smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1	408727045	OJAXIGNGTFVOQX-HZHRSRAPSA-N	446.529	2.350	50	40	IEGB	
O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cccc(OC(=O)c2ccco2)c1	3085771	XLGLGHHHFAWRHZ-BHGWPJFGSA-N	435.392	2.108	50	40	IEGB	
Cc1cnc2c(S(=O)(=O)N3CCC(C(=O)NNC(=O)OC(C)(C)C)CC3)cccc2c1	12593547	BLHMQSRTCASKAX-UHFFFAOYSA-N	448.545	2.500	50	40	IEGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC	20207950	AEODWBFYTUOCAI-CIAFOILYSA-N	449.485	2.065	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c(C#N)c2C)ccc1O	409051154	AXMSASFRWWSKRK-MXAYSNPKSA-N	447.451	2.289	50	40	IEGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	13592889	JAHFHDUYCDPRSU-HMMYKYKNSA-N	441.509	2.380	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C)n2CCc2ccccc2)cc1	923703	IGYJVUTVYUEKKX-UHFFFAOYSA-N	425.514	2.391	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1	20213299	SISJFXCMZKLNNJ-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1O	3148652	NHIPEUFQPONSNM-UHPUNMKFSA-N	426.210	2.189	50	40	IEGB	
CCCn1nc(C(=O)NNC(=O)CCOc2ccccc2OCC)c2ccccc2c1=O	12861274	FSSVKAQBCJZEJE-UHFFFAOYSA-N	438.484	2.435	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1	408788268	DHPIKJUAKPVLAO-SRZZPIQSSA-N	437.905	2.351	50	40	IEGB	
CCN(CC)C(=O)COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(COC)c32)cc1OC	8441867	PAIQHAKPAIEBBT-LJQANCHMSA-N	441.488	2.030	50	40	IEGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)Cn1cnc2ccccc2c1=O	9440423	CWNMLZKYZGHIBO-UHFFFAOYSA-N	428.876	2.365	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1cccc(NC(C)=O)c1	408637243	IDZHQOWJILFPJL-UHFFFAOYSA-N	438.513	2.477	50	40	IEGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1	409388262	TVXOUHPAMCPPRO-NRAIQUKZSA-N	449.463	2.053	50	40	IEGB	
CCOCCCNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1	16187206	LJKFIOLBVRLVFW-UHFFFAOYSA-N	442.588	2.084	50	40	IEGB	
CCOc1cc([C@H]2C(C#N)=C(N)O[C@@H]3CCCC(=O)[C@H]23)ccc1OCCN1CCOCC1	20130933	HOBDXMMBUUQKFW-PUHATCMVSA-N	441.528	2.342	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc(OC)c1OC(C)=O	408974673	GLFQTECILAIKME-SZMVHAFZSA-N	439.468	2.095	50	40	IEGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccccc2O)c1C#N	1499531	HMZALLKTMXFOGO-ODCIPOBUSA-N	433.262	2.405	50	40	IEGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	58884409	RCOYYRJEAVLMIU-AFUMVMLFSA-N	432.436	2.432	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1	409154530	OWEKSWSCUZIRTD-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
CCn1c(C)nc2cc(C(=O)N/N=C3/C(=O)N(CN4CCOCC4)c4ccccc43)ccc21	3195759	QXQMKJLXRFPPNH-XTCLZLMSSA-N	446.511	2.135	50	40	IEGB	
Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1	408655195	LKEFKOYWEUGXAK-AWEZNQCLSA-N	429.860	2.006	50	40	IEGB	
Cc1ccc(NC(=S)NNC(=O)C(=O)NNC(=S)Nc2ccc(C)c(C)c2)cc1C	9465522	BXHXBXMOJFIBJA-UHFFFAOYSA-N	444.586	2.256	50	40	IEGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)cc1	12753550	JUBWDDJFPBLURI-UHFFFAOYSA-N	436.486	2.282	50	40	IEGB	
O=C(O)c1ccccc1/C=N/NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408971094	LYTCFQSXCBFYHW-LPYMAVHISA-N	433.461	2.075	50	40	IEGB	
O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(-n2cccc2)cc1	409248298	PIIXILGMYTWILW-UQQQWYQISA-N	432.480	2.479	50	40	IEGB	
COc1ccc2cc(C(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)sc(=O)c2c1OC	32594769	ACFSCXDKFKSYBC-UHFFFAOYSA-N	429.410	2.262	50	40	IEGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	408774027	NWERXTXPFVHTFC-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(F)cc3)CC2)cc1OC	408970997	CIJGWTCSGUIDPY-OEAKJJBVSA-N	449.504	2.394	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCC(C)C)cc2)cc1	409157905	QNZDSCJCXZFLCC-AFUMVMLFSA-N	440.500	2.325	50	40	IEGB	
CCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2cc(Br)ccc21	4458275	SHXSSTSOSGDSEJ-ZKCWRFQVSA-N	430.258	2.476	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c(OC)c1OC	13001428	ITYKRIABRLKYDA-UHFFFAOYSA-N	440.456	2.078	50	40	IEGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)c1	20504068	XWGCJLJHMKOHHP-NRFANRHFSA-N	436.512	2.106	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccco2)cc1	409263888	NDQMCTHEBOLGFL-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(=O)N1CCOCC1	1438025	LEWNJLRUKPTVNT-LJQANCHMSA-N	425.441	2.341	50	40	IEGB	
COc1cc(C(=O)NNS(=O)(=O)c2ccccc2)c(Br)c(OC)c1OC	1760446	LTKFDSMJJZVXFM-UHFFFAOYSA-N	445.291	2.098	50	40	IEGB	
Cn1c(CC(=O)NNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)nc2ccccc21	9440045	FSNIGQGVLCYPLC-UHFFFAOYSA-N	434.500	2.207	50	40	IEGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)c1ccccc1	59959692	FNIPLGDADAXEQJ-STPJHCLOSA-N	436.512	2.452	50	40	IEGB	
COc1cc(/C=N\NC(=O)c2ccco2)cc(I)c1OCC(=O)O	408903907	BBZDKOZAXKYZBH-IDUWFGFVSA-N	444.181	2.120	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc21)c1cc(Cl)ccc1Cl	409026265	KIUDDRTUNHYHOA-UHFFFAOYSA-N	441.296	2.232	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1C	409174667	WTQRJDGQNSJCGG-WYMPLXKRSA-N	440.500	2.304	50	40	IEGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1cccc(C(F)(F)F)c1	409258068	SYESUHVXXKYRGR-OPEKNORGSA-N	448.401	2.452	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C)c1ccc(OCc2ccccc2)cc1	9167971	WVFTTZCMSQAIHV-YDZHTSKRSA-N	432.444	2.274	50	40	IEGB	
CC(C)[C@@H](Br)C(=O)NNC(=O)[C@@]1(C)CC1(Br)Br	2311809	FAZCAHMURUSVEW-HZGVNTEJSA-N	434.954	2.449	50	40	IEGB	
NC(=O)CN1C(=O)/C(=N\NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	16946041	CWNBCRWEHFASOL-QQKBAMFOSA-N	438.487	2.345	50	40	IEGB	
CCOc1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC	32654861	BQFJKAAJTOIGDY-FCNRDGCESA-N	444.509	2.263	50	40	IEGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	409045710	HEULFMJFKNBJEK-QGMBQPNBSA-N	440.197	2.467	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1	409170714	XDLAYMBSAFWZBW-OPEKNORGSA-N	436.390	2.309	50	40	IEGB	
CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccncc1	3144132	BAYAFOCQQQFXRC-LJQANCHMSA-N	445.479	2.304	50	40	IEGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)/C(C#N)=C(\C)N)cc1	9634081	KQWQZRFJHRFKQX-SAPNQHFASA-N	443.481	2.002	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1cccc(Br)c1	20060466	NJIBPUWWCJAGNY-VCHYOVAHSA-N	426.292	2.071	50	40	IEGB	
O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)NNC(=O)c1ccccc1Cl	408657199	GSLZIIIRBXQGIE-UHFFFAOYSA-N	443.765	2.459	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1O	408992924	VATMKGWHDMVIOK-VFADJPBRSA-N	437.456	2.112	50	40	IEGB	
COc1cc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)ccc1O	409005358	HYKVEPGHDIBNEI-ZVHZXABRSA-N	441.484	2.421	50	40	IEGB	
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	2436082	RRJXBEAZMJJPBP-HNENSFHCSA-N	433.424	2.172	50	40	IEGB	
CC(/C=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)=C\c1ccco1	36094420	NFMPLGONRDOPNE-KCZZZHDASA-N	430.530	2.100	50	40	IEGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@H](Cc2ccccc2)NC(=O)OCC)cc1	408910774	KSPVJKGCKBONGY-UDIPQKBFSA-N	441.484	2.436	50	40	IEGB	
O=C(CNC(=O)c1cccc(F)c1)N/N=C/c1cc(I)ccc1O	3115562	FVEXOBHCHHDVCC-DNTJNYDQSA-N	441.200	2.016	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccc3)nnn2-c2nonc2N)cc1	9233276	MFSNDBFYGJVEEV-YDZHTSKRSA-N	432.444	2.452	50	40	IEGB	
O=C(N[C@@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1)c1cccs1	25529440	YCVWMNHWIZBXAA-IEBWSBKVSA-N	437.477	2.207	50	40	IEGB	
CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	408661260	FJVCIKQSRJXLRA-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
CCOc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1	408830497	SCHFMTNFTKTSSO-UHFFFAOYSA-N	444.557	2.478	50	40	IEGB	
COC(=O)COc1c(Cl)cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc1OC	409365654	RHDLJEALQZLNEZ-KSEXSDGBSA-N	448.859	2.364	50	40	IEGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCCC2)cc1	13001646	BFLZZRSSPAQNAA-UHFFFAOYSA-N	431.558	2.449	50	40	IEGB	
COc1cccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1OC	23109246	CVRXMFIAQQPKLG-UHFFFAOYSA-N	425.416	2.128	50	40	IEGB	
CCCN1CC=C2C(C#N)(C#N)C(N)=C(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@@]2(C)C1	34896963	JQKBDOZYCJCOTA-GGAORHGYSA-N	430.512	2.076	50	40	IEGB	
COc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccc(C)cc1	58189442	FANHSVUYPGPMEY-UHFFFAOYSA-N	444.557	2.397	50	40	IEGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1C	408651822	BIAOSNFAGZWNOS-OAHLLOKOSA-N	443.887	2.314	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)N[C@H](C)CC)cc1	409266272	QEJCJCSUPLQJFS-HUSFYUSLSA-N	440.500	2.468	50	40	IEGB	
O=C(Cc1cccc2ccccc12)NCC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1	16046115	BEDDRGQNOYMMQX-UHFFFAOYSA-N	427.464	2.350	50	40	IEGB	
Cc1nnnn1/C(=C/c1ccccc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	104876200	XZFRMTUJDIYMBF-YBFXNURJSA-N	427.424	2.365	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	409259397	ZGAFIRGEFVOSMU-HZZGJGATSA-N	444.463	2.217	50	40	IEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)O[C@@H]3CCCC(=O)[C@@H]32)ccc1OCCN1CCOCC1	20130937	HOBDXMMBUUQKFW-MZYLBHOOSA-N	441.528	2.342	50	40	IEGB	
CCCN1CC=C2C(C#N)(C#N)C(N)=C(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@@]2(C)C1	20459421	JQKBDOZYCJCOTA-GMAHTHKFSA-N	430.512	2.076	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OCC(=O)N1CCOCC1	409015528	SJSDLUQUWKIHFV-JLPGSUDCSA-N	425.485	2.016	50	40	IEGB	
N#C/C(=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1)C(=O)NCc1cccnc1	6446596	UJLSKZRQBLWSJN-BOPFTXTBSA-N	429.436	2.153	50	40	IEGB	
C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	408655754	LZUDTGNIBODSSN-GOEBONIOSA-N	443.887	2.254	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1	408914290	WEGGDHPLFXWOIV-PFRBSUFTSA-N	444.513	2.292	50	40	IEGB	
C/C(N)=C(/C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	9612394	PIEUZSIZEHZAOI-XDJHFCHBSA-N	439.493	2.310	50	40	IEGB	
COc1ccc(OCC(=O)N/N=C\c2ccc([N+](=O)[O-])o2)c(I)c1	9948546	DQFGNJARZNBORP-APSNUPSMSA-N	445.169	2.330	50	40	IEGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2)c1	409267681	VSFJFOAZBRIDJZ-MFKUBSTISA-N	440.500	2.086	50	40	IEGB	
Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1C	10676037	YPXQHFXVCGNGRE-AWEZNQCLSA-N	425.514	2.291	50	40	IEGB	
CCC(=O)NNC(=O)COc1c(I)cc(Cl)c2cccnc12	12806852	NUTVTLWRHCKVOO-UHFFFAOYSA-N	433.633	2.429	50	40	IEGB	
Cc1ccc(C(=O)NNC(=O)CCNS(=O)(=O)c2ccccc2C(F)(F)F)cc1	14240088	QPSLQFJYHKZXDN-UHFFFAOYSA-N	429.420	2.143	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1[N+](=O)[O-]	20213864	CVYJINROLUOOIQ-RGVLZGJSSA-N	434.474	2.137	50	40	IEGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	408773229	QBSNJXHLPLXMGS-XSFVSMFZSA-N	434.474	2.218	50	40	IEGB	
Cc1c(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)oc2ccccc12	40069146	KEHAZCMOKVBTQB-QGZVFWFLSA-N	427.482	2.356	50	40	IEGB	
CCc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1	408663437	YFTZVZPELYPZRL-MRXNPFEDSA-N	443.887	2.260	50	40	IEGB	
COc1cccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1	408845671	YRKIPRCYHTYVSI-UHFFFAOYSA-N	430.530	2.088	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1	2174576	QARDQNCRGAMZMX-SRZZPIQSSA-N	449.554	2.106	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1ccc(Br)cc1	13749803	DOGLQDBNLBNCCU-DJKKODMXSA-N	433.270	2.272	50	40	IEGB	
COc1ccc(CC(=O)N/N=C2\C(=O)N(CN(C)C)c3ccc(Br)cc32)cc1	20841744	DDJUEQLZIKGZHM-NMWGTECJSA-N	445.317	2.386	50	40	IEGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2cccc(I)c2)c2ccccc21	34736086	HKUXAXDFDWTNFH-ZVBGSRNCSA-N	446.248	2.495	50	40	IEGB	
O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1cccc(Br)c1	95116582	NLGWDQCEYJTYIC-PYCFMQQDSA-N	443.301	2.220	50	40	IEGB	
O=C(COc1ccc(C(=O)N/N=C/c2ccccc2O)cc1)N/N=C/c1ccccc1O	2373293	VCYJUDPFEBLGMB-GUJRAXHGSA-N	432.436	2.391	50	40	IEGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1	16321237	GAGWTGHTOATPMJ-UFFVCSGVSA-N	440.884	2.208	50	40	IEGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)cc1	408785523	GUOFTUKWEWWEAY-XKZIYDEJSA-N	440.481	2.155	50	40	IEGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2C1	24305865	XHORJSZZAWYOAC-PEBXRYMYSA-N	446.573	2.381	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(C)s3)nnn2-c2nonc2N)c1	2426878	AFWFTFUFAHFZCT-UFFVCSGVSA-N	438.473	2.432	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1O	5493848	SHQFTRIWHCAZFQ-SVZNOHIVSA-N	437.905	2.358	50	40	IEGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	6473907	RTXKQFBZEGQAOM-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)NC(=O)COc2ccccc2)cc1OC	9305842	KYFTWCFHMJGFRC-LJGKHRNASA-N	443.456	2.264	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OCC)c1	409153460	LEDXUACGPXTGNS-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3c[nH]c4ccccc34)nnn2-c2nonc2N)cc1	2263935	GVICXOLLPABWEB-BHGWPJFGSA-N	427.428	2.453	50	40	IEGB	
COc1ccc(-n2nnc3c(N4CCN(C(=O)C(C)(C)CCl)CC4)ncnc32)cc1	9850101	RPBDBPCQHDFDPR-UHFFFAOYSA-N	429.912	2.133	50	40	IEGB	
CCOc1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC	13806701	BQFJKAAJTOIGDY-IUPCOXQMSA-N	444.509	2.263	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccccc1F)S(=O)(=O)c1ccc(Br)cc1	16187175	LLNAEPJHZXAHSW-VXLYETTFSA-N	428.283	2.359	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccn2)cc1)Nc1ccc(F)cc1	58873890	OQOPQXMZEXVCFM-UVHMKAGCSA-N	449.442	2.005	50	40	IEGB	
COc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2cccc3ccccc23)C1=O	408536826	SOYQKDSVNHFGGW-PDERCVKFSA-N	430.420	2.463	50	40	IEGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	58911673	OHAZVCGSRNZCFT-WSDLNYQXSA-N	435.322	2.459	50	40	IEGB	
O=C1C[C@@H]2OCC=C3C[N+]4(SS(=O)(=O)O)CC[C@@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]64	103835934	YIBDMWHJIAVDKG-JOPVUEBXSA-O	447.558	2.058	50	40	IEGB	
CC(=NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O	261143357	NKUDGJUBIVEDTF-UHFFFAOYSA-N	437.905	2.221	50	40	IEGB	
Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)COc3ccc(Cl)cc3)C(=O)NC2=S)cc1	408762848	MPTNMIXLXLEQOI-QEPAMEFZSA-N	444.900	2.193	50	40	IEGB	
N#C/C(=C\N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccco1	9419131	DFGGMBBGPIZMJF-QRLYNLOJSA-N	442.522	2.078	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3C[C@@H](C)O[C@H](C)C3)nc12	9428194	HGEOJHVNUZESCT-NGJGBPPBSA-N	447.495	2.433	50	40	IEGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1	9450905	NYMMAHGHLHYHEY-CQSZACIVSA-N	437.493	2.085	50	40	IEGB	
COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccccc3Br)CC2=O)cc1	28265521	CTFAKZHYVMECEE-LBPRGKRZSA-N	432.274	2.272	50	40	IEGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccnc2)Cc2ccccc2)cc1	59435447	KQTLYMVNTWIUJR-BUVRLJJBSA-N	438.509	2.431	50	40	IEGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(C(=O)O)cc1)OCc1ccccc1	408989400	KOSUCMPAOBVANI-ZDZUNBPVSA-N	435.440	2.096	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)ccc1OCC(N)=O	8781365	HMIDQHPZWFDANZ-BRJLIKDPSA-N	435.484	2.185	50	40	IEGB	
CCOc1c(Br)cc(/C=N/NC(=O)CN2CCOCC2)cc1Br	15019897	SCWZDJUVBAATTN-GIJQJNRQSA-N	449.143	2.393	50	40	IEGB	
CC(=O)Nc1cccc(-c2nnc(SCC(=O)NNC(=O)Cc3ccccc3)o2)c1	408638241	QEEYDMNDPQJXSU-UHFFFAOYSA-N	425.470	2.177	50	40	IEGB	
O=C(COc1ccccc1I)N/N=C\c1cccc([N+](=O)[O-])c1O	409074680	UPLXQDKPRCJYDS-IUXPMGMMSA-N	441.181	2.434	50	40	IEGB	
COc1ccc(S(=O)(=O)NNC(=O)c2ccc(Cn3cnc(Cl)c3Cl)o2)cc1	2142576	JJRUJMDMLYOMHI-UHFFFAOYSA-N	445.284	2.463	50	40	IEGB	
CSCC[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NN	3119047	SXEIAYCCOIRYQN-SNVBAGLBSA-N	439.403	2.114	50	40	IEGB	
Cc1cc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)[nH]n1	9805607	MOCODPQCPNWJBZ-UHFFFAOYSA-N	432.072	2.083	50	40	IEGB	
COc1cc(/C=N/NC(=O)C2CCN(C[C@@H](O)COCc3ccccc3)CC2)ccc1O	11852192	XLXGJVDIRXBJDZ-PFRKPPGBSA-N	441.528	2.141	50	40	IEGB	
COC(=O)[C@@H]1C(=O)NC(SCc2nnnn2C2CC2)=C(C#N)[C@@H]1c1ccccc1Cl	12738405	RWSAIWQUNRCQPW-HOTGVXAUSA-N	444.904	2.333	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1	16267338	GNCVTDBPOQYLJW-WSDLNYQXSA-N	431.514	2.169	50	40	IEGB	
CCOc1cc([C@H]2C(C#N)=C(N)O[C@H]3CCCC(=O)[C@@H]32)ccc1OCCN1CCOCC1	36383998	HOBDXMMBUUQKFW-PMVMPFDFSA-N	441.528	2.342	50	40	IEGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2c(F)cccc2Cl)c1	16187223	LRFRVFTWBYKOBO-FBHDLOMBSA-N	443.884	2.267	50	40	IEGB	
CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)COc2ccc(F)cc2)C(C)C)cc1	32997929	UEQBLMKGTZRQPM-FQEVSTJZSA-N	431.464	2.205	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC	408926953	WRLDMSQCAQIPQZ-HADWXUJASA-N	435.502	2.017	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cc(C)cc2C)c(OC)c1	409171029	YOHCINWCBQPKHI-BRJLIKDPSA-N	440.500	2.224	50	40	IEGB	
COc1cc(/C=N\NC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	31719663	JSXHJCRNJNANRQ-NQRIEWMKSA-N	446.460	2.405	50	40	IEGB	
CCCc1c(/C=N/NC(=O)c2cc(=O)n3ccsc3n2)c(OC)c2c(c1OC)OCO2	15085407	OMHQUNGNWGQZQL-ZVBGSRNCSA-N	444.469	2.218	50	40	IEGB	
COc1ccc(/C(O)=C/C(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	101866878	PJNSGGVPLJJPIJ-PGMHBOJBSA-N	446.459	2.247	50	40	IEGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1OC	9065979	AMKUPVQUAGXBFT-WGOQTCKBSA-N	440.500	2.192	50	40	IEGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	408858092	JLGGPYKOXTVHMF-WSDLNYQXSA-N	446.847	2.250	50	40	IEGB	
CC(C)CNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409171250	YZHLVMMPTSLHRJ-LGJNPRDNSA-N	444.919	2.258	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1	408874232	ZKYOSVBWWDORNQ-QKIXXSFTSA-N	446.529	2.349	50	40	IEGB	
O=C(COc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	2289797	RPRZTZIMQNNUKZ-COOPMVRXSA-N	442.475	2.249	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/C=C/c2ccccc2)c1CN1CCCCCC1	8826714	KIZMKGDLYMEGTB-OUBDTCAQSA-N	435.492	2.038	50	40	IEGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408878283	ZMIIFJCOMBNZFS-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1)NCc1ccco1	58881051	PRLCLCYXKWKPFO-BRJLIKDPSA-N	438.415	2.203	50	40	IEGB	
C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc(S(=O)(=O)N2CCCC2)cc1	13095188	OVFFFLMRIZELAS-LPYMAVHISA-N	443.451	2.227	50	40	IEGB	
O=C(O)COc1ccccc1/C=N/NC(=O)CN1CCN(Cc2ccc(Cl)cc2)CC1	19682674	WNZDKEPHQWEHDD-ZMOGYAJESA-N	444.919	2.071	50	40	IEGB	
CN(C)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	408972990	RAWSHCLPFAQJKK-HZHRSRAPSA-N	432.521	2.443	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)N1CCCC1	409157439	QVATWZSWQSIKRA-ZVHZXABRSA-N	438.484	2.094	50	40	IEGB	
COC(=O)COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	9296318	MPVYSPSLMVKINB-MRXNPFEDSA-N	449.261	2.259	50	40	IEGB	
O=C(CNc1ccc(I)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	12374601	ACEANDXNYZUMAS-QGMBQPNBSA-N	440.197	2.467	50	40	IEGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1	12734352	VIGLIUPTJCDCPY-LLVKDONJSA-N	441.303	2.081	50	40	IEGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(Br)c1)S(C)(=O)=O	57411689	RFMDASOXZZURKB-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409157569	VHRKIRWOTZLNLY-DHRITJCHSA-N	430.892	2.012	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1	25422717	VUXBVKJBXXUEFO-SQQITKIUSA-N	439.493	2.309	50	40	IEGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cccc(Br)c1	34703424	LYERGCVGDURJNK-MOSHPQCFSA-N	438.347	2.404	50	40	IEGB	
CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1OC	34744900	YFCVOJJUTPFIMG-XKZIYDEJSA-N	449.529	2.182	50	40	IEGB	
NNC(=O)N/N=C(/C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1	8655306	RQYFWYOKQVUJFO-VJUVOTIISA-N	426.235	2.240	50	40	IEGB	
Cc1cc(C(=O)N/N=C2\C(=O)Nc3c(Br)cc(Br)cc32)[nH]n1	9086373	LOMXTFXDULEQDG-UHFFFAOYSA-N	427.056	2.329	50	40	IEGB	
Cc1ccccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1	409261048	ALNFKDDEXFCXPV-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
O=C(CC(=O)N/N=C/c1ccc(Br)o1)N/N=C/c1ccc(Br)o1	2347608	NHEMZLINWJTIIM-KGMKFKQSSA-N	446.055	2.388	50	40	IEGB	
CC[C@@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437456	VSVRGSHQWPGVGZ-FSPWUOQZSA-N	431.537	2.125	50	40	IEGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccco2)cc1	9120671	KJIKJDURLXDWRC-UHFFFAOYSA-N	429.454	2.188	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCC3)ccc1O	2418211	VGRQGSYZAZGXOL-UFFVCSGVSA-N	431.470	2.217	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CCC(=O)N/N=C/c2cccc(OC)c2OC)c1OC	8398506	GORRYZLPAQLMRZ-RNIAWFEPSA-N	442.472	2.102	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)cc1	20060374	CBHFLAGDWGBYTB-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1Br	95202408	LUEGHITVVSZWFC-PYCFMQQDSA-N	443.301	2.220	50	40	IEGB	
CC1=C(C#N)C(=O)N(CCN2CCOCC2)C(=O)/C1=C\Nc1ccccc1Br	8992983	HAYJNKMJWMGEJI-SSZFMOIBSA-N	445.317	2.286	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)cc1	20060470	KOYKGQIFTZMSIK-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1cc(I)ccc1O	28632324	ZGNFGOUZALALFO-LZYBPNLTSA-N	443.201	2.216	50	40	IEGB	
C=CCc1cc(/C=N\NC(=O)COc2ccccc2OC)cc(OC)c1OCC(=O)O	408855597	GVSVEOZFXQBAFY-FMCGGJTJSA-N	428.441	2.425	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)ccc1OCC(=O)Nc1ccccc1	409268903	ZJAPXDXJHZEKEY-GCMSVZMUSA-N	440.500	2.468	50	40	IEGB	
CCOc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OCC)c1OCC	9909065	BYBSGCOHDQSHAJ-LJQANCHMSA-N	430.457	2.484	50	40	IEGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OC	20207767	KNOBDCXEVAVJRJ-CIAFOILYSA-N	449.485	2.065	50	40	IEGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21	829980	OLFCWYACCCZZMH-UHFFFAOYSA-N	434.477	2.355	50	40	IEGB	
CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc([N+](=O)[O-])cc2)cc1	1891230	SBUULJMTZXJVMZ-SSDVNMTOSA-N	447.415	2.134	50	40	IEGB	
Cc1cc(C(=O)O)cc(S(=O)(=O)NNC(=O)c2ccccc2Br)c1C	13078308	GJTZVXNWAULQBO-UHFFFAOYSA-N	427.276	2.387	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/CCc2ccccc2)c1-c1ccc([N+](=O)[O-])cc1	15188679	FMJWVLRDABVILF-WSDLNYQXSA-N	447.415	2.156	50	40	IEGB	
CCc1sc(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1C	25400509	JCQITGKCQODEKX-AWEZNQCLSA-N	439.534	2.372	50	40	IEGB	
O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1ccccc1)c1ccco1	28622600	ZIYXCIMWCPRZBZ-LJQANCHMSA-N	436.537	2.359	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(F)c2)c1CSc1ccccc1	2264275	AQVYDXDDOSIQPU-LSHDLFTRSA-N	438.448	2.428	50	40	IEGB	
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)N2CCOCC2)cc1	2415787	IRIZGKHPYVDRPD-JQIJEIRASA-N	432.436	2.261	50	40	IEGB	
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1	13068266	FILOVBFNHYYMMX-INKLHFNDSA-N	429.498	2.151	50	40	IEGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)n(CCCN3CCOCC3)c(=O)c21	19890655	OJRHRQDFZPRAFA-NRFANRHFSA-N	436.512	2.106	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1OC	20211343	TYULVLRJFBIOBG-LPYMAVHISA-N	449.529	2.407	50	40	IEGB	
COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](NNC(=O)c2cccc(N(C)C)c2)C1=O	3346282	XUOLQOGBKABLHC-MRXNPFEDSA-N	430.892	2.290	50	40	IEGB	
Cc1ccsc1/C=N/NC(=O)CNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	9368744	LGZBOZFKIUSJIG-LPYMAVHISA-N	448.570	2.111	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)cc1	17632805	ANDJGCNFDOGUSA-UHFFFAOYSA-N	428.452	2.472	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C2CCN(C(=S)N[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	104214071	ZZVDYFFXHSMKLH-AOUAYPPESA-N	428.558	2.402	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409272125	OSBHUZXXVXYYMY-ANDSAHIGSA-N	440.500	2.386	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	3201059	VRCSTCUVVHYHRS-HAVVHWLPSA-N	444.557	2.318	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1F	20211724	FPLWQTZXFOMGPC-UFFVCSGVSA-N	437.518	2.236	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc(OC)c1OC	20213849	MBUNIXVBKIMQRW-WSDLNYQXSA-N	449.529	2.246	50	40	IEGB	
Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)cs1	40128791	UARUDSZNMPQLGZ-UHFFFAOYSA-N	428.426	2.029	50	40	IEGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-]	8820291	GCWQKWGUMUPBMM-GXDHUFHOSA-N	446.466	2.240	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1	20210298	PQIDIUUFTBRDJP-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)c(OC)c1	20210907	HGRLEDGMGALFBG-UDWIEESQSA-N	437.543	2.342	50	40	IEGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc(OC)c2OC)c(C)c(C#N)c1=O	30834235	LBJKPTSBFJVRRT-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
CC(C)(C)OC(=O)NNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br	40160879	IVBUHEMYFDJMQD-UHFFFAOYSA-N	448.339	2.403	50	40	IEGB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccccc3Cl)C2=O)cc1	408531574	ONKCZPZOBNQNBZ-RVDMUPIBSA-N	428.832	2.140	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1	408778870	YWOYNURKOJSBHB-SRZZPIQSSA-N	437.905	2.351	50	40	IEGB	
CCN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)CC1	8772171	PNQWETLBCUHHPZ-KNTRCKAVSA-N	449.536	2.175	50	40	IEGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1	8877325	DKBBCEVXAXMCEM-GHRIWEEISA-N	429.498	2.399	50	40	IEGB	
O=C(O)c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	96576725	CEQHJTXSEMZZGM-RHLNUJDMSA-N	435.889	2.342	50	40	IEGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCC(C)C)c2)cc1	409167712	JKOSRNATQYURBZ-AFUMVMLFSA-N	440.500	2.325	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(C)cc1	409265799	PGOAJXSQGAEUTF-ZMOGYAJESA-N	438.484	2.140	50	40	IEGB	
O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	13135515	AKZDDUBYWCCTHK-UHFFFAOYSA-N	446.485	2.234	50	40	IEGB	
COc1ccccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(C)(=O)=O	408906057	AIFVAIWBJJMORK-SRZZPIQSSA-N	449.554	2.106	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1	409269120	FKBWNFHGAPWDPG-LUILSVGHSA-N	426.473	2.078	50	40	IEGB	
CC(C)N1C(=O)/C(=N\NC(=O)CNC(=O)c2ccc(Br)cc2)c2ccccc21	13943010	SLNAWTAVNIPEDO-MOHJPFBDSA-N	443.301	2.454	50	40	IEGB	
CC1=C(C#N)C(=O)N(CC(=O)O)C(=O)/C1=C/c1c(C)nn(-c2ccc(Cl)cc2)c1O	32109902	WSKHTTQBFWDQAN-VGOFMYFVSA-N	426.816	2.217	50	40	IEGB	
COc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1	138888495	UCHUGYRWGHODGZ-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cc(Cl)ccc1C	409158387	XZPSFWMMTWMASY-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC	20493184	ZEDJEGHPILLMTO-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409157184	PFCQYIPPQXLMQR-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)C(=O)NNC(=O)c2ccncc2)cc1	3144139	KTQLKJGMUGZBJS-INIZCTEOSA-N	445.479	2.222	50	40	IEGB	
CN1C(=C(C#N)C(=O)CN2C(=O)N[C@H](CCc3ccccc3)C2=O)N(C)c2ccccc21	3336039	XSJLAXKUFWVSDD-GOSISDBHSA-N	429.480	2.430	50	40	IEGB	
O=C(NNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1	14201090	HXQAYWNKTZMCRY-MRXNPFEDSA-N	425.869	2.093	50	40	IEGB	
COc1ccccc1CNC(=O)C/C(C)=N/NC(=O)C(=O)Nc1cc(C)ccc1OC	15162389	MZYYRARCTSBFIY-MFKUBSTISA-N	426.473	2.149	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(=O)N1CCCC1	409199659	INNLQRJKDSNNIY-GQEMFKIVSA-N	427.501	2.289	50	40	IEGB	
COc1ccc(OCc2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)n2C)cc1	873911	TZLSUDRXISJNIB-UHFFFAOYSA-N	441.513	2.264	50	40	IEGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(=O)N1CCOCC1	1438050	AJUTVIQIFFFUHR-SFHVURJKSA-N	425.445	2.166	50	40	IEGB	
CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1ccncc1	3144131	BAYAFOCQQQFXRC-IBGZPJMESA-N	445.479	2.304	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2OC)S(C)(=O)=O)cc1Cl	408777089	VJPVQNOPRXKFJW-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2C)c1	25685773	OVXKJILMADIFMR-LGMDPLHJSA-N	431.445	2.417	50	40	IEGB	
COc1cc(C(=O)NN[C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)cc(OC)c1OC	2347438	FFTLAYGILAOUGB-QGZVFWFLSA-N	449.463	2.432	50	40	IEGB	
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	9631505	OETZEYIDCUFEIE-LJQANCHMSA-N	435.528	2.416	50	40	IEGB	
CCCOc1c(Cl)cc(C(=O)NNC(=O)c2n[nH]c(=O)c3ccccc23)cc1OC	12971856	GJFPFLLMTXGMQQ-UHFFFAOYSA-N	430.848	2.449	50	40	IEGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)c1ccccc1	59959869	KJZWMKLULRFICO-OXVLKEGXSA-N	448.479	2.302	50	40	IEGB	
O=C(O)c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	96576726	CEQHJTXSEMZZGM-KKJJZKEWSA-N	435.889	2.342	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1OC	408868980	QCZQNKVOMGTJPQ-LPYMAVHISA-N	435.477	2.315	50	40	IEGB	
COc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1	409185069	RGYOXIKRFRZQAM-UHFFFAOYSA-N	430.530	2.088	50	40	IEGB	
C[C@@H]1CCCN(c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2[N+](=O)[O-])C1	9884093	OFWUNYKKFNQZBH-VLIAUNLRSA-N	440.456	2.432	50	40	IEGB	
Cc1ccc(-c2nc(C(=O)NNC(=O)Cc3csc(N4CCOCC4)n3)cs2)cc1	17525536	NDFHHIVSQCWTRI-UHFFFAOYSA-N	443.554	2.415	50	40	IEGB	
O=C(CCNC(=O)C12CC3CC(CC(C3)C1)C2)NNC(=O)c1cc(Br)c[nH]1	24123441	BHCRDVJJYRQTNQ-UHFFFAOYSA-N	437.338	2.261	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc(OC)c1O	57510517	RRCOJWUMVAGFIC-QGZVFWFLSA-N	441.465	2.365	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/C2CCCCC2)c1-c1cccc([N+](=O)[O-])c1	9348289	NQXZFHGUKLPYFM-KEBDBYFISA-N	425.409	2.104	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1	409161826	BCKAMHIABRLOCR-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
C[C@H](/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1)c1ccccc1	8407317	IDRHEYFIXBARBZ-LJGKHRNASA-N	437.508	2.128	50	40	IEGB	
C[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	9983246	ZZWHKPXERJXLGF-LLVKDONJSA-N	438.267	2.116	50	40	IEGB	
OC[C@@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)CO	101018042	YTBNGPBJPSPRCD-VWDOSNQTSA-N	447.787	2.415	50	40	IEGB	
C[C@@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408659573	SVCFXYDXTUBFKQ-WMLDXEAASA-N	443.887	2.254	50	40	IEGB	
CCOC(=O)CC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)[C@@H](C(=O)OCC)C(=O)N1	2367827	WWMKYRCQEAUKDS-ZWKOTPCHSA-N	448.472	2.209	50	40	IEGB	
CCOc1ccc(C(=O)NNC(=O)Cn2c(S)nnc2-c2ccc(C)cc2)cc1OC	12693878	VEDHHCOWKKDTIQ-UHFFFAOYSA-N	441.513	2.411	50	40	IEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1	24488796	CMFKNXFOKSQRDJ-HNNXBMFYSA-N	425.441	2.017	50	40	IEGB	
N#CCc1ccc([C@@H](C#N)/C(CCC(=O)Nc2cccc([N+](=O)[O-])c2)=N\NC(=O)NN)cc1	25586165	NKVVTHYPBQNOSP-WOASQQQASA-N	448.443	2.216	50	40	IEGB	
COc1cc(Br)c(OC)c(C(=O)NNC(=O)COc2ccccc2F)c1	26697319	QDEKLXNTALVNER-UHFFFAOYSA-N	427.226	2.445	50	40	IEGB	
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3O)CC2)c(C)c1	13021259	ANADFYQSKQHQJD-UHFFFAOYSA-N	445.541	2.179	50	40	IEGB	
COc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1	408648556	ZECAGNVIMUELSZ-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409169201	PPLKONJCDXNYDE-WYMPLXKRSA-N	440.500	2.304	50	40	IEGB	
O=C(CCOc1ccccc1)NNC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1	18111243	VLFAPKCRYAOANJ-UHFFFAOYSA-N	428.466	2.484	50	40	IEGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(C)n2C)c1	9689733	IZIDKPKPWKHMTO-UHFFFAOYSA-N	442.497	2.218	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)/C=C/c2c(F)cccc2Cl)cc1	14844740	XYKQCOKHBUEBDD-ZHACJKMWSA-N	439.896	2.269	50	40	IEGB	
CCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	16844359	URPIYSVEOJKEBI-WLBMUGLSSA-N	449.536	2.470	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OC	20210258	LYEOCWJMZMAWNQ-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
CCOc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1	408663076	KVZXWXFNCLFWJU-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
COc1ccc(-c2csc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3Cl)n2)cc1OC	575420620	DKCNEUYBXYSIJG-ZYHUDNBSSA-N	431.923	2.353	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1F	20211643	ZDYDIJKMYNPPEG-UFFVCSGVSA-N	437.518	2.236	50	40	IEGB	
COCCCNC(=O)/C(C#N)=C/c1cc(I)c(OC)c(OC)c1	408800201	NRMLABCEEDZPQL-KPKJPENVSA-N	430.242	2.368	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc2c(c1)OCO2	409001679	QGFXHCCRZRBNLH-CFRMEGHHSA-N	441.484	2.175	50	40	IEGB	
COc1ccc(-c2csc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3Cl)n2)cc1OC	575420612	DKCNEUYBXYSIJG-CMPLNLGQSA-N	431.923	2.353	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1cccs1	9291698	APOIYQOVBWEOQH-CIAFOILYSA-N	437.489	2.084	50	40	IEGB	
Cc1ccc2cc(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)[nH]c2c1	12942182	GNVGJPLPGKRQJL-UHFFFAOYSA-N	426.498	2.336	50	40	IEGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)c(OC)c1)c1ccccc1	408979588	NAOZYDHZNAFUSD-YXUUZYBBSA-N	443.456	2.486	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Br)cc1	408534634	MLMXWTOVMCDVGH-VRNPJAIHSA-N	447.289	2.048	50	40	IEGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OC)c2)cc1OCC	409326419	KDKYDFQXQCIGSN-CFRMEGHHSA-N	427.457	2.287	50	40	IEGB	
O=C(Cc1ccccc1[N+](=O)[O-])NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12	9054596	ZGHUDIFLSBZPTG-UHFFFAOYSA-N	443.419	2.298	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OCC)cc2)cc1	409150573	CSGBBQUOSRFKNF-MFKUBSTISA-N	440.500	2.469	50	40	IEGB	
COc1cccc(CC(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	408845893	MEUVYJFANFIUAJ-MFKUBSTISA-N	434.496	2.202	50	40	IEGB	
Cn1c(=O)n(C)c2cc(/C=N/NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)ccc21	409093043	YVCXEUPHNUFWGF-VULFUBBASA-N	439.475	2.495	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3C[C@H](C)O[C@@H](C)C3)nc12	8766854	HGEOJHVNUZESCT-QUXGOIKBSA-N	447.495	2.433	50	40	IEGB	
O=C(CCc1ncc(-c2ccccc2F)o1)NNC(=O)c1csc(N2CCOCC2)n1	10292477	BANRQQVGMHOBAZ-UHFFFAOYSA-N	445.476	2.168	50	40	IEGB	
N#C/C(=C\c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1)C(=O)NC1CC1	3411071	YPGGXUOBVLUFMR-DTQAZKPQSA-N	427.482	2.153	50	40	IEGB	
CC(C)C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	8691660	TYMIIMVBEWBJTR-BHVOEOKESA-N	437.128	2.264	50	40	IEGB	
O=C(NNC(=S)NC[C@@H]1CCCO1)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1	33523255	WHHXTBWMIOVRTF-SFHVURJKSA-N	430.486	2.462	50	40	IEGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccco3)c2)cc1	409263700	BQOLQZQMIWPBTQ-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
Cc1cc(/C=N/NC(=O)c2nn(Cc3ccc([N+](=O)[O-])cc3)cc2Br)n(C)n1	1087025	IGPCZCNEGZAUSE-UFWORHAWSA-N	446.265	2.408	50	40	IEGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)s2)cc1	1953726	YKOOVPBUBVLTKT-RGVLZGJSSA-N	440.441	2.400	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCC(=O)N(C)C	3504134	QJCWQLMWGQXEMT-ZVBGSRNCSA-N	435.278	2.084	50	40	IEGB	
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1cnc2ccccn2c1=O	24840746	HYQRRLHBFDJPER-UHFFFAOYSA-N	428.448	2.125	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1	409170231	UFTOEJPHTDAFFG-WYMPLXKRSA-N	444.463	2.217	50	40	IEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)N2CCCC2)c1	409247472	CKOPEWIWMTUDFG-BUVRLJJBSA-N	438.484	2.175	50	40	IEGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(I)c1OCC(=O)O	34387417	KNRUNAZAPBMFNL-WCIBSUBMSA-N	444.225	2.195	50	40	IEGB	
CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1)c1ccc(OC)cc1	59490230	FLSBNKNEDPFRHR-PXLXIMEGSA-N	449.529	2.409	50	40	IEGB	
O=C(COC(=O)C1C[C@H]2CCC[C@H](C1)C2=O)NNC(=O)c1ccccc1Br	101852187	BYKNPLGZIYWYAB-VXGBXAGGSA-N	437.290	2.149	50	40	IEGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2OC)cc1	58874010	HOFYYIHRTMDLTH-OEAKJJBVSA-N	426.473	2.031	50	40	IEGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1Cl	408644558	GPPZCOLESAPTEX-HNNXBMFYSA-N	429.860	2.006	50	40	IEGB	
C=CCOc1c(I)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1OCC	409237712	BIGPPGKMWQRPLV-WDZFZDKYSA-N	441.225	2.357	50	40	IEGB	
O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NNC(=O)c1ccccc1	2306811	ZXWCXWIFHKGWMQ-UVTDQMKNSA-N	434.399	2.272	50	40	IEGB	
CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1	13019397	POFBPWRBOMDYQA-FQEVSTJZSA-N	443.500	2.318	50	40	IEGB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1/C=N/NC(=O)c1cc2ccccc2cc1O	19630653	MAICIZHECXIMTQ-CBVHTYNASA-N	426.498	2.482	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1Cl	60512719	MCWTXZZQFUMXTJ-FOKLQQMPSA-N	446.891	2.341	50	40	IEGB	
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN2CCN(C)CC2)=C(C)N1	68606359	SUJLFJIXYKLRRO-NRFANRHFSA-N	425.489	2.144	50	40	IEGB	biogenic
CC(=O)Nc1cccc(-c2nnc(SCC(=O)NNC(=O)COc3ccccc3)o2)c1	408636989	FBDDEAQRVYRKIR-UHFFFAOYSA-N	441.469	2.014	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccc(Cl)cc3)nnn2-c2nonc2N)c1	2453325	NZFBWPAARXENQN-LSHDLFTRSA-N	438.835	2.325	50	40	IEGB	
COc1ccc(Cl)cc1N1C(=O)C[C@@H](NNC(=O)Cc2c[nH]c3ccccc23)C1=O	3346300	DRVLYWDMEHRDAW-MRXNPFEDSA-N	426.860	2.325	50	40	IEGB	
CC(=O)c1cccc(O[C@@H](C)C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1	95939664	NNANQKVDOYURCY-INIZCTEOSA-N	448.520	2.292	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1	104371616	MDWUPFCAXLMXGJ-ZPHPHTNESA-N	447.557	2.190	50	40	IEGB	
Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	8825585	UVBFIDHUMNOYOW-UHFFFAOYSA-N	437.452	2.417	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)cc1OC	408782113	HPFXUXKLMOMSNN-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3Cl)n2)cc2sc(=O)oc12	408975000	HFFOGVUDHJPVDG-DNTJNYDQSA-N	444.860	2.320	50	40	IEGB	
O=C(NNS(=O)(=O)c1cccs1)c1ccccc1NS(=O)(=O)c1cccs1	16150926	ZWJXCDAOVCIFSK-UHFFFAOYSA-N	443.553	2.234	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1	409162428	DVUPEXWMFOHEKO-AFUMVMLFSA-N	438.484	2.164	50	40	IEGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1	8722032	GDIQMPVKPHTYAG-WYMPLXKRSA-N	430.892	2.010	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccccc1	9309718	WXZBELMTQWIXFU-OEAKJJBVSA-N	431.460	2.023	50	40	IEGB	
Cc1cc(C)n(CC(=O)NNC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)n1	49597302	DJZCGPCXWXTHIZ-UHFFFAOYSA-N	433.512	2.353	50	40	IEGB	
O=C(NN/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O)c1ccccc1[N+](=O)[O-]	95471579	FIHSUFXIYOXDJU-LCYFTJDESA-N	429.776	2.490	50	40	IEGB	
COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](NNC(=O)c2cccc(N(C)C)c2)C1=O	102347056	XUOLQOGBKABLHC-INIZCTEOSA-N	430.892	2.290	50	40	IEGB	
COc1cc(/C=N/NC(=O)CNC(=O)COc2ccc(Cl)cc2)cc(Cl)c1O	9305460	HSPOZDCUKVYXTA-GZIVZEMBSA-N	426.256	2.353	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1O	16688771	XMFYBMWZDZBIBN-RGVLZGJSSA-N	425.894	2.215	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)c1	20210152	CSCPNERMLKSGJH-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
O=C(CCCN1C(=O)c2ccccc2C1=O)NNC(=O)c1ccc(Br)cc1	3294123	KWQQPNYUHAKXLF-UHFFFAOYSA-N	430.258	2.287	50	40	IEGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	13602540	JOVXISNMGICDDI-XTCLZLMSSA-N	437.463	2.407	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)c1	16187056	ZYZPAJXZYMLBDF-YBFXNURJSA-N	440.319	2.229	50	40	IEGB	
CCn1c(=O)c(C(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c(N)n(Cc2ccccc2)c1=O	96792521	JAKQVJWZBKNRGG-YVLHZVERSA-N	444.447	2.179	50	40	IEGB	
COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cccc(Br)c3)CC2=O)cc1	408615916	UNGLEXNDAFLLGM-ZDUSSCGKSA-N	432.274	2.272	50	40	IEGB	
CCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc(Br)ccc2O)s1	1958302	KPUWHFJRBOJADK-CAOOACKPSA-N	426.296	2.438	50	40	IEGB	
O[C@H]([C@H](Br)CBr)[C@H](O)[C@@H](Br)CBr	104185234	PDGJYFHAJOJUON-JGWLITMVSA-N	433.760	2.025	50	40	IEGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1	409335764	XQDQPIZRRWLVQL-MRXNPFEDSA-N	425.466	2.454	50	40	IEGB	
COc1cccc(CC(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1	2627404	DHTYBDUZTFDHHJ-UHFFFAOYSA-N	442.475	2.457	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1OCC(=O)N1CCOCC1	2633147	NLJJBXQLNADFAD-LFIBNONCSA-N	442.497	2.325	50	40	IEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)O[C@@H]3CCCC(=O)[C@H]32)ccc1OCCN1CCOCC1	20130945	HOBDXMMBUUQKFW-YMPZKCBVSA-N	441.528	2.342	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1)NCc1ccco1	409185431	LKMJVSPXTFFGPA-PXYXSCDOSA-N	435.436	2.265	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1S(=O)(=O)NC(C)C	17159199	ZZUCFMRLPFYURX-UHFFFAOYSA-N	449.573	2.359	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409160255	WLZJIUGAQRTTGP-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C/c3ccccc3Cl)nnn2-c2nonc2N)c1	9307150	HNVWRSVLLGRUSG-LSHDLFTRSA-N	438.835	2.325	50	40	IEGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12	10186400	ALIUJIOGFVSUAI-DEOSSOPVSA-N	427.416	2.051	50	40	IEGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1	12728884	KJWJNPPPGSBVCO-MRXNPFEDSA-N	438.484	2.109	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)c(OC)c1OC	22942841	LNPVHFCRLXETCA-MFKUBSTISA-N	440.544	2.289	50	40	IEGB	
CC(C)(CC(=O)NNC(=O)c1cccnc1)CC(=O)N1CCN(c2ccccc2F)CC1	10060159	SJQVTGXBMRWODU-UHFFFAOYSA-N	441.507	2.137	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3cccnc3)cc2)cc1	12763192	YTPRYEKEGRUPSP-UHFFFAOYSA-N	438.509	2.286	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)Nc1ccc(F)cc1	58873424	QSPIFEOPBUGFIJ-ZMOGYAJESA-N	426.448	2.352	50	40	IEGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21	2581809	HJVVDZWQBWBENG-DAFNUICNSA-N	442.903	2.184	50	40	IEGB	
CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437451	WQYAIAZIGVLFMK-ROUUACIJSA-N	431.537	2.125	50	40	IEGB	
Cc1sc(=O)n(CC(=O)NNC(=O)c2ccc3c(c2)OCCO3)c1-c1ccc(F)cc1	58292346	OIQIHPDKSCLWKB-UHFFFAOYSA-N	443.456	2.257	50	40	IEGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNC(=O)CN1CCCc2ccccc21	12590009	FUOXZZFFQTXATP-UHFFFAOYSA-N	431.496	2.272	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccccn1	13805762	MYEJHJKXHFYEAR-YDZHTSKRSA-N	449.500	2.382	50	40	IEGB	
NC(=O)c1ccc(C(=O)NNC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1	58159974	GNDGAPJHYQJUSE-UHFFFAOYSA-N	432.465	2.170	50	40	IEGB	
COc1cccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)OC(=O)[C@H]45)[C@H]23)c1O	100872022	SPEHUXFIJAAOEY-HLGGVZLHSA-N	431.491	2.339	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	408924528	JPFKPDRVHFYNFE-ZXOFLVKFSA-N	434.474	2.298	50	40	IEGB	
CC1(CC(=O)N/N=C/c2cc(Br)c(O)c(Br)c2O)OCCO1	13896309	RWXMLBMRUYCWAE-OMCISZLKSA-N	438.072	2.226	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1[N+](=O)[O-]	20209492	VRGONIAAKPRYOR-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1	28264126	OTAVQSVXJHGXQA-CYBMUJFWSA-N	432.274	2.272	50	40	IEGB	
CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@@]21C(=O)N(CCc2ccccc2)c2ccccc21	80328524	DTUGNJPWIFIWLZ-RUZDIDTESA-N	426.476	2.400	50	40	IEGB	
C[C@@H](C(=O)N/N=C/c1cccc(OC2CSC2)c1)N(c1ccccc1)S(C)(=O)=O	408908133	UDNMHQPUXUQNMW-NGZBARDMSA-N	433.555	2.486	50	40	IEGB	
CCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2cc(Br)ccc21	100192409	SHXSSTSOSGDSEJ-WFOVFMPGSA-N	430.258	2.476	50	40	IEGB	
Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)CNc3ccc(C)c(C)c3)C(=O)NC2=S)cc1	408755468	VBERVZZUAGKNAL-HJJPONFSSA-N	437.525	2.190	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	408925896	RRBWVMFACUIJMW-WXUSHSQQSA-N	449.529	2.407	50	40	IEGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Br)cc1	9509595	CRELTVKSNJXYTO-UHFFFAOYSA-N	449.261	2.269	50	40	IEGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O	20212725	HPOQCFDYAJWCSF-WSDLNYQXSA-N	434.905	2.467	50	40	IEGB	
Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccc(OC(C)C)cc1	40120708	SNJHLGKENNZUDO-IBGZPJMESA-N	426.452	2.153	50	40	IEGB	
COc1ccc2c3c1O[C@]1(C)[C@@H](OS(C)(=O)=O)[C@@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505061	PLEJCHVAAIVYOT-LFHWYUKOSA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	408842459	PKMMKFJOMLYVIU-YDZHTSKRSA-N	431.876	2.107	50	40	IEGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2OC)cc1	409262964	JSUOPMLUYZHTJT-ZMOGYAJESA-N	438.484	2.004	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	409263796	OHOJVXTULVKCAI-LJGKHRNASA-N	426.473	2.078	50	40	IEGB	
C=CCNc1nnc(SCC(=O)NNC(=O)c2ccc(Br)cc2)s1	11394006	UJAXQUXMQGDSTI-UHFFFAOYSA-N	428.337	2.452	50	40	IEGB	
COc1cc(/C(C)=N/NC(=O)CCC(=O)N/N=C(\C)c2ccc(O)c(OC)c2)ccc1O	19635832	JSANCOJVRZCXFY-RNIAWFEPSA-N	442.472	2.276	50	40	IEGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)c1	20504066	XWGCJLJHMKOHHP-OAQYLSRUSA-N	436.512	2.106	50	40	IEGB	
O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(Br)c1	409009587	GMZJJXQCWITXBA-XKZIYDEJSA-N	446.301	2.451	50	40	IEGB	
COC[C@@H](C)n1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O	3396355	OMLFKCJAXMJSPC-CQSZACIVSA-N	426.498	2.157	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)ccc1O	408774579	WMZZRNLGQXIAJV-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
C[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	9510964	HRMYNBIBSMQDRD-OXAYRVNQSA-N	431.558	2.329	50	40	IEGB	
CCOc1ccc(OCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1	9672748	FPQVKVRBTVKYJV-UHFFFAOYSA-N	440.544	2.214	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccccc1Br)S(=O)(=O)c1ccc(F)cc1	16187143	GXUUEXKKTXBUJW-VXLYETTFSA-N	428.283	2.359	50	40	IEGB	
N#C/C(=C/c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1)C(=O)NC[C@@H]1CCCO1	33635199	IWMSYKYOPHKIPH-QTGVEXNYSA-N	434.496	2.091	50	40	IEGB	
CCOC(=O)CC(=O)SC1=C(C#N)[C@@H](c2ccc(OCC)cc2)[C@@H](C(=O)OC)C(=O)N1	102812737	OPRHCFLVJMVBDC-QZTJIDSGSA-N	446.481	2.036	50	40	IEGB	
O=C(CC(=O)N/N=C/c1cc2c(cc1Br)OCO2)NCCc1ccccc1	59516044	AQXMEHQRZFPAAA-SSDVNMTOSA-N	432.274	2.377	50	40	IEGB	
CCCCCn1nc(C(=O)NNS(=O)(=O)CCCC(F)(F)F)c2ccccc2c1=O	95452403	DQYCDRKTHVXRDJ-UHFFFAOYSA-N	448.467	2.493	50	40	IEGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(=O)O)CC2)cc1OC	409007484	WRRLTBZIYAQRJI-ZVHZXABRSA-N	439.468	2.405	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1	16691588	LVMMWNFGOORJKO-CNRHGSOZSA-N	433.486	2.088	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	20060405	LLJUFKBXBHMJNT-KGENOOAVSA-N	435.502	2.019	50	40	IEGB	
COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1O	59922174	ZNZKIRCXCMYEKE-HYARGMPZSA-N	431.514	2.260	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OCC)c1	409154718	PPDNQHINRNQTET-AFUMVMLFSA-N	440.500	2.251	50	40	IEGB	
COc1cc(C(=O)NC(=S)NNC(=O)COc2ccc(C)cc2C)cc(OC)c1OC	2136067	OFCYRGYZCNBGIC-UHFFFAOYSA-N	447.513	2.044	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccnc3)nnn2-c2nonc2N)cc1	9330014	NVKMDAAKVWFKSR-ZMOGYAJESA-N	447.459	2.237	50	40	IEGB	
Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)C1=O	106301398	GGNOXXJSHUQNDO-FQIOEHTJSA-N	449.467	2.204	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OCC)c1	409168238	LTKDUNQCMDYYRD-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
CCOC(=O)NNC(=S)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2	8397470	IRZNMDZTRUNYED-UHFFFAOYSA-N	444.535	2.387	50	40	IEGB	
O=C(O)COc1ccccc1/C=N\NC(=O)CN1CCN(Cc2ccccc2Cl)CC1	19849421	XWHMSSLHPDGWCB-CFRMEGHHSA-N	444.919	2.071	50	40	IEGB	
CSc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	30742607	VKTNUQCLKYLOGY-JCMHNJIXSA-N	446.598	2.174	50	40	IEGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	408877982	ZLSCWCMPXNPYNR-HYARGMPZSA-N	449.529	2.409	50	40	IEGB	
NNC(=O)N/N=C(\C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1	5808912	RQYFWYOKQVUJFO-FQIOEHTJSA-N	426.235	2.240	50	40	IEGB	
CN(Cc1c(C(=O)N/N=C/C=C/c2ccccc2)nnn1-c1nonc1N)C1CCCCC1	9308247	NAMBJJZMZSDYFV-AGPUXGRSSA-N	449.519	2.426	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1ccc([N+](=O)[O-])cc1	9360038	BEERJSBNXRQYDY-DJKKODMXSA-N	439.417	2.023	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(O)c(OCC)c2)S(C)(=O)=O)cc1	19954884	IUEOLYUSLVJLJQ-FYJGNVAPSA-N	435.502	2.106	50	40	IEGB	
COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2cccc(Br)c2)c1C	58914007	HKIKGPDJGCBONO-UUYOSTAYSA-N	435.322	2.459	50	40	IEGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(OCC(=O)NCC(C)C)cc2)cc1	223152592	MRNZSFRHZZXTFJ-QFEZKATASA-N	440.500	2.325	50	40	IEGB	
CC(=O)c1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1	408645218	KGBLQPXONVMIQD-UHFFFAOYSA-N	425.441	2.002	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(OC)cc3)nnn2-c2nonc2N)c1	2390139	MKMWBVRCTDGPAR-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(OCc2cccc(F)c2)cc1	2541975	RCFHONRKXJDXHS-AUEPDCJTSA-N	436.407	2.023	50	40	IEGB	
COc1cc(C(=O)C/C(CCC(=O)Nc2ccccc2[N+](=O)[O-])=N/NC(N)=O)ccc1O	5889387	OXWHQTRBCYRVOJ-YDZHTSKRSA-N	443.416	2.325	50	40	IEGB	
C/C(=N\NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O)c1ccccc1O	16136872	PTTGKIJHDLNYRL-XDHOZWIPSA-N	440.319	2.461	50	40	IEGB	
CN(C(=O)OCc1ccccc1)N(Cc1c[nH]c(=O)[nH]c1=O)C(=O)OCc1ccccc1	1621575	JXDGCJOAIAMSEG-UHFFFAOYSA-N	438.440	2.386	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1	2411265	GOQKOBJBKXENAQ-SSDVNMTOSA-N	443.481	2.289	50	40	IEGB	
C/C(CC(=O)NC[C@H]1CCCO1)=N\NC(=O)c1ccc(I)cc1	12528867	VVJOAPXWGLOFHF-HIPSJFSSSA-N	429.258	2.082	50	40	IEGB	
COCCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2sc(C)c(C)c2c1=O	12710871	BEGKZURQSKWGQG-UHFFFAOYSA-N	446.554	2.275	50	40	IEGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1	21921461	LKNYQYLWDXCIJQ-HNNXBMFYSA-N	426.448	2.157	50	40	IEGB	
CCOC(=O)CNC(=O)[C@H](CSSC(=O)OC)NC(=O)OCc1ccccc1	5104147	ZOAACMCSCUELCX-ZDUSSCGKSA-N	430.504	2.109	50	40	IEGB	
COc1ccccc1NCC(=O)NN/C=C1/C(=O)N(c2ccccn2)C(=O)c2ccccc21	33014824	IWOMMLAWKUVKMO-NBVRZTHBSA-N	443.463	2.351	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccccn3)cc2)cc1	58873882	SSOIDWHTHTVLCS-MZJWZYIUSA-N	445.479	2.174	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)c1O	59443780	MAZFCNOPULQQJF-LPYMAVHISA-N	443.481	2.335	50	40	IEGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	408768263	VMWVGLMRPYLUNB-PXLXIMEGSA-N	449.529	2.409	50	40	IEGB	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(Cn2nnc3ccccc32)cc1	15513341	MSBGAAMJQUPQEA-UHFFFAOYSA-N	425.452	2.291	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1OC	16267383	VNYLSCMNYNNJMY-WSDLNYQXSA-N	433.530	2.400	50	40	IEGB	
CCOC(=O)/C(C#N)=C/C(C(=O)OCC)=C(/N)N1CCN(c2c(C)cccc2C)CC1	100205541	HILNRWIQHTVSLA-PSXREUOSSA-N	426.517	2.172	50	40	IEGB	
O=C(CCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F)NNC(=O)c1ccccc1	408644601	HCBKCIMXAINOCN-UHFFFAOYSA-N	437.374	2.429	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc2c1OCO2	1852714	UAAQQDPYTZXMIW-LIRRHRJNSA-N	437.452	2.291	50	40	IEGB	
COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1	17095799	PFTKZLWGTJVWQH-PDGQHHTCSA-N	428.470	2.231	50	40	IEGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCC(=O)N1CCC(c2ccccc2)=N1	21921454	LKNYQYLWDXCIJQ-OAHLLOKOSA-N	426.448	2.157	50	40	IEGB	
CC1(C)CC(N(C(=O)CCl)[C@@H]2CCS(=O)(=O)C2)CC(C)(C)N1C(=O)CCl	217376115	QBTKGWWEROUCPP-GFCCVEGCSA-N	427.394	2.028	50	40	IEGB	
Cc1cccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)c1	408869020	QHZQGRAEICTPEM-SRZZPIQSSA-N	433.555	2.406	50	40	IEGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O1	3653509	IOXJACJFBTUQPH-LJQANCHMSA-N	446.456	2.290	50	40	IEGB	
CCN(CC)C(=O)COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(COC)c32)cc1OC	8441865	PAIQHAKPAIEBBT-IBGZPJMESA-N	441.488	2.030	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1	409120571	UIUOEWXXNAOQTR-DJKKODMXSA-N	428.829	2.304	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1	8829377	FCZOEQIMJUCDOC-UHFFFAOYSA-N	425.514	2.417	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1	20064621	IWDAIGRWMHXKFU-ZVHZXABRSA-N	428.920	2.395	50	40	IEGB	
COC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2ccccn2c1=O	20170614	XNHJQRCLCWLMMH-XDJHFCHBSA-N	429.480	2.097	50	40	IEGB	
CCOc1ccc(/C=N\NC(=O)CN(CCc2ccccc2)S(C)(=O)=O)cc1OC	33664732	IYLBSXBQMSIXEJ-JCMHNJIXSA-N	433.530	2.048	50	40	IEGB	
COc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2cccc3ccccc23)C1=O	408536828	SOYQKDSVNHFGGW-ZRWQFTNJSA-N	430.420	2.463	50	40	IEGB	
COc1cc(C(=O)NNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1OCCC(C)C	39976171	DGKWSXFDTGIHPI-QVKFZJNVSA-N	435.546	2.335	50	40	IEGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]2[C@H]2C[C@@H]3[C@H](C(=O)O)[C@H]12	102707369	KSKYMHXYFVXPIQ-NNJRMHGESA-N	446.462	2.453	50	40	IEGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	1504528	ANBAXPKEVXDNCQ-COOPMVRXSA-N	426.476	2.413	50	40	IEGB	
CCOC(=O)c1ccc(Oc2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1	9282317	IMDGOBLWBHMMCT-UHFFFAOYSA-N	426.429	2.428	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	9850889	CAJQDSILTUDIAW-UFFVCSGVSA-N	444.391	2.384	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1O	16186842	QWNQNIAUVJDBFN-AWQFTUOYSA-N	446.312	2.478	50	40	IEGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c(C)c1	408653874	GBFBLTFDUYYOAW-HNNXBMFYSA-N	443.887	2.314	50	40	IEGB	
Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)c1	408533561	KDQRYYVOSXSADR-AMAFCZHPSA-N	449.467	2.204	50	40	IEGB	
CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408657965	KHSSNBQTGXRPJY-IBGZPJMESA-N	437.496	2.169	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccc1	408743358	VWFOFNQHZYYTOD-DGURAOSJSA-N	445.298	2.229	50	40	IEGB	
O=C(NNC(=S)NC(=O)c1ccccc1I)c1cccs1	12501557	LNPYLPMIMJRYAK-UHFFFAOYSA-N	431.280	2.302	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ccc(C)cc2C)cc1	14244408	CLXPQLONTOQRGS-UHFFFAOYSA-N	435.571	2.172	50	40	IEGB	
CCOc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	408662415	HYSPJNPHMYXKRA-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OCC)c1	409159479	MPXFCRYUTBDVKB-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
Cc1ccc(C(=O)NN(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)cc1	2164223	YBJMRCPIKQDKDY-UHFFFAOYSA-N	442.541	2.396	50	40	IEGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(C)(=O)=O	408881953	OLAIEZCHGCPTBG-HZHRSRAPSA-N	446.529	2.268	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C)s3)nnn2-c2nonc2N)cc1	2415079	CCASMFBOLQXFSJ-UFFVCSGVSA-N	438.473	2.432	50	40	IEGB	
C[N+]1(CI)CC2CC(C1)C[N+](C)(CI)C2	5431095	SRABFKLGSVQAPY-UHFFFAOYSA-N	436.119	2.314	50	40	IEGB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	8820243	ZNOPTOCRSOMGCX-MDWZMJQESA-N	448.507	2.319	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)ccc1O	16688768	CDFBIXTXXNTGKK-WSDLNYQXSA-N	433.530	2.487	50	40	IEGB	
CCN(CC)c1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	32654867	UJQZZXDDELIDKS-LPGQDOADSA-N	427.526	2.312	50	40	IEGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1)C(=O)N1CCOCC1	408762587	FBRNVTAXDNITTB-FOWTUZBSSA-N	443.437	2.128	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1	409272167	PBXRZAXADYELDP-LJGKHRNASA-N	426.473	2.078	50	40	IEGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cccc(C)n2)c1	12822877	DQWLNIRBPFAQGS-UHFFFAOYSA-N	440.481	2.274	50	40	IEGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	19859270	IQCKQAHXLURQHJ-LJQANCHMSA-N	426.904	2.361	50	40	IEGB	
COCC1=C(C(=O)OC)[C@@]2(C(=O)N(Cc3ccccc3)c3ccccc32)C(C#N)=C(N)O1	8747954	AUNLZHAQHHNVCB-DEOSSOPVSA-N	431.448	2.269	50	40	IEGB	
O=C(/C=C\c1ccc2c(c1)OCO2)NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O	23109264	SBTDXDCKRRHMQH-POHAHGRESA-N	435.411	2.239	50	40	IEGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3)CC2)cc1OC	408971887	LLIBJJYEBCLIPD-PXLXIMEGSA-N	431.514	2.255	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3cccc(Cl)c3)CC2)cc1	30742881	RPDVXDSNQVWTPV-HMAPJEAMSA-N	434.949	2.105	50	40	IEGB	
Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1C	57532061	VPZNODGPYXECGU-INIZCTEOSA-N	443.887	2.314	50	40	IEGB	
O=C(COc1ccccc1I)NNC(=S)NCc1ccccc1	408585030	AWDNZEOWIHNGKX-UHFFFAOYSA-N	441.294	2.366	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1	408970075	ZYVDFPTWIGTQEC-PXLXIMEGSA-N	431.514	2.255	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409150634	CZVGEWIFHMVSMC-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
O=C(CNC(=O)c1ccc(F)cc1F)NNC(=O)Cc1csc(-c2ccc(F)cc2)n1	11668294	QGVFKUAFPPMGBN-UHFFFAOYSA-N	448.426	2.347	50	40	IEGB	
O=C(/C=C/c1ccco1)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	100431920	WSBOJWUKNPDNPT-JYCCKMFLSA-N	428.448	2.476	50	40	IEGB	
OC[C@H](Br)[C@@H](Br)C[C@H](Br)[C@H](Br)CO	101018040	YTBNGPBJPSPRCD-ZTYPAOSTSA-N	447.787	2.415	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1	102675926	RMKHCKRPKDBMAQ-BRYYZUPOSA-N	439.415	2.397	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(C)cc1C	409261433	BTOWGDDLKHHYNK-WYMPLXKRSA-N	438.484	2.058	50	40	IEGB	
Cc1occc1-c1nnc(SCC(=O)NNC(=O)COc2ccc(Cl)cc2)n1C	3445504	YGLSYNHUUXEQMA-UHFFFAOYSA-N	435.893	2.355	50	40	IEGB	
O=C(CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)NCc1cccnc1	58873267	YNUWDJJZTLHRPW-YUMHPJSZSA-N	445.479	2.256	50	40	IEGB	
COc1ccc(N2C[C@H](C(=O)NNC(=O)c3ccccc3Br)CC2=O)cc1	28265526	CTFAKZHYVMECEE-GFCCVEGCSA-N	432.274	2.272	50	40	IEGB	
C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408659570	SVCFXYDXTUBFKQ-PBHICJAKSA-N	443.887	2.254	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(OC)c(OC)c1)S(C)(=O)=O	408790404	RCJBZPSRPZGZLK-PXLXIMEGSA-N	449.529	2.409	50	40	IEGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)c1	409379997	FJHABFYUYIYKTP-XMODTWTHSA-N	449.463	2.053	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C3\CCCc4ccccc43)nnn2-c2nonc2N)c1	13805192	XYLLCNKBIOJEEW-JJIBRWJFSA-N	444.455	2.379	50	40	IEGB	
COc1cc(C(=O)NC(=S)NNC(=O)Cc2ccc(Cl)cc2)cc(OC)c1OC	12137240	KBRQONHWDZSIHC-UHFFFAOYSA-N	437.905	2.244	50	40	IEGB	
Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	138913899	DCLQHHUYMBYQKM-AWEZNQCLSA-N	429.860	2.006	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1	408927125	YEFQVDNOGQAWNV-HADWXUJASA-N	433.486	2.088	50	40	IEGB	
CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437455	VSVRGSHQWPGVGZ-VHSSKADRSA-N	431.537	2.125	50	40	IEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cc(I)ccc1O	8873196	KSEMPBPMPLNEAD-FRKPEAEDSA-N	427.154	2.375	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409027239	BLKHHMFAYFCVMM-DEDYPNTBSA-N	432.458	2.076	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(O)c3)nnn2-c2nonc2N)cc1	1772583	XUFCUPYQGABZKT-FSJBWODESA-N	448.443	2.158	50	40	IEGB	
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)Nc2cc(C)on2)c1	12583390	RQINIDKWJOAWRL-UHFFFAOYSA-N	445.457	2.259	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccc(F)cc3)nnn2-c2nonc2N)c1	13788028	XHNGMDFZSPWYOZ-FOKLQQMPSA-N	436.407	2.201	50	40	IEGB	
O=C(NN/C=C1/C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O)c1ccccc1O	13810451	RGMDBPPRQDYZTR-UKTHLTGXSA-N	445.229	2.396	50	40	IEGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)N/N=C/c1ccco1	1529544832	PHGBQHXNYCYANR-QKXOWGBTSA-N	442.497	2.165	50	40	IEGB	
CSc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccs2)cc1	2446027	FOFLSPPMRJBNRU-DJKKODMXSA-N	426.487	2.447	50	40	IEGB	
O=C(CNC(=O)c1ccc(Br)o1)NNC(=O)CSc1ccc(Cl)cc1	9317525	DSCAQIKNJZJJJX-UHFFFAOYSA-N	446.710	2.365	50	40	IEGB	
Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)c1	408533566	KDQRYYVOSXSADR-SZMVHAFZSA-N	449.467	2.204	50	40	IEGB	
COCc1cc(C)n(CC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)c(=O)c1C#N	409003221	YQELMSHURCKZJN-BRJLIKDPSA-N	432.484	2.128	50	40	IEGB	
N#CCOc1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	408879594	BXVRZTQFSWTNNU-MFKUBSTISA-N	449.492	2.330	50	40	IEGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCC(=O)Nc1ccccc1	409228301	WYGCYOIULVKWMD-QPEQYQDCSA-N	428.832	2.468	50	40	IEGB	
CC(=O)Nc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1	10871761	JQZQREULFDPMCB-UHFFFAOYSA-N	434.246	2.026	50	40	IEGB	
Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1	408658249	QJVXMVDAABZPLL-HNNXBMFYSA-N	443.887	2.314	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)c1O	408786408	JMAXXNYPVCYSQN-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
O=C(N[C@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1)c1cccs1	25529425	YCVWMNHWIZBXAA-HKUYNNGSSA-N	437.477	2.207	50	40	IEGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)N/N=C/c1cc(OC)c(OC)cc1OC	1566097	COBHFOZCUGMGOE-LCHFAGMQSA-N	446.460	2.405	50	40	IEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	59246932	BIKIRQFLEPYHGI-VXLYETTFSA-N	437.250	2.400	50	40	IEGB	
CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)C(=O)N2CCCCC2)CC1	13659001	AZJKOXNARNPDGM-KNTRCKAVSA-N	434.544	2.064	50	40	IEGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1	409010372	DOBJVRMYLBVNMA-HMAPJEAMSA-N	427.461	2.027	50	40	IEGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)c(C)c(C#N)c2=O)cc1	409077253	DOVAMNODIQLAMU-CFRMEGHHSA-N	446.423	2.483	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2cccc(I)c2)cc1OC	840323	LGIZBZNINCHCMU-UHFFFAOYSA-N	426.210	2.383	50	40	IEGB	
COc1cc(/C(C)=N/NC(=O)Cc2csc(N3CCOCC3)n2)cc(OC)c1OC	9540162	DJONYLIJXFYJOF-LPYMAVHISA-N	434.518	2.088	50	40	IEGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2ccccc2)ccc1OCC(=O)N1CCOCC1	16196146	BPADRBALBGXNSZ-QNGOZBTKSA-N	449.507	2.199	50	40	IEGB	
CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)COc1ccccc1Cl	15877983	ASMYDPKRKDGNFO-ZDUSSCGKSA-N	425.894	2.011	50	40	IEGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)c1O	38177450	LZTPJVFHMIYUAO-KEBDBYFISA-N	442.457	2.347	50	40	IEGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1	58881233	RDSJLQUHFMAQKQ-KEBDBYFISA-N	434.246	2.090	50	40	IEGB	
CCCn1nc(C(=O)NNC(=O)c2cc(C)ccc2N2CCCC2=O)c2ccccc2c1=O	78808986	VOHFJOVCACCXNO-UHFFFAOYSA-N	447.495	2.317	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1)c1ccc(C)cc1	9312312	UVGRCPFAPKCDMF-WSDLNYQXSA-N	447.415	2.270	50	40	IEGB	
CCCCCCOc1ccc(C(=O)NNC(=O)Cn2nc3n(c2=O)CCCCC3)cc1	24977023	KEIHWTLRNZSQPN-UHFFFAOYSA-N	429.521	2.192	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1	409256301	NIEWLCOLLWXLSX-ANDSAHIGSA-N	440.500	2.386	50	40	IEGB	
CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1cccn1C	9984910	WEVYCRSHGVAXJT-OAHLLOKOSA-N	447.344	2.096	50	40	IEGB	
CCCCN1C(=O)c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)cc2C1=O	14245974	RERWYCPXKLSGKC-CYBMUJFWSA-N	427.432	2.450	50	40	IEGB	
CCOC(=O)CC(=O)SC1=C(C#N)[C@H](c2ccc(OCC)cc2)[C@@H](C(=O)OC)C(=O)N1	102812735	OPRHCFLVJMVBDC-ZWKOTPCHSA-N	446.481	2.036	50	40	IEGB	
Cc1ccc(C)n1-c1ccc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	12608436	KFOGUNCAYTVSTJ-UHFFFAOYSA-N	427.482	2.489	50	40	IEGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)CCNC(=O)c1ccc(Br)cc1	15934627	PNWGIKDPRADWNQ-UHFFFAOYSA-N	448.317	2.412	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O	27500558	IDNCFSHLNJYMIU-HYARGMPZSA-N	431.514	2.260	50	40	IEGB	
Cn1cnnc1Sc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	3297894	MKYHELVWKNTFOQ-FCASDWRQSA-N	440.441	2.165	50	40	IEGB	
O=C(c1ccccc1)c1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=O)c2ccccc2O)cc1	13739141	OWIBGEIWOHZWNU-UHFFFAOYSA-O	445.480	2.414	50	40	IEGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CC3(C)OCCO3)cc2)cc1	28214502	FKWVNVKHXXMXNR-OEAKJJBVSA-N	427.457	2.316	50	40	IEGB	
Cc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)c2cnn(Cc3cccs3)c2n1	32909573	PWEZILJBPTYOPD-LJQANCHMSA-N	449.492	2.451	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1	1221541	MXNHSAFYBWOOQY-UHFFFAOYSA-N	434.481	2.377	50	40	IEGB	
CCCCCn1nc(C(=O)NNC(=O)CCc2c(C)nn(C)c2C)c2ccccc2c1=O	10328122	DTOCSAIOFIBGSY-UHFFFAOYSA-N	438.532	2.331	50	40	IEGB	
O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(COc2ccccc2)o1	12880993	PBGRRGLOENCQNH-UHFFFAOYSA-N	432.436	2.489	50	40	IEGB	
COC(=O)c1ccc(F)c(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)c1	58007134	CIBIQFSYJSRPST-UHFFFAOYSA-N	440.449	2.031	50	40	IEGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1	101315755	RCEQNWCETVTYQI-SPJZNXQJSA-N	428.841	2.425	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(Br)cc1	408535672	OKMYELKXSMWJMX-NLTBIBMSSA-N	447.220	2.203	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccccc1F	409330808	MVXCNVVYHUXUMW-UHFFFAOYSA-N	432.521	2.360	50	40	IEGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)cc1	24488801	CMFKNXFOKSQRDJ-OAHLLOKOSA-N	425.441	2.017	50	40	IEGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc2c(c1)OCCO2	59516224	GJVYJKFLNKEVJM-DNTJNYDQSA-N	448.229	2.038	50	40	IEGB	
COc1ccc(Cl)cc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1	408648163	VIOXBLWCAASTLH-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2OC)ccc1OCC(=O)N1CCOCC1	409015084	YNMCJSBCLSYIIT-BUVRLJJBSA-N	441.484	2.095	50	40	IEGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c(C)c(C#N)c2=O)cc1	409059301	MHVYELXBQJHHHF-MXAYSNPKSA-N	445.435	2.273	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)c(C)c(C#N)c2=O)cc1	409064025	BCMXDPHPJNECTB-FMCGGJTJSA-N	432.396	2.093	50	40	IEGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	32528784	RPSGJWBTAJEAOB-WICSTZCESA-N	447.245	2.043	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCC(=O)N1CCOCC1	57582665	HOYIVVTZOONPCZ-YDZHTSKRSA-N	431.876	2.350	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1)c1ccc(C#N)cc1	9499022	WYGBKMGDALMQAB-ZMOGYAJESA-N	427.428	2.234	50	40	IEGB	
COc1ccc(/C=C/C(=O)NNC(=O)c2ccccc2)cc1S(=O)(=O)N1CCCCC1	9959938	MNAPIVUJMBOHRB-ACCUITESSA-N	443.525	2.344	50	40	IEGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](c1ccncc1)N1CCOCC1	20057135	BOJCAAPVCILKTL-MNOULKQQSA-N	433.306	2.376	50	40	IEGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC	20207550	IHMWXNOLGVNNMW-CIAFOILYSA-N	449.485	2.065	50	40	IEGB	
O=C(Cn1cnc2ccccc21)NNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1	32845612	MWLMKBPVPFIRDH-UHFFFAOYSA-N	435.871	2.361	50	40	IEGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(C)c(C#N)c2=O)cc1	409067270	OSZXSJPOQPZINV-CFRMEGHHSA-N	446.423	2.483	50	40	IEGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	32528782	RPSGJWBTAJEAOB-YVIPRSKRSA-N	447.245	2.043	50	40	IEGB	
O=C(CN1CCC(COc2ccccn2)CC1)NNC(=O)c1ccc(Br)cc1	72308561	QVAUMBZIKMACJJ-UHFFFAOYSA-N	447.333	2.396	50	40	IEGB	
Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3ccccc3Cl)C(=O)NC2=S)cc1	408755291	JGYKLERHZSZTNR-GGPGUOJZSA-N	444.900	2.193	50	40	IEGB	
COc1ccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1Cl	13656467	IHJJJQDEPJRDBI-MLJKTZRHSA-N	435.889	2.040	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Br)cc2)cc1	16186914	GVERTLALWICUSW-YBFXNURJSA-N	440.319	2.229	50	40	IEGB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1/C=N/NC(=O)c1cc2ccccc2cc1O	19630650	MAICIZHECXIMTQ-ZTBJCTOSSA-N	426.498	2.482	50	40	IEGB	
Cc1oc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1Br	20211916	BLDFOCFZWRWJGW-QGMBQPNBSA-N	432.271	2.406	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1Br	408743075	ZCVHENFMIHTRFR-RNDVCUHJSA-N	445.298	2.229	50	40	IEGB	
COc1cc(/C=N/NC(N)=O)c(Br)cc1OCC(=O)NCCc1ccccc1	2763895	LQFYHKBOFBXWMO-FOKLQQMPSA-N	449.305	2.198	50	40	IEGB	
Cc1ccc(C(=O)NCC(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1C	10676032	YPXQHFXVCGNGRE-CQSZACIVSA-N	425.514	2.291	50	40	IEGB	
CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N/N=C2\C[C@H]3CC[C@]2(C)C3(C)C)c1	21868943	CLSHNNYAXAGWNR-QYOVPMQZSA-N	435.546	2.460	50	40	IEGB	
CN1C(=C(C#N)C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)N(C)c2ccccc21	32788767	PNESOPSIZKSKQR-UHFFFAOYSA-N	437.463	2.473	50	40	IEGB	
Cc1ccccc1N1C(=O)NC(=O)[C@@H](/C=N/NC(=O)c2ccc(Br)cc2)C1=O	408535308	NNKMHRJWHVMYQP-YVJZOELXSA-N	443.257	2.372	50	40	IEGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc([N+](=O)[O-])c1	408960806	JBTGDDZZHCHFKL-YDZHTSKRSA-N	435.440	2.172	50	40	IEGB	
O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N/N=C/c1ccc(F)cc1F	3232598	OZWWUVIAKZJSCP-OEAKJJBVSA-N	437.468	2.069	50	40	IEGB	
CNS(=O)(=O)c1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc(C)c1C	14234417	JAJIKOJRGBLTRU-UHFFFAOYSA-N	441.962	2.418	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)cc1	408922023	OGIMCZRBDWAODE-CNRHGSOZSA-N	435.502	2.104	50	40	IEGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	409001279	OTYCJTMEANSMHF-HUHXJTTESA-N	435.484	2.081	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1S(=O)(=O)N1CCCC1	3362961	MBVOWKFNIBENSK-UHFFFAOYSA-N	437.905	2.208	50	40	IEGB	
Cc1ncc([N+](=O)[O-])n1CC(=O)N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	409203780	YURKPGLNKLFMAS-WNFQYIGGSA-N	425.361	2.346	50	40	IEGB	
C/C(=N\NC(=O)c1c(CN2CCCCC2)nnn1-c1nonc1N)c1cc(C)sc1C	25782523	SWWLJDAODNTOLL-CIAFOILYSA-N	443.537	2.051	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1	409069526	DFQUNEVUGHHZCT-FMCGGJTJSA-N	432.396	2.093	50	40	IEGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1OC	409265446	SQDXJASAFMYVKB-ZMOGYAJESA-N	438.484	2.004	50	40	IEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSCc2ccccc2)c1	13140869	FTHKQYZVTNNRHR-UHFFFAOYSA-N	435.571	2.412	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)cc1OC	20207930	IEWGXCLKGIPTGQ-HYARGMPZSA-N	431.514	2.485	50	40	IEGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1	12728881	KJWJNPPPGSBVCO-INIZCTEOSA-N	438.484	2.109	50	40	IEGB	
C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N/N=C/c1cccc(O)c1	695583	UYVDVOIYTHLIHG-WSDLNYQXSA-N	448.512	2.205	50	40	IEGB	
C[C@H](C(=O)NNC(=O)CCl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148214	WQRYIHPVMZIUMQ-ZCFIWIBFSA-N	444.723	2.325	50	40	IEGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1	20211323	ZJAMLNKONLPFOO-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1	409250560	MXXYGACRPIWXGY-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
COc1ccccc1OCC(=O)NNC(=O)c1cc2cc(Br)ccc2oc1=O	994387	MRXBOXXFMWTGBW-UHFFFAOYSA-N	447.241	2.404	50	40	IEGB	
N#C/C(=C\N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccco1	9419130	DFGGMBBGPIZMJF-NLACRYIHSA-N	442.522	2.078	50	40	IEGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1c(O)ccc2ccccc12	106172049	HXQUPCTZLGFBOB-HAHDFKILSA-N	425.510	2.500	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1OC	409141156	MGRYYHQYBWXGBJ-WSDLNYQXSA-N	433.530	2.448	50	40	IEGB	
O=C(NNC(=O)C1(c2ccc(F)cc2)CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1	12941282	YFUQNEHEZAWCRG-UHFFFAOYSA-N	431.489	2.103	50	40	IEGB	
C/C(=N\NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O)c1ccccc1O	408774777	CUANBNGLTXHEGN-XDHOZWIPSA-N	440.319	2.461	50	40	IEGB	
O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	9509188	GHWCGQDCWKYUGO-UHFFFAOYSA-N	447.488	2.034	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCC(=O)N1CCOCC1	409009796	BZXVCRSAIXOPLT-ZVHZXABRSA-N	441.484	2.014	50	40	IEGB	
CCOC(=O)[C@@H](Br)c1nnc2c(Nc3ccc(OC)cc3)nc3nonc3n12	59390999	QGTGHZLGFZOCJZ-JTQLQIEISA-N	448.237	2.412	50	40	IEGB	
CCOc1ccc(/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC	100958144	BQFJKAAJTOIGDY-KFXAOSDLSA-N	444.509	2.263	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)Nc1ccc(OCC)cc1	408611092	PXMGKOUPSTZMMR-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3cccc(OC)c3O)c(C)c(C#N)c2=O)cc1	409054935	OPPBERIRNNHPSW-MXAYSNPKSA-N	447.451	2.289	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OC)c1	409151772	IANUIOAAVLDILW-AFUMVMLFSA-N	440.500	2.251	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1	9423218	RMKHCKRPKDBMAQ-SLVCOGOPSA-N	439.415	2.397	50	40	IEGB	
CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N/N=C2\C[C@@H]3CC[C@]2(C)C3(C)C)c1	103115284	CLSHNNYAXAGWNR-VFYYUIPBSA-N	435.546	2.460	50	40	IEGB	
N#C/C(=C\c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)NC[C@@H]1CCCO1	408735869	YQZLBRRFWJYXEG-INJWIWPUSA-N	443.197	2.107	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC	8384312	BETRPIKIIBRLDQ-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)c1	9242558	LOLNMPGKHHILHW-LJQANCHMSA-N	447.451	2.176	50	40	IEGB	
COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@H]54)[C@H]23)c1O	245241889	SPEHUXFIJAAOEY-MECVSRFASA-N	431.491	2.339	50	40	IEGB	
COc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(I)c1	903816	DQFGNJARZNBORP-FRKPEAEDSA-N	445.169	2.330	50	40	IEGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)cc1	2390905	LEAMKMFEXVNARO-OBGWFSINSA-N	428.496	2.300	50	40	IEGB	
CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1	2395649	RAPVJGVAEHVHRN-FSJBWODESA-N	432.444	2.371	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCC(=O)N1CCOCC1	409010828	LTFNWXVFOXYOCM-IWIPYMOSSA-N	425.485	2.395	50	40	IEGB	
COCCCN1C(=O)C(C#N)=C(C)/C(=C/Nc2cc(OC)c(OC)cc2C(=O)OC)C1=O	9304815	WGYMJTTXBPHZCX-VBKFSLOCSA-N	443.456	2.032	50	40	IEGB	
CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(CCC(=O)O)cc3)ccc21	13078313	HFPUAKJQIHMMFE-UHFFFAOYSA-N	430.486	2.005	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)ccc1O	408788300	CCTYQNISPBCYQO-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc2c(c1)OCO2)OCc1ccccc1	408991552	QIABBWQTZOGQCK-IZHXIWSZSA-N	435.440	2.126	50	40	IEGB	
CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NNC(=O)c2ccccc2Cl)C1=O	9358627	DRDQAYJSRQNPSJ-ACCUITESSA-N	428.832	2.140	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1Cl	33685778	JUFMBVKTNFMCRP-GRSHGNNSSA-N	440.865	2.028	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	408926520	UJMGCKGDWIQZGY-ZXOFLVKFSA-N	434.474	2.298	50	40	IEGB	
COc1cc(C=NNC(=O)CCN2CCN(c3ccccc3)CC2)cc(OC)c1OC	4116517	MGDNUOJVDAESMD-UHFFFAOYSA-N	426.517	2.375	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)CCC(=O)NCc2ccccc2)cc1Br	9425526	YYDMVLBUTBIBJJ-UHFFFAOYSA-N	434.290	2.315	50	40	IEGB	
CC(C)COc1ccc(C(=O)NNC(=O)CCn2nc(-c3cccs3)oc2=O)cc1	26860499	GDXZLUWKRVCYJB-UHFFFAOYSA-N	430.486	2.451	50	40	IEGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	408780209	VHXISUAXOGSYHA-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2cccc(B(O)O)c2)n1	585293239	DPRYSFPEXFDJFB-QFIPXVFZSA-N	428.305	2.202	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(C(F)(F)F)cc1	12761719	FSMOHVYNGGJDQP-UHFFFAOYSA-N	426.214	2.430	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OCC)cc2)c1	409161079	WAYIJMSEFWISKF-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)NNC(=O)c1ccccc1Cl	408645020	JLXDECJWIHWUDT-UHFFFAOYSA-N	443.765	2.459	50	40	IEGB	
COc1ccc(CC(=O)N/N=C2/C(=O)N(CN(C)C)c3ccc(Br)cc32)cc1	9183493	DDJUEQLZIKGZHM-FCDQGJHFSA-N	445.317	2.386	50	40	IEGB	
COc1ccc(-n2c(C)c(C)n3c4c(=O)n(CCCCl)c(=O)n(C)c4nc23)c(OC)c1	10049106	IOBWVKRCTHYJGP-UHFFFAOYSA-N	445.907	2.402	50	40	IEGB	
CCOc1ccc(N2C[C@H](C(=O)NNC(=O)[C@H](C)Oc3ccc(F)cc3)CC2=O)cc1	15384819	AMJPHGPRVLWYLL-LSDHHAIUSA-N	429.448	2.192	50	40	IEGB	
Cc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(Br)cc3)C2=O)c1	408531915	HNNRWHDUHPIQMN-SBUZPKSBSA-N	443.257	2.372	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl	3340509	CBWSYMQWIXACCI-UHFFFAOYSA-N	446.312	2.327	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc(OC)c1OC(C)=O	408974672	GLFQTECILAIKME-AMAFCZHPSA-N	439.468	2.095	50	40	IEGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c(C)c(C#N)c2=O)cc1	409055658	ADJBGTYWUNMRMH-MXAYSNPKSA-N	429.436	2.437	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	409259399	ZGAFIRGEFVOSMU-REMUQMNCSA-N	444.463	2.217	50	40	IEGB	
CCOc1ccc(C(=O)NN[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC	3375134	PUEZZEHZYMUEGZ-INIZCTEOSA-N	431.876	2.309	50	40	IEGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1	19890641	CITCMGLCGXMOLK-OAQYLSRUSA-N	436.512	2.106	50	40	IEGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H](O)COCc2ccccc2)CC1	28628393	BKUFLSGDQZEVAA-XYUXXQEKSA-N	440.500	2.335	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)Nc1ccc(F)cc1	58880637	VOIYKGPDQZOYFO-ZVHZXABRSA-N	426.448	2.306	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3cc(OC)ccc3OC)c(C)c(C#N)c2=O)cc1	409055706	DFTCNLLLVMJIHA-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
COc1c(OC(C)=O)ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])c1[N+](=O)[O-]	9355251	SNEXRFNKBQPOOV-AWQFTUOYSA-N	446.372	2.274	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1	19953521	ZGASFWAICJJTIQ-HADWXUJASA-N	435.502	2.017	50	40	IEGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1ccc(F)c(Cl)c1	409254282	YRMOJRMGOAFJDB-AUEPDCJTSA-N	432.839	2.225	50	40	IEGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccccc2[N+](=O)[O-])c1	14923569	ROERYBMNWDWUHT-FSJBWODESA-N	443.416	2.071	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)c1	20212126	KEOXATRULUOLDL-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc(I)c1OC	59419112	KWOKNYQLSTZFOY-GDXCHIGESA-N	440.237	2.492	50	40	IEGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1cccc(Cl)c1	408685687	PZIOIZXRLAZUAQ-DKJTXKKOSA-N	428.666	2.393	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1OC	408973866	WBTFSSCXRJGGPB-PXLXIMEGSA-N	431.514	2.255	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1cccc(C)c1	409159307	SMAGVBBYIZJBKI-DHRITJCHSA-N	440.500	2.243	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OCC)c1	409171102	YCEWPSCYNXMCFG-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
COc1ccccc1C(=O)NCC(=O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	1504500	WRDIBPVZEYQOHA-NFFVHWSESA-N	442.475	2.492	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(Cc2ccco2)S(=O)(=O)c2ccccc2)ccc1O	2075825	YLEJSVKDJVLGRL-LPYMAVHISA-N	443.481	2.335	50	40	IEGB	
COc1ccc(-n2c(=O)c(CCC(=O)NNC(=O)c3ccco3)nc3ccccc32)cc1	3350825	VHKIICSPLHQEDT-UHFFFAOYSA-N	432.436	2.381	50	40	IEGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	409017355	FYJHVNFQRDASGN-UCQKPKSFSA-N	443.525	2.175	50	40	IEGB	
CN(CC(=O)N/N=C\c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2ccccc2c1	33600480	GSFHURSYYHVKLI-UUYOSTAYSA-N	425.466	2.339	50	40	IEGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1OS(C)(=O)=O	195525157	HCVLSAYBYNJZIU-RWMBFGLXSA-N	443.602	2.063	50	40	IEGB	
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c(C)c(C#N)c2=O)cc1	409070909	HHVXUIMYIRQASH-CFRMEGHHSA-N	446.423	2.483	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c(O)c1	16678179	NBUHWRHOSBHKQD-WYMPLXKRSA-N	448.487	2.371	50	40	IEGB	
COc1ccccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O	17330561	LRRQHRMEYOKTRE-CYBMUJFWSA-N	432.274	2.272	50	40	IEGB	
COc1cc(OC)cc(C(=O)NNC(=O)CSc2nnc(COc3ccccc3)o2)c1	408638563	RZKHGMDIOZZNQR-UHFFFAOYSA-N	444.469	2.219	50	40	IEGB	
Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408668227	VCELPILZDHRXFQ-OAHLLOKOSA-N	429.860	2.006	50	40	IEGB	
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)N[C@H]1CS(=O)(=O)C[C@@H]1Cl	575422746	OEENEISLQSYNOB-JQWIXIFHSA-N	429.907	2.107	50	40	IEGB	
C/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccc(S(=O)(=O)NCC(=O)O)cc1	13365214	QPIVFOIAOPCEML-IHYLXSPPSA-N	449.554	2.390	50	40	IEGB	
COc1ccc(/C(C)=N/OCC(=O)N/N=C2\C(=O)N(CN3CCCC3)c3ccccc32)cc1	97475379	IQKNKPXUINUNHY-ZUALRNRESA-N	449.511	2.356	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc([N+](=O)[O-])c1O	36611062	KXEOZZXKPAANHG-QGMBQPNBSA-N	437.206	2.160	50	40	IEGB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@@H]2[C@@H]1[C@H](Br)[C@@H]2Br	104279304	IUNOPIYFNMVCFM-LEZGYBIHSA-N	439.107	2.239	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(Br)cc1	16186943	KLDGHGJWCAHKTA-VXLYETTFSA-N	428.283	2.359	50	40	IEGB	
CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)CC(=O)Nc1ccc(F)c(F)c1F	13108383	YYIFJDPJMSIFFP-UHFFFAOYSA-N	428.798	2.089	50	40	IEGB	
COc1cc(C[C@H]2CC(C(=O)N/N=C/c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2	15085909	SPOHQHMFLTVWII-MQEPLNOPSA-N	429.404	2.409	50	40	IEGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)n2c1	408995389	CDXWNUCKKTXBKI-HTHFWCIQSA-N	449.511	2.389	50	40	IEGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2ccc(OC)cc2)nc2c(C)cccn2c1=O	3644120	JALDZEQELWBDHW-DTQAZKPQSA-N	434.452	2.473	50	40	IEGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)s1	9496820	YRXQZBMMCGYZTI-UFFVCSGVSA-N	443.537	2.131	50	40	IEGB	
CC(C)C(=O)NNC(=O)CSc1nnc(CNc2nc(-c3ccccc3)cs2)n1C	13502692	XFOGHJFLNXTAHX-UHFFFAOYSA-N	445.574	2.446	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1OC	16186855	GGOSMTIMHQECTC-RGVLZGJSSA-N	425.894	2.128	50	40	IEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1	408781001	PPXPRJKGQAOMBJ-SRZZPIQSSA-N	437.905	2.490	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1	408783850	NSXIJMTXJAXFAM-PXLXIMEGSA-N	432.546	2.458	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)cc2)cc1	409259556	APRXMUXCJFDJOL-HUSFYUSLSA-N	440.500	2.468	50	40	IEGB	
COc1ccc(CC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1	2210128	CVKYAKBGGJWYTR-SSDVNMTOSA-N	434.290	2.275	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	409270375	FALHGOISALKIBE-CBFMJHRQSA-N	440.500	2.386	50	40	IEGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)CC2(C)OCCO2)cc1	28214515	ANJWGMRZRKZSJI-OEAKJJBVSA-N	427.457	2.316	50	40	IEGB	
COc1ccc(-c2csc(NC(=O)N[C@H]3CS(=O)(=O)C[C@@H]3Cl)n2)cc1OC	575420618	DKCNEUYBXYSIJG-JQWIXIFHSA-N	431.923	2.353	50	40	IEGB	
O=C(/C=C/c1ccccc1)NCC(=O)N/N=C1\C(=O)Nc2ccc(Br)cc21	2276293	GRQWAZGEUWLDFQ-RMKNXTFCSA-N	427.258	2.051	50	40	IEGB	
COc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(I)c1OCC(=O)O	8861255	KNRUNAZAPBMFNL-NYYWCZLTSA-N	444.225	2.195	50	40	IEGB	
CN1C(=O)/C(=N/NC(=O)COc2ccc(I)cc2)c2ccccc21	13476885	NSYCWWYVQAJGBC-CAPFRKAQSA-N	435.221	2.167	50	40	IEGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1ccccc1I	1895030	BXOMMJRFKBDWPM-UHFFFAOYSA-N	437.237	2.471	50	40	IEGB	
CC1=CC[C@@](C(=O)O)(C(=O)NNC=C2C(=O)OC(C)(C)OC2=O)[C@@H](c2ccc(F)cc2)C1	8782924	NAZDLDCIHXDVOG-ZHRRBRCNSA-N	446.431	2.061	50	40	IEGB	
COc1ccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)cc1	28264121	OTAVQSVXJHGXQA-ZDUSSCGKSA-N	432.274	2.272	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1	2630726	ITSSZMLOIDNSBH-UHFFFAOYSA-N	446.312	2.084	50	40	IEGB	
O[C@H]([C@H](Br)CBr)[C@@H](O)[C@@H](Br)CBr	104185226	PDGJYFHAJOJUON-FBXFSONDSA-N	433.760	2.025	50	40	IEGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)c1	408784140	SJCQSIZPDCALBL-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
O=C(N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21)c1ccccc1Br	13756491	LUEGHITVVSZWFC-RELWKKBWSA-N	443.301	2.220	50	40	IEGB	
CCCc1[nH]nc2c1[C@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2	20000276	MDUUDQZVMIPSHC-HXUWFJFHSA-N	439.516	2.300	50	40	IEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1	408760146	SHPQRHWRVATXEU-CCULFSDZSA-N	431.514	2.374	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@@H]4CCCO4)c(=O)c32)cc2c1OCO2	1852715	UAAQQDPYTZXMIW-IFXJQAMLSA-N	437.452	2.291	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1cccnc1	9497751	GKLPZXFDZYWBIY-YDZHTSKRSA-N	449.500	2.382	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC	408777686	GAOAKXLNLFTLMS-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)cc1	409058796	LHCJMLIYSGNNKC-ROTLSHHCSA-N	433.399	2.102	50	40	IEGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)c1	409379995	FJHABFYUYIYKTP-FLFXDLLNSA-N	449.463	2.053	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(F)cc3)nnn2-c2nonc2N)c1	9291853	YSBDYUQQSBBMRM-FOKLQQMPSA-N	436.407	2.201	50	40	IEGB	
CCn1c(=O)c(C(=O)N/N=C(/C)c2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21	101479953	LQOPKRIZYLBLFO-ROTLSHHCSA-N	432.436	2.428	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(C)c(C#N)c2=O)cc1	409074801	RSYHKEOMTXMHIF-FMCGGJTJSA-N	432.396	2.093	50	40	IEGB	
COc1ccc(S(N)(=O)=O)cc1C(=O)NNC(=S)Nc1ccc(Cl)cc1Cl	9508922	CJXKGZGANGSRQL-UHFFFAOYSA-N	449.341	2.281	50	40	IEGB	
CN(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1	16186789	FDPIHORCYMHIRB-DJKKODMXSA-N	428.829	2.158	50	40	IEGB	
COc1cccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)c1	408859230	NIHOGBXPUFVSMV-UHFFFAOYSA-N	444.557	2.397	50	40	IEGB	
CCn1c(NNC(=O)CCCn2cnc3c(C)cccc3c2=O)nc2ccccc2c1=O	11164951	AHTIOQLQVHWORA-UHFFFAOYSA-N	432.484	2.358	50	40	IEGB	
COc1cc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)ccc1O	39986644	YIKSSAJPZQDAQV-XKZIYDEJSA-N	427.482	2.325	50	40	IEGB	
O=C(COc1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1)NCc1ccco1	58873233	MMFKCUGYNDHAMG-DICXZTSXSA-N	448.479	2.131	50	40	IEGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	12988562	WCCCLRJQDYMCBK-UHFFFAOYSA-N	448.504	2.377	50	40	IEGB	
COc1cccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c1O	408991360	QHIXLTZRWZDHAS-CVHZQBDDSA-N	437.456	2.112	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	9233044	HOYRXJSBGXJYHY-RPPGKUMJSA-N	448.401	2.475	50	40	IEGB	
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccc(SC#N)cc1	21010754	OEQYINMQQFRHNV-CQSZACIVSA-N	426.545	2.234	50	40	IEGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408968142	WRKLMGKMWVYCRM-WSDLNYQXSA-N	441.469	2.414	50	40	IEGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccccc2Cl)cc1	2134207	NASLAAINAFPRTE-UHFFFAOYSA-N	438.893	2.027	50	40	IEGB	
CC[C@@H](C)[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437454	VSVRGSHQWPGVGZ-XWIAVFTESA-N	431.537	2.125	50	40	IEGB	
CCOc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1	408862505	KPNVIZLPFFCRCE-UHFFFAOYSA-N	444.557	2.478	50	40	IEGB	
COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(N(C)C)cc2)c(OC)c1	13562715	IXGRZCUXQSTFGU-AFUMVMLFSA-N	441.488	2.229	50	40	IEGB	
Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408657403	JWZHVASBKOIHDN-INIZCTEOSA-N	443.887	2.314	50	40	IEGB	
CN(Cc1c(C(=O)N/N=C/[C@H]2CC=CCC2)nnn1-c1nonc1N)C1CCCCC1	9307579	OUWDEOWXBGEVCU-OFJBCHTGSA-N	427.513	2.069	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F	12878520	KTHDSVRATCPVFN-UHFFFAOYSA-N	426.214	2.430	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)ccc1O	408783667	PVPIYCLBRQWFMT-CIAFOILYSA-N	435.502	2.024	50	40	IEGB	
O=C(COc1ccccc1I)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	408961469	CKYPYJGDUCKITI-IUXPMGMMSA-N	441.181	2.434	50	40	IEGB	
Cc1c(C)c(C)c(S(=O)(=O)NNC(=O)c2csc(N3CCOCC3)n2)c(C)c1C	12922758	VRPBGFVVOOUGII-UHFFFAOYSA-N	438.575	2.145	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	409164521	JRJUIBUCTZAINA-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
C[N+](C)(C)CC(=O)N/N=c1\cc(C(=O)Nc2ccc(N=O)cc2C#N)oc2cc(O)ccc12	18022049	CUVJMSPMNWOASB-UHFFFAOYSA-O	449.447	2.298	50	40	IEGB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(Br)cc3)C2=O)cc1	408530296	DWLDGUIUOSGRQE-SBUZPKSBSA-N	443.257	2.372	50	40	IEGB	
O=C(N/N=C1\C(=O)N(CN2CCCC2)c2ccc(Br)cc21)c1ccccn1	2384718	YPQHRWOUTRPUJD-XLNRJJMWSA-N	428.290	2.378	50	40	IEGB	
CC(C)(C)OC(=O)NNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1	2621787	DZHQRUUXCOLRQU-UHFFFAOYSA-N	449.485	2.428	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc(OC)c1O	22921296	CLNJVWNODMETDF-ZMOGYAJESA-N	446.935	2.331	50	40	IEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1	101123774	RCZOACQSECUPRN-ZHZULCJRSA-N	436.493	2.300	50	40	IEGB	
COc1ccccc1C(=O)NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1	408615070	LMUZHURJCRXXHP-LBPRGKRZSA-N	432.274	2.272	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	408921957	MMUYXLQPWJEBKR-STCDJXRXSA-N	433.486	2.119	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	409266401	WOPJMTIDRMJWKS-LJGKHRNASA-N	426.473	2.078	50	40	IEGB	
C[C@@H](NC(=O)CCC(=O)NNC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1	84099228	RHUNRQDJVTZUQR-CYBMUJFWSA-N	446.301	2.378	50	40	IEGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1	408779303	UVXHXFMEVJOGID-NMUQBYKOSA-N	425.485	2.198	50	40	IEGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1	409161540	VIZNLGQXRCMEHU-HQXWYHRWSA-N	427.457	2.224	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1	409254514	IRUKHHBCEXBFGM-LUILSVGHSA-N	426.473	2.078	50	40	IEGB	
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437452	WQYAIAZIGVLFMK-MSOLQXFVSA-N	431.537	2.125	50	40	IEGB	
COc1cccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)c1	100502909	JSKBMASNOFYNMC-WEMUOSSPSA-N	442.475	2.492	50	40	IEGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCC)cc1	408910772	KSPVJKGCKBONGY-FBTHGLLTSA-N	441.484	2.436	50	40	IEGB	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)cc(OC)c1OC	409144638	LUNCJNQTLQFQFU-SSDVNMTOSA-N	449.529	2.066	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)s1)N/N=C/c1ccncc1	408730865	JQXXXJNVTDPPFA-AWQFTUOYSA-N	445.848	2.440	50	40	IEGB	
CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNc1nc(C)cc(C)n1	22233421	ZVBQJJGYDUZDPX-DPCFLFMUSA-N	435.575	2.249	50	40	IEGB	
O=C(COC(=O)CCC(=O)Nc1ccccc1)NNC(=O)c1ccc(Br)cc1	408661255	FJNVWHDPNPZKFL-UHFFFAOYSA-N	448.273	2.172	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(Cl)c1	409157768	RVIFMWIYKABQHD-FOKLQQMPSA-N	446.891	2.341	50	40	IEGB	
CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)c1	9951461	ZXLADGPFZSNVHW-UHFFFAOYSA-N	439.493	2.249	50	40	IEGB	
Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](C(=O)NNC(=O)Nc4ccccc4)C3)C2=O)cc1	13556498	GBMVNZFGMXCWIS-YLJYHZDGSA-N	449.511	2.192	50	40	IEGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1	28808567	KJMBDCSCYZXGGD-HNNXBMFYSA-N	429.860	2.006	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1	409153753	MMCRISBIOGPXTQ-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1	409172892	GJMNHDBLHFMMDB-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
COc1ccccc1N1C[C@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)CC1=O	3441269	QUNUGRILUFCZQS-CQSZACIVSA-N	432.436	2.433	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	9403663	MQYKWQGGERPTQD-HDBWEKFSSA-N	441.484	2.179	50	40	IEGB	
CC(C)C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	105303823	TYMIIMVBEWBJTR-QUDGDEPSSA-N	437.128	2.264	50	40	IEGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(S(=O)(=O)O)o1	18192116	WKLQULIJRNUJMG-REZTVBANSA-N	431.264	2.435	50	40	IEGB	
COc1cc(OC)cc(C(=O)N[C@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C(C)C)c1	26545684	DHBGGTWLYYZXCZ-IBGZPJMESA-N	445.541	2.470	50	40	IEGB	
CCOc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)COc2ccc(F)cc2)C(C)C)cc1	32997931	UEQBLMKGTZRQPM-HXUWFJFHSA-N	431.464	2.205	50	40	IEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1	409181920	GRFCGNKXJSMOEA-DNTJNYDQSA-N	437.792	2.493	50	40	IEGB	
COc1ccc(-c2n[nH]c(SCC(=O)NNC(=O)COc3ccc(Cl)cc3)n2)cc1	8825104	VGQZLJNDMBLTBK-UHFFFAOYSA-N	447.904	2.452	50	40	IEGB	
CCOc1ccc(N2C[C@H](C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)CC2=O)cc1	9699259	IXZPRTLAMGJZED-MRXNPFEDSA-N	433.468	2.290	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1	12554147	BEMOAGQAPHDJNL-FQEVSTJZSA-N	440.525	2.101	50	40	IEGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)cc(I)c1O	409382811	PASXXHHQAPMKJW-DJKKODMXSA-N	431.274	2.378	50	40	IEGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@H]2COc3ccccc3O2)c2cc(Br)ccc21	100056929	SOLZAYDKZYXSKG-SFAXUQRRSA-N	440.253	2.089	50	40	IEGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1	101315753	RCEQNWCETVTYQI-NCVPNVLXSA-N	428.841	2.425	50	40	IEGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408641726	MIRILTSKCPKSJU-GFCCVEGCSA-N	432.820	2.071	50	40	IEGB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)c1ccccc1	2651416	NURNHYYHHIWGTL-UHFFFAOYSA-N	431.514	2.335	50	40	IEGB	
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)NNC(=O)c1nn(C)c(=O)c2ccccc12	16095094	LIKQVNHBDYNFOL-UHFFFAOYSA-N	442.541	2.471	50	40	IEGB	
COc1ccccc1C(=O)N/N=C1\C(=O)N(CN(C)C)c2ccc(Br)cc21	20215568	QTTBRWXJFJXTFD-FXBPSFAMSA-N	431.290	2.458	50	40	IEGB	
CN1C(=C(C#N)C(=O)CCC(=O)NC2CCN(C(=O)C3CC3)CC2)N(C)c2ccccc21	40151311	RCDSLPPOHOIXKN-UHFFFAOYSA-N	435.528	2.174	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@H]1[C@@H]1[C@@H](OCC)CC(C#N)=C[C@]12C(=O)OCC	100643629	JSGWTFQNBMFHIF-ILNRORGJSA-N	444.484	2.185	50	40	IEGB	
COC(=O)CSC1=C(C#N)[C@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1	2343088	MGNKFTJFQNDWQM-VIFPVBQESA-N	427.276	2.408	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccc3)nnn2-c2nonc2N)c1	9291526	XSIFIODKECOOAU-YDZHTSKRSA-N	432.444	2.452	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	409160298	TXRREDGQGQNUNB-AFUMVMLFSA-N	440.500	2.388	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2ccccn2)cc(Br)c1OCC(=O)N(C)C	2657785	DRMMAYYCZMRBAB-SSDVNMTOSA-N	449.305	2.474	50	40	IEGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	8642902	XDXKWGUQKIWKRR-ODCIPOBUSA-N	440.807	2.380	50	40	IEGB	
COc1cccc(Nc2nnc(SCC(=O)NNC(=O)Cc3c(C)noc3C)s2)c1	21021248	XMTYXWCDJLPJHR-UHFFFAOYSA-N	448.530	2.377	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1	409159234	VKGXJDLGLFGPAQ-ZMOGYAJESA-N	440.500	2.386	50	40	IEGB	
CSCC[C@H](NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NN	2575159	SXEIAYCCOIRYQN-JTQLQIEISA-N	439.403	2.114	50	40	IEGB	
O=C(C[C@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccc(Br)cc1	9576695	ILZCOQGTQNWYFF-CPHRPENTSA-N	439.273	2.125	50	40	IEGB	
CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	33029195	MXDMHVNMTOQAKF-HXUWFJFHSA-N	446.504	2.000	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(Cl)cc1	409157719	WFXGKEBUQFGSLS-FOKLQQMPSA-N	446.891	2.341	50	40	IEGB	
O=C(C[C@@H]1NC(Cc2ccccc2)=NNC1=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	2257294	AUQZICKIXXNOLR-HNNXBMFYSA-N	449.298	2.180	50	40	IEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)N/N=C/c1ccc(N2CCOCC2)s1	3230199	YFQHWBUDXNXJCE-KVVJQUGZSA-N	448.574	2.150	50	40	IEGB	
C=CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1	16187059	LKFCCUAOXDVFCF-HYARGMPZSA-N	447.513	2.039	50	40	IEGB	
CCOc1c(I)cc(/C=C(\C#N)C(=O)N2CCOCC2)cc1OC	408756168	UMTOICQGZCECAS-MDWZMJQESA-N	442.253	2.464	50	40	IEGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1	409379343	WIJBCZCBFGIMOX-PZBISTMVSA-N	433.464	2.152	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	19954991	XMUJHWMUTAFOFJ-XSFVSMFZSA-N	434.474	2.300	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)c1	20209938	MVZBXYALIJEZFO-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
N#C/C(=C/c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1)C(=O)NC[C@H]1CCCO1	89780942	IWMSYKYOPHKIPH-FEXWHWTCSA-N	434.496	2.091	50	40	IEGB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2[C@@H]2[C@@H]1[C@H](Br)[C@@H]2Br	104279313	IUNOPIYFNMVCFM-DHRKEOQWSA-N	439.107	2.239	50	40	IEGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	408776760	QKRJHNYCJNRYPC-PXLXIMEGSA-N	449.529	2.409	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)c1	409184798	HVMYGYRACQUEPE-SRZZPIQSSA-N	449.554	2.106	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)cc1	14201824	ZUJVEFFMKAIILX-IBGZPJMESA-N	433.530	2.076	50	40	IEGB	
COc1c(/C=N\NC(N)=O)c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2	15086073	CLKGOPLZYQHUEU-YSYNTMSLSA-N	444.419	2.310	50	40	IEGB	
CC(C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1	409172472	JFALEUYHCPHUSG-AUEPDCJTSA-N	434.855	2.471	50	40	IEGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409318724	XQMQJUZECBEJKP-HOTGVXAUSA-N	438.889	2.383	50	40	IEGB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccccc1O	8661003	QKCAQTAOTKNNGZ-RVDMUPIBSA-N	431.495	2.428	50	40	IEGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1c[nH]c(=S)n1-c1ccccc1	12702582	UJQZQGTXUJYJEA-UHFFFAOYSA-N	444.542	2.211	50	40	IEGB	
CCCN1CC=C2C(C#N)(C#N)C(N)=C(C#N)[C@H](c3ccc(OCC(N)=O)cc3)[C@]2(C)C1	20459420	JQKBDOZYCJCOTA-JTHBVZDNSA-N	430.512	2.076	50	40	IEGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1C	408657923	KCZHPRUUWJVGSA-MRXNPFEDSA-N	443.887	2.314	50	40	IEGB	
COc1ccc(NCC(=O)NNC(=O)c2cc(OC)c(Br)c(OC)c2)cc1	12763954	UQZIMKPCEGERRP-UHFFFAOYSA-N	438.278	2.348	50	40	IEGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(I)c1OCC(=O)O	59334700	UNCNKSDAMZHMPE-WZUFQYTHSA-N	444.225	2.148	50	40	IEGB	
CCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2cc(Br)ccc21	100192404	SHXSSTSOSGDSEJ-HGSNWSKYSA-N	430.258	2.476	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)[C@@H]2COc3ccccc3O2)nnc1-c1cccs1	10025658	KCBUAJKFQLVWRA-AWEZNQCLSA-N	445.526	2.106	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)ccc1OCCN1CCOCC1	19633687	PMXSHOQEOWVJGQ-BUVRLJJBSA-N	441.484	2.289	50	40	IEGB	
CCc1ccccc1N(CC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1)S(C)(=O)=O	20208879	YCRNAGYIPCMYHX-LPYMAVHISA-N	449.529	2.191	50	40	IEGB	
O=C(NNC(=O)c1cc(Br)c[nH]1)c1ccc(NC(=O)c2ccccn2)cc1	40144393	AAIMWSMKCRQWND-UHFFFAOYSA-N	428.246	2.499	50	40	IEGB	
O=C(NN/C=C1\C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O)c1cccc([N+](=O)[O-])c1	95471592	RJYLIVRLORQTAW-ZROIWOOFSA-N	429.776	2.490	50	40	IEGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1	408652848	DCVCBQYVSVHEAY-MRXNPFEDSA-N	443.887	2.314	50	40	IEGB	
O=C(CCl)Nc1nnc(CCSCCc2nnc(NC(=O)CCl)s2)s1	105622317	ZQTFGHSCPKJENN-UHFFFAOYSA-N	441.391	2.263	50	40	IEGB	
Cc1ccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)cc1	1908886	RUXXZDCMDIUDAN-MHWRWJLKSA-N	427.507	2.363	50	40	IEGB	
Cc1ccccc1-c1nnn(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)n1	16363072	RVTWDHAOFIJNBU-DNTJNYDQSA-N	443.261	2.290	50	40	IEGB	
COc1ccc(CNC(=O)/C(C#N)=C/N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	20403623	ZLZGXXXFRFTXBZ-CAPFRKAQSA-N	434.496	2.265	50	40	IEGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccccc1O	408729795	DCNODVHFVCPJBK-VXLYETTFSA-N	441.429	2.489	50	40	IEGB	
COc1ccc(NC(=O)C(=O)N/N=C(\C)CC(=O)NCc2ccc(Cl)cc2)c(OC)c1	16136782	BBUKFLMTKHRKOV-DHRITJCHSA-N	446.891	2.494	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(O)c(OCC)c2)S(C)(=O)=O)cc1	408908564	WHIOADAMYBERJL-WXUSHSQQSA-N	449.529	2.494	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1	409168046	KXCGPWXPFSVZAS-RPPGKUMJSA-N	448.401	2.475	50	40	IEGB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN	4994720	FDNZGMRODBEPDH-ZWKOTPCHSA-N	431.537	2.125	50	40	IEGB	
CSc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	16321276	ZZGZSSBMMBMSNS-UDWIEESQSA-N	434.543	2.138	50	40	IEGB	
CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccccc1Cl	1413660	OYTZXLASSKYRLT-DZGCQCFKSA-N	447.900	2.413	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc(NC(C)=O)cc1)S(C)(=O)=O	20210481	GMCVIQKPAIBKHZ-HZHRSRAPSA-N	446.529	2.350	50	40	IEGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)C(=O)c1c(C)nn(-c2ccccc2)c1C	40017250	QCKAHYAJALAQMN-UHFFFAOYSA-N	444.495	2.432	50	40	IEGB	
COc1cc(C(=O)NN[C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)cc(OC)c1OC	100118519	FFTLAYGILAOUGB-KRWDZBQOSA-N	449.463	2.432	50	40	IEGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccccc1Cl	408687839	VGPAAGLIMFHLJL-IDNXRVBGSA-N	428.666	2.393	50	40	IEGB	
COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12	629502	WFAPPADBDNFXGS-UHFFFAOYSA-N	439.291	2.037	50	40	IEGB	
O=C(NNC(=O)c1ccco1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	9909070	PAQPWXYZVFSMPH-UHFFFAOYSA-N	425.466	2.496	50	40	IEGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N3CCCCC3)cc2)cc1	58880649	VOLPBRWUZCNBAB-BUVRLJJBSA-N	438.484	2.175	50	40	IEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1	408590863	QUPLMVVFLSHRTL-UDWIEESQSA-N	429.389	2.112	50	40	IEGB	
COc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	408662497	JBHNIKUFWPPXJH-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
COc1ccc(-c2csc(NC(=O)N[C@H]3CS(=O)(=O)C[C@H]3Cl)n2)cc1OC	575420619	DKCNEUYBXYSIJG-PWSUYJOCSA-N	431.923	2.353	50	40	IEGB	
CC(=O)OCCN1C(=O)C(C#N)=C(C)/C(=C/c2c(C)nn(-c3ccc(C)cc3)c2O)C1=O	3086469	CABGIOHXKOUHED-WQRHYEAKSA-N	434.452	2.350	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1	8768391	BXDDLNCFBWKVHQ-QGZVFWFLSA-N	426.425	2.217	50	40	IEGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)c1	20211148	ISURYOHPENHDIM-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccccc1	33561237	DCVIZOQZKWLSSW-LPYMAVHISA-N	446.301	2.451	50	40	IEGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1n[nH]c(Cc2ccccc2)n1	408637639	MEZPHKUIJZHSFJ-UHFFFAOYSA-N	431.905	2.367	50	40	IEGB	
C=CCc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])cc(OC)c1OCC(=O)O	408852247	FIOCNAFJLWWCDU-JJFYIABZSA-N	443.412	2.324	50	40	IEGB	
O=C(NNC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1)c1cccnc1	9586487	HQHOVKHKSNVMEB-UHFFFAOYSA-N	432.408	2.235	50	40	IEGB	
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)NNC(=O)c2ccccc2O)c1	16238383	WSLUBKUUMNCYDW-UHFFFAOYSA-N	436.559	2.363	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)ccc1O	16688777	QITJAVQZWXKZOQ-RGVLZGJSSA-N	425.894	2.361	50	40	IEGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1	27563638	PNZKZAAQLJWRMX-LFIBNONCSA-N	445.431	2.106	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1	408912238	PNMRWQUQFFKRGJ-WXUSHSQQSA-N	447.513	2.177	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1	409256302	NIEWLCOLLWXLSX-CBFMJHRQSA-N	440.500	2.386	50	40	IEGB	
CCCc1c(C(=O)N/N=C(\C)c2ccc(Br)s2)nnn1-c1nonc1N	13805372	WSXYDJQBZSECDC-REZTVBANSA-N	439.299	2.163	50	40	IEGB	
CC(C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409159369	ZTJFUTBRGNGSFA-WYMPLXKRSA-N	430.892	2.010	50	40	IEGB	
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1Br	9376470	OEFMLPOITGCCQO-SFHVURJKSA-N	443.301	2.439	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccccc2SC(F)F)cc1	12735668	WQKASUCSRYKEGS-UHFFFAOYSA-N	443.497	2.391	50	40	IEGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)c(C)nc2c1	58872778	UKMHZDIWOGRDPY-VEDIRDOVSA-N	449.511	2.389	50	40	IEGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccncc2)Cc2ccccc2)cc1	59443944	PSHJYCWHVKOBRY-BUVRLJJBSA-N	438.509	2.431	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OCC)c1	409157470	JGHGYZBRXNXIEE-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
O=C(CCCCC(=O)NNC(=O)CCc1ccccc1)NNC(=O)CCc1ccccc1	8404165	BSGDZVCGFNFFTH-UHFFFAOYSA-N	438.528	2.107	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	19954869	HYMCHXKWTMNBKM-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
CCOC(=O)CN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	101658160	BLXGRFSJBBYUOT-FCDQGJHFSA-N	444.285	2.422	50	40	IEGB	
COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]2[C@H]2C[C@H]3[C@@H]3C(=O)OC(=O)[C@@H]23)c1O	245241890	SPEHUXFIJAAOEY-VGNDUUCZSA-N	431.491	2.339	50	40	IEGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)C2CCCCC2)cc1	9307163	MFLPABPEUBIPNI-FSJBWODESA-N	437.508	2.069	50	40	IEGB	
Cc1nc(COc2cccc(C(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c2)cs1	12984590	GPNSBJRZOITQOA-UHFFFAOYSA-N	435.465	2.342	50	40	IEGB	
CN1C(=O)/C(=N\NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	2288412	XCJLXWRKAGOSMJ-NFFVHWSESA-N	426.476	2.432	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C)cc3)nnn2-c2nonc2N)cc1	2391393	VTWQKOGZLPRKIC-FSJBWODESA-N	432.444	2.371	50	40	IEGB	
Cc1cccc(N2N=C(C(=O)NNC(=O)c3cncn3-c3ccc(F)cc3)CCC2=O)c1	9545506	WJSZEQYPSNOSLW-UHFFFAOYSA-N	434.431	2.264	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2csc(-c3ccccc3)n2)cc1	15709766	BCVSWEWHVQNJNU-UHFFFAOYSA-N	444.538	2.200	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(N3C[C@H](C)O[C@H](C)C3)nc12	17918853	HGEOJHVNUZESCT-XRQCXYOOSA-N	447.495	2.433	50	40	IEGB	
COc1ccc(CNC(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)cc1	24990507	AULIGJVCBBAXIB-UHFFFAOYSA-N	435.484	2.276	50	40	IEGB	
O=C(N[C@H](C(=O)NNC(=O)[C@H]1COc2ccccc2O1)c1ccccc1)c1cccs1	25529435	YCVWMNHWIZBXAA-MJGOQNOKSA-N	437.477	2.207	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1	409150672	CVWDIZTXWFVDNO-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
COc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)COc2ccc(Cl)cc2)c(OC)c1	9587279	XSQPVZTYCIJUOV-ONNFQVAWSA-N	448.859	2.140	50	40	IEGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1)C(=O)N1CCOCC1	408762439	KSDPIRIURBGYLP-LFIBNONCSA-N	443.437	2.128	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc(OC)c1OC	408908194	VALQEQMEZORJMI-WSDLNYQXSA-N	449.529	2.246	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C)c1	409162487	FJAKNCVGGOZWLQ-ZMOGYAJESA-N	440.500	2.386	50	40	IEGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1	58873691	XTFAMQVSNOIADM-OXVLKEGXSA-N	448.479	2.302	50	40	IEGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408922872	HEOSKFCBRWFEJK-AWQFTUOYSA-N	440.865	2.077	50	40	IEGB	
CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c1	408645079	JSKJTSGTSGELID-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1O	408969378	MWJVSQRINZSQTB-PXLXIMEGSA-N	431.514	2.342	50	40	IEGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CN2CCOCC2)cc1OCC	19855248	MYHFVRGNOKCUPJ-UDWIEESQSA-N	426.311	2.195	50	40	IEGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NC(C)C)cc1	58872957	NOCZNVWZOULCKK-QRVIBDJDSA-N	426.473	2.078	50	40	IEGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	408645951	VFRJAVREDPBWIG-LLVKDONJSA-N	432.820	2.071	50	40	IEGB	
CCOc1cc([C@H]2C(C#N)=C(N)O[C@@H]3CCCC(=O)[C@@H]23)ccc1OCCN1CCOCC1	20130941	HOBDXMMBUUQKFW-AKIFATBCSA-N	441.528	2.342	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc(Br)ccc2O)cc1	16309144	YFPKTGSXQZCHEY-VXLYETTFSA-N	440.319	2.234	50	40	IEGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)CNC(=O)c2ccccc2)cc1OC	408820575	YTNUIPORQCPUHM-FSJBWODESA-N	444.285	2.350	50	40	IEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc(I)c1	409010622	CPJYDJKFEQGKGD-WOJGMQOQSA-N	425.226	2.485	50	40	IEGB	
COCCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O	2618468	JRGMMCHOPPKIOZ-UHFFFAOYSA-N	446.916	2.250	50	40	IEGB	
CCOc1ccc(N2C(=O)/C(=C/NNC(=O)c3ccccc3O)C(O)=NC2=S)cc1	8837743	IHCAEYTUNRZHDC-RVDMUPIBSA-N	426.454	2.197	50	40	IEGB	
COc1cc(/C=N/NC(=O)Cn2nc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccccc1	9191866	GCHSRMQQFKRWMO-WSDLNYQXSA-N	437.412	2.478	50	40	IEGB	
O=C(NNc1nc2c(F)cccc2s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	11758006	BAJKNJWHRRHWBG-UHFFFAOYSA-N	436.490	2.213	50	40	IEGB	
N#CCOc1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	20213549	TZPDLTXLJVRGHO-PCLIKHOPSA-N	449.492	2.330	50	40	IEGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc2)cc1	58873374	JJZHOHKHNQMFEQ-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)cc1OC)S(C)(=O)=O	408787112	RQUJLNDHVXMZNI-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1[N+](=O)[O-]	28215726	JQLOQKGLZFQBHJ-QVHMZZSFSA-N	440.456	2.341	50	40	IEGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1	408754208	FIBRHVRADULFBD-FOWTUZBSSA-N	443.437	2.128	50	40	IEGB	
COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC	408974128	XMLIVIBNZVWQPX-OEAKJJBVSA-N	449.504	2.394	50	40	IEGB	
C=CCOc1ccc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	10524157	FTKQWLGUNWSHOP-LFYBBSHMSA-N	425.397	2.177	50	40	IEGB	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)c([N+](=O)[O-])c1	9097100	DSRUZQXAXJIVRE-RCCKNPSSSA-N	446.485	2.078	50	40	IEGB	
Cc1cc(C)c(C)c(S(=O)(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)c1C	12985582	HQMWCJWFABTZHH-UHFFFAOYSA-N	438.575	2.145	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1[N+](=O)[O-]	20208294	NHICJKAPXSNOJN-RGVLZGJSSA-N	434.474	2.137	50	40	IEGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)c1ccccc1	59959959	CGXJSOISIXLKHC-OAKZWBAKSA-N	436.512	2.405	50	40	IEGB	
COCCNc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1[N+](=O)[O-]	15758594	NAHYJBQLWLYJIX-OAHLLOKOSA-N	430.461	2.498	50	40	IEGB	
Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1	408656674	NZBFGXXUTCUSJF-MRXNPFEDSA-N	443.887	2.314	50	40	IEGB	
Cc1ccc(-n2nc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c(C)c(C#N)c2=O)cc1C	409062169	OXFHHATZBRKLHU-ROTLSHHCSA-N	429.436	2.492	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(=O)N1CCCC1	409199661	INNLQRJKDSNNIY-TVNWYLLRSA-N	427.501	2.289	50	40	IEGB	
Cn1cc(Br)c(C(=O)NNC(=O)c2ccc(CSc3ncccn3)cc2)n1	888127	NNEFERSEJRCTKO-UHFFFAOYSA-N	447.318	2.340	50	40	IEGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	28213965	OJEQJNKQJSROOB-HMHIXTCJSA-N	425.485	2.198	50	40	IEGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408973255	XXLJIPBAXGRCQA-WSDLNYQXSA-N	433.461	2.105	50	40	IEGB	
O=C(COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)NNC(=O)c1ccccc1	9702463	OGHXSSRBKIGUIX-UHFFFAOYSA-N	449.463	2.233	50	40	IEGB	
C#CCNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)c1	12698895	KRXULCFAVACHIU-UHFFFAOYSA-N	445.566	2.393	50	40	IEGB	
O=C(CNC(=O)c1cccc(Cl)c1)NNC(=O)COc1cccc(Br)c1	13138138	FQJYNAODXYFIFW-UHFFFAOYSA-N	440.681	2.059	50	40	IEGB	
CCN(CC(=O)NNC(=O)c1cc(Cl)ccc1OC)C[C@@H]1COc2ccccc2O1	31174635	BYHIXNRYEVUIHD-OAHLLOKOSA-N	433.892	2.272	50	40	IEGB	
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	36075003	IZCVDDQIQUHCAF-ODCIPOBUSA-N	427.442	2.101	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC2CC2)cc1Cl	409262104	FEAUULKVZRMDIE-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
CCOC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O	2200858	OGPPUEMNFNWOOR-FBMGVBCBSA-N	429.480	2.491	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1	3664431	YODBGFDKAMRKGA-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1cc(C[C@H]2CC(C(=O)N/N=C/c3ccccc3F)=NO2)c(OC)c2c1OCO2	15085906	YGAITDXMDQEFJT-WUJFOHIQSA-N	429.404	2.409	50	40	IEGB	
CC1(C)CC(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2O)CC(C)(C)N1	59488446	ZOZSHHWZHSVUJT-KEBDBYFISA-N	425.327	2.030	50	40	IEGB	
O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NNC(=O)c1ccncc1	1209841	DYFTUYGLEOOKPK-RVDMUPIBSA-N	430.486	2.273	50	40	IEGB	
Cn1nc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c2ccccc2c1=O	3423249	KEWKRHRQDCAOFA-UHFFFAOYSA-N	428.448	2.441	50	40	IEGB	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccc(O)cc2O)sc2c1CCC2	9108956	MCYYLYXLSKSHGL-LSHDLFTRSA-N	431.470	2.304	50	40	IEGB	
COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	15188104	GRHWYFJMHFLWHE-UHFFFAOYSA-N	435.502	2.420	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	20210585	VHNXAFDVSPCQQJ-PXLXIMEGSA-N	447.513	2.163	50	40	IEGB	
O=C(CCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1)N/N=C\c1cccc([N+](=O)[O-])c1	31670067	SQNZMWWARSPCIZ-AYRZQKSOSA-N	426.389	2.274	50	40	IEGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1OC	33617768	XTEFZDHCSCJHEY-WEPUMBSASA-N	441.484	2.142	50	40	IEGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1)c1ccccc1	58873688	XTFAMQVSNOIADM-HSOLMKNUSA-N	448.479	2.302	50	40	IEGB	
Cc1cccc(C)c1NC(=O)/C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=N/NC(N)=O	104298043	SJFCPSVOSGTHBQ-PCLIKHOPSA-N	437.416	2.066	50	40	IEGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1OC	409145115	MIJTULUKVMWMTO-AWQFTUOYSA-N	446.312	2.439	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OCC)cc1	409156695	GRZNOVGLGJSHHT-MFKUBSTISA-N	440.500	2.469	50	40	IEGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1	20356397	OZLWEVNRDDFAOK-OAQYLSRUSA-N	436.512	2.106	50	40	IEGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC3CC3)c2)cc1Cl	409263258	BJZBGIIBUHTXGB-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1	9307375	VJQMBNCLIDCHFH-FSJBWODESA-N	432.444	2.234	50	40	IEGB	
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	10105112	XGROVNUKLSYRAN-INIZCTEOSA-N	438.509	2.125	50	40	IEGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)c1ccc(F)cc1	12919144	NGSIHMWSPIAZRW-UHFFFAOYSA-N	427.457	2.379	50	40	IEGB	
O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1)c1cccc(-n2cccc2)c1	409246114	FCXAWYLTFFHQCA-UQQQWYQISA-N	432.480	2.479	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccc(Br)cc1)S(=O)(=O)c1ccc(F)cc1	16186912	YAXPDZWORVEGQA-VXLYETTFSA-N	428.283	2.359	50	40	IEGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Br)cc1	58881215	UKPZAMGWDOVCMD-KEBDBYFISA-N	434.246	2.090	50	40	IEGB	
COc1ccccc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl	408660545	AKRHEUGJZSKHIN-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2cccnc2)cc1)Nc1ccc(F)cc1	58873924	MCALNRQEEZYJKS-MZJWZYIUSA-N	449.442	2.005	50	40	IEGB	
CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1	9506896	BWXSBAZIOOCVIO-UHFFFAOYSA-N	444.538	2.427	50	40	IEGB	
Cc1cc(NC(=O)CN2CCC(N(NC(=O)OC(C)C)C(=O)OC(C)C)CC2)no1	13568266	UOCBJWKLYVCWHU-UHFFFAOYSA-N	425.486	2.283	50	40	IEGB	
Cc1cccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)c1	20207698	SFUAMUROUWEIHC-SRZZPIQSSA-N	433.555	2.406	50	40	IEGB	
O=C(N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O)c1cc([N+](=O)[O-])ccc1O	409043533	RPFIGHANPSXHOU-OMCISZLKSA-N	425.151	2.441	50	40	IEGB	
O=C(CNC(=O)c1ccccc1O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	8922295	CMOLKZYKADSAGP-NFFVHWSESA-N	442.475	2.232	50	40	IEGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1F	9283498	KQXUSZMLPQUICI-LLVKDONJSA-N	436.237	2.454	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1	19861390	PMBWZHJFVPJYQC-ZVHZXABRSA-N	428.920	2.395	50	40	IEGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1ccccc1)c1ccco1	28622602	ZIYXCIMWCPRZBZ-IBGZPJMESA-N	436.537	2.359	50	40	IEGB	
O=C(NN[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cc(Br)ccc1O	100572071	FWWXOPHVACNVBB-CYBMUJFWSA-N	438.665	2.375	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cccc(C)c1C	409158605	XRXXWHOZRUUBOP-WYMPLXKRSA-N	440.500	2.304	50	40	IEGB	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	9509676	JHURAMCKILZORK-UHFFFAOYSA-N	440.525	2.346	50	40	IEGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NC(C)C)c2)cc1	409154220	NAPCIRCPNSUEBI-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
CCn1nc(C(=O)NNS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2c1=O	2618800	DQJXBSTTXMVBQI-UHFFFAOYSA-N	441.296	2.347	50	40	IEGB	
CCOC(=O)C(Cc1cc([N+](=O)[O-])ccc1CBr)(NC(C)=O)C(=O)OCC	71621666	VCCPQPAZFRNSGX-UHFFFAOYSA-N	445.266	2.033	50	40	IEGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	408771224	DRGJQZTUTIQTHA-KGENOOAVSA-N	435.502	2.019	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	408779029	PEBYFVVSXBPFMD-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1	409150178	ATBHFDKNPIMIQR-WYMPLXKRSA-N	444.875	2.118	50	40	IEGB	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cn(Cc3ccccc3)c3ccccc13)C(C#N)=C(N)O2	1299428	SQIFBRRTLRJDHX-FQEVSTJZSA-N	439.475	2.305	50	40	IEGB	
O=C(NNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)c1ccc(Cl)cc1	14201091	HXQAYWNKTZMCRY-INIZCTEOSA-N	425.869	2.093	50	40	IEGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCO2	26689512	UJTNSSRPYSFHIN-IBGZPJMESA-N	431.448	2.218	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)ccc1OCC(N)=O	58871359	GLAIEGANPQDADS-ZVBGSRNCSA-N	436.262	2.181	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1cccc(F)c1	409112592	FCAIEYQIXJZXRE-UFFVCSGVSA-N	437.518	2.236	50	40	IEGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)NCc1ccccc1	409161867	ZSZXUCZIYYFITL-OGLMXYFKSA-N	444.491	2.148	50	40	IEGB	
COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)cc(OC)c1OC	5956854	SERDXPHPXCGFFY-RHSNALOTSA-N	431.445	2.101	50	40	IEGB	
O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1ccc(C(=O)c2ccccc2)cc1)c1cccnc1	13739258	KCAUQVXILGURPS-UHFFFAOYSA-O	430.469	2.103	50	40	IEGB	
CCC/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCC1)c1ccccc1	15162653	YKTMBGZFOFXFRP-KQWNVCNZSA-N	437.508	2.153	50	40	IEGB	
Cc1ccc(Cl)cc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O	20212791	ZOWAPRNDGVJNAS-SRZZPIQSSA-N	437.905	2.336	50	40	IEGB	
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408659574	SVCFXYDXTUBFKQ-YOEHRIQHSA-N	443.887	2.254	50	40	IEGB	
N#C/C(=C\c1cc(I)c(O)c([N+](=O)[O-])c1)C(=O)NC[C@H]1CCCO1	408735872	YQZLBRRFWJYXEG-LLMHMKPQSA-N	443.197	2.107	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OC)c1	409150441	BXGXERCWJSSUTB-AFUMVMLFSA-N	438.484	2.027	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OC)c1	409167665	JGEXWFZLKYGGFZ-DHRITJCHSA-N	438.484	2.082	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@@H]1[C@@H](OCC)CC(C#N)=C[C@]12C(=O)OCC	245239502	JSGWTFQNBMFHIF-LOJKRVSXSA-N	444.484	2.185	50	40	IEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408854501	GVSQKWCDOXMVDH-YFEUJDIGSA-N	426.838	2.145	50	40	IEGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(C)(=O)=O	408867069	JCLXBDQUHXLGNR-PXLXIMEGSA-N	447.513	2.081	50	40	IEGB	
CCOC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)NC(=O)COc2ccccc2)cc1OC	9305845	KYFTWCFHMJGFRC-LUILSVGHSA-N	443.456	2.264	50	40	IEGB	
O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)COc1ccc([N+](=O)[O-])cc1	12137219	MFALEKBPMZHOMG-UHFFFAOYSA-N	443.456	2.467	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1OC	19954183	GSAXVDFROCEASK-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
O=C(NNC(=S)NCc1ccco1)c1ccccc1NS(=O)(=O)c1cccs1	2616723	BNZULVQQDURZRC-UHFFFAOYSA-N	436.540	2.451	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	9630665	WBVOKTOGWBENQV-WWKSWAJHSA-N	429.473	2.375	50	40	IEGB	
CC(C)n1nc(C(=O)NNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c2ccccc2c1=O	14222479	ZDNVSHXRIKDRNF-MRXNPFEDSA-N	447.495	2.330	50	40	IEGB	
Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408668225	VCELPILZDHRXFQ-HNNXBMFYSA-N	429.860	2.006	50	40	IEGB	
Cc1ccc(N2C(=O)[C@@H](/C=N\NC(=O)COc3ccc(Cl)cc3)C(=O)NC2=S)cc1	408762845	MPTNMIXLXLEQOI-HNJRTNGCSA-N	444.900	2.193	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(OC)cc3)nnn2-c2nonc2N)cc1	2391680	NKWPBRYGMGISJO-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
Nc1cc2ncnn2c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)n1	8695407	CLOXJEWROPOQMG-DQQUVFQASA-N	432.307	2.337	50	40	IEGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)c3cccs3)cc2)cc1	8935348	CXWBITJNAPGNSR-UHFFFAOYSA-N	434.477	2.243	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	20210847	UZTNETAVZBXEKZ-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(C)(=O)=O	408907436	NYYYCQIDKPPCGD-SRZZPIQSSA-N	449.554	2.106	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1OC	409118353	PFRRZKAKZTZRFQ-LPYMAVHISA-N	435.477	2.315	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1	4544285	HBPNSLFOVXXYPR-JHXRPTDYSA-N	425.485	2.315	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1cc(=O)n2nc(CC)sc2n1	20331905	OSYQFHHWESEMJB-NTUHNPAUSA-N	425.470	2.083	50	40	IEGB	
COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1	408968969	DUBWLAWEKRJXKR-PXLXIMEGSA-N	431.514	2.255	50	40	IEGB	
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)N(C)c5ccccc54)c(=O)c23)C1	719449	GTPBXEKUVASRPZ-QQXIEXKDSA-N	435.509	2.080	50	40	IEGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1	58885111	KRRPPMNJKFUXOI-CNHKJKLMSA-N	435.190	2.175	50	40	IEGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	72336393	PTJPWELXLPMEHL-BXZQRUEPSA-N	430.258	2.158	50	40	IEGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	58884440	MOKXJCWSEKDEAS-CFRMEGHHSA-N	428.876	2.500	50	40	IEGB	
COc1c(Cl)cc(C(=O)N2CCN(S(=O)(=O)CBr)CC2)cc1Cl	95464984	OJRBNAHNBVGIQH-UHFFFAOYSA-N	446.150	2.442	50	40	IEGB	
COC[C@H](C)n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2ccccc2c1=O	2625874	XGJCQLOCUYTHCH-ZDUSSCGKSA-N	444.488	2.296	50	40	IEGB	
CC(=O)Nc1cccc(N/C=C2\C(=O)N(CCCN3CCCC3=O)C(=O)C(C#N)=C2C)c1	9423960	VZRBLDKZGWALQO-ZHZULCJRSA-N	435.484	2.162	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NNC(=O)c2cn(C)c3ccccc23)cc1	12554145	BEMOAGQAPHDJNL-HXUWFJFHSA-N	440.525	2.101	50	40	IEGB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3ccncc3)C2=O)cc1	17373728	KZWBZMZZNMTOTN-FOWTUZBSSA-N	426.523	2.443	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1	17111075	QKOSWEZPEOVXPN-FQEVSTJZSA-N	445.541	2.073	50	40	IEGB	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(S(=O)(=O)N2CCOCC2)c1	2625033	BTIKYGJXNRFYIJ-UHFFFAOYSA-N	429.420	2.483	50	40	IEGB	
Cc1nn(-c2cncc(Cl)n2)c(C)c1CC(=O)NNC(=O)c1cccc(N(C)C)c1	95432517	HXKRIGCOPANDJO-UHFFFAOYSA-N	427.896	2.002	50	40	IEGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1	2216936	APIPMANLXNWRGZ-ABPVARSCSA-N	428.466	2.334	50	40	IEGB	
CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](C(=O)O)C(C)C	6077009	AVODXODZUNFBMI-QZTJIDSGSA-N	446.375	2.243	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)cc1OC	20211427	ATPOHYGPJUXZQB-UFFVCSGVSA-N	443.884	2.413	50	40	IEGB	
COc1ccc(Br)cc1/C=C/C(=O)NC(=S)NNC(=O)c1ccncc1	32118563	PNKDPBJKYLAMNS-GORDUTHDSA-N	435.303	2.202	50	40	IEGB	
CCOc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1	408648381	XTZDNSQOFOMGIJ-UHFFFAOYSA-N	427.457	2.199	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)cc1OC	408773238	UHUQFTPOWGRAPX-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(Br)c(N2CCOCC2)o1	408858900	RIAUPPNQTMKYSO-JAIQZWGSSA-N	438.278	2.416	50	40	IEGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c(=O)c1C#N	409212656	RHZZNLCKEILYRI-OPEKNORGSA-N	448.435	2.283	50	40	IEGB	
CCc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(C)(=O)=O	20208818	CTKCDVRXFUWRPY-PXLXIMEGSA-N	431.514	2.327	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2cccc(OC)c2)ccc1OCC(=O)N1CCOCC1	409013523	NPOJMIGMNUNKRQ-BUVRLJJBSA-N	441.484	2.095	50	40	IEGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1	409388259	TVXOUHPAMCPPRO-FLFXDLLNSA-N	449.463	2.053	50	40	IEGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc2ccccc2c1	16098487	DVPVTAFUXFZASG-UHFFFAOYSA-N	432.527	2.065	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1Cl	16187513	DHZHAPPDVQLENW-GRSHGNNSSA-N	440.865	2.028	50	40	IEGB	
N#Cc1c(/C=C/c2ccc(Cl)cc2)c(C(=O)NN)nn(-c2ccc([N+](=O)[O-])cc2)c1=O	16400211	YZBZZEWGVATXBG-XCVCLJGOSA-N	436.815	2.440	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(C)ccc1C	409271959	WSWGVIWWHZKYPZ-WYMPLXKRSA-N	438.484	2.058	50	40	IEGB	
CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccnc1	2377954	DLHOTEXBXIERNA-LJQANCHMSA-N	445.479	2.304	50	40	IEGB	
O=C(N[C@@H](C(=O)N/N=C\c1ccc(O)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	58985672	PEMVRHOBWFSSQI-LPGPRXSPSA-N	441.447	2.250	50	40	IEGB	
COc1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)c1	408643527	AKLUBUQEIMYJPZ-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
O=C(NNC(=O)c1cc2ccccc2oc1=O)c1cccc(I)c1	1064033	UNXMSLXGAHOHDJ-UHFFFAOYSA-N	434.189	2.472	50	40	IEGB	
C=CCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O	2618981	BRBYNZZHGWEKTP-UHFFFAOYSA-N	439.453	2.044	50	40	IEGB	
CC(C)C[C@@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	8691662	TYMIIMVBEWBJTR-OJUMWBOWSA-N	437.128	2.264	50	40	IEGB	
CC(C)c1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1	20209211	RAVHSPGBEBJERJ-LPYMAVHISA-N	431.514	2.498	50	40	IEGB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccccc3)o2)cc1	408636951	DJQKPGKTCQARSG-UHFFFAOYSA-N	441.469	2.014	50	40	IEGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869233	RMUQCMUTARQLOH-BTZNOAQDSA-N	435.889	2.372	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)c(OC)c1	409158266	QYTVOLAXBDMXNT-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
CCN1C(=O)C(=C(C)NNC(=O)CSc2ccc(Cl)cc2)C(=O)N(CC)C1=S	9164965	HYLSBKWXKFIIEG-UHFFFAOYSA-N	440.978	2.322	50	40	IEGB	
C[C@@]1(C(=O)NNC(=O)[C@]2(C)CC2(Br)Br)C[C@H]1Br	12384405	DIAHWIUTKFYPQO-CGMLFGJQSA-N	432.938	2.203	50	40	IEGB	
CCCOc1ccc(N2C(=O)C[C@@H](NNC(=O)c3cncc(Br)c3)C2=O)cc1	100129704	FBLJYXNRTZYXLS-MRXNPFEDSA-N	447.289	2.199	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409258825	WBOLTUIHEAKDFV-WYMPLXKRSA-N	438.484	2.058	50	40	IEGB	
C[C@@H](C(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)n1cnc2ccccc2c1=O	949531	AMZXPVHOGXSSHM-JTQLQIEISA-N	440.257	2.193	50	40	IEGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(S(=O)(=O)O)o1	1812551	CEPIRCRXNLBUJM-OMCISZLKSA-N	437.655	2.471	50	40	IEGB	
COc1ccccc1/C=N/NC(=O)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1	1920543	YBFIGLQDNRMNAJ-RGVLZGJSSA-N	440.441	2.400	50	40	IEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)s1)c1cccc(S(=O)(=O)N2CCCC2)c1	13097361	QVHDQGYADUDMTN-RCCKNPSSSA-N	448.570	2.133	50	40	IEGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)c1	14233650	OGYDPKIYVXMPBP-CQSZACIVSA-N	429.498	2.240	50	40	IEGB	
NC(=O)COc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	408758720	PSVOWQSNRRGAAN-LGJNPRDNSA-N	428.448	2.169	50	40	IEGB	
CCCOc1ccc(N2C(=O)C[C@H](NNC(=O)c3cncc(Br)c3)C2=O)cc1	2225319	FBLJYXNRTZYXLS-INIZCTEOSA-N	447.289	2.199	50	40	IEGB	
N#CCC(=O)N/N=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@H]1c1nc2ccccc2o1	104277649	WSXRGMYFBVJKDE-MQISTKKBSA-N	449.810	2.093	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccccn3)cc2)cc1	9442904	PKRLVTAPVJOHEZ-UHFFFAOYSA-N	438.509	2.286	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)NN=C2CCCCCC2)c1-c1cccc([N+](=O)[O-])c1	13424687	LHEXFIRHLRLKRS-UHFFFAOYSA-N	425.409	2.248	50	40	IEGB	
CCn1nc(C(=O)NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c2ccccc2c1=O	22196481	FXJAPAWMZQFUOL-UHFFFAOYSA-N	442.479	2.166	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1	408907265	NTEWPKSJRYXOKI-GNUZOCDUSA-N	434.474	2.298	50	40	IEGB	
CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)cc1	2224045	JOPHUCDFIAOHTR-ZMOGYAJESA-N	445.487	2.195	50	40	IEGB	
CN1C(=O)/C(=N\NC(=O)COc2ccccc2[N+](=O)[O-])c2cc(Br)ccc21	2324870	PLLSDBZSVIOBMU-SILNSSARSA-N	433.218	2.233	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc(Br)c1	12917921	IWALEUSDUGIMAN-UHFFFAOYSA-N	437.113	2.173	50	40	IEGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1	408707516	KAKGHQZCJCXADN-SSDVNMTOSA-N	437.294	2.257	50	40	IEGB	
COc1ccc(C(=O)N/N=C/c2cc(I)c(O)c(OC)c2)c(O)c1	409389876	AVRVBUNDROEUNZ-QGMBQPNBSA-N	442.209	2.484	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc(Br)c1	408741676	RMQBWQGXKGGNQX-DGURAOSJSA-N	445.298	2.229	50	40	IEGB	
CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1	2367438	YQVVZOGBORSBTR-IBGZPJMESA-N	449.467	2.143	50	40	IEGB	
COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)OC(=O)[C@H]45)[C@H]23)c1O	100872023	SPEHUXFIJAAOEY-NZQGBPGCSA-N	431.491	2.339	50	40	IEGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O	409149882	UBBXXIVHULWQHZ-KPSZGOFPSA-N	437.206	2.354	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cccc(Cl)c1C	409173522	JGTPDDJJMACQPK-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(Cl)c1	409260796	WNWPKVYZGDVFFV-FOKLQQMPSA-N	444.875	2.095	50	40	IEGB	
CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@@H]1c1ccc(F)cc1	1408469	QNMMLVUZFOECFW-HNNXBMFYSA-N	429.429	2.024	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)ccc1OCC(N)=O	8748660	XXPFHKCOPBXNKY-GOSISDBHSA-N	435.461	2.352	50	40	IEGB	
COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	9805703	WPIQZXMKMFOLQQ-DHRITJCHSA-N	435.436	2.462	50	40	IEGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1	28808570	KJMBDCSCYZXGGD-OAHLLOKOSA-N	429.860	2.006	50	40	IEGB	
COC(=O)COc1c(I)cc(/C=C(/C#N)C(N)=S)cc1OC	408542193	HPMSWKIGMOEWOV-OQFOIZHKSA-N	432.239	2.045	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C	408613470	ZUDXEQCWOZFEJA-CBFMJHRQSA-N	440.500	2.386	50	40	IEGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC(=O)O)c(OC)c1)c1ccccc1	408979587	NAOZYDHZNAFUSD-WQGFDPGOSA-N	443.456	2.486	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)cc1	16186951	NRAQLGKGDNFXFP-YBFXNURJSA-N	440.319	2.229	50	40	IEGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cccc1[N+](=O)[O-]	28215604	CQPXTJDPUQUMTC-SZMVHAFZSA-N	440.456	2.341	50	40	IEGB	
COc1ccc2c3c1O[C@@]1(C)[C@@H](OS(C)(=O)=O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393454	PLEJCHVAAIVYOT-SZPOEPLOSA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
N#CCC(=O)N/N=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@@H]1c1nc2ccccc2o1	104277640	WSXRGMYFBVJKDE-MSZQUAHTSA-N	449.810	2.093	50	40	IEGB	
O=C(CCn1c(=O)oc2cc(Cl)ccc21)NNC(=O)CN1CCCc2ccccc21	12545770	GENJQRLHUDGCAH-UHFFFAOYSA-N	428.876	2.238	50	40	IEGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(Cl)c2Cl)cc1OC	409142491	AGHUKJIUGBELFG-AWQFTUOYSA-N	446.312	2.439	50	40	IEGB	
CCN(CC)C(=O)CCN(NC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21	3671132	WZFXHAWASBQOFW-UHFFFAOYSA-N	428.514	2.041	50	40	IEGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)C[C@H](C)O1	13648528	VWSVMCSEYRAWBQ-GSEUPMHVSA-N	433.468	2.124	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	19954876	FAZDDHXEKIQNQX-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
C/C(=N\NC(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2	408875781	KULUZIPBJQZJTC-CJLVFECKSA-N	431.514	2.381	50	40	IEGB	
CCOC(=O)N1CCC2(CC1)[C@@H]1CN(C(=O)OCC)CC=C1C(C#N)=C(N)C2(C#N)C#N	2289189	GXPPJOTUIFGCJH-QGZVFWFLSA-N	438.488	2.023	50	40	IEGB	
C/C(=N\NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1Cl	36006880	GIBAJDKITRKATH-HAVVHWLPSA-N	448.976	2.495	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2F)ccc1OCC(=O)N1CCOCC1	409011051	FQNDARIRULZQNN-ZVHZXABRSA-N	429.448	2.226	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OCC)c1	409155538	JBCBERHNFXKYIP-AFUMVMLFSA-N	440.500	2.388	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2(c3cccc(C)c3)CCC2)cc1	32909521	BIEAQBRLILARKT-UHFFFAOYSA-N	429.542	2.193	50	40	IEGB	
COc1cc(C(=O)NNC(=O)c2cn(C)c3ccccc23)c([N+](=O)[O-])c(OC)c1OC	10736894	ODSSKVWUQBBGCP-UHFFFAOYSA-N	428.401	2.187	50	40	IEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1ccc(I)c(O)c1	409020088	LVFGOQOFIOUXEL-VCHYOVAHSA-N	441.225	2.190	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1	409159496	QQKHOMUMBIVQCI-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
COc1ccc(CCNC(=O)NNC(=O)c2cccn(Cc3cccc(F)c3)c2=O)cc1	23136115	ATMQHKBMSFNMKZ-UHFFFAOYSA-N	438.459	2.231	50	40	IEGB	
CCCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3cccnc3)CC2)cc1OC	40063392	ZVBZJIIUCUYUGJ-UHFFFAOYSA-N	440.500	2.192	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)Cc2ccccc2)cc1	59516172	UYUMCNBKHYSLJL-UHFFFAOYSA-N	428.558	2.384	50	40	IEGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	409144736	PQZBGRMFTJEWOA-PMACEKPBSA-N	435.505	2.474	50	40	IEGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)Cn1ncc2ccccc2c1=O	13021231	ARWTWJOMWNNAIN-UHFFFAOYSA-N	428.876	2.365	50	40	IEGB	
CSC[C@@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@H]2C1=O	102216780	ALHAXHSMCSYVPJ-HIYQPDCHSA-N	447.601	2.257	50	40	IEGB	
N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NC[C@@H]1CCCO1	13425436	LPBAKEBMQZEDNB-VZLDTWGNSA-N	436.512	2.139	50	40	IEGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1	58881635	QIRVDOPHYLKUHE-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)cc1OC	409004059	AFEZZLPSUGHMEM-ZVHZXABRSA-N	439.468	2.405	50	40	IEGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1ccccc1Cl	13027309	ZELSWMRRHXZEIW-IRXDYDNUSA-N	433.917	2.433	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccccc3)c(N3CCOCC3)nc12	13648499	RZOYKNSUWWFVQY-XMHGGMMESA-N	429.480	2.063	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C	30805984	PQWGJOFYKBZDHV-GOSISDBHSA-N	447.557	2.156	50	40	IEGB	
CC(C)n1nc(C(=O)NNC(=O)CC[C@H]2Cc3ccccc3NC2=O)c2ccccc2c1=O	14222481	ZDNVSHXRIKDRNF-INIZCTEOSA-N	447.495	2.330	50	40	IEGB	
CCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O	2200794	NAMCDVTXRVCESN-FBMGVBCBSA-N	428.496	2.064	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccc(Cl)c2)c1CN1CCCCCC1	12428694	KAQXXBAMRAKDOV-SSDVNMTOSA-N	443.899	2.026	50	40	IEGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)[C@@H]1COc2ccccc2O1	16148777	AYGNIDAGJFFHMK-ZDUSSCGKSA-N	447.694	2.252	50	40	IEGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	19859302	MOSPXEFWBSWMDP-IBGZPJMESA-N	426.904	2.361	50	40	IEGB	
COc1cc(C(=O)NC(=S)NNC(=O)COc2cc(C)cc(C)c2)cc(OC)c1OC	10042436	OVUVREUALHPSNP-UHFFFAOYSA-N	447.513	2.044	50	40	IEGB	
O=C(NNC(=O)c1cccnc1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	12866972	PLCRSMWZYDPHKD-UHFFFAOYSA-N	436.493	2.298	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	16186955	UUXUPNKCSWPMDE-HYARGMPZSA-N	447.513	2.039	50	40	IEGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408970246	DKBKBIZPRRQNQM-FYJGNVAPSA-N	434.449	2.285	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccccc3F)nnn2-c2nonc2N)c1	2216600	XGRIOCPKQCDCGJ-FOKLQQMPSA-N	436.407	2.201	50	40	IEGB	
Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	8437429	PMRPBSDZFDYUNH-XKZIYDEJSA-N	437.481	2.478	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O	16266263	BXGINFRVFRRHTJ-NRFANRHFSA-N	431.452	2.272	50	40	IEGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc(C(=O)O)cc1)OCc1ccccc1	408989399	KOSUCMPAOBVANI-SXPOYZCRSA-N	435.440	2.096	50	40	IEGB	
Cn1ncc(Br)c1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	689223	VLKZVSXRAAEDQS-AYSLTRBKSA-N	430.056	2.438	50	40	IEGB	
CCNC(=S)NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C	2087870	DWXSHEAZPXFJIT-UHFFFAOYSA-N	427.555	2.301	50	40	IEGB	
CCOc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	408688362	WCZLHXHKAPXZHU-HTQXZECBSA-N	438.274	2.138	50	40	IEGB	
CCOC(=O)CC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)[C@H](C(=O)OCC)C(=O)N1	2367825	WWMKYRCQEAUKDS-MSOLQXFVSA-N	448.472	2.209	50	40	IEGB	
Cc1cccc(/C=N/NC(=O)[C@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)n1	9065033	RFVWILVAFUFBCO-PFRKPPGBSA-N	440.463	2.248	50	40	IEGB	
CCOc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccncc3)cc2)cc1	12525962	HNGTWNIXTVDBCR-UHFFFAOYSA-N	440.481	2.356	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	20214682	JPBHQCXCLZWDMT-WXUSHSQQSA-N	447.513	2.161	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)ccc1O	408791338	WEAHGRIXPZQDHR-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
C[C@@H](CC(=O)NNC(=O)c1cccnc1)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	9850615	MJSWSAUJMQXHGH-INIZCTEOSA-N	443.935	2.261	50	40	IEGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cccc(N2C(=O)c3ccccc3C2=O)c1	13074856	FYYPIPRJXSNZMW-HXUWFJFHSA-N	443.415	2.088	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cccc(OC)c1OC)S(C)(=O)=O	408785905	JMKPKPFEIAGNIP-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
COC(=O)COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	9296317	MPVYSPSLMVKINB-INIZCTEOSA-N	449.261	2.259	50	40	IEGB	
O=C(CN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1)N/N=C/c1ccccc1O	17098799	RQZDSECNHVMYED-OEAKJJBVSA-N	434.477	2.498	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccc(F)cc1	20211821	VLRYKFMMQNYDAJ-UFFVCSGVSA-N	437.518	2.236	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(=O)(=O)c1cc(Cl)ccc1Cl	16187016	PGZVXPXCZKMDAW-DNTJNYDQSA-N	444.296	2.493	50	40	IEGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc(N(C)C)cc2)c(C)c(C#N)c1=O	409061035	ZNCFGVLSQIFLQR-QFEZKATASA-N	430.468	2.251	50	40	IEGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)N[C@H](C)CC)c2)cc1	409252581	UAFSAZZSOHKRCT-HUSFYUSLSA-N	440.500	2.468	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)cc(Br)c1OCC(=O)N(C)C	3335013	WTEBNIOCTFHCFT-LSHDLFTRSA-N	449.305	2.474	50	40	IEGB	
COC(=O)[C@]1(Cc2ccccc2)N[C@H](c2ccc(OC)c(Cl)c2)[C@H]2C(=O)OC(=O)[C@@H]21	106339421	QAFAAGPUTSPMMD-KCXPTXFHSA-N	429.856	2.463	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1cccc(F)c1	409348486	NSAGWNUMTPFHLW-UHFFFAOYSA-N	432.521	2.360	50	40	IEGB	
C[C@@H](C(=O)NNC(=O)CCl)n1nnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	2148213	WQRYIHPVMZIUMQ-LURJTMIESA-N	444.723	2.325	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)nc12	2200268	VEBZEIIKHSMIHX-XDJHFCHBSA-N	449.536	2.093	50	40	IEGB	
Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NNC(=O)c3cccnc3)C2=O)cc1	2305825	DYCNETFBXMYCAD-LFIBNONCSA-N	426.523	2.443	50	40	IEGB	
CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)c1ccco1	9507043	GAKYEZRBKMPITR-ZDUSSCGKSA-N	440.319	2.355	50	40	IEGB	
O=C(NNC(=O)c1cccc2cn[nH]c12)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	12752096	DHXZNJSRHMOJNX-UHFFFAOYSA-N	438.451	2.340	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	20214686	JPBHQCXCLZWDMT-QQHUYRGFSA-N	447.513	2.161	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1F	408872549	GDXGESXABDJKIW-DJKKODMXSA-N	428.829	2.304	50	40	IEGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O	408912361	PYVNBIOUUAYTEM-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)c1ccccc1	59959864	KJZWMKLULRFICO-HSOLMKNUSA-N	448.479	2.302	50	40	IEGB	
O=C(CNC(=O)c1ccccc1O)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	9330701	SWDQAGPWRGWESB-QYQHSDTDSA-N	428.448	2.189	50	40	IEGB	
COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccc(OC)c(Cl)c2)[C@@H]2C(=O)OC(=O)[C@H]21	100913650	QAFAAGPUTSPMMD-FOUBCARRSA-N	429.856	2.463	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(Br)cc1	409156192	TVFVQAAYMREQHO-SSDVNMTOSA-N	447.289	2.053	50	40	IEGB	
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)[C@@H]1COc2ccccc2O1	2627609	MUWNCIUFJSSEMH-NRFANRHFSA-N	432.432	2.284	50	40	IEGB	
N#C/C(=C\c1cn(CC(=O)NC[C@H]2CCCO2)c2ccccc12)C(=O)NC[C@H]1CCCO1	890518	LPBAKEBMQZEDNB-QUPGIRRZSA-N	436.512	2.139	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1cccc2ccccc12	19955278	WIVONDPTBAOAIT-LPYMAVHISA-N	425.466	2.454	50	40	IEGB	
CCCN1CC=C2C(C#N)(C#N)C(N)=C(C#N)[C@@H](c3ccc(OCC(N)=O)cc3)[C@]2(C)C1	34896962	JQKBDOZYCJCOTA-FYYLOGMGSA-N	430.512	2.076	50	40	IEGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408965203	HGLRXSYZMQNEIL-WSDLNYQXSA-N	441.469	2.414	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OCC(=O)N1CCCC1	409156189	MRVKJMZQSXLRKL-ZVHZXABRSA-N	438.484	2.094	50	40	IEGB	
CCCc1[nH]nc2c1[C@@H](c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2	20000280	MDUUDQZVMIPSHC-FQEVSTJZSA-N	439.516	2.300	50	40	IEGB	
COc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	139006784	MFOQPDZYBVJZIQ-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	25606266	AKUMEVICUNTQLL-UHFFFAOYSA-N	437.905	2.208	50	40	IEGB	
C/C(=N\NC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	408879339	FHTGYWUCSSNQOV-FYJGNVAPSA-N	437.905	2.418	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(OC)c1	16187014	GEPPFNNRLUJLII-RGVLZGJSSA-N	425.894	2.128	50	40	IEGB	
COc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl	408647058	SDLGZUYVMJPGEZ-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2)cc1	409162499	FOOIOSNAZAQPBP-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)NNC(=O)Cc1ccccc1	12491786	XCDBYLARHXYDNJ-UHFFFAOYSA-N	448.508	2.464	50	40	IEGB	
O=C(CCn1nnc2ccccc21)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	36470846	YEWADQWEHNKTRP-GIJQJNRQSA-N	433.222	2.348	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1	408771526	ISPGFUWUZZEGJT-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1cccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)c1	409327968	OLOVSPHIKAZQEO-UHFFFAOYSA-N	444.557	2.229	50	40	IEGB	
CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCN2CCN(C)CC2)=C(C)N1	68606361	SUJLFJIXYKLRRO-OAQYLSRUSA-N	425.489	2.144	50	40	IEGB	biogenic
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3ccncc3)C2=O)cc1	2268572	KZWBZMZZNMTOTN-VBKFSLOCSA-N	426.523	2.443	50	40	IEGB	
CCc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1	28808867	BDNSWHZXFPTRPO-OAHLLOKOSA-N	443.887	2.260	50	40	IEGB	
Cc1ccc(C)c(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1	408651413	DKNLNJBBYNMBDZ-OAHLLOKOSA-N	443.887	2.314	50	40	IEGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc2c(c1)OCO2)OCc1ccccc1	408991553	QIABBWQTZOGQCK-ZTWLKVPMSA-N	435.440	2.126	50	40	IEGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@H]2C[C@@H]3[C@H](C(=O)O)[C@H]12	102707368	KSKYMHXYFVXPIQ-BOSCTWGLSA-N	446.462	2.453	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc(OC)c1OC	408926897	WRLDMSQCAQIPQZ-CNRHGSOZSA-N	435.502	2.017	50	40	IEGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(O)c(Br)c2)c1C#N	833308	INGILKKHTHYYMD-ODCIPOBUSA-N	433.262	2.405	50	40	IEGB	
CCOCCCNC(=O)C(=O)N/N=C/c1cc(C(=O)O)ccc1Nc1ccccc1C	408708875	UYUHGZBBZWKQCE-ZVHZXABRSA-N	426.473	2.430	50	40	IEGB	
COc1cccc(OC)c1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	3360593	YALRQUQIJKEBMT-UHFFFAOYSA-N	437.246	2.084	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	16186791	ZNKMTVRSAVGBJR-VXLYETTFSA-N	440.865	2.028	50	40	IEGB	
COc1ccc2c3c1O[C@]1(C)[C@H](OS(C)(=O)=O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505072	PLEJCHVAAIVYOT-MOPYOMAISA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	409168448	MMXYZILHWCNGAI-DHRITJCHSA-N	438.484	2.082	50	40	IEGB	
COc1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)cc1OCC(N)=O	1089276	KTEUXHPVXMVDHF-BHGWPJFGSA-N	441.875	2.221	50	40	IEGB	
COc1cc([C@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)cc(OC)c1OC	5956852	SERDXPHPXCGFFY-FEPWDSCHSA-N	431.445	2.101	50	40	IEGB	
COc1ccccc1C(=O)NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1	408615069	LMUZHURJCRXXHP-GFCCVEGCSA-N	432.274	2.272	50	40	IEGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1C	18103864	SDZTVRQMBXIBEG-DUVHGLKDSA-N	445.541	2.199	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1OC	19954179	ZBYGRALBFVMWAX-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	408905648	BWMWVOMAMHLAJM-QPNANDPSSA-N	444.444	2.420	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCC(=O)Nc1ccccc1	409175552	SMSKSLRFFXZTEG-SSDVNMTOSA-N	447.289	2.053	50	40	IEGB	
COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)c1	39986745	GPKLIXOHIKRZKS-JAIQZWGSSA-N	425.894	2.128	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OCC)c1	409167997	KQCVZFHVFINUCO-AFUMVMLFSA-N	438.484	2.164	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1	409266693	QUZLFWOBDJCEDH-LJGKHRNASA-N	426.473	2.078	50	40	IEGB	
COc1ccc(CCN2C(=O)C[C@@H](NNC(=O)c3ccccc3Br)C2=O)cc1	101817037	FSRNLFHUVLPLAD-QGZVFWFLSA-N	446.301	2.062	50	40	IEGB	
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	3359940	VKTLPGZYDJIYSN-HKWRFOASSA-N	443.506	2.339	50	40	IEGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)c1	20210839	AYMUKYPWMIHAQJ-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1	408765432	VWZNKLAZDHYKGB-DTQAZKPQSA-N	443.437	2.128	50	40	IEGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)Nc1ccccc1	409156021	SPXAVKJQYMLIKC-WGOQTCKBSA-N	430.464	2.471	50	40	IEGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1	3451747	KVVKXOOFXQKNDF-UHFFFAOYSA-N	442.457	2.023	50	40	IEGB	
COc1cccc(CN(C)CC(=O)NNC(=O)COc2ccc(Br)cc2)c1	19530703	DYEWRGJCNMVOBS-UHFFFAOYSA-N	436.306	2.116	50	40	IEGB	
C[C@H](NC(=O)CCC(=O)NNC(=O)c1ccccc1)C(=O)c1ccc(Br)cc1	84099224	RHUNRQDJVTZUQR-ZDUSSCGKSA-N	446.301	2.378	50	40	IEGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	408861401	ROLKQBGNPMGVHS-OEAKJJBVSA-N	427.526	2.475	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(Cl)c2C)c1	2178184	ROOYOJIQJFIYNI-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3cccnc3)C2=O)cc1	8819134	NOKNOCYZVSUOHT-YBEGLDIGSA-N	442.522	2.143	50	40	IEGB	
O=C(COCC(=O)N1CCc2ccccc2C1)NNC(=O)c1ccc(C(F)(F)F)cc1	9851082	CSCSEZBAFZRCGS-UHFFFAOYSA-N	435.402	2.068	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc(OC(F)(F)F)c1	12735374	CZXIHBRAMMBSBN-UHFFFAOYSA-N	442.213	2.310	50	40	IEGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	20211355	MYTOTOBKXUWAOJ-HYARGMPZSA-N	449.529	2.409	50	40	IEGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	409243240	QYPNZAQFGXMJHY-WDZFZDKYSA-N	427.329	2.406	50	40	IEGB	
N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@@H]1c1cccc(Br)c1	409301388	FEWVUNWIOSJGLH-CQSZACIVSA-N	436.331	2.380	50	40	IEGB	
COc1ccc(NCc2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)n2C)cc1	925042	DJRNBMOTEYMJBJ-UHFFFAOYSA-N	440.529	2.298	50	40	IEGB	
O=C(NNC(=O)c1ccc(Br)cc1)C1=NN(Cc2ccccc2)C(=O)CC1	40120712	MWFVVQQRGKKSDB-UHFFFAOYSA-N	429.274	2.389	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(OC)c1O	408762368	KBBDFPYIUFIIKW-VVJWVBNBSA-N	449.529	2.171	50	40	IEGB	
C[C@H](C(=O)N/N=C/c1ccc(OC2CSC2)cc1)N(c1ccccc1)S(C)(=O)=O	408907177	MAGOWGCFJBHCSS-VRCTWVPOSA-N	433.555	2.486	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Br)cc1	408534637	MLMXWTOVMCDVGH-YKKGFXKDSA-N	447.289	2.048	50	40	IEGB	
CCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@@H]3Br)cc1	408689161	XRVVLQCATKKUFS-RZRDZNJRSA-N	438.274	2.138	50	40	IEGB	
CCN(CC)c1ccc(/C=N\NC(N)=O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1	409065564	TYDAUFXEWFRSNN-UUYOSTAYSA-N	428.449	2.461	50	40	IEGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c(OC)c1	951118	OFVNPSSFRGXKMC-QQFZQELXSA-N	434.404	2.365	50	40	IEGB	
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	2432209	QXVIWNMONVHGEW-HNENSFHCSA-N	433.424	2.172	50	40	IEGB	
COc1ccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1Cl	8990393	IHJJJQDEPJRDBI-GRRFOWRYSA-N	435.889	2.040	50	40	IEGB	
COc1cc(C(=O)NNC(=O)[C@H]2COc3ccccc3O2)cc(OC)c1Br	13019236	VMAAIGSWLUQBLX-OAHLLOKOSA-N	437.246	2.067	50	40	IEGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1cccc(Cl)c1	409260191	MHTMJEISBLNWTM-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
CCOC(=O)C1=C(C)N(c2nonc2NC(C)=O)C(N)=C(C#N)[C@@H]1c1ccccc1F	1074214	VDFWUEAAQYQFLX-INIZCTEOSA-N	426.408	2.302	50	40	IEGB	
COc1ccc(N/C=C2\C(=O)N(CCN3CCOCC3)C(=O)C(C#N)=C2C)cc1Cl	8991520	RRSDYHWWOPIQGE-LGMDPLHJSA-N	430.892	2.185	50	40	IEGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)NCCCSc1ccccc1	9502270	MMMQBEMSULKSTO-UHFFFAOYSA-N	435.575	2.415	50	40	IEGB	
CCOc1cc([C@H]2C(C#N)=C(N)O[C@H]3CCCC(=O)[C@H]32)ccc1OCCN1CCOCC1	2359450	HOBDXMMBUUQKFW-ACIOBRDBSA-N	441.528	2.342	50	40	IEGB	
C[C@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	408655756	LZUDTGNIBODSSN-ZBFHGGJFSA-N	443.887	2.254	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CCC3)cc(OC)c1OC	691502	LSUOSJKDWHHFJY-HXUWFJFHSA-N	440.500	2.060	50	40	IEGB	
COc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccc(C)cc2)cc1	408863233	QLUGPQFHKPUJIR-UHFFFAOYSA-N	444.557	2.397	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(O)c(OCC)c2)S(C)(=O)=O)cc1	408908561	WHIOADAMYBERJL-QQHUYRGFSA-N	449.529	2.494	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)cc(Cl)c1OCC(=O)Nc1ccccc1	409260329	ORZKKISNQWISPG-FOKLQQMPSA-N	444.875	2.095	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc1	409266271	QEJCJCSUPLQJFS-GCMSVZMUSA-N	440.500	2.468	50	40	IEGB	
Cc1ccccc1C(=O)NNC(=O)CCn1cnc2ccc(Br)cc2c1=O	40040004	NNNBKZPHVXUJJT-UHFFFAOYSA-N	429.274	2.319	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	408907445	OCQMRYXOGHFSKB-WXUSHSQQSA-N	449.529	2.407	50	40	IEGB	
Cn1cnnc1Sc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-]	3297888	MKYHELVWKNTFOQ-UGNSCYDZSA-N	440.441	2.165	50	40	IEGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1	3458446	JZAWUHIFJNLVFE-UHFFFAOYSA-N	442.457	2.023	50	40	IEGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1cccc(Cl)c1	408685690	PZIOIZXRLAZUAQ-ORIIPUBOSA-N	428.666	2.393	50	40	IEGB	
O=C(CCCC(=O)NNC(=S)Nc1ccccc1)NNC(=S)Nc1ccccc1	4822862	JDOAXLTZCWYZLO-UHFFFAOYSA-N	430.559	2.192	50	40	IEGB	
CC(=O)N[C@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@H](C(=O)O)C(C)C	6077002	AVODXODZUNFBMI-MSOLQXFVSA-N	446.375	2.243	50	40	IEGB	
N#Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccccc2Br)cc1	3281384	TUSIPVHEJWQNGQ-UHFFFAOYSA-N	433.287	2.035	50	40	IEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)/C=C/c2ccccc2)cc1	9882430	NBTYGNZEVLJNLT-INFVRCAFSA-N	444.557	2.273	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	12658681	MQYKWQGGERPTQD-DUJVFINESA-N	441.484	2.179	50	40	IEGB	
Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3ccccc3Cl)C(=O)NC2=S)cc1	408755293	JGYKLERHZSZTNR-KHAGQWAKSA-N	444.900	2.193	50	40	IEGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1	21921580	HYVJQHZCNCSGGR-CYBMUJFWSA-N	442.472	2.231	50	40	IEGB	
COc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	408529882	DIKZPFWYENTXHT-BYXSLANXSA-N	448.357	2.329	50	40	IEGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br	409229878	ASBPRWNPICFGDJ-WTKPLQERSA-N	427.052	2.325	50	40	IEGB	
COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)c2ccc(OC(C)C)c(OC)c2)c1	13012004	WKGKOUOPGXHGBC-UHFFFAOYSA-N	436.486	2.201	50	40	IEGB	
CCOc1ccc(N2C[C@H](C(=O)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)CC2=O)cc1	15384817	AMJPHGPRVLWYLL-HUUCEWRRSA-N	429.448	2.192	50	40	IEGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccn(Cc3ccc([N+](=O)[O-])cc3)n2)c1O	38177181	LJVYMKWSURKZIK-KEBDBYFISA-N	440.372	2.226	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)ccc1O	408781054	QVIVZSQTZQMORB-LSHDLFTRSA-N	445.419	2.336	50	40	IEGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3ccccc3C)n2C)cc1	8829658	ALJMCGCBOPAXNQ-UHFFFAOYSA-N	425.514	2.417	50	40	IEGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	19859295	NJBDPAQJOSNWNJ-IBGZPJMESA-N	426.904	2.361	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1	409153085	GVZKCEPEYSANHC-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)CCC1	3108903	FICGLHNPPKAIOR-ADYPVIEZSA-N	438.400	2.274	50	40	IEGB	
CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)NNC(=O)c1ccc(Cl)cc1	20946382	RIQWUZSECLMZBU-UHFFFAOYSA-N	432.889	2.276	50	40	IEGB	
Cc1sc2nc(CS[C@H](C)C(=O)NNC(=O)c3ccccc3O)[nH]c(=O)c2c1C	21901397	BGNPEHPHZBXALN-LLVKDONJSA-N	432.527	2.390	50	40	IEGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1	26688615	APIPMANLXNWRGZ-NIFLVVHWSA-N	428.466	2.334	50	40	IEGB	
C#CCN1C(=O)/C(=N/NC(=O)[C@@H]2COc3ccccc3O2)c2cc(Br)ccc21	100056923	SOLZAYDKZYXSKG-VPMFXMNOSA-N	440.253	2.089	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1	409153102	KTVCIDMJVURSAQ-AFUMVMLFSA-N	438.484	2.164	50	40	IEGB	
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(O)c(I)c1	1433604	TYVOWDYQBHEEDT-CAOOACKPSA-N	441.181	2.434	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)cc1	58951804	JFSAYLGLRBDWRX-HYARGMPZSA-N	429.498	2.244	50	40	IEGB	
C#CCOc1c(/C=N/NC(=O)CNC(=O)COc2ccccc2Cl)cccc1OC	17096679	XIZRNCOPWDLKRD-WYMPLXKRSA-N	429.860	2.006	50	40	IEGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)c1	106278267	SYSCVUIQDWFXDO-HMAPJEAMSA-N	427.461	2.128	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OC	408875389	FFQJLQNMDQBFAS-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C(=O)OC)cc1	2275649	BBUONXFHXLHSAJ-GOSISDBHSA-N	426.425	2.217	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC	9108841	QFXUUZLFBCARKX-FOKLQQMPSA-N	435.444	2.226	50	40	IEGB	
COc1cc(C(=O)NNC(=O)CSc2nc(C)c(C)c(C)c2C#N)cc(OC)c1OC	9282917	QQHJYDNTISZDBA-UHFFFAOYSA-N	444.513	2.458	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccncc2)cc1)Nc1ccc(F)cc1	58873959	VRQCGNCLYJWXTO-MZJWZYIUSA-N	449.442	2.005	50	40	IEGB	
COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)c1O	408732772	YREZLUJFALUECU-RGVLZGJSSA-N	426.458	2.589	50	40	IEGB	
NC(=O)Cn1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c2ccccc21	33402099	ZXXHDCDECZWWQX-LSFURLLWSA-N	429.274	2.418	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3OC)nnn2-c2nonc2N)cc1	2387654	GGNZNTFZKCMCOO-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCN4CCOCC4)c(=O)c32)cc1	20356399	OZLWEVNRDDFAOK-NRFANRHFSA-N	436.512	2.106	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1O	408786012	DWDDPCPFERSJSL-LSHDLFTRSA-N	445.419	2.336	50	40	IEGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccc(C)cc2)cc1	408921503	IGSYBYRXBFSZJP-UHFFFAOYSA-N	444.557	2.397	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2)cc1Cl	409256047	JLFMOPXLJWGMCA-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
COc1ccccc1OCC(=O)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12	3349951	VDZLUCAHVRYLRJ-UHFFFAOYSA-N	444.447	2.234	50	40	IEGB	
COc1ccc(N2C[C@H](C(=O)NNC(=O)c3cccc(Br)c3)CC2=O)cc1	408615914	UNGLEXNDAFLLGM-CYBMUJFWSA-N	432.274	2.272	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2ccc(C)c(C)c2)C(C)C)cc1	14201825	ZUJVEFFMKAIILX-LJQANCHMSA-N	433.530	2.076	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OCC)c1	409168437	MKUYNNRMGZQDDI-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
CCOc1ccc([C@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409318726	XQMQJUZECBEJKP-JKSUJKDBSA-N	438.889	2.383	50	40	IEGB	
CC(=O)N(NC(=O)COc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O	2410349	PKZGBHWWCZLOSE-KRWDZBQOSA-N	433.823	2.070	50	40	IEGB	
COc1ccc(Cl)cc1N1C(=O)C[C@H](NNC(=O)Cc2c[nH]c3ccccc23)C1=O	95351896	DRVLYWDMEHRDAW-INIZCTEOSA-N	426.860	2.325	50	40	IEGB	
COc1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	408670779	YCXMQANKHJHXFS-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
C#CCOc1c(I)cc(/C=N\NC(=O)c2ccncc2)cc1OC	408928221	XSGAGVNJDHHUFV-JAIQZWGSSA-N	435.221	2.471	50	40	IEGB	
COc1cccc(-n2nnc3c(N4CCN(C(=O)C(C)(C)CCl)CC4)ncnc32)c1	9850654	ANHGBTSKMVVSJC-UHFFFAOYSA-N	429.912	2.133	50	40	IEGB	
O=C(NC1CCN(C(=O)NNC(=O)c2cncn2-c2ccccc2)CC1)c1ccccc1	9467331	BXJPLSBKODQDFK-UHFFFAOYSA-N	432.484	2.121	50	40	IEGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O	20212580	GEKQEBSSQJCMJI-SRZZPIQSSA-N	437.905	2.336	50	40	IEGB	
CCOC(=O)CCC(=O)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O	23109440	LTIDZVSOTPOMMV-UHFFFAOYSA-N	440.283	2.308	50	40	IEGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1I	408772565	NEHHCSGKLCNXRP-SDQBBNPISA-N	428.226	2.275	50	40	IEGB	
C#CCOc1c(/C=N/NC(=O)CNC(=O)c2ccccc2)cc(Br)cc1OC	408819710	SMCAEYSCKGFSPY-FSJBWODESA-N	444.285	2.350	50	40	IEGB	
Cc1nn(C)cc1/C=N/NC(=O)c1nn(Cc2cccc(Br)c2)cc1[N+](=O)[O-]	1086810	DMQDRIOXKWPSDC-FBCYGCLPSA-N	446.265	2.408	50	40	IEGB	
COc1ccccc1-n1c(C)nnc1SCC(=O)NNC(=O)COc1ccccc1F	9632424	XQBRSTRUTYGQPO-UHFFFAOYSA-N	445.476	2.042	50	40	IEGB	
Cc1c(C(=O)NNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)oc2ccccc12	40069145	KEHAZCMOKVBTQB-KRWDZBQOSA-N	427.482	2.356	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408994039	YDTZEYJEBYVZSA-HTHFWCIQSA-N	449.467	2.184	50	40	IEGB	
C[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	9983241	ZZWHKPXERJXLGF-NSHDSACASA-N	438.267	2.116	50	40	IEGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)NC(N)=O)cc1Br	409240607	HDWXCIKZFPZUDU-OQFOIZHKSA-N	430.642	2.146	50	40	IEGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NNC(=O)c1ccco1	9883314	ZGBOSHAZIQBRIF-OAHLLOKOSA-N	445.476	2.410	50	40	IEGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O	19951329	PRUKEHXYGHQSJO-OEAKJJBVSA-N	438.465	2.125	50	40	IEGB	
Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](C(=O)NNC(=O)Nc4ccccc4)C3)C2=O)cc1	35107778	GBMVNZFGMXCWIS-PXNSSMCTSA-N	449.511	2.192	50	40	IEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1	408768640	IFYJTGQXANQNBJ-SRZZPIQSSA-N	437.905	2.490	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1Cl	408781248	BPKLPBYGLXNFDZ-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1	409144744	PQZBGRMFTJEWOA-WOJBJXKFSA-N	435.505	2.474	50	40	IEGB	
Cc1ccc(C(=O)N[C@@H](C(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)C(C)C)cc1	10000650	JIHDGCSGLGZCSN-VSDHBIACSA-N	433.512	2.340	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(N)=S)cc(I)c1OCC(=O)OC	33792681	BMOZAZLZCSHPRR-ONNFQVAWSA-N	446.266	2.435	50	40	IEGB	
O=C(CCNS(=O)(=O)c1cccs1)NNC(=O)CSc1ccc(Cl)cc1	9253519	DWBYEEMHFXGFJO-UHFFFAOYSA-N	433.964	2.010	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccn3)nnn2-c2nonc2N)cc1	9291016	PHGNLSFBKKSNDS-ZMOGYAJESA-N	447.459	2.237	50	40	IEGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2cc(C)ccc2OC)c1	9762847	PZILTMMASUYJLH-AFUMVMLFSA-N	442.472	2.480	50	40	IEGB	
COc1c(/C=N\NC(N)=O)c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2	15086074	CLKGOPLZYQHUEU-BLYHXQGHSA-N	444.419	2.310	50	40	IEGB	
CN1C(=C(C#N)C(=O)COC(=O)c2cccc(NS(C)(=O)=O)c2)N(C)c2ccccc21	22885954	PCFAHFBNHBJZJZ-UHFFFAOYSA-N	440.481	2.105	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c(OCC)c2)S(C)(=O)=O)cc1	408728076	VGOWJEOWZCUWIB-HYARGMPZSA-N	449.529	2.409	50	40	IEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408972908	WXLRFXIPKVQHSF-FYJGNVAPSA-N	434.449	2.285	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cc(C)cc(C)c1	409273338	XKCWHTJNQCJSFX-WYMPLXKRSA-N	438.484	2.058	50	40	IEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2\C(O)=Nc3ccc([N+](=O)[O-])cc32)c1	14361342	SMNXIRVMIGKQKY-UHFFFAOYSA-N	445.457	2.361	50	40	IEGB	
N#C/C(=C/c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1)C(=O)NC[C@H]1CCCO1	89780941	IWMSYKYOPHKIPH-LYHGXNBKSA-N	434.496	2.091	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OCC)c1	409174549	NJXZVUSSQVNZRK-MFKUBSTISA-N	440.500	2.469	50	40	IEGB	
COC(=O)[C@@H]1C(=O)NC(SCc2nnnn2C2CC2)=C(C#N)[C@H]1c1ccccc1Cl	12738409	RWSAIWQUNRCQPW-CVEARBPZSA-N	444.904	2.333	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OCC	408927274	YYQAGJLEJUISGM-HYARGMPZSA-N	449.529	2.409	50	40	IEGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)C(=O)NNC(=O)c2ccncc2)cc1	3144140	KTQLKJGMUGZBJS-MRXNPFEDSA-N	445.479	2.222	50	40	IEGB	
O=C(COC(=O)c1cc2ccccc2[nH]1)NNC(=O)COc1ccc(Br)cc1	8882402	UFPNALKHCMVQFX-UHFFFAOYSA-N	446.257	2.314	50	40	IEGB	
CCOc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OCC)c1OCC	9909059	BYBSGCOHDQSHAJ-IBGZPJMESA-N	430.457	2.484	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	16186762	LYXILONHNHUPNV-LPYMAVHISA-N	427.482	2.325	50	40	IEGB	
CCn1c(=O)c(C(=O)N/N=C(\C)c2c(O)c3ccccc3[nH]c2=O)c(O)c2ccccc21	100534803	LQOPKRIZYLBLFO-BRJLIKDPSA-N	432.436	2.428	50	40	IEGB	
N#CCC(=O)N/N=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@H]1c1nc2ccccc2o1	103014142	WSXRGMYFBVJKDE-CVNUAIRLSA-N	449.810	2.093	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CNS(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1OC	409146769	UQRJCHGOEHEVNX-SSDVNMTOSA-N	449.529	2.066	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc1OC	59515605	HVGGBPHZVUHWCZ-MFKUBSTISA-N	441.484	2.086	50	40	IEGB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1ccc(SC#N)cc1	21010756	OEQYINMQQFRHNV-AWEZNQCLSA-N	426.545	2.234	50	40	IEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	28214365	PGDOMHLHCWPVHQ-YDZHTSKRSA-N	430.892	2.140	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@H]1[C@@H]1[C@@H](OCC)CC(C#N)=C[C@@]12C(=O)OCC	100643631	JSGWTFQNBMFHIF-QXGUTGIOSA-N	444.484	2.185	50	40	IEGB	
O=C(CN1C(=O)NC2(CCCC2)C1=O)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	10735440	WDBXBMPXFIKNBT-UHFFFAOYSA-N	430.461	2.180	50	40	IEGB	
CCOc1ccc(N2C(=O)c3ccc(C(=O)NNC(=O)c4ccccn4)cc3C2=O)cc1	15627509	YFZPAMWFGKQFKK-UHFFFAOYSA-N	430.420	2.356	50	40	IEGB	
COc1cccc(/C=N\NC(=O)C2CCN(C(=S)N[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	104214066	ZZVDYFFXHSMKLH-NGRQNISPSA-N	428.558	2.402	50	40	IEGB	
COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1Nc1ccc(OC)cc1	408707635	LFMMIPRKWGFYEJ-WSDLNYQXSA-N	449.305	2.414	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409273483	YLDIAMGJMRBBDC-VSRRSJTHSA-N	444.919	2.400	50	40	IEGB	
Cc1cc(/C=N/NC(=O)c2nn(Cc3ccc(Br)cc3)cc2[N+](=O)[O-])n(C)n1	1089082	IZGTXGUDRUTZRS-UFWORHAWSA-N	446.265	2.408	50	40	IEGB	
CCc1sc(C(=O)NNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)cc1C	25400514	JCQITGKCQODEKX-CQSZACIVSA-N	439.534	2.372	50	40	IEGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@@H]4CCCO4)cc3)c(C)nc2c1	58872776	UKMHZDIWOGRDPY-SCRDLHCBSA-N	449.511	2.389	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C(=O)O)cc2)S(C)(=O)=O)cc1	408927121	YEFQVDNOGQAWNV-CNRHGSOZSA-N	433.486	2.088	50	40	IEGB	
O=C(NNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccccc1	14201175	NFGVVGFAZQRHIE-LJQANCHMSA-N	441.484	2.177	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(=O)O)CC2)cc1	3377133	FAKRHZLRJOEQJY-HYARGMPZSA-N	429.498	2.244	50	40	IEGB	
CCn1c(CCC(=O)NN(C)c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21	12627238	PDFABVHXFXHAFW-UHFFFAOYSA-N	429.546	2.407	50	40	IEGB	
O=C(CCN1C(=O)NC2(CCCCC2)C1=O)NNC(=O)c1cc2c(s1)CCCCC2	12931868	KIFBVEJZZYNFSI-UHFFFAOYSA-N	432.546	2.423	50	40	IEGB	
CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2)CC1=O	408657966	KHSSNBQTGXRPJY-LJQANCHMSA-N	437.496	2.169	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1	20210095	NKBMAXJEPXVRSB-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
Cc1cc(C)nc(NNC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1	22701287	RUXAQUHAGKUATO-SFHVURJKSA-N	443.504	2.265	50	40	IEGB	
CCOc1ccc(/C=N\NC(=O)CSc2nnnn2-c2ccc(OC)cc2)cc1OC	33334159	RDMBVINVKLLDMU-MTJSOVHGSA-N	442.501	2.321	50	40	IEGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)cc1OC	409062715	ZOCQXFXHXJNKRL-ROTLSHHCSA-N	435.415	2.333	50	40	IEGB	
Cc1ccc(Cl)cc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1	409259111	XOIJCDKHEBQEQN-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1O	3148654	NHIPEUFQPONSNM-RMNBPEERSA-N	426.210	2.189	50	40	IEGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)Cc1ccc(Br)cc1	15979978	AHFIPICLMGWYET-UHFFFAOYSA-N	445.361	2.351	50	40	IEGB	
CS(=O)(=O)NCCc1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)s1	23179397	NLCKIJBLUYRSCK-UHFFFAOYSA-N	441.600	2.245	50	40	IEGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1	26688613	APIPMANLXNWRGZ-ZFOVBUMHSA-N	428.466	2.334	50	40	IEGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@@H]1[C@H]4C(=O)O)[C@@H]32	102707370	KSKYMHXYFVXPIQ-KKAAGUFOSA-N	446.462	2.453	50	40	IEGB	
COc1ccc(Cc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)o2)cc1OC	408637965	OKRAHKRDHCWMHK-UHFFFAOYSA-N	442.497	2.160	50	40	IEGB	
CC(C)[C@H](Br)C(=O)NNC(=O)[C@]1(C)CC1(Br)Br	2311810	FAZCAHMURUSVEW-RCOVLWMOSA-N	434.954	2.449	50	40	IEGB	
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN	4994716	FDNZGMRODBEPDH-ROUUACIJSA-N	431.537	2.125	50	40	IEGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)N1CCOCC1	6381022	OFIRTGRJTVEHKU-AQTBWJFISA-N	427.501	2.289	50	40	IEGB	
N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NC[C@@H]1CCCO1	13425435	LPBAKEBMQZEDNB-AXDBAROBSA-N	436.512	2.139	50	40	IEGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)C(=O)NCCOC)ccc21	16162854	FEZSXBZWWKGTQC-CVKSISIWSA-N	437.500	2.398	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NC(C)C)cc1	409150853	FIFWEXWVTOVMDY-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
COc1ccccc1/C=N/NC(=O)CN(c1ccc(Br)cc1)S(C)(=O)=O	408785650	AGKXCFSUWJSLIC-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
C/C(=N\NC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20213782	HJFLYYVSBHCQNK-CJLVFECKSA-N	431.514	2.381	50	40	IEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2cc(OC)c(O)c(OC)c2)c1	3204429	DYCMWLKSLDUFPP-FYJGNVAPSA-N	435.502	2.204	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C	408613468	ZUDXEQCWOZFEJA-ANDSAHIGSA-N	440.500	2.386	50	40	IEGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccc(Cl)cc1	408686838	SIOBVAQSVBZVSA-SLQSZJTJSA-N	428.666	2.393	50	40	IEGB	
O=C(NN[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O)c1cc(Br)ccc1O	857221	FWWXOPHVACNVBB-ZDUSSCGKSA-N	438.665	2.375	50	40	IEGB	
CCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21	95661430	URPIYSVEOJKEBI-OUIBMFCXSA-N	449.536	2.470	50	40	IEGB	
CC1=C(C#N)C(=O)N(CCCN2CCCC2=O)C(=O)/C1=C/Nc1ccc2oc(=O)ccc2c1	101488960	SVBKDBWCHIKMMK-XMHGGMMESA-N	446.463	2.310	50	40	IEGB	
COc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	408669002	VLLSDXUCOCEHFE-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc12	9402780	ZGWQYLYCPCNWED-LSDHHAIUSA-N	446.456	2.335	50	40	IEGB	biogenic
Cn1c(=O)oc2cc(S(=O)(=O)NNC(=O)c3cc4c(s3)CCCCCC4)ccc21	23015568	QQNTVXCSGUVGKA-UHFFFAOYSA-N	435.527	2.475	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1	33335356	RIALUWXWJHHGOR-OYKKKHCWSA-N	441.484	2.145	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1cccc(F)c1	409147781	VWUMOOXWTFOKTO-UFFVCSGVSA-N	437.518	2.236	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2ccc(Cl)s2)cc1	40143808	NIHXCSHSOWVDQX-UHFFFAOYSA-N	429.951	2.111	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cc(S(=O)(=O)NCC(C)C)c(Cl)cc1Cl	104339292	GFEBXICUYASSQX-BENRWUELSA-N	448.328	2.410	50	40	IEGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)OCc1ccccc1	408991256	PXSCQGTWOWJCPS-CCYMUMOUSA-N	436.428	2.306	50	40	IEGB	
C/C(COc1ccccc1)=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc(C)cc1	9308171	QQOGGKFYCQZCJP-OEAKJJBVSA-N	432.444	2.393	50	40	IEGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)n1	14185977	WFTFQJKBHKBYKS-RGVLZGJSSA-N	430.490	2.081	50	40	IEGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1	20211156	CPZRRBOBJIOALG-LPYMAVHISA-N	449.529	2.407	50	40	IEGB	
C[C@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(O)c([N+](=O)[O-])c4)c(=O)c23)C1	36074986	KFJFYZQBWCELEZ-SBRBXRRPSA-N	441.469	2.347	50	40	IEGB	
COc1ccccc1N(CC(=O)N/N=C/c1cc(Br)c(C)o1)S(C)(=O)=O	408923646	ZCTXECJYHPNNBQ-GIJQJNRQSA-N	444.307	2.275	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1	9233164	ITAYGFCPHKHAIZ-DHRITJCHSA-N	438.484	2.082	50	40	IEGB	
CCc1sc(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C	9317899	ZKPGODLTSCEZMB-UHFFFAOYSA-N	429.951	2.354	50	40	IEGB	
COCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccc(OC)c(OC)c2)c2ccccc21	9451321	FMTDMHXIUVJMAC-UZYVYHOESA-N	448.479	2.281	50	40	IEGB	
CN(C)c1cccc(C(=O)N/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	16186604	MSWHLGHKIHSWFC-MFKUBSTISA-N	433.512	2.330	50	40	IEGB	
CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1	408644967	JGZCTPXYVHVUMK-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
COc1cccc(OCc2nnc(SCC(=O)NNC(=O)C3CCCCC3)n2C)c1	929219	FBUJDKYZZRXREJ-UHFFFAOYSA-N	433.534	2.223	50	40	IEGB	
COc1ccc(CC(=O)NNC(=O)[C@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)cc1	12851719	ZREZILOMPZDFDV-QZMUEMGWSA-N	445.541	2.000	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OC)c1	409270374	FALHGOISALKIBE-ANDSAHIGSA-N	440.500	2.386	50	40	IEGB	
Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(C)n1-c1ccccc1	2627214	NRPGNNXYGYWKRD-UHFFFAOYSA-N	440.525	2.419	50	40	IEGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	19859300	MOSPXEFWBSWMDP-LJQANCHMSA-N	426.904	2.361	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc(OC)c1OC	20208278	LJEMDKJIEVMIIN-WSDLNYQXSA-N	449.529	2.246	50	40	IEGB	
O=C(NNC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br)c1cccs1	32119124	NBTGTLWBDKMGBX-UHFFFAOYSA-N	429.277	2.368	50	40	IEGB	
C[C@H](NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccccc1	408663805	OEJAJGLVRLPAKV-AWEZNQCLSA-N	431.876	2.302	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1ccc(I)cc1	9425744	FDCIQGDSZUDAEU-UHFFFAOYSA-N	449.314	2.494	50	40	IEGB	
COc1cccc(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(NC(C)=O)cc2)c1	100372557	APXCNDOFEMVAHR-DHRITJCHSA-N	425.445	2.113	50	40	IEGB	
CC(=O)Nc1ccc(-c2nnc(SCC(=O)NNC(=O)Cc3ccccc3)o2)cc1	408639198	WHZXRCQXYYUDTN-UHFFFAOYSA-N	425.470	2.177	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1	409330070	KEIFSMVLBYBDNS-UHFFFAOYSA-N	432.521	2.360	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3cccc(O)c3)nnn2-c2nonc2N)c1	13806617	WCDOCWLMZKAPCZ-FSJBWODESA-N	448.443	2.158	50	40	IEGB	
COc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)c1	408536878	SYALIAMAASYGQJ-BBMHEYIBSA-N	430.420	2.463	50	40	IEGB	
COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)cc1OC	3473071	CMBFHRCNYOORTO-UHFFFAOYSA-N	437.246	2.084	50	40	IEGB	
O=C(COc1cccc2ccccc12)N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	9262071	IXPMTJVQVBKBRM-VQXFCIMOSA-N	446.488	2.385	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccc(C)cc1	9307873	HFKWHFDKOWJDRR-FSJBWODESA-N	446.427	2.091	50	40	IEGB	
CCn1nc(C(=O)NNC(=O)c2cc(C)n(-c3nccs3)c2C)c2ccccc2c1=O	32923071	REPKXUZWCLFNRV-UHFFFAOYSA-N	436.497	2.355	50	40	IEGB	
Cc1ccc(S(=O)(=O)NCc2ccc(/C=N\NC(=O)C(=O)Nc3ccccc3)o2)cc1	408780035	QQQRRVSKVXWBOC-XKZIYDEJSA-N	440.481	2.155	50	40	IEGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)N/N=C/c1ccco1	1529544831	PHGBQHXNYCYANR-AZHVYHFMSA-N	442.497	2.165	50	40	IEGB	
CNS(=O)(=O)c1cccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c1	9514452	IINLYKBSBGVCKR-UHFFFAOYSA-N	430.511	2.101	50	40	IEGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	12993356	VKAPEEFKLRXJQD-UHFFFAOYSA-N	428.448	2.336	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1OCC	20210053	ZIUJEDFMWNZTQE-HYARGMPZSA-N	449.529	2.409	50	40	IEGB	
CC(C)C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccco1	9882501	BUUFDYUMWSVEAA-CQSZACIVSA-N	447.435	2.453	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(C(=O)OC)cc2)S(C)(=O)=O)cc1	408912235	PNMRWQUQFFKRGJ-QQHUYRGFSA-N	447.513	2.177	50	40	IEGB	
CCC(=O)N(C)CCc1cc2c(c(OC)c1/C=N/NC(=O)c1ccccc1O)OCO2	8684727	CRVFULXOCXYPKG-FSJBWODESA-N	427.457	2.304	50	40	IEGB	
O=C1NC[C@@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	72336392	PTJPWELXLPMEHL-CNIHOFJASA-N	430.258	2.158	50	40	IEGB	
O=S(=O)(NCCSSCCNS(=O)(=O)c1ccccc1)c1ccccc1	1561349	NLXIVLQZSVDDOG-UHFFFAOYSA-N	432.614	2.325	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccc(C)cc3)nnn2-c2nonc2N)c1	2419584	IYIWJLPKNLMZDF-FSJBWODESA-N	432.444	2.371	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2cc(Cl)ccc2Cl)c1O	16187112	XKNVTDBZRYRPQC-AWQFTUOYSA-N	446.312	2.478	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1O	19953557	RVRXZGIVDRCVSI-CNRHGSOZSA-N	435.502	2.104	50	40	IEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	28214339	CHMJIPMAPZUKSH-YDZHTSKRSA-N	430.892	2.140	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1cccs1	2616645	FQJSLJKKJDJSCH-UHFFFAOYSA-N	432.487	2.488	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)cc2)ccc1OCC(=O)N1CCOCC1	409011988	POVGHLUALMEGFA-IWIPYMOSSA-N	441.484	2.095	50	40	IEGB	
O=S(=O)(NCCSSCCNS(=O)(=O)c1cccs1)c1cccs1	1561353	IXLZTIIDSLBHLR-UHFFFAOYSA-N	444.672	2.448	50	40	IEGB	
CCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2Br)OCO3)s1	1958395	RNLWGUYWQKGHID-UBKPWBPPSA-N	440.279	2.071	50	40	IEGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O	9845941	RAFMJZIKKZUPEL-LPYMAVHISA-N	441.465	2.319	50	40	IEGB	
COc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)c1	13788327	XQQDFLGOQSXARM-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)NNC(=O)c2ccco2)cc1	72302687	RJMMFZKYQKPJSF-UHFFFAOYSA-N	431.495	2.414	50	40	IEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)O[C@H]3CCCC(=O)[C@H]32)ccc1OCCN1CCOCC1	102701522	HOBDXMMBUUQKFW-MDNUFGMLSA-N	441.528	2.342	50	40	IEGB	
Cc1c(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cccc1[N+](=O)[O-]	28215603	CQPXTJDPUQUMTC-AMAFCZHPSA-N	440.456	2.341	50	40	IEGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)S(C)(=O)=O	408781696	CZXHBPOTEXGADZ-CIAFOILYSA-N	438.937	2.331	50	40	IEGB	
CCOC(=O)C1=C2S[C@@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccccc1Cl	1413661	OYTZXLASSKYRLT-ZFWWWQNUSA-N	447.900	2.413	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1	8768389	BXDDLNCFBWKVHQ-KRWDZBQOSA-N	426.425	2.217	50	40	IEGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cc(-c2ccc(Br)cc2)n[nH]1	21840463	GIMFQFXQZSMYPK-KRWDZBQOSA-N	443.257	2.440	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1Oc1nc(Cl)ncc1F	19851564	RAMWZPKBGJNICX-AUEPDCJTSA-N	437.859	2.242	50	40	IEGB	
CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)c1	138730241	UJDGZIBMEKEYQF-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](C)NC(C)=O	4773960	MRUQREKKEWZUFF-KSSFIOAISA-N	446.375	2.086	50	40	IEGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)=O)c(OC)c1[N+](=O)[O-]	9908298	FIEKHWRQESHDOD-SRZZPIQSSA-N	431.401	2.457	50	40	IEGB	
O=C(COc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	15668222	AENHZRQWXDRHKI-UHFFFAOYSA-N	446.385	2.202	50	40	IEGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c1C#N	16267828	ZNHSAXZEQZDRKJ-ODCIPOBUSA-N	433.262	2.405	50	40	IEGB	
COc1ccc(CCNC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1OC	59515406	JGJQKUJWSPUAJB-WSDLNYQXSA-N	434.290	2.275	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Br)cc1	408534632	MLMXWTOVMCDVGH-NMRNAWEASA-N	447.289	2.048	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl	408780164	UHZZAMFMRPEFPT-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1	408921994	NMDKPKGOPTWTTH-PXLXIMEGSA-N	432.546	2.458	50	40	IEGB	
CCCCOc1ccc(C(=O)NNC(=O)CCN2C(=O)COc3ccccc32)cc1OC	12695419	AURVGRJHLHFVDU-UHFFFAOYSA-N	441.484	2.451	50	40	IEGB	
COc1ccc(OC)c(N2C(=O)/C(=C/NNC(=O)c3ccccc3)C(O)=NC2=S)c1	13809888	NBLDIUKZOBNLFP-SDNWHVSQSA-N	426.454	2.110	50	40	IEGB	
Cc1c(C(=O)NNC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cnn1-c1ccccc1F	58441194	NLQGFGUMLPMGIB-UHFFFAOYSA-N	446.442	2.051	50	40	IEGB	
COc1ccc2c3c1O[C@@]1(C)[C@H](OS(C)(=O)=O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393447	PLEJCHVAAIVYOT-ACTXYHSCSA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
CCOc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)c(OC)c3)c(C)c(C#N)c2=O)cc1	409056389	RDGZDRCUMRZRQI-MXAYSNPKSA-N	447.451	2.289	50	40	IEGB	
Cc1ccc(SCc2c(C(=O)N/N=C/c3ccc(C)o3)nnn2-c2nonc2N)cc1	2450565	BTRGMZQPZJURGT-ZVBGSRNCSA-N	438.473	2.499	50	40	IEGB	
O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NNC(=O)c1cccs1	10021941	RYTZKNUHUQFAPZ-UHFFFAOYSA-N	434.429	2.142	50	40	IEGB	
CCOc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@@H]4[C@@H](Br)[C@@H]2C[C@@H]43)cc1	408689162	XRVVLQCATKKUFS-SPGVSREJSA-N	438.274	2.138	50	40	IEGB	
Cc1ccc(N2C(=O)[C@H](/C=C(\C#N)C(=O)NCc3ccccc3)C(=O)NC2=S)cc1C	408747417	NPPROFVAOLKQLN-GTENMVSRSA-N	432.505	2.434	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C)c(OCC)c1	409162402	DOWJFPRKMXMJTO-AFUMVMLFSA-N	440.500	2.388	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1	409167318	IEDRKCVMAZTDOK-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OCC(N)=O	809447	WSRBXVZQLLZQMH-GOSISDBHSA-N	435.415	2.307	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	59920795	WSHYWGKDPHHLSN-HZHRSRAPSA-N	443.525	2.333	50	40	IEGB	
Cc1ccc(N2C(=O)[C@@H](/C=C(\C#N)C(=O)NCc3ccccc3)C(=O)NC2=S)cc1C	408747418	NPPROFVAOLKQLN-OXRZLYTFSA-N	432.505	2.434	50	40	IEGB	
O=C(CCc1nc(-c2ccccc2)no1)NNC(=S)NCc1ccc2c(c1)OCO2	22617725	COGNZDJDCICOLK-UHFFFAOYSA-N	425.470	2.093	50	40	IEGB	
O=C(C[C@H]1NC(Cc2ccccc2)=NNC1=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	2257293	AUQZICKIXXNOLR-OAHLLOKOSA-N	449.298	2.180	50	40	IEGB	
O=C(COc1ccccc1F)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	3425005	JAJNCFCPBRXSIT-UHFFFAOYSA-N	449.504	2.230	50	40	IEGB	
Cn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1	3455101	UNLKDRQMAUTUOG-UHFFFAOYSA-N	447.318	2.193	50	40	IEGB	
COc1ccc2c3c1O[C@]1(C)[C@@H](OS(C)(=O)=O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393450	PLEJCHVAAIVYOT-YMHOJLSTSA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@H]([C@H]5C(=O)OC(=O)[C@H]45)[C@@H]32)c1O	100872020	SPEHUXFIJAAOEY-ZYCNDLAGSA-N	431.491	2.339	50	40	IEGB	
Cc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1	408537530	WALMXJQDNOXEOZ-SZMVHAFZSA-N	449.467	2.204	50	40	IEGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)c(OC)c2)c(OC)c1	408865058	BISMYHMYZRGGIT-LZYBPNLTSA-N	426.425	2.399	50	40	IEGB	
Cc1ncc(CO)c(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)c1O	3538398	QCXQXWOFHPJOIH-RPPGKUMJSA-N	443.463	2.110	50	40	IEGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)CC1	4048223	WNNPHJRHYRZVIQ-PCLIKHOPSA-N	432.480	2.353	50	40	IEGB	
COc1ccc2nc(NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1	9381807	UHANEXMVSIAYBA-UHFFFAOYSA-N	448.526	2.083	50	40	IEGB	
CN1CCN(c2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3n2C)CC1	9292457	BFMJVSFUQXPAMQ-BMRADRMJSA-N	425.496	2.397	50	40	IEGB	
COc1ccc(C(=O)/C=C(\O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	13809817	XHVPHMQZMWZCCJ-JWGURIENSA-N	446.459	2.403	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2Cl)cc1OC	16187169	BRQJXAPADGIECY-RGVLZGJSSA-N	425.894	2.128	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)cc1OC	20211414	RINGRHTVKOQQHS-UDWIEESQSA-N	437.543	2.342	50	40	IEGB	
CCc1sc(C(=O)NNC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1C	24094536	AXCSINHVQXAHOU-UHFFFAOYSA-N	429.951	2.500	50	40	IEGB	
NC(=O)CN1C(=O)/C(=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	100421880	CWNBCRWEHFASOL-NMKIMWHLSA-N	438.487	2.345	50	40	IEGB	
CN1C(=O)/C(=N/NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc21	409328862	BQGNIEYWIFIFJG-YYDJUVGSSA-N	448.504	2.379	50	40	IEGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1	409379344	WIJBCZCBFGIMOX-USNOLKROSA-N	433.464	2.152	50	40	IEGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)c2c(C)nnn2-c2nonc2N)cc1	2542017	VTIGLORSLKZQRI-FOKLQQMPSA-N	432.444	2.192	50	40	IEGB	
COc1cc(OC)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl	101310268	UFBGKAQFHPNBKZ-ILLFJUAXSA-N	439.342	2.197	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	409159571	NRZMQQSDGSCZNS-RPPGKUMJSA-N	448.401	2.475	50	40	IEGB	
O=C(COC(=O)c1cc(Br)ccc1O)NNC(=O)c1ccc(Cl)cc1	8883417	RBWIGIMVIXENMW-UHFFFAOYSA-N	427.638	2.426	50	40	IEGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCc1nc2ccccc2s1	9442354	HVWQJTGVHIYBME-UHFFFAOYSA-N	431.543	2.292	50	40	IEGB	
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)CC2=O)cc1	15384816	AMJPHGPRVLWYLL-CABCVRRESA-N	429.448	2.192	50	40	IEGB	
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	408688370	WCZLHXHKAPXZHU-QPOISQFYSA-N	438.274	2.138	50	40	IEGB	
NNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	4901195	UOFNQHCSYUXTKU-LJQANCHMSA-N	428.489	2.368	50	40	IEGB	
Cc1ccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	408530012	DOCPRDFNUNXDCM-SBUZPKSBSA-N	443.257	2.372	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OCC)cc1	409174194	LXSMPYSLCJRPNE-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
COC(=O)[C@H]1C(=O)NC(SCc2nnnn2C2CC2)=C(C#N)[C@H]1c1ccccc1Cl	12738407	RWSAIWQUNRCQPW-HZPDHXFCSA-N	444.904	2.333	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)ccc1O	19955111	TZWBOAYQIKBQRR-LPYMAVHISA-N	427.482	2.470	50	40	IEGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1[N+](=O)[O-]	28215723	JQLOQKGLZFQBHJ-OGBFJMLUSA-N	440.456	2.341	50	40	IEGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F	101311671	ATRHMOACZYPPBV-SJZWRUIUSA-N	441.731	2.428	50	40	IEGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)cc1CN1CCOCC1	17099512	MYRHHDWFRKAWRC-VXLYETTFSA-N	435.480	2.479	50	40	IEGB	
NC(=O)Cn1cc(/C=N\NC(=O)COc2cccc(Br)c2)c2ccccc21	34846978	OZBQMRKOGKJUTR-AFPJDJCSSA-N	429.274	2.418	50	40	IEGB	
O=C(COC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O)NNC(=O)c1ccccc1Br	101852180	BYKNPLGZIYWYAB-RYUDHWBXSA-N	437.290	2.149	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1	408786578	SPNJSXHQRCDFSK-SRZZPIQSSA-N	437.905	2.351	50	40	IEGB	
Nc1cc(N)c(C(=O)CI)cc1C(=O)CI	4235288	QUHLZDYSTAEPPD-UHFFFAOYSA-N	444.010	2.086	50	40	IEGB	biogenic
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@H]1OS(C)(=O)=O	263597740	HCVLSAYBYNJZIU-AGIUHOORSA-N	443.602	2.063	50	40	IEGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409025621	UZGSOZJWWOMOGM-XSFVSMFZSA-N	434.474	2.300	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)ccc1O	409056057	MDXVEPXYDLVCHC-MXAYSNPKSA-N	447.451	2.289	50	40	IEGB	
COc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC(N)=O)cc1OC	409327144	QICJGUUCMFKTIF-NKVSQWTQSA-N	436.262	2.094	50	40	IEGB	
Cc1cccc2c(=O)n(CC(=O)NNC(=O)[C@@H](C)Oc3ccc4ccccc4c3)cnc12	18053410	PDSWTEZNXSKIRZ-MRXNPFEDSA-N	430.464	2.473	50	40	IEGB	
O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccccc1	19313605	MVTKOSAZMXSOKZ-PYCFMQQDSA-N	443.301	2.220	50	40	IEGB	
CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1O	16693280	BMAVXANNBNZUOC-RGVLZGJSSA-N	425.894	2.215	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1	19953525	ZGASFWAICJJTIQ-CNRHGSOZSA-N	435.502	2.017	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1cccc([N+](=O)[O-])c1	408730139	FSEJRXDDCLXWNI-KEBDBYFISA-N	444.860	3.045	50	40	IEGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1	27527995	SXMHLCFXXQKJEF-SRZZPIQSSA-N	433.555	2.406	50	40	IEGB	
Cc1cccc(C)c1OCC(=O)NNC(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1	40140680	PPGQQKRRCDOCHV-UHFFFAOYSA-N	426.448	2.147	50	40	IEGB	
O=C1C[C@@H]2OCC=C3C[N+]4(SS(=O)(=O)O)CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]64	103835940	YIBDMWHJIAVDKG-LCMDYWDNSA-O	447.558	2.058	50	40	IEGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	3395730	AJTUPZQNHCEPLN-UHFFFAOYSA-N	445.541	2.400	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](C)NS(=O)(=O)/C=C/c1ccccc1	9882433	JIAPZASUJXCCAO-NHAQELONSA-N	437.905	2.088	50	40	IEGB	
Cc1ccc2[nH]c(C(=O)NNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2c1	12941275	VQWAPROFRMQNFY-UHFFFAOYSA-N	426.498	2.336	50	40	IEGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2Cl)c1	39986657	ZCKAFHPIQCFFQZ-JAIQZWGSSA-N	425.894	2.128	50	40	IEGB	
Cn1c(=O)[nH]c(=O)c2c1nc(SCCOCCCl)n2Cc1ccccc1Cl	10103116	VBJKXNPZPGRNPI-UHFFFAOYSA-N	429.329	2.473	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(C)c1C	13942557	LXUWDBQRAUUVTD-WYMPLXKRSA-N	438.484	2.058	50	40	IEGB	
Cc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)c2cnn(Cc3cccs3)c2n1	32909572	PWEZILJBPTYOPD-IBGZPJMESA-N	449.492	2.451	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1	107814149	YTYPINKMVGUNTF-ANKPHQHTSA-N	429.230	2.064	50	40	IEGB	
CCOC(=O)CNC(=O)[C@@H](CSSC(=O)OC)NC(=O)OCc1ccccc1	8642436	ZOAACMCSCUELCX-CYBMUJFWSA-N	430.504	2.109	50	40	IEGB	
Cc1oc(/C=N/NC(=O)CN(c2ccccc2F)S(C)(=O)=O)cc1Br	15231248	YVJIDVIUYRGUCI-QGMBQPNBSA-N	432.271	2.406	50	40	IEGB	
COCCNC(=O)Cn1cc(/C=C(\C#N)C(=O)NC2CC2)c2cc(Br)ccc21	59087243	FAZLLFXXRWSONR-MDWZMJQESA-N	445.317	2.352	50	40	IEGB	
CCOC(=O)CC1=C(C(=O)OCC)[C@@H](c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O1	3653508	IOXJACJFBTUQPH-IBGZPJMESA-N	446.456	2.290	50	40	IEGB	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3	6166231	KACPVIRGCJSWHE-NSHDSACASA-N	435.509	2.364	50	40	IEGB	
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	8756487	KNYXRCCEBSPVCH-UHFFFAOYSA-N	434.162	2.352	50	40	IEGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cc(Br)cc([N+](=O)[O-])c1O	4090278	QPSJUUHMOPSXMF-KPSZGOFPSA-N	437.206	2.354	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2)cc1	58873763	UKOFTZAHTVPHQI-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cn[nH]c1-c1ccccc1	2070739	AEHKDSZVQJESMK-AUEPDCJTSA-N	427.428	2.209	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccc(O)cc2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	12658684	MQYKWQGGERPTQD-KUGFSFKLSA-N	441.484	2.179	50	40	IEGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1	28808559	RSZQEOKIPTYYEY-AWEZNQCLSA-N	429.860	2.006	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@H]1[C@H]1[C@@H](OCC)CC(C#N)=C[C@]12C(=O)OCC	100643632	JSGWTFQNBMFHIF-PYWOCQGFSA-N	444.484	2.185	50	40	IEGB	
Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	139066261	JGAQLJAMQBATMH-OAHLLOKOSA-N	443.887	2.314	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)c1OCc1ccc(F)cc1	408609974	MGNSPURRWJQCQB-SAMQYFKISA-N	429.448	2.159	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1cccc(Br)c1	408741675	RMQBWQGXKGGNQX-ANKPHQHTSA-N	445.298	2.229	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccco3)nnn2-c2nonc2N)cc1	13806168	PEMULAXUBGAGBL-WSDLNYQXSA-N	436.432	2.435	50	40	IEGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	15223271	XVJIBTPKXNGEBK-VULFUBBASA-N	446.463	2.219	50	40	IEGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])c(C)c(C#N)c1=O	409066212	MIIOBCDUOQWEEV-FMCGGJTJSA-N	432.396	2.093	50	40	IEGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OCC(=O)O	14921746	WSJCJVKRXSZZQZ-AWQFTUOYSA-N	437.246	2.450	50	40	IEGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	408590278	OMWSMQHKPICSOD-UDWIEESQSA-N	429.389	2.112	50	40	IEGB	
C[C@H](NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1	408648439	YBYKFKRPBRDXCK-AWEZNQCLSA-N	431.876	2.302	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccnc2)ccc1OCC(=O)N1CCOCC1	409161916	WWVKKSRFORTYTC-LDADJPATSA-N	436.468	2.264	50	40	IEGB	
CCc1cc(C(=O)NNC(=O)CSc2nnnn2-c2ccccc2OC)sc1C	9669958	XBFVIRPQGXNGAG-UHFFFAOYSA-N	432.531	2.157	50	40	IEGB	
COc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3C)n2)cc(Br)c1O	408989320	TYJOXEQHJGASQR-AWQFTUOYSA-N	445.277	2.276	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1	409165300	WBJAASUIVOIZBD-OPEKNORGSA-N	436.390	2.309	50	40	IEGB	
CCOc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)c2)cc1	409252576	UAFSAZZSOHKRCT-GCMSVZMUSA-N	440.500	2.468	50	40	IEGB	
Cn1c(N)c(C(=O)CCCc2ccc(N(CCCl)CCCl)cc2)c(=O)n(C)c1=O	1674522	HZDQKWMVWQDSDE-UHFFFAOYSA-N	441.359	2.156	50	40	IEGB	
CCc1ccc(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)o2)cc1	33523264	XTGJAKGYUOQRRO-UHFFFAOYSA-N	446.573	2.252	50	40	IEGB	
O=C(O)[C@H]1[C@H]2C[C@@H]3[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1[C@@H]1c4sc(=O)[nH]c4S[C@@H]2[C@@H]13	100944552	KSKYMHXYFVXPIQ-QTAZGGKBSA-N	446.462	2.453	50	40	IEGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cc1OC	12692440	UMCCPRUAKGOZEW-UHFFFAOYSA-N	449.529	2.199	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(F)cc1	409159813	VBAZGSSBGXWWFX-BRJLIKDPSA-N	444.463	2.074	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)N[C@@H](C)CC)cc2)cc1	409259555	APRXMUXCJFDJOL-GCMSVZMUSA-N	440.500	2.468	50	40	IEGB	
Cc1cc(C)n2c(SCC(=O)NNC(=O)c3ccc(Br)cc3)nnc2n1	2625324	LDZHNVLBGAEXEW-UHFFFAOYSA-N	435.307	2.057	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=O)CSc2ncnc3c2cnn3-c2ccccc2)cc1	12493926	RQHCUBMIDDAEIF-UHFFFAOYSA-N	448.508	2.442	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O[C@H](C)C(=O)O	15944744	VSOSVKACNGBIJC-SRRANQMSSA-N	431.401	2.375	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1	408923102	FIXOQFJKPFVXJJ-QQHUYRGFSA-N	449.529	2.407	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409027782	RKUBABLRHVBLOY-KGENOOAVSA-N	447.517	2.357	50	40	IEGB	
COc1cc(/C=N\NC(=O)Cc2ccc3c(c2)OCCO3)cc(Cl)c1OCC(=O)O	409366504	VJEZYPKXYKVFKM-YVNNLAQVSA-N	434.832	2.276	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(F)(F)F	102675972	CKXUAVRANRAYPB-IGVUGNCQSA-N	439.415	2.397	50	40	IEGB	
CCOC(=O)COc1c(I)cc(/C=N/NC(C)=O)cc1OCC	409015442	ZTTUZAZOSRFBTO-CAOOACKPSA-N	434.230	2.102	50	40	IEGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1cc(OC)ccc1OC)c1ccc(OC)cc1	59490258	KMYITPQXXRQSSC-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)C(=O)N1CCOCC1	408761619	HHACDRXQMPXLHA-FOWTUZBSSA-N	443.437	2.128	50	40	IEGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	408905647	BWMWVOMAMHLAJM-QLPFJNHISA-N	444.444	2.420	50	40	IEGB	
CCc1nc2ccccc2n1CC(=O)NNC(=O)CSc1ccc2c(c1)OCCO2	9219980	MXXKFKNEVNMFTH-UHFFFAOYSA-N	426.498	2.310	50	40	IEGB	
CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)cc1OC	33660534	LHWGBWWFMQBBEK-XKZIYDEJSA-N	449.529	2.182	50	40	IEGB	
NC(=O)CSc1ccccc1C(=O)NNC(=O)c1ccc(F)cc1Br	84500201	LTYSCCYZJRYFJO-UHFFFAOYSA-N	426.267	2.240	50	40	IEGB	
CN(c1ccccc1C(=O)NNC(=O)COc1ccc(C(C)(C)C)cc1)S(C)(=O)=O	40040341	LYJZTVMCGZDOJJ-UHFFFAOYSA-N	433.530	2.220	50	40	IEGB	
C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	408655751	LZUDTGNIBODSSN-GDBMZVCRSA-N	443.887	2.254	50	40	IEGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(OCC(=O)N3CCOCC3)cc2)c1	409011643	GXBBTIGZHFPVHS-MYYYXRDXSA-N	439.512	2.324	50	40	IEGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1	409021214	ZDAYVTZGMRSFGI-QRVIBDJDSA-N	431.876	2.107	50	40	IEGB	
CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@@H]1c1ccccc1Cl	1413659	OYTZXLASSKYRLT-HIFRSBDPSA-N	447.900	2.413	50	40	IEGB	
O=C(COc1cccc2ccccc12)N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccccc2)C1=O	9262067	IXPMTJVQVBKBRM-QJTDOHDFSA-N	446.488	2.385	50	40	IEGB	
COc1ccc(CCNC(=O)C/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	16137092	QYMBNNJBLVVUOC-OEAKJJBVSA-N	428.445	2.467	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1	20211908	HOHRNEUSFQEKPH-DJKKODMXSA-N	428.829	2.304	50	40	IEGB	
C[C@@H](C(=O)N/N=C/c1ccc(OC2CSC2)cc1)N(c1ccccc1)S(C)(=O)=O	408907176	MAGOWGCFJBHCSS-NGZBARDMSA-N	433.555	2.486	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OC)c1	409173247	OEKZOBSYVWWFCO-DHRITJCHSA-N	444.463	2.218	50	40	IEGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1cccc(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	3116183	NJZMAVASHNWWOW-FSJBWODESA-N	436.380	2.287	50	40	IEGB	
COC(=O)CN1C(=O)/C(=N/NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc21	9232782	LHXFVQOLCCCSAP-PTGBLXJZSA-N	436.251	2.412	50	40	IEGB	
Cc1cccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(Br)cc3)C2=O)c1	408531913	HNNRWHDUHPIQMN-LKKXKRCMSA-N	443.257	2.372	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)cc1	409151852	CLUVNAVZZCIITG-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(Br)cc2)c1	409157460	MTIXGFVYLLSYJA-SSDVNMTOSA-N	447.289	2.053	50	40	IEGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1	409257723	RZQQCSLYXKFIBD-MFKUBSTISA-N	440.500	2.086	50	40	IEGB	
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	408655755	LZUDTGNIBODSSN-HOCLYGCPSA-N	443.887	2.254	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1OC	408971129	MUEIRURQIWGVQI-OEAKJJBVSA-N	449.504	2.394	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CC(=O)CNC(=O)c2ccccc2Br)cc1	8871566	XEFFWVTULIWRCM-SSDVNMTOSA-N	432.274	2.297	50	40	IEGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(C(=O)O)cc3)CC2)c1	8875105	GUUZNFMVOQXSOI-ZVHZXABRSA-N	439.468	2.405	50	40	IEGB	
O=C(CSc1ncnc2c1cnn2-c1ccccc1)NNC(=O)c1ccc([N+](=O)[O-])cc1	12949425	BUWUOEFGZGMXAA-UHFFFAOYSA-N	449.452	2.277	50	40	IEGB	
O=C(CN1CCN(Cc2ccccc2)CC1)N/N=C\c1cc(Br)ccc1O	32576932	DHCLBERZVVRAGZ-XKZIYDEJSA-N	431.334	2.423	50	40	IEGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	408790591	SNECKAGDLVFQDE-KGENOOAVSA-N	435.502	2.019	50	40	IEGB	
CC1(C)Cc2c(c(N3CCOCC3)nc3sc(-c4ccc(C(=O)NN)o4)c(N)c23)CO1	3635311	LFXPDTZCABXDMW-UHFFFAOYSA-N	443.529	2.430	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2nc(C)cc(COC)c2C#N)c(O)c1	5261339	SKOGEURAYOHDAK-WYMPLXKRSA-N	425.489	2.489	50	40	IEGB	
COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@@H]2C)OCO4)cc(OC)c1OC	5956849	SERDXPHPXCGFFY-COSYQWLLSA-N	431.445	2.101	50	40	IEGB	
CCOC(=O)C1=c2s/c(=C/c3ccsc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccsc1	8448676	FGDSHTCKEBYXOR-KEQVLUGWSA-N	441.559	2.024	50	40	IEGB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc12	9402778	ZGWQYLYCPCNWED-GJZGRUSLSA-N	446.456	2.335	50	40	IEGB	biogenic
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(S(=O)(=O)N2CCCC2)cc1	13068264	FILOVBFNHYYMMX-QCBCRBAMSA-N	429.498	2.151	50	40	IEGB	
Cc1ccc(Cn2cc(C(=O)NNC(=O)C(=O)NC3CC3)c(-c3ccc(C)cc3)n2)cc1	32747603	JYDUUDMOXBIMJG-UHFFFAOYSA-N	431.496	2.255	50	40	IEGB	
Nc1ccc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccccc3)C3=C(CC=CC3)C2=O)cc1	101181419	HFUWZSWGNGQOCC-OOAXWGSJSA-N	448.504	2.446	50	40	IEGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc4c(c3)OCO4)s2)cc1	1952493	QKZMONLJHUSSTE-UFFVCSGVSA-N	439.453	2.221	50	40	IEGB	
O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)NNC(=O)C1=COCCO1	12691009	YXNUTACVZDAPNW-UHFFFAOYSA-N	442.859	2.304	50	40	IEGB	
O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)c1cc2c(s1)CCCCC2	24473586	KWGIBZLBBIULEW-UHFFFAOYSA-N	439.534	2.286	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	408778083	AJVUVFWNAOPXQO-XSFVSMFZSA-N	434.474	2.300	50	40	IEGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)NCCCOC)cc1Br	408805484	KPKPFCYNMOKDSF-NTEUORMPSA-N	425.279	2.451	50	40	IEGB	
COc1cc(/C=N\NC(=O)N/N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	31719662	JSXHJCRNJNANRQ-IHKZTNIUSA-N	446.460	2.405	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccccc2F)C1=O)c1ccc(Br)cc1	408535675	OKMYELKXSMWJMX-PITUFAOZSA-N	447.220	2.203	50	40	IEGB	
COc1ccc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OC)c3O)CC2)cc1OC	409004162	AVOXCNNEBJHWIK-ZVHZXABRSA-N	441.484	2.421	50	40	IEGB	
CCOC(=O)NNC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1	9585087	MYIHNAKIXFXAGH-UHFFFAOYSA-N	441.893	2.218	50	40	IEGB	
N=C(COc1cccc(C(F)(F)F)c1)NNC(=O)COc1ncn(-c2ccccc2)n1	3070003	AMXYNJPWGUIICY-UHFFFAOYSA-N	434.378	2.342	50	40	IEGB	
Cn1c(CNc2ccc(F)cc2)nnc1SCC(=O)NNC(=O)Cc1ccccc1	13151440	RYYQNCQMLJQVQE-UHFFFAOYSA-N	428.493	2.049	50	40	IEGB	
O=C(NNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F)c1ccccc1	14201174	NFGVVGFAZQRHIE-IBGZPJMESA-N	441.484	2.177	50	40	IEGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	19859294	NJBDPAQJOSNWNJ-LJQANCHMSA-N	426.904	2.361	50	40	IEGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2ccc(Br)cc2)CC1	59434032	WLSGWFHXQYKIJC-HYARGMPZSA-N	445.317	2.257	50	40	IEGB	
Cc1ccc2[nH]c(C)c(CC(=O)NNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)c2c1	24541418	IIJYVULBAHUKKV-UHFFFAOYSA-N	428.514	2.039	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)ccc1OCC(=O)OC	409251198	OTYJUNUZNZGRGN-UFFVCSGVSA-N	432.502	2.286	50	40	IEGB	
C#CCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2cc(Br)ccc21	8836906	SOLZAYDKZYXSKG-CZEALIGGSA-N	440.253	2.089	50	40	IEGB	
COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2O)cc1	12536062	DKOOLHXMDMXMME-UHFFFAOYSA-N	441.465	2.276	50	40	IEGB	
O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)NNC(=O)c1ccco1	13150650	FKFXNJGFTKECIX-UHFFFAOYSA-N	436.394	2.141	50	40	IEGB	
CCOC(=O)/C(C#N)=C/c1cc(I)c(OCC(=O)O)c(OC)c1	408846829	ZGZBCXVFZPSINF-ONNFQVAWSA-N	431.182	2.233	50	40	IEGB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccc(B(O)O)cc2)n1	585294663	TWIOKTXVUQAUEX-JOCHJYFZSA-N	428.305	2.202	50	40	IEGB	
O=C(NNC(=S)Nc1ccc(Br)cc1F)[C@@H]1CC(c2cccnc2)=NO1	8873496	HNSIPJTXMNWZQP-AWEZNQCLSA-N	438.282	2.494	50	40	IEGB	
CCOc1ccc(S(=O)(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)cc1OCC	12549989	MKPYLYLEPPNIPT-UHFFFAOYSA-N	448.476	2.432	50	40	IEGB	
Cn1cnnc1SCc1ccc(C(=O)NNS(=O)(=O)c2ccccc2Cl)cc1	12805352	LRNYKNUJQZPCLY-UHFFFAOYSA-N	437.934	2.384	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	19953720	HTRWLRGQHIECSS-WXUSHSQQSA-N	449.529	2.407	50	40	IEGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(=O)N/N=C/c1ccc(O)cc1O	23170868	LYRQKKFGVDRYGG-RHTPEETPSA-N	426.256	2.438	50	40	IEGB	
O=C(NNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccc2c(c1)OCO2	26689508	UJTNSSRPYSFHIN-LJQANCHMSA-N	431.448	2.218	50	40	IEGB	
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)NNC(=O)Cc1ccc(F)cc1	32194853	KYABBADDULZCLK-UHFFFAOYSA-N	428.489	2.256	50	40	IEGB	
Cc1ccc(NC(=O)NNC(=O)CCCC(=O)NNC(=O)Nc2ccc(C)cc2)cc1	104081914	KEKXAMHUKQJYTH-UHFFFAOYSA-N	426.477	2.479	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(I)c1O	408810682	JKPQWXGHSCQDIZ-KPKJPENVSA-N	430.242	2.455	50	40	IEGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1	2110819	AOYSXKVYUHIENY-RGVLZGJSSA-N	443.441	2.168	50	40	IEGB	
Nc1nonc1-n1nnc(CN2CCCCC2)c1C(=O)N/N=C/c1cccc2ccccc12	2520769	GKAKDZNUMOLTJL-ZMOGYAJESA-N	445.487	2.136	50	40	IEGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)C3CCCCC3)cc2)cc1	9507105	JKGWAVIOLWFDHR-UHFFFAOYSA-N	434.496	2.448	50	40	IEGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c1	12798493	KLQXESZXFDYQIJ-UHFFFAOYSA-N	439.921	2.047	50	40	IEGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1	408615318	OUOQRGRJPSSPNZ-GFCCVEGCSA-N	447.245	2.171	50	40	IEGB	
CC1CCN(c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2[N+](=O)[O-])CC1	9220720	NCUSYJAWVKQFOH-FQEVSTJZSA-N	440.456	2.432	50	40	IEGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c1C	12973632	UZLAEBGUSZNAPK-IAGOWNOFSA-N	425.485	2.422	50	40	IEGB	
COc1cccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1O	408857495	HFIPOZKZVBTUHM-SVZNOHIVSA-N	437.905	2.358	50	40	IEGB	
Cn1c(SCC(=O)NNC(=O)c2ccc(Br)cc2)nnc1-c1cccnc1	877851	RRZPQZLGFWGHMY-UHFFFAOYSA-N	447.318	2.193	50	40	IEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C[C@H](O)COCc2ccccc2)CC1	33516474	BKUFLSGDQZEVAA-YQNSVDCASA-N	440.500	2.335	50	40	IEGB	
O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccccc1	138988158	OIXRFTVUQJWRGB-GOSISDBHSA-N	431.448	2.197	50	40	IEGB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc(O)cc1	8820325	OAVDRVIJSZLRJQ-RVDMUPIBSA-N	431.495	2.428	50	40	IEGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)N/N=C/c1cc(OC)c(OC)cc1OC	17106844	COBHFOZCUGMGOE-NQRIEWMKSA-N	446.460	2.405	50	40	IEGB	
COc1cc(C(=O)NNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1OCCC(C)C	39976170	DGKWSXFDTGIHPI-YCRPNKLZSA-N	435.546	2.335	50	40	IEGB	
Cc1cc(OCC(=O)NNC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc(C)c1Cl	1750147	VULSAWMDDIVTQX-CYBMUJFWSA-N	429.860	2.168	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=O)COc2ccc([N+](=O)[O-])cc2)c(Br)c1	2134568	XWZKTRVGNZFISR-UHFFFAOYSA-N	438.234	2.271	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)CC2)cc1	3095347	DUKXALBYQVWGCC-KGENOOAVSA-N	430.486	2.454	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OC)c1	409175648	UEJOPEUYUMSXLK-WYMPLXKRSA-N	444.875	2.118	50	40	IEGB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)[C@@H](C)Oc2ccccc2F)c1	9316909	RZTRGZOJKRTNLJ-CQSZACIVSA-N	444.492	2.125	50	40	IEGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1ccc(OC)cc1OC)c1ccc(OC)cc1	59490257	IEWBYTFDPMEHCJ-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
Cc1nc(-c2ccc(CNC(=O)NNC(=O)c3csc(N4CCOCC4)n3)o2)cs1	9582631	YODFMLMAPVVLFM-UHFFFAOYSA-N	448.530	2.149	50	40	IEGB	
CCOc1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	408666742	PDZPZBWSJKJCMY-UHFFFAOYSA-N	427.457	2.199	50	40	IEGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1ccccc1Cl	9255695	ZELSWMRRHXZEIW-IAGOWNOFSA-N	433.917	2.433	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1	60512720	OCWDPJFHVVEDTF-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
COc1cc(/C=N\NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc(Cl)c1O	111436450	WSSXQMPRLBJFLL-UYOCIXKTSA-N	441.835	2.186	50	40	IEGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br)Nc1ccc(Cl)cc1	408686837	SIOBVAQSVBZVSA-ORIIPUBOSA-N	428.666	2.393	50	40	IEGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)c1	408968274	XSSFVPISFLMSFH-OYKKKHCWSA-N	440.525	2.443	50	40	IEGB	
O=C(COc1ccc(C(=O)c2ccccc2)cc1)NNC(=O)[C@H]1COc2ccccc2O1	2627608	MUWNCIUFJSSEMH-OAQYLSRUSA-N	432.432	2.284	50	40	IEGB	
C[C@H]1CCCN(c2ccc(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)cc2[N+](=O)[O-])C1	9884096	OFWUNYKKFNQZBH-XOBRGWDASA-N	440.456	2.432	50	40	IEGB	
OC[C@@H](Br)[C@@H](Br)C[C@@H](Br)[C@H](Br)CO	101018038	YTBNGPBJPSPRCD-XZBKPIIZSA-N	447.787	2.415	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(C)c(Cl)c1	409164460	ITPDFASMECGXGQ-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(F)(F)F	9423955	CKXUAVRANRAYPB-CJAAZZPWSA-N	439.415	2.397	50	40	IEGB	
CN1C(=O)c2ccc(C(=O)NNC(=O)COc3ccccc3-c3ccccc3)cc2C1=O	12770010	PRRQHEJHMJPGOZ-UHFFFAOYSA-N	429.432	2.419	50	40	IEGB	
Cc1cc(N2CCN(CC(=O)NNC(=O)c3ccccc3Cl)CC2)nc(C(C)C)n1	15032596	YEKPLQBKXAEDDG-UHFFFAOYSA-N	430.940	2.145	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	19953545	ZKPRRODTRKWVBZ-CNRHGSOZSA-N	435.502	2.017	50	40	IEGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c1	23109336	MUSFSTYECYKPCI-UHFFFAOYSA-N	425.416	2.128	50	40	IEGB	
CCN1C(=O)/C(=N/NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@@H](C)C4)c2ccccc21	95661427	URPIYSVEOJKEBI-AUNYUDIMSA-N	449.536	2.470	50	40	IEGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)NNC(=O)c2ccccc2Cl)CC1=O	408645955	VFRJAVREDPBWIG-NSHDSACASA-N	432.820	2.071	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccco1	408732708	XRRACZJZWHBRNX-GIJQJNRQSA-N	434.275	2.839	50	40	IEGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)c(Br)c1O	409238037	YUNKVNHJJYMIQG-CLTKARDFSA-N	433.056	2.418	50	40	IEGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(SC)cc2)c1	33737629	PGOQSCNMDCNESJ-NDENLUEZSA-N	437.543	2.197	50	40	IEGB	
NC(=O)N[C@@H](CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1	8826102	JTZSGYGCOMMFJI-HNNXBMFYSA-N	426.864	2.291	50	40	IEGB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc12	9402777	ZGWQYLYCPCNWED-CABCVRRESA-N	446.456	2.335	50	40	IEGB	biogenic
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)(C)C)cc1	58873384	KADLUZVXLZXSOG-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
O=C(N[C@H](C(=O)N/N=C\c1ccc(O)cc1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	85886363	PEMVRHOBWFSSQI-RWFYVVHNSA-N	441.447	2.250	50	40	IEGB	
CC(=O)N(NC(=O)COc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O	100128077	PKZGBHWWCZLOSE-QGZVFWFLSA-N	433.823	2.070	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)c1O	408784958	WGWRBDPJNGGYBP-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N/N=C/c3cc(C#N)n(C)c3C)C2)cc1	3420505	TYHLYKCWHFUIMU-YXUUZYBBSA-N	427.530	2.065	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c1O	19955229	QMCDIQBHLDPOHW-LPYMAVHISA-N	427.482	2.470	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c(OC)c1)S(C)(=O)=O	408778256	RRMNDAOIOWSKQX-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
COc1cc(Br)c([C@@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC	85408665	IXRBPIAZZKPESS-OAHLLOKOSA-N	435.230	2.130	50	40	IEGB	
C[C@H](C(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)n1cnc2ccccc2c1=O	949533	AMZXPVHOGXSSHM-SNVBAGLBSA-N	440.257	2.193	50	40	IEGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(-n2cncn2)cc1	15762771	LUWWBPADBBDQML-LBPRGKRZSA-N	430.262	2.258	50	40	IEGB	
Cc1cc2c(c(=O)n1CCN1CCOCC1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	19859272	IQCKQAHXLURQHJ-IBGZPJMESA-N	426.904	2.361	50	40	IEGB	
O=C(CN1CCCCCC1=O)NNC(=O)Cn1c(COc2ccccc2)nc2ccccc21	25957393	LFWDMPMQWGTQLB-UHFFFAOYSA-N	449.511	2.165	50	40	IEGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5cc([N+](=O)[O-])ccc5O)[C@@H]43)[C@H]12	245241845	QXNADULDDZGURB-LINFNCPDSA-N	446.462	2.238	50	40	IEGB	
O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NNC(=O)c1ccc2ccccc2n1	12907880	OAAMFWJLCIQHLR-UHFFFAOYSA-N	432.461	2.358	50	40	IEGB	
COc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c(OC)c1	408755277	JFDWQMJZDCBZHC-CCULFSDZSA-N	433.530	2.465	50	40	IEGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccccc1)Nc1ccccc1	409151393	BCOJDLZTEXPIRN-WGOQTCKBSA-N	430.464	2.471	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OCC)cc2)c1	409155251	CQMYKFYHFISKHQ-MFKUBSTISA-N	440.500	2.469	50	40	IEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)N1CCCC1	409269605	KQJNFMCHRVMOSC-BUVRLJJBSA-N	438.484	2.175	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N/N=C/c3cc(C#N)n(C)c3C)C2)cc1	12633933	TYHLYKCWHFUIMU-WQGFDPGOSA-N	427.530	2.065	50	40	IEGB	
O=C(N/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	408961494	MPUPOLXQZWQLIF-YDZHTSKRSA-N	435.440	2.172	50	40	IEGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccccc1C(F)(F)F	409248895	HSBDZXXQBPWHJR-OPEKNORGSA-N	448.401	2.452	50	40	IEGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)CCC1	3108895	PJFXAYAKHHBFDB-ADYPVIEZSA-N	438.400	2.274	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccccc1Br	12971830	PMGMTPBGWUKYOW-UHFFFAOYSA-N	437.113	2.173	50	40	IEGB	
O=C(O)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	408964711	ZGJVVFNFMZJAMT-LPYMAVHISA-N	433.461	2.075	50	40	IEGB	
Cc1c(C(=O)NNC(=O)Cn2cc([N+](=O)[O-])cn2)c(-c2ccccc2)nn1-c1ccccc1	2764179	UYOWLMYYDZXAKM-UHFFFAOYSA-N	445.439	2.414	50	40	IEGB	
O=C(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)NNC(=O)c1cnccn1	22782988	AVRSCDIOINCURC-UHFFFAOYSA-N	444.539	2.035	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1cc(C)ccc1C	409160787	XERFAYWXKHDGQE-WYMPLXKRSA-N	440.500	2.304	50	40	IEGB	
CCN(CC)c1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	9293598	UJQZZXDDELIDKS-GEBKJHSDSA-N	427.526	2.312	50	40	IEGB	
CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1ccccc1Br	9376471	OEFMLPOITGCCQO-GOSISDBHSA-N	443.301	2.439	50	40	IEGB	
Cc1cc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)ccc1Br	12897232	KCSUHTIOHZOFTI-UHFFFAOYSA-N	427.276	2.152	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1	19954865	RUXAJRGCQABGFB-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)cc1	408535692	OLLMSIJVCVEZDS-BBMHEYIBSA-N	430.420	2.463	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)c1O	408772427	LPCJVVNNDSBYQF-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1	9423219	RMKHCKRPKDBMAQ-CIKBWMHTSA-N	439.415	2.397	50	40	IEGB	
Cc1ccc2c(c1)S[C@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C2	10124891	LAFJWTBCDSZNHM-IBGZPJMESA-N	445.566	2.258	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C/C=C/c3ccccc3)nnn2-c2nonc2N)c1	13805214	DEKLFMUJGWTEBR-HJEIRYQDSA-N	430.428	2.337	50	40	IEGB	
CN(CC(=O)NNC(=O)/C=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	15902556	PZFHOMWJVZIBCG-NYYWCZLTSA-N	442.324	2.475	50	40	IEGB	
CCNC(=S)NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1	16681749	QVTMXUXZHDBBKW-UHFFFAOYSA-N	443.554	2.002	50	40	IEGB	
COc1c(Br)cc(Br)cc1/C=N/NC(=O)CN1CCOCC1	59246935	LILLNOULMKCFGG-CAOOACKPSA-N	435.116	2.003	50	40	IEGB	
Cc1ccsc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1	9293484	ODGCDUKJGJEFRK-UFFVCSGVSA-N	437.489	2.003	50	40	IEGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	9885201	YFBKAWARSORCHD-LJQANCHMSA-N	426.429	2.186	50	40	IEGB	
Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NC(C)C)c2)c2ccccc2n1	32845118	RYUBSGLVVXNUHD-UHFFFAOYSA-N	426.498	2.305	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	59503028	FULIHASJVWZWEJ-GNUZOCDUSA-N	434.474	2.298	50	40	IEGB	
CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@H](C(=O)O)C(C)C	6077003	AVODXODZUNFBMI-ROUUACIJSA-N	446.375	2.243	50	40	IEGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3cccs3)CC2)cc1OC	408969061	GNTNSXFQLXOVIT-DEDYPNTBSA-N	437.543	2.316	50	40	IEGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1	409268551	VOYUJNKZHIPSKO-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
Cc1cccc(-n2cnc(C(=O)NNS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)n1	1402759	IOFGWSSJNBZDLY-UHFFFAOYSA-N	425.392	2.218	50	40	IEGB	
CCOc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCO2	12907825	BYXUASICMHLOCG-UHFFFAOYSA-N	443.275	2.200	50	40	IEGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c1C	12973635	UZLAEBGUSZNAPK-DLBZAZTESA-N	425.485	2.422	50	40	IEGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1	17576193	JCIICEBKVWUMFX-UHFFFAOYSA-N	429.429	2.407	50	40	IEGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)n(CCCN3CCOCC3)c(=O)c21	19890652	OJRHRQDFZPRAFA-OAQYLSRUSA-N	436.512	2.106	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1	20210721	PQXRIXSBNCYKKT-HZHRSRAPSA-N	446.529	2.350	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc(I)c1O	57606391	FKVDWLJEDSCBCI-CNHKJKLMSA-N	440.193	2.498	50	40	IEGB	
O=C(COc1cccc(F)c1)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12	9885254	INSZCEFRUQTZGC-UHFFFAOYSA-N	432.411	2.365	50	40	IEGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1Cl	20213065	LJQBUHNFVVHSNG-WSDLNYQXSA-N	434.905	2.467	50	40	IEGB	
CCN(CC)c1ccc(/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	27194189	UJQZZXDDELIDKS-LSCADSNKSA-N	427.526	2.312	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(F)cccc1Cl)c1cccc([N+](=O)[O-])c1	409025051	KWFIPJHIHIVFIZ-DJKKODMXSA-N	428.829	2.304	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)c(OC)c1	409156843	OLMKOFUVLCXMLP-WYMPLXKRSA-N	444.875	2.118	50	40	IEGB	
Cc1cc(=O)c(C(=O)NNC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1[N+](=O)[O-]	9442927	SVIVOIUSEKXQHD-UHFFFAOYSA-N	427.804	2.177	50	40	IEGB	
CCOc1ccc(C(=O)NNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1OC	40009630	XCRXJUZDTGTRMV-UHFFFAOYSA-N	428.445	2.086	50	40	IEGB	
COC(=O)CN1C(=O)/C(=N/NC(=O)Cc2ccc(Br)cc2)c2ccccc21	13533906	HHPDHTDIUSMBFZ-RELWKKBWSA-N	430.258	2.032	50	40	IEGB	
C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C/c4ccc(O)c([N+](=O)[O-])c4)c(=O)c23)C1	36074984	KFJFYZQBWCELEZ-CEWLANGVSA-N	441.469	2.347	50	40	IEGB	
O=C(COC(=O)c1ccc(NC(=O)C(F)(F)F)cc1)NNC(=O)c1ccc(Cl)cc1	408648036	WSXUXTCVSUBKPZ-UHFFFAOYSA-N	443.765	2.459	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1OC	22599033	CDCOCWPUEJPYAP-UHFFFAOYSA-N	447.438	2.295	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)N1CCOCC1	409016190	STCZHXQQMLJUOF-HAHDFKILSA-N	426.473	2.479	50	40	IEGB	
CCCc1c(C(=O)N/N=C(\C)c2ccc(Br)cc2)nnn1-c1nonc1N	9498708	CYRLGDUFTNITCZ-DJKKODMXSA-N	433.270	2.102	50	40	IEGB	
CN1CCC(=NNC(=O)CN(c2cc(C(F)(F)F)ccc2Cl)S(C)(=O)=O)CC1	408907494	PGWCSPWUSNONCS-UHFFFAOYSA-N	440.875	2.323	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1C	409163953	AGCOGGNZSVIASK-DHRITJCHSA-N	440.500	2.243	50	40	IEGB	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Br)ccc1OC(C)=O	3081155	OGBMNRNQZZOPET-LSHDLFTRSA-N	448.273	2.263	50	40	IEGB	
CCOc1ccc(C(=O)NNC(=O)C2CCN(C(=O)OCC(F)(F)F)CC2)cc1OC	32906337	YFCVVYRKQRGIOX-UHFFFAOYSA-N	447.410	2.266	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCC(=O)Nc1ccccc1C	408612669	WQKGPROCJGYZIC-AFUMVMLFSA-N	440.500	2.388	50	40	IEGB	
C[C@H](C(=O)N/N=C/c1cccc(OC2CSC2)c1)N(c1ccccc1)S(C)(=O)=O	408908134	UDNMHQPUXUQNMW-VRCTWVPOSA-N	433.555	2.486	50	40	IEGB	
COCCn1c(SCC(=O)NNC(=O)c2ccccc2)nc2cc(Cl)ccc2c1=O	3493928	JXPPDKTUMVSJMN-UHFFFAOYSA-N	446.916	2.250	50	40	IEGB	
O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1ccccc1Cl	8684030	KRJBUTNEBSOVTL-YDZHTSKRSA-N	448.932	2.005	50	40	IEGB	
O=C(C[C@H]1CCS(=O)(=O)C1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	10105113	XGROVNUKLSYRAN-MRXNPFEDSA-N	438.509	2.125	50	40	IEGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1	28808563	RSZQEOKIPTYYEY-CQSZACIVSA-N	429.860	2.006	50	40	IEGB	
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1	408663436	YFTZVZPELYPZRL-INIZCTEOSA-N	443.887	2.260	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1	408926448	TYHYEFANVQZOBY-WXUSHSQQSA-N	447.513	2.161	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1)NCCc1ccccc1	28215070	RIADOEPMHIYRDN-JFLMPSFJSA-N	449.536	2.457	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)Nc1ccccc1	58873552	KGMPADLDHCBZFX-WGOQTCKBSA-N	430.464	2.471	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1O	408752539	BLUQVAAKHKQICQ-KPKJPENVSA-N	428.226	2.161	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(C(F)(F)F)c1	409170911	XDTPPQKVRYBPFO-OPEKNORGSA-N	436.390	2.309	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3F)nnn2-c2nonc2N)cc1	9457133	WDJBUORHTRHSBN-FOKLQQMPSA-N	436.407	2.201	50	40	IEGB	
COc1ccc(/C=N/OCC(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)cc1	100355700	BOYOOQUJKLLWEZ-AWQFTUOYSA-N	431.246	2.281	50	40	IEGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	9885202	YFBKAWARSORCHD-IBGZPJMESA-N	426.429	2.186	50	40	IEGB	
CCOc1ncccc1C(=O)NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1	12525785	QYTFHLXNYCVHNJ-UHFFFAOYSA-N	446.510	2.417	50	40	IEGB	
O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccco1	12630289	ACVBYYZEYWBOFH-UHFFFAOYSA-N	430.398	2.063	50	40	IEGB	
COc1cc(C[C@@H]2CC(C(=O)N/N=C/c3ccc(F)cc3)=NO2)c(OC)c2c1OCO2	15085907	SPOHQHMFLTVWII-GQLBNTDBSA-N	429.404	2.409	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)cc(OC)c1OC	22942832	MBLCYBFCAXBKIF-MFKUBSTISA-N	440.544	2.289	50	40	IEGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCC(=O)N1CCOCC1	20922019	ILDZXSVMKPVVBK-DEDYPNTBSA-N	435.480	2.156	50	40	IEGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1ccccc1O	1774528	BNSFMBGEWHJFOZ-FOWTUZBSSA-N	427.507	2.445	50	40	IEGB	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)c1	9715571	UDAGKPSYZCWBEP-UHFFFAOYSA-N	445.541	2.400	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NNC(=O)Nc3ccccc3F)C2)cc1	12848007	AUEJHUUKWSSGJH-OAHLLOKOSA-N	434.493	2.388	50	40	IEGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c1C	18103863	SDZTVRQMBXIBEG-FDPSAONLSA-N	445.541	2.199	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCCOC)ccc1OCc1ccc(F)cc1	408602393	DHTAHTAIMNSFFV-AFUMVMLFSA-N	431.464	2.406	50	40	IEGB	
Nc1ccc(C(=O)NNC2=C/C(=N/S(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1	101027823	YTIPDAGPVQTCPM-OOAXWGSJSA-N	446.488	2.462	50	40	IEGB	
O=C(NNC(=O)c1cccc2ccccc12)C(=O)NNC(=O)c1cccc2ccccc12	2281949	ZKPWGEAXCNMCLR-UHFFFAOYSA-N	426.432	2.215	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1	17111076	QKOSWEZPEOVXPN-HXUWFJFHSA-N	445.541	2.073	50	40	IEGB	
CCOc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1	408661656	GLBCVVZOWOWUCB-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
Nc1cc(Cl)ccc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	2655566	YKCFELQHPPXFSG-UHFFFAOYSA-N	426.654	2.303	50	40	IEGB	
C=CCOc1ccc(CN(C)C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1	9789923	QKCOGQSYVQOMIH-UHFFFAOYSA-N	431.518	2.031	50	40	IEGB	
O=C(NNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)c1ccc2[nH]cnc2c1	11325085	XAHVUFAGGGVSRV-UHFFFAOYSA-N	438.447	2.396	50	40	IEGB	
O=C(O)[C@H]1[C@H]2C[C@H]3[C@@H]4[C@@H](c5cc([N+](=O)[O-])ccc5OC(=O)[C@H]31)c1sc(=O)[nH]c1S[C@@H]24	100944560	KSKYMHXYFVXPIQ-FCLMICNCSA-N	446.462	2.453	50	40	IEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408854500	GVSQKWCDOXMVDH-XKYMITNMSA-N	426.838	2.145	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)c(OCC)c1	409152147	DKYYNKPVSXCDKV-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	16187165	CZCODYBDULQADJ-SSDVNMTOSA-N	429.420	2.485	50	40	IEGB	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	97230641	HJXWFZVRBGNXQE-JKSBSHDWSA-N	433.505	2.447	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc(NC(C)=O)cc2)S(C)(=O)=O)cc1	408874230	ZKYOSVBWWDORNQ-FVQJWRHTSA-N	446.529	2.349	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccccc3)nnn2-c2nonc2N)cc1	2365853	ZBWYHZCPGXUTRD-YDZHTSKRSA-N	432.444	2.452	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2c(F)cccc2Cl)cc1OC	16186748	ZSJLFVIANZTEGK-UFFVCSGVSA-N	443.884	2.267	50	40	IEGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCc2ccco2)c1	409269603	KPNXHKGOOPEKIP-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3sccc3C)nnn2-c2nonc2N)cc1	2377022	BNIUXNZEHLOYBE-UFFVCSGVSA-N	438.473	2.432	50	40	IEGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1)NCc1ccccc1	409150627	CZBZRZGMKXOYKY-OGLMXYFKSA-N	444.491	2.148	50	40	IEGB	
COc1cc(/C=N/NC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC	1605970	JSXHJCRNJNANRQ-LCHFAGMQSA-N	446.460	2.405	50	40	IEGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1C	408651821	BIAOSNFAGZWNOS-HNNXBMFYSA-N	443.887	2.314	50	40	IEGB	
CCOc1ccc(NC(=O)COc2ccccc2/C=N/NC(=O)C(=O)NCC(C)C)cc1	409162794	HVOPYCBEIPSULS-AFUMVMLFSA-N	440.500	2.325	50	40	IEGB	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cn(Cc3ccccc3)c3ccccc13)C(C#N)=C(N)O2	1299429	SQIFBRRTLRJDHX-HXUWFJFHSA-N	439.475	2.305	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCN(c4cccc(Cl)c4)CC3)nc12	2203880	DXIACZPYUORARS-FOWTUZBSSA-N	448.914	2.375	50	40	IEGB	
CCOc1ccc(/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OCC	2238736	BQFJKAAJTOIGDY-FNTDYBJHSA-N	444.509	2.263	50	40	IEGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CS[C@H](C)C(=O)Nc3cc(C)on3)ccc21	15347869	RPGGRATWRPCQCP-GFCCVEGCSA-N	444.517	2.182	50	40	IEGB	
CCN(CC)CN1C(=O)/C(=N\NC(=O)CO/N=C/c2ccc(OC)cc2)c2ccccc21	18121743	HETOEWXHQWXBDX-FZRHZMRZSA-N	437.500	2.212	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)c(OC)c1OC	5163902	RQFBBLVQEJYREJ-JJIBRWJFSA-N	426.517	2.375	50	40	IEGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3cccnc3)o2)cc1	6245167	PBEFZLQNDJVAGI-WQRHYEAKSA-N	443.463	2.461	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CCc2nc3ccccc3s2)cc1	9507628	OTTPTWLBCNWJIB-UHFFFAOYSA-N	446.554	2.005	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(SC)cc2)cc1OC	16186980	JJTFVIPPHIDLOF-UDWIEESQSA-N	437.543	2.197	50	40	IEGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	23375030	CSAXPHUWRCTNIV-FSJBWODESA-N	438.465	2.156	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OCC(N)=O	809448	WSRBXVZQLLZQMH-SFHVURJKSA-N	435.415	2.307	50	40	IEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	59246380	ICMAMDRGWROISI-VXLYETTFSA-N	437.250	2.400	50	40	IEGB	
O=C(NNC(=O)C1(c2ccc(Br)cc2)CCCCC1)[C@@H]1CCS(=O)(=O)C1	84393217	FCASAOJBQRJCHF-CYBMUJFWSA-N	443.363	2.233	50	40	IEGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(C)(=O)=O	409184576	MFGYWGYGHFGLEZ-HZHRSRAPSA-N	446.529	2.268	50	40	IEGB	
Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccc(F)cc3)cs2)n1	1395165	MIHBVIBKIHKJPX-UHFFFAOYSA-N	449.411	2.418	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)ccc1O	19952654	PLSNWMURPNDANG-YDZHTSKRSA-N	440.481	2.141	50	40	IEGB	
CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNc1nc(C)cc(C)n1	22233424	ZVBQJJGYDUZDPX-JICACKBISA-N	435.575	2.249	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c1	409170763	XRVYXTDMVUXZRY-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
C/C(=N/NC(=O)CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	13146669	PPOGNRPIEZGKDK-AYRZQKSOSA-N	426.389	2.274	50	40	IEGB	
Cc1ccc(N(CC(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1Cl	20213138	PMVRJEZLGDBBQM-SRZZPIQSSA-N	437.905	2.336	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)NCc1ccccc1	58880677	RHVGHLCCCPHGTH-YZSQISJMSA-N	436.512	2.235	50	40	IEGB	
COc1ccc(OC)c(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)c1	409056569	RZCPCAGGFQAKTB-ROTLSHHCSA-N	435.415	2.333	50	40	IEGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCC(=O)NCCc2ccc3c(c2)OCCO3)cc1	11680168	SEYHZRDJEBIVKV-CPNJWEJPSA-N	435.480	2.333	50	40	IEGB	
CN1C(=O)C[C@@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)[C@@H]1c1cccnc1	72284102	GZGUXWZYJWVDNQ-YKSBVNFPSA-N	444.491	2.494	50	40	IEGB	
COc1ccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC	408754011	CXUXWMXCEIGDKT-CCULFSDZSA-N	433.530	2.465	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccncc3)nnn2-c2nonc2N)cc1	9345177	WGCNAAIBDBJSAU-ZMOGYAJESA-N	447.459	2.237	50	40	IEGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccc3c(c2)OCO3)c1	10002659	CIFYOZGVMHSUTA-UHFFFAOYSA-N	447.403	2.471	50	40	IEGB	
COc1cccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)c1O	16187436	SXPXYPLZKMMMSD-XKZIYDEJSA-N	427.482	2.325	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc(C(=O)O)cc1	13108487	RIALUWXWJHHGOR-ZVHZXABRSA-N	441.484	2.145	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	408926517	UJMGCKGDWIQZGY-GNUZOCDUSA-N	434.474	2.298	50	40	IEGB	
CC(C)[C@H](Br)C(=O)NNC(=O)[C@@]1(C)CC1(Br)Br	2311808	FAZCAHMURUSVEW-IMTBSYHQSA-N	434.954	2.449	50	40	IEGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)c1ccc2c(c1)OCCO2	12930935	JPDFIBUDRSKGNU-UHFFFAOYSA-N	447.694	2.497	50	40	IEGB	
O=C(CSc1nc2ccccc2c(=O)n1C[C@H]1CCCO1)NNC(=O)c1cccs1	13985390	RKNDIUUKXWIBSY-CYBMUJFWSA-N	444.538	2.190	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/C=C/c3ccccc3)CC2)cc1	35442335	CULXIQPPWCUDLU-PBWYYWLFSA-N	426.542	2.117	50	40	IEGB	
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C\c2cc(Br)ccc2O)cc1	36250220	FCTXSYURHLYMLA-XGXHHDSUSA-N	432.274	2.443	50	40	IEGB	
C=CCc1cc(/C=N/NC(=O)CNC(=O)COc2ccccc2Cl)cc(OC)c1O	9305981	DOCOAEPEEYNYIA-BHGWPJFGSA-N	431.876	2.428	50	40	IEGB	
Cc1c(Cl)cccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1	9233077	TUFQNTKLQMLUQF-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1	408663419	YCBKJKBAGQQWAR-MRXNPFEDSA-N	443.887	2.314	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(OC)c2OC)S(C)(=O)=O)cc1	408923106	FIXOQFJKPFVXJJ-WXUSHSQQSA-N	449.529	2.407	50	40	IEGB	
N#CCCCN1C(=O)/C(=N\NC(=O)CNC(=O)Cc2ccc(Cl)cc2)c2ccccc21	2284294	MAKKMTYDVIOFIT-MEFGMAGPSA-N	437.887	2.170	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C3\CCc4ccccc43)nnn2-c2nonc2N)c1	9291390	JBXVVVURAMLGQC-JJIBRWJFSA-N	444.455	2.379	50	40	IEGB	
CCc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	11532642	VGAMDZDTARQHRO-MRXNPFEDSA-N	443.887	2.260	50	40	IEGB	
CC(=O)Nc1c(C)cccc1C(=O)OCC(=O)NNC(=O)c1ccc(Br)cc1	11811844	UOZWJLJOJVHHLB-UHFFFAOYSA-N	448.273	2.334	50	40	IEGB	
COC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1	409317934	SDUAOEADGGUXOK-UONOGXRCSA-N	439.287	2.093	50	40	IEGB	
COc1c(C[C@@H]2CC(c3ccc(F)cc3)=NO2)c(/C=N/NC(N)=O)c2c(c1OC)OCO2	15086087	ACIOOMFYBIUQLJ-HITNIISBSA-N	444.419	2.310	50	40	IEGB	
CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NNC(=O)c3ccccc3O)CC2)cc1	17526245	DAJCKHBZQJHVIC-UHFFFAOYSA-N	445.541	2.378	50	40	IEGB	
CCN1C(=O)/C(=N\NC(=O)Cn2cnc3sc4c(c3c2=O)CC[C@H](C)C4)c2ccccc21	16844357	URPIYSVEOJKEBI-XQUWXSQBSA-N	449.536	2.470	50	40	IEGB	
O=C(COc1cccc2ccccc12)N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21	101559585	XYWBSWLYPBKLIR-PNHLSOANSA-N	444.491	2.375	50	40	IEGB	
COc1ccccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1Cl	408646918	RFUATWMIXOIPSX-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)sc2c1CCC2	2404264	IHKXZQGZUVDYRO-UFFVCSGVSA-N	431.470	2.129	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1	3664427	MTEKZSADHDJAJI-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccc(O)cc3)nnn2-c2nonc2N)cc1	9359900	WTZFQFNNJYKPDO-FSJBWODESA-N	448.443	2.158	50	40	IEGB	
CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	408645524	LWIZCGNRHDYSAU-HNNXBMFYSA-N	443.887	2.260	50	40	IEGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	19952690	WEGMNOVVNINMFG-LPYMAVHISA-N	439.453	2.335	50	40	IEGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1	408615314	OSOGJVSCFUQTPT-LBPRGKRZSA-N	447.245	2.171	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	408971875	RFPHRINYFIDUTI-PXLXIMEGSA-N	429.498	2.024	50	40	IEGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	2346388	ZXHAHOMCGLGKQB-KRWDZBQOSA-N	427.457	2.047	50	40	IEGB	
CCCn1nc(C(=O)NNC(=O)CCCOc2ccc(OC)cc2)c2ccccc2c1=O	17162569	MZJKGNWBBIGLCJ-UHFFFAOYSA-N	438.484	2.435	50	40	IEGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)N/N=C\c1cc(OC)c(OC)cc1OC	31759675	COBHFOZCUGMGOE-IHKZTNIUSA-N	446.460	2.405	50	40	IEGB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@@H]2[C@H]2[C@H](Br)[C@H](Br)[C@@H]21	104279310	IUNOPIYFNMVCFM-CLHCLYRXSA-N	439.107	2.239	50	40	IEGB	
O=C(COC(=O)c1cccc(NC(=O)C(F)(F)F)c1)NNC(=O)c1ccc(Cl)cc1	138692412	YYTUPXDRZUANGO-UHFFFAOYSA-N	443.765	2.459	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)NC[C@@H]1CCCO1	408771956	JGXUQOXJBBPVOY-DOUQRPAJSA-N	426.429	2.033	50	40	IEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1	408776139	MJPLPWFPVCMCBE-SRZZPIQSSA-N	437.905	2.490	50	40	IEGB	
COC[C@@H](C)n1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2ccccc2c1=O	2625875	XGJCQLOCUYTHCH-CYBMUJFWSA-N	444.488	2.296	50	40	IEGB	
COc1cc([C@@H]2c3cc4c(cc3O[C@H](NNC(N)=O)[C@H]2C)OCO4)cc(OC)c1OC	5956850	SERDXPHPXCGFFY-XGGWZBKUSA-N	431.445	2.101	50	40	IEGB	
O=C(NNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1n[nH]c2c1CCCC2	9896078	VJEFSDVOUUXXNJ-UHFFFAOYSA-N	429.908	2.255	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC[C@@H]1CCCO1	28215490	XDTZIKNLDRLMJW-DOUQRPAJSA-N	426.429	2.033	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1	104644637	USZRBOAFQAHVNH-SSZFMOIBSA-N	431.445	2.417	50	40	IEGB	
COc1cccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1	408615133	MIMIBUMDWBXPMT-ZDUSSCGKSA-N	432.274	2.272	50	40	IEGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1ccncc1	8819268	HALRMKRLQBDCBA-RVDMUPIBSA-N	430.486	2.273	50	40	IEGB	
CCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1Br	60118140	SCWZDJUVBAATTN-NVMNQCDNSA-N	449.143	2.393	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc(Br)ccc1O)Cc1ccccc1	108927449	QXBNDBNPCXEWDZ-VXLYETTFSA-N	440.319	2.067	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2C)cc1	409150145	ALZKLOUGTQQPGC-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
CCOC(=O)C(CCCBr)(C(=O)OCC)N1C(=O)c2ccccc2C1=O	1718860	YWYYKQPRJOYUEK-UHFFFAOYSA-N	426.263	2.323	50	40	IEGB	
O=C(CNC(=O)c1ccc(Cl)cc1Cl)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21	8969339	WFLAKYJEVHZYOV-UHFFFAOYSA-N	436.211	2.104	50	40	IEGB	
CN1C(=C(C#N)C(=O)CN2C(=O)N[C@@H](CCc3ccccc3)C2=O)N(C)c2ccccc21	3336043	XSJLAXKUFWVSDD-SFHVURJKSA-N	429.480	2.430	50	40	IEGB	
COc1cc(/C=C/C(=O)OCC(=O)NNC(=O)c2cc(Cl)ccc2OC)ccc1O	3369916	JBCJJRFLKNDVRV-XBXARRHUSA-N	434.832	2.080	50	40	IEGB	
COc1ccc(CC(=O)NNC(=O)[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C(C)C)cc1	12851717	ZREZILOMPZDFDV-ARKBFRDHSA-N	445.541	2.000	50	40	IEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1	408775646	ISJSALXCTWOXGB-SRZZPIQSSA-N	437.905	2.490	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1cccc(C)c1	409266124	JTOHKNVBTRRYIS-ZMOGYAJESA-N	438.484	2.140	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)N(N3CCOCC3)C3=C2C(=O)CCC3)cc(OC)c1OC	691500	LSUOSJKDWHHFJY-FQEVSTJZSA-N	440.500	2.060	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C)cc3)CC2)ccc1OC(C)=O	19861317	JNBBILUJYIJKKC-MFKUBSTISA-N	438.528	2.197	50	40	IEGB	
COc1cc(/C=N/NC(=O)CCN2CCN(c3ccccc3)CC2)cc(OC)c1OC	39488366	MGDNUOJVDAESMD-JJIBRWJFSA-N	426.517	2.375	50	40	IEGB	
CCCn1c(=O)c(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c(O)c2ccccc21	100551361	DNUWZBXKTSBDPU-UHFFFAOYSA-N	435.889	2.394	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1	408612390	VFAXSPYUUOKQDQ-RUDKWAFVSA-N	425.485	2.410	50	40	IEGB	
CC(C)C[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437450	WQYAIAZIGVLFMK-QZTJIDSGSA-N	431.537	2.125	50	40	IEGB	
CC(=O)c1cccc(O[C@H](C)C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1	95939665	NNANQKVDOYURCY-MRXNPFEDSA-N	448.520	2.292	50	40	IEGB	
O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1cccc(Cl)c1	409259938	IAZUZFGGGXVWQT-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
O=C(CCCCC(=O)N/N=C/c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2	3098304	LEWJDXJCRAJFCX-ASIDMNOUSA-N	438.440	2.305	50	40	IEGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1	408779301	UVXHXFMEVJOGID-BHSRTUAOSA-N	425.485	2.198	50	40	IEGB	
COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC	408970545	BERBZZKSNVHIAX-PXLXIMEGSA-N	431.514	2.255	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F	409151120	GPMGGAHPUVRKSB-OPEKNORGSA-N	436.390	2.309	50	40	IEGB	
Cc1cccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccco3)cc2)c1	409257472	PHZNIPJLJPEMLQ-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)cc1	20060458	NDHNVDFTSGIWSD-LPYMAVHISA-N	427.482	2.470	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	408615194	NEHVZETZKOCSSZ-CYBMUJFWSA-N	432.274	2.272	50	40	IEGB	
O=C(CCC(=O)OCC(=O)Oc1ccc([N+](=O)[O-])cc1)COc1ccc([N+](=O)[O-])cc1	2061001050	WDFFCCOYKPTRNA-UHFFFAOYSA-N	432.341	2.380	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3cccc(OC)c3)nnn2-c2nonc2N)c1	2238608	FTRSFNPZVBBKPD-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1)NCc1ccccc1	58880726	JGGLOOVVPDIREK-WGOQTCKBSA-N	430.464	2.471	50	40	IEGB	
COc1cc(OC)c(N2/C(=N\C(=O)CCl)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	101310271	UFBGKAQFHPNBKZ-IASMDHDYSA-N	439.342	2.197	50	40	IEGB	
CCc1ccc(OCC(=O)NN[C@@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)cc1	102314206	HMKJNPNNMGPLQX-QGZVFWFLSA-N	431.876	2.243	50	40	IEGB	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1OCC(=O)NN=Cc1ccco1	408948517	PHGBQHXNYCYANR-LJQANCHMSA-N	442.497	2.165	50	40	IEGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3ccc(O)c(OC)c3)s2)cc1	1952487	HPFJFBOGVZGLEH-SRZZPIQSSA-N	441.469	2.206	50	40	IEGB	
O=C(CCC(=O)N1CCN(c2ccc(F)cc2)CC1)NNC(=O)CCc1ccccc1	4676901	TXNUVWDPWXZCBE-UHFFFAOYSA-N	426.492	2.035	50	40	IEGB	
O=C(COC(=O)Cn1c(C(F)(F)F)nc2ccccc21)NNC(=O)c1cccs1	9669348	RHTIVWMAMVEJDZ-UHFFFAOYSA-N	426.376	2.121	50	40	IEGB	
O=C(NNC(=O)c1nccn2c(Br)cnc12)c1ccccc1Br	95455435	SZPPVRFGODFEHM-UHFFFAOYSA-N	439.067	2.329	50	40	IEGB	
O=C(COc1ccccc1I)N/N=C\c1cc([N+](=O)[O-])ccc1O	409086767	GYEUPVGWNDWDGT-IUXPMGMMSA-N	441.181	2.434	50	40	IEGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)c1	408782217	GCKOQGAXICUSGG-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
Cc1ccc(C(=O)CCC(=O)NNC(=O)CSc2nnnn2-c2ccccc2C)cc1	9665869	HYWLWBVNDNJFAK-UHFFFAOYSA-N	438.513	2.182	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)c1	20210099	CARRPFMVCPOBOD-SRZZPIQSSA-N	449.554	2.106	50	40	IEGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1	21921576	HYVJQHZCNCSGGR-ZDUSSCGKSA-N	442.472	2.231	50	40	IEGB	
Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1	408651410	DKNLNJBBYNMBDZ-HNNXBMFYSA-N	443.887	2.314	50	40	IEGB	
CCOc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	408663137	LMAZMFOZKJMLLY-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccccc1Cl	408687842	VGPAAGLIMFHLJL-QJPVEVLHSA-N	428.666	2.393	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)ccc1OCC(=O)N1CCOCC1	409010948	DWYGNOKTHWFIMP-ZVHZXABRSA-N	429.448	2.226	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OCC)c1	409151503	BQGBNLLDQURVLH-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
O=C(N/N=C/c1cccc(OCC(=O)N2CCCC2)c1)C(=O)Nc1cccc(Cl)c1	409261730	DCSJQQAFFCEITN-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccccc3O)c2)cc1	12526369	WDRAIOSZSQEBND-UHFFFAOYSA-N	441.465	2.276	50	40	IEGB	
COc1ccccc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1	16187185	SOBXITYBJCCWAU-YBFXNURJSA-N	440.319	2.229	50	40	IEGB	
O=C(CBr)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O	71788163	VZUGXNHUTRFKJJ-KRWDZBQOSA-N	447.285	2.489	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1C(F)(F)F	9423954	CKXUAVRANRAYPB-OJLMPMFISA-N	439.415	2.397	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1	9582921	LQBYWVITAKQFLJ-UHFFFAOYSA-N	426.458	2.427	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	408787341	YDOAZTQDHDGIBM-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
O=C(CCC(=O)Nc1cccc(C(=O)O)c1)N/N=C/c1coc2ccc(F)cc2c1=O	1952935	NSCPOSGCDCWYEE-AUEPDCJTSA-N	425.372	2.499	50	40	IEGB	
CCn1nc(C(=O)NNC(=O)c2cnn(-c3ccc(C)cc3)c2C)c2ccccc2c1=O	12885636	MPHMOSOFIUKNBF-UHFFFAOYSA-N	430.468	2.294	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccccc2)C1=O)c1ccccc1Br	408743073	ZCVHENFMIHTRFR-NPNVKNKFSA-N	445.298	2.229	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](NC(=O)Cc2ccc(OC)cc2)C(C)C)cc1	4544284	HBPNSLFOVXXYPR-GQBLCDNYSA-N	425.485	2.315	50	40	IEGB	
O=C(NNC(=S)NC[C@H]1CCCO1)c1cccc(COc2ccc([N+](=O)[O-])cc2)c1	33523256	WHHXTBWMIOVRTF-GOSISDBHSA-N	430.486	2.462	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2Cl)c(OCC)c1	409172110	HSICQDMBGJYSRB-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(F)c3)nnn2-c2nonc2N)cc1	2386958	ATGHUNDEYIAWTF-FOKLQQMPSA-N	436.407	2.201	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)ccc1OC	3095443	WVLZHGLRTSNWEA-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1)NCc1ccccc1	28215061	AGYWLKYVJSOVRE-VULFUBBASA-N	435.509	2.414	50	40	IEGB	
CNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1	9192346	RIWNNFOFCTYQPA-ATVHPVEESA-N	435.509	2.443	50	40	IEGB	
COc1ccc2c3c1O[C@]1(C)[C@H](OS(C)(=O)=O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@@]431	100393445	PLEJCHVAAIVYOT-RJBJQPCJSA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
CC(=O)NS(=O)(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C(O)C(C#N)=C3C)o2)cc1	101141957	GTAISNKQLVMZHO-SXGWCWSVSA-N	425.422	2.492	50	40	IEGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1cccc(Cl)c1	408685689	PZIOIZXRLAZUAQ-NCPBCQDQSA-N	428.666	2.393	50	40	IEGB	
Cc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	138913784	DCLQHHUYMBYQKM-CQSZACIVSA-N	429.860	2.006	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2C)S(C)(=O)=O)c1O	408771245	GGCPRNDRZQRKMF-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1OC	59437020	MUSOJCGGDPUEGY-OEAKJJBVSA-N	427.457	2.437	50	40	IEGB	
NC(=O)CN1C(=O)/C(=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	100421884	CWNBCRWEHFASOL-IGONPIQHSA-N	438.487	2.345	50	40	IEGB	
CCOc1ccc(N2C(=O)NC(=O)/C(=C\NNC(=O)c3ccc(Cl)cc3)C2=O)cc1	408536309	WCISVPUFPOOWJM-LFIBNONCSA-N	428.832	2.140	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCCC1	2626694	FYMBYNMFDDXMQR-UHFFFAOYSA-N	437.905	2.208	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1	409272169	PBXRZAXADYELDP-LUILSVGHSA-N	426.473	2.078	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccc(OC)cc3)n2C)cc1	651138	SVQHFFNBDGASCN-UHFFFAOYSA-N	427.486	2.053	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c(F)cccc2Cl)c1-c1ccccc1	1056677	PEEWSIGVELILQP-LSFURLLWSA-N	426.799	2.456	50	40	IEGB	
COc1ccc(CC(=O)NNC(=O)CSc2nncc3ccc(OC)c(OC)c23)cc1	2428955	WZPCZUVLJFVNCH-UHFFFAOYSA-N	442.497	2.138	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	9630664	WBVOKTOGWBENQV-RUOGMDPPSA-N	429.473	2.375	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1	20214864	IUJPTRCSYRSAOX-QKIXXSFTSA-N	446.529	2.349	50	40	IEGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1	408638234	BVRFNSXFQAPRJC-LBPRGKRZSA-N	447.245	2.171	50	40	IEGB	
CC(=O)Oc1cccc(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c1	408753593	JPTGFGQDRQUIRC-CCULFSDZSA-N	431.514	2.374	50	40	IEGB	
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OC)c2O)sc2c1CCCC2	2412552	YZDDEAJVTVLQGW-UFFVCSGVSA-N	431.470	2.217	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(C3CC3)n2Cc2ccco2)cc1	12813764	NAGZAEQGRWCQBT-UHFFFAOYSA-N	427.486	2.359	50	40	IEGB	
Cc1ccc(NC(=S)NNC(=O)Cn2ncc3ccccc3c2=O)c(Br)c1	33567906	NYZPPMIIIRIKFA-UHFFFAOYSA-N	446.330	2.485	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2C)c(OC)c1	409158110	XJQZTPLCRLAKDU-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)c1	408771766	CORQUUMYOKFVLP-KGENOOAVSA-N	435.502	2.019	50	40	IEGB	
CCOc1cc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)ccc1OC	409321025	RJEFCNNXIYMKQZ-RMORIDSASA-N	435.864	2.384	50	40	IEGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	2542008	UKWFJFAZYUHEGC-AUEPDCJTSA-N	436.407	2.023	50	40	IEGB	
CCc1ccccc1N(CC(=O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1)S(C)(=O)=O	16162384	PYMKEJWMEVJXNX-UDWIEESQSA-N	434.474	2.082	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)cc1)NC1CCCCC1	59959962	LREQDUKGGFJZMW-LFVJCYFKSA-N	428.533	2.367	50	40	IEGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C(\C)c1ccccc1O)S(C)(=O)=O	408784709	RZFCXOFAJUWEKP-UDWIEESQSA-N	425.894	2.361	50	40	IEGB	
Cc1cc(OCC(=O)NNC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc(C)c1Cl	1750149	VULSAWMDDIVTQX-ZDUSSCGKSA-N	429.860	2.168	50	40	IEGB	
Cc1cc(Br)ccc1OCC(=O)NNC(=O)COc1ccc([N+](=O)[O-])cc1	2135196	AREVTEWAXYOLSC-UHFFFAOYSA-N	438.234	2.271	50	40	IEGB	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)n2)n1	3402315	KVGXMQTZOBSEMM-MRXNPFEDSA-N	427.848	2.139	50	40	IEGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCCN1CCOCC1	13116862	DXWIFCSCKBCJMQ-FQEVSTJZSA-N	425.489	2.046	50	40	IEGB	
CCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)s1	408730830	JACXFDRTEPFHAN-DJKKODMXSA-N	448.461	2.387	50	40	IEGB	
CCc1ccc(N(CC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)S(C)(=O)=O)cc1	409029342	ZPNSFZOSACQQRD-LPYMAVHISA-N	449.529	2.191	50	40	IEGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc1OC	409142721	CWWRXEQXNBYIIB-LPYMAVHISA-N	427.482	2.286	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	409263797	OHOJVXTULVKCAI-LUILSVGHSA-N	426.473	2.078	50	40	IEGB	
Cc1ccc(C(=O)NNC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1	874044	DHWRDPUFZUDOPV-UHFFFAOYSA-N	428.493	2.428	50	40	IEGB	
CCOCCCn1c(SCC(=O)NNC(=O)c2cccs2)nc2ccccc2c1=O	10785413	MPPQKJRQVUQZCV-UHFFFAOYSA-N	446.554	2.438	50	40	IEGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32)Nc1ccc(Cl)cc1	408686836	SIOBVAQSVBZVSA-NCPBCQDQSA-N	428.666	2.393	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	408925801	QJCBNNJIZUBYAG-WXUSHSQQSA-N	449.529	2.407	50	40	IEGB	
Cc1c(C(=O)NC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cnn1-c1ccccc1	8398885	GWTVCTGHUUEDDW-UHFFFAOYSA-N	425.361	2.464	50	40	IEGB	
C/C(=N\NC(=O)C[C@@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc(Br)cc1	8951241	QANPRFVSHCYGDP-WQGFDPGOSA-N	442.317	2.324	50	40	IEGB	
CC(=O)/N=C1\NC(=O)/C(=C/c2cc([N+](=O)[O-])cc(Br)c2OC(C)=O)S1	2080357	DCHLLNTWBSKROG-WCIBSUBMSA-N	428.220	2.389	50	40	IEGB	
Cc1ccc(S(=O)(=O)CC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)cc1	2381064	KRTQDUZSCBESEL-UHFFFAOYSA-N	436.287	2.004	50	40	IEGB	
COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(Br)c2)CC1	4048220	OUOUUGWCKDZPGZ-HYARGMPZSA-N	445.317	2.257	50	40	IEGB	
COc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1	408644057	CUDJOOFNTPZKAJ-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(OC)c(Cl)c2)[C@H]2C(=O)OC(=O)[C@H]21	100913649	QAFAAGPUTSPMMD-ORGXJRBJSA-N	429.856	2.463	50	40	IEGB	
CC(C)Oc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409028530	OJHKZAALBADUJH-UDWIEESQSA-N	434.474	2.298	50	40	IEGB	
O=C(COc1ccc(OCc2ccccc2)cc1)NNC(=O)c1n[nH]c(=O)c2ccccc12	8924642	SHQCUOYRXAVJIS-UHFFFAOYSA-N	444.447	2.342	50	40	IEGB	
O=C(Cn1nnc(-c2ccc(F)cc2)n1)N/N=C/c1cc2c(cc1Br)OCO2	16429766	CFWPAWRKZRHUCT-IFRROFPPSA-N	447.224	2.121	50	40	IEGB	
COc1ccccc1C(=O)NCC(=O)NNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	17444882	DIZWEKHXWJENCW-UHFFFAOYSA-N	438.459	2.433	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Br)c2)S(C)(=O)=O)c1	408769423	UMAPGIMDXKUXAZ-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCOCC3)nc3ccccn3c2=O)cc1	2197702	OJORZKVERSHWEO-NBVRZTHBSA-N	436.493	2.178	50	40	IEGB	
CC(C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NNC(=O)c1ccncc1	2367439	YQVVZOGBORSBTR-LJQANCHMSA-N	449.467	2.143	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1	408915360	ZWARGHHOBJBWQJ-QFNCUCFLSA-N	432.546	2.456	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1	409163316	PNOVCJCNQBVIRO-BHGWPJFGSA-N	434.855	2.473	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)N[C@H](C)CC)ccc1OCC(=O)Nc1ccccc1	409268904	ZJAPXDXJHZEKEY-HUSFYUSLSA-N	440.500	2.468	50	40	IEGB	
COc1cc(C(=O)NNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc1OCCC(C)C	39976168	DGKWSXFDTGIHPI-BTYIYWSLSA-N	435.546	2.335	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2c(O)ccc3ccccc23)S(C)(=O)=O)c1	408781491	BAFSXULOZSLGAT-LPYMAVHISA-N	427.482	2.470	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	408925894	RRBWVMFACUIJMW-QQHUYRGFSA-N	449.529	2.407	50	40	IEGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1	19951333	GPZRQEMWUYBIMT-LFVJCYFKSA-N	437.525	2.493	50	40	IEGB	
COc1ccccc1NCC(=O)NNC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	36397066	WQOLIOQMWWFXFJ-UHFFFAOYSA-N	427.461	2.467	50	40	IEGB	
COC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O	2203932	FNTYUQSOMODVRN-OBGWFSINSA-N	429.480	2.410	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)ccc1O	408781245	BOSCDFJUJSXNRB-RGVLZGJSSA-N	425.894	2.361	50	40	IEGB	
COc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(N)=O)cc2Br)cc1	408924308	MRTQIHMVUQNEHN-GIJQJNRQSA-N	428.264	2.228	50	40	IEGB	
O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NNC(=O)c1ccccc1	8747678	WLZKZARJBVSZHX-UHFFFAOYSA-N	426.429	2.203	50	40	IEGB	
C=CCN1C(=O)c2ccc(C(=O)OCC(=O)C(C#N)=C3Nc4ccccc4N3)cc2C1=O	9670450	ZZZPBIQXKQUCGX-UHFFFAOYSA-N	428.404	2.467	50	40	IEGB	
CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)NNC(=O)COc1cccc(Br)c1	40160407	VOBHXKNYHQAKOD-GOSISDBHSA-N	448.317	2.430	50	40	IEGB	
Cc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1C	408654158	JVDYXFKFVONWIG-OAHLLOKOSA-N	443.887	2.314	50	40	IEGB	
COc1ccccc1N(CC(=O)N/N=C/c1ccc(Br)cc1)S(C)(=O)=O	408923837	HFFOPWOMEMKNAM-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1	409153153	KXLIVEIPGHIJCA-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)cc(Cl)c1O	409258237	SCFWUYCHDHCKOX-WYMPLXKRSA-N	449.891	2.271	50	40	IEGB	
COc1ccc(CCC(=O)NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	3432735	FBDCVWFZJGLKQU-UHFFFAOYSA-N	445.541	2.264	50	40	IEGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1ccc(OCC(N)=O)cc1	58872861	JHQRAPFTZSQBTJ-ODCIPOBUSA-N	430.262	2.033	50	40	IEGB	
Cn1cc(C(=O)NNC(=S)NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cn1	2741179	XKABEXJKXHFJCB-UHFFFAOYSA-N	445.508	2.222	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H](C)NS(=O)(=O)/C=C/c1ccccc1	9882434	JIAPZASUJXCCAO-OCHBPSSRSA-N	437.905	2.088	50	40	IEGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3cc(OC)c(OC)c(OC)c3)CC2=O)cc1	409161541	VIZNLGQXRCMEHU-WQKDKYNYSA-N	427.457	2.224	50	40	IEGB	
O=C(CCNC(=O)c1ccc(Cl)cc1)NNC(=O)c1cncn1-c1ccc(F)cc1	8725159	PDPIZQZRXZKGSU-UHFFFAOYSA-N	429.839	2.246	50	40	IEGB	
C/C(=N\NC(=O)CN(c1cccc(C)c1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2	9425542	CSGJWIYAARPROJ-CJLVFECKSA-N	431.514	2.381	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl	16186917	APTVUHUQHBSHAG-AWQFTUOYSA-N	444.296	2.462	50	40	IEGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccc(O)c(OC)c3)CC2)c1	59953157	MEGXFFNMVSBKGC-ZVHZXABRSA-N	441.484	2.421	50	40	IEGB	
CC(C)C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	105303820	TYMIIMVBEWBJTR-OZSAEHEISA-N	437.128	2.264	50	40	IEGB	
CCOc1ccc(C(=O)NNC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)cc1OC	13011761	GMKLSPLMNGTAFS-LJQANCHMSA-N	431.464	2.449	50	40	IEGB	
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)NNC(=O)c1cccs1	13985385	RKNDIUUKXWIBSY-ZDUSSCGKSA-N	444.538	2.190	50	40	IEGB	
CN(C)c1ccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)cc1	19952831	RYRHMAYWBFFCCC-BUVRLJJBSA-N	437.525	2.493	50	40	IEGB	
CC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2Cl)cc1	408663819	OLMZUEYJMBSXTG-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
COc1cc2c(cc1/C=N\NC(=O)c1ccc(I)c(O)c1)OCO2	409068157	FWLKHOVGMJIUPC-WSVATBPTSA-N	440.193	2.498	50	40	IEGB	
CCOc1ccc(N2C(=O)/C(=C\NNC(=O)c3ccccc3O)C(O)=NC2=S)cc1	38163592	IHCAEYTUNRZHDC-PTNGSMBKSA-N	426.454	2.197	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc(OC)c1O	408762362	KBBDFPYIUFIIKW-OZNZCJATSA-N	449.529	2.171	50	40	IEGB	
NNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Br)cc1	409204049	CBWMOOOBXIOOKS-UHFFFAOYSA-N	432.727	2.283	50	40	IEGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1ccc(OCc2ccccc2F)cc1	2541992	URIBUYBZLBCYRB-AUEPDCJTSA-N	436.407	2.023	50	40	IEGB	
N#C/C(=C\c1cn(CC(=O)NC[C@@H]2CCCO2)c2ccccc12)C(=O)NC[C@H]1CCCO1	9010596	LPBAKEBMQZEDNB-NJGNHYEOSA-N	436.512	2.139	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1)NCc1ccco1	16430256	BJRLASYWCDNAHB-BHGWPJFGSA-N	425.470	2.007	50	40	IEGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@H]1c1ccccc1	409144738	PQZBGRMFTJEWOA-UXHICEINSA-N	435.505	2.474	50	40	IEGB	
CCOc1cccc(/C=N/NC(=O)CCC(=O)N/N=C/c2cccc(OCC)c2O)c1O	19635836	MHQDRZULOBEHNV-RNIAWFEPSA-N	442.472	2.276	50	40	IEGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1	19927855	YGNKHNXVJRWXDI-MVDPLZLPSA-N	426.494	2.484	50	40	IEGB	
COc1ccc(CCNC(=O)NNC(=O)c2ccc(=O)n(Cc3ccc(C)cc3)c2)cc1	23136166	RCVKIQBKAKJXPK-UHFFFAOYSA-N	434.496	2.400	50	40	IEGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1ccccc1Cl	408687843	VGPAAGLIMFHLJL-XOKVJCJLSA-N	428.666	2.393	50	40	IEGB	
O=C(CCCCCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O	2343681	CFULEOMRVVGOEG-FWSOMWAYSA-N	428.445	2.060	50	40	IEGB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	8820244	JXLRCWNIWMKHBR-MDWZMJQESA-N	448.507	2.319	50	40	IEGB	
Cc1ccccc1N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)S(C)(=O)=O	20207582	RGRCMCHDJXAIHM-SRZZPIQSSA-N	433.555	2.406	50	40	IEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1	58882066	QLRDWMZMPMUPDV-YDZHTSKRSA-N	426.473	2.078	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)cc(Cl)c1OCC(=O)Nc1ccccc1	409170416	VOFWZLWECLLAQA-FOKLQQMPSA-N	446.891	2.341	50	40	IEGB	
c1cc(P(c2ccc(C3OCCO3)o2)c2ccc(C3OCCO3)o2)oc1C1OCCO1	95486411	VZPQDEMKJIXHNC-UHFFFAOYSA-N	448.364	2.360	50	40	IEGB	
CCc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	408645528	LWIZCGNRHDYSAU-OAHLLOKOSA-N	443.887	2.260	50	40	IEGB	
O=C(COC(=O)CCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1	408661815	HXDBBSYZWDYERN-UHFFFAOYSA-N	448.273	2.172	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cc(Cl)ccc2C)c1	409154409	AIDFUIOQTWSYOH-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc1OC	409180769	VNTJEOVRXCCGDL-LIMNOBDPSA-N	449.847	2.191	50	40	IEGB	
O=C(COc1ccccc1F)NNC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1	9910974	WCTGRHQFLBJOGV-UHFFFAOYSA-N	443.456	2.467	50	40	IEGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NCc1ccco1)Nc1ccc(F)cc1	409257030	NMJDRSBQEJPPAM-BRJLIKDPSA-N	438.415	2.203	50	40	IEGB	
BrC[C@@H]1CN=C(N2CCN(C3=NC[C@@H](CBr)S3)CC2)S1	836482	JVWZZGTVTMDTJV-NXEZZACHSA-N	442.246	2.337	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C(=O)OC)cc1	2275648	BBUONXFHXLHSAJ-SFHVURJKSA-N	426.425	2.217	50	40	IEGB	
COc1ccc(N(CC(=O)NN=C(C)C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1	19955979	MPDYWKCSFHSGNH-UHFFFAOYSA-N	432.502	2.361	50	40	IEGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(O)c(I)c1	96838826	FLVYXTZIMBRGRB-IUXPMGMMSA-N	441.181	2.434	50	40	IEGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccc(Br)cc1	107663466	RWAJHXYEPKFECS-MOSHPQCFSA-N	438.347	2.404	50	40	IEGB	
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NNC(=O)c3ccncc3)C2=O)cc1	8819135	KPUGJXPAUXMKIA-WJDWOHSUSA-N	442.522	2.143	50	40	IEGB	
COc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)c1	9010061	WBFAYJIQSAKKJG-ZMOGYAJESA-N	447.459	2.007	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccc([N+](=O)[O-])c1	408743656	WTXDUGZFTMACRW-IEEVUCOHSA-N	445.844	2.028	50	40	IEGB	
CCOC(=O)/C(C#N)=C/c1c(N2CCC(C(=O)OCC)CC2)nc2c(C)cccn2c1=O	13658300	BAHJDCNOIDHMRW-GHRIWEEISA-N	438.484	2.253	50	40	IEGB	
C/C(=N\NC(=O)C[C@H]1NC(Cc2ccccc2)=NNC1=O)c1ccc(Br)cc1	13756128	QANPRFVSHCYGDP-YXUUZYBBSA-N	442.317	2.324	50	40	IEGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CN1CCN(Cc2ccc(C)cc2)CC1	22942836	XUANEMHYYOPYTN-MFKUBSTISA-N	440.544	2.289	50	40	IEGB	
Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	9292822	GKYZSJJZMXOADE-ODCIPOBUSA-N	440.807	2.380	50	40	IEGB	
COc1cc(OC)cc(C(=O)N[C@@H](C(=O)NNC(=O)c2cc3c(s2)CCC3)C(C)C)c1	26545688	DHBGGTWLYYZXCZ-LJQANCHMSA-N	445.541	2.470	50	40	IEGB	
CCSc1ncc(Br)c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])n1	28287073	CKRVXESAVKKUCQ-UHFFFAOYSA-N	426.252	2.334	50	40	IEGB	
Cc1ccc[n+]([C@@H]2[C@H](c3cccnc3)C(C#N)=C(C(=C=N)C#N)N[C@@]2(O)c2cccnc2)c1	504807123	GYDUJASEHDIYQO-QLBJFCOMSA-N	434.483	2.322	50	40	IEGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1ccccc1C(F)(F)F	409264372	FICPQRNPFSHHIV-OPEKNORGSA-N	448.401	2.452	50	40	IEGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1	2619574	HXHQKWPCYKBNBY-UHFFFAOYSA-N	433.530	2.209	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(F)cc1	408606748	ARKOOLHYHCACOF-SAMQYFKISA-N	429.448	2.159	50	40	IEGB	
CC/C(=N\NC(=O)CN(c1ccccc1OC)S(C)(=O)=O)c1ccc(OC)c(OC)c1	13942042	MFQOPQWAPWEADC-CJLVFECKSA-N	449.529	2.409	50	40	IEGB	
CC/C(=N\NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20210014	SVEAUCCSSGUKOC-RELWKKBWSA-N	449.529	2.409	50	40	IEGB	
COc1cccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@H]5C(=O)OC(=O)[C@H]45)[C@H]23)c1O	100872025	SPEHUXFIJAAOEY-ITBVHJJZSA-N	431.491	2.339	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1	102675927	RMKHCKRPKDBMAQ-FSEGOYHTSA-N	439.415	2.397	50	40	IEGB	
COc1ccc(/C=N/NC(=O)C2=NO[C@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)cc1	15085898	ALEBROPMCNZFAJ-BRUSPLQXSA-N	441.440	2.279	50	40	IEGB	
CCS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC)c1OC)c1ccc(OC)cc1	59490256	JQTQXOFEGCOYHQ-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
COc1ccc(OC)c(NC(=O)C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cn2)c1	100765768	PXHQBSIOSFGTSA-BHGWPJFGSA-N	433.852	2.212	50	40	IEGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@@H]1OS(C)(=O)=O	195525160	HCVLSAYBYNJZIU-AVGNSLFASA-N	443.602	2.063	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2ccc(F)cc2)ccc1OCC(=O)N1CCOCC1	409009031	BFZQOQHTPGXGFX-ZVHZXABRSA-N	429.448	2.226	50	40	IEGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2	2334549	TZCSTHGCGYZQTL-GOSISDBHSA-N	427.457	2.047	50	40	IEGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(OCC(N)=O)c(OC)c2)C(C#N)=C(N)O3)c1	9242952	LOLNMPGKHHILHW-IBGZPJMESA-N	447.451	2.176	50	40	IEGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)c1C	13129622	QBCSTQCOYFSLIV-LICLKQGHSA-N	444.513	2.251	50	40	IEGB	
N#CCc1ccc([C@H](C#N)/C(CCC(=O)Nc2cccc([N+](=O)[O-])c2)=N\NC(=O)NN)cc1	25586159	NKVVTHYPBQNOSP-TVDRNXLFSA-N	448.443	2.216	50	40	IEGB	
CCN(CC(=O)NNC(=O)c1cc(Cl)ccc1OC)C[C@H]1COc2ccccc2O1	31174636	BYHIXNRYEVUIHD-HNNXBMFYSA-N	433.892	2.272	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3ccncc3)cc2)cc1	58873951	OFQKSRWFMGROPU-JFLMPSFJSA-N	445.479	2.174	50	40	IEGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1	58882597	XILUBRCBLRVMJG-YCCHBACSSA-N	441.484	2.142	50	40	IEGB	
CC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1	138673640	ZPJAFHISUPFVGY-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3cccc(OC)c3OC)c(C)c(C#N)c2=O)cc1	409058844	LREGYVWQBQDXTA-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1OCC	409185599	NCZXDPALTCSRHB-HYARGMPZSA-N	449.529	2.409	50	40	IEGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1	409317932	SDUAOEADGGUXOK-KGLIPLIRSA-N	439.287	2.093	50	40	IEGB	
COC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1	58881258	VFKYOAUATCLRNM-KEBDBYFISA-N	434.246	2.090	50	40	IEGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@H]1Sc1[nH]c(=O)sc1[C@H]2c1cc([N+](=O)[O-])ccc1O	100871998	QXNADULDDZGURB-KXYDBCRFSA-N	446.462	2.238	50	40	IEGB	
N#C/C(=C/c1cc(Br)c(I)o1)C(=O)N1CCOCC1	408952218	LLSLQDVEMLZJOF-YVMONPNESA-N	437.031	2.412	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1C	12794479	HXBKLUWPMISVKG-UHFFFAOYSA-N	439.921	2.047	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1	16267309	IYWGTABYZWAKJQ-WSDLNYQXSA-N	433.530	2.400	50	40	IEGB	
CCc1sc(C(=O)NNC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C	32913494	TVVZREYHPDBVGC-UHFFFAOYSA-N	431.518	2.110	50	40	IEGB	
N#CCC(=O)N/N=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)C(=O)[C@@H]1c1nc2ccccc2o1	103014139	WSXRGMYFBVJKDE-CCZPVOIUSA-N	449.810	2.093	50	40	IEGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)c1	9271951	MTWBMMNAOPGVAF-WYMPLXKRSA-N	445.443	2.012	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)cc1	14201079	YVXVBASRFASOND-KRWDZBQOSA-N	439.921	2.113	50	40	IEGB	
COc1cc(Br)ccc1OCC(=O)N/N=C1/C(=O)N(C(C)=O)c2ccccc21	15134355	GZFBQPDDNKODNH-RELWKKBWSA-N	446.257	2.250	50	40	IEGB	
CC1CCC2(CC1)NC(=O)N(CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)C2=O	15811154	BEEOZWZRYOJDDS-UHFFFAOYSA-N	427.288	2.255	50	40	IEGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=S)NC[C@@H]3CCCO3)c2)cc1	15898844	CYKQEHYXHLATEI-KRWDZBQOSA-N	448.570	2.084	50	40	IEGB	
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br)Nc1cccc(Cl)c1	408685692	PZIOIZXRLAZUAQ-SLQSZJTJSA-N	428.666	2.393	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc(C(=O)O)cc1)c1cccc(C(F)(F)F)c1	408786538	SHMFSKXVDQCRSL-LSHDLFTRSA-N	443.403	2.320	50	40	IEGB	
COc1ccc2c(c1)CCC/C2=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1	100051199	PYUMCGWSXNQGDL-ULJHMMPZSA-N	444.455	2.379	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(OCC)c1	409167138	GZLIGQIXBXUNIW-DHRITJCHSA-N	444.463	2.218	50	40	IEGB	
C#CCN1C(=O)/C(=N\NC(=O)[C@H]2COc3ccccc3O2)c2cc(Br)ccc21	13617542	SOLZAYDKZYXSKG-RTAFMGCNSA-N	440.253	2.089	50	40	IEGB	
Cc1sc2nc(CS[C@@H](C)C(=O)NNC(=O)c3ccccc3O)[nH]c(=O)c2c1C	21901400	BGNPEHPHZBXALN-NSHDSACASA-N	432.527	2.390	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)cc1	22021419	LUOQSRSHILMDHV-UHFFFAOYSA-N	428.466	2.402	50	40	IEGB	
CC(C)n1nc(C(=O)NNC(=O)c2ccc3oc(N(C)C)nc3c2)c2ccccc2c1=O	89893827	UNGMEFJXGHUXCS-UHFFFAOYSA-N	434.456	2.259	50	40	IEGB	
CC(C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1	409153015	CIUPDBKTRBATRT-AUEPDCJTSA-N	434.855	2.471	50	40	IEGB	
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OC(C)C	409250899	YWUMCXZWUCHPHR-WMZJFQQLSA-N	429.214	2.189	50	40	IEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)[C@H](C)NS(=O)(=O)/C=C/c2ccccc2)cc1	9882432	NBTYGNZEVLJNLT-IWLLYFRBSA-N	444.557	2.273	50	40	IEGB	
N#C/C(=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NCCN1CCCCC1	13785708	XKNDZOBBILADOM-VKAVYKQESA-N	428.514	2.103	50	40	IEGB	
O=C(NNC(=O)c1csc2c1CCCC2)c1ccc(S(=O)(=O)N2CCCC2)cc1	14254021	OKTSMCUIIPBOIO-UHFFFAOYSA-N	433.555	2.486	50	40	IEGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1	101315758	RCEQNWCETVTYQI-AOMAHKHESA-N	428.841	2.425	50	40	IEGB	
CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)NNC(=O)[C@@H]1COc2ccccc2O1	97230643	HJXWFZVRBGNXQE-GSHUGGBRSA-N	433.505	2.447	50	40	IEGB	
COc1ccccc1N(CC(=O)NN=C1CCN(Cc2ccccc2)CC1)S(C)(=O)=O	409328921	ALMCMEXFJCWNGS-UHFFFAOYSA-N	444.557	2.229	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccc(F)cc2)c1CSc1ccccc1	2220437	SRIDVKXRBJDXSL-LSHDLFTRSA-N	438.448	2.428	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	3116011	SKXFXTWFVYZOOD-DJKKODMXSA-N	434.361	2.145	50	40	IEGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-]	16693870	YUAAWQKJSDTFJX-GDNBJRDFSA-N	444.407	2.469	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1[N+](=O)[O-]	58924990	HDTVWECJLAUCTC-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NCc2ccco2)cc1	58882140	JWTQHMVTXGYMFN-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
O=C(COC(=O)CCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1	408665942	MVAYECARXYMGMU-UHFFFAOYSA-N	437.374	2.429	50	40	IEGB	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccn2)Cc2ccccc2)cc1	408977069	CSYGZHCLGDCPHY-BUVRLJJBSA-N	438.509	2.431	50	40	IEGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1	8445731	HVWUQFVVWLYEFV-UHFFFAOYSA-N	426.458	2.252	50	40	IEGB	
Cc1ccc(C)c(-n2nnnc2SCC(=O)NNC(=O)[C@H](C)Oc2ccccc2F)c1	13129966	RZTRGZOJKRTNLJ-AWEZNQCLSA-N	444.492	2.125	50	40	IEGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2c(Cl)cccc2Cl)cc1OC	409161735	PGIZOTDJZZKCMX-AWQFTUOYSA-N	446.312	2.439	50	40	IEGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(c1ccccc1)S(C)(=O)=O	20207264	YXVOKHVWQAQSNU-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1	408915358	ZWARGHHOBJBWQJ-PZBNQXIHSA-N	432.546	2.456	50	40	IEGB	
N#CCOc1ccccc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1	409001487	IRPUQJZITHAFFZ-ZAHDWXQSSA-N	446.467	2.300	50	40	IEGB	
CC1=CC[C@@](C(=O)O)(C(=O)NNC=C2C(=O)OC(C)(C)OC2=O)[C@H](c2ccc(F)cc2)C1	8782922	NAZDLDCIHXDVOG-AOMKIAJQSA-N	446.431	2.061	50	40	IEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)CN(C)CC(=O)Nc2cccc(C)c2C)cc1	15480207	FPTOIHQEZTUIRX-UHFFFAOYSA-N	439.560	2.481	50	40	IEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc3ccc(OC)cc3[nH]2)c1	31213484	PUXAPKMYBBFNIS-UHFFFAOYSA-N	444.513	2.282	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)ccc1O	2403307	SHQFTRIWHCAZFQ-GKXUUXLPSA-N	437.905	2.358	50	40	IEGB	
N#C/C(=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1)C(=O)NCc1ccco1	9419132	DFGGMBBGPIZMJF-KJMJCNJVSA-N	442.522	2.078	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2c(C)cccc2C)c(OC)c1	409160045	PGVPJXNBGUUQGU-DHRITJCHSA-N	438.484	2.082	50	40	IEGB	
Cc1occc1C(=O)Nc1nc(CC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cs1	40128085	GRWZKEXVMYUPCB-UHFFFAOYSA-N	429.414	2.209	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NCc3cccnc3)cc2)cc1	58873916	NJLIQZVTINMOBR-JFLMPSFJSA-N	445.479	2.174	50	40	IEGB	
Cc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(CNS(=O)(=O)c2ccccc2)o1	408773534	RHQGOVFDYNLSFE-XKZIYDEJSA-N	440.481	2.155	50	40	IEGB	
C=CCc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)cc(OC)c1OCC(=O)O	408808786	FMIPJYHIMVMQJH-CFRMEGHHSA-N	441.484	2.482	50	40	IEGB	
CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)NNC(=O)c1ccco1	9507044	GAKYEZRBKMPITR-CYBMUJFWSA-N	440.319	2.355	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)NNC(=O)c3ccc(Cl)cc3)CC2)cc1	9683694	GAVZYUHIFLMNOG-UHFFFAOYSA-N	436.921	2.009	50	40	IEGB	
CN(CC(=O)N/N=C\c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc2ccccc2c1	33725299	IAGSGGISBLRPFJ-XKZIYDEJSA-N	425.466	2.309	50	40	IEGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC	409120133	RVSCYHOCHMSHQN-UDWIEESQSA-N	435.458	2.000	50	40	IEGB	
CCc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC(C)C)cc1OC	409163734	XBQFJKQPVLNWKA-ZMOGYAJESA-N	440.500	2.250	50	40	IEGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccncc1	20233271	WUEZEGVOWUUOPC-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
C=CCOc1cccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)c1	59516063	UHVXPJDYNQAEKX-PCLIKHOPSA-N	425.485	2.468	50	40	IEGB	
COc1cc(OC)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	101310278	UFBGKAQFHPNBKZ-FAHKWEDYSA-N	439.342	2.197	50	40	IEGB	
COc1ccc(C)cc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	408777728	HDZRCISPRJRQDL-XSFVSMFZSA-N	434.474	2.218	50	40	IEGB	
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1	25499172	OIMOXGMFPGMFCU-HNNXBMFYSA-N	425.441	2.117	50	40	IEGB	
Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408672419	ZBANCIKMEUIZDX-HNNXBMFYSA-N	429.860	2.006	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	409151279	FWSUYAPZQOEVIL-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	19954873	HYHRJONQEVLIBK-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
O=C(COc1ccc(/C=N\NC(=O)CC(=O)NC2CCCCC2)cc1)NCc1ccco1	58873127	AJIMMSTYZYXIQW-QFEZKATASA-N	440.500	2.264	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	409184821	ODHOTJZOCGTBQE-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
CO[C@@]1(N)C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CCl)CO[C@@H]21	196279802	ROPOSMFNRIYAPG-YADHBBJMSA-N	428.872	2.312	50	40	IEGB	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	3375705	OVEHAAYJWJIPNF-UHFFFAOYSA-N	445.541	2.400	50	40	IEGB	
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)NNC(=O)c1cccnc1	8819267	SFYQXJBQAFMVGX-XNTDXEJSSA-N	430.486	2.273	50	40	IEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc(-n3cccn3)cc2)cc1	21471859	KKYRPCVGDWNBEN-UHFFFAOYSA-N	435.484	2.337	50	40	IEGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1OS(C)(=O)=O	195759841	HCVLSAYBYNJZIU-FRRDWIJNSA-N	443.602	2.063	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1	409266403	WOPJMTIDRMJWKS-LUILSVGHSA-N	426.473	2.078	50	40	IEGB	
O=C(CN1CCN(c2ccc(F)cc2)CC1)NNC(=O)c1ccc(Br)cc1	37228442	YMAIPMONYIHBFA-UHFFFAOYSA-N	435.297	2.171	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1c(C)cccc1C	409265099	MQFWQWPITCBSIZ-WYMPLXKRSA-N	438.484	2.058	50	40	IEGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2ccc(Cl)cc2Cl)cc1	2318471	UHDPQAPYSAVVPR-UHFFFAOYSA-N	432.285	2.340	50	40	IEGB	
C[C@@]1(C(=O)NNC(=O)[C@]2(C)CC2(Br)Br)C[C@@H]1Br	3110510	DIAHWIUTKFYPQO-NGESMGFYSA-N	432.938	2.203	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C(=O)NCC(C)C)c1OCC(=O)Nc1ccccc1C	408611754	SBKFGSVKWSVBIS-DHRITJCHSA-N	440.500	2.243	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(OC)c1	409171302	ZRETZQXRXIUEHK-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
O=C(NNS(=O)(=O)c1cc(Br)ccc1Br)c1cccnc1	11635144	UVPOGKNTGRUWMV-UHFFFAOYSA-N	435.097	2.230	50	40	IEGB	
C[C@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)C[C@@H](C)O1	13648525	VWSVMCSEYRAWBQ-CLTATDAWSA-N	433.468	2.124	50	40	IEGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1	19898428	UUOAYGUKERYBTJ-MFKUBSTISA-N	438.528	2.186	50	40	IEGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3cccc(C)n3)c2)cc1	24463803	SKVGOBPZHHMABB-UHFFFAOYSA-N	440.481	2.274	50	40	IEGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)CCSCC(N)=O)cc2)cc1	32772292	LHBWYCAKNRCNDN-UHFFFAOYSA-N	431.514	2.034	50	40	IEGB	
COc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2Cl)cc1	408646090	OKNPUXFFKVJWPC-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409168559	MPFJVUSPVSZBLX-VULFUBBASA-N	444.919	2.402	50	40	IEGB	
C[C@@H](/C=N/NC(=O)c1nnn(-c2nonc2N)c1CN1CCCCCC1)c1ccccc1	1023008	IDRHEYFIXBARBZ-LUILSVGHSA-N	437.508	2.128	50	40	IEGB	
COc1cc(C(=O)NNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)ccc1OC(C)C	12536189	PDRVPGFQKLGHDC-UHFFFAOYSA-N	435.502	2.237	50	40	IEGB	
O=C(N[C@@H](C(=O)NNC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1)c1cccs1	25529430	YCVWMNHWIZBXAA-PKOBYXMFSA-N	437.477	2.207	50	40	IEGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1	408999205	SZVJXTFOYFEREN-ZVHZXABRSA-N	438.484	2.222	50	40	IEGB	
O=C(CC(=O)Nc1cccc(Cl)c1)NNCC(=O)Nc1nnc(-c2ccccc2)s1	1628507	DIAURNOGQWMBSF-UHFFFAOYSA-N	444.904	2.447	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)CN2CCCc3ccccc32)nnc1-c1ccco1	9130925	ATIOMSTVDAMEHJ-UHFFFAOYSA-N	440.529	2.250	50	40	IEGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)c1	12894768	GGHAGSAANUJIFG-AWEZNQCLSA-N	429.498	2.240	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1c(C)cccc1C	409170943	YFRAGSFTFDOLHJ-WYMPLXKRSA-N	440.500	2.304	50	40	IEGB	
CCOC(=O)C1=c2s/c(=C/c3cccs3)c(=O)n2C(N)=C(C#N)[C@@H]1c1cccs1	13635612	AQQRLFFHPCCEGF-AAWPKVBNSA-N	441.559	2.024	50	40	IEGB	
COc1c(C[C@H]2CC(c3ccc(F)cc3)=NO2)c(/C=N/NC(N)=O)c2c(c1OC)OCO2	15086089	ACIOOMFYBIUQLJ-SWAVRVTPSA-N	444.419	2.310	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2)cc1	1058368	HTPWCQHTQDVMGD-KGENOOAVSA-N	430.486	2.454	50	40	IEGB	
Cc1cccc(NC(=O)COc2cccc(/C=N/NC(=O)C(=O)NCc3ccco3)c2)c1	409253396	BEQPXWLLXCJLQO-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
CCOC(=O)N1CCC2(CC1)[C@H]1CN(C(=O)OCC)CC=C1C(C#N)=C(N)C2(C#N)C#N	2289190	GXPPJOTUIFGCJH-KRWDZBQOSA-N	438.488	2.023	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3cccc(F)c3)nnn2-c2nonc2N)c1	2336422	BZOBRYTYRQKGNB-FOKLQQMPSA-N	436.407	2.201	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1cccc(C(F)(F)F)c1	12857013	XLGQSZGCKQSXJV-UHFFFAOYSA-N	426.214	2.430	50	40	IEGB	
CCCCCn1nc(C(=O)NNS(=O)(=O)c2cccc(F)c2)c2ccccc2c1=O	14254668	DPAFZJGGFUODDC-UHFFFAOYSA-N	432.477	2.349	50	40	IEGB	
COc1ccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1Cl	103517481	IHJJJQDEPJRDBI-NCPSJORJSA-N	435.889	2.040	50	40	IEGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)OCc1ccccc1	408991252	PXSCQGTWOWJCPS-AZCDICLMSA-N	436.428	2.306	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	8768384	AMMMZLKOVCOYSJ-SFHVURJKSA-N	428.441	2.448	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc4c(c3)OCO4)CC2)cc1	705541	CDKUPERCEVWHQJ-LPYMAVHISA-N	429.498	2.275	50	40	IEGB	
O=C(NNC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(Br)cc1	12853545	XLBOUAWDRGGCTQ-UHFFFAOYSA-N	431.206	2.013	50	40	IEGB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1	19637898	BSHUCLRBFUVBTA-BOPFTXTBSA-N	443.441	2.131	50	40	IEGB	
CC(C)N1C(=O)[C@@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Br)ccc21	79485584	JGLZDGWJWVUJJV-HXUWFJFHSA-N	443.301	2.328	50	40	IEGB	
O=C(OC(=O)C(F)(F)I)C(F)(F)I	167929701	ZLHOKSRSKKGJND-UHFFFAOYSA-N	425.841	2.112	50	40	IEGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OCC(=O)N2CCOCC2)cc1	409021097	XWHXFCBOCNHYBG-QRVIBDJDSA-N	431.876	2.107	50	40	IEGB	
CN1C(=C(C#N)C(=O)CSc2ccc(S(=O)(=O)N(C)C)cn2)N(C)c2ccccc21	31745449	JLTNCCAXNYQZQV-UHFFFAOYSA-N	443.554	2.314	50	40	IEGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H](O)COCc2ccccc2)CC1	33516473	BKUFLSGDQZEVAA-SGCYSOCQSA-N	440.500	2.335	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)c(OC)c1	408866569	IANOYLYCTOBCTM-UFFVCSGVSA-N	443.884	2.413	50	40	IEGB	
COCCNC(=O)C(=O)N/N=C/c1cccc(OC)c1OCc1c(F)cccc1Cl	408606538	MHBCCZCBDWRESD-BHGWPJFGSA-N	437.855	2.279	50	40	IEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(=O)N1CCOCC1	1438049	AJUTVIQIFFFUHR-GOSISDBHSA-N	425.445	2.166	50	40	IEGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3ccc(N(C)C)cc3)nnn2-c2nonc2N)cc1	2403374	VQRHHNJWDGZIJW-FSJBWODESA-N	431.460	2.038	50	40	IEGB	
CCOc1ccc(-n2nnc3c(N4CCN(C(=O)CCCCl)CC4)ncnc32)cc1	9851273	BTDZLQKFRPZIBJ-UHFFFAOYSA-N	429.912	2.277	50	40	IEGB	
COc1ccccc1NS(=O)(=O)c1ccc(N/C=C2\C(=O)NC(=O)C(C#N)=C2C)cc1	16694116	KJYISAJAOFRXFQ-ATVHPVEESA-N	438.465	2.288	50	40	IEGB	
COC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccccc3)CC2)nc2c(C)cccn2c1=O	20170905	UNEPNQRTOOKYLA-HMMYKYKNSA-N	443.507	2.405	50	40	IEGB	
O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NNC(=S)Nc1ccccc1	28618105	CUOWETYLFXXUOU-UHFFFAOYSA-N	446.476	2.392	50	40	IEGB	
Cc1c(C(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)cc([N+](=O)[O-])cc1[N+](=O)[O-]	101660731	PCLQYNRHCJFXEN-UHFFFAOYSA-N	448.304	2.011	50	40	IEGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1	408906757	KBTSMSVYPVTXQH-NGZBARDMSA-N	430.417	2.117	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccc(C)c(C)c1	409165780	BMOUXBUMJMXKCF-WYMPLXKRSA-N	440.500	2.304	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccccc2Br)cc1	16187145	DJYJIWLBHPPEPD-YBFXNURJSA-N	440.319	2.229	50	40	IEGB	
Cc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1C	57532060	VPZNODGPYXECGU-MRXNPFEDSA-N	443.887	2.314	50	40	IEGB	
Cc1cc(C)cc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1	408663418	YCBKJKBAGQQWAR-INIZCTEOSA-N	443.887	2.314	50	40	IEGB	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@H]1c1ccccc1Cl	13027313	ZELSWMRRHXZEIW-SJORKVTESA-N	433.917	2.433	50	40	IEGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)cc2C1	24305871	XHORJSZZAWYOAC-FPTDNZKUSA-N	446.573	2.381	50	40	IEGB	
CS(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	58433271	DDLMIVOIXWKRQC-KRWDZBQOSA-N	447.582	2.165	50	40	IEGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	12818034	SEZYHSMNKIDPOC-UHFFFAOYSA-N	445.541	2.318	50	40	IEGB	
CC/C(=N\NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O)c1ccc(OC)c(OC)c1	20210218	DDGSTEWDKVQBNJ-RELWKKBWSA-N	449.529	2.409	50	40	IEGB	
CN(C)c1cccc(C(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1	138574475	MSWHLGHKIHSWFC-MYYYXRDXSA-N	433.512	2.330	50	40	IEGB	
COc1cc(/C=N/NC(=O)C2CCN(C[C@H](O)COCc3ccccc3)CC2)ccc1O	11852193	XLXGJVDIRXBJDZ-NFCNUSAFSA-N	441.528	2.141	50	40	IEGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2C1	24305877	XHORJSZZAWYOAC-JLCFBVMHSA-N	446.573	2.381	50	40	IEGB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2cccc(B(O)O)c2)n1	585293232	DPRYSFPEXFDJFB-JOCHJYFZSA-N	428.305	2.202	50	40	IEGB	
Cc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CN(C)c2ccccc2)s1	9293343	XBQDVIQDNLZMQA-UFFVCSGVSA-N	437.489	2.003	50	40	IEGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccc(Cl)cc1	138529382	SIOBVAQSVBZVSA-DKJTXKKOSA-N	428.666	2.393	50	40	IEGB	
Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1C	408654157	JVDYXFKFVONWIG-HNNXBMFYSA-N	443.887	2.314	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2cccc(OC)c2O)S(C)(=O)=O)cc1	408922025	OGIMCZRBDWAODE-HADWXUJASA-N	435.502	2.104	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccccc1	409154079	MQQBJTBLRGVWFT-AFUMVMLFSA-N	440.500	2.325	50	40	IEGB	
COc1ccc(OCC(=O)NNC(=O)c2nn(-c3ccccc3)c(=O)c3ccccc23)cc1	3341341	QVAARCKZMPEXPX-UHFFFAOYSA-N	444.447	2.234	50	40	IEGB	
CCOC(=O)C1=C2S[C@H](CC(=O)OC)C(=O)N2C(N)=C(C#N)[C@H]1c1ccccc1Cl	1413658	OYTZXLASSKYRLT-UKRRQHHQSA-N	447.900	2.413	50	40	IEGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)N2CCCC2)=C(C#N)[C@@H]1c1ccccc1Cl	13027306	ZELSWMRRHXZEIW-DLBZAZTESA-N	433.917	2.433	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)ccc1O	19954192	AYOMUYWOLRTAEJ-RGVLZGJSSA-N	425.894	2.361	50	40	IEGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(O)cc1	408731032	KBNXPQASFAVCCD-VXLYETTFSA-N	441.429	2.489	50	40	IEGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	409220865	HBNLSBRGIGVGKP-RGVLZGJSSA-N	430.490	2.081	50	40	IEGB	
CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	842934	NJNIYKVGFSNFEB-UHFFFAOYSA-N	440.548	2.204	50	40	IEGB	
COc1cc(C(=O)NNS(=O)(=O)c2cc([N+](=O)[O-])ccc2F)ccc1OC(C)C	36392297	WMUGMHRAFVKREW-UHFFFAOYSA-N	427.410	2.153	50	40	IEGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc(I)c1OC	59419113	KWOKNYQLSTZFOY-RPJLVFAOSA-N	440.237	2.492	50	40	IEGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)C(=O)N1CCOCC1	408760342	WZURNXQNDMWVMP-DTQAZKPQSA-N	443.437	2.128	50	40	IEGB	
COc1ccc(CCNC(=O)CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1OC	408973688	OSICGOCQTUEONO-OEAKJJBVSA-N	428.445	2.201	50	40	IEGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1	9467557	SVUYADGELVMCKA-UHFFFAOYSA-N	437.905	2.295	50	40	IEGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	19952694	BBHQDYQPOXOLED-LPYMAVHISA-N	439.453	2.335	50	40	IEGB	
C/C(=N\NC(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20208626	RHHWDXFFCNIOPP-CJLVFECKSA-N	431.514	2.381	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@@H](OCC)[C@H]1[C@H]1[C@@H](OCC)CC(C#N)=C[C@@]12C(=O)OCC	100643634	JSGWTFQNBMFHIF-UFLXFJMASA-N	444.484	2.185	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1cccc(C(F)(F)F)c1	408790355	QRALEOTYBDZKOJ-LSFURLLWSA-N	443.403	2.350	50	40	IEGB	
Cc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3cccc(C)c3)n2C)cc1	2074568	TUXSRQLSUJSPDE-UHFFFAOYSA-N	425.514	2.417	50	40	IEGB	
CCCNC(=S)NNC(=O)c1cc(-c2cnn(C)c2C)nc2c1c(C)nn2CCC	17096093	HWXZVUAJNBVMRJ-UHFFFAOYSA-N	428.566	2.378	50	40	IEGB	
COc1ccc(OC)c(N2C(=O)C[C@@H](NNC(=O)c3ccccc3Br)C2=O)c1	100120054	FPQCHIYEMMUQLO-CQSZACIVSA-N	448.273	2.033	50	40	IEGB	
COc1ccccc1C(=O)NCC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	100502906	WRDIBPVZEYQOHA-WEMUOSSPSA-N	442.475	2.492	50	40	IEGB	
COc1cc(OC)c(N2/C(=N\C(=O)CCl)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl	101310274	UFBGKAQFHPNBKZ-SIXFMEBTSA-N	439.342	2.197	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)C(Cl)Cl)s2)cc1O	408731381	MAMLKNNWBSUXMT-CNHKJKLMSA-N	432.289	2.077	50	40	IEGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCC(=O)N4CCOCC4)cc3)oc12	409221148	LOUGZBHQUPYABV-ZVHZXABRSA-N	437.452	2.443	50	40	IEGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)/C(C#N)=C(/C)N)cc1	103089312	KQWQZRFJHRFKQX-VKAVYKQESA-N	443.481	2.002	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1	408969345	MGOGNIOCNREIOE-OEAKJJBVSA-N	449.504	2.394	50	40	IEGB	
COc1ccc(CC(=O)NNC(=O)CSc2nc(O)cc(-c3cccs3)n2)cc1	18191217	JMMTUNHRSXCPIP-UHFFFAOYSA-N	430.511	2.402	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1	58916279	QFFGVVIDAUMOMV-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccc(C)cc2)ccc1O	2374831	QTSAJHIWKGNIPD-FOKLQQMPSA-N	448.443	2.076	50	40	IEGB	
CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccnc1	2377952	DLHOTEXBXIERNA-IBGZPJMESA-N	445.479	2.304	50	40	IEGB	
COc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1	58880660	IZJQSIYRGFJUBE-BUVRLJJBSA-N	438.484	2.175	50	40	IEGB	
COc1cccc(C(=O)N/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1	408740190	DTAXVMKJTHNUHJ-SBUZPKSBSA-N	430.873	2.128	50	40	IEGB	
COc1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc(Cl)c1OCC(=O)O	409237093	IXFSQWNRARIBID-IFRROFPPSA-N	438.893	2.461	50	40	IEGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	3200574	RYIMZCLYQWHUKG-LPYMAVHISA-N	439.440	2.073	50	40	IEGB	
CCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1	12137285	CPTOUIXPVKQQFP-UHFFFAOYSA-N	447.513	2.451	50	40	IEGB	
O=C(O)[C@H]1[C@H]2C[C@@H]3[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1[C@@H]1c4sc(=O)[nH]c4S[C@H]2[C@@H]13	100944566	KSKYMHXYFVXPIQ-KJZBBKMASA-N	446.462	2.453	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1	408740086	DEHOHHVLUSXVRW-IEEVUCOHSA-N	445.844	2.028	50	40	IEGB	
CC/C(NNC(=O)c1ccccc1O)=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	13592764	LITBDLOURSFLJF-PEZBUJJGSA-N	428.832	2.227	50	40	IEGB	
Cc1cc(C(=O)NNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)o1	15994511	NLIDRVYRCVDHMD-UHFFFAOYSA-N	433.530	2.465	50	40	IEGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@H]2[C@@H](c3cc([N+](=O)[O-])ccc3O)c3sc(=O)[nH]c3S[C@H]21	245241846	QXNADULDDZGURB-UDONIMFZSA-N	446.462	2.238	50	40	IEGB	
CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccc(Br)cc2)c1	12536294	UTKCJHBXFXNCCR-UHFFFAOYSA-N	426.292	2.286	50	40	IEGB	
COc1cc(C(=O)NNC(=O)CNC(=O)c2ccc(F)cc2)ccc1OCCC(C)C	14251702	AHKVLRQBWAKSEQ-UHFFFAOYSA-N	431.464	2.450	50	40	IEGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1cc(OC)c(O)c([N+](=O)[O-])c1	408906760	KBTSMSVYPVTXQH-VRCTWVPOSA-N	430.417	2.117	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCC(=O)N1CCOCC1	409196725	WNLYEIJLFREQDA-HYARGMPZSA-N	431.514	2.077	50	40	IEGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(OCC)c2)cc1OC	409311438	GBFPJSLVAJWCEK-CFRMEGHHSA-N	427.457	2.287	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	14008826	KSZWRJDZFBYHMK-UHFFFAOYSA-N	425.363	2.130	50	40	IEGB	
CC(=O)c1ccc(OCCCC(=O)NNC(=O)c2sc(N3CCOCC3)nc2C)cc1	14069598	JTZCUHVJQQMRMH-UHFFFAOYSA-N	446.529	2.111	50	40	IEGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	19951221	LYNADEABZUJCPR-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
CN(C)c1cccc(C(=O)NNC(=O)c2occc2CS(=O)(=O)c2ccccc2)c1	22023881	CMTHCKSMJQLQJG-UHFFFAOYSA-N	427.482	2.394	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C(\C)c2ccccc2O)S(C)(=O)=O)cc1Cl	408783010	LXQYIXYZDBQNCW-UDWIEESQSA-N	425.894	2.361	50	40	IEGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cccc(O)c2)c1C#N	1499539	SFJUWSWWFWZJAN-ODCIPOBUSA-N	433.262	2.405	50	40	IEGB	
Cn1c(SCC(=O)NNC(=O)c2ccccc2Br)nnc1C(F)(F)F	9119825	IUHNIDMNSBYRRL-UHFFFAOYSA-N	438.229	2.150	50	40	IEGB	
COc1ccc(/C(C)=N/NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	9140839	IZPWWSWHOCAYKS-HAVVHWLPSA-N	445.541	2.189	50	40	IEGB	
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)c3ccccc3F)cc2)cc1	9442615	DWVUDIQBOFOKOY-UHFFFAOYSA-N	446.438	2.321	50	40	IEGB	
Cc1ccc(NC(=O)CSCC(=O)NNC(=O)c2cc(Br)cn2C)cc1	16270483	ZKHOWQXLMMNJNP-UHFFFAOYSA-N	439.335	2.229	50	40	IEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1C(=O)OCC	71195288	IZUYUNHMLXIPLP-MRXNPFEDSA-N	432.864	2.459	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1	408907807	SIBGUFTYZMKZJN-QQHUYRGFSA-N	447.513	2.315	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1	14245581	ODMUIDPECBHZAM-UHFFFAOYSA-N	439.921	2.291	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1O[C@@H](C)C(=O)O	15944742	VSOSVKACNGBIJC-PUFAJPFRSA-N	431.401	2.375	50	40	IEGB	
COc1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc1OC	2057414	OBZJTUJTWZAMMH-JGHSGIRGSA-N	427.457	2.337	50	40	IEGB	
Cc1ccc(S(=O)(=O)/N=C(\O)NNC(=O)COc2ccc(OC(F)(F)F)cc2)cc1	2532718	AZFYBMNLJOHHPA-UHFFFAOYSA-N	447.391	2.196	50	40	IEGB	
COc1ccccc1NCC(=O)NNC(=O)c1occc1CS(=O)(=O)c1ccccc1	22284629	AQFZINGECYWWEO-UHFFFAOYSA-N	443.481	2.135	50	40	IEGB	
C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	100035552	MZFYLQNFOGESMH-RGVLZGJSSA-N	444.360	2.475	50	40	IEGB	
CCN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21	103461870	PYIGXLSCSAWCNA-ATJXCDBQSA-N	440.525	2.362	50	40	IEGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1OC	409231874	LHJUOWPYDRKETL-UFFVCSGVSA-N	432.502	2.286	50	40	IEGB	
NS(=O)(=O)c1ccc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	3765104	IATBMYZIJRKWEY-UHFFFAOYSA-N	440.550	2.484	50	40	IEGB	
N#C/C(C(=O)NN1CCOCC1)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	9970599	AAANRNUBIXFQID-LOKSUBMMSA-N	434.521	2.476	50	40	IEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1	16693920	HGHQPFGCXRRONC-GDNBJRDFSA-N	429.483	2.078	50	40	IEGB	
CC(C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=O)COc1cccc(Br)c1	40160406	VOBHXKNYHQAKOD-SFHVURJKSA-N	448.317	2.430	50	40	IEGB	
CCNC(=S)NNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	1832338	BZFFTVKHUIBCOL-UHFFFAOYSA-N	427.555	2.301	50	40	IEGB	
Cc1ccc2c(c1)S[C@@H](C(=O)NNC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)C2	10124892	LAFJWTBCDSZNHM-LJQANCHMSA-N	445.566	2.258	50	40	IEGB	
CCOc1ccc(C(=O)N[C@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1	12864304	WVIUKKBPHZCUTB-SFHVURJKSA-N	428.445	2.209	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)Nc1cccc(Cl)c1	58874033	WVLFPUFIRVDWHB-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
COc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OC	408758785	REINNCAKMMTUSR-KPKJPENVSA-N	428.226	2.074	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1OC	408778373	SIUCAELQHMSUPL-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
NNC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Br)cc1	409092745	WDWVFLQJPMTCTI-UHFFFAOYSA-N	432.727	2.283	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OC)c1	409163757	XKSDHKGJXFXALS-AFUMVMLFSA-N	438.484	2.027	50	40	IEGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1	409379345	WIJBCZCBFGIMOX-ZCLUNYJNSA-N	433.464	2.152	50	40	IEGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1	409388266	TVXOUHPAMCPPRO-XMODTWTHSA-N	449.463	2.053	50	40	IEGB	
CCOC(=O)C1=C(C)N(c2nonc2NC(C)=O)C(N)=C(C#N)[C@H]1c1ccccc1F	1074212	VDFWUEAAQYQFLX-MRXNPFEDSA-N	426.408	2.302	50	40	IEGB	
COc1cc(OC)c(/C=N/NC(=O)c2nc3nc(C)cc(C)n3n2)cc1Br	1081950	SUISIOAGKYIRRQ-UFWORHAWSA-N	433.266	2.285	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3cccc(OC)c3)nnn2-c2nonc2N)cc1	2391033	WMRZXAOMZGNXRR-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
C/C(=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccc(Cl)cc1	12467731	NJYUPWYTTUGDCN-QJOMJCCJSA-N	448.976	2.495	50	40	IEGB	
C[C@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(S(C)(=O)=O)cc1	12734354	VIGLIUPTJCDCPY-NSHDSACASA-N	441.303	2.081	50	40	IEGB	
COc1cc(/C=N/NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc(OC)c1OC	19901447	ISMVWHMLQIEOBE-KOEQRZSOSA-N	440.544	2.370	50	40	IEGB	
COC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC	408907482	PBJQOSKZBCMKBS-CNRHGSOZSA-N	449.485	2.145	50	40	IEGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3ccccc3C(=O)O)CC2)c1	9762110	SJHARCKHSAVCEI-ZVHZXABRSA-N	439.468	2.405	50	40	IEGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	17355353	YNWHVTYIJQEYIQ-AFUMVMLFSA-N	444.451	2.255	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2c(C)cc(COC)c(C#N)c2=O)c(OC)c1	98087080	JPYPTZPDRAVHPX-DHRITJCHSA-N	439.516	2.180	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1ccc([N+](=O)[O-])cc1	408740087	DEHOHHVLUSXVRW-UMXKZIAQSA-N	445.844	2.028	50	40	IEGB	
O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)N/N=C/c1ccc(Cl)cc1	8684024	LHMLMTFCTPVCHR-YDZHTSKRSA-N	448.932	2.005	50	40	IEGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC	8722477	UOESBOBJYDZSRR-KGENOOAVSA-N	435.502	2.019	50	40	IEGB	
CNS(=O)(=O)c1ccc(Br)c(C(=O)NNC(=O)c2ccccc2Cl)c1	9283953	GGWRJQZQJRHOEZ-UHFFFAOYSA-N	446.710	2.085	50	40	IEGB	
C[C@@]1(C(=O)NNC(=O)[C@@]2(C)CC2(Br)Br)C[C@H]1Br	12384407	DIAHWIUTKFYPQO-JISRMSBWSA-N	432.938	2.203	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OCC)c1	409156902	UDIRYUXIXYVYDK-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
CN(CC(=O)N/N=C/c1cc(Br)ccc1O)S(=O)(=O)c1ccc(F)cc1	16186801	WZOYVCIKVZXCPW-DJKKODMXSA-N	444.282	2.065	50	40	IEGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(I)c1OCC	409226319	MYCBPLIGYZDJPK-YHYXMXQVSA-N	429.214	2.190	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)c(OC)c1	12737293	KYIJYSABNVFPLX-UHFFFAOYSA-N	444.465	2.346	50	40	IEGB	
CN1CCC(=NNC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(C)(=O)=O)CC1	20213398	FNNMWVXXEKBLGS-UHFFFAOYSA-N	440.875	2.323	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)c2ccc(OC)cc2)nnc1-c1ccc(O)cc1	6878292	XUMOBDCMJQHLEC-UHFFFAOYSA-N	427.486	2.233	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	8768386	AMMMZLKOVCOYSJ-GOSISDBHSA-N	428.441	2.448	50	40	IEGB	
CC1=CC[C@](C(=O)O)(C(=O)NNC=C2C(=O)OC(C)(C)OC2=O)[C@H](c2ccc(F)cc2)C1	8782921	NAZDLDCIHXDVOG-KSFYIVLOSA-N	446.431	2.061	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)[C@H]2COc3ccccc3O2)nnc1-c1cccs1	10025663	KCBUAJKFQLVWRA-CQSZACIVSA-N	445.526	2.106	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccccc2C(F)(F)F)c1	409163368	QLGZOBHOGFNRJR-RPPGKUMJSA-N	448.401	2.475	50	40	IEGB	
CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc(NC(C)=O)c(OC)c2)cc1	13058926	JEZOBSUWYRUSJQ-UHFFFAOYSA-N	434.518	2.123	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2ccc(Cl)cc2)cc1OC	16186934	VTNIDOPKJLYAMA-RGVLZGJSSA-N	425.894	2.128	50	40	IEGB	
COc1ccccc1OCC(=O)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1	16839307	DNFJLKVDBHGVNU-UHFFFAOYSA-N	441.871	2.399	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2Br)S(C)(=O)=O)cc1	20210360	KHMOLUURPGNSCZ-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1	25422712	VUXBVKJBXXUEFO-FJAMSSDQSA-N	439.493	2.309	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1c[nH]c2ccccc12	408732711	XRTFZZYERBSMIX-SSDVNMTOSA-N	449.452	2.873	50	40	IEGB	
COc1ccc(OCC(=O)N/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1	408850549	BTRKOXLDKVKEAZ-JAIQZWGSSA-N	438.278	2.416	50	40	IEGB	
COc1cc(OC)cc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c1	2617444	UMZUMIOVOUUIKT-UHFFFAOYSA-N	437.246	2.084	50	40	IEGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNC(=O)COc1ccc(Br)cc1F	9283497	KQXUSZMLPQUICI-NSHDSACASA-N	436.237	2.454	50	40	IEGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\NNC(=O)c1ccccc1[N+](=O)[O-]	16693848	HKHHVFWBCNXTIL-PDGQHHTCSA-N	431.408	2.122	50	40	IEGB	
COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)cc1	408535693	OLLMSIJVCVEZDS-NZYROCMPSA-N	430.420	2.463	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O)c1ccccc1	408743356	VWFOFNQHZYYTOD-ANKPHQHTSA-N	445.298	2.229	50	40	IEGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)c(OC)c1	409055232	KOUVOCGUVJZORO-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NNC(=O)c3ccco3)cc2)cc1	3432753	WZICDYARFMHOIR-UHFFFAOYSA-N	443.481	2.253	50	40	IEGB	
COc1cc(C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc(OC)c1OC	8738285	QHSOQFZJNNJVSY-CABCVRRESA-N	429.498	2.152	50	40	IEGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1)Nc1cccc(C(F)(F)F)c1	15014045	SMRIFDGQXVNZCC-OPEKNORGSA-N	448.401	2.452	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	408925799	QJCBNNJIZUBYAG-QQHUYRGFSA-N	449.529	2.407	50	40	IEGB	
COc1ccc(OC)c(N2C(=O)C[C@H](NNC(=O)c3ccccc3Br)C2=O)c1	2361510	FPQCHIYEMMUQLO-AWEZNQCLSA-N	448.273	2.033	50	40	IEGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	108011064	YFMAJEYTQCLBRN-NDENLUEZSA-N	438.893	2.203	50	40	IEGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1OC	409326227	IOKFETOQAGSTEQ-RMORIDSASA-N	435.864	2.384	50	40	IEGB	
CCc1ccccc1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	11532644	VGAMDZDTARQHRO-INIZCTEOSA-N	443.887	2.260	50	40	IEGB	
C/C(=N\NC(=O)c1c(CN2CCCC2)nnn1-c1nonc1N)c1cccc2ccccc12	25783337	RSXWQWNJHXAELV-ZVHZXABRSA-N	445.487	2.136	50	40	IEGB	
CCCCc1nc(C)c(C(=O)NNC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)s1	32924447	RLUGTZLOOSBBPE-UHFFFAOYSA-N	438.575	2.184	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2F)cc1)NCc1ccco1	58880980	GGGBHLRZAKBUBO-BRJLIKDPSA-N	438.415	2.203	50	40	IEGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1	409253482	BMTGBUOSQPEDGT-BUVRLJJBSA-N	438.484	2.175	50	40	IEGB	
COc1ccc(CC(=O)NNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1	9805656	OJRUMROVYHIFHP-UHFFFAOYSA-N	440.283	2.347	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	19953770	ACDSYPWUUCQWRZ-GNUZOCDUSA-N	434.474	2.298	50	40	IEGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1	2343087	MGNKFTJFQNDWQM-SECBINFHSA-N	427.276	2.408	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2cccs2)cc1S(=O)(=O)N1CCCC[C@@H]1C	12948509	YBUUGFOADGOPRB-ZDUSSCGKSA-N	437.543	2.395	50	40	IEGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)C(=O)Nc2cc(C)ccc2OC)c(OC)c1	13562699	MXIIRENSKYFBAD-AFUMVMLFSA-N	442.472	2.480	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1OC	16267317	KPOXRDRBRRBSHS-WSDLNYQXSA-N	433.530	2.400	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1CNc1ccccc1	36618851	XCGLBUQHHQIOEG-OPEKNORGSA-N	442.443	2.090	50	40	IEGB	
COc1cccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)c1O	408857491	HFIPOZKZVBTUHM-GKXUUXLPSA-N	437.905	2.358	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccc3OC)nnn2-c2nonc2N)c1	13787909	DHDSDTKMOGYLHT-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
[N-]=[N+]=Nc1ccc(SSCCC(=O)ON2C(=O)C[C@H](S(=O)(=O)O)C2=O)cc1	100006911	XKSOTQXTPALQMY-JTQLQIEISA-N	432.461	2.232	50	40	IEGB	in-vitro
COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1[N+](=O)[O-]	408729953	LOAVOCMNLXSNBZ-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
CCOC(=O)c1c(C)oc2ccc(OCC(=O)NNC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc12	9402779	ZGWQYLYCPCNWED-HUUCEWRRSA-N	446.456	2.335	50	40	IEGB	biogenic
COc1ccccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Br)cc2)CC1=O	17330560	LRRQHRMEYOKTRE-ZDUSSCGKSA-N	432.274	2.272	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(N(C)C)cc2)cc1Cl	33782513	OCRZQINCZYQKNZ-MTJSOVHGSA-N	438.937	2.185	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)ccc1O	59516069	PVIZTDZXQLFMFI-ZVHZXABRSA-N	429.473	2.007	50	40	IEGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1OC	409160706	IFWMQGAUYVRSIO-LPYMAVHISA-N	433.530	2.430	50	40	IEGB	
C[C@@H]1CCc2c(sc3ncn(CC(=O)N/N=C4\C(=O)N(C)c5ccccc54)c(=O)c23)C1	719451	GTPBXEKUVASRPZ-PBEZBYSDSA-N	435.509	2.080	50	40	IEGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	13615198	OLUNHOHDNJZPCQ-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1Br	409012936	RYBNENAKWZVZRT-LPYMAVHISA-N	446.301	2.451	50	40	IEGB	
COc1ccc(CCN2C(=O)C[C@H](NNC(=O)c3ccccc3Br)C2=O)cc1	3375197	FSRNLFHUVLPLAD-KRWDZBQOSA-N	446.301	2.062	50	40	IEGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1	58882604	XILUBRCBLRVMJG-WEPUMBSASA-N	441.484	2.142	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)CC)ccc1O	59490262	ZJGLYTSPGVKANW-FYJGNVAPSA-N	435.502	2.106	50	40	IEGB	
COC(=O)c1c(NC(=O)C(=O)N/N=C(\C)c2ccc(O)cc2O)sc2c1CCCC2	5911548	ZJWCJYMFQFTUML-LSHDLFTRSA-N	431.470	2.304	50	40	IEGB	
O=C1N=C(O)N(c2ccc(Br)cc2)C(=O)/C1=C/NNC(=O)c1ccccc1	13810231	OYDQOOOLDUEQFG-GXDHUFHOSA-N	429.230	2.055	50	40	IEGB	
Cc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1	408530006	DOCPRDFNUNXDCM-LKKXKRCMSA-N	443.257	2.372	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1OCC(=O)NCc1ccccc1	409273482	YLDIAMGJMRBBDC-SQAVSUBZSA-N	444.919	2.400	50	40	IEGB	
Cc1occc1C(=O)NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1	14244413	PUUWAULFRXLTDB-UHFFFAOYSA-N	443.884	2.242	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1O	408972540	VCDVHLGSOHKGQV-LPYMAVHISA-N	435.477	2.091	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2ccc(I)cc2)cc1OC	840324	HVYDLMLQEMMNIY-UHFFFAOYSA-N	426.210	2.383	50	40	IEGB	
CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2nn(C(C)C)c(=O)c3ccccc23)c1C	17197043	IPUHYCFIERZLTF-UHFFFAOYSA-N	439.472	2.174	50	40	IEGB	
O=C(N[C@H](C(=O)N/N=C\c1cccc(O)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33343999	VCCMRIHYGAMKAX-RWFYVVHNSA-N	441.447	2.250	50	40	IEGB	
CCOc1ccc(NC(=O)COC(=O)[C@H]2[C@H]3C(=O)O[C@H]4[C@@H]3C[C@H]2[C@H]4Br)cc1	408689159	XRVVLQCATKKUFS-HZMAYWFUSA-N	438.274	2.138	50	40	IEGB	
CC1(C)CC(N(C(=O)CCl)[C@H]2CCS(=O)(=O)C2)CC(C)(C)N1C(=O)CCl	217376184	QBTKGWWEROUCPP-LBPRGKRZSA-N	427.394	2.028	50	40	IEGB	
COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@@H]23)c1O	245241887	SPEHUXFIJAAOEY-AISWCJQNSA-N	431.491	2.339	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1O	408971569	JBNDRYPRNFGBJY-OEAKJJBVSA-N	449.504	2.481	50	40	IEGB	
O=C(N/N=C/c1cccc(OCC(=O)N2CCCC2)c1)C(=O)Nc1ccccc1Cl	409170063	SGNNIRXBTNPDPV-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
CN(Cc1c(C(=O)N/N=C/[C@@H]2CC=CCC2)nnn1-c1nonc1N)C1CCCCC1	9307580	OUWDEOWXBGEVCU-LVCXCXRVSA-N	427.513	2.069	50	40	IEGB	
COc1ccc(C(=O)N/N=C2\SCC(=O)N2Cc2ccc3c(c2)OCO3)c(OC)c1	17886021	WLIJTGTUXZRCDX-XDOYNYLZSA-N	429.454	2.209	50	40	IEGB	
O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1cccc(O)c1	8820324	VJTJGQSGHXXWAL-RVDMUPIBSA-N	431.495	2.428	50	40	IEGB	
Cc1cc(C(=O)NNS(=O)(=O)c2ccc3c(c2)OCCO3)c(C)n1-c1ccccc1	8826437	QSCHIPHSVNBSPF-UHFFFAOYSA-N	427.482	2.489	50	40	IEGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sccc2C(N)=O)c1C	9988590	VGMFBGVHLNTTTH-OQLLNIDSSA-N	430.486	2.001	50	40	IEGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	19951226	LMSVHWDYUXZTIC-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2c(F)cccc2Cl)S(C)(=O)=O)c1	20211226	YIKOXOPPDYBPJV-UFFVCSGVSA-N	443.884	2.413	50	40	IEGB	
COc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12	9381733	XMPKHWVQDGFJAV-UHFFFAOYSA-N	448.526	2.083	50	40	IEGB	
CN(C)C(=O)CSc1ccccc1C(=O)OCC(=O)NNC(=O)c1ccc(Cl)cc1	12973849	WHZTZZCFALZKHG-UHFFFAOYSA-N	449.916	2.138	50	40	IEGB	
CC(=O)c1cccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)c1	138841725	CXFNAGYHCIRKMW-UHFFFAOYSA-N	425.441	2.002	50	40	IEGB	
CCOC(=O)COc1c(I)cc(/C=C(\C#N)C(N)=S)cc1OC	408543024	MVTMZLVMAWETHB-ONNFQVAWSA-N	446.266	2.435	50	40	IEGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccncc1	408732662	XDFYSLBUNZKOFR-VXLYETTFSA-N	426.418	2.178	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(OC)c(OC)c3)c(C)c(C#N)c2=O)cc1	409059578	QTAOJOAVIULTKM-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1	409175545	SKQIUABFYPWCTD-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc(Cl)c1OCC(N)=O	409310161	RKETUUWSQHKUMJ-RMORIDSASA-N	435.864	2.384	50	40	IEGB	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F	16782526	XGSANFVAVHYYGV-ZDUSSCGKSA-N	438.550	2.381	50	40	IEGB	
O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1ccc2c(c1)OCO2	649805	SXSOPHHAMQKMPY-UHFFFAOYSA-N	431.198	2.359	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc2c1OCO2	1852711	UAAQQDPYTZXMIW-AUUYWEPGSA-N	437.452	2.291	50	40	IEGB	
C[C@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)N2CCCCC2)cc1)c1ccccc1	59959956	CGXJSOISIXLKHC-LEBHPONQSA-N	436.512	2.405	50	40	IEGB	
COc1ccc(N(CC(=O)NN=C2CCN(Cc3ccccc3)CC2)S(C)(=O)=O)cc1	409339012	DDWRAFYTTBVGPP-UHFFFAOYSA-N	444.557	2.229	50	40	IEGB	
Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2O)nnc1-c1cccc([N+](=O)[O-])c1	9329717	RCZUQJQRBCWDOW-DJKKODMXSA-N	428.430	2.044	50	40	IEGB	
CCOC(=O)/C(C#N)=C/c1c(N2CCC[C@@H](C(=O)OCC)C2)nc2c(C)cccn2c1=O	9345904	QXUATKMFVUBQML-QRYYFKOISA-N	438.484	2.253	50	40	IEGB	
CCOc1ccccc1NC(=O)COC(=O)CCCC(=O)NNC(=O)c1ccccc1	408647004	RTVLCKXIYOZVAR-UHFFFAOYSA-N	427.457	2.199	50	40	IEGB	
COc1cc(C(=O)C/C(CCC(=O)Nc2ccccc2[N+](=O)[O-])=N\NC(N)=O)ccc1O	17194898	OXWHQTRBCYRVOJ-QRVIBDJDSA-N	443.416	2.325	50	40	IEGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NC(C)C)cc2)cc1	58872946	LJGHQAPKVNMJGO-QRVIBDJDSA-N	426.473	2.078	50	40	IEGB	
O=C(NC[C@@H]1CCCO1)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1	408708414	PWDDNOAQEYZLEQ-VYPBGABDSA-N	449.305	2.400	50	40	IEGB	
CCc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2CNc2ccccc2)cc1	2202738	OTZRIPPICWQFRE-WYMPLXKRSA-N	431.460	2.171	50	40	IEGB	
Cn1/c(=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)sc2ccccc21	9671151	FORAHPDMPLBIEX-XDOYNYLZSA-N	430.555	2.273	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	14357613	WBVOKTOGWBENQV-VVEZBPPQSA-N	429.473	2.375	50	40	IEGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3cccc(OC)c3O)c(C)c(C#N)c2=O)cc1	409062368	SODLWRJILZSIMO-MXAYSNPKSA-N	431.452	2.453	50	40	IEGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)c(OC)c1	951114	XZTGZJIARBMKCC-RVDMUPIBSA-N	434.404	2.367	50	40	IEGB	
CSc1nsc(SCC(=O)NNC(=O)CSc2nc3ccccc3o2)n1	9225780	WCVYSHPCBRFOBX-UHFFFAOYSA-N	427.558	2.433	50	40	IEGB	
O=C(CCCCCCC(=O)N/N=C/c1ccc(O)cc1O)N/N=C/c1ccc(O)cc1O	9871767	LXYNRMXLWZOADB-RNIAWFEPSA-N	442.472	2.450	50	40	IEGB	
COc1cccc(C(=O)N/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1	408740182	DTAXVMKJTHNUHJ-LKKXKRCMSA-N	430.873	2.128	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	19953724	HTRWLRGQHIECSS-QQHUYRGFSA-N	449.529	2.407	50	40	IEGB	
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(OC2CSC2)cc1)S(C)(=O)=O	20207503	ZUHKDGWUEUCHEM-SRZZPIQSSA-N	433.555	2.406	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NC3CCCCC3)c(N3CCN(C)CC3)nc12	2197970	JZAXJEUMNSKREE-OBGWFSINSA-N	434.544	2.111	50	40	IEGB	
Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)C1=O	106301406	GGNOXXJSHUQNDO-KZKMUKRCSA-N	449.467	2.204	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)CN2CCOCC2)ccc1OCc1cccc([N+](=O)[O-])c1	409002441	ZZHYJQVGEPHCHM-UCQKPKSFSA-N	442.472	2.355	50	40	IEGB	
COCCNC(=O)/C(C#N)=C/c1c(Oc2ccccc2OC)nc2c(C)cccn2c1=O	2403293	INWWSXQKXHEVQV-DTQAZKPQSA-N	434.452	2.473	50	40	IEGB	
C=CCNC(=S)NNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1	3184949	IDYOBAAEQSAZNX-MRXNPFEDSA-N	427.555	2.252	50	40	IEGB	
O=C(CN1CCOCC1)N/N=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	408735910	YDXMHMQTUDXKAR-UDWIEESQSA-N	429.389	2.078	50	40	IEGB	
COc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3F)CC2)cc1OC	408973035	XUGVNQFFDDAIOM-OEAKJJBVSA-N	449.504	2.394	50	40	IEGB	
CCCOc1c(Br)cc(/C=N\NC(=O)CN2CCOCC2)cc1OCC	409008101	TWHQAUDQJXAACS-NDENLUEZSA-N	428.327	2.419	50	40	IEGB	
Cc1ccc[n+]([C@@H]2[C@@H](c3cccnc3)C(C#N)=C([C-](C#N)C#N)N[C@@]2(O)c2cccnc2)c1	100673845	GLSILGFEZBCMGW-ICDZXHCJSA-N	433.475	2.245	50	40	IEGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3)CC2=O)cc1Cl	408644562	GPPZCOLESAPTEX-OAHLLOKOSA-N	429.860	2.006	50	40	IEGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409028038	ITUNWGIGGBSMIR-DEDYPNTBSA-N	434.474	2.300	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)ccc1O	409060924	AIBNCANQUMSXSF-ROTLSHHCSA-N	435.415	2.420	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1	409271724	WHBHEIJXDROMLR-LJGKHRNASA-N	426.473	2.078	50	40	IEGB	
COc1ccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)C(C)C)cc1OC	2057412	OBZJTUJTWZAMMH-BLXMRYOQSA-N	427.457	2.337	50	40	IEGB	
Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)NNC(=O)c1ccc(OC(C)C)cc1	40120709	SNJHLGKENNZUDO-LJQANCHMSA-N	426.452	2.153	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(Br)cc2)S(C)(=O)=O)cc1	408779357	DESIHNUWCWBVRP-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(F)c1	409122065	YPKXNLREJGSXSM-DJKKODMXSA-N	428.829	2.304	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409152952	GOOHKMLICSWGHG-OPEKNORGSA-N	436.390	2.309	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1OC	16187124	PBHHLBBHNFCJSS-RGVLZGJSSA-N	425.894	2.128	50	40	IEGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cc([N+](=O)[O-])ccc3O)c3sc(=O)[nH]c3S[C@@H]12	100872001	QXNADULDDZGURB-DCWPCGSJSA-N	446.462	2.238	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1C(=O)O)c1cccc(C(F)(F)F)c1	408776704	QKIXLIMUQZWIAG-LSHDLFTRSA-N	443.403	2.320	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1	408615195	NEHVZETZKOCSSZ-ZDUSSCGKSA-N	432.274	2.272	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(O)cc3)nnn2-c2nonc2N)cc1	1879726	DYEASJXWYWGFDC-FSJBWODESA-N	448.443	2.158	50	40	IEGB	
NNC(=O)N/N=C(\C[C@@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1	5808910	RQYFWYOKQVUJFO-KZKMUKRCSA-N	426.235	2.240	50	40	IEGB	
NC(=O)N[C@H](CC(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1	8826103	JTZSGYGCOMMFJI-OAHLLOKOSA-N	426.864	2.291	50	40	IEGB	
O=C(COc1ccc(I)cc1)N/N=C/c1cccc([N+](=O)[O-])c1O	9891846	QKJRNINAQYKYIE-CAOOACKPSA-N	441.181	2.434	50	40	IEGB	
CN(CC(=O)N/N=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Br)cc1	16187047	BNNKMMQQEZPIPE-VXLYETTFSA-N	428.283	2.359	50	40	IEGB	
CC(C)(C)OC(=O)Nc1ccc(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)cc1	21967584	GEKAFNJDFXEXQB-UHFFFAOYSA-N	447.517	2.402	50	40	IEGB	
O=C(CSc1nnc(NC2CC2)s1)NNC(=O)c1ccc(Br)cc1	22173192	JNBTXAKCCLERAO-UHFFFAOYSA-N	428.337	2.428	50	40	IEGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccc1NC(C)=O	8935211	YRDJEWDVUAJUEX-VULFUBBASA-N	439.472	2.421	50	40	IEGB	
COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3ccc(C)cc3)c(=O)c(C#N)c2C)cc1	409069351	MOSFVQXPZKSJNH-MXAYSNPKSA-N	429.436	2.272	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)NCc1ccccc1	58873440	LOKRMORXBMWGJR-WGOQTCKBSA-N	436.512	2.281	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1	409155433	RABATZHAFSMAQM-BHGWPJFGSA-N	434.855	2.473	50	40	IEGB	
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O	1774529	BNSFMBGEWHJFOZ-VBKFSLOCSA-N	427.507	2.445	50	40	IEGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	9086838	JFSLUZMFJJJKIA-SAPNQHFASA-N	427.482	2.262	50	40	IEGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CNC(=O)c1ccc2c(c1)OCO2	9996255	IWZTYDXMVNHJBY-UHFFFAOYSA-N	438.465	2.038	50	40	IEGB	
Cc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1	408653092	HVZWWDWTQDFSQW-OAHLLOKOSA-N	429.860	2.006	50	40	IEGB	
CCOc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2ccc(OC)c(OC)c2)C(C)C)cc1	13019399	POFBPWRBOMDYQA-HXUWFJFHSA-N	443.500	2.318	50	40	IEGB	
CCCCN1C(=O)c2ccc(C(=O)NNC(=O)c3cc(Br)c[nH]3)cc2C1=O	28717382	FNNGGJRYIXEVSH-UHFFFAOYSA-N	433.262	2.248	50	40	IEGB	
COC(=O)CSC1=C(C#N)[C@H](c2cccc(Br)c2)[C@H](C(=O)OC)C(=O)N1	409317930	SDUAOEADGGUXOK-KBPBESRZSA-N	439.287	2.093	50	40	IEGB	
Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NNS(=O)(=O)c3ccccc3)cs2)n1	1390584	YJIMDKNKBONUTI-UHFFFAOYSA-N	431.421	2.279	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	19953765	ACDSYPWUUCQWRZ-ZXOFLVKFSA-N	434.474	2.298	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)S(C)(=O)=O)cc1	20214861	IUJPTRCSYRSAOX-FVQJWRHTSA-N	446.529	2.349	50	40	IEGB	
N#CC(C(=O)COC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)C1)=C1Nc2ccccc2N1	9633907	NBWUCFISMVMEMF-QGZVFWFLSA-N	430.464	2.463	50	40	IEGB	
CC(C)n1nc(C(=O)NNS(=O)(=O)c2ccc(F)c(F)c2F)c2ccccc2c1=O	16095379	XFNYUFMEDVIFOB-UHFFFAOYSA-N	440.403	2.018	50	40	IEGB	
C[C@@H](NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl)c1ccccc1	408648443	YBYKFKRPBRDXCK-CQSZACIVSA-N	431.876	2.302	50	40	IEGB	
Cc1cc(Cl)ccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O	409184800	HVYMMOXECHXGKP-WSDLNYQXSA-N	434.905	2.467	50	40	IEGB	
CCCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2cc(Br)cn2C)c1	29555016	XBNQMGDRUYXAOV-UHFFFAOYSA-N	443.323	2.014	50	40	IEGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCc3nc(-c4nc[nH]n4)no3)cc2C1	78718634	LVLJNEACBMURHS-LBPRGKRZSA-N	443.533	2.461	50	40	IEGB	
O=C(CCC(=O)NNC(=O)c1ccc(Br)cc1)NCc1ccc2c(c1)OCO2	9189891	PUHBIVMUCFOQHY-UHFFFAOYSA-N	448.273	2.035	50	40	IEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(I)c(O)c1	409104216	BVKHFGSVKJCXAS-FRKPEAEDSA-N	427.154	2.375	50	40	IEGB	
O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)NNC(=O)c1ccccc1Br	13095440	BYKNPLGZIYWYAB-FUNVUKJBSA-N	437.290	2.149	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)cc1	408908931	YZCFFDLEZAMFDI-HADWXUJASA-N	435.502	2.104	50	40	IEGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	409025115	QUUQQROIEQFONX-DEDYPNTBSA-N	432.458	2.076	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1C(C)C)c1cccc(Br)c1	9463527	RFPMOHGXFSHWCS-DJKKODMXSA-N	433.270	2.272	50	40	IEGB	
C/C(=N/NC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1)c1ccncc1	13788299	YQIVAUWQUNSBQQ-QRVIBDJDSA-N	449.500	2.382	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1O	19953561	RVRXZGIVDRCVSI-HADWXUJASA-N	435.502	2.104	50	40	IEGB	
COc1cc(/C=N\NC(=O)CCN2CCN(c3ccccc3)CC2)cc(OC)c1OC	33335661	MGDNUOJVDAESMD-ULJHMMPZSA-N	426.517	2.375	50	40	IEGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccc(Br)cc1	408862532	ZYAIUJYNLBGZPD-LPYMAVHISA-N	446.301	2.451	50	40	IEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408998112	AHVDTDOUIRSZBK-YGFNIOOWSA-N	449.467	2.323	50	40	IEGB	
C=CCNC(=S)NNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1	3184950	IDYOBAAEQSAZNX-INIZCTEOSA-N	427.555	2.252	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3ccccc3O)nnn2-c2nonc2N)cc1	9456348	PSTSJUNZTMTJLM-FSJBWODESA-N	448.443	2.158	50	40	IEGB	
Cc1cc(C)c(NCC(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c(C)c1	10161947	KWYUXLADUJYNLE-UHFFFAOYSA-N	432.546	2.044	50	40	IEGB	
C/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccc(S(=O)(=O)NCC(=O)O)cc1	13365216	QPIVFOIAOPCEML-GLXUHCQUSA-N	449.554	2.390	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Br)c2)cc1	16187035	KGDBITKZAIHZIL-YBFXNURJSA-N	440.319	2.229	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)N2CCCC2)cc1)Nc1ccccc1Cl	59959944	ZBOBFRLKXIMKHN-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1	409152035	AAAGLKPMKSNSLE-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
N#CC(C(=O)COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)=C1Nc2ccccc2N1	9661890	NQRKGBGFEWTVDS-UHFFFAOYSA-N	449.423	2.430	50	40	IEGB	
Cc1c(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)O)c(=O)n(-c2ccccc2)n1C	40161159	XXWDNHBSJGFDIE-ATVHPVEESA-N	432.436	2.494	50	40	IEGB	
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNC(=O)c3cccnc3)C2=O)cc1	13496545	DYCNETFBXMYCAD-WJDWOHSUSA-N	426.523	2.443	50	40	IEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)N/N=C/c1ccc(N2CCOCC2)cc1	16400347	KWZNFAGKYRBNEC-WZGDJCGDSA-N	436.516	2.027	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1Cl	408780619	GJZNFTHGDWRIAV-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
CN1C(=O)/C(=N/NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)c2ccccc21	409346446	KQDLRCMFGGJGDZ-DARPEHSRSA-N	436.493	2.103	50	40	IEGB	
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\NC(=O)c1cccc(I)c1	9636593	YKQHITJXPKLZIR-UHFFFAOYSA-N	436.165	2.286	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccccc2OC)cc1Cl	16187495	MRJNOSMJDILEHE-JAIQZWGSSA-N	425.894	2.128	50	40	IEGB	
CN1C(=O)C[C@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)[C@H]1c1cccnc1	72284104	GZGUXWZYJWVDNQ-GBXCKJPGSA-N	444.491	2.494	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1cc(Cl)ccc1C	409163609	UXNHKTIYHJWOJP-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)s2)cc1	1953722	GOCSOSFFYBLSMF-RGVLZGJSSA-N	440.441	2.400	50	40	IEGB	
COc1c(Br)cc(/C=N/NC(=O)CN2CCOCC2)cc1Br	408735145	KDVRASKCMCNBDI-CAOOACKPSA-N	435.116	2.003	50	40	IEGB	
O[C@H]([C@H](Br)CBr)[C@@H](O)[C@H](Br)CBr	104185230	PDGJYFHAJOJUON-KAZBKCHUSA-N	433.760	2.025	50	40	IEGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1)c1ccccc1	408779304	UVXHXFMEVJOGID-UKPRUQCOSA-N	425.485	2.198	50	40	IEGB	
COc1cc(/C=C/C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	9634684	WPJLWBXARJZZRR-RUDMXATFSA-N	448.859	2.383	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)S(C)(=O)=O	20210380	JPAGICPBXOLUHW-PXLXIMEGSA-N	447.513	2.163	50	40	IEGB	
COc1ccc(/C=N\NC(=O)c2cc(OC)c(OC)c(OC)c2[N+](=O)[O-])cc1[N+](=O)[O-]	30802814	KRDAPHMUJWXLNF-OCKHKDLRSA-N	434.361	2.301	50	40	IEGB	
C/C(=N/NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCCO2	40161295	FTWWNIRLSJMTDW-JWGURIENSA-N	431.514	2.317	50	40	IEGB	
CCn1cc(C(=O)NN)c(=O)c2cc(F)c(N(C)CCc3ccc(OC)c(OC)c3)cc21	2295070	UCYUBQWCAPKLGJ-UHFFFAOYSA-N	442.491	2.460	50	40	IEGB	
COc1ccccc1/C=N/NC(=O)CN(c1cccc(Br)c1)S(C)(=O)=O	20060468	VMPRNPPPXNIOCZ-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
CCOc1ccc(NC(=O)COC(=O)[C@@H]2[C@H]3C[C@H]4[C@H](OC(=O)[C@@H]24)[C@H]3Br)cc1	408689158	XRVVLQCATKKUFS-HRTQJFGHSA-N	438.274	2.138	50	40	IEGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408867221	JNUJPONDSXXHCF-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)c1	409379996	FJHABFYUYIYKTP-NRAIQUKZSA-N	449.463	2.053	50	40	IEGB	
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)N[C@@H]1CS(=O)(=O)C[C@H]1Cl	575422750	OEENEISLQSYNOB-ZYHUDNBSSA-N	429.907	2.107	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1	2634564	LQRNKCACRHOUCU-UHFFFAOYSA-N	429.420	2.096	50	40	IEGB	
COc1c(OC(C)=O)ccc(/C=N/NC(=O)c2cncc(Br)c2)c1[N+](=O)[O-]	3186501	OLXUPYRNGVIBBS-FBCYGCLPSA-N	437.206	2.450	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1[N+](=O)[O-]	16267327	VWRATIADKLQVHN-SRZZPIQSSA-N	448.501	2.299	50	40	IEGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	19952684	RWUCVUSPIBNETA-LPYMAVHISA-N	439.453	2.335	50	40	IEGB	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	19953535	LGBQVBYSWVXHGR-CNRHGSOZSA-N	435.502	2.017	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccc(F)cc1	20211911	WEGKIMDKHXNHTM-UFFVCSGVSA-N	437.518	2.236	50	40	IEGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)cc1C	408657922	KCZHPRUUWJVGSA-INIZCTEOSA-N	443.887	2.314	50	40	IEGB	
O=C(CNC(=O)c1ccc2c(c1)OCO2)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	10735719	OVTZEXRGFQFPNA-UHFFFAOYSA-N	441.440	2.474	50	40	IEGB	
COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)c(=O)c1C#N	409210162	FHLIBESAINXZNN-GATIEOLUSA-N	448.435	2.283	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2nn(C)cc2Br)cc(Br)c1O	1089016	UCHQDCJSNDBHPC-FZSIALSZSA-N	432.072	2.423	50	40	IEGB	
Cc1ccccc1COc1cccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2C)c1	2203549	UQNPERCXUOCDMY-FOKLQQMPSA-N	432.444	2.192	50	40	IEGB	
O=C(CSc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(Br)cc1	3325062	UHTDSOKWSGWRHQ-UHFFFAOYSA-N	433.287	2.239	50	40	IEGB	
COc1ccc(CN2C(=O)/C(=C\NNC(=O)Cc3cccn3C)c3ccccc3C2=O)cc1	17859129	QSDGFZQWOLNVHL-JCMHNJIXSA-N	444.491	2.421	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(C)(=O)=O)c1	20210103	QJDPPQYKQJTKEI-GIJQJNRQSA-N	444.307	2.275	50	40	IEGB	
Cc1cc(C)nc(NNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2F)n1	22701285	RUXAQUHAGKUATO-GOSISDBHSA-N	443.504	2.265	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)c1cccc([N+](=O)[O-])c1	408743657	WTXDUGZFTMACRW-UMXKZIAQSA-N	445.844	2.028	50	40	IEGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)c(O)c(Br)c1	3081729	IPOHUBIWBHONLM-NGYBGAFCSA-N	445.067	2.390	50	40	IEGB	
Cc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1ccc2c(c1)OCCO2	12924660	JIKFCUWURWESCR-UHFFFAOYSA-N	427.276	2.152	50	40	IEGB	
O=C1OC(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]4Sc5[nH]c(=O)sc5[C@H](c5cc([N+](=O)[O-])ccc5O)[C@H]43)[C@H]12	245241847	QXNADULDDZGURB-ZQBHEHACSA-N	446.462	2.238	50	40	IEGB	
C/C(CC(=O)NC[C@@H]1CCCO1)=N\NC(=O)c1ccc(I)cc1	12528866	VVJOAPXWGLOFHF-YRIIZNAFSA-N	429.258	2.082	50	40	IEGB	
COc1cc(OC)cc(C(=O)N2CCC(C(=O)N/N=C/c3cccc(OC)c3O)CC2)c1	15225907	ANONGTBYWCZDQP-ZVHZXABRSA-N	441.484	2.421	50	40	IEGB	
CC(C)N1C(=O)[C@]2(C(C#N)=C(N)NC3=C2C(=O)OC3(C)C)c2cc(Br)ccc21	79485591	JGLZDGWJWVUJJV-FQEVSTJZSA-N	443.301	2.328	50	40	IEGB	
COc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1	408664304	PWVJCAMUFRWQOC-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
COc1ccc(OC)c(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)c1	409059085	QWDZAFPOADINDM-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
O=C(NNC(=S)NCc1ccccc1)c1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	2636225	HFCOBNFSAYMFGK-UHFFFAOYSA-N	429.487	2.173	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnnn1-c1c(C)cccc1C	12884563	VXUXOLKDSIWTPP-UHFFFAOYSA-N	446.920	2.494	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@H](NS(=O)(=O)c1ccccc1)C(C)C	12971826	RSOCOZAFQWVDQB-QGZVFWFLSA-N	439.921	2.113	50	40	IEGB	
Cc1c(C(=O)NNC(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)oc2ccccc12	17448921	FLQJTZODJZISRC-DEOSSOPVSA-N	446.463	2.286	50	40	IEGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](c1ccncc1)N1CCOCC1	20057133	BOJCAAPVCILKTL-ZFJBLLOBSA-N	433.306	2.376	50	40	IEGB	
COCCNC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	9231880	PMASQZWFMFYXTJ-WSDLNYQXSA-N	434.290	2.241	50	40	IEGB	
COc1ccc(C)cc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1	16290934	QLTKNTFHXZMWPG-UHFFFAOYSA-N	444.557	2.397	50	40	IEGB	
Cc1ccc(N2C(=O)[C@H](/C=N\NC(=O)CNc3ccc(C)c(C)c3)C(=O)NC2=S)cc1	408755472	VBERVZZUAGKNAL-YFPMVAJYSA-N	437.525	2.190	50	40	IEGB	
COC(=O)Cc1n[nH]c2c1[C@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2	6507143	KCRVMUUDPMVTGY-XMMPIXPASA-N	441.447	2.044	50	40	IEGB	
COc1ccc(NS(=O)(=O)c2ccc(N/C=C3\C(=O)NC(=O)C(C#N)=C3C)cc2)cc1	16694112	DHFCQYGQGRYHTK-UNOMPAQXSA-N	438.465	2.288	50	40	IEGB	
Cc1ccc(N(CC(=O)N/N=C/c2ccc(OC3CSC3)cc2)S(C)(=O)=O)cc1	20207883	ZXKYNVYECAEUQS-SRZZPIQSSA-N	433.555	2.406	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1)Nc1ccc(F)cc1	58873772	KFHOEEFCMVDQOV-BRJLIKDPSA-N	438.415	2.203	50	40	IEGB	
N#C/C(=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)NCc1ccccc1	408747505	OXSQJWBBYTZPAK-OOXMNIKJSA-N	438.896	2.470	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(F)cc3)nnn2-c2nonc2N)cc1	2335500	HCLVTVWSTBZQSC-FOKLQQMPSA-N	436.407	2.201	50	40	IEGB	
CC(=O)N[C@H](CSSC[C@@H](NC(C)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	77291259	CJMDURFWZHENFZ-ZIAGYGMSSA-N	436.596	2.061	50	40	IEGB	in-vitro
O=C(CCC(=O)OCC(=O)Nc1ccc(Br)cc1)NNC(=O)c1ccccc1	408644581	GVSYBJQTRPDBSN-UHFFFAOYSA-N	448.273	2.172	50	40	IEGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)c(C)c(C#N)c1=O	409067821	QBLZCUYMHQLDTQ-FMCGGJTJSA-N	432.396	2.093	50	40	IEGB	
COc1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c1	408648621	ZUUUGCGRWNOMLE-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
O=S1(=O)C[C@@H](Cl)[C@H](NC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1	575421630	KGIRQVHJZZTVEH-ZYHUDNBSSA-N	445.975	2.272	50	40	IEGB	
COc1cc(Br)c(Br)c(/C=N\NC(=O)c2cnccn2)c1O	15930429	SLCFRALBQNQYDP-DVZOWYKESA-N	430.056	2.480	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)cc1	408994045	YDTZEYJEBYVZSA-KSRKCLLLSA-N	449.467	2.184	50	40	IEGB	
O=C(COC(=O)c1ccccc1SCC(=O)N1CCCC1)NNC(=O)c1cccs1	9633044	AWJFCZBFZVYWFB-UHFFFAOYSA-N	447.538	2.081	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C2CCN(C(=S)N[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	104214080	ZZVDYFFXHSMKLH-SQEJTMPISA-N	428.558	2.402	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1cccc(O)c1	107995652	CJBHNCYCXQRYGG-VXLYETTFSA-N	426.414	2.097	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)c1	408773063	POFYWOGTNYFDEO-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@@H]2C(=O)OC)cc1Cl	409318725	XQMQJUZECBEJKP-HZPDHXFCSA-N	438.889	2.383	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1ccncc1	9331601	BVCPIEUVTLADSY-WSDLNYQXSA-N	435.473	2.074	50	40	IEGB	
O=C(NNC(=O)c1cc(Br)ccc1Cl)c1csc(N2CCOCC2)n1	12803218	NJXSCAWCZOLGOY-UHFFFAOYSA-N	445.726	2.470	50	40	IEGB	
O=C(NNC(=O)[C@@H]1COc2ccccc2O1)c1cccc(N2C(=O)c3ccccc3C2=O)c1	13074854	FYYPIPRJXSNZMW-FQEVSTJZSA-N	443.415	2.088	50	40	IEGB	
COc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c(OC)c1	408755276	JFDWQMJZDCBZHC-BOURKTIISA-N	433.530	2.465	50	40	IEGB	
COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3ccccc3C#N)o2)c(=O)c1C#N	409007967	SOBGJCSGRUDWHQ-ZRGSRPPYSA-N	429.436	2.457	50	40	IEGB	
CCc1ccc(/C=N\NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1	30735280	WLKPTJDCUAVCHJ-KQWNVCNZSA-N	428.558	2.014	50	40	IEGB	
COc1cc(OC)cc(-c2nnc(SCC(=O)NNC(=O)COc3ccccc3)o2)c1	408638548	RRQXRPCKBGIZER-UHFFFAOYSA-N	444.469	2.072	50	40	IEGB	
CC(C)C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NNC(=O)c1ccco1	9882500	BUUFDYUMWSVEAA-AWEZNQCLSA-N	447.435	2.453	50	40	IEGB	
COCCNc1ccc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1[N+](=O)[O-]	15758595	NAHYJBQLWLYJIX-HNNXBMFYSA-N	430.461	2.498	50	40	IEGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)NC(C)C)cc1	58881772	LEMPWNAKYFGAQA-FOKLQQMPSA-N	446.891	2.341	50	40	IEGB	
COc1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1	138944082	TXTVDHRADXNXKF-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(C)(=O)=O)c(OC)c1	408785112	XSPRYJXNODYZMP-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
O=C(COC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)NNC(=O)c1ccccc1	138988251	OIXRFTVUQJWRGB-SFHVURJKSA-N	431.448	2.197	50	40	IEGB	
COc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)NNC(=O)c1ccccc1	408643911	CRVSRZPYQQRKOO-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
COc1ccccc1-n1nc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c(C)c(C#N)c1=O	409065917	OAFJLAWKZMPNJN-FMCGGJTJSA-N	432.396	2.093	50	40	IEGB	
O=C(NNC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1cccc(O)c1	11676064	KOMFYNJRAVRYPH-UHFFFAOYSA-N	429.429	2.407	50	40	IEGB	
CCOC(=O)C1=c2s/c(=C/c3cccs3)c(=O)n2C(N)=C(C#N)[C@H]1c1cccs1	13635616	AQQRLFFHPCCEGF-HNRFISLBSA-N	441.559	2.024	50	40	IEGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1ccc(OCC#N)cc1)S(C)(=O)=O	20212920	QBZROSVYBFHJMA-WSDLNYQXSA-N	434.905	2.467	50	40	IEGB	
O=C1NC[C@H](c2ccccc2)[C@@H]1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	33413818	PTJPWELXLPMEHL-UODHEMIHSA-N	430.258	2.158	50	40	IEGB	
COc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CCCC3)cc2)cc1	58873429	SQQGPJUYKZVYDR-ZVHZXABRSA-N	438.484	2.222	50	40	IEGB	
COc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1	408646909	RFAPCTREQAGSOJ-UHFFFAOYSA-N	433.848	2.072	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1	409152388	FDSQNXUDYQFPCJ-WYMPLXKRSA-N	444.875	2.118	50	40	IEGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)N2CCN(C(=O)OCC)CC2)c1C	14021326	SVFOCKPJMPAEBN-CPNJWEJPSA-N	430.505	2.266	50	40	IEGB	
C/C(=N\NC(=O)CN(c1ccccc1Cl)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20209243	QGDGDQDAKWWBJN-FYJGNVAPSA-N	437.905	2.418	50	40	IEGB	
CCOc1ccc(/C(C)=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1	25783324	OPUDIBOZVUIAML-YDZHTSKRSA-N	432.444	2.452	50	40	IEGB	
CCS(=O)(=O)Nc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1	29505044	RMONWETVWMSVLY-UHFFFAOYSA-N	426.292	2.286	50	40	IEGB	
O=C1Nc2ccc(Br)cc2/C1=N\NC(=O)c1ccc(CN2CCOCC2)cc1	20033812	BFDJIKQKMZRRBX-UHFFFAOYSA-N	443.301	2.368	50	40	IEGB	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)C1CCN(C[C@@H](O)COCc2ccccc2)CC1	28628391	BKUFLSGDQZEVAA-UTKDAVAPSA-N	440.500	2.335	50	40	IEGB	
COc1cccc(C(=O)N/N=C\c2cc(Br)c(OCC(N)=O)c(OC)c2)c1	409257316	QBHKAIGBWZZLEK-NKVSQWTQSA-N	436.262	2.094	50	40	IEGB	
Cc1ccccc1-c1nnc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1C	2628453	BOZVYWXYQXWXPR-UHFFFAOYSA-N	426.458	2.252	50	40	IEGB	
Cc1c(C(=O)NNC(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)oc2ccccc12	17448919	FLQJTZODJZISRC-XMMPIXPASA-N	446.463	2.286	50	40	IEGB	
COc1ccc2c(CC(=O)OCC(=O)NNC(=O)c3ccc(OC)c(OC)c3)coc2c1	21173134	WGFIZTDRWHAKPS-UHFFFAOYSA-N	442.424	2.006	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc(OC)c2)cc1	2442984	AFJGBXYRSQCLMU-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
CCOc1ccc(C(=O)N[C@@H](C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)cc1	12864312	WVIUKKBPHZCUTB-GOSISDBHSA-N	428.445	2.209	50	40	IEGB	
C[C@@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NNC(=O)c1ccccc1	20057522	GPCACAKDQRQADE-LLVKDONJSA-N	448.455	2.202	50	40	IEGB	
O[C@H]([C@H](Br)CBr)[C@H](O)[C@H](Br)CBr	104185238	PDGJYFHAJOJUON-KVTDHHQDSA-N	433.760	2.025	50	40	IEGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1	408638232	BVRFNSXFQAPRJC-GFCCVEGCSA-N	447.245	2.171	50	40	IEGB	
COc1ccccc1N1C[C@@H](C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)CC1=O	3441266	QUNUGRILUFCZQS-AWEZNQCLSA-N	432.436	2.433	50	40	IEGB	
O=C(NNC(=O)c1cc(Cl)ccc1O)c1ccc(S(=O)(=O)NCc2ccco2)cc1	10627553	PQISFGOHKMCMBD-UHFFFAOYSA-N	449.872	2.192	50	40	IEGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)N(C)C)cc1I	59334205	ZZASQJOTWMGIJU-GHXNOFRVSA-N	428.226	2.228	50	40	IEGB	
COCCNC(=O)C(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	408604204	HSKULXYOTVCJLP-WSDLNYQXSA-N	434.290	2.241	50	40	IEGB	
COc1cc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1O	408974049	WKVHTGLLCPZDNB-LPYMAVHISA-N	435.477	2.091	50	40	IEGB	
O=C(COC(=O)Cc1c(Cl)cccc1Cl)NNC(=O)c1ccc([N+](=O)[O-])cc1	2630042	JGGTTYBYVGYQFI-UHFFFAOYSA-N	426.212	2.449	50	40	IEGB	
CCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2c1=O	2635381	GVAMUBAIQZIJLE-UHFFFAOYSA-N	434.905	2.473	50	40	IEGB	
C[C@@H](C(=O)N/N=C1\C(=O)N(C)c2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3	1783785	BSQVNRATBYEAQP-VRDSESPNSA-N	435.509	2.395	50	40	IEGB	
O=C(CCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1[N+](=O)[O-]	1868806	YJABNMKJPVEWJJ-ZIOPAAQOSA-N	426.389	2.274	50	40	IEGB	
CC(C)[C@@H](Br)C(=O)NNC(=O)[C@]1(C)CC1(Br)Br	2311811	FAZCAHMURUSVEW-MUWHJKNJSA-N	434.954	2.449	50	40	IEGB	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NN	4994718	FDNZGMRODBEPDH-MSOLQXFVSA-N	431.537	2.125	50	40	IEGB	
O=C(NNC(=O)c1nn(-c2ccc(Cl)cc2)cc1O)c1cncc(Br)c1	9316152	VMBBONLSERVCNL-UHFFFAOYSA-N	436.653	2.464	50	40	IEGB	
COc1ccc2oc(C(=O)OCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c2c1	10021167	NMSMKOLHSYOECX-UHFFFAOYSA-N	427.369	2.276	50	40	IEGB	
C=CCOc1cccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)c1	20212251	OASARNGOFYVXAB-HYARGMPZSA-N	431.514	2.485	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccsc2)c1CSc1ccccc1	2395106	TYFATLKTBXADLJ-UFWORHAWSA-N	426.487	2.350	50	40	IEGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	3201147	UGQSNUHYTJDXPY-YDZHTSKRSA-N	441.431	2.490	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C(\C)c3ccccc3O)nnn2-c2nonc2N)c1	9359633	DIUKSXGJUWFUPW-FSJBWODESA-N	448.443	2.158	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc(OC)c1OC	20208099	OWACACNLHIXZMS-WSDLNYQXSA-N	449.529	2.246	50	40	IEGB	
CCOc1ccccc1NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccccc1Cl	408664564	CIAPHOSXHSTCQC-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3	6166230	KACPVIRGCJSWHE-LLVKDONJSA-N	435.509	2.364	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNS(=O)(=O)c1ccc(Br)cc1	12794330	QJARWYZSBIXSNS-UHFFFAOYSA-N	437.113	2.173	50	40	IEGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C1/C(=O)N(CN2CCOCC2)c2ccccc21	100108838	HJVVDZWQBWBENG-NJNXFGOHSA-N	442.903	2.184	50	40	IEGB	
CCOc1ccccc1NC(=O)COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br	408688369	WCZLHXHKAPXZHU-OZJSDOOGSA-N	438.274	2.138	50	40	IEGB	
CCc1ccc(OCC(=O)NN[C@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2=O)cc1	3375090	HMKJNPNNMGPLQX-KRWDZBQOSA-N	431.876	2.243	50	40	IEGB	
O=C(CCCC(=O)N/N=C\c1cccc([N+](=O)[O-])c1)N/N=C\c1cccc([N+](=O)[O-])c1	31670066	SQNZMWWARSPCIZ-FDYZEBBJSA-N	426.389	2.274	50	40	IEGB	
CC1=CC[C@](C(=O)O)(C(=O)NNC=C2C(=O)OC(C)(C)OC2=O)[C@@H](c2ccc(F)cc2)C1	8782923	NAZDLDCIHXDVOG-OPAMFIHVSA-N	446.431	2.061	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(OC3CSC3)c2)S(C)(=O)=O)cc1	20210302	HYHJWYYBMVHTIX-SRZZPIQSSA-N	449.554	2.106	50	40	IEGB	
CC(C)C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br	8691663	TYMIIMVBEWBJTR-XPRWRABFSA-N	437.128	2.264	50	40	IEGB	
O=C(CCC(=O)NNC(=O)c1cc2cc(Cl)ccc2[nH]1)NCc1ccc2c(c1)OCO2	9849835	RXTNXJZZXSTVJS-UHFFFAOYSA-N	442.859	2.408	50	40	IEGB	
CC(C)N1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc21	102238842	LPDGZIXYGAXXDZ-ATJXCDBQSA-N	440.525	2.360	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(CC)cc2)c(OC)c1	409162891	JCUHZHZSXNVKGT-AFUMVMLFSA-N	440.500	2.251	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1	409169614	RCVIQBJXHQSRPA-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
COc1cc(C(=O)NNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccc1OCCC(C)C	39976169	DGKWSXFDTGIHPI-VFNWGFHPSA-N	435.546	2.335	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)c2ccccc2)nnc1-c1ccc(NC(C)=O)cc1	408639206	WKFAVSKDEKNTDS-UHFFFAOYSA-N	438.513	2.477	50	40	IEGB	
C[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	9510967	HRMYNBIBSMQDRD-OHQHBMRBSA-N	431.558	2.329	50	40	IEGB	
Cc1cccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1	408653091	HVZWWDWTQDFSQW-HNNXBMFYSA-N	429.860	2.006	50	40	IEGB	
O=C(CCNC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)OCCCl	2058130	BMBNTPPEJOVFSX-SFQUDFHCSA-N	444.871	2.475	50	40	IEGB	
Cc1nc2ccccn2c1C(=O)N/N=C\c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1	8437430	YNWHVTYIJQEYIQ-QFEZKATASA-N	444.451	2.255	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2cc(Cl)sc2Cl)cc1	14245553	OMKQXOCEMLXVNA-UHFFFAOYSA-N	436.342	2.445	50	40	IEGB	
COc1cccc(N(CC(=O)N/N=C/c2ccc(Br)cc2)S(C)(=O)=O)c1	408780384	BPDGUYMUMQJCTR-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(CNS(=O)(=O)c2ccccc2)o1	654850	PMRPBSDZFDYUNH-LPYMAVHISA-N	437.481	2.478	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)NCc1ccccc1	58873549	OZLUFLZRBIOORY-OGLMXYFKSA-N	444.491	2.148	50	40	IEGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	408777948	MTVVDMZLZCNSLJ-KGENOOAVSA-N	435.502	2.019	50	40	IEGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	408971551	IRKZSSUMLRCYFB-FYJGNVAPSA-N	434.449	2.285	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OCC)c1	409161166	YXTRTMIIPBEYQZ-AFUMVMLFSA-N	440.500	2.388	50	40	IEGB	
O=S1(=O)C[C@H](NC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)[C@@H](Cl)C1	575421628	KGIRQVHJZZTVEH-JQWIXIFHSA-N	445.975	2.272	50	40	IEGB	
O=C(N/N=C\c1cc(Br)cc(I)c1O)c1cnccn1	67194076	ZEUBYBCDDKEUMA-ZWSORDCHSA-N	447.030	2.313	50	40	IEGB	
CC(=O)c1cccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1	408664495	RAEMRMNHGHVHMN-UHFFFAOYSA-N	425.441	2.002	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1	408921954	MMUYXLQPWJEBKR-OMBDHMDGSA-N	433.486	2.119	50	40	IEGB	
COc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)cc(Cl)c1OCC(=O)O	38534816	JWNXEYMMNBTOTE-QPJQQBGISA-N	435.820	2.103	50	40	IEGB	
CCS(=O)(=O)N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)cc1	59490233	SPQGWTDSHDUIHP-XSFVSMFZSA-N	434.474	2.300	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cc(C)ccc2C)c(OC)c1	409169364	PSQHQCZYWNOFMB-DHRITJCHSA-N	438.484	2.082	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN(C)C)c(=O)c32)cc2c1OCO2	9461578	LEMPIMCGVHEVNF-IBGZPJMESA-N	438.484	2.064	50	40	IEGB	
CCOc1ccc(/C(C)=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	408773822	XMZQVIVSHBKAQL-PXLXIMEGSA-N	449.529	2.409	50	40	IEGB	
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)[C@H](C)Oc3ccc(F)cc3)CC2=O)cc1	15384818	AMJPHGPRVLWYLL-GJZGRUSLSA-N	429.448	2.192	50	40	IEGB	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)N(Cc1ccccc1)c1ccccc12	10186401	ALIUJIOGFVSUAI-XMMPIXPASA-N	427.416	2.051	50	40	IEGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1ccc([N+](=O)[O-])cc1	12278479	JILXSTNNTGXIAW-GXDHUFHOSA-N	446.466	2.240	50	40	IEGB	
C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccc(S(=O)(=O)NCc2ccco2)cc1	21189542	KGHURSDNGQZOBX-CJLVFECKSA-N	429.502	2.112	50	40	IEGB	
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccccc1[N+](=O)[O-]	8820242	SMFAJNCXHLMMAL-MDWZMJQESA-N	448.507	2.319	50	40	IEGB	
CC(C)CC(=O)NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	14239859	XQUOZVJDQAAOLK-ZDUSSCGKSA-N	446.367	2.043	50	40	IEGB	
Cc1nc(N2CCOCC2)sc1C(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1	16098504	MSXKRJXSGLVWBK-UHFFFAOYSA-N	438.575	2.209	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)c(OC)c1	20210850	SPBCQJAXDZYIRD-LPYMAVHISA-N	449.529	2.407	50	40	IEGB	
NNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1	17013222	UOFNQHCSYUXTKU-IBGZPJMESA-N	428.489	2.368	50	40	IEGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1OC	33617767	XTEFZDHCSCJHEY-YCCHBACSSA-N	441.484	2.142	50	40	IEGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1	59443787	BBOYVHUTRIFFBM-LPYMAVHISA-N	441.465	2.319	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	408907444	OCQMRYXOGHFSKB-QQHUYRGFSA-N	449.529	2.407	50	40	IEGB	
CCOC(=O)C1=c2s/c(=C/c3ccsc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccsc1	8448675	FGDSHTCKEBYXOR-LULHVWEPSA-N	441.559	2.024	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C(\C)COc3ccccc3)nnn2-c2nonc2N)c1	9233255	FZALEUZQKUXYBJ-YDZHTSKRSA-N	448.443	2.093	50	40	IEGB	
O=C(COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NNC(=O)c1cccs1	9492292	ZOYIYYFXTVYAKZ-UHFFFAOYSA-N	446.363	2.091	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	20211335	UHFXPSSIUPRGCC-HYARGMPZSA-N	447.513	2.185	50	40	IEGB	
COc1ccccc1N(CC(=O)NN=C1CCN(C)CC1)S(=O)(=O)c1ccccc1	20214340	MQBJSFDJALBDHY-UHFFFAOYSA-N	430.530	2.088	50	40	IEGB	
C#CCNS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)cc1	26072176	IHMXIBVNGILRPW-UHFFFAOYSA-N	431.539	2.003	50	40	IEGB	
O=C(N/N=C/c1ccccc1OCC(=O)N1CCCC1)C(=O)Nc1ccccc1Cl	409154332	NPDMDHVQVNOJSA-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3C)cc2)c1	2203007	YDUKNIBEXGVDSV-FOKLQQMPSA-N	432.444	2.192	50	40	IEGB	
COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)NNC(=O)c1cccs1	9592900	XXEQHUNWQQOSTK-UHFFFAOYSA-N	437.543	2.396	50	40	IEGB	
O=C(COC(=O)CCC(=O)c1ccccc1)NNC(=O)c1ccc(Br)cc1	20866037	CCSRBEJUCGASGQ-UHFFFAOYSA-N	433.258	2.416	50	40	IEGB	
Cc1c(Cl)cccc1N(CC(=O)N/N=C/c1cccc2c1OCCO2)S(C)(=O)=O	408869278	QJOKNJCSNMQGIN-SRZZPIQSSA-N	437.905	2.336	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	408924525	JPFKPDRVHFYNFE-GNUZOCDUSA-N	434.474	2.298	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1O	408527965	ALZNDMLQYFBTAG-ZJCNFCNTSA-N	434.330	2.026	50	40	IEGB	
CC(C)(C)n1ncc2c(O)nc(NNC(=O)NCc3ccc4c(c3)OC(F)(F)O4)nc21	1683531751	QBABMNNGLPRMBZ-UHFFFAOYSA-N	435.391	2.435	50	40	IEGB	
O=C(NNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc2c(s1)CCCC2	9767647	IVNDIYWSACHYAV-UHFFFAOYSA-N	430.486	2.447	50	40	IEGB	
CCOc1ccc(C(=O)NNC(=O)[C@@H](NC(=O)c2ccccc2F)C(C)C)cc1OC	13011760	GMKLSPLMNGTAFS-IBGZPJMESA-N	431.464	2.449	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cccnc2)S(=O)(=O)c2ccccc2)c1O	19952769	XPZYFOSBBRDJJA-YDZHTSKRSA-N	440.481	2.141	50	40	IEGB	
O=C(NNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)c1cccs1	9579651	YITJXZOIHZFABA-UHFFFAOYSA-N	431.495	2.007	50	40	IEGB	
CCOc1ccc(N2C[C@@H](C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)CC2=O)cc1	9730401	IXZPRTLAMGJZED-INIZCTEOSA-N	433.468	2.290	50	40	IEGB	
O=C(NNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1	14906068	WMKOJKIXDPPZGI-UHFFFAOYSA-N	439.896	2.341	50	40	IEGB	
O=C(NNC(=O)[C@H]1COc2ccccc2O1)c1cc(-c2ccc(Br)cc2)n[nH]1	21840466	GIMFQFXQZSMYPK-QGZVFWFLSA-N	443.257	2.440	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1Cl	39986742	IQBXWCRDAJHUAK-GRSHGNNSSA-N	440.865	2.028	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)cc(Br)c1OCC(=O)O	408797137	BJQXFVYQMTUAPC-NTUHNPAUSA-N	441.278	2.371	50	40	IEGB	
O=C(COC(=O)CCS(=O)(=O)c1ccc2ccccc2c1)NNC(=O)c1ccccc1	138961065	DMZNSGVWVSGGIO-UHFFFAOYSA-N	440.477	2.008	50	40	IEGB	
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1	25499176	OIMOXGMFPGMFCU-OAHLLOKOSA-N	425.441	2.117	50	40	IEGB	
COc1ccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1Cl	103517479	IHJJJQDEPJRDBI-GULXKOIASA-N	435.889	2.040	50	40	IEGB	
COc1cccc(N2C[C@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)c1	408649682	YZFBGKNTOAKWJX-CYBMUJFWSA-N	432.274	2.272	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1	409184108	FDALJVPDYHKXRO-HYARGMPZSA-N	431.514	2.485	50	40	IEGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3116354	PKVLXQTXUWYPRA-FSJBWODESA-N	436.380	2.287	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1O	4063915	GGOWPHGXFKZNLB-OEAKJJBVSA-N	440.481	2.141	50	40	IEGB	
Cc1ccccc1OCC(=O)NCC(=O)N/N=C/c1ccc(N(C)C)c(Br)c1	9264702	CYWKIGRLWCVRPF-FOKLQQMPSA-N	447.333	2.469	50	40	IEGB	
O=C(/C=C/c1ccco1)NCC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	9327352	WSBOJWUKNPDNPT-PYVBRDKTSA-N	428.448	2.476	50	40	IEGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC(C)C)cc2)cc1Cl	58881816	OFYQAHVHQFQQCX-FOKLQQMPSA-N	446.891	2.341	50	40	IEGB	
C[C@H]1Cc2cc(C(=O)NNC(=O)c3ccccc3-n3cccc3)ccc2N1S(C)(=O)=O	12555383	BNLZFYHMZXYOQF-HNNXBMFYSA-N	438.509	2.263	50	40	IEGB	
O=C(NC[C@H]1CCCO1)C(=O)N/N=C/c1cc(Br)ccc1NCc1ccco1	408708411	PWDDNOAQEYZLEQ-GENGVREBSA-N	449.305	2.400	50	40	IEGB	
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)N[C@@H]1CS(=O)(=O)C[C@@H]1Cl	575422741	OEENEISLQSYNOB-CMPLNLGQSA-N	429.907	2.107	50	40	IEGB	
Cc1nn(CCC#N)c(C)c1CCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	32755035	IJYJGRMYTKXABO-UHFFFAOYSA-N	449.515	2.098	50	40	IEGB	
Cc1cc(C)nc(NNC(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)n1	24743678	LZDQQQJJPHBRRA-UHFFFAOYSA-N	431.543	2.433	50	40	IEGB	
CCOC(=O)[C@](NC(=O)CCl)(Nc1sc2c(c1C(N)=O)CCCC2)C(F)(F)F	2198875	OZZNLAZTFWFZCD-HNNXBMFYSA-N	441.859	2.314	50	40	IEGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1	3431625	GHPJTKOQKWMPKD-LFIBNONCSA-N	425.416	2.382	50	40	IEGB	
Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	9584236	XZFRMTUJDIYMBF-ODLFYWEKSA-N	427.424	2.365	50	40	IEGB	
O=C(CN1CCN(Cc2ccccc2)CC1)NNC(=O)c1ccc(COc2ccccc2)o1	23140122	LDMFJTDXFMHXPZ-UHFFFAOYSA-N	448.523	2.437	50	40	IEGB	
O=C(N[C@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1	408991817	QZWXAMIOEJVSQO-CCYMUMOUSA-N	436.428	2.306	50	40	IEGB	
Cc1oc(/C=N/NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)cc1Br	409131666	JOTIEQGCQKIBHO-QGMBQPNBSA-N	432.271	2.406	50	40	IEGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(F)cc2)cc1	9450911	NYMMAHGHLHYHEY-AWEZNQCLSA-N	437.493	2.085	50	40	IEGB	
CCOC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2Br)c2ccccc21	101658092	IQISQSMBGXMPON-FXBPSFAMSA-N	430.258	2.493	50	40	IEGB	
NNC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(Cl)cc1	409061526	FBNCFMXKCLOGLS-UHFFFAOYSA-N	432.727	2.283	50	40	IEGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(CSc3nncn3C)cc2)c(C)c1	12729712	LYLWYSHZTPEXLN-UHFFFAOYSA-N	431.543	2.348	50	40	IEGB	
CC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1	408668038	URPADBZULRWXFP-UHFFFAOYSA-N	425.441	2.002	50	40	IEGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(OCC(=O)NC[C@H]4CCCO4)cc3)n2c1	408995390	CDXWNUCKKTXBKI-KSRKCLLLSA-N	449.511	2.389	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1	409164575	KKAGHSIOUSLINX-BHGWPJFGSA-N	432.839	2.249	50	40	IEGB	
C=CCNC(=S)NNC(=O)COc1ccc2c(C(=O)OCC)c3ccccn3c2c1	8855504	MFPZMZGCWQLGLK-UHFFFAOYSA-N	426.498	2.329	50	40	IEGB	
COCCNC(=O)CC(=O)N/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C	58913997	IJWWKTXRSKIZCO-UUYOSTAYSA-N	435.322	2.459	50	40	IEGB	
COc1cccc(N2C[C@@H](C(=O)NNC(=O)c3ccc(Br)cc3)CC2=O)c1	408649683	YZFBGKNTOAKWJX-ZDUSSCGKSA-N	432.274	2.272	50	40	IEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(-c2ccc(I)cc2)o1	408730945	WTYBNQBFSJPLSG-YBFXNURJSA-N	439.253	2.334	50	40	IEGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccc(I)c(O)c1	409091048	SLWMFQGGCIPTEM-FRKPEAEDSA-N	427.154	2.375	50	40	IEGB	
CCN(CC)c1ccc(/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1	9293599	UJQZZXDDELIDKS-IZILLXMLSA-N	427.526	2.312	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc(F)cc1	9309584	SCNCEBNKGHKTPP-ZMOGYAJESA-N	449.450	2.162	50	40	IEGB	
C#CCN1C(=O)/C(=N\NC(=O)c2ccccc2[N+](=O)[O-])c2cc(Br)ccc21	9846816	MTXMFLFKPBDDCB-SILNSSARSA-N	427.214	2.471	50	40	IEGB	
CC(C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)CCSc2ccc(F)cc2)cc1	12683521	WAUOQAJOWDYPCV-UHFFFAOYSA-N	439.534	2.456	50	40	IEGB	
COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)c3ccc(C)o3)c2)cc1	17396345	XCCZHBTYPZRYES-UHFFFAOYSA-N	429.454	2.472	50	40	IEGB	
CCc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)cc1	28808864	BDNSWHZXFPTRPO-HNNXBMFYSA-N	443.887	2.260	50	40	IEGB	
O=C(N/N=C/c1sc(=O)[nH]c1-[n+]1ccc(C(=O)c2ccccc2)cc1)c1ccncc1	13739211	DNBUJNIKIDDXGH-UHFFFAOYSA-O	430.469	2.103	50	40	IEGB	
C/C(=N\NC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20208225	XNVGHSIBTCOMHV-CJLVFECKSA-N	431.514	2.381	50	40	IEGB	
Cc1c(Cl)cccc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1	409250913	NJTXEDWFJLXPNM-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2cccnc2)C1=O	8819345	GESKNMQLJUCVFV-WJDWOHSUSA-N	442.522	2.143	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)NC[C@H]1CCCO1	408771954	JGXUQOXJBBPVOY-AOOMUMSASA-N	426.429	2.033	50	40	IEGB	
CCn1nc(C(=O)NNC(=O)Cc2ccc(Br)cc2)c2ccccc2c1=O	17189705	YLHKELHAPQNXKJ-UHFFFAOYSA-N	429.274	2.183	50	40	IEGB	
COc1ccc(CC(=O)NCC(=O)N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)cc1	33697970	TYJZDQZMAAIVAY-MXAYSNPKSA-N	435.436	2.462	50	40	IEGB	
COc1cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc(OC)c1OC	59523132	LUNVKYQMGCURLM-LPYMAVHISA-N	444.444	2.221	50	40	IEGB	
COc1ccc(S(=O)(=O)NNC(=O)C2CCN(C/C=C/c3ccccc3)CC2)cc1	12952294	BWHIREDSGRZTMX-VMPITWQZSA-N	429.542	2.430	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1)c1cccnc1	13512558	IWGNFUOKGYSZQI-WSDLNYQXSA-N	435.473	2.074	50	40	IEGB	
O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	19951217	REHDAAAJUHDUGT-YDZHTSKRSA-N	438.465	2.156	50	40	IEGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)CCN3CCN(c4ccccc4)CC3)cc2)n1	9128474	KGLIFCQOXNEHMM-UHFFFAOYSA-N	446.555	2.462	50	40	IEGB	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)CSc2nc3ccccc3s2)cc1	16153176	HMMPMHHIONQLJY-UHFFFAOYSA-N	436.540	2.357	50	40	IEGB	
COc1ccc(-n2c(SCC(=O)NNC(=O)C(C)C)nnc2-c2cccnc2)cc1	35313001	DXKUIZOHJAFCJC-UHFFFAOYSA-N	426.502	2.233	50	40	IEGB	
CC1(C)OC(=O)C2=C1NC(N)=C(C#N)[C@]21C(=O)N(CCc2ccccc2)c2ccccc21	80328530	DTUGNJPWIFIWLZ-VWLOTQADSA-N	426.476	2.400	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(I)c1OC	408753769	HYVSKGGSTMNEAY-VCHYOVAHSA-N	448.257	2.302	50	40	IEGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1	409388270	TVXOUHPAMCPPRO-ZVVFGRKBSA-N	449.463	2.053	50	40	IEGB	
COc1ccc(CC(=O)NCC(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1	9305400	TYJZDQZMAAIVAY-DHRITJCHSA-N	435.436	2.462	50	40	IEGB	
COc1cc(/C=C(\C#N)c2nn(CCO)c(N)c2C#N)cc(Br)c1OC(C)=O	13372265	PCYRDODCLMYRNA-LFYBBSHMSA-N	446.261	2.090	50	40	IEGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	33413815	PTJPWELXLPMEHL-PGFPPARGSA-N	430.258	2.158	50	40	IEGB	
O=C(NNC(=O)C1(c2ccc(Br)cc2)CCCCC1)[C@H]1CCS(=O)(=O)C1	84393220	FCASAOJBQRJCHF-ZDUSSCGKSA-N	443.363	2.233	50	40	IEGB	
CN(C)c1n[nH]c(CNC(=O)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1	1565289515	KVOUJSWDRVFRBL-UHFFFAOYSA-N	430.472	2.230	50	40	IEGB	
COc1cccc(-c2c(C(=O)N/N=C/c3cccc(Cl)c3)nnn2-c2nonc2N)c1	2451762	GGJCIUGRKIVESJ-LSHDLFTRSA-N	438.835	2.325	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\C=C\c3ccccc3)CC2)cc1	12465874	CULXIQPPWCUDLU-VPCDGCQQSA-N	426.542	2.117	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3n2)ccc1OCC(=O)N1CCOCC1	20926709	DACAHCXPYDUJTO-MFKUBSTISA-N	448.479	2.245	50	40	IEGB	
COCc1cc(C)nc(OCC(=O)N/N=C/c2cc(Br)c(O)cc2O)c1C#N	59427718	GAAVBOGWLLOWRW-QPSGOUHRSA-N	449.261	2.111	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC)ccc1OCC(=O)Nc1c(C)cc(C)cc1C	409174496	MVGUMTQJROIGHD-BRJLIKDPSA-N	440.500	2.224	50	40	IEGB	
COCCn1c(C)cc2c(c1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)C(C#N)=C(N)O2	2334547	TZCSTHGCGYZQTL-SFHVURJKSA-N	427.457	2.047	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(OC)cc3OC)c(C)c(C#N)c2=O)cc1	9094789	RGHBBRDYXMIWEZ-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1cccnc1	20233267	IGZZWDDRHDNLBH-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
O=C(CN1CCOCC1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	59151333	QVQJASAUXAIXHN-UDWIEESQSA-N	429.389	2.078	50	40	IEGB	
CCOC(=O)CC(=O)SC1=C(C#N)[C@H](c2ccc(OCC)cc2)[C@H](C(=O)OC)C(=O)N1	102812732	OPRHCFLVJMVBDC-ROUUACIJSA-N	446.481	2.036	50	40	IEGB	
COc1ccc2c3c1O[C@]1(C)[C@@H](OS(C)(=O)=O)[C@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505055	PLEJCHVAAIVYOT-HROFAYACSA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
COc1cc(/C=N/NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)ccc1O	408992923	VATMKGWHDMVIOK-CVHZQBDDSA-N	437.456	2.112	50	40	IEGB	
O=C(CCC(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1	408647598	VINBUYPESBCQFF-UHFFFAOYSA-N	437.374	2.429	50	40	IEGB	
O=C(N[C@@H](C(=O)N/N=C\c1cccc(O)c1)c1n[nH]c(=O)c2ccccc12)c1ccccc1	33344000	VCCMRIHYGAMKAX-LPGPRXSPSA-N	441.447	2.250	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])S(C)(=O)=O)cc1	408907267	NTEWPKSJRYXOKI-ZXOFLVKFSA-N	434.474	2.298	50	40	IEGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1	12901404	WSSYTWIECIQBFZ-UHFFFAOYSA-N	429.429	2.407	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cccs2)c1CSc1ccccc1	2409293	IGQRDGUSAWLIDF-DJKKODMXSA-N	426.487	2.350	50	40	IEGB	
C=CCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	58873028	UHGOAGPPQXKYBN-CFRMEGHHSA-N	428.876	2.500	50	40	IEGB	
CCOC(=O)[C@H](Br)c1nnc2c(Nc3ccc(OC)cc3)nc3nonc3n12	59390997	QGTGHZLGFZOCJZ-SNVBAGLBSA-N	448.237	2.412	50	40	IEGB	
NS(=O)(=O)Cc1cccc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1	69460793	AUWOCTNDTNHYKG-UHFFFAOYSA-N	433.486	2.418	50	40	IEGB	
Cc1ccccc1N1C(=O)NC(=O)[C@H](/C=N/NC(=O)c2ccc(Br)cc2)C1=O	408535307	NNKMHRJWHVMYQP-MNUWJXFPSA-N	443.257	2.372	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCC(N)=O	408961206	LGVXYJLGEMDAKA-LSHDLFTRSA-N	426.385	2.368	50	40	IEGB	
Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccc(B(O)O)cc2)n1	585294665	TWIOKTXVUQAUEX-QFIPXVFZSA-N	428.305	2.202	50	40	IEGB	
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	2249728	INOCEGZBRYNWOE-JXMROGBWSA-N	445.497	2.070	50	40	IEGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)c1	12894774	GGHAGSAANUJIFG-CQSZACIVSA-N	429.498	2.240	50	40	IEGB	
O=C(CSc1nnc(-c2cccnc2)o1)NNC(=O)c1ccc(Br)cc1	892398	SEEHBWQESAVLLL-UHFFFAOYSA-N	434.275	2.447	50	40	IEGB	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NNC(=O)c2ccncc2)C1=O	8819346	RBRMITBMUKQVHP-VBKFSLOCSA-N	442.522	2.143	50	40	IEGB	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)OC)NC(=O)[C@H]2C(=O)OC)cc1Cl	409318723	XQMQJUZECBEJKP-CVEARBPZSA-N	438.889	2.383	50	40	IEGB	
COc1cc(Br)c([C@H]2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc1OC	85408661	IXRBPIAZZKPESS-HNNXBMFYSA-N	435.230	2.130	50	40	IEGB	
COC(=O)[C@@]1(Cc2ccccc2)N[C@H](c2ccc(OC)c(Cl)c2)[C@H]2C(=O)OC(=O)[C@H]21	100913648	QAFAAGPUTSPMMD-AYMMHLMVSA-N	429.856	2.463	50	40	IEGB	
O=C(CCc1n[nH]c(=O)[nH]c1=O)N/N=C/c1c(OCc2ccccc2)ccc2ccccc12	948203	WKNPXWGHZYGOER-AFUMVMLFSA-N	443.463	2.273	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccc(C)cc1	9309698	DHUZNGQDTCBLRL-BUVRLJJBSA-N	445.487	2.331	50	40	IEGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1	13799870	APIPMANLXNWRGZ-YTBHAWNYSA-N	428.466	2.334	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NCc2ccccc2)cc1)NC1CCCCC1	59959764	BAHCIOPMAFFYTC-WGOQTCKBSA-N	436.512	2.281	50	40	IEGB	
CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c1	137860512	CLSHNNYAXAGWNR-QJWKYJBVSA-N	435.546	2.460	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	633376	SQWCGDRTQOPXPG-MNOULKQQSA-N	449.916	2.430	50	40	IEGB	
CCOC(=O)C1=c2s/c(=C\c3ccsc3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccsc1	2056383	FGDSHTCKEBYXOR-GSHXUFRSSA-N	441.559	2.024	50	40	IEGB	
COc1ccc2c3c1O[C@]1(C)[C@H](OS(C)(=O)=O)[C@@H](Cl)C=C4[C@@H](C2)N(C)CC[C@]431	253505067	PLEJCHVAAIVYOT-LZOZONPPSA-N	425.934	2.237	50	40	IEGB	biogenic,in-vitro
Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](C(=O)NNC(=O)Nc4ccccc4)C3)C2=O)cc1	9487838	GBMVNZFGMXCWIS-FXAWDEMLSA-N	449.511	2.192	50	40	IEGB	
C/C(=N\NC(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20209611	HJBHRCWUVAJQHP-FYJGNVAPSA-N	437.905	2.418	50	40	IEGB	
CCN(CC)c1ccc(C(=O)NNC(=O)COC(=O)c2ccc3c(c2)OCCCO3)cc1	21418392	DYASIKHZXSVLHL-UHFFFAOYSA-N	441.484	2.312	50	40	IEGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)OCC(=O)Nc1ccc(N2CCOCC2)cc1	6189390	JGUFFXJPNDYOLB-BOPFTXTBSA-N	435.436	2.341	50	40	IEGB	
O=C1NC[C@@H](c2ccccc2)[C@@H]1C(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	32528785	RPSGJWBTAJEAOB-DKUKCOLRSA-N	447.245	2.043	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1	59516062	SPRCHLIHHKTUOG-PCLIKHOPSA-N	425.485	2.468	50	40	IEGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccc(S(=O)(=O)N2CCCC2)c1	2620988	DMGJBUKSCLRCAW-HAVVHWLPSA-N	442.541	2.072	50	40	IEGB	
CCOC(=O)CCC(=O)NC(=S)NNC(=O)c1ccc(OCc2ccccc2)cc1	12137342	CAOOLMNYDAOIRM-UHFFFAOYSA-N	429.498	2.244	50	40	IEGB	
COc1ccccc1/C=N/NC(=O)CN(c1cc(Cl)ccc1OC)S(C)(=O)=O	408786032	FIGQRFOXVNACML-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c1	3200349	LSGXCUFGENFZQB-HAVVHWLPSA-N	444.557	2.318	50	40	IEGB	
CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437449	WQYAIAZIGVLFMK-ZWKOTPCHSA-N	431.537	2.125	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)CSc2nnc(-c3ccccc3OC)n2C)cc1	12496560	JDNLFAXWMHNLFN-UHFFFAOYSA-N	427.486	2.053	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C/c1cc(OC)ccc1OC)S(C)(=O)=O	408772605	PUEANHDPAJHQHR-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1	9805780	CNBHHAYYBPGGDX-UHFFFAOYSA-N	426.256	2.418	50	40	IEGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)cc1	20060456	WPFMKBKEFWVQAB-PXLXIMEGSA-N	432.546	2.458	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1OC	23109333	ZHOANJHOEJWIBK-UHFFFAOYSA-N	425.416	2.128	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@H]1[C@@H](OCC)CC(C#N)=C[C@]12C(=O)OCC	245239503	JSGWTFQNBMFHIF-MMHYWOHCSA-N	444.484	2.185	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccc(Br)cc1	408771230	GEGNOHKFGLTQSY-VCHYOVAHSA-N	426.292	2.071	50	40	IEGB	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2O)cc1OC	3049926	ORLHFDCGJJXVTE-ZVBGSRNCSA-N	436.262	2.052	50	40	IEGB	
CCCCCn1nc(C(=O)NNC(=O)CNC(=O)C2CCCCC2)c2ccccc2c1=O	17398149	DZDMJFJNUQHFBD-UHFFFAOYSA-N	441.532	2.044	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1	104598552	RIWMLZONDHRUIF-SQFISAMPSA-N	439.921	2.387	50	40	IEGB	
COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408641727	MIRILTSKCPKSJU-LBPRGKRZSA-N	432.820	2.071	50	40	IEGB	
Cc1cccc2sc(NNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc12	9381720	OTVXKWOZTZNHRE-UHFFFAOYSA-N	432.527	2.383	50	40	IEGB	
COC(=O)COc1c(Cl)cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)cc1OC	409181356	BPDIOAUAALESLI-LSFURLLWSA-N	434.832	2.322	50	40	IEGB	
O=C(N/N=C1/C(=O)N(CN2CCOCC2)c2ccc(Br)cc21)c1ccccc1	725625	MVTKOSAZMXSOKZ-RELWKKBWSA-N	443.301	2.220	50	40	IEGB	
COCc1cc(C)n(CC(=O)N/N=C/c2c(OC)ccc3ccc(OC)cc23)c(=O)c1C#N	8722650	NANOUZRPAULMIK-RPPGKUMJSA-N	448.479	2.496	50	40	IEGB	
O=C(CNC(=O)n1c(-c2ccccn2)nc2ccccc21)N/N=C1\C(=O)Nc2ccccc21	9327422	DRLONLKROXZURC-UHFFFAOYSA-N	439.435	2.129	50	40	IEGB	
O=C(CNC(=O)c1ccccc1O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	100502901	SWDQAGPWRGWESB-HPNDGRJYSA-N	428.448	2.189	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(OC)c1	2272076	KHYLPPYBULKWGB-IBGZPJMESA-N	428.441	2.448	50	40	IEGB	
O=C(COc1ccccc1F)NNC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12	3427911	VUEIAEHHBINXFS-UHFFFAOYSA-N	432.411	2.365	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1OC	20207535	ZFZKMJGVOZRTHV-HYARGMPZSA-N	431.514	2.485	50	40	IEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CSCCc2ccccc2)c1	24984170	OFMYHQRMACFGRN-UHFFFAOYSA-N	449.598	2.454	50	40	IEGB	
COc1cccc(N2C(=O)NC(=O)[C@@H](/C=N/NC(=O)c3cccc4ccccc34)C2=O)c1	408536879	SYALIAMAASYGQJ-NZYROCMPSA-N	430.420	2.463	50	40	IEGB	
CNC(=O)C(=O)N/N=C/c1cc(Cl)c(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	409175153	QSEWZNGGWWNJQE-YSURURNPSA-N	446.891	2.179	50	40	IEGB	
CC(C)n1nc(C(=O)NNC(=O)c2ccc(-c3ccco3)[nH]c2=O)c2ccccc2c1=O	72276815	GBNMVZKSYNNZFX-UHFFFAOYSA-N	433.424	2.001	50	40	IEGB	
COc1cc(/C=C/C(=O)NN)cc(I)c1OCc1cccnc1	226337654	JGLPDRNCBASMOP-SNAWJCMRSA-N	425.226	2.277	50	40	IEGB	
COc1ccc(C(=O)OCC(=O)NNC(=O)c2ccc(Br)cc2)c(OC)c1	3386487	DLMFJAYLYIIQGV-UHFFFAOYSA-N	437.246	2.084	50	40	IEGB	
CC(=O)N[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)C(=O)N[C@@H](C(=O)O)C(C)C	6077010	AVODXODZUNFBMI-ZWKOTPCHSA-N	446.375	2.243	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O)c1ccccc1O	408527961	ALZNDMLQYFBTAG-GUTLRLRMSA-N	434.330	2.026	50	40	IEGB	
O=C(NNC(=O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1cccc([N+](=O)[O-])c1	408615319	OUOQRGRJPSSPNZ-LBPRGKRZSA-N	447.245	2.171	50	40	IEGB	
COc1cc(OC)cc(-c2nnc(SCC(=O)NNC(=O)Cc3ccccc3)o2)c1	408638912	VCTZWMFPOBCRMH-UHFFFAOYSA-N	428.470	2.236	50	40	IEGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1	409001281	OTYCJTMEANSMHF-KTCKORJGSA-N	435.484	2.081	50	40	IEGB	
O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NNC(=O)c1ccc(Cl)cc1	9714912	LAJKVSGHBYBRHQ-UHFFFAOYSA-N	446.847	2.466	50	40	IEGB	
CCN1C(=O)/C(=N\NC(=O)[C@@H]2COc3ccccc3O2)c2cc(Br)ccc21	13583530	SHXSSTSOSGDSEJ-SEPJKUCUSA-N	430.258	2.476	50	40	IEGB	
BrC[C@@H]1CN=C(N2CCN(C3=NC[C@H](CBr)S3)CC2)S1	836483	JVWZZGTVTMDTJV-AOOOYVTPSA-N	442.246	2.337	50	40	IEGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c(OC)c1	951116	OFVNPSSFRGXKMC-LERPTODRSA-N	434.404	2.365	50	40	IEGB	
O=C(CNC(=O)c1ccccc1Br)N/N=C1/C(=O)Nc2ccc(Cl)cc21	1457912	JXHSFMWPSPJTGT-UHFFFAOYSA-N	435.665	2.305	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2F)c1CSc1ccccc1	2398610	CNWKGNXFTYQMHS-LSHDLFTRSA-N	438.448	2.428	50	40	IEGB	
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NNS(=O)(=O)c1ccc(Br)s1	12775619	HFRKBMKPPKEDEV-SECBINFHSA-N	430.305	2.159	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccccc3Cl)CC2)cc1	36006942	CZQYXLWSAMOAKG-HMAPJEAMSA-N	434.949	2.105	50	40	IEGB	
COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCC(=O)N1CCOCC1	409195877	RONAHFDJPCYZMG-GZTJUZNOSA-N	441.509	2.218	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)ccc1OCC(N)=O	16266259	BXGINFRVFRRHTJ-OAQYLSRUSA-N	431.452	2.272	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccc2c(c1)OCC(C)(C)CO2)S(=O)(=O)c1ccc(F)cc1	225370550	MPBYXQLJGKCUBZ-FOKLQQMPSA-N	449.504	2.394	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Br)cc2)cc1	409159258	VNHSRNFTSGMZIE-SSDVNMTOSA-N	447.289	2.053	50	40	IEGB	
O=C(COc1ccccc1/C=N/NC(=O)C(=O)NC1CC1)Nc1ccc(F)c(Cl)c1	409262768	JXUFRURUVLUVTI-AUEPDCJTSA-N	432.839	2.225	50	40	IEGB	
CC(C)C[C@H](C(=O)O)N1C(=O)[C@@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	8691661	TYMIIMVBEWBJTR-PFACCFIVSA-N	437.128	2.264	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c(OC)c1	16267357	YJECAGCSEVXZOM-WSDLNYQXSA-N	433.530	2.400	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)c(OC)c1	23109330	JQZNBMAKWKGEGP-UHFFFAOYSA-N	425.416	2.128	50	40	IEGB	
COC(=O)[C@@]1(Cc2ccccc2)N[C@@H](c2ccc(OC)c(Cl)c2)[C@@H]2C(=O)OC(=O)[C@H]21	100913651	QAFAAGPUTSPMMD-MSQSPTIYSA-N	429.856	2.463	50	40	IEGB	
CC1=CC(=O)c2ccccc2/C1=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1	101192072	JFVUGYWMCOZGBR-PXLXIMEGSA-N	446.452	2.238	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)cc1	408777618	DIVLXXDKGRJTMF-SRZZPIQSSA-N	437.905	2.351	50	40	IEGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCC(=O)N1CCOCC1	409011115	MEZAMZGKBSVERD-QRVIBDJDSA-N	431.876	2.350	50	40	IEGB	
O=C(COc1cccc(F)c1)NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1	9377637	QBUIQBQQTLMSDP-UHFFFAOYSA-N	449.504	2.230	50	40	IEGB	
CCNC(=O)/C(C#N)=C/c1c(N2CCN(c3ccccc3)CC2)nc2c(C)cccn2c1=O	2205288	RWNSWHWGBCMHEI-KNTRCKAVSA-N	442.523	2.373	50	40	IEGB	
Cc1ccc(N2C(=O)[C@H](/C=N/NC(=O)COc3cccc(Cl)c3)C(=O)NC2=S)cc1	408763839	PDONQBORXNIHHF-YJCKXXIQSA-N	444.900	2.193	50	40	IEGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCCC2)cc1)C(=O)Nc1ccccc1Cl	409153563	IHXDPVXDNOMVGP-YDZHTSKRSA-N	428.876	2.430	50	40	IEGB	
CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1	3314375	KZWWARQDKRFBIC-UHFFFAOYSA-N	430.486	2.165	50	40	IEGB	
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NNC(=O)c1ccco1	9883313	ZGBOSHAZIQBRIF-HNNXBMFYSA-N	445.476	2.410	50	40	IEGB	
C=CCOc1ccccc1C(=O)NNC(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1	12137281	SODKGWABISQAGZ-UHFFFAOYSA-N	445.497	2.227	50	40	IEGB	
COc1ccccc1N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)S(C)(=O)=O	2177347	MSESHGTVOSFQNM-LPYMAVHISA-N	427.482	2.470	50	40	IEGB	
COc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1OCC(=O)N1CCOCC1	409019359	ISUADCQWDCXVQU-QRVIBDJDSA-N	431.876	2.350	50	40	IEGB	
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN	4994721	FDNZGMRODBEPDH-QZTJIDSGSA-N	431.537	2.125	50	40	IEGB	
C[C@@H]1Cc2cc(C(=O)NNC(=O)c3ccccc3-n3cccc3)ccc2N1S(C)(=O)=O	12555382	BNLZFYHMZXYOQF-OAHLLOKOSA-N	438.509	2.263	50	40	IEGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCC(=O)N1CCOCC1	13942818	OFIRTGRJTVEHKU-QGOAFFKASA-N	427.501	2.289	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2S(=O)(=O)N(C)c2ccccc23)cc(OC)c1O	57510520	RRCOJWUMVAGFIC-KRWDZBQOSA-N	441.465	2.365	50	40	IEGB	
CN1C(=O)C[C@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)[C@@H]1c1cccnc1	72284110	GZGUXWZYJWVDNQ-RDPSFJRHSA-N	444.491	2.494	50	40	IEGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1	408760145	SHPQRHWRVATXEU-BOURKTIISA-N	431.514	2.374	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(OC)c2)c1	409269119	FKBWNFHGAPWDPG-LJGKHRNASA-N	426.473	2.078	50	40	IEGB	
COc1cc2cc(C)c3nnc(SCC(=O)NNC(=O)c4ccco4)n3c2cc1OC	877364	ZYNDCFBRSKVEPN-UHFFFAOYSA-N	441.469	2.354	50	40	IEGB	
CCOC(=O)[C@@](NC(=O)CCl)(Nc1sc2c(c1C(N)=O)CCCC2)C(F)(F)F	2198876	OZZNLAZTFWFZCD-OAHLLOKOSA-N	441.859	2.314	50	40	IEGB	
CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N/N=C2\C[C@@H]3CC[C@@]2(C)C3(C)C)c1	21868941	CLSHNNYAXAGWNR-WXTPHLERSA-N	435.546	2.460	50	40	IEGB	
CC[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2C1	40058096	DVWQVPJWLMFXQC-LBPRGKRZSA-N	442.584	2.290	50	40	IEGB	
O=C(NNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccc2c(c1)OCO2	40140306	KSADNJMOWZQNOZ-UHFFFAOYSA-N	426.379	2.443	50	40	IEGB	
C[C@H](C(=O)N/N=C1\C(=O)N(C)c2ccccc21)n1cnc2sc3c(c2c1=O)CCCC3	1783787	BSQVNRATBYEAQP-ALJNWUEXSA-N	435.509	2.395	50	40	IEGB	
CCOc1cc(/C=C/C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)ccc1OC(F)F	23711708	XPNOASYAEJDSKK-ONNFQVAWSA-N	444.398	2.137	50	40	IEGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2cccc(Cl)c2)c1	33645129	ZIXZVTKXPSXUFH-JAIQZWGSSA-N	425.894	2.128	50	40	IEGB	
O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)NNC(=O)c1ccccc1	9963282	MIRBKGIUBGBFMD-ZHACJKMWSA-N	435.358	2.362	50	40	IEGB	
O=C(N/N=C\c1ccc(OCC(=O)N2CCOCC2)c(Br)c1)c1ccco1	34720756	KEXINEFOVYOICJ-JAIQZWGSSA-N	436.262	2.044	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN2CCOCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	59246362	FIYAINNPRYJLOQ-OEAKJJBVSA-N	442.472	2.355	50	40	IEGB	
CCCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	20210861	DWQOACKFEQVLJH-HYARGMPZSA-N	449.529	2.409	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C\c3ccc(Cl)cc3)CC2)cc1	30742586	DNRUIDPDYBGSAA-HMAPJEAMSA-N	434.949	2.105	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3sccc3C)nnn2-c2nonc2N)c1	9344375	UVFOJHQNWZTSCW-UFFVCSGVSA-N	438.473	2.432	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccccc1O)c1ccccc1Br	16248247	GSHMTJYOVRZYFU-VCHYOVAHSA-N	426.292	2.071	50	40	IEGB	
O=C(NNC(=O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1)c1ccc([N+](=O)[O-])cc1	408615313	OSOGJVSCFUQTPT-GFCCVEGCSA-N	447.245	2.171	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	19953530	LGBQVBYSWVXHGR-HADWXUJASA-N	435.502	2.017	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c(OC)c1	20493182	IBLBCZOCBVFDGN-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(Br)cc3)C2=O)cc1	408530294	DWLDGUIUOSGRQE-LKKXKRCMSA-N	443.257	2.372	50	40	IEGB	
Cc1ccc(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1	408652847	DCVCBQYVSVHEAY-INIZCTEOSA-N	443.887	2.314	50	40	IEGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N(C)C)c1	2402983	RIWNNFOFCTYQPA-SFQUDFHCSA-N	435.509	2.443	50	40	IEGB	
CCc1ccc2c(CC(=O)NNC(=O)CN(C)S(=O)(=O)c3ccc(C)cc3)coc2c1	9885443	VBNRXDGZJCCKLO-UHFFFAOYSA-N	443.525	2.314	50	40	IEGB	
O=C(NNC(=O)c1cc2cc(F)ccc2[nH]1)c1ccc(S(=O)(=O)N2CCCC2)cc1	12869713	IKRJHGXFCWTQPZ-UHFFFAOYSA-N	430.461	2.166	50	40	IEGB	
CN(CC(=O)N/N=C/c1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1	16187033	BCSPMOWQOABZOY-VXLYETTFSA-N	428.283	2.359	50	40	IEGB	
CC(=O)O[Si-]12(OC(C)=O)Oc3ccccc3C=[N+]1NC(SCc1ccccc1)=[S+]2	263609701	VINVGYHYKAHYLB-UHFFFAOYSA-N	447.590	2.145	50	40	IEGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC3CC3)cc2Cl)cc1	409272940	ULHBWMYTZVTTPR-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3c(C)nnn3-c3nonc3N)cc2)cc1	2542004	RAUCXHXRHMIIPY-FOKLQQMPSA-N	432.444	2.192	50	40	IEGB	
CCn1nc(C(=O)NNC(=O)c2cnn(-c3cccc(C)c3)c2C)c2ccccc2c1=O	13011376	CTDOLDZFZFQLJO-UHFFFAOYSA-N	430.468	2.294	50	40	IEGB	
COc1ccccc1C(=O)NNC(=O)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	17632772	MJGGGUAWHUCJPW-UHFFFAOYSA-N	428.452	2.472	50	40	IEGB	
O=c1n(-c2ccccc2)c(=O)n2n1[C@@H]1C=C[C@@H]2[C@@H]2[C@@H]1[C@H](Br)[C@@H]2Br	104279298	IUNOPIYFNMVCFM-UQPQVDFHSA-N	439.107	2.239	50	40	IEGB	
COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(OC)c(Cl)c2)cc1	33727661	RODNYQKDAPYIBT-JAIQZWGSSA-N	425.894	2.128	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c1	408765393	VRUJCOOOLGUIPK-CCULFSDZSA-N	433.530	2.465	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)CN(c2ccccc2OCC)S(C)(=O)=O)ccc1O	408771391	GDPUZKBQLLCIGO-FYJGNVAPSA-N	435.502	2.106	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NCC(C)C)ccc1OCC(=O)Nc1ccc(C)cc1	409168568	MSKGBLYVEHRAMR-DHRITJCHSA-N	440.500	2.243	50	40	IEGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)NNC(=O)COc2cc(C)ccc2C)cc1	12770611	LQVZJWKHBUTVRQ-UHFFFAOYSA-N	433.530	2.174	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	408791177	VTUDTYDDGIBQEK-XSFVSMFZSA-N	434.474	2.300	50	40	IEGB	
CCOc1cccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1O	16693269	HTULFEVHONPYOJ-WSDLNYQXSA-N	433.530	2.487	50	40	IEGB	
O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)N[C@H]1CS(=O)(=O)C[C@H]1Cl	575422749	OEENEISLQSYNOB-PWSUYJOCSA-N	429.907	2.107	50	40	IEGB	
CCOc1ccc2nc(SCC(=O)NNC(=O)CSc3nnc(C)s3)[nH]c2c1	80338694	MYNCPNLOXMHVOM-UHFFFAOYSA-N	438.560	2.153	50	40	IEGB	
CC(=O)c1cccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c1	408663139	LMDKMCFYAPWNHH-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1)=C\c1ccco1	9356728	RDHOOUSCXLNVOO-XVQJQKMBSA-N	449.387	2.220	50	40	IEGB	
CCOc1ccccc1/C=N/NC(=O)c1nnn(-c2nonc2N)c1-c1cccc(OC)c1	9497946	ZIDIKJBORRYRQG-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
COc1cccc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)c1OCc1ccc(F)cc1	408609970	MGNSPURRWJQCQB-LLXCYVELSA-N	429.448	2.159	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc(Br)cc2)s1)N/N=C/c1ccncc1	408731343	LWCBLOOPXUIHLT-KEBDBYFISA-N	445.302	2.641	50	40	IEGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCC(=O)N1CCOCC1	409015252	ZCUINUWCUXGUED-IWIPYMOSSA-N	425.485	2.395	50	40	IEGB	
Cc1ccc(SCC(=O)NNC(=O)CNC(=O)c2ccc(Br)cc2)cc1	9507961	OILAAPVNZGXSDU-UHFFFAOYSA-N	436.331	2.427	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)c1cccc2ccccc12	16157611	IDNKNHCDWKAENZ-WSDLNYQXSA-N	425.466	2.485	50	40	IEGB	
COc1cccc(/C=N\NC(=O)C2CCN(C(=S)N[C@H]3C[C@H]4C=C[C@H]3C4)CC2)c1O	104214076	ZZVDYFFXHSMKLH-BBOKCBJNSA-N	428.558	2.402	50	40	IEGB	
COc1ccc(C(=O)N/N=C/[C@H]2C(=O)NC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1	408529886	DIKZPFWYENTXHT-CJEGQJQSSA-N	448.357	2.329	50	40	IEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCCN1CCOCC1	13116861	DXWIFCSCKBCJMQ-HXUWFJFHSA-N	425.489	2.046	50	40	IEGB	
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=S)NCCc1ccccc1	18946688	RECPZLXDRMZKAA-UHFFFAOYSA-N	432.855	2.259	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@H]1[C@@H](OCC)CC(C#N)=C[C@@]12C(=O)OCC	245239501	JSGWTFQNBMFHIF-GRIJOXEGSA-N	444.484	2.185	50	40	IEGB	
Cc1ccccc1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408672421	ZBANCIKMEUIZDX-OAHLLOKOSA-N	429.860	2.006	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccccc1Cl	408732804	ZIBDKRFHPYTRJJ-KEBDBYFISA-N	444.860	3.045	50	40	IEGB	
Cc1ccc(N2C(=O)[C@@H](/C=N/NC(=O)COc3cccc(Cl)c3)C(=O)NC2=S)cc1	408763837	PDONQBORXNIHHF-CPHRPENTSA-N	444.900	2.193	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	1881533	YTCYKHUVIAVMBA-AWQFTUOYSA-N	435.234	2.246	50	40	IEGB	
Cc1cccc(-n2nnnc2SCC(=O)NNC(=O)c2ccc(Br)cc2)c1	2616414	AAVSMCWQRFDFNS-UHFFFAOYSA-N	447.318	2.287	50	40	IEGB	
COc1ccccc1C(=O)NNC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S	12278474	ASTCTBWGYVTRBV-NTEUORMPSA-N	433.536	2.419	50	40	IEGB	
C[C@@H]1CN(c2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)NCc2ccco2)C[C@@H](C)O1	13648520	VWSVMCSEYRAWBQ-ZXYGXNQISA-N	433.468	2.124	50	40	IEGB	
CC(=N/NC(N)=O)/C(=N\Nc1ccc(C)cc1[N+](=O)[O-])C(=O)Nc1ccccc1[N+](=O)[O-]	25573401	OHXRILQHJXXBLF-VAPOOFGYSA-N	442.392	2.262	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1	409166809	GRBTYYXCLLDZSF-WYMPLXKRSA-N	428.876	2.418	50	40	IEGB	
O=S1(=O)C[C@H](Cl)[C@H](NC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1	575421627	KGIRQVHJZZTVEH-CMPLNLGQSA-N	445.975	2.272	50	40	IEGB	
COc1cc(/C=N/NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)ccc1OC(=O)c1ccco1	1869153	DSMKJWXVLISOPU-UFFVCSGVSA-N	441.400	2.379	50	40	IEGB	
O=C(C[C@@H]1C(=O)NN=C2c3ccccc3N=CN21)N/N=C/c1ccc(Br)cc1	9576699	ILZCOQGTQNWYFF-YJCKXXIQSA-N	439.273	2.125	50	40	IEGB	
CN(CC(=O)N/N=C\c1ccccc1C(=O)O)S(=O)(=O)c1ccc2ccccc2c1	16187466	FAJKUIKEEFZPMB-XKZIYDEJSA-N	425.466	2.309	50	40	IEGB	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccccc2)cc1	20231783	UFFDDLPWJLDKGJ-UHFFFAOYSA-N	430.530	2.088	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OCC)cc2)cc1	409151151	GUPPGSJFILGKHV-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NNC(=O)c1cccn1C	9984903	WEVYCRSHGVAXJT-HNNXBMFYSA-N	447.344	2.096	50	40	IEGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	59472761	PRHRCFJVQQVWSB-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
COc1ccccc1/C(C)=C/C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	65541540	CXKBSMMDVDGMKK-FOCLMDBBSA-N	443.525	2.344	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCC1)c1ccc(I)cc1	409028514	OKPHWEDFMAEVLA-UHFFFAOYSA-N	435.287	2.103	50	40	IEGB	
Cc1cc(C)n2c(SCC(=O)NNC(=O)c3ccccc3Br)nnc2n1	9284508	CRSWZLKOAWUFKX-UHFFFAOYSA-N	435.307	2.057	50	40	IEGB	
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2ccc(O)cc2O)c1C#N	16249262	AAWKQRCTVMUTSB-QPSGOUHRSA-N	449.261	2.111	50	40	IEGB	
COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3ccccc3C)c(=O)c(C#N)c2C)cc1	409053988	LCTJXZWFXNCNQA-MXAYSNPKSA-N	429.436	2.272	50	40	IEGB	
CCOC(=O)C1=c2s/c(=C\c3ccsc3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccsc1	2056381	FGDSHTCKEBYXOR-XIEDVDOYSA-N	441.559	2.024	50	40	IEGB	
COc1ccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)cc1	2276093	VZIXMCJWDNFHCO-NFFVHWSESA-N	442.475	2.492	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1OC	20207745	VUEMVTVWPACBPS-HYARGMPZSA-N	431.514	2.485	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	59503027	FULIHASJVWZWEJ-ZXOFLVKFSA-N	434.474	2.298	50	40	IEGB	
COc1ccc(C(=O)NCC(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cc1	100338855	VZIXMCJWDNFHCO-WEMUOSSPSA-N	442.475	2.492	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)cc2)S(C)(=O)=O)cc1Cl	408783824	RKNMVKSEIRCZOY-CIAFOILYSA-N	438.937	2.331	50	40	IEGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(OC)cc2)c1	409254509	IRUKHHBCEXBFGM-LJGKHRNASA-N	426.473	2.078	50	40	IEGB	
COCCn1c(C)cc2c(c1=O)[C@H](c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2	2346390	ZXHAHOMCGLGKQB-QGZVFWFLSA-N	427.457	2.047	50	40	IEGB	
CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CSc1ccccc1F	15465565	AEDWLVIDMPHAGA-ZDUSSCGKSA-N	425.507	2.210	50	40	IEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(CC)c32)ccc1OCCN1CCOCC1	20000425	CRORSJFKSIBGJC-HXUWFJFHSA-N	439.516	2.300	50	40	IEGB	
COc1cccc(/C=N/NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)OCc2ccccc2)c1O	408991363	QHIXLTZRWZDHAS-VFADJPBRSA-N	437.456	2.112	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)ccc1OCC(N)=O	8781364	FSZIPTZGEDDIKH-BRJLIKDPSA-N	435.484	2.185	50	40	IEGB	
CCc1ccc(C(=O)NNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cc1	12545456	NEJDYBDRJMJCKU-UHFFFAOYSA-N	444.557	2.174	50	40	IEGB	
COc1ccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)cc1OC	408754007	CXUXWMXCEIGDKT-BOURKTIISA-N	433.530	2.465	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2C)c(OC)c1	409171352	ZPBPXTMEBRKXBG-DHRITJCHSA-N	440.500	2.306	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2CC)c(OCC)c1	409173248	HXCAYOZPKHDZBQ-AFUMVMLFSA-N	440.500	2.251	50	40	IEGB	
N#CC1=C(SCC(=O)N2CCOCC2)NC(=O)C[C@H]1c1cccc(Br)c1	409301383	FEWVUNWIOSJGLH-AWEZNQCLSA-N	436.331	2.380	50	40	IEGB	
Cc1cc(C(F)(F)F)nn1CCC(=O)NNC(=O)CCn1nc(C(F)(F)F)cc1C	2747949	ZKIKFEBZKYUQIU-UHFFFAOYSA-N	440.348	2.362	50	40	IEGB	
COC[C@H](C)n1c(SCC(=O)NNC(=O)c2ccccc2)nc2ccccc2c1=O	3396352	OMLFKCJAXMJSPC-AWEZNQCLSA-N	426.498	2.157	50	40	IEGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3	15707664	PRXUPAFMDCWJHA-UHFFFAOYSA-N	426.860	2.145	50	40	IEGB	
CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NNC(=O)Cc1c[nH]c2ccccc12	24367836	MXDMHVNMTOQAKF-FQEVSTJZSA-N	446.504	2.000	50	40	IEGB	
O=C(NN/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O)c1ccncc1	38163129	VFHICBHVCYHPMA-LCYFTJDESA-N	430.218	2.086	50	40	IEGB	
COC(=O)Cc1n[nH]c2c1[C@@]1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2	6507142	KCRVMUUDPMVTGY-DEOSSOPVSA-N	441.447	2.044	50	40	IEGB	
COc1ccccc1-n1c(SC#CC(=O)NNC=O)nnc1-c1ccc(Cl)cc1	13564530	UIVOXMBNQLBPGA-UHFFFAOYSA-N	427.873	2.427	50	40	IEGB	
CCCCN1C(=O)c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccccc3F)cc2C1=O	14245975	RERWYCPXKLSGKC-ZDUSSCGKSA-N	427.432	2.450	50	40	IEGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1	34688348	PKCQNGVSTWQNJS-HMAPJEAMSA-N	427.461	2.128	50	40	IEGB	
O=C(CNC(=O)c1ccccc1O)N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21	100520370	CMOLKZYKADSAGP-WEMUOSSPSA-N	442.475	2.232	50	40	IEGB	
CCOC(=O)/C(C#N)=C/c1c(N2CCC[C@H](C(=O)OCC)C2)nc2c(C)cccn2c1=O	9345905	QXUATKMFVUBQML-WLSWZUKCSA-N	438.484	2.253	50	40	IEGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CS[C@@H](C)C(=O)Nc3cc(C)on3)ccc21	15347865	RPGGRATWRPCQCP-LBPRGKRZSA-N	444.517	2.182	50	40	IEGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\NC(=O)Nc1ccccc1I	16693812	GVJQSUJEOPVWOU-FLIBITNWSA-N	436.209	2.135	50	40	IEGB	
CCC(=O)c1ccc(OCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1	17355929	NHNKIGJXRXMCHW-UHFFFAOYSA-N	438.528	2.018	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSc1nnc(-c2ccncc2)n1C	32945200	MGVJPEQFQFJAEN-UHFFFAOYSA-N	432.893	2.092	50	40	IEGB	
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)C)cc1	59443742	MQYFJRSYJMZTHF-UHFFFAOYSA-N	430.530	2.390	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C\c1cc(Br)ccc1O)C1CCCCC1	107795062	HWDUURHAHVQAEF-ZDLGFXPLSA-N	432.340	2.199	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1	409266696	QUZLFWOBDJCEDH-LUILSVGHSA-N	426.473	2.078	50	40	IEGB	
CN(CC(=O)N/N=C/c1ccccc1C(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl	16187147	CQQAIBKDUYCXED-AWQFTUOYSA-N	444.296	2.462	50	40	IEGB	
Cn1cc(Br)cc1C(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1	16269975	BAXVXISCBSBVRZ-UHFFFAOYSA-N	441.713	2.412	50	40	IEGB	
C[C@H](Sc1nnc(-c2ccc(OC(F)F)cc2)n1N)C(=O)NNC(=O)c1ccccc1	20057524	GPCACAKDQRQADE-NSHDSACASA-N	448.455	2.202	50	40	IEGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1ccccn1	20233275	KPBRPUJJGONIDE-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1	104872298	OEPUIFOHFVRUMW-MNDPQUGUSA-N	430.464	2.495	50	40	IEGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1OCC(N)=O	107649840	NPJIWUXMIWDZQV-ZVBGSRNCSA-N	428.426	2.446	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1[N+](=O)[O-]	8452189	KBDGELMSOFSMOG-RGVLZGJSSA-N	434.474	2.137	50	40	IEGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1ccc2c(c1)OCO2)c1ccccc1	9308413	XDYMKIPCYPROSD-OEAKJJBVSA-N	446.427	2.172	50	40	IEGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)cc1	58880798	XNAUZSQGLULNQP-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc21)c1cc(Cl)cc(Cl)c1	408777103	VLVHJKVCWXSEKM-UHFFFAOYSA-N	441.296	2.232	50	40	IEGB	
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=O)c1cc2ccccc2oc1=O	12931846	PRKSRYQTIJOVGT-UHFFFAOYSA-N	441.749	2.088	50	40	IEGB	
Cc1cccc2c(=O)n(CC(=O)NNC(=O)[C@H](C)Oc3ccc4ccccc4c3)cnc12	18053411	PDSWTEZNXSKIRZ-INIZCTEOSA-N	430.464	2.473	50	40	IEGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(I)c(O)c1	36186163	UHGQQBNIFMBFAH-FRKPEAEDSA-N	427.154	2.375	50	40	IEGB	
COc1cccc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccc(Cl)cc3)s2)c1O	408732486	VQGFXEQHOZNZJJ-UFFVCSGVSA-N	445.888	2.851	50	40	IEGB	
Cc1cc2cc3c(cc2n2c(SCC(=O)NNC(=O)c4ccco4)nnc12)OCCO3	877446	MMOJEISGBQWHFY-UHFFFAOYSA-N	439.453	2.108	50	40	IEGB	
CCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(OC)c1	409160333	UGYUTILABPXQGL-WYMPLXKRSA-N	446.891	2.342	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccccc1C(F)(F)F	409161076	WAEMROJVGSKNAZ-RPPGKUMJSA-N	448.401	2.475	50	40	IEGB	
Cc1cccc(C)c1NC(=O)/C(Cc1nc2ccc([N+](=O)[O-])cc2nc1O)=N\NC(N)=O	17216748	SJFCPSVOSGTHBQ-XYGWBWBKSA-N	437.416	2.066	50	40	IEGB	
COCCCNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	58873063	DELGVGNERQWRND-MYYYXRDXSA-N	440.500	2.005	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(F)cc1	408606747	ARKOOLHYHCACOF-LLXCYVELSA-N	429.448	2.159	50	40	IEGB	
COc1cc(OC)cc(C(=O)NNC(=O)CSc2nnc(Cc3ccccc3)o2)c1	408638833	TVEXYBAYPWXAEG-UHFFFAOYSA-N	428.470	2.231	50	40	IEGB	
CCc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)C(=O)NC(C)C)cc2OC)cc1	409153319	LCVGTRRHNHYHBK-ZMOGYAJESA-N	440.500	2.250	50	40	IEGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	9833656	NDYIIGBWHHJWMB-UHFFFAOYSA-N	429.389	2.300	50	40	IEGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(SC)cc2)S(C)(=O)=O)c1	20211218	LOZXSAVJHPWZSA-UDWIEESQSA-N	437.543	2.342	50	40	IEGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@@H](c3cc([N+](=O)[O-])ccc3O)c3sc(=O)[nH]c3S[C@H]12	100872007	QXNADULDDZGURB-HCWRQXKJSA-N	446.462	2.238	50	40	IEGB	
O=C(NC(=S)NNC(=O)c1ccccc1I)c1cccs1	2316424	CKCIAGNQVGGEBW-UHFFFAOYSA-N	431.280	2.302	50	40	IEGB	
CS(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NNC(=O)c1cc2c(s1)CCCCC2	58433268	DDLMIVOIXWKRQC-QGZVFWFLSA-N	447.582	2.165	50	40	IEGB	
COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(OC)c1	408970495	AJEOLIFQIYOEBI-OEAKJJBVSA-N	449.504	2.394	50	40	IEGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	408869236	RMUQCMUTARQLOH-XYHOIZSOSA-N	435.889	2.372	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1cccc(OC)c1	409271726	WHBHEIJXDROMLR-LUILSVGHSA-N	426.473	2.078	50	40	IEGB	
O=C(NNS(=O)(=O)c1ccc(Br)cc1Cl)[C@H]1COc2ccccc2O1	16148779	AYGNIDAGJFFHMK-CYBMUJFWSA-N	447.694	2.252	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1	19954966	QKGXEKYJEKTMSA-PXLXIMEGSA-N	449.529	2.409	50	40	IEGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(CC)c32)ccc1OCCN1CCOCC1	20000429	CRORSJFKSIBGJC-FQEVSTJZSA-N	439.516	2.300	50	40	IEGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=S)NC[C@H]3CCCO3)c2)cc1	15898845	CYKQEHYXHLATEI-QGZVFWFLSA-N	448.570	2.084	50	40	IEGB	
COc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C/c2cccc(Cl)c2)cc1OC	16187039	ZGYJJGHTQAGZRP-RGVLZGJSSA-N	425.894	2.128	50	40	IEGB	
Cc1nnn(-c2nonc2N)c1C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	2542001	HGWGVXARDZBPSO-AUEPDCJTSA-N	436.407	2.023	50	40	IEGB	
C[C@H](c1ccccc1)N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408659572	SVCFXYDXTUBFKQ-RHSMWYFYSA-N	443.887	2.254	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CCCCC2)cc1)NC1CCCCC1	408834248	LFZUTWZITLARKY-BUVRLJJBSA-N	428.533	2.413	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc21)c1cccc(Cl)c1Cl	408915321	ZNYDQTFEMTVVBV-UHFFFAOYSA-N	441.296	2.232	50	40	IEGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)cc1	2202312	PRAAHAXNESPUTR-XDJHFCHBSA-N	449.536	2.093	50	40	IEGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c1C	12973637	UZLAEBGUSZNAPK-SJORKVTESA-N	425.485	2.422	50	40	IEGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)c1ccc(Cn2nnc(-c3ccccc3)n2)cc1	17632884	BNSIETOSWCUWQY-UHFFFAOYSA-N	442.435	2.192	50	40	IEGB	
CS(=O)(=O)N(CC(=O)NN=C1C(=O)Nc2ccccc21)c1ccc(Cl)c(Cl)c1	408907737	QHYFQXVPVFUTHY-UHFFFAOYSA-N	441.296	2.232	50	40	IEGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)NNC(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)O)cc1	409379342	WIJBCZCBFGIMOX-IDPBPBMLSA-N	433.464	2.152	50	40	IEGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)ccc1OCC(N)=O	1755514	LRNUKSRUEQCHBB-ZVBGSRNCSA-N	430.511	2.411	50	40	IEGB	
N#CCCN(NC1=NS(=O)(=O)c2ccccc21)C(=O)c1ccccc1Br	8781041	LYGXDNLHZUYNOV-UHFFFAOYSA-N	433.287	2.459	50	40	IEGB	
COC(=O)c1ccc(/C=N\NC(=O)CN2CCN(Cc3ccccc3Cl)CC2)cc1	32576960	IWDAIGRWMHXKFU-OYKKKHCWSA-N	428.920	2.395	50	40	IEGB	
O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1ccccc1O	32904300	VPVFKMYIFXZMTH-UHFFFAOYSA-N	429.429	2.407	50	40	IEGB	
CCOc1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)cc1	138673527	ACXLBAHGTUAOLF-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
CCn1c(Cc2ccccc2)nnc1SCC(=O)NNC(=O)COc1ccccc1	408639508	YAPMUECJJQTQLA-UHFFFAOYSA-N	425.514	2.207	50	40	IEGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1	25537660	FFHYJLFWGCUFFR-UHFFFAOYSA-N	425.507	2.066	50	40	IEGB	
CN(C)c1ccc(C(=O)NNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	9721019	LLWKAXQVIIMTIX-UHFFFAOYSA-N	438.406	2.188	50	40	IEGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	20214412	JYGUQTACLVLBJE-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
COc1cc(OC)cc(C(=O)NN[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1	2656272	MMFHUEXIEVFAPE-MRXNPFEDSA-N	448.273	2.033	50	40	IEGB	
Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)ccc12	12629132	VCUMRWLSNZOHEL-DNTJNYDQSA-N	442.340	2.153	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc(OC)c1OC	20208692	NWZRDGYIHXATFR-WSDLNYQXSA-N	449.529	2.246	50	40	IEGB	
O=C(NNC(=O)c1ccccc1F)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1	2661078	PJPLKMIEBSDRND-UHFFFAOYSA-N	425.869	2.338	50	40	IEGB	
CC1CCN(c2ccc(C(=O)NNC(=O)[C@H]3COc4ccccc4O3)cc2[N+](=O)[O-])CC1	9220721	NCUSYJAWVKQFOH-HXUWFJFHSA-N	440.456	2.432	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)Cc2nnc(NC(=O)Nc3ccccc3)s2)cc1O	408732526	WIKATDKVJRDDRD-CIAFOILYSA-N	440.485	2.979	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409165587	ZWTYEECWKLMQCS-AFUMVMLFSA-N	440.500	2.388	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1OC	20493181	YHXJHAJIXQHASL-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2cc(Cl)ccc2O)c1-c1cccs1	1772671	SPOJTCYHGFPAOZ-FBCYGCLPSA-N	430.837	2.084	50	40	IEGB	
CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](C)NC(C)=O	4773958	MRUQREKKEWZUFF-KDOFPFPSSA-N	446.375	2.086	50	40	IEGB	
COc1ccccc1C(=O)NNC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S	12278477	OFQHXBZFEKVGGB-RVDMUPIBSA-N	431.495	2.341	50	40	IEGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	14165630	SYVOGCMYBIGEQJ-OEAKJJBVSA-N	427.526	2.308	50	40	IEGB	
CCOc1ccc(C(=O)NNC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC	21966586	USWVXBRAIRMEKP-UHFFFAOYSA-N	429.517	2.188	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OC(C)=O)cc2)S(C)(=O)=O)cc1	408907808	SIBGUFTYZMKZJN-WXUSHSQQSA-N	447.513	2.315	50	40	IEGB	
Cc1nc(-c2cc(C)n(CC(=O)NNC(=O)c3n[nH]c(=O)c4ccccc34)c2C)cs1	29231860	RKCJEZRXYUSWKA-UHFFFAOYSA-N	436.497	2.235	50	40	IEGB	
NC(=O)COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	59960222	MSDCUKPASTVXCI-KTZMUZOWSA-N	442.781	2.312	50	40	IEGB	
O=C(CC(CC(=O)OCCl)(CC(=O)OCCl)CC(=O)OCCl)OCCl	102133678	XLQQFWZFZNBHLM-UHFFFAOYSA-N	442.075	2.491	50	40	IEGB	
COc1ccc(SCC(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	12986553	DJKJHBABKZNQAL-UHFFFAOYSA-N	449.554	2.033	50	40	IEGB	
COc1cc(OC)cc(C(=O)NNC(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)c1	14233646	OGYDPKIYVXMPBP-AWEZNQCLSA-N	429.498	2.240	50	40	IEGB	
C=CCOc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(C)cc2)cc1OC	39986606	XCNXJTHFPWAOKD-HMAPJEAMSA-N	431.514	2.339	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)c2ccc(OC(C)C)cc2)cc1C	12741475	LVMYMXOOYQXOKF-UHFFFAOYSA-N	433.530	2.172	50	40	IEGB	
Cc1cc(C(=O)NNC(=S)Nc2cnn(Cc3ccccc3)c2)c2c(C)nn(C)c2n1	17098967	WIIPODFALJUFTH-UHFFFAOYSA-N	434.529	2.461	50	40	IEGB	
CCOc1c(Br)cc(Br)cc1/C=N/NC(=O)CN1CCOCC1	19890640	HSWAJOLBEZPRFU-GIJQJNRQSA-N	449.143	2.393	50	40	IEGB	
COCCCNC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	408869729	QROCFGMRRJSWKW-WSDLNYQXSA-N	435.322	2.459	50	40	IEGB	
O=C(COc1ccccc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1	3343485	NZNPSVBQOIDMJO-UHFFFAOYSA-N	449.504	2.230	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1)NC[C@H]1CCCO1	28215493	XDTZIKNLDRLMJW-AOOMUMSASA-N	426.429	2.033	50	40	IEGB	
COc1cc(Br)c(S(=O)(=O)NC(=O)/C(C#N)=C\c2ccco2)cc1OC	72270789	SIZOUNBIHPWQFN-POHAHGRESA-N	441.259	2.471	50	40	IEGB	
COc1nc(C(=O)NN(C)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc2ccccc12	95939658	OOCWVDSVDPDIEE-UHFFFAOYSA-N	443.504	2.493	50	40	IEGB	
Cc1cccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1	408655196	LKEFKOYWEUGXAK-CQSZACIVSA-N	429.860	2.006	50	40	IEGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1	408720657	BJYCVNHHFNLDFP-BRJLIKDPSA-N	432.444	2.167	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(Cl)c2)c(OC)c1	409164598	KVSRINBAZVPQPF-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
CN(CC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccc(Cl)cc1	17157711	QEUUNSMFBZPSDJ-UHFFFAOYSA-N	439.965	2.324	50	40	IEGB	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2cc(OC)ccc2OC)S(C)(=O)=O)cc1	19953540	ZKPRRODTRKWVBZ-HADWXUJASA-N	435.502	2.017	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1	103092455	PIEUZSIZEHZAOI-CYVLTUHYSA-N	439.493	2.310	50	40	IEGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCC(N)=O)c(Br)c2)cc1OC	409319650	JRPNXXLZRQRLSW-NKVSQWTQSA-N	436.262	2.094	50	40	IEGB	
Cc1nnc(SCC(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)n1Cc1ccccc1	2621312	XFQHRDOWXPSFIJ-UHFFFAOYSA-N	426.458	2.096	50	40	IEGB	
COc1ccc(/C=N/NC(=O)COc2c(OC)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(OC)c1	3115995	YXAVTVOMBQZCFX-DJKKODMXSA-N	434.361	2.058	50	40	IEGB	
CN(CC(=O)NNC(=O)c1ccc2ccccc2c1O)S(=O)(=O)c1ccc(Cl)cc1	12793657	FFXGTRSJEKYROL-UHFFFAOYSA-N	447.900	2.281	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/c2ccccc2Cl)c1CNc1ccccc1	9016074	OYADDIAABVZWQH-AUEPDCJTSA-N	437.851	2.262	50	40	IEGB	
CCCc1c(C(=O)N/N=C(\C)c2cccc(Br)c2)nnn1-c1nonc1N	9308249	VAQMWEIIYQLBHN-DJKKODMXSA-N	433.270	2.102	50	40	IEGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12	12971288	DWTYQFZZMWMGLR-IFXJQAMLSA-N	425.938	2.409	50	40	IEGB	
O=C(COc1ccccc1)NNC(=O)CSc1ncnc2c1cnn2-c1ccccc1	12493931	LTZFVSXRBPQNQY-UHFFFAOYSA-N	434.481	2.134	50	40	IEGB	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F	39996902	XGSANFVAVHYYGV-CYBMUJFWSA-N	438.550	2.381	50	40	IEGB	
CONS(=O)(=O)c1ccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1	40106508	HMWGQMKFBLCVIS-UHFFFAOYSA-N	446.510	2.033	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(O)c(OC)c2)S(C)(=O)=O)cc1	408908928	YZCFFDLEZAMFDI-CNRHGSOZSA-N	435.502	2.104	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1	409165204	USKZSVDAHPTMBY-BHGWPJFGSA-N	432.839	2.249	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)c(C)c2)c(OC)c1	409170987	XZXUWBNCABIYQF-DHRITJCHSA-N	438.484	2.082	50	40	IEGB	
Nc1nonc1-n1nnc(C(=O)N/N=C/C=C/c2ccccc2)c1-c1ccc([N+](=O)[O-])cc1	1772939	YELGOOVQRIJUJA-XJLPLWBLSA-N	445.399	2.237	50	40	IEGB	
COc1ccc(OCCCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1	12522638	AHHOBWZCUNQJCR-UHFFFAOYSA-N	440.544	2.214	50	40	IEGB	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N/N=C(\C)CCc2ccccc2)cc1	15229415	YRRSVEKQESZYCR-XQNSMLJCSA-N	430.530	2.390	50	40	IEGB	
COc1ccc(N2C(=O)/C(=C(\C)NNC(=O)c3ccccc3Cl)C(=O)N=C2O)cc1	17043292	GXRMCPYCLIHYHF-LFIBNONCSA-N	428.832	2.344	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(C)n(C[C@H]4CCCO4)c(=O)c32)cc2c1OCO2	1852708	UAAQQDPYTZXMIW-KUHUBIRLSA-N	437.452	2.291	50	40	IEGB	
O=C(CCN1CCN(c2ccccc2)CC1)NNC(=O)c1ccc(Br)cc1	3355550	VDDOQHFRINJQLF-UHFFFAOYSA-N	431.334	2.422	50	40	IEGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN(C)C)c(=O)c32)cc2c1OCO2	9461576	LEMPIMCGVHEVNF-LJQANCHMSA-N	438.484	2.064	50	40	IEGB	
CCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCN(C)CC2)c2ccccc2)cc1	16691917	QBMPVEBGOPFKII-UHFFFAOYSA-N	444.557	2.478	50	40	IEGB	
Cn1c(=O)n(C)c2cc(/C=N/NC(=O)c3cccc(I)c3)ccc21	26464599	HNNJMYQRRCBPLH-VXLYETTFSA-N	434.237	2.246	50	40	IEGB	
COc1cccc(C(=O)NCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1	1504509	JSKBMASNOFYNMC-NFFVHWSESA-N	442.475	2.492	50	40	IEGB	
COc1ccc(C(=O)Nc2nnc(CC(=O)N/N=C/c3cccc(OC)c3O)s2)cc1	1953704	OCVGXJGRUPRQML-SRZZPIQSSA-N	441.469	2.206	50	40	IEGB	
Cn1c(C(=O)NNC(=O)COCC(=O)Nc2ccc(C#N)cc2)cc2cc(Cl)ccc21	9850724	YENURSOAOQELNX-UHFFFAOYSA-N	439.859	2.120	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Br)c2)S(C)(=O)=O)cc1	20060372	KUFADWCYCJZFHN-YBFXNURJSA-N	440.319	2.374	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C	30805989	PQWGJOFYKBZDHV-SFHVURJKSA-N	447.557	2.156	50	40	IEGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1cccc(I)c1	32119123	PRTRIXINBUBDBT-UHFFFAOYSA-N	431.280	2.302	50	40	IEGB	
O=C(CCl)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F	101311673	ATRHMOACZYPPBV-HKLAFJFVSA-N	441.731	2.428	50	40	IEGB	
CC1=C(C#N)C(=O)N([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1C(F)(F)F	102675968	CKXUAVRANRAYPB-ZMTLZGASSA-N	439.415	2.397	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccccc1OCC(=O)Nc1ccc(OC)cc1	409159193	ZKSVUMNYFFJPQM-ZVHZXABRSA-N	426.473	2.079	50	40	IEGB	
O=C(NNC(=S)Nc1ccc(Br)cc1F)[C@H]1CC(c2cccnc2)=NO1	8873498	HNSIPJTXMNWZQP-CQSZACIVSA-N	438.282	2.494	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(=O)N1CCOCC1	1438024	LEWNJLRUKPTVNT-IBGZPJMESA-N	425.441	2.341	50	40	IEGB	
N#C/C(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)C(=O)NCCN1CCCCC1	1474130	XKNDZOBBILADOM-SAPNQHFASA-N	428.514	2.103	50	40	IEGB	
Cc1ccc(NCC(=O)NNC(=O)c2ccc(Sc3ncn[nH]3)c([N+](=O)[O-])c2)cc1	2635914	RCCBALWFXXCZCN-UHFFFAOYSA-N	427.446	2.046	50	40	IEGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)cc2C1	24305882	XHORJSZZAWYOAC-RCDICMHDSA-N	446.573	2.381	50	40	IEGB	
C/C(=N\NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1)c1ccc2c(c1)OCCCO2	58635123	FTWWNIRLSJMTDW-CJLVFECKSA-N	431.514	2.317	50	40	IEGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1C(=O)OCC	71195289	IZUYUNHMLXIPLP-INIZCTEOSA-N	432.864	2.459	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC(C)C)ccc1OCC(=O)Nc1ccccc1C	409165346	WWHPIXFLJHAAOO-ZMOGYAJESA-N	440.500	2.386	50	40	IEGB	
N#C/C(=C\N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1)C(=O)NCc1ccco1	9421852	DFGGMBBGPIZMJF-ZCEAZGDESA-N	442.522	2.078	50	40	IEGB	
O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1sccc1S(=O)(=O)N1CCCCC1	10414996	SENKHWAWJVYSSH-UHFFFAOYSA-N	446.554	2.408	50	40	IEGB	
Cc1ccc(Cl)cc1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NC2CC2)c1	409252007	RFUVVQJITNZSAG-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
CCOc1ccc(-c2c(C(=O)N/N=C(\C)c3cccc(O)c3)nnn2-c2nonc2N)cc1	9359840	ZMFUMWQNILZPJH-FSJBWODESA-N	448.443	2.158	50	40	IEGB	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	16493673	KGJCZXMXQACPNW-GIJQJNRQSA-N	430.222	2.161	50	40	IEGB	
COc1cc(/C=N\NC(=O)c2nn(-c3ccccc3)c(=O)c(C#N)c2C)cc(OC)c1OC	409061476	XTABZEJHVIBHHM-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
CCCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C)o3)nnn2-c2nonc2N)cc1	2356541	OOVIXEPXKHCZEE-SSDVNMTOSA-N	436.432	2.354	50	40	IEGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1	9553588	OEZTYRRMHDYGJR-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
CCCNS(=O)(=O)c1cccc(C(=O)NNC(=O)CSc2ccccc2F)c1	9885533	LXEYSDBZBLOSFE-UHFFFAOYSA-N	425.507	2.067	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc(Cl)cc2)s1)N/N=C/c1ccc([N+](=O)[O-])cc1	408730142	FSPFDCPHRHFVDV-KEBDBYFISA-N	444.860	3.045	50	40	IEGB	
COc1ccc(OC)c(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)c1	408784706	RYRXPCLQKLOKOR-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)ccc1OCC(N)=O	8748657	XXPFHKCOPBXNKY-SFHVURJKSA-N	435.461	2.352	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)Cn2nc(C)cc2C)ccc1OCC(=O)N1CCCCC1	8946015	ADTBRUVSRLQUDD-ZVHZXABRSA-N	441.532	2.440	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1	15902096	RHIWIEZXJNIVCJ-UHFFFAOYSA-N	433.574	2.369	50	40	IEGB	
Cc1ccc(C)c(N2C[C@@H](C(=O)OCC(=O)NNC(=O)c3ccc(Cl)cc3)CC2=O)c1	408656673	NZBFGXXUTCUSJF-INIZCTEOSA-N	443.887	2.314	50	40	IEGB	
Cc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(Br)o2)c(C)c1	2136068	XEYHZWAJWQCZME-UHFFFAOYSA-N	426.292	2.373	50	40	IEGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)o1	2630750	CVDKTQNIMRRIBZ-SAPNQHFASA-N	427.482	2.177	50	40	IEGB	
CCOC(=O)CC(=O)SC1=C(C#N)[C@@H](c2ccc(OCC)cc2)[C@H](C(=O)OC)C(=O)N1	102812733	OPRHCFLVJMVBDC-MSOLQXFVSA-N	446.481	2.036	50	40	IEGB	
COc1cc(OC)c(/C=N\NC(=O)c2nc3nc(C)cc(C)n3n2)cc1Br	33301216	SUISIOAGKYIRRQ-UWVJOHFNSA-N	433.266	2.285	50	40	IEGB	
O=C(Cc1nnc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1cccc(O)c1	408731982	RKGPHHXREOEUJV-VXLYETTFSA-N	441.429	2.489	50	40	IEGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3ccccc3OC)c(=O)c(C#N)c2C)cc1OC	409060682	SSXIIDADGJUYCJ-MXAYSNPKSA-N	447.451	2.202	50	40	IEGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3nnn(-c4nonc4N)c3C)c2)cc1	2203521	KNJNXGULHPINSP-FOKLQQMPSA-N	432.444	2.192	50	40	IEGB	
C#CCN1C(=O)/C(=N/NC(=O)c2ccc(I)cc2)c2ccccc21	8816660	SILXYUWXXVWAPC-CAPFRKAQSA-N	429.217	2.405	50	40	IEGB	
O=C(NNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(Br)cc1	12910326	PEWIJCMCTHXJSA-UHFFFAOYSA-N	427.276	2.234	50	40	IEGB	
CCOc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccccc2C(=O)O)S(C)(=O)=O)cc1	16691586	LVMMWNFGOORJKO-HADWXUJASA-N	433.486	2.088	50	40	IEGB	
C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C)c([N+](=O)[O-])c1	35263384	DSRUZQXAXJIVRE-QNGOZBTKSA-N	446.485	2.078	50	40	IEGB	
CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	83261019	IYPFSVRWCAHYFK-MXAYSNPKSA-N	428.464	2.456	50	40	IEGB	
Cc1ccc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c(C)c1	408653877	GBFBLTFDUYYOAW-OAHLLOKOSA-N	443.887	2.314	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2C)c(OC)c1	409157544	VVHWCXQMJKJVNN-BHGWPJFGSA-N	446.891	2.261	50	40	IEGB	
N#CCCN(NC(=O)c1ccccc1Br)C1=NS(=O)(=O)c2ccccc21	8856659	QJXBORSCOKXFIP-UHFFFAOYSA-N	433.287	2.459	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)c2cccs2)cc1S(=O)(=O)N1CCCC[C@H]1C	12948514	YBUUGFOADGOPRB-CYBMUJFWSA-N	437.543	2.395	50	40	IEGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)CSc1nnc2c(n1)[nH]c1ccccc12	12484010	FJCOCXDIQQLBTH-UHFFFAOYSA-N	442.888	2.478	50	40	IEGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12	12971289	DWTYQFZZMWMGLR-AUUYWEPGSA-N	425.938	2.409	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1OC	16186867	JYIHEIJLASDFPA-HYARGMPZSA-N	447.513	2.039	50	40	IEGB	
C/C(=N\NC(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O)c1ccc2c(c1)OCCO2	20208408	KVGXCNBMSCNYDF-CJLVFECKSA-N	431.514	2.381	50	40	IEGB	
CN(C)c1ccc(C(=O)NNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1	9805878	DLRBBNMUAZMXRG-UHFFFAOYSA-N	439.299	2.476	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2cc(Br)c(C)o2)S(C)(=O)=O)cc1	20210307	RKGRIBGAXSCTBM-GIJQJNRQSA-N	444.307	2.275	50	40	IEGB	
O=C1NC[C@H](c2ccccc2)[C@H]1C(=O)N/N=C\c1cc(Br)cc([N+](=O)[O-])c1O	32528781	RPSGJWBTAJEAOB-JUYBRBHVSA-N	447.245	2.043	50	40	IEGB	
COc1cc(CCNC(=O)C(=O)N/N=C/c2c(F)cccc2Cl)cc(OC)c1OC	59483172	ATOWYMJVRKXRBR-BHGWPJFGSA-N	437.855	2.314	50	40	IEGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCC(=O)N/N=C/c1ccc(O)cc1O	23170873	LYRQKKFGVDRYGG-ATYVMVDZSA-N	426.256	2.438	50	40	IEGB	
O=C1OC(=O)[C@H]2[C@H]1[C@H]1C[C@H]2[C@@H]2[C@H](c3cc([N+](=O)[O-])ccc3O)c3sc(=O)[nH]c3S[C@H]12	100872004	QXNADULDDZGURB-QFWOYFARSA-N	446.462	2.238	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c(OC)c1	408774754	XGYWRDCLNGDWHT-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1ccc(/C(C)=N/NC(=O)CN(c2cc(C)ccc2OC)S(C)(=O)=O)cc1OC	408776541	PDDACDDQSARYII-PXLXIMEGSA-N	449.529	2.327	50	40	IEGB	
COc1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1OC	408830812	SXIVGVUCDKHWBW-HYARGMPZSA-N	428.445	2.141	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1	3334247	MZIKBVBLSVBXBJ-UHFFFAOYSA-N	439.921	2.095	50	40	IEGB	
CCN(CC)C(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1	58873998	WOKXIMZDRFMUHS-OEAKJJBVSA-N	426.473	2.031	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1ccccc1C(F)(F)F	409269096	FBQHANLNUZLSJS-OPEKNORGSA-N	448.401	2.452	50	40	IEGB	
Cn1c(C(=O)NNC(=O)CCC(=O)N2CCN(c3ccccc3)CC2)cc2ccccc21	9763843	NGVACGOTXGXPIQ-UHFFFAOYSA-N	433.512	2.068	50	40	IEGB	
O=C(COc1cccc(F)c1)NNC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1	9956743	ANKXTIXNDGVNPQ-UHFFFAOYSA-N	433.395	2.466	50	40	IEGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1	409012785	KPQTZKHSPFHYDG-CVKSISIWSA-N	448.479	2.002	50	40	IEGB	
O=S1(=O)C[C@@H](Cl)[C@@H](NC(=S)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)C1	575421629	KGIRQVHJZZTVEH-PWSUYJOCSA-N	445.975	2.272	50	40	IEGB	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)S(C)(=O)=O)cc1	408777708	GOSKFDOUGRFSLK-XSFVSMFZSA-N	434.474	2.300	50	40	IEGB	
C=CCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	409155283	QQVCXTCFOCONJG-RPPGKUMJSA-N	448.401	2.475	50	40	IEGB	
COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1	17101246	FSHQQEYRSQGEOJ-UYRXBGFRSA-N	437.412	2.069	50	40	IEGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F	101311668	ATRHMOACZYPPBV-CVQDRVJJSA-N	441.731	2.428	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(C)(=O)=O)c(OC)c1	408772109	BCDMUVDNXCKXSW-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
O=C(CSc1ccccc1F)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	9665516	WOIDWSJGEWLEQG-UHFFFAOYSA-N	437.518	2.164	50	40	IEGB	
CC(=O)Oc1cccc(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c1	408753589	JPTGFGQDRQUIRC-BOURKTIISA-N	431.514	2.374	50	40	IEGB	
CCc1ccc(-n2nc(C(=O)N/N=C\c3ccc(O)c(OC)c3)c(C)c(C#N)c2=O)cc1	409074559	VJAJUVCVEBIHBW-MXAYSNPKSA-N	431.452	2.453	50	40	IEGB	
COCC1=C(C(=O)OC)[C@]2(C(=O)N(Cc3ccccc3)c3ccccc32)C(C#N)=C(N)O1	8747953	AUNLZHAQHHNVCB-XMMPIXPASA-N	431.448	2.269	50	40	IEGB	
C[C@H](CC(=O)NNC(=O)c1cccnc1)CC(=O)N1CCN(c2cccc(Cl)c2)CC1	9850617	MJSWSAUJMQXHGH-MRXNPFEDSA-N	443.935	2.261	50	40	IEGB	
CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)COc1ccccc1Cl	15877982	ASMYDPKRKDGNFO-CYBMUJFWSA-N	425.894	2.011	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1	20493183	OTHFINXCEYNLIG-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2O)cc1	223156576	CKQOLMUXMAYYQR-JMIUGGIZSA-N	434.246	2.420	50	40	IEGB	
O=C(N/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1)c1ccccc1-n1cccc1	409011723	HINQHJQGHXNWHY-KOEQRZSOSA-N	432.480	2.479	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccc(Cl)cc1	409257604	RBXMKDKUVSQACA-FOKLQQMPSA-N	444.875	2.095	50	40	IEGB	
O=C(CSc1ccc(F)cc1)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1	9284254	QRYYWXLRUTWIDE-UHFFFAOYSA-N	437.518	2.164	50	40	IEGB	
CCCn1nc(C(=O)NNC(=O)c2cncn2-c2ccc(F)cc2)c2ccccc2c1=O	9883029	MVYXOEZWETZWES-UHFFFAOYSA-N	434.431	2.206	50	40	IEGB	
O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1nn(-c2ccccc2)c2c1CCC2	22617756	WETSIELKJNRORD-UHFFFAOYSA-N	435.509	2.399	50	40	IEGB	
O=C(O)[C@H]1[C@H]2C[C@@H]3[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1[C@H]1c4sc(=O)[nH]c4S[C@H]2[C@@H]13	100944569	KSKYMHXYFVXPIQ-ZQYLVJKJSA-N	446.462	2.453	50	40	IEGB	
COc1ccc(OCc2nnc(SCC(=O)NNC(=O)Cc3ccccc3)o2)cc1	408637665	MOMUQSILCKRYTK-UHFFFAOYSA-N	428.470	2.139	50	40	IEGB	
CC(=O)c1ccc(NC(=O)COC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	408663787	NVNQKTLFPNFOOU-UHFFFAOYSA-N	445.859	2.266	50	40	IEGB	
CCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2cccc(C)c2)c(OC)c1	409152881	BYETWURQMDTROU-AFUMVMLFSA-N	440.500	2.388	50	40	IEGB	
COc1cc(C(=O)NNS(=O)(=O)c2ccc(CCC(=O)O)cc2)ccc1OC(C)C	13079096	MPCIWEGHVMJMJT-UHFFFAOYSA-N	436.486	2.123	50	40	IEGB	
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N/N=C\c2ccc(Cl)cc2)c1	34889903	OVGYSURJPFDRNT-JAIQZWGSSA-N	425.894	2.128	50	40	IEGB	
COc1ccc(Cl)cc1N(CC(=O)N/N=C/c1ccccc1[N+](=O)[O-])S(C)(=O)=O	408778120	BJVICACLYYDFGK-VXLYETTFSA-N	440.865	2.173	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)cc1	408779332	CVXNOAZZMQQXSO-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(N3CCOCC3)nc3ccccn3c2=O)cc1	2202001	HSVWQFCQFUTCDJ-BMRADRMJSA-N	445.479	2.475	50	40	IEGB	
Cc1ncc(CO)c(/C=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1O	3287451	TYZSDXRBJBPRQX-UFFVCSGVSA-N	446.510	2.214	50	40	IEGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12	12971286	DWTYQFZZMWMGLR-LIRRHRJNSA-N	425.938	2.409	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1)Nc1cccc(C(F)(F)F)c1	409262355	IADLZDVXMBEVDO-OPEKNORGSA-N	448.401	2.452	50	40	IEGB	
O=C(CCC(=O)NNC(=O)COc1ccc(Br)cc1)NCc1ccccc1	2134762	YKHZFYDNZBRCDO-UHFFFAOYSA-N	434.290	2.072	50	40	IEGB	
O=C(CN(Cc1ccco1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2	9845937	HWILDKFJOQXXDJ-WSDLNYQXSA-N	441.465	2.350	50	40	IEGB	
COc1ccc(C(=O)NNC(=O)[C@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)cc1	14201080	YVXVBASRFASOND-QGZVFWFLSA-N	439.921	2.113	50	40	IEGB	
CC(/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)=C\c1ccco1	35457607	NFMPLGONRDOPNE-SDPONSEZSA-N	430.530	2.100	50	40	IEGB	
Cn1c(CC(=O)NNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc21	9915549	OXKSSQPJPREQOY-UHFFFAOYSA-N	441.491	2.360	50	40	IEGB	
CCOc1ccccc1N(CC(=O)N/N=C(\C)c1cccc(NC(C)=O)c1)S(C)(=O)=O	20210535	JTRQVUQMBFTFBE-HZHRSRAPSA-N	446.529	2.350	50	40	IEGB	
COc1ccc(CC(=O)NNC(=O)c2cccn(Cc3ccc(F)cc3)c2=O)cc1OC	23109363	YNYPLYSMVGPDRF-UHFFFAOYSA-N	439.443	2.057	50	40	IEGB	
COC(=O)c1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cc1	39986725	IXWRLERJDUNJNK-UCQKPKSFSA-N	439.493	2.397	50	40	IEGB	
COC(=O)c1ccc(/C=N\NC(=O)c2nn(-c3cccc(C)c3)c(=O)c(C#N)c2C)cc1	409060920	AHAFLFIXGYJCKN-MXAYSNPKSA-N	429.436	2.272	50	40	IEGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCC(=O)NCc3ccco3)=C2C#N)cc1	409335763	XQDQPIZRRWLVQL-INIZCTEOSA-N	425.466	2.454	50	40	IEGB	
O=C(COc1ccc(I)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	9948969	QLKAUMINPQQFCE-CAOOACKPSA-N	441.181	2.434	50	40	IEGB	
CC1(CC(=O)N/N=C/c2ccc(OCC(=O)NCCc3ccccc3)cc2)OCCO1	28214495	SPRVAXKFCVIITB-PCLIKHOPSA-N	425.485	2.028	50	40	IEGB	
Cc1cccc(C)c1N1C[C@H](C(=O)OCC(=O)NNC(=O)c2ccc(Cl)cc2)CC1=O	408657404	JWZHVASBKOIHDN-MRXNPFEDSA-N	443.887	2.314	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])CC2)cc1	8683234	JEHUKRZPCUGJIG-KGENOOAVSA-N	430.486	2.454	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1OC	16186865	RSNPSANGZRWKTM-LPYMAVHISA-N	435.477	2.170	50	40	IEGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(I)cc1	32118910	LXXPBTVGMYIEHU-UHFFFAOYSA-N	431.280	2.302	50	40	IEGB	
C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2CCCC2)c2ccccc21)c1cccs1	100585739	QTEDTDMVBIOUSE-UCEQWORRSA-N	425.514	2.409	50	40	IEGB	
CCCOc1ccc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2ccccc2)cc1	2308117	ZQWFHOJKLCSOAO-YDZHTSKRSA-N	432.444	2.452	50	40	IEGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12	12971287	DWTYQFZZMWMGLR-KUHUBIRLSA-N	425.938	2.409	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(C)(=O)=O)cc1OC	20211865	FTKPLYUSXJHFCP-LPYMAVHISA-N	435.477	2.315	50	40	IEGB	
CCOc1ccc(C(=O)NN[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC	101853180	PUEZZEHZYMUEGZ-MRXNPFEDSA-N	431.876	2.309	50	40	IEGB	
C[C@@H](NC(=O)COC(=O)CCC(=O)NNC(=O)c1ccc(Cl)cc1)c1ccccc1	408663807	OEJAJGLVRLPAKV-CQSZACIVSA-N	431.876	2.302	50	40	IEGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)cc(I)c1OC	408762314	AOYJWTMDKKSYFB-MDWZMJQESA-N	442.253	2.464	50	40	IEGB	
Cn1nc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c2ccccc2c1=O	3428723	TVLYJACLWHYVJV-UHFFFAOYSA-N	428.448	2.441	50	40	IEGB	
COc1ccc(N(CC(=O)N/N=C/c2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1	408776231	XEXITDJGFSOFGS-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1[N+](=O)[O-]	2085312	BXCLRMSGKUBEOW-RGVLZGJSSA-N	434.474	2.137	50	40	IEGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	3116407	RTDFEQHVNUITBA-FSJBWODESA-N	436.380	2.287	50	40	IEGB	
Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Cc1nc2ccccc2n1C	9631504	OETZEYIDCUFEIE-IBGZPJMESA-N	435.528	2.416	50	40	IEGB	
COc1ccccc1NC(=O)COc1ccc(/C=N\NC(=O)CC(=O)NCC(C)C)cc1	58872996	DBISASWEEXFHBL-QFEZKATASA-N	440.500	2.325	50	40	IEGB	
COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1cc2oc3ccccc3c2cc1OC	100527441	QSCKTOXEEFFSLH-DHRITJCHSA-N	440.456	2.178	50	40	IEGB	
COc1ccc(Br)cc1/C=N/NC(=O)CN(C)S(=O)(=O)c1ccccc1	16186818	UNXOWKOOKKOFKV-YBFXNURJSA-N	440.319	2.229	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)COc2ccc(F)cc2)nnc1-c1ccccc1	32731322	VMNAHCZZZBTGKN-UHFFFAOYSA-N	429.477	2.423	50	40	IEGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Br)cc1F	101311669	ATRHMOACZYPPBV-HMILLTCMSA-N	441.731	2.428	50	40	IEGB	
COc1cccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccccc3O)C2=O)c1	1908880	XGSLIIUCZSUJME-MHWRWJLKSA-N	443.506	2.063	50	40	IEGB	
COc1ccccc1/C=C/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	10022391	MQTGHJLZFKRWAM-UCXQJLNCSA-N	429.498	2.145	50	40	IEGB	
CCCCCn1nc(C(=O)NNS(=O)(=O)c2ccc(OC)cc2)c2ccccc2c1=O	16097241	UUUFBMSTZQDPKB-UHFFFAOYSA-N	444.513	2.219	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccccc1Cl	17471572	QPHZXGVNIMSQPA-FOKLQQMPSA-N	444.875	2.095	50	40	IEGB	
CCOc1c(I)cc(/C=N/NC(=O)CC2(C)OCCO2)cc1OC	19646816	RWHDQSHKIVKUGJ-VCHYOVAHSA-N	448.257	2.302	50	40	IEGB	
Cn1/c(=N\NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)sc2ccccc21	104923812	FORAHPDMPLBIEX-LSDHQDQOSA-N	430.555	2.273	50	40	IEGB	
CCOC(=O)C1=C[C@@]2(C#N)O[C@H](OCC)[C@H]1[C@@H]1[C@@H](OCC)CC(C#N)=C[C@@]12C(=O)OCC	245239500	JSGWTFQNBMFHIF-BBVXBTPUSA-N	444.484	2.185	50	40	IEGB	
O=C(Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)N/N=C/c1ccc(Cl)cc1	408731207	LGWAGDHIRJBCGZ-KEBDBYFISA-N	444.860	3.045	50	40	IEGB	
CC(C)OCCCNC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	409250398	KXOFCUCJAWUBTQ-MFKUBSTISA-N	440.500	2.086	50	40	IEGB	
COc1ccc(N/C=C2\C(=O)N(CCCN3CCCC3=O)C(=O)C(C#N)=C2C)c(OC)c1	8991018	JGIZDWFRPBVMQM-JXAWBTAJSA-N	438.484	2.221	50	40	IEGB	
O=C(N/N=C/[C@@H]1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)c1ccccc1	107814141	YTYPINKMVGUNTF-DGURAOSJSA-N	429.230	2.064	50	40	IEGB	
Cc1ccc(NC(=O)COC(=O)CCCC(=O)NNC(=O)c2ccccc2)cc1[N+](=O)[O-]	408648461	YGTXDHNQHWBJIP-UHFFFAOYSA-N	442.428	2.016	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)ccc1O	16196003	CSFPRIWZENLBRF-OEAKJJBVSA-N	440.481	2.141	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1	408773545	RLHRIIODEMEQPD-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CC(C)c1ccc(N(CC(=O)N/N=C2/C(=O)N(C)c3ccccc32)S(C)(=O)=O)cc1	409328201	PYJNISGKKMDLHI-BSYVCWPDSA-N	428.514	2.073	50	40	IEGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1cc(Br)cc(Br)c1O	3090387	UUQZLIRNHHDBKR-NGYBGAFCSA-N	445.067	2.390	50	40	IEGB	
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)c2ccoc2C)cc1	3432181	CUJMEZSXFOCRJJ-UHFFFAOYSA-N	443.481	2.497	50	40	IEGB	
COc1ccc(CC(=O)N/N=C\c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1	408960127	CBUUMCOJEFLLMG-MYYYXRDXSA-N	434.496	2.202	50	40	IEGB	
COc1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1[N+](=O)[O-]	408970070	ZTFFDGWIXHHFLW-KGENOOAVSA-N	446.485	2.154	50	40	IEGB	
Cc1ccc(C(=O)N[C@H](C(=O)N/N=C\c2cn(CC(N)=O)c3ccccc23)C(C)C)cc1	10000649	JIHDGCSGLGZCSN-GMMBANTPSA-N	433.512	2.340	50	40	IEGB	
O=C(NNC(=O)C1CCN(C(=O)OCC(F)(F)F)CC1)c1cc(-c2ccccc2)n[nH]1	25637769	IXFJQQFHKZJSIM-UHFFFAOYSA-N	439.394	2.249	50	40	IEGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCCO2	9805442	WHBSZMRRNUTCEZ-AFUMVMLFSA-N	440.456	2.234	50	40	IEGB	
CSCC[C@@H](NC(=O)c1ccco1)C(=O)NNC(=O)CSc1ccccc1F	15465562	AEDWLVIDMPHAGA-CYBMUJFWSA-N	425.507	2.210	50	40	IEGB	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccccc1OCC(=O)NN=Cc1ccco1	408948514	PHGBQHXNYCYANR-IBGZPJMESA-N	442.497	2.165	50	40	IEGB	
COC(=O)[C@H]1C(=O)NC(SCC(=O)NCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	409144741	PQZBGRMFTJEWOA-VQTJNVASSA-N	435.505	2.474	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC2CC2)ccc1OCC(=O)Nc1ccccc1C	409264989	NDSFTTVCSSDHEW-ZMOGYAJESA-N	438.484	2.140	50	40	IEGB	
COc1ccc(/C=N/NC(=O)C2=NO[C@@H](Cc3cc(OC)c4c(c3OC)OCO4)C2)cc1	15085896	ALEBROPMCNZFAJ-IMQYADFFSA-N	441.440	2.279	50	40	IEGB	
CSC[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@H]2C1=O	95947968	ALHAXHSMCSYVPJ-NEVRVQPYSA-N	447.601	2.257	50	40	IEGB	
CCOc1cc([C@@H]2C(C#N)=C(N)O[C@H]3CCCC(=O)[C@@H]32)ccc1OCCN1CCOCC1	102701524	HOBDXMMBUUQKFW-WWNPGLIZSA-N	441.528	2.342	50	40	IEGB	
COc1cccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]4C[C@@H]([C@@H]5C(=O)OC(=O)[C@@H]54)[C@H]23)c1O	245241888	SPEHUXFIJAAOEY-KBVOOBGISA-N	431.491	2.339	50	40	IEGB	
O=C(c1ccccc1)N(NC1=NS(=O)(=O)c2ccccc21)S(=O)(=O)c1ccccc1	1436662	HIKIRDDFTYTHCG-UHFFFAOYSA-N	441.490	2.171	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1	3362338	XMOBIISRMJOZQZ-UHFFFAOYSA-N	437.905	2.208	50	40	IEGB	
O=C(NNC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1)c1ccco1	32868868	KVPNDHAVOXPPTK-UHFFFAOYSA-N	431.495	2.163	50	40	IEGB	
C[C@@H](NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CCCC2)cc1)c1ccccc1	59959695	FNIPLGDADAXEQJ-SCELWYEFSA-N	436.512	2.452	50	40	IEGB	
O=C(N/N=C/[C@H]1C(=O)NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C1=O)c1ccc(Br)cc1	408534626	MLMXWTOVMCDVGH-CRENNJPRSA-N	447.289	2.048	50	40	IEGB	
COc1ccc(Cl)cc1-c1nc(SCC(=O)NNC(=O)COc2ccccc2)n[nH]1	408636810	CSHNQNYSEUKSKP-UHFFFAOYSA-N	447.904	2.452	50	40	IEGB	
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NN=C(C)C)cc1OC	8856288	KQBONETZDGIZOF-UHFFFAOYSA-N	433.530	2.449	50	40	IEGB	
C[C@@H](Oc1cccc(Br)c1)C(=O)NNC(=O)c1ccc(-n2cncn2)cc1	15762770	LUWWBPADBBDQML-GFCCVEGCSA-N	430.262	2.258	50	40	IEGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1OC	409147466	YCEPFCMZVAGGGO-AWQFTUOYSA-N	446.312	2.439	50	40	IEGB	
CN(CCCC(=O)NNC(=O)c1cc(Cl)ccc1O)S(=O)(=O)c1ccc(F)cc1	10624621	JQXQYJMWJVYCAM-UHFFFAOYSA-N	443.884	2.047	50	40	IEGB	
CCO[Si](CCCN(CCC[Si](OC)(OC)OC)C(N)=O)(OCC)OCC	198364510	KUSIHIMSYBNTGX-UHFFFAOYSA-N	426.659	2.074	50	40	IEGB	
Cc1cccc(/C=N/NC(=O)[C@@H](NC(=O)c2ccccc2)c2n[nH]c(=O)c3ccccc23)n1	9065035	RFVWILVAFUFBCO-NFCNUSAFSA-N	440.463	2.248	50	40	IEGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c1C	12973640	UZLAEBGUSZNAPK-IRXDYDNUSA-N	425.485	2.422	50	40	IEGB	
Cc1cc(C(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c(C)o1	9316158	GSMUSYQDDOQCBW-UHFFFAOYSA-N	433.530	2.375	50	40	IEGB	
CC(=O)Nc1sc2c(c1C(=O)OCC(=O)NNC(=O)c1ccccc1F)CCCC2	13149711	QJBWQGYSPQHINV-UHFFFAOYSA-N	433.461	2.342	50	40	IEGB	
CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cccc(S(C)(=O)=O)c3)cc2C1	40058094	DVWQVPJWLMFXQC-GFCCVEGCSA-N	442.584	2.290	50	40	IEGB	
O=C1N=C(O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NNC(=O)c1ccccc1O	2307556	NWOIFSXXOPMCGD-LCYFTJDESA-N	434.330	2.017	50	40	IEGB	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)N1CCCC1	60544178	HVJKPAHHKQXNOH-ZVHZXABRSA-N	438.484	2.094	50	40	IEGB	
O=C(N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)c1cc([N+](=O)[O-])ccc1O	409039984	DXHQDLJKSRAPLW-OMCISZLKSA-N	425.151	2.441	50	40	IEGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(OC)c1	409272126	OSBHUZXXVXYYMY-CBFMJHRQSA-N	440.500	2.386	50	40	IEGB	
COc1ccc(CC(=O)NNC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1	9720541	YYPWNECOQNTQRE-UHFFFAOYSA-N	439.390	2.059	50	40	IEGB	
CCN(CC)S(=O)(=O)c1ccc(C(=O)N/N=C2\SCC(=O)N2c2ccccc2)cc1	13534758	NIZHKNDGFVCCKD-XDOYNYLZSA-N	446.554	2.498	50	40	IEGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)n(CCCN4CCOCC4)c(=O)c32)cc1	19890643	CITCMGLCGXMOLK-NRFANRHFSA-N	436.512	2.106	50	40	IEGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1	28213968	OJEQJNKQJSROOB-ORBAKXMTSA-N	425.485	2.198	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NCCc2ccccc2)cc(Br)c1O	59483788	RBMMFPSEYGXXRZ-WSDLNYQXSA-N	434.290	2.362	50	40	IEGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)c1	409379998	FJHABFYUYIYKTP-ZVVFGRKBSA-N	449.463	2.053	50	40	IEGB	
O=C(CN(c1cccnc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccc1C(=O)O	19952821	RHUZACOAOATRCE-YDZHTSKRSA-N	438.465	2.125	50	40	IEGB	
Cc1ccc(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)o2)c(C)c1	33523266	QTHVGQAOTXHLSN-UHFFFAOYSA-N	446.573	2.307	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)CSc2ccc(C)c(C)c2)cc1	14244407	VZECDVBHQUODJS-UHFFFAOYSA-N	435.571	2.172	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2ccc(Cl)cc2C)S(C)(=O)=O)ccc1O	408782687	IPYGEAYXHYMVMV-KEBDBYFISA-N	425.894	2.279	50	40	IEGB	
COc1ccc(-n2nc(C(=O)N/N=C\c3ccc(N(C)C)cc3)c(C)c(C#N)c2=O)cc1	409052017	FWNQZPLLBCRGKB-QFEZKATASA-N	430.468	2.251	50	40	IEGB	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	2753108	CIWSHFIMPQGIJV-QGMBQPNBSA-N	431.257	2.330	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)c1ccc(Br)o1	3322807	OBDGASRKAUHHCI-UHFFFAOYSA-N	431.626	2.322	50	40	IEGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)c2cc(Cl)ccc2OC)c1	3549889	RVLHXMIGJPLLLJ-UHFFFAOYSA-N	439.921	2.454	50	40	IEGB	
N#C/C(=C/c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1)C(=O)NC[C@@H]1CCCO1	89780940	IWMSYKYOPHKIPH-ZGOJOJOXSA-N	434.496	2.091	50	40	IEGB	
COCc1cc(C)n(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)c1C#N	98087308	LZXNYKOQPWAEJH-BHGWPJFGSA-N	449.423	2.493	50	40	IEGB	
Cc1ccc(N2C(=O)NC(=O)[C@H](/C=N/NC(=O)c3ccc(NC(=O)C(C)C)cc3)C2=O)cc1	408537529	WALMXJQDNOXEOZ-AMAFCZHPSA-N	449.467	2.204	50	40	IEGB	
CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@H](C)NC(C)=O	4773959	MRUQREKKEWZUFF-KBXCAEBGSA-N	446.375	2.086	50	40	IEGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCc1ccccc1	19927852	YGNKHNXVJRWXDI-WAGPWIPHSA-N	426.494	2.484	50	40	IEGB	
Cc1cccc(C)c1N1C[C@@H](C(=O)OCC(=O)NNC(=O)c2ccccc2Cl)CC1=O	139066381	JGAQLJAMQBATMH-HNNXBMFYSA-N	443.887	2.314	50	40	IEGB	
COC(=O)c1ccc(NC(=O)C(=O)N/N=C\c2cc(Br)ccc2OC)cc1	223159680	VDONHHLKABMHKA-JMIUGGIZSA-N	434.246	2.333	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1	408964685	YWIHGNJUGNBONV-OEAKJJBVSA-N	447.488	2.163	50	40	IEGB	
CC/C(=N\NC(=O)c1nnn(-c2nonc2N)c1CN(C)c1ccccc1)c1ccccc1	9293483	FIPRCJKUBOLNQK-JJIBRWJFSA-N	445.487	2.413	50	40	IEGB	
COc1ccc(S(=O)(=O)N(Cc2ccc(C(=O)NN)cc2)Cc2cccnc2)cc1	12505454	XHNYJFUBFPLAEE-UHFFFAOYSA-N	426.498	2.085	50	40	IEGB	
CS(=O)(=O)N(CC(=O)N/N=C/c1c(O)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	409025386	QMOPXZGQWKPSBW-CIAFOILYSA-N	442.453	2.370	50	40	IEGB	
COC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc(OC)ccc2OC)sc2c1CCC2	2404192	UWUUEPLLCZYGAL-UFFVCSGVSA-N	431.470	2.129	50	40	IEGB	
CCCc1nn2c(=O)cc(COc3ccc(/C=C(\C#N)C(N)=O)cc3OC)nc2s1	20331901	YPTDQIYIUGZTGR-NTUHNPAUSA-N	425.470	2.083	50	40	IEGB	
COc1ccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)c(OC)c1	409061480	XUTWEGKEMJLEQS-ROTLSHHCSA-N	435.415	2.333	50	40	IEGB	
C=C(C)C(=O)OCCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(OC)c1	2272077	KHYLPPYBULKWGB-LJQANCHMSA-N	428.441	2.448	50	40	IEGB	
CCOC(=O)C1=C2SC(C(=O)OC)=CC(=O)N2C(N)=C(C#N)[C@H]1c1ccc(F)cc1	1408468	QNMMLVUZFOECFW-OAHLLOKOSA-N	429.429	2.024	50	40	IEGB	
CN(Cc1c(F)cccc1Cl)C(=O)NNC(=O)c1csc(N2CCOCC2)n1	13015950	AIZBQEYLSMRZGQ-UHFFFAOYSA-N	427.889	2.259	50	40	IEGB	
Nc1nnnn1CC(=O)N/N=C/c1cc(Cl)ccc1OCc1c(F)cccc1Cl	16383754	SBMFDNGWFICGNG-QPJQQBGISA-N	438.250	2.431	50	40	IEGB	
N#C/C(C(=O)NN1CCOCC1)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	31829064	AAANRNUBIXFQID-PAYQVUOSSA-N	434.521	2.476	50	40	IEGB	
COc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)CC(=O)NCC(C)C)cc2)cc1	58872985	SYIHUKPBVZVCTG-QFEZKATASA-N	440.500	2.325	50	40	IEGB	
C=CCOc1ccc(/C=N/NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1OC	409146884	VKQSBSXNKFVOGL-HYARGMPZSA-N	431.514	2.172	50	40	IEGB	
Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NNC(=O)[C@@H]3COc4ccccc4O3)n2)n1	3402318	KVGXMQTZOBSEMM-INIZCTEOSA-N	427.848	2.139	50	40	IEGB	
COCCn1c(SCC(=O)NNC(=O)C2CCCCC2)nnc1-c1ccc(OC)cc1	6905381	HNZGOEQNVMMBOJ-UHFFFAOYSA-N	447.561	2.420	50	40	IEGB	
NNC(=O)N/N=C(/C[C@]1(O)C(=O)Nc2c(Cl)ccc(Cl)c21)c1ccc(F)cc1	8655307	RQYFWYOKQVUJFO-SAMUYDCASA-N	426.235	2.240	50	40	IEGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1	104338945	UFBDHFCLOJDELW-SSZFMOIBSA-N	447.900	2.301	50	40	IEGB	
CCOc1ccccc1NC(=O)COC(=O)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	408688366	WCZLHXHKAPXZHU-NKFXAPPTSA-N	438.274	2.138	50	40	IEGB	
Cc1cc(SCC(=O)NNC(=O)c2nn(C)c(=O)c3ccccc23)nc2ccccc12	9221263	HNJUJPVPJUXNJC-UHFFFAOYSA-N	433.493	2.343	50	40	IEGB	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	20214506	WWMNUDNFZJGLCC-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
CCn1c(SCC(=O)NNC(=O)Cc2ccccc2)nc2sc3c(c2c1=O)CCC3	924243	MBXODAGKVPWTOE-UHFFFAOYSA-N	442.566	2.449	50	40	IEGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1	6143023	SQWCGDRTQOPXPG-ZFJBLLOBSA-N	449.916	2.430	50	40	IEGB	
CCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2OC)S(C)(=O)=O)cc1	408787024	ZTRSFINWSIIPTK-FYJGNVAPSA-N	435.502	2.019	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2cccc3c2OCCO3)S(C)(=O)=O)cc1	408926443	TYHYEFANVQZOBY-QQHUYRGFSA-N	447.513	2.161	50	40	IEGB	
COc1cc(C(=O)NNC(=O)[C@@H]2COc3ccccc3O2)cc(OC)c1Br	13019234	VMAAIGSWLUQBLX-HNNXBMFYSA-N	437.246	2.067	50	40	IEGB	
[N-]=[N+]=Nc1ccc(SSCCC(=O)ON2C(=O)C[C@@H](S(=O)(=O)O)C2=O)cc1	76945689	XKSOTQXTPALQMY-SNVBAGLBSA-N	432.461	2.232	50	40	IEGB	in-vitro
COC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)N(c2ccccc2)S(C)(=O)=O)cc1OC	408907483	PBJQOSKZBCMKBS-HADWXUJASA-N	449.485	2.145	50	40	IEGB	
O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)N/N=C/c1ccncc1	20214408	MGYAOSYIQPDVGX-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cc(C)oc1C	27618401	VMUUTACBAKGHQN-KRWDZBQOSA-N	439.559	2.066	50	40	IEGB	
Cc1cc(C)cc(N2C[C@H](C(=O)OCC(=O)NNC(=O)c3ccccc3Cl)CC2=O)c1	408658252	QJVXMVDAABZPLL-OAHLLOKOSA-N	443.887	2.314	50	40	IEGB	
O=C(NNC1=C(Cl)C(=O)c2ccccc2C1=O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	1573834	IBUVZHXFQIUUGQ-UHFFFAOYSA-N	449.206	2.337	50	40	IEGB	
CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccc(O)c(O)c3)CC2)cc1	3238031	AVDCFJRTNMXKLL-HYARGMPZSA-N	447.513	2.048	50	40	IEGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNC(=O)c1cccc([N+](=O)[O-])c1	8820292	HKEKPIWOQXIYJK-GXDHUFHOSA-N	446.466	2.240	50	40	IEGB	
CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N/N=C2\C[C@H]3CC[C@@]2(C)C3(C)C)c1	104471379	CLSHNNYAXAGWNR-KBNXOFTASA-N	435.546	2.460	50	40	IEGB	
COc1cccc(/C=N\NC(=O)c2nn(-c3ccc(F)cc3)c(=O)c(C#N)c2C)c1OC	409053753	HQECLCYUOPGSNS-ROTLSHHCSA-N	435.415	2.333	50	40	IEGB	
Cc1c(Cl)cccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NC2CC2)cc1	409249459	JFHYBDPDUMAPHZ-FOKLQQMPSA-N	428.876	2.395	50	40	IEGB	
BrC[C@H]1CN=C(N2CCN(C3=NC[C@H](CBr)S3)CC2)S1	836486	JVWZZGTVTMDTJV-UWVGGRQHSA-N	442.246	2.337	50	40	IEGB	
Cc1ccccc1OCC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1	3375441	AGXQJUSQTUFIHU-UHFFFAOYSA-N	445.541	2.400	50	40	IEGB	
O=C1Oc2ccc([N+](=O)[O-])cc2[C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@H]2[C@H]2C[C@@H]3[C@H](C(=O)O)[C@H]12	102707367	KSKYMHXYFVXPIQ-FWZHCTFQSA-N	446.462	2.453	50	40	IEGB	
COc1ccc(Cc2nnc(SCC(=O)NNC(=O)c3ccccc3)o2)cc1OC	408639781	ZHXQVCUCDFDDFT-UHFFFAOYSA-N	428.470	2.231	50	40	IEGB	
Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/NC(=O)COc3ccccc3)o2)cc1	408867857	MGEWUKLLPZFESX-AFUMVMLFSA-N	434.452	2.372	50	40	IEGB	
NC(=O)CN1C(=O)/C(=N\NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)c2ccccc21	13777598	CWNBCRWEHFASOL-CEUZYJICSA-N	438.487	2.345	50	40	IEGB	
COc1cc(OC)cc(C(=O)NN[C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c1	102922038	MMFHUEXIEVFAPE-INIZCTEOSA-N	448.273	2.033	50	40	IEGB	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)c1cc(C)oc1C	27618396	VMUUTACBAKGHQN-QGZVFWFLSA-N	439.559	2.066	50	40	IEGB	
C[C@H](Oc1ccc(C#N)cc1)C(=O)NNS(=O)(=O)c1ccc(Br)s1	12775623	HFRKBMKPPKEDEV-VIFPVBQESA-N	430.305	2.159	50	40	IEGB	
CC(C)CC(=O)NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1	14239856	XQUOZVJDQAAOLK-CYBMUJFWSA-N	446.367	2.043	50	40	IEGB	
CN1C(=O)C[C@@H](C(=O)NNC(=O)COc2ccccc2-c2ccccc2)[C@H]1c1cccnc1	72284100	GZGUXWZYJWVDNQ-HYBUGGRVSA-N	444.491	2.494	50	40	IEGB	
COc1cccc(/C=N/NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1OC	408772469	PMWSROYVIYDNEX-RGVLZGJSSA-N	425.894	2.274	50	40	IEGB	
CN1N=C(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CCC1=O	22738417	URIAGCDRMMWFOP-UHFFFAOYSA-N	436.497	2.224	50	40	IEGB	
Cc1ccc(S(=O)(=O)NCCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C	25423548	HXTZREFHCSYHAB-UHFFFAOYSA-N	433.574	2.336	50	40	IEGB	
N#C/C(=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O)C(=O)NCc1ccccc1	408747506	OXSQJWBBYTZPAK-QXSWTLKVSA-N	438.896	2.470	50	40	IEGB	
CCOc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCC#N)cc2)S(C)(=O)=O)cc1	408914211	WEGGDHPLFXWOIV-LGVXEURYSA-N	444.513	2.292	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)Cn2nnc(-c3ccccc3)n2)cc(Br)c1O	1106611	IXEHCBRATNIUAX-KEBDBYFISA-N	445.277	2.357	50	40	IEGB	
Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NNC(=O)Nc3ccccc3F)C2)cc1	12848013	AUEJHUUKWSSGJH-HNNXBMFYSA-N	434.493	2.388	50	40	IEGB	
COc1cc(C[C@@H]2CC(C(=O)N/N=C/c3ccccc3F)=NO2)c(OC)c2c1OCO2	15085904	YGAITDXMDQEFJT-LOLZCCBGSA-N	429.404	2.409	50	40	IEGB	
O=C(COC(=O)[C@H]1[C@H]2C(=O)O[C@H]3[C@@H]2C[C@H]1[C@H]3Br)Nc1ccccc1Cl	408687837	VGPAAGLIMFHLJL-BANCJSOYSA-N	428.666	2.393	50	40	IEGB	
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NNC(=O)c3ccco3)cc2)cc1	12772591	ZHXCHJUIZLFFAB-UHFFFAOYSA-N	427.482	2.484	50	40	IEGB	
N#C/C(=N\Nc1c(Br)cc(Br)cc1Br)C(=O)NN	13601784	WNNKPLDKGUJOPY-FRKPEAEDSA-N	439.893	2.255	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1[N+](=O)[O-]	20208480	ADRGDKLWWBXXKE-RGVLZGJSSA-N	434.474	2.137	50	40	IEGB	
CCOc1cc(/C=N/NC(=O)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1	408612388	VFAXSPYUUOKQDQ-CPUXBYDOSA-N	425.485	2.410	50	40	IEGB	
CCc1ccc(N(CC(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)S(C)(=O)=O)cc1	409023738	DVDPELKCFUVEPK-PXLXIMEGSA-N	431.514	2.327	50	40	IEGB	
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCOCC3)nc12	2202223	ZPTLKLFLRHEZTQ-CAPFRKAQSA-N	443.507	2.105	50	40	IEGB	
Cc1ccc(-c2c(C(=O)N/N=C/c3cc(Cl)ccc3O)nnn2-c2nonc2N)cc1	2264247	KECUERUAFAWESX-LSFURLLWSA-N	438.835	2.331	50	40	IEGB	
Cc1ccc(C)c(OCc2ccc(C(=O)NNC(=S)NCCCN3CCOCC3)o2)c1	33523254	BJMAVVCWXHGGDF-UHFFFAOYSA-N	446.573	2.307	50	40	IEGB	
COc1ccccc1NC(=O)CCCC(=O)OCC(=O)NNC(=O)c1ccccc1Cl	408662554	FIBKQCRDHUYTBA-UHFFFAOYSA-N	447.875	2.462	50	40	IEGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1)c1ccccc1	408779302	UVXHXFMEVJOGID-IORORUSLSA-N	425.485	2.198	50	40	IEGB	
CCOC(=O)CC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)[C@@H](C(=O)OCC)C(=O)N1	2367824	WWMKYRCQEAUKDS-QZTJIDSGSA-N	448.472	2.209	50	40	IEGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1	9493665	VLGRVUAMRMFFKG-NBVRZTHBSA-N	440.525	2.319	50	40	IEGB	
O=C(NNC(=O)c1cccn(Cc2ccc(F)cc2)c1=O)c1ccc(Br)o1	23109300	WTKIKMGNTYZKAV-UHFFFAOYSA-N	434.221	2.466	50	40	IEGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)CCc3nc(-c4nc[nH]n4)no3)cc2C1	78718631	LVLJNEACBMURHS-GFCCVEGCSA-N	443.533	2.461	50	40	IEGB	
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N/N=C\c1ccccc1Br	107985334	AOVWBEAHICZZCF-MOSHPQCFSA-N	438.347	2.404	50	40	IEGB	
COc1ccc(OC)c2sc(NNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12	9381908	HQWUBWXIGHBNLQ-UHFFFAOYSA-N	436.515	2.321	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	15227793	ZXQNCEXBQRATEJ-VXLYETTFSA-N	440.865	2.028	50	40	IEGB	
O=C(N[C@@H](Cc1cnc[nH]1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1)OCc1ccccc1	408991815	QZWXAMIOEJVSQO-AZCDICLMSA-N	436.428	2.306	50	40	IEGB	
Cc1nn(Cc2ccc(C(=O)NNC(=O)c3ccnn3C)cc2)c(C)c1Br	13595799	MQOVYPLMRCPBHM-UHFFFAOYSA-N	431.294	2.119	50	40	IEGB	
Cn1cc([N+](=O)[O-])c(C(=O)N/N=C\c2cc(Br)c(O)c(Br)c2)n1	32705919	OTHBZKQOEOCKDI-TVPGTPATSA-N	447.043	2.323	50	40	IEGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)C(=O)NCc2ccco2)cc1	409253934	CNOZEOWYTCOJBK-DHRITJCHSA-N	434.452	2.372	50	40	IEGB	
O=C(Cc1ccccc1)NCC(=O)N/N=C1\C(=O)N(CCc2ccccc2)c2ccccc21	1248356	MRNGMWYRUNQUPK-GNVQSUKOSA-N	440.503	2.455	50	40	IEGB	
CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NN	5437457	VSVRGSHQWPGVGZ-MORSLUCNSA-N	431.537	2.125	50	40	IEGB	
O=C(COc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1)Nc1ccc(F)cc1	409248741	FSOSPLWIXVVSCU-BRJLIKDPSA-N	438.415	2.203	50	40	IEGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cccc(Br)c2)[C@@H](C(=O)OC)C(=O)N1	409317936	SDUAOEADGGUXOK-ZIAGYGMSSA-N	439.287	2.093	50	40	IEGB	
C/C(=N\NC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)c1cccc([N+](=O)[O-])c1	9307011	QCVOPDPNAIUCHT-DJKKODMXSA-N	439.417	2.023	50	40	IEGB	
CSC[C@H](C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O	9439821	ALHAXHSMCSYVPJ-NIICNCKXSA-N	447.601	2.257	50	40	IEGB	
COc1cc(C(=O)NNC(=O)C2CCN(C(=O)c3cccs3)CC2)cc(OC)c1OC	39977598	WGELNBXOTRWYTF-UHFFFAOYSA-N	447.513	2.087	50	40	IEGB	
CCOc1cccc(-c2c(C(=O)N/N=C/c3ccccc3OC)nnn2-c2nonc2N)c1	9346117	INIBDNYHGBMWOG-FSJBWODESA-N	448.443	2.071	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1	16186826	QKYPYMZOKLNSQU-RGVLZGJSSA-N	425.894	2.128	50	40	IEGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)[C@@H](NS(=O)(=O)c1ccccc1)C(C)C	12971824	RSOCOZAFQWVDQB-KRWDZBQOSA-N	439.921	2.113	50	40	IEGB	
COc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1[N+](=O)[O-]	20208118	AUVXUNTXIPNDLU-RGVLZGJSSA-N	434.474	2.137	50	40	IEGB	
O=C(NNC(=S)NCc1ccccc1)c1ccc(I)c(O)c1	408588007	VTKJAHYKMPKNHI-UHFFFAOYSA-N	427.267	2.306	50	40	IEGB	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N/N=C/c1cccnc1	408727968	UCQDCUBAWJCNOA-HYARGMPZSA-N	439.453	2.335	50	40	IEGB	
Cc1cc2c(cc1/C=N/NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)OCc1ccccc1)OCO2	409001545	JAHGPAVCKMRBRH-CZLKLAILSA-N	449.467	2.435	50	40	IEGB	
CCc1ccc(N(CC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)S(C)(=O)=O)cc1	409028143	KMEPLTGBFPBMKS-UDWIEESQSA-N	434.474	2.082	50	40	IEGB	
Cc1cc(NC(=O)CSCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)no1	9783606	YJHDYWIQCPHPLK-UHFFFAOYSA-N	427.442	2.040	50	40	IEGB	
O=C(CCC(=O)Nc1ccccc1)NNC(=O)c1cccc(I)c1	12376710	LVPODGZPNJIRSA-UHFFFAOYSA-N	437.237	2.471	50	40	IEGB	
COc1cc(/C=N/NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc(OC)c1OC	20208463	BHSUYUHDJXLDIJ-WSDLNYQXSA-N	449.529	2.246	50	40	IEGB	
COc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1OC	409149520	IXNRVBFYISZFAK-LSHDLFTRSA-N	445.419	2.151	50	40	IEGB	
CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)[C@@H](C)NC(C)=O	4773957	MRUQREKKEWZUFF-RDTXWAMCSA-N	446.375	2.086	50	40	IEGB	
N#CC(C(=O)COC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1)=C1Nc2ccccc2N1	9633908	NBWUCFISMVMEMF-KRWDZBQOSA-N	430.464	2.463	50	40	IEGB	
CC(C)CNC(=O)CC(=O)N/N=C\c1ccc(OCC(=O)NCCc2ccccc2)cc1	58872981	OXNRZDFNRKHZTL-YUMHPJSZSA-N	438.528	2.037	50	40	IEGB	
CCNC(=O)C(=O)N/N=C/c1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1	409158337	SOGTVAISQUETRC-OPEKNORGSA-N	436.390	2.309	50	40	IEGB	
C[C@@]1(C(=O)NNC(=O)[C@@]2(C)CC2(Br)Br)C[C@@H]1Br	3110509	DIAHWIUTKFYPQO-LQQYEPNUSA-N	432.938	2.203	50	40	IEGB	
COc1cccc(C(=O)NNC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)c1	408615132	MIMIBUMDWBXPMT-CYBMUJFWSA-N	432.274	2.272	50	40	IEGB	
O=C(COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1)NCc1ccco1	409185430	LKMJVSPXTFFGPA-AXDLBROPSA-N	435.436	2.265	50	40	IEGB	
COC(=O)c1sccc1NC(=S)NNC(=O)c1cc(OC)c(OC)c(OC)c1	2571164	DXOFQAGKVDBMCG-UHFFFAOYSA-N	425.488	2.192	50	40	IEGB	
C=CCc1cc(/C=N\NC(=O)COc2ccc(OC)cc2)cc(OC)c1OCC(=O)O	408852913	JRWSRSONLYPHNH-FMCGGJTJSA-N	428.441	2.425	50	40	IEGB	
CS(=O)(=O)N1CCc2cc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)ccc21	20000839	SAAWOESJSJIFTF-UHFFFAOYSA-N	431.558	2.376	50	40	IEGB	
CCOC(=O)/C(C#N)=C/C(C(=O)OCC)=C(/N)N1CCN(c2ccc(Cl)cc2)CC1	100913747	ONIARHQTYYAYGD-AXXMRAISSA-N	432.908	2.208	50	40	IEGB	
O=C(CCl)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1	101315750	RCEQNWCETVTYQI-SJBLEHGESA-N	428.841	2.425	50	40	IEGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)c1	408765391	VRUJCOOOLGUIPK-BOURKTIISA-N	433.530	2.465	50	40	IEGB