGMCUNRIQYVFE-IKLBINMZSA-N	404.415	2.103	50	1	HEGF	
Cc1ccc(C(=O)NNC(=O)c2cc(S(N)(=O)=O)c(Cl)cc2Cl)cc1	15903994	WQUJCRUOTMPHIX-UHFFFAOYSA-N	402.259	2.024	50	1	HEGF	
COc1cc(N)c(I)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1	587179265	SYVIIJUBYNJPNX-UHFFFAOYSA-N	423.214	2.029	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O	14681034	VNRLQDGXGABKPC-UUFPFFJJSA-N	416.470	2.235	50	1	HEGF	endogenous,in-man
O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)cc1)c1ccccc1	140910383	ZBCZMXQROPHZAC-UHFFFAOYSA-N	409.467	2.240	50	1	HEGF	
CC(=O)OCC1=C2[C@H](OC(=O)CC(C)C)CC(C=O)=CCC[C@]3(C)O[C@H]3[C@@H]2OC1=O	2356634269	BJXNZMRTVPTJJY-DEZRYOJYSA-N	420.458	2.196	50	1	HEGF	
CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O	85597270	RKHYCZRKSYBVGA-KKYRWEBSSA-N	420.458	2.019	50	1	HEGF	in-man
CN(C)CCSSCCCNC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C	618008904	NTRNMWIPNXBEJM-ZDUSSCGKSA-N	405.586	2.362	50	1	HEGF	
Cn1cncc1COP(=O)(NCCBr)NCCBr	1857746785	GTINCBZURCZOBA-UHFFFAOYSA-N	404.043	2.014	50	1	HEGF	
COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@@H](O)CCl)[C@H]1C2=O	195175457	GVSAUUZXMJYVGS-LTOZTIEFSA-N	408.834	2.068	50	1	HEGF	
CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@H](O)[C@H](O)CO1	64447241	XMINGTMXUWBJOO-IPMKNSEASA-N	421.365	2.235	50	1	HEGF	
O=C1[C@@H]2[C@@H]3C[C@H]([C@@H]2C(=O)N1c1nccs1)[C@@H](Br)[C@@H]3Br	169294220	AHPXHHAPHJBUJZ-JZHWRPJLSA-N	406.099	2.425	50	1	HEGF	
COc1cc(/C=N\NC(=O)[C@H]2Cc3c([nH]c4ccccc34)CN2)cc(OC)c1OC	103177989	KYLFGOSIXCHZEL-BYRCZEICSA-N	408.458	2.358	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1	13338659	CICWEHOIACOOIN-HEXXGFMTSA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
COc1cccc2c1O[C@@H]1C=C(OC[C@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O	169292341	GVSAUUZXMJYVGS-WQVQDQMGSA-N	408.834	2.068	50	1	HEGF	
CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1C[C@H](O)[C@H](O)CO1	64447239	XMINGTMXUWBJOO-OTWHNJEPSA-N	421.365	2.235	50	1	HEGF	
CCN(C)C(=O)Oc1cccc(CNC(=O)C[S@](=O)CCCCN=C=S)c1	1857618824	XSAWTVLBEUFHTO-HHHXNRCGSA-N	411.549	2.385	50	1	HEGF	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc2ccc(C(=O)O)c(O)c2n1	26505435	PKZCZJOXJSYLGZ-UHFFFAOYSA-N	413.302	2.212	50	1	HEGF	
CC(=O)[C@@H](O)C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC=O	2356747053	LNRMYPAQNOJJAE-KNQAVFIVSA-N	414.574	2.445	50	1	HEGF	
COc1cccc(/C(C)=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)c1	71296141	BUGWBYGTFOOCSW-UDWIEESQSA-N	401.444	2.096	50	1	HEGF	
CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@](C)(O)[C@H](C)Cl)OC1=O	257423766	GDXCVSFALPNRCV-MJZMMJCWSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
COc1ccc(Cl)cc1NC(=O)C/C(C)=N\NC(=O)C(=O)NCc1ccccc1	15913606	YXJBURICIJMBDD-CFRMEGHHSA-N	416.865	2.486	50	1	HEGF	
CCCCC[C@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O	100778130	RKHYCZRKSYBVGA-UZWKXWHHSA-N	420.458	2.019	50	1	HEGF	endogenous,in-man
CCCCn1c(=O)c2c(nc(C)n2S(=O)(=O)CCCCl)n(CCCC)c1=O	28239273	NBLQCFWHPFVQPI-UHFFFAOYSA-N	418.947	2.075	50	1	HEGF	
C[C@]1([C@@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(CO)C[C@H]3[C@H](O)C[C@@]21C	238750236	WENFBHAAQKXLBV-WNEWSIEESA-N	415.368	2.235	50	1	HEGF	
COc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N/N=C/c2ccc(C)cc2)cc1	45369814	UEZDHUPGPQTDFE-GRMYTIJRSA-N	405.458	2.218	50	1	HEGF	
O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(F)cc1	29565651	FUIHSLXOHKGZPY-MRXNPFEDSA-N	417.441	2.349	50	1	HEGF	
CN(CCBr)[P@@](=O)(OC[C@H]1CCCO1)On1nnc2ccccc21	299805704	JDRHDMJGVSCHTA-OIRASMEMSA-N	419.216	2.490	50	1	HEGF	
CCn1cc(C(=O)N/N=C/c2ccccc2)c(=O)c2cc(F)c(N3CCNCC3)cc21	1911582785	XFANQLMGISVRDN-VULFUBBASA-N	421.476	2.334	50	1	HEGF	
O=C1[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccccn1	169295487	OYOUDKVZJGPDSU-QQHVEISSSA-N	400.070	2.364	50	1	HEGF	
Cc1cc(C)nc(NC(=O)NS(=O)(=O)Oc2ccccc2OCCCl)n1	1857543513	FOXBCWVSLFVMKZ-UHFFFAOYSA-N	400.844	2.156	50	1	HEGF	
CO[C@@H]1O[C@H](CBr)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1Br	254114753	JOGIRHAQWGMTAO-DKKFBCOVSA-N	424.085	2.103	50	1	HEGF	
C/C(=C(\CCO)SSC[C@@H]1CCCO1)N(CO)Cc1cnc(C)nc1N	3830880	JVXSJOXTMQICOI-JORMNFRLSA-N	400.570	2.293	50	1	HEGF	
CC(C)CN(NC(=O)[C@@H](N)c1ccccc1)c1nc(C#N)ncc1Br	58576260	SPGXKMZANYVVMA-HNNXBMFYSA-N	403.284	2.304	50	1	HEGF	
C/C(=N\NC(N)=O)c1ccc2nnc([C@@H](C)c3c(F)cc4ncccc4c3F)n2n1	68248439	CSHZVESOAIYXSL-FJZSSBNBSA-N	410.388	2.495	50	1	HEGF	
C[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1	100630435	ZFKPOKNTFMTPJB-URLKXCBTSA-N	418.921	2.397	50	1	HEGF	
CCOc1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN)CC1	618007902	UGEWZTJTNHEGSC-UHFFFAOYSA-N	411.593	2.394	50	1	HEGF	
N#C/C(=C\c1ccccc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1	587189177	YYTJSWXNQCJPDQ-XMHGGMMESA-N	401.470	2.377	50	1	HEGF	
O=C(CNc1ccc(N2CCOCC2)nc1)N/N=C/c1ccc(Br)cc1	98083644	NMSDSFMEAVGSRQ-SSDVNMTOSA-N	418.295	2.243	50	1	HEGF	
CC1=C2[C@H](C[C@@H]3CC[C@H](O)[C@H](C)[C@]3(C)[C@@H]2OC(=O)[C@](C)(O)[C@@H](C)Cl)OC1=O	257423767	GDXCVSFALPNRCV-MPYXIMJCSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
O=NN(CCCl)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCl	28231067	OHRAODDYKPDXCZ-AWEZNQCLSA-N	400.266	2.366	50	1	HEGF	
COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)cc(F)c1OC	84713897	RCLKQYJPZMIQLF-NMONLQQWSA-N	404.394	2.452	50	1	HEGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cccc(O)c2)C1	618008142	SFXPDHZOVFCXLJ-MRXNPFEDSA-N	411.593	2.304	50	1	HEGF	
C[C@@]1(c2sccc2B(O)O)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21	962950269	FHXDNZHOOAMWEG-QGZVFWFLSA-N	411.254	2.362	50	1	HEGF	
CC(=O)NNC[C@H]1CN(c2ccc(OCCOCc3ccccc3)c(F)c2)C(=O)O1	27418408	GHRXFCPRFOSEGD-SFHVURJKSA-N	417.437	2.387	50	1	HEGF	
Nc1c(C(=O)NNC(=S)Nc2ccccc2)nnn1Cc1ccc(Cl)cc1	957880366	VOXCHXQIJGRQLR-UHFFFAOYSA-N	401.883	2.193	50	1	HEGF	
O=C(NO)c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1	95808977	IYSGCCUAVKIJSP-CNHKJKLMSA-N	406.192	2.061	50	1	HEGF	
C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(OC)cc3)CC2)c1O	45300853	UKXPVXYOJASRAQ-PCLIKHOPSA-N	422.529	2.397	50	1	HEGF	
COc1ccccc1N1CCN(CCC(=O)NNc2nncc3ccccc23)CC1	84615234	NWBBQOACEOGJQV-UHFFFAOYSA-N	406.490	2.294	50	1	HEGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(=O)c2ccccc2o1	618007950	NZHSFNJXCMCQGA-ZDUSSCGKSA-N	410.517	2.007	50	1	HEGF	
C=C1[C@H](OO)CC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2	238765063	WXLVRXBQCVFTIV-ZKFUMLHISA-N	400.512	2.240	50	1	HEGF	
C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	27653869	BBVHLZVNYNLCNA-SZQVNVPASA-N	424.877	2.108	50	1	HEGF	
COc1cccc2c1O[C@@H]1C=C(OC[C@@H]3CO3)C=C(OC[C@H](O)CCl)[C@@H]1C2=O	64527718	GVSAUUZXMJYVGS-IBKQYLNMSA-N	408.834	2.068	50	1	HEGF	
CC(=NNC(=O)[C@@H](C)S[C@H](C)C(=O)NN=C(C)c1cccnc1)c1cccnc1	254102324	MELPHSILISUKLF-HZPDHXFCSA-N	412.519	2.367	50	3	HEGF	
C=C(CCl)[C@@H]1CC[C@@]23O[C@@H]2[C@@H](C[C@@](C)(O)[C@H](O)c2cc(C=O)c(o2)C1)OC3=O	2356801356	RNEDRZXXIXKNIV-NARIODBBSA-N	410.850	2.077	50	1	HEGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2ccc3oc(C)noc(C)nc3c2)C(=O)OC1=O	169336521	YENNWOFLHPIODT-VVCCLSGDSA-N	401.331	2.223	50	1	HEGF	
OB(O)c1cc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1F	962634080	HRKORYCYAISGJI-RDPSFJRHSA-N	402.278	2.342	50	1	HEGF	
CCSc1ncccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)OC	618007581	ARPHKADJKGSVEF-ZDUSSCGKSA-N	403.595	2.408	50	1	HEGF	
CN1[C@H](SCCS(=O)(=O)O)CCO[P@@]1(=O)N(CCCl)CCCl	29399398	KHCFJAOIAZNBJC-CFMSYZGJSA-N	415.301	2.173	50	1	HEGF	
COc1ccccc1OC[C@@H](O)Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)NN	40936044	GDCMBYQFXAJHJM-HNNXBMFYSA-N	416.865	2.256	50	1	HEGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]2Cl	587706462	PYOWMTHVIFJAQX-ITBRYTBJSA-N	423.065	2.253	50	1	HEGF	
CCCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2	27518124	PXHINMSCYWOUIJ-HIXSDJFHSA-N	412.446	2.175	50	1	HEGF	
CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@H](O)[C@@](O)(CCCC)CC2=C1C(=O)OC2=O	100778131	RKHYCZRKSYBVGA-XUTBRHNUSA-N	420.458	2.019	50	1	HEGF	endogenous,in-man
O=S(=O)(c1ccc2nc(CCCCBr)[nH]c2c1)N1CCOCC1	586972012	BWPJRHDIZKIQAO-UHFFFAOYSA-N	402.314	2.301	50	1	HEGF	
COc1ccc(/C=N/NC(=O)[C@H](OC)c2ccc3c(c2)OCCO3)c(F)c1OC	84723843	HRMAKTAHFNZSMZ-NMONLQQWSA-N	404.394	2.452	50	1	HEGF	
COc1ccc(C(=O)N/N=C(C)/C(Cl)=N/Nc2ccc(S(N)(=O)=O)cc2)cc1	103230474	MVMAOSYUKDXULB-VEIYUHFWSA-N	423.882	2.113	50	1	HEGF	
COC(=O)C[C@]1(CCl)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C	963136938	HBOJFYBFLHJJNB-QFYYESIMSA-N	404.872	2.387	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@@H]3C)C[C@H]2OC1=O	13486246	GDXCVSFALPNRCV-UYUFZYTESA-N	400.899	2.335	50	1	HEGF	in-man
O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(Cl)cc1	1857602007	HASDELNDILGTJM-HOTGVXAUSA-N	417.256	2.216	50	1	HEGF	
CCOC(=O)NNC(=O)COc1cccc2c(=O)n(-c3ccccc3C)c(C)nc12	82157896	PHUUZSHZKXYKDZ-UHFFFAOYSA-N	410.430	2.159	50	1	HEGF	
CO[C@@H]1O[C@H](CBr)[C@H](OC(=O)c2ccccc2)[C@@H](O)[C@H]1Br	254114761	JOGIRHAQWGMTAO-VXUPGSCNSA-N	424.085	2.103	50	1	HEGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@H](Cl)C(=O)C(=O)[C@H]2Cl	587706469	PYOWMTHVIFJAQX-QCIOHUMDSA-N	423.065	2.253	50	1	HEGF	
CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl	2356410654	QSXUMRLTTSXLEV-LXWRTIBQSA-N	418.914	2.372	50	1	HEGF	
C=CCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21	64286918	UANLGMSXTBYRIW-PLRJNAJWSA-N	415.453	2.392	50	1	HEGF	
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCCSSCCN(C)C)cc1	618009454	YKMXRWBNJHCFRI-HNNXBMFYSA-N	419.638	2.111	50	1	HEGF	
COc1cc2nc(N3CCN(C(=O)[C@@H]4CCSS4)CC3)nc(N)c2cc1OC	13606748	PUSDBRIZNFZIFK-HNNXBMFYSA-N	421.548	2.032	50	1	HEGF	
CCN(CC)c1ccc(-c2nn(C(=O)CCC(=O)NN)c(=O)c3ccccc23)c(O)c1	587667373	KMGZGXHSUCHGNJ-UHFFFAOYSA-N	423.473	2.026	50	1	HEGF	
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@@H](C)Nc2cccc3ccccc23)C1=O	15974309	IDQUFAVUFCSELV-MLJWKTOOSA-N	408.414	2.419	50	3	HEGF	
OB(O)c1ccc([C@@H]2NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(F)c1	962953233	IFZNOIWFMGRBMV-GOSISDBHSA-N	409.188	2.265	50	1	HEGF	
CCCCC[C@@H]1CC2=C(C(=O)OC2=O)[C@@H](O)[C@](O)(CCCC)CC2=C1C(=O)OC2=O	85597271	RKHYCZRKSYBVGA-IPTDYSPRSA-N	420.458	2.019	50	1	HEGF	endogenous,in-man
CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(=S)O[C@@H]12	195492909	BPEOZWDRWRDXPZ-JDTTZNEISA-N	423.571	2.397	50	1	HEGF	
N[C@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)c(F)c1	170188905	ARDWWKALWVMWKW-KOLWVEQXSA-N	410.270	2.133	50	1	HEGF	
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OCC)[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12	523041682	NTAPKTSBAKEYPS-YOTXITHPSA-N	404.459	2.444	50	1	HEGF	biogenic
CCC=CC1=C(C[C@H](C=C(C(=O)O)[C@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O	2356586635	IRKXZIBEKDUKQO-RYUDHWBXSA-N	408.403	2.326	50	1	HEGF	
C/C(=N\N(C)C(N)=O)c1ccc2ncc([C@@H](O)c3cc4cccnc4cc3F)n2n1	96169132	ZQYTVOBQBFGOMW-ZDZUNBPVSA-N	407.409	2.233	50	1	HEGF	
O=C(OC[C@]1(O)[C@H](Cl)C=C[C@H](O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	238777971	QATWSOQILGAVIA-OOSNJVJTSA-N	402.830	2.338	50	1	HEGF	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	13676696	NAERVRYMUJMKEZ-KLCVKJMQSA-N	416.437	2.234	50	1	HEGF	
Cc1c2c(nn1CC(=O)N/N=C/c1cccs1)-c1ccccc1S(=O)(=O)N2C	45259021	BGLKULYJFZXAGX-VXLYETTFSA-N	415.500	2.209	50	1	HEGF	
Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3cccc(F)c32)c(C)n1-c1nc[nH]n1	962901560	JQIHZKZVTOALTD-KXBFYZLASA-N	403.845	2.433	50	1	HEGF	
COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C(=O)NN)c1	587878777	UBFSCYSHFMGHOA-UHFFFAOYSA-N	406.269	2.316	50	1	HEGF	
CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@]1(C)C(C=O)=CC[C@@H](OC(C)=O)[C@@H]1C	2356388558	JVPQVYZRYGNREL-GVLTYMPQSA-N	420.458	2.159	50	1	HEGF	
CN(CCCl)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5	100992628	QMCIDHSSEHCMRS-SSPLDBJCSA-N	418.965	2.496	50	1	HEGF	
O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(NC(C4CCC4)C4CCC4)ncnc32)[C@@H]1O	1857540877	NGHXZSXZJYSIMT-BGIGGGFGSA-N	407.902	2.065	50	1	HEGF	
NNC(=O)c1ccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c2c1	586970106	VRMZETGVYJKDFR-UHFFFAOYSA-N	410.415	2.237	50	1	HEGF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@](CCl)(c3ccc4c(c3)CCC4)N2C(=O)[C@@H]2CCCN12	963221275	XDMDCRHOLXRPBU-NPPFBWRTSA-N	410.905	2.139	50	1	HEGF	
O=C(CBr)NC[C@H]1CN(c2ccc3c(c2)-n2cccc2COC3)C(=O)O1	32063301	JSSIINUBMRUCIW-HNNXBMFYSA-N	420.263	2.344	50	1	HEGF	in-vivo
O=C(/C=C/c1ccc(F)cc1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1	22032528	QVJVLUVJMWEUAK-DHZHZOJOSA-N	410.493	2.194	50	3	HEGF	
CC(C)CC(=O)O[C@@H]1OC=C(CO)C2=C[C@H](OC(=O)CC(C)C)[C@](O)(CCl)[C@H]21	205244606	UKRMMXWGUMNREB-JOCLIGHLSA-N	416.898	2.292	50	1	HEGF	
COc1cc([C@@H]2[C@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC	5838687	KFYHYCDSWCLYFV-DLBZAZTESA-N	415.833	2.249	50	1	HEGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(C(F)(F)F)cc3)c2C)c(N)n1	103231837	BEHVVROLNSTCRJ-HCBMXOAHSA-N	418.383	2.098	50	1	HEGF	
CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)Nc2ccnn2C(N)=C1C#N	82053238	CHAYWXMXVBZFTJ-CQSZACIVSA-N	419.325	2.120	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(C)=O)[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)/C(C)=C\C)[C@H]1C(=C)C=O	15108189	MWGVFBDZYIRGKG-LTPCHZMNSA-N	402.443	2.471	50	1	HEGF	
COc1cccc2c1O[C@H]1C=C(OC[C@H]3CO3)C=C(OC[C@@H](O)CCl)[C@@H]1C2=O	169292342	GVSAUUZXMJYVGS-VHKVNPDBSA-N	408.834	2.068	50	1	HEGF	
COc1ccc2c(c1OC)[C@@H](c1cc(C(F)(F)F)ccc1B(O)O)N(C)[C@@H](C)C2	962620417	GTBRRGVBOVYVBL-BBATYDOGSA-N	409.213	2.368	50	1	HEGF	
CO[C@H]1O[C@@H](CBr)[C@@H](OC(=O)c2ccccc2)[C@@H](O)[C@@H]1Br	5810319	JOGIRHAQWGMTAO-GCQYFTOKSA-N	424.085	2.103	50	1	HEGF	
COc1ccc(CC(=O)N/N=C/[c-]2cc([N+](=O)[O-])cc(Br)c2=O)cc1	169689623	BPVANLZWMJXCLZ-GIJQJNRQSA-N	407.200	2.138	50	1	HEGF	
Cc1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(=O)NN)cc4[nH]3)CC2)cc1	586955570	RGKVSAHMTZFBMV-UHFFFAOYSA-N	413.503	2.043	50	1	HEGF	
CN1C(=O)C[C@H]2CN[C@]3(CCCC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963034338	RFOAXTUARJDRBE-ZAMGYDSWSA-N	412.453	2.131	50	1	HEGF	
COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	72124903	XWSBKCIDGUOXGD-LJQANCHMSA-N	418.457	2.330	50	1	HEGF	
O=C(NO)c1ccc(C(=O)N/N=C/c2ccc(I)cc2)cc1	95808573	BYIRGYZYZMJOCB-RQZCQDPDSA-N	409.183	2.174	50	1	HEGF	
O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl	587545126	GIYWRBUOHUDAND-BAEHMKOMSA-N	421.188	2.028	50	1	HEGF	
C=C(CCl)[C@@H]1CC[C@@]23O[C@@H]2[C@@H](C[C@@](C)(O)[C@@H](O)c2cc(C=O)c(o2)C1)OC3=O	2356801355	RNEDRZXXIXKNIV-MMYGRAOWSA-N	410.850	2.077	50	1	HEGF	
COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc3c(c2)OCCO3)cc(F)c1OC	84713899	RCLKQYJPZMIQLF-QPHXDFOYSA-N	404.394	2.452	50	1	HEGF	
CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1C[C@@H](O)[C@@H](O)CO1	64447449	XMINGTMXUWBJOO-QYZOEREBSA-N	421.365	2.235	50	1	HEGF	
C=C1C[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(O)CCl	2356488236	FKRRWLGLGLGHLD-VPYUWIHPSA-N	418.873	2.237	50	1	HEGF	
COC(=O)c1cc(Br)c2[nH]c(CCNC(=O)CBr)nc2c1	586971171	NMIVRBCYFHSZQX-UHFFFAOYSA-N	419.073	2.166	50	1	HEGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@H]2Cl	587706080	ORRQVGMGIAYHSG-ITBRYTBJSA-N	423.065	2.253	50	1	HEGF	
COC(=O)CS[C@H]1CCN(C(=O)/C=C/c2nc(C)c(C)nc2C)C(=O)[C@@H]1Cl	1772613499	XPZDHLRYFBXDMA-AQVLZCAOSA-N	411.911	2.056	50	1	HEGF	
C[N+](C)(C)CCCNC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1	26253061	KWCGGXMCYJTXJX-SFHVURJKSA-O	404.406	2.053	50	1	HEGF	
COc1ccc(C(=O)NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587878536	JJSZZYJBGBETCU-UHFFFAOYSA-N	406.269	2.316	50	1	HEGF	
CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@@H]1CC(O)(C3)C2	43640874	OKSIVAIYFNVYGK-ZGVGQOBWSA-N	408.539	2.362	50	1	HEGF	
Cc1ccnc(N/C(O)=N/S(=O)(=O)c2cc(NC(=O)CCl)ccc2Cl)n1	73200255	YFUIHIMJUKGLIK-UHFFFAOYSA-N	418.262	2.331	50	1	HEGF	
O=C1[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1nccs1	169294221	AHPXHHAPHJBUJZ-XEFZRCJWSA-N	406.099	2.425	50	1	HEGF	
CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@H](C=C(C)C1)OC(=O)[C@@]2(O)CCl	2356484602	AXEPFXQADBSHJP-DIKXUDHVSA-N	400.855	2.048	50	1	HEGF	
Cn1nnnc1SCC(=O)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1	103241799	TXOVQIBTSDJDCQ-XUTLUUPISA-N	423.527	2.454	50	1	HEGF	
CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(F)cc1)B(O)O	195470002	JYNZVDKPISYXEK-OALUTQOASA-N	400.259	2.230	50	1	HEGF	
CC=C1CN2CC[C@@]34C(=Nc5ccccc53)[C@H]2C[C@H]1[C@]4(C(=O)OC)C(=O)OC(C)=O	2356561523	GSUAXYSDIZYHQW-VIRUWPMXSA-N	408.454	2.314	50	1	HEGF	
COc1cccc2c(=O)c3c(OC)cc4c(c3oc12)C[C@@H]([C@](O)(CO)CCl)O4	14682419	ZUSJOVPHCLENRE-MGPUTAFESA-N	406.818	2.229	50	1	HEGF	biogenic
CC(=O)Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccs2)c1-c1ccccc1	84602787	YDUXTSHETLPZQZ-GRSHGNNSSA-N	422.430	2.101	50	1	HEGF	
C=C(CCl)[C@@H]1CC[C@@]23O[C@@H]2[C@@H](C[C@](C)(O)[C@@H](O)c2cc(C=O)c(o2)C1)OC3=O	2356801357	RNEDRZXXIXKNIV-PBVWWBLMSA-N	410.850	2.077	50	1	HEGF	
C/C=C1/CN2CC[C@]34C(=Nc5ccccc53)[C@@H]2C[C@H]1[C@@]4(C(=O)OC)C(=O)OC(C)=O	101433706	GSUAXYSDIZYHQW-WXSDQNGQSA-N	408.454	2.314	50	1	HEGF	
OB(O)c1cc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)ccc1F	962634081	HRKORYCYAISGJI-YKSBVNFPSA-N	402.278	2.342	50	1	HEGF	
CCOc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2C)cc1	1857630049	GPVBFOFCJVDSFX-UDWIEESQSA-N	401.444	2.096	50	1	HEGF	
O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(Cl)cc1	1857602009	HASDELNDILGTJM-JKSUJKDBSA-N	417.256	2.216	50	1	HEGF	
COc1ccccc1[C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1ccccc1	195463778	VAJBMJCFDKENTD-ICSRJNTNSA-N	412.295	2.099	50	1	HEGF	
CC[C@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)/C(=N/NC(N)=O)C[C@H]1[C@@H]2C(=O)OC	1772582448	MOELFRFATZRRGM-ILTGRRBKSA-N	411.506	2.232	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@@H]3O	48964479	VNRLQDGXGABKPC-METLCYJQSA-N	416.470	2.235	50	1	HEGF	endogenous,in-man
CCCCC[C@H](O)CC1=C([C@H](Cl)OC)C(=O)[C@@H]2O[C@@]2(CC=C(C)C(=O)O)[C@H]1O	2356490513	LLXPVCOJUSFMCM-AYETVRJLSA-N	416.898	2.328	50	1	HEGF	
C=CC[c-]1cccc(/C=N/NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)c1=O	169689423	SXNMKRZAFWZTOK-LPYMAVHISA-N	404.406	2.411	50	1	HEGF	
C=CCN1N=C[C@]2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[C@H](Cl)C1=O	962708923	LCEXIRFIOQTVDC-WOSRLPQWSA-N	419.762	2.260	50	1	HEGF	
CC(=NNC(=O)[C@H](C)S[C@H](C)C(=O)NN=C(C)c1cccnc1)c1cccnc1	254102327	MELPHSILISUKLF-IYBDPMFKSA-N	412.519	2.367	50	3	HEGF	
NNC(=O)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1	587188682	VKDWJCPLCMBRFI-UHFFFAOYSA-N	418.198	2.086	50	1	HEGF	
C#C[C@H](O)[C@@H]1C[C@@H]2O[C@]3(C[C@@H]2O1)O[C@H]([C@H](Br)CC)C[C@H]3Br	2356795445	MAUBBGAKWPISAF-XIBMPCDYSA-N	424.129	2.349	50	1	HEGF	
COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N/N=C/c2ccco2)cc1	45352702	MCUIASZROUUACL-BTVXTAIASA-N	407.426	2.485	50	1	HEGF	
NNC(=O)CCSCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660416	DMDOAZFNYOWUEV-UHFFFAOYSA-N	414.462	2.346	50	1	HEGF	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@H]1[C@H]3C(=O)N4CCCO[C@@H]4[C@@]34C=C[C@]1(C)O4)C2	1857589591	NHVYYPBQUMPCMS-WEAAUJQOSA-N	413.518	2.223	50	1	HEGF	
C=C[C@]1(C)[C@H](OC(=O)C(C)=CC)[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(C)=O)[C@@H]1C(=C)C=O	2356582799	XOFKISJIPOLCGP-RIOOZCNISA-N	402.443	2.471	50	1	HEGF	
O=C(O)CCCC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	44246993	YFNVGVHEIWRUGO-KRWDZBQOSA-N	400.387	2.483	50	1	HEGF	
C/C(=N/NC(=O)[C@@H](C)S[C@@H](C)C(=O)N/N=C(\C)c1cccnc1)c1cccnc1	18208990	MELPHSILISUKLF-IPCXNCLYSA-N	412.519	2.367	50	1	HEGF	
C=C1C(=O)CO[C@@H]2C=C(COC(C)=O)CC=C(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12	2356708966	JPLKIHFXKRXNIK-XXOQXHNZSA-N	404.459	2.493	50	1	HEGF	
O=C1c2ccccc2C(=O)c2c(NC[C@@H](Cl)CO)ccc(NC[C@H](Cl)CO)c21	26849832	FXUVEZHXPDSXIA-TXEJJXNPSA-N	423.296	2.485	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@@H]2[C@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1	230095522	CICWEHOIACOOIN-ZUQDHHQASA-N	410.422	2.069	50	1	HEGF	
CO[C@@H]1O[C@H](CBr)[C@H](OC(=O)c2ccccc2)[C@H](O)[C@H]1Br	254114759	JOGIRHAQWGMTAO-MPLKPFFPSA-N	424.085	2.103	50	1	HEGF	
CN1[C@@H](SCCS(=O)(=O)O)CCO[P@]1(=O)N(CCCl)CCCl	299811609	KHCFJAOIAZNBJC-FVINQWEUSA-N	415.301	2.173	50	1	HEGF	
O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(I)c1	1857563916	WRILZXKUOHKYFI-UHFFFAOYSA-N	420.203	2.054	50	1	HEGF	
Cc1cc(N2C(=O)[C@H]3[C@H]4C[C@@H]([C@@H](Br)[C@@H]4Br)[C@@H]3C2=O)no1	169293572	IFPRZDPGAPGJEI-SJCQGDPDSA-N	404.058	2.265	50	1	HEGF	
NS(=O)(=O)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)c(Cl)cc1Cl	58061843	LWAMOQPQBBBGPX-UHFFFAOYSA-N	422.677	2.369	50	1	HEGF	
CO[C@@H]1O[C@H](CBr)[C@H](OC(=O)c2ccccc2)[C@H](O)[C@@H]1Br	254114757	JOGIRHAQWGMTAO-GHMOJZLGSA-N	424.085	2.103	50	1	HEGF	
CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@@H](C=C(C)C1)OC(=O)[C@@]2(O)CCl	2356484603	AXEPFXQADBSHJP-FSNPWBFUSA-N	400.855	2.048	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@H]3O	257568732	VNRLQDGXGABKPC-BYCGNBQDSA-N	416.470	2.235	50	1	HEGF	endogenous,in-man
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OCC)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12	523041680	NTAPKTSBAKEYPS-PUYVFPNBSA-N	404.459	2.444	50	1	HEGF	biogenic
COC(=O)CON=C(C(=O)O)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3	587497532	IUSDXMDHNCHIDS-LJQANCHMSA-N	409.822	2.138	50	1	HEGF	
C[C@]1([C@@H](Br)CO)CC=C2[C@@H](C1)[C@H](O)C[C@@H]1[C@@]3(CO)C[C@H]3C(=O)C[C@@]21C	32298717	NHYCKINCKYZVGS-GYJKBUDBSA-N	413.352	2.443	50	1	HEGF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OCC)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356641712	ZSPXQNHVFRBKSX-ZRNYENFQSA-N	404.459	2.205	50	1	HEGF	
C=C1C(=O)CO[C@@H]2C=C(COC(C)=O)CC=C(C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12	2356708965	JPLKIHFXKRXNIK-QRAQMOIBSA-N	404.459	2.493	50	1	HEGF	
CCCC[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1cccc(F)c1)B(O)O	195468653	SSESPYGWDZPMGQ-OALUTQOASA-N	400.259	2.374	50	1	HEGF	
COc1cc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2ccc(NC(C)=O)cc2)ccc1O	5663514	YCHMHIPPMJWXPU-IRXDYDNUSA-N	403.822	2.195	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1	100782907	CICWEHOIACOOIN-SMUOAUQSSA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
COc1ncc(/C=N/NC(=O)c2ccc(C(=O)O)c(-n3c(C)ccc3C)c2)c(OC)n1	219909734	QNDVNHOVGGCOBP-FOKLQQMPSA-N	423.429	2.363	50	1	HEGF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1	587262261	GZXMSCSKCOFEJR-JTQLQIEISA-N	413.390	2.426	50	1	HEGF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1	587262262	GZXMSCSKCOFEJR-SNVBAGLBSA-N	413.390	2.426	50	1	HEGF	
CN1CCc2cn(C)nc2[C@]12/C(=C(/C#N)NCc1ccccn1)C(=O)c1ccccc12	963956351	XBCAITUESZHKHI-SKRYCIJKSA-N	410.481	2.310	50	1	HEGF	
N#CC1=C(N)N2C=CC=C[C@@H]2N[C@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F	621477866	RHCUENTVUBWRJT-MJGOQNOKSA-N	403.408	2.289	50	1	HEGF	
O=S(=O)(NN(CCCl)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1	26734262	RUJAWLBGCUOIRO-UHFFFAOYSA-N	409.316	2.463	50	1	HEGF	
COc1cc(/C=C/NNC(=O)CCCCCC(=O)NO)c(Br)cc1O	42891612	FSKJOVMZVFTQQU-BQYQJAHWSA-N	416.272	2.211	50	1	HEGF	
O=C(CCSCCC(=O)NN=Cc1ccccc1O)NN=Cc1ccccc1O	254046281	OYPNNXRUCQHQII-UHFFFAOYSA-N	414.487	2.212	50	1	HEGF	
COc1ccc(S(C)(=O)=O)cc1C(=O)NCCCSSCCN(C)C	618012714	YAAVZQPPJGSIEU-UHFFFAOYSA-N	406.595	2.162	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@H]2[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@@H](OC(=O)Cc2ccc(O)cc2)C1	100782909	CICWEHOIACOOIN-VCRYJMJPSA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
Cc1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1OCC(=O)NN	587881263	RVGVUJNHLGMAGI-UHFFFAOYSA-N	420.296	2.381	50	1	HEGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccc(O)c2)C1	618008141	SFXPDHZOVFCXLJ-INIZCTEOSA-N	411.593	2.304	50	1	HEGF	
CNc1ccc(C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	17655338	DZJYJYAXGBNEMK-PYCFMQQDSA-N	420.338	2.497	50	1	HEGF	
CN(CCBr)[P@](=O)(OC[C@@H]1CCCO1)On1nnc2ccccc21	27434153	JDRHDMJGVSCHTA-MCFWBGNESA-N	419.216	2.490	50	1	HEGF	
N#CC1=C(NCC(=O)O)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12	53313232	REPMDHYGDUNMGS-AZUAARDMSA-N	409.490	2.355	50	1	HEGF	
Cc1ncc(CO)c(/C=N/NC(=O)CCCCCC(=O)Nc2ccccc2O)c1O	95808348	BMBSXQLIBPKYAD-FSJBWODESA-N	414.462	2.333	50	1	HEGF	
C#C[C@H](O)[C@@H]1C[C@@H]2O[C@]3(C[C@@H]2O1)O[C@H]([C@@H](Br)CC)C[C@H]3Br	2356795442	MAUBBGAKWPISAF-CESIHYMESA-N	424.129	2.349	50	1	HEGF	
Cc1ccc(B(O)O)cc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21	963185203	KSODZAUHRWHUKU-BBRMVZONSA-N	413.588	2.035	50	1	HEGF	
COC1=CC(=O)c2c(cc(CO[P@@](N)(=O)N(CCCl)CCCl)n2C)C1=O	100891552	RZDVBPPNAUBBNJ-AREMUKBSSA-N	424.221	2.297	50	1	HEGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccncc2F)C1	618008073	QYQDQKCJGCUKKD-CQSZACIVSA-N	414.572	2.132	50	1	HEGF	
O=C(CCCCCC(=O)NN/C=C/c1cc2c(cc1Br)OCO2)NO	40937842	HXAKCNRDWDSHIL-VOTSOKGWSA-N	414.256	2.225	50	1	HEGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)C[C@H]1CC(=O)c2ccccc21	618008231	VPJQXCKQIBBFII-CJNGLKHVSA-N	410.561	2.348	50	1	HEGF	
C/C(=N\NC(N)=O)c1ccc2ncc([C@@](C)(O)c3cc4cccnc4cc3F)n2n1	96169138	QCPVGCKJHKWSHC-XPVFAOKESA-N	407.409	2.065	50	1	HEGF	
NCCSSCCNC(=O)C1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1	618007897	UEXAKZMALOUSRY-UHFFFAOYSA-N	421.510	2.412	50	1	HEGF	
C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1nccs1	618017013	DTIUMFXZGSKOQG-KGLIPLIRSA-N	416.638	2.329	50	1	HEGF	
CC(C)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCSSCCN(C)C	618008829	KWFYSRXLMCKQRP-MRXNPFEDSA-N	419.638	2.049	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@H]2OC1=O	100784014	GDXCVSFALPNRCV-RUKBAGLDSA-N	400.899	2.335	50	1	HEGF	endogenous,in-man
C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OCC)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12	140115327	NTAPKTSBAKEYPS-UXYBISJOSA-N	404.459	2.444	50	1	HEGF	biogenic
Cc1c(Sc2ccccc2)n(COCCI)c(=O)[nH]c1=O	13652190	DZQUCZISFDCMMC-UHFFFAOYSA-N	418.256	2.405	50	1	HEGF	
C=C(C)C(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2	169373037	BBVHLZVNYNLCNA-MTHPSSPSSA-N	424.877	2.108	50	1	HEGF	
CNc1ccc(C(=O)Oc2cc(O/N=[N+](/[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	44265306	DZJYJYAXGBNEMK-RELWKKBWSA-N	420.338	2.497	50	1	HEGF	
C=C1C[C@H](O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@]2(O)CCl	2356488238	FKRRWLGLGLGHLD-YRICHAABSA-N	418.873	2.237	50	1	HEGF	
NNC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1F	587894652	TXWJDLSAXIWBGK-UHFFFAOYSA-N	424.259	2.212	50	1	HEGF	
N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2ccc(Cl)cc2)c1	13862958	NUQYRSCTGCUBSM-CYBMUJFWSA-N	417.853	2.055	50	1	HEGF	
COc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cn1	963465240	AJQOCNUHZHHVQL-KBXCAEBGSA-N	407.264	2.342	50	1	HEGF	
C[C@@H]1CC[C@H]2C(COC[C@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4	103183661	UQOYKUJSYIDIKX-SEHNRJGTSA-N	424.412	2.418	50	1	HEGF	
CCC=CC1=C(C[C@H](C=C(C(=O)O)[C@@H](CCC(=O)O)C(=O)O)CC)C(=O)OC1=O	2356586634	IRKXZIBEKDUKQO-NWDGAFQWSA-N	408.403	2.326	50	1	HEGF	
NNC(=O)c1ccc2nc([C@@H](N)Cc3ccc(I)cc3)[nH]c2c1	587183995	NBXSEQPDJABTII-LBPRGKRZSA-N	421.242	2.014	50	1	HEGF	
CCOC1=C/C(=C/NNC(=O)c2ccc3c(c2)OCCO3)C=C(Br)C1=O	15880014	NOZLPLIKGHAJLY-ZHACJKMWSA-N	421.247	2.358	50	3	HEGF	
O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1ccccc1	43207366	LBLSSIHBMJKAIZ-GDAAHCPNSA-N	404.894	2.151	50	1	HEGF	
COc1cc(/C=N/NC(=O)CCCCCC(=O)NO)c(Br)cc1O	62233525	XGOBOHJPZCWBLS-RQZCQDPDSA-N	402.245	2.069	50	1	HEGF	
Cc1cc(OCC(=O)NN)ccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587878812	VCBOADRNVKYFPN-UHFFFAOYSA-N	420.296	2.381	50	1	HEGF	
COc1ccc(B(O)O)c([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1	962640456	QVUOGNDILXULQU-NLFFAJNJSA-N	414.314	2.211	50	1	HEGF	
CC(=O)[C@@H](O)C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC=O	2356747055	LNRMYPAQNOJJAE-UGKGYDQZSA-N	414.574	2.445	50	1	HEGF	
NNC(=O)c1ccc2nc([C@H](N)Cc3ccc(I)cc3)[nH]c2c1	587183994	NBXSEQPDJABTII-GFCCVEGCSA-N	421.242	2.014	50	1	HEGF	
Cc1ccc(C(=O)NNC(=O)CSc2n[nH]c3c4cc(F)ccc4nc-3n2)cc1	101961851	PZBSYXBAKYNKRT-UHFFFAOYSA-N	410.434	2.459	50	1	HEGF	aggregator
COc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)cn1	963465242	AJQOCNUHZHHVQL-KSSFIOAISA-N	407.264	2.342	50	1	HEGF	
CC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1	144161901	SHDUBAUUARAYTD-UHFFFAOYSA-N	416.890	2.358	50	1	HEGF	
CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@H]3C)C[C@H]2OC1=O	13486247	GDXCVSFALPNRCV-YDMTUCSKSA-N	400.899	2.335	50	1	HEGF	in-man
COc1ccc(-c2cc(C(=O)NN)n(C[C@H](O)COc3ccc(Cl)cc3)n2)cc1	40936045	TYISFNXGBQDUCR-HNNXBMFYSA-N	416.865	2.256	50	1	HEGF	
O=C(CCl)N1CCN(c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2F)CC1	587368341	NYWVCIWWGOUWPS-UHFFFAOYSA-N	417.828	2.130	50	1	HEGF	
C=C[C@@]1(C)[C@@H](C(=C)C=O)[C@H](OC(C)=O)[C@H]2C(=C)C(=O)O[C@H]2[C@H]1OC(=O)C(C)=CC	2356582798	XOFKISJIPOLCGP-HVFAFZLOSA-N	402.443	2.471	50	1	HEGF	
COc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1	15937061	WBEJUIIUYNERAB-UUYOSTAYSA-N	418.417	2.062	50	1	HEGF	
CCCN[P@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	102895338	DIUNCJQSIXEWSC-RTMXWMFYSA-N	420.794	2.217	50	1	HEGF	
N[C@@](CCCCB(O)O)(C(=O)O)C1C[C@@H]2CC[C@H](C1)N2Cc1ccc(F)c(F)c1	170188903	ARDWWKALWVMWKW-CIUFUOKISA-N	410.270	2.133	50	1	HEGF	
N#Cc1c(-c2ccccc2)[n+](=O)c2ccc(/C=N/NC(=O)c3ccncc3)cc2n1O	1772628008	YDGYMENYZIMWCG-UHFFFAOYSA-O	411.401	2.491	50	1	HEGF	
C[C@H](Cl)[C@](C)(O)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O	238780521	OWLMTGQNBXLNSO-LIHOWSEOSA-N	402.915	2.114	50	1	HEGF	
COC(=O)CS[C@@H]1CCN(C(=O)/C=C/c2nc(C)c(C)nc2C)C(=O)[C@H]1Cl	1772613501	XPZDHLRYFBXDMA-HVMMPBATSA-N	411.911	2.056	50	1	HEGF	
CC(=O)c1sc(N(C(C)=O)N(C(C)=O)S(=O)(=O)c2ccc(C)cc2)nc1C	64454517	FGEGANDDMKIBIP-UHFFFAOYSA-N	409.489	2.468	50	1	HEGF	
O=C(NN=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1)c1ccncc1	1857584546	BUNSBBUARPLMTI-HBWPBJFGSA-N	423.513	2.095	50	1	HEGF	
C=CCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccccn3)CC2)c1OC	45322553	XKPAQINKOVTTOE-PCLIKHOPSA-N	407.518	2.087	50	1	HEGF	
CCCCC[C@H](O)CC1=C([C@H](Cl)OC)C(=O)[C@@H]2O[C@@]2(CC=C(C)C(=O)O)[C@@H]1O	2356490515	LLXPVCOJUSFMCM-IOQSLGJZSA-N	416.898	2.328	50	1	HEGF	
CC1=CC2=C(C=O)C3=C(C(=O)CCCCC[C@H](C)O)C(=O)O[C@]3(C)[C@@H](O)C2=CO1	14658778	WCGBANPPJMWUAY-APKAMQJDSA-N	402.443	2.187	50	1	HEGF	biogenic
CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1ccc2c(O)nc(O)nc2n1	587368307	GPEKNWLIYODARH-UHFFFAOYSA-N	406.782	2.358	50	1	HEGF	
O=C1C(=O)[C@H](Cl)[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C(=O)[C@H]1Cl	587545129	GIYWRBUOHUDAND-YPAQZAPISA-N	421.188	2.028	50	1	HEGF	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1	20755503	VACIQPANVPNWBL-KGENOOAVSA-N	405.451	2.001	50	1	HEGF	
C[C@H]1CC[C@@H]2[C@@H](OC(=O)[C@]2(Br)CBr)[C@]2(C)C(=O)C=C[C@@]12O	96903070	SNLBWJCLJPJZJD-JSKDHCJISA-N	422.113	2.363	50	1	HEGF	
COC(=O)/C(C#N)=C1\SCC(=O)N1c1ccccc1I	1857649578	NXVKHJWJAYDFDO-WQLSENKSSA-N	400.197	2.279	50	1	HEGF	
C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(F)cc1F	71295408	ZFZKUGLFWQDVLD-UFFVCSGVSA-N	407.398	2.366	50	1	HEGF	
CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2Cc2ccccc2)[C@]2(CC[C@H]1OC(=O)NC(=O)CCl)CO2	3981867	DFXDPPVVUHQVSJ-JNBORBBOSA-N	423.893	2.441	50	1	HEGF	
Cc1ccc(OCC(=O)N/N=C\c2c(C)[nH]n(-c3ccccc3)c2=O)c([N+](=O)[O-])c1	169325485	VMZDEGFBMCPLEU-NHDPSOOVSA-N	409.402	2.220	50	1	HEGF	
CC(=O)[C@H](O)C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)OC=O	2356747054	LNRMYPAQNOJJAE-SIKLNZKXSA-N	414.574	2.445	50	1	HEGF	
O=C(OC[C@]1(O)[C@@H](Cl)C=C[C@@H](OC(=O)c2ccccc2)[C@H]1O)c1ccccc1	238731134	OZXFMXVSIMKHPG-IIMDRIAPSA-N	402.830	2.338	50	1	HEGF	
CCOC(=O)[C@@H](C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)[n+]1ccc2ccccc2c1	299844679	QQQDBMARAJQANF-PPRFWAEMSA-O	407.406	2.290	50	1	HEGF	
CCOC(=O)NNc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1	169693415	MDBOZBLUSDVZLR-QGZVFWFLSA-N	424.461	2.317	50	1	HEGF	
C=C1[C@H](OO)CC[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)C2	2356527134	WXLVRXBQCVFTIV-XBCLHLJBSA-N	400.512	2.240	50	1	HEGF	
COc1cc(C(=O)NCC(=O)NN/C=C2\C(C)=Nc3ccccc32)cc(OC)c1OC	104002295	LJFUMHKRHXDFSY-LFIBNONCSA-N	424.457	2.210	50	3	HEGF	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)[C@@H]1[C@H]3C(=O)N4CCCO[C@H]4[C@@]34C=C[C@]1(C)O4)C2	1857589589	NHVYYPBQUMPCMS-PJYBTPPQSA-N	413.518	2.223	50	1	HEGF	
Cn1c(=O)n(C)c2cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc21	962891469	FMOPPLVZMXOCHQ-VBKZILBWSA-N	403.841	2.097	50	1	HEGF	
CN1CCc2cn(C)nc2[C@@]12/C(=C(\C#N)NCc1ccccn1)C(=O)c1ccccc12	963956350	XBCAITUESZHKHI-PPMXAFMFSA-N	410.481	2.310	50	1	HEGF	
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccco1	49124958	INHCKFVIFACIHR-SFHVURJKSA-N	410.455	2.232	50	1	HEGF	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C(\C)c2ccc(O)cc2O)c1	15953019	BTSAYBKBDLQAJE-DEDYPNTBSA-N	405.476	2.282	50	1	HEGF	
O=C1C=C/C(=C\NNC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)C(O)=C1	13119298	UVNKTOSLKMYSSQ-NBVRZTHBSA-N	403.438	2.020	50	3	HEGF	
COc1cc([C@H](O)[C@@H](CO)Oc2c(OC)cc(C=CC=O)cc2OC)ccc1O	2356588721	DWGMCUNRIQYVFE-UXHICEINSA-N	404.415	2.103	50	1	HEGF	
COc1cc(/C=N\NC(=O)[C@@H]2Cc3c([nH]c4ccccc34)CN2)cc(OC)c1OC	103177987	KYLFGOSIXCHZEL-GQJRVPCCSA-N	408.458	2.358	50	1	HEGF	
C[C@H](Oc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)C(=O)NN	587881783	BHSCIPIKMWWITC-ZDUSSCGKSA-N	420.296	2.461	50	1	HEGF	
CCN/C(S)=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	1911576324	MIMURUCBYGTXTC-SAPNQHFASA-N	421.504	2.305	50	1	HEGF	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCSSCCN(C)C	618009221	UGJIZCLLARQVMA-GOSISDBHSA-N	408.593	2.274	50	1	HEGF	
N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@@]12c1ccccc1-c1nc3ccccc3nc12	1772616710	IBJQDSCPPKPDCZ-QHCPKHFHSA-N	423.436	2.345	50	1	HEGF	
C=C1C(=O)CO[C@@H]2C=C(COC(C)=O)CC=C(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12	2356708964	JPLKIHFXKRXNIK-NHDXWUKRSA-N	404.459	2.493	50	1	HEGF	
NS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCCl)Cc2ccccc2)c([N+](=O)[O-])c1	58581766	JZUZAIZZZYDEJH-UHFFFAOYSA-N	414.827	2.396	50	1	HEGF	
C=CCN1N=C[C@]2(N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)[C@@H](Cl)C1=O	962708921	LCEXIRFIOQTVDC-HEHGZKQESA-N	419.762	2.260	50	1	HEGF	
NN(C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2	28355034	REUWNABPNYVNBB-UHFFFAOYSA-N	403.243	2.469	50	1	HEGF	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCSSCCN(C)C	618009222	UGJIZCLLARQVMA-SFHVURJKSA-N	408.593	2.274	50	1	HEGF	
CC(=O)OCC1=C2[C@H](OC1=O)[C@@H]1O[C@@]1(C)CCC=C(C=O)C[C@H]2OC(=O)CC(C)C	2356634274	BJXNZMRTVPTJJY-SYNNKVJXSA-N	420.458	2.196	50	1	HEGF	
N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccc(Cl)cc2)c1	13862957	NUQYRSCTGCUBSM-ZDUSSCGKSA-N	417.853	2.055	50	1	HEGF	
C=C1[C@H](OO)CC[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)C2	2356527132	WXLVRXBQCVFTIV-FFWLGJHZSA-N	400.512	2.240	50	1	HEGF	
CN(CCCl)[C@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5	28089594	QMCIDHSSEHCMRS-MMORHLLASA-N	418.965	2.496	50	1	HEGF	
O=C(O)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC(=O)O	32016723	ROOLKXRYDKGENV-UHFFFAOYSA-N	420.468	2.115	50	1	HEGF	
NCCSSCCNC(=O)C1CCN(C(=O)c2ccncc2Cl)CC1	618007595	HCYHTKAWMAJIHB-UHFFFAOYSA-N	402.973	2.044	50	1	HEGF	
N#CC1=C(N)N2C=CC=C[C@@H]2N[C@@]1(c1ccc(N2CCOCC2)cc1)C(F)(F)F	621477865	RHCUENTVUBWRJT-IEBWSBKVSA-N	403.408	2.289	50	1	HEGF	
O=C1[C@H]2[C@H](C(=O)N1c1ccccn1)[C@H]1C[C@H]2[C@@H](Br)[C@@H]1Br	195379892	OYOUDKVZJGPDSU-MMCIIUSJSA-N	400.070	2.364	50	1	HEGF	
CC(=O)C1=C(O)C=C2Oc3c(C(=O)CSC#N)c(O)c(C)c(O)c3[C@@]2(C)C1=O	1857610142	DBIFDDHMMAMSKL-IBGZPJMESA-N	401.396	2.321	50	1	HEGF	
O=C(c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-])N1CCOCC1	5733067	AEONVWGMYOKPSM-UHFFFAOYSA-N	421.237	2.259	50	1	HEGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1	618008006	PYVSHUKJPANXMT-SFHVURJKSA-N	420.604	2.470	50	1	HEGF	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(NC(C)=O)nn1)[C@@H](C2)C3=O	587412162	HPDSHCUXKFQOFT-SGTLLEGYSA-N	418.247	2.481	50	1	HEGF	
CC=C(C)C(=O)O[C@H](C1=C(C)C(=O)O[C@@H]1O)[C@]1(C)C(C=O)=CC[C@H](OC(C)=O)[C@@H]1C	2356388559	JVPQVYZRYGNREL-OGNLNAGDSA-N	420.458	2.159	50	1	HEGF	
Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3CC(C)(C)C[C@@]3(O)C=C(C=O)[C@@]12O	2356815950	CXDPJDYGYSRNDR-YUXJCULASA-N	416.470	2.379	50	1	HEGF	
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)COOC3)nc1	49872503	BRMDMXBOOXVKCO-UHFFFAOYSA-N	408.457	2.307	50	1	HEGF	
CC1=C2C(=O)C=C(C=O)[C@@H]2[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1	13338661	CICWEHOIACOOIN-QMPJTBNCSA-N	410.422	2.069	50	1	HEGF	endogenous,in-man
O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1)c1cccs1	261187942	YBYHNUMMEUWUFV-SHTZXODSSA-N	421.544	2.294	50	1	HEGF	
CC(=O)O[C@@H]1C=C(C)C[C@H](OC(C)=O)[C@@H]2[C@@H](C=C(C)C1)OC(=O)[C@]2(O)CCl	2356484604	AXEPFXQADBSHJP-MUDKKEKZSA-N	400.855	2.048	50	1	HEGF	
Cn1c(CCCC(=O)O)nc2ccc(N(CCCl)CCOP(=O)(O)O)cc21	299853868	RGADOJIHGUMDAT-UHFFFAOYSA-N	419.802	2.135	50	1	HEGF	
CC(C)(N)CNC(=O)CC1CCC2(CC1)OOC1(O2)[C@H]2CC3C[C@H]1CC(O)(C3)C2	101162602	OKSIVAIYFNVYGK-NRDBOUJNSA-N	408.539	2.362	50	1	HEGF	
C=C1[C@H](OO)CC[C@H](C)[C@]12CC[C@H](C(C)(C)O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O)C2	2356527133	WXLVRXBQCVFTIV-VAULIHQISA-N	400.512	2.240	50	1	HEGF	
COC1=CC(=O)c2c(cc(CO[P@](N)(=O)N(CCCl)CCCl)n2C)C1=O	14139990	RZDVBPPNAUBBNJ-SANMLTNESA-N	424.221	2.297	50	1	HEGF	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1nnc(O)c2nc(-c3ccccc3)ncc12	1911580108	HGYOVEGFJBBIAZ-LSHDLFTRSA-N	415.369	2.465	50	1	HEGF	
C/C(=N\N(C)C(N)=O)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1	96169154	QUXYMIKKRAWEBY-NSKAYECMSA-N	410.388	2.276	50	1	HEGF	
CCCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O	149795106	SHHSXCDKZFTOSD-LFVJCYFKSA-N	408.502	2.253	50	1	HEGF	
O=C(O)CC[C@H](NC(=O)c1ccc(N(CCCl)CCCl)c(F)c1)C(=O)O	1540151	LDWPUJSYYKLEPQ-LBPRGKRZSA-N	409.241	2.158	50	1	HEGF	
C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cccnc1	618017327	JGRZGIQOXCBGPQ-WBVHZDCISA-N	410.609	2.268	50	1	HEGF	
O=C(O)CC[C@H](NC(=O)c1ccc(N(CCCl)CCCl)cc1F)C(=O)O	26396203	HOOFCVGOVNIIDC-ZDUSSCGKSA-N	409.241	2.158	50	1	HEGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl	587706079	ORRQVGMGIAYHSG-IRSJGVQSSA-N	423.065	2.253	50	1	HEGF	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(CN2CCC[C@@H](O)C2)cc1	1857635969	RAHUVZPEVPGKRP-DZQSVEARSA-N	422.529	2.244	50	1	HEGF	
C[C@@H]1CC[C@H]2C(COC[C@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103183663	UQOYKUJSYIDIKX-LWUMFSGBSA-N	424.412	2.418	50	1	HEGF	
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)[C@H](C)Nc2cccc3ccccc23)C1=O	15974310	IDQUFAVUFCSELV-UESPBHMZSA-N	408.414	2.419	50	3	HEGF	
COc1cc(Br)cc(/C=N/NC(=O)c2ccc(C(=O)NO)cc2)c1O	95808409	KAALHRYMMOVYBV-QGMBQPNBSA-N	408.208	2.046	50	1	HEGF	
NNC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1	586954047	ZINKKVPWKAJETL-UHFFFAOYSA-N	414.472	2.091	50	1	HEGF	
CC(C)N1SC(C)(C)[C@@H](N2C(=O)[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H]2Cl)C1=O	49115907	UFEMJHFSZMXXNW-MELADBBJSA-N	421.906	2.104	50	1	HEGF	
CC(=O)N[C@H](Cc1nc2ccc(C(=O)NN)cc2[nH]1)c1ccc(Br)cc1	586984223	CXZUDBFYFSLLEV-OAHLLOKOSA-N	416.279	2.349	50	1	HEGF	
COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)B(O)O)c(Cl)c1	1857606005	IUZAVACFOSUDSF-DLBZAZTESA-N	412.723	2.036	50	1	HEGF	
COc1cccc([C@@H]2c3cc4c(cc3O[C@@H](NNC(N)=O)[C@H]2C)OCO4)c1OC	105520889	DNRVDUVKNOJDLE-QCYICXJISA-N	401.419	2.092	50	1	HEGF	
C=CCc1cccc(/C=N/NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)c1O	149792881	LNFSLKOZYDBYJH-LFVJCYFKSA-N	406.486	2.029	50	1	HEGF	
COc1c(O)c2c(c(Cl)c1Cl)NC(=O)/C2=N\NC(=O)Cc1ccc(O)cc1	72178780	HKIOWNNZVBFPRV-UHFFFAOYSA-N	410.213	2.428	50	1	HEGF	
COc1ccc(B(O)O)c([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1	962640449	QVUOGNDILXULQU-CJFMBICVSA-N	414.314	2.211	50	1	HEGF	
CC(C)CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl	37539135	QSXUMRLTTSXLEV-GOKSDJKOSA-N	418.914	2.372	50	1	HEGF	biogenic
COc1ccc(B(O)O)c([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1	962640452	QVUOGNDILXULQU-NBGIEHNGSA-N	414.314	2.211	50	1	HEGF	
C[C@@]1(c2csc(B(O)O)c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21	962957776	PNZYYEUPTDXMJC-KRWDZBQOSA-N	411.254	2.362	50	1	HEGF	
O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(Cl)cc1	1857602006	HASDELNDILGTJM-CVEARBPZSA-N	417.256	2.216	50	1	HEGF	
CC(=O)N[C@@H](Cc1nc2ccc(C(=O)NN)cc2[nH]1)c1ccc(Br)cc1	586984222	CXZUDBFYFSLLEV-HNNXBMFYSA-N	416.279	2.349	50	1	HEGF	
COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	72124902	XWSBKCIDGUOXGD-IBGZPJMESA-N	418.457	2.330	50	1	HEGF	
C[C@@H](O)[C@@H](C(=O)NCCCSSCCN(C)C)N(C)C(=O)OC(C)(C)C	618008852	LWURHQZCSCRTHC-KGLIPLIRSA-N	409.618	2.052	50	1	HEGF	
CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)c1c(O)nc(=O)n(CCOC)c1N	963222688	BUPPOWUBBGMTQV-LHSJRXKWSA-N	420.941	2.317	50	1	HEGF	
CCN(C)C(=O)Oc1cccc(CNC(=O)C[S@@](=O)CCCCN=C=S)c1	1857618825	XSAWTVLBEUFHTO-MHZLTWQESA-N	411.549	2.385	50	1	HEGF	
COc1cc([C@@H]2[C@@H](Cl)C(=O)N2n2cnc3ccccc3c2=O)cc(OC)c1OC	1632115	KFYHYCDSWCLYFV-IAGOWNOFSA-N	415.833	2.249	50	1	HEGF	
CC(=O)NC[C@H]1CN(c2ccc(/C=C(/C#N)n3nnc4ccccc43)cc2)C(=O)O1	40527551	ZTALWUPTNQJRJO-BHEJFATLSA-N	402.414	2.414	50	1	HEGF	
N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1	170188833	UOHICPTVJVFMJP-GOSISDBHSA-N	411.695	2.009	50	1	HEGF	
CN(CCCl)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5	253638430	QMCIDHSSEHCMRS-CIGBUEHFSA-N	418.965	2.496	50	1	HEGF	
O=C(Cn1nnnc1-c1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1	1857602008	HASDELNDILGTJM-HZPDHXFCSA-N	417.256	2.216	50	1	HEGF	
COC(=O)[C@]1([C@@H](C)Br)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12	962649478	XFHWZPXRKOKXAW-ZBJVWZGCSA-N	421.291	2.485	50	1	HEGF	
CC(=O)NC[C@H]1CN(c2ccc(/C=C(\C#N)n3nnc4ccccc43)cc2)C(=O)O1	40743268	ZTALWUPTNQJRJO-LTXFRBGYSA-N	402.414	2.414	50	1	HEGF	
NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccccc2)c(Cl)cc1Cl	169351757	OBFPEYWEUSRBRA-UHFFFAOYSA-N	419.315	2.272	50	1	HEGF	
Cc1ncc(Cn2nnc(C(=O)N/N=C/c3ccc(Cl)c(Cl)c3)c2C)c(N)n1	103231853	VGAARIUOLKELIA-GEVRCRHISA-N	419.276	2.386	50	1	HEGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl	587706460	PYOWMTHVIFJAQX-IRSJGVQSSA-N	423.065	2.253	50	1	HEGF	
N#CC1=C(N)N2CCCNC2=C([N+](=O)[O-])[C@]12c1ccccc1-c1nc3ccccc3nc12	1772616709	IBJQDSCPPKPDCZ-HSZRJFAPSA-N	423.436	2.345	50	1	HEGF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=C/C=O	27314879	BZQDDCOWZLWZFP-BVBLWJPBSA-N	402.406	2.292	50	1	HEGF	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N4CCOCC4)ccc32)cc2c1OCO2	40547926	PYYJNOYTDVXKQT-FQEVSTJZSA-N	407.426	2.479	50	1	HEGF	
C[C@@H]1CC[C@H]2C(COC[C@@H](O)CO)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4	103183664	UQOYKUJSYIDIKX-OWPWLNELSA-N	424.412	2.418	50	1	HEGF