smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1cccc2ccccc12	12363201	LGFIEJRREXQTMY-FSJBWODESA-N	427.298	4.660	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OCC	59116823	GGGRYJDPOXTYFL-ZROIWOOFSA-N	433.277	4.931	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1OC(C)C	408676420	IPLQDVSGSZWYIO-MFKUBSTISA-N	429.948	4.890	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)c1	408747003	XVEVAZFXCJCDJW-ZHZULCJRSA-N	443.503	4.825	50	40	IJGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1	408762231	JRMZAGKPBTVYRZ-WGOQTCKBSA-N	439.427	4.731	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC	1056782	FTZDMAJQQWWJMU-XMMPIXPASA-N	443.547	4.953	50	40	IJGB	
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1	3209904	NLHXSPNKQXQFOS-NMWGTECJSA-N	447.541	4.647	50	40	IJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1cccc(Br)c1	9693448	OIYAKUHNQWBUBX-KRWDZBQOSA-N	426.339	4.669	50	40	IJGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1	100600987	UWWZZOIIHIKQAU-SSZFMOIBSA-N	435.505	4.981	50	40	IJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl	408729399	ZKMGXRINHPIWQW-ZVBGSRNCSA-N	435.292	4.692	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	408797287	RCRBQHRBWCUKLN-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c(OC)c1	408871001	WUNKVCGKJZEVSN-RGVLZGJSSA-N	449.938	4.988	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OCC#N	408986610	RJBYMJXHXBJMMX-NTUHNPAUSA-N	446.688	4.559	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1COc1ccc(F)cc1	2768411	XIEHPXOZCRQKNT-HSZRJFAPSA-N	448.494	4.864	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)[C@H](O)c1ccccc1	14134669	MEBKVKIUIMITCR-RNRKLAHPSA-N	429.303	4.756	50	40	IJGB	
N#C/C(=C/c1ccccc1)C(=O)/N=C1\N=C2C=CC(Br)=CN2Cc2ccccc21	102947642	MBYPKLKLWSLERW-YATIHBHBSA-N	443.304	4.587	50	40	IJGB	
[O-][n+]1ccc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)c2ccc(Cl)cc21	104208380	LMWGSESPHSFKCN-OYKKKHCWSA-N	437.758	4.857	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccccc2Cl)c(C(=O)OCC)c1C	107933143	JZDDPPITZZLNNW-XNTDXEJSSA-N	445.924	4.782	50	40	IJGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2	408730878	VBIAMMGAHVHFIB-ROTLSHHCSA-N	438.300	4.872	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC	408754219	JEQUNFLDHBXOBB-ZVBGSRNCSA-N	446.128	4.927	50	40	IJGB	
CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408837184	ZSJHBRGHSDYRAR-RCCKNPSSSA-N	442.471	4.908	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	409066526	VVCXJYCMMJNLRT-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1	409111062	ALDAKUZKSUGXJN-QRVIBDJDSA-N	441.896	4.929	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccccc3)c2C)cc1Br	409381556	GMFCBTSSZNEFHX-DHRITJCHSA-N	439.357	4.727	50	40	IJGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2	2288873	IHOWYTOTYWZSRB-RUZDIDTESA-N	434.499	4.978	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(OCC)c1O	408857086	MYGULKQLDPLZSQ-UUYOSTAYSA-N	432.318	4.746	50	40	IJGB	
CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1	1781752	KGKOWXGTTJAMNL-DUNXJPOSSA-N	435.476	4.573	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccccc1	2235605	XIIDJZIJUIDUGW-QGZVFWFLSA-N	426.339	4.669	50	40	IJGB	
C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917406	NQBYBKQTPVNRKE-FOLBKQNQSA-N	449.526	4.646	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2cccc3ccccc23)cc1	59159298	HRKNLKDISRNNSY-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
N#C/C(=C\Nc1ccc(F)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	100480678	NXDLKDKVJIYQQX-JLHYYAGUSA-N	434.408	4.940	50	40	IJGB	
CCCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	108922277	QNTPKZDJOWFXQM-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
C[C@H](CC(=O)NNC(=O)c1cccc(F)c1)CC(=O)NC1CCCCCCCCCCC1	199425989	OXFMCSXUZAZGNS-IBGZPJMESA-N	447.595	4.793	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1	408586486	CFRBTPOUUVTWGE-LQKURTRISA-N	429.495	4.839	50	40	IJGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccccc4C#N)cc3)oc12	408970078	ABACWBAIJLRETC-JFLMPSFJSA-N	425.444	4.656	50	40	IJGB	
O=C(CCCC[C@H]1CCSS1)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1	575610090	ZPLBJMIFOWGJMD-INIZCTEOSA-N	436.672	4.937	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2C)c(OC)c1	1914146	IBFGWRZSTRTJEU-XSFVSMFZSA-N	437.492	4.547	50	40	IJGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1	3177652	UIKGLILQZWLJIP-RUZDIDTESA-N	447.496	4.678	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OC(=O)c1ccc(C)cc1	12590174	XRRBTUJCNKVROO-CPNJWEJPSA-N	430.435	4.908	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc(C(=O)O)ccc2C)o1	33603237	LGLFPFGUODLMGV-VULFUBBASA-N	428.444	4.879	50	40	IJGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	408527631	GCBRPIVBMMGWKB-MZJWZYIUSA-N	437.927	4.798	50	40	IJGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)OCCCO1	805325	GRGQGEXXFPYFLE-ZMOGYAJESA-N	437.323	4.566	50	40	IJGB	
C=CCc1cc(-c2cc(CC=C)c(O)c(CNCCCl)c2)cc(CNCCCl)c1O	4430151	XHSWURYSBBXODT-UHFFFAOYSA-N	449.422	4.879	50	40	IJGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2)c1	59332850	AWELGQZKHPCMPU-PLRJNAJWSA-N	437.543	4.830	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(N2CCCC2)cc1	408676684	MGIAKBORJXQJBJ-QFEZKATASA-N	437.883	4.662	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cccc(C(F)(F)F)c1	408961665	DDAZWLKJCFAZIM-LGJNPRDNSA-N	443.381	4.957	50	40	IJGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1	408979102	LGYHOKRBVXIBAE-UBCTUXONSA-N	445.519	4.593	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	408995128	JIIQNFOSOKMONA-YUMHPJSZSA-N	425.488	4.798	50	40	IJGB	
CC(=O)N/N=C/c1cc(Br)c(OCc2cccc(C)c2)c(Br)c1	409012743	RTEAKWPGNHTBGF-AWQFTUOYSA-N	440.135	4.569	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2cccc(Cl)c2)c1OCc1ccc([N+](=O)[O-])cc1	409079733	MALWGHFFNWZDNA-CFRMEGHHSA-N	439.855	4.600	50	40	IJGB	
Cc1cccc(N(NC(=O)[C@@](O)(c2ccccc2)c2cccs2)C(=O)c2ccccc2)c1	1412642	QCMJMOWFCODCMC-AREMUKBSSA-N	442.540	4.671	50	40	IJGB	
COc1cc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccoc3C)cc2)cc(OC)c1OC	9125494	RGCZIFXCLLDQQA-WOJGMQOQSA-N	447.443	4.623	50	40	IJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2C1	9693439	WBERWOGDFJAKDN-QGZVFWFLSA-N	440.366	4.977	50	40	IJGB	
COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)c1	38682074	CWFHDRJQSJEPDX-HSZRJFAPSA-N	444.512	4.854	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1OCC(=O)Nc1ccc(F)cc1	408542904	ONXXTYWWMRAFOZ-UYRXBGFRSA-N	446.434	4.614	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3)c2C)cc1Cl	408968593	ACLMZEMVJQPIGW-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OCC	409053533	ZFMDWNYNWNXEGL-SSDVNMTOSA-N	439.737	4.972	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1	409321791	JPSXUDUZFABLPN-GOSISDBHSA-N	437.590	4.736	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2Cl)cc(C)c1Cl	820449	PHRKWDZRIVJKRN-BHGWPJFGSA-N	431.323	4.633	50	40	IJGB	
COc1cc2c(cc1NC(=O)C(Cl)Cl)-c1ccc(NC(=O)C(Cl)Cl)cc1C2	1713231	KZWCRASEVNKSPS-UHFFFAOYSA-N	448.133	4.751	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCCOc1ccccc1	9425527	SBRZKXIWYBNVPR-HEHNFIMWSA-N	434.536	4.899	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1	32193931	SHZOLJUPJAAZLI-YSMPRRRNSA-N	438.911	4.847	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1	408708901	VDLXRCMXGMOELV-CTOFZRSPSA-N	448.954	4.762	50	40	IJGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	408782764	YYUUUCYAKWBQOF-UUASQNMZSA-N	434.279	4.912	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])cc2)cc1	408887012	LDMLDIXTONHSTI-XSFVSMFZSA-N	441.443	4.977	50	40	IJGB	
O=C(OC[C@H]1O[C@H](Cl)C[C]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	1560407496	KLTCVTWIUOWMTD-SJORKVTESA-N	428.675	4.893	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	1031923	QHQTVRABQOPJAV-CVKSISIWSA-N	430.895	4.722	50	40	IJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)c1ccc(Cl)cc1	3320855	VNMRCANVZNVHBP-CVKSISIWSA-N	428.879	4.521	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)c1	8811028	KLUOPWPGUPSICC-JFLMPSFJSA-N	427.504	4.779	50	40	IJGB	
N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057381	PHRKMBWJAXOFGC-GXDHUFHOSA-N	437.795	4.606	50	40	IJGB	
O=C(N/N=C\c1cccc(OCc2ccc(F)cc2)c1)C(F)(F)C(F)(F)C(F)(F)F	100306720	BNAOQXVCERKYJN-WPDGFUPNSA-N	440.290	4.688	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1	408600182	WJNRMQLOVFTTGE-JVWAILMASA-N	431.536	4.942	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC#N	408789978	SYYFJMWNYKOIFO-RCCKNPSSSA-N	439.471	4.722	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)o2)c([N+](=O)[O-])c1	408892389	AXRXHPMNHDTRLJ-SSDVNMTOSA-N	436.449	4.547	50	40	IJGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(I)cc1	409111596	BBLGJMYNWSXZFU-XSFVSMFZSA-N	438.334	4.622	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OC	409191089	ZRQWNYPVXIJCLR-CFRMEGHHSA-N	428.872	4.822	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1OCC	409322622	KEKGSTSDFRNNCM-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3ncccn3)c([N+](=O)[O-])c2)c1	1408100	DMYCCGBIJYTNLS-GZTJUZNOSA-N	431.477	4.699	50	40	IJGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c1C	13174275	IIGJXFMSJSCASQ-QFIPXVFZSA-N	433.533	4.697	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	27532509	NUDOJONHRJASAX-NTEUORMPSA-N	437.795	4.752	50	40	IJGB	
O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc(-c2ccccc2)nc2ccccc12	83328897	MYZJQTICELRTHR-MXAYSNPKSA-N	446.850	4.933	50	40	IJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21	208206433	OFGKDATTZJDFNB-RJACIUSSSA-N	441.575	4.795	50	40	IJGB	
COc1cccc(C(=O)N/N=C\c2cccc(OCc3ccc(Br)cc3)c2)c1	408884003	WJAOZVDXBBWGHT-OYKKKHCWSA-N	439.309	4.801	50	40	IJGB	
CC(/C=N/NC(=O)c1ccc(C(=O)N/N=C/C(C)=C/c2ccccc2)o1)=C\c1ccccc1	8398601	DIJFCQHYJVBWTA-RDVJNFNKSA-N	440.503	4.918	50	40	IJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1	8427226	UUJWJJHVGXGDOP-ORFLIVQWSA-N	431.561	4.967	50	40	IJGB	
CN(NC(=O)c1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1	8763354	SFBAJYZWEZEPDU-UHFFFAOYSA-N	432.299	4.588	50	40	IJGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccc(Br)cc1	16386213	RSDXRFLFSIAMOH-DJKKODMXSA-N	442.176	4.595	50	40	IJGB	
CO[C@@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C)c1ccccc1	20243795	KERCLEFMZKNFCB-JHXRPTDYSA-N	440.341	4.694	50	40	IJGB	
O=[N+]([O-])c1ccc(COc2ccccc2P(=O)(c2ccccc2)c2ccccc2)cc1	98045783	WAILOBCPOPDTLH-UHFFFAOYSA-N	429.412	4.813	50	40	IJGB	
O=C(NC(=S)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102579691	CHOSFVQNGFINMG-UHFFFAOYSA-O	440.528	4.738	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(Br)c1OC	408766823	SIUAFIOGEKMPRW-DHDCSXOGSA-N	443.297	4.605	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1OCc1ccccc1	408970620	JKDIYYMGYQWHAE-CVKSISIWSA-N	430.460	4.793	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	409060238	YPTGHTFKLXVYTC-SFQUDFHCSA-N	447.878	4.609	50	40	IJGB	
Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])n1	409142917	FMNZNBWLZDBGRW-GZTJUZNOSA-N	431.477	4.699	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OC	409310608	BJDFVKDYBFNZCR-MYYYXRDXSA-N	446.931	4.865	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Cl)c2)cc1C	3117076	XHGXVHRIQCJTSA-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)c1OC	6283023	DXEZCZUNTJPLCE-MRXNPFEDSA-N	443.290	4.619	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1	8721607	YVXRLYFPGFTXEX-YYYGAUAXSA-N	447.535	4.754	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2cn3ccsc3n2)c(C)n1-c1cc(Cl)ccc1Cl	9090761	GGMDUVVUHTYVJT-AUEPDCJTSA-N	446.363	4.803	50	40	IJGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1ccc(-c2ccccc2)cc1	12403643	OWDVNUZEUBFHJP-UHFFFAOYSA-N	434.293	4.511	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)cc(C)c1Cl	20096658	PHRKWDZRIVJKRN-MYKKPKGFSA-N	431.323	4.633	50	40	IJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21	208205807	HIFOKQJWIVQSMW-LUILSVGHSA-N	426.542	4.559	50	40	IJGB	
CCN1c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[C@H](C)CC1(C)C	208303582	VYTOHHIWNMRVFT-HUSFYUSLSA-N	440.569	4.949	50	40	IJGB	
N#C/C(=C\c1cc(Br)cc(Br)c1O)C(=O)Nc1ccccc1F	408803139	LPXKZDYDZDEWSS-BJMVGYQFSA-N	440.066	4.602	50	40	IJGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409311050	DUWKGZDWDKKPGR-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCc1cccc2ccccc12	1102952	NTHOFSRQWMUWTC-WYMPLXKRSA-N	442.313	4.582	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc([C@H](C)CC)cc1	10059250	DTIIORDSILVFJJ-LJGKHRNASA-N	433.346	4.890	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1	12312172	VGDGUNWUCLWGCQ-MTDXEUNCSA-N	425.488	4.976	50	40	IJGB	
CN(CC(=O)/C(C#N)=C1/NC(c2ccc(Br)cc2)=CS1)C1CCCCC1	12488908	IUTJHCQFMFFGSA-JZJYNLBNSA-N	432.387	4.653	50	40	IJGB	
N#Cc1ccccc1COc1cccc(/C=N/NC(=O)c2ccccc2Br)c1	20760748	ZRSVJPLEZPGRLI-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c2C)cc1	33655479	SMGTUKLZYVXCNB-ONUIUJJFSA-N	447.539	4.541	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)sc2c1CCCC2	96663464	HIQZOLZBGCPQHF-KAMYIIQDSA-N	446.475	4.951	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1ccc(Br)cc1	408744022	JEGADYQZWOCRSB-QBFSEMIESA-N	437.249	4.953	50	40	IJGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1cccc(I)c1	408780451	YWAGNYOBBQLYDL-YBFXNURJSA-N	444.725	4.577	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408790318	VOHRFWYSLPKVCB-RIYZIHGNSA-N	445.700	4.669	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)cc(Br)c1O	1044512	XMFUHSPEPPFYSQ-ONNFQVAWSA-N	425.641	4.501	50	40	IJGB	
N#C/C(=C\c1ccccc1)C(=O)/N=C1/N=C2C=CC(Br)=CN2Cc2ccccc21	102947647	MBYPKLKLWSLERW-IYUDSKTFSA-N	443.304	4.587	50	40	IJGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408773735	SICUPGYOURDGEI-VFCFBJKWSA-N	427.548	4.798	50	40	IJGB	
Cc1cc(C)nc(Sc2ccc(/C=N\NC(=O)c3cccc(Cl)c3)cc2[N+](=O)[O-])n1	409111444	AOBWDTMCDDZZQN-JJFYIABZSA-N	441.900	4.570	50	40	IJGB	
COc1ccc(CC(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cc1	409161708	ALHQMUFONDKCFK-QRVIBDJDSA-N	427.298	4.719	50	40	IJGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(O)cc1	409219922	RRMKFQLXXTUNJZ-ATVHPVEESA-N	447.878	4.609	50	40	IJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(OC(=O)c4ccccc4)c2)C(C#N)=C(N)O3)cc1	985644	OJNQEYNNNWIJRG-JOCHJYFZSA-N	448.482	4.823	50	40	IJGB	
CC(C)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	2070376	OOSVJZXJPPJRDN-SSDVNMTOSA-N	435.387	4.867	50	40	IJGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1C(F)(F)F	3397299	QFZQPEKUABXPBS-UHFFFAOYSA-N	435.229	4.632	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2cccc3ccccc23)nnc1-c1ccc(C)cc1	9762952	BTQWUBIPBUBMHX-MYYYXRDXSA-N	429.549	4.669	50	40	IJGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/C=C/c1ccc2c(c1)OCO2	13943970	LFHFXEHKNSOKLQ-NABLLQKMSA-N	437.293	4.689	50	40	IJGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	59101456	FSZVJESXGCMTCL-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccccc1	107878989	QGXYSCGESUORDV-UNOMPAQXSA-N	429.432	4.685	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1	408788227	JJOYHEODBRQMEP-DEDYPNTBSA-N	430.435	4.737	50	40	IJGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1CC=C	408857187	NCFBVVKJWACBOL-OYKKKHCWSA-N	437.293	4.700	50	40	IJGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(I)c1	408882759	QPZJOZSWSCSOOA-KPKJPENVSA-N	442.178	4.856	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(Br)cc1OC(C)=O	408977656	JLVVIQKKTGLIPO-RIYZIHGNSA-N	426.270	4.714	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	409237585	ACOZONHGBHBXJG-USHMODERSA-N	443.547	4.882	50	40	IJGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	409368557	BUYWYLQFRQCVRJ-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCc1sc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Cl	4168010	MPFOQHBLKIARAA-LJQANCHMSA-N	426.929	4.793	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4[N+](=O)[O-])CC(=O)N3C2)cc1Cl	12251121	WUUMWBQWCGUZAP-INIZCTEOSA-N	440.912	4.776	50	40	IJGB	
COc1ccc(/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1OC	408581138	GMKISOYKKWJJMV-XSFVSMFZSA-N	435.501	4.844	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Br)c1	408867009	IJKJEPPDAZGBMK-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1ccc([N+](=O)[O-])o1	987228	FBQTWFGLCYHBEF-LJQANCHMSA-N	431.452	4.844	50	40	IJGB	
O=C(Cc1ccccc1)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1	1501710	JFVLBFITLNOTOV-UHFFFAOYSA-N	433.309	4.745	50	40	IJGB	
O=S(=O)(C[C@H](Br)c1ccccc1)C[C@H](Br)c1ccccc1	1592167	DGFZIVSUZAVFBF-HOTGVXAUSA-N	432.177	4.674	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)cc(Cl)c1OCc1ccccc1F	8408111	BYHIYBQZFJONGA-LGJNPRDNSA-N	427.863	4.616	50	40	IJGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1F	408812120	CCQXPTFZHOVTQW-PTNGSMBKSA-N	448.366	4.980	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1	409262702	GMABCSGADKUCRI-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	9204334	IJMIMKWHDGIVNK-AFUMVMLFSA-N	441.300	4.860	50	40	IJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)c1	408891876	DNBJFDZQPSKWMC-WYMPLXKRSA-N	426.973	4.834	50	40	IJGB	
N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1	408993285	VLCVZTRCVARKSO-WYMLVPIESA-N	448.895	4.606	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccccc1	409129204	IZWMOTISRQRIDG-ROUUACIJSA-N	447.343	4.665	50	40	IJGB	
COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1	409368008	PQMIQRXLWBKTLQ-FQEVSTJZSA-N	425.529	4.756	50	40	IJGB	
CC(C)Oc1ccc(Br)cc1[C@@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	679069	LYNQVYBVZMTBAZ-JXFKEZNVSA-N	437.341	4.830	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1F	800754	QBHOSCZHLJUHLB-QHCPKHFHSA-N	434.467	4.618	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057451	CYGCSFSDQRXVPR-FMIVXFBMSA-N	438.783	4.962	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OCc1ccc(F)cc1	35352513	SCFCFSOJAWWPNH-JFLMPSFJSA-N	449.482	4.526	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)N1CCN(c2ccccc2)CC1	59333350	LZQFNMMBWZJABO-NKFKGCMQSA-N	441.506	4.660	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408747359	MVDZDZWLRRRHIF-ODLFYWEKSA-N	433.895	4.669	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Br)c1OCC#N	408792560	KUHNHYWNODNNHP-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408838117	CEQUMKJROXQSBR-WYMPLXKRSA-N	428.275	4.715	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1	409312927	AGCFWEVGEUVPGR-GOSISDBHSA-N	437.590	4.736	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1	9906006	TWEXGEYWUKGBET-VIZOYTHASA-N	438.237	4.762	50	40	IJGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118480	JDJHSNIEYRGQFW-LPYMAVHISA-N	443.288	4.504	50	40	IJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	27015480	HGQMOCUIOFPTLZ-MFKUBSTISA-N	425.448	4.520	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1OC	409320665	QTSZJIRVZCCMDL-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OCCOc1ccccc1OC	4196628	LLQSFIJSWDELRH-NLRVBDNBSA-N	449.507	4.707	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1I	9263108	DSXMZPTVEJLMEO-MHWRWJLKSA-N	446.288	4.852	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1	20765019	WMGVHQOGPHZLIM-CVKSISIWSA-N	442.475	4.760	50	40	IJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1	408897986	JQHRMNZXRWSPAI-LTGZKZEYSA-N	446.528	4.871	50	40	IJGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1	27563538	SETMEKUIMLCLFQ-XQNSMLJCSA-N	438.483	4.791	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)Nc1ccccc1Cl	28215329	HCDLCOIZGNDBBA-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)cc1)C(C)(C)C	408789984	PJAWNDOTINMDKN-NCELDCMTSA-N	443.613	4.852	50	40	IJGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c3ccccc32)o1	409391551	IPLIDRVKIJGLDI-AQTBWJFISA-N	439.471	4.923	50	40	IJGB	
Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)C(C)(C)c3ccc4ccccc4c3)n[nH]2)c1	1637738940	ZCRIJBWXUVZCOE-UHFFFAOYSA-N	426.520	4.586	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3c(C)cc(C)cc3nc2Cl)C(C#N)=C(N)O1	898820	VVXRFLLCKLZKBN-IBGZPJMESA-N	425.916	4.928	50	40	IJGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1	14186360	KFQDGIGTSIPIIG-ASLPFPAGSA-N	447.988	4.602	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(I)c1O	408745071	PDTHYVWHNPNYAN-SDQBBNPISA-N	438.652	4.504	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OCC	408955538	UQAJGENIFNPROV-WQRHYEAKSA-N	437.927	4.885	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1	409042669	NZFQOIKVQDJQHJ-QGOAFFKASA-N	431.879	4.903	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1	409135125	QABMLOITLDWRGC-DEOSSOPVSA-N	447.510	4.533	50	40	IJGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	1433462	XQIGYYFADIQIGD-CVKSISIWSA-N	449.894	4.672	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1OCC(=O)Nc1ccccc1	34719683	RRWPSBLGBXYSSZ-RGEXLXHISA-N	438.487	4.962	50	40	IJGB	
Cc1ccccc1-n1ncc(C(=O)NNc2ccccc2C(F)(F)F)c1C(F)(F)F	40080092	DUFSZMUDMBGXIN-UHFFFAOYSA-N	428.336	4.975	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444739	XBDHYPRQOBEUGN-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)c1ccccc1	408706690	CHUQRHOFVISSLY-IXORVSQSSA-N	438.890	4.550	50	40	IJGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)NN(c1ccccc1)c1ccccc1	408999808	SGGSOTAKHKWTQX-UHFFFAOYSA-N	435.527	4.804	50	40	IJGB	
Cc1[nH]nc2c1[C@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)C(C#N)=C(N)O2	409139603	OKFHEVBOBVGDFR-GOSISDBHSA-N	445.281	4.961	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	409236330	DZFDCRVKAFNYQT-QWQBBLJPSA-N	427.460	4.958	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	409247140	GLNIHLFRHLREPZ-JYBCESJWSA-N	427.504	4.665	50	40	IJGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(F)cc1Cl	650712	WLQHEXOSMKELMG-OAQYLSRUSA-N	438.890	4.925	50	40	IJGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)C(c1ccccc1)c1ccccc1	1298196	ANBBFOBYLYRJLE-UHFFFAOYSA-N	436.511	4.712	50	40	IJGB	
CCOC(=O)C1=C(CSc2ccc(Cl)cc2)OC(N)=C(C#N)[C@@H]1c1ccccc1F	2316495	VGXRXJVGDNSTKV-IBGZPJMESA-N	444.915	4.896	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)o1	9203080	YLNVRNVSHAVHBP-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C	13945626	BDJLYGWTSXHWDZ-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)c1O	408724463	KUGSHNHSCHDHKN-JVWAILMASA-N	440.503	4.634	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC	409053717	ORJLYLYNALOTCN-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1ccccc1	409259095	XKOPWGVHDHAVPN-QGOAFFKASA-N	431.879	4.903	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Br)o2)cc1	921044	CDZJTFWSTQXJGQ-JXMROGBWSA-N	440.091	4.749	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)o1	8842927	OYULSXAYBSFGBB-BRJLIKDPSA-N	431.370	4.875	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	35339509	ZKQVIVPTTLNHRI-BRJLIKDPSA-N	439.512	4.636	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OC	59104307	CRDSYQWLUKJKOA-STZFKDTASA-N	429.520	4.570	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1	408606022	KZUQWEWBBJMMQK-LJQANCHMSA-N	449.938	4.724	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccc(N2CCCC2)cc1	408676196	GVKVDOGANXKOBA-YZSQISJMSA-N	444.491	4.538	50	40	IJGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccccc1Cl	408789471	JLIMKKZFHNHXCA-VZUCSPMQSA-N	425.655	4.656	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	409189616	LPOWJWQZQSKZBV-UYRXBGFRSA-N	435.480	4.538	50	40	IJGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OC(=O)c2ccco2)cc1	13943648	BMVWOELEDKRNQC-WPWMEQJKSA-N	440.455	4.695	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NC2CCCCCCC2)c(C)n1CCC(C)C	14128796	RRQHJWMGDGMLOP-PXLXIMEGSA-N	427.589	4.830	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc(F)c1	408676076	DRCLOFZDHIYMHV-OGLMXYFKSA-N	447.510	4.777	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1	408676931	NRLVWAFCMVLLQA-OVVQPSECSA-N	430.552	4.857	50	40	IJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNc2ccc(Cl)cc2)o1	408692469	NCPHFCKBOUQHSO-LGJNPRDNSA-N	433.899	4.656	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)c1C	409260370	PKEDMXAGCBVSFW-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Br	409319825	MHKKWDCMNHVWNX-UCQKPKSFSA-N	449.345	4.799	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OCc1ccccc1	409360877	FZXSFTINFMGXHM-JFLMPSFJSA-N	437.927	4.880	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(SC)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC	8987904	OVYDENWBLSPUDT-QFIPXVFZSA-N	435.549	4.710	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C)c([N+](=O)[O-])c1	20785165	YZJMPQUPQFMWGC-YZSQISJMSA-N	449.536	4.756	50	40	IJGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(Br)c1	409012347	QQQFJZMBLDAAEB-OYKKKHCWSA-N	441.325	4.920	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1Cl	409050920	DHXKOUOJZJQGAG-FBCYGCLPSA-N	446.526	4.643	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	8721774	USZDYFRQAMHKPH-FOKLQQMPSA-N	427.220	4.797	50	40	IJGB	
O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNc1ccccc1	8819712	ALGZBPMBNSISTJ-MNDPQUGUSA-N	425.579	4.592	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@H]1c1ccc(F)cc1	12276760	MEEJUKUADHOEQI-AWEZNQCLSA-N	449.429	4.555	50	40	IJGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	13765456	ZXVRKASKVVOLGR-WJDWOHSUSA-N	436.464	4.982	50	40	IJGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3cccn3-c3cccc([N+](=O)[O-])c3)o2)cc1	20608280	MDYATDDZOJMQDT-MFKUBSTISA-N	444.447	4.630	50	40	IJGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	59473627	VEGMFJZICIMHLS-SSDVNMTOSA-N	429.885	4.892	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)o1	108113501	RKFXEGBBLJKFDS-WQRHYEAKSA-N	446.459	4.728	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1	408819113	WTBDORXQLOJLAM-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)cc(C)c1OCc1ccc(Br)cc1	408856146	IMRLBMINIKBWIH-BRJLIKDPSA-N	438.325	4.804	50	40	IJGB	
N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc(-c2cc3ccccc3oc2=O)cs1	1300249	WVGAKMZIBVJTIA-NTCAYCPXSA-N	429.457	4.664	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1	1814584	VFQPWYLRCAZCGX-ZMOGYAJESA-N	441.988	4.984	50	40	IJGB	
O=C(N/N=C/c1ccccc1Br)c1nc(-c2ccccc2)n2c1CCCCC2	6017336	DHZWYHUGLWRKFB-BUVRLJJBSA-N	437.341	4.803	50	40	IJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)c1	16736013	QYLHYJLURMCCPM-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	58912652	YKBJBQHPPCAPAF-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OC	408766111	OVYVJDNVZZSDSB-ZSOIEALJSA-N	445.700	4.669	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c([N+](=O)[O-])c1	408990706	YGDHFFQTJQGQAD-VZUCSPMQSA-N	436.649	4.570	50	40	IJGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Br)c1C	409385867	KPTDZDPBMXKSRC-UNOMPAQXSA-N	437.341	4.952	50	40	IJGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1O	6089715	LBJBRBCMOZXRBU-KRWDZBQOSA-N	441.940	4.664	50	40	IJGB	
C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2Cl)cc1	8399351	XIYVPRKDFRPREQ-YRQCHPQVSA-N	439.899	4.801	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1Br	9057410	UZXDLVBBZFPQAB-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)c(C)c1	20194892	RRZRKZWQKDWNDL-LQKURTRISA-N	445.563	4.969	50	40	IJGB	
CCOC(=O)/C(CC(=O)c1ccc(Cl)cc1)=N/NC(=O)c1ccc(-c2ccccc2)cc1	59489093	SWZRIZNYPKPSCQ-HPNDGRJYSA-N	448.906	4.929	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC	408760981	BJAKJYQBDRTLEK-ZVBGSRNCSA-N	446.128	4.927	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)c1	409271822	NOUXIXUUMWGFBT-KGENOOAVSA-N	425.488	4.867	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1C	621935	STNYELDWIUTYMA-HSZRJFAPSA-N	428.536	4.767	50	40	IJGB	
O=C(CCCCCCCCC(=O)N/N=C/c1ccc(F)cc1)N/N=C/c1ccc(F)cc1	8756580	MBAYKYNITYAXIA-XUIWWLCJSA-N	442.510	4.686	50	40	IJGB	
O=C(/C=C/c1cccc2ccccc12)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1	9425658	BJIOMWZECOJSQO-OBGWFSINSA-N	441.531	4.833	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)c1	14134356	DCSBRDLPTLUJKW-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C(=O)O)c1	33401953	TUNWUGMSCCUJJL-JMIUGGIZSA-N	430.416	4.945	50	40	IJGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	100377382	MRCJFALIWMVDDH-NFUMRCFGSA-N	446.301	4.894	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC)c(OCC)c2)c1	408763487	SJQBXQLAOIDHKE-OQLLNIDSSA-N	445.313	4.801	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)c(C)c1	409074956	VPRYQWZLIHITMD-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
Cc1ccccc1OCCCn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21	409198970	GKOPTUTWCCKNJC-HWYOBBEWSA-N	443.547	4.621	50	40	IJGB	
Cc1cccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3)cccc2[N+](=O)[O-])c1	409224628	LJNPBOKGZOBWAO-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1	409311418	FZWJQWGLSASFIA-IBGZPJMESA-N	437.590	4.736	50	40	IJGB	
COc1ccc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1Br	30840575	HOPVTTIZIACHAE-OYKKKHCWSA-N	439.309	4.654	50	40	IJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc(Br)cc1	83315160	MMFCNJXVMCCWOS-QFEZKATASA-N	441.300	4.860	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1Br	408567334	LVFAWEUXIDNLFB-NHDPSOOVSA-N	428.242	4.690	50	40	IJGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1	408954713	SIMQVASHWJFNGA-UNOMPAQXSA-N	439.471	4.700	50	40	IJGB	
N#C[C@H](C(=O)N/N=C/c1ccc(OCCOc2ccccc2Cl)cc1)c1ccccc1	409204406	GUPXNLNHJBBQIC-XLKFHUSGSA-N	433.895	4.555	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1	409266079	OMBKSJBPBGHMGD-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2	705899	ZQNJDPYCCVLNAB-RUZDIDTESA-N	434.499	4.978	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	14923631	GSNAVPGEVQJDLF-LSFURLLWSA-N	443.674	4.690	50	40	IJGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2	25329401	LTULWGORJRATME-LDADJPATSA-N	434.952	4.900	50	40	IJGB	
COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	108025416	RNJAQSBCODBKBX-XMHGGMMESA-N	429.432	4.685	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2F)c1	108260851	LVUIRHUELYTVJN-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1cc(OC)ccc1OC	408797056	FOTFUFORENSALO-DAQNXSASSA-N	438.524	4.503	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1	409157867	WCGAJMKZVAVWRT-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1Cl	408827120	KHCUDJQSQLTBPG-RIYZIHGNSA-N	431.275	4.568	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1F	408895561	LFDFFYHXZZTFIY-LDADJPATSA-N	446.434	4.657	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1OC	409312496	LUHWIVYYQCEHSU-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1OC	409364714	OWFDSNOZDJXEKF-WYMPLXKRSA-N	433.291	4.963	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccccc1F	9693131	OSYSOGDHBXTPOV-INIZCTEOSA-N	444.329	4.808	50	40	IJGB	
O=C(N/N=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	26842204	HHHQPLBBAVIERK-QFEZKATASA-N	445.866	4.865	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1	59297237	PVYTVWLOPYCINS-MTJSOVHGSA-N	446.478	4.645	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(OCC)c(Cl)c2)c(C#N)c1C	408547458	XAWURLSMLHRETB-OVCLIPMQSA-N	442.924	4.876	50	40	IJGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)c(Cl)c1	408899220	OEAAWQGQHGEMNM-YDZHTSKRSA-N	449.315	4.525	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)cc1Cl	409009734	BPOXICLLJKFBRH-MIDUAYCOSA-N	445.859	4.944	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c1C	409047462	MQUFBRFFKJDPAN-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	20240400	VTSRGTAVODMRCB-BYNJWEBRSA-N	440.591	4.747	50	40	IJGB	
COc1ccc(C(=O)N/N=C2\CCN[C@H]3CCCC[C@H]23)cc1COc1ccccc1Cl	33796092	MDTKETGJOMDZSA-QPICMLBGSA-N	441.959	4.566	50	40	IJGB	
COc1cc(C)ccc1C(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C	409001514	WJHIHOTVIALCAH-VYYCAZPPSA-N	446.576	4.987	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2	2670696	ZRMGYWLPGWARAM-JMRXEAOASA-N	439.493	4.503	50	40	IJGB	
O=C(Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21)Nc1ccccc1	9543182	UGHAJCHLIOJIKY-DICXZTSXSA-N	436.471	4.790	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1	16411183	BSOKTSIPCJZQJC-HMMYKYKNSA-N	441.487	4.648	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12	408542732	KTXLRJBBAFBGQR-ATVHPVEESA-N	425.444	4.835	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OC(=O)c1cccc(F)c1	408890516	UZIOVANEEVBHRP-LQKURTRISA-N	442.446	4.971	50	40	IJGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	408998697	BTPYGUTYQDGOIK-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409392483	PQUBYFKEPMNGPK-QPEQYQDCSA-N	428.286	4.805	50	40	IJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)c1	20345267	JUKYUAUMRZNTQT-SSDVNMTOSA-N	434.403	4.515	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(C)cc1	59334671	PLGLOWRYNALIMF-ZDLGFXPLSA-N	443.341	4.730	50	40	IJGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C	67192526	VIDADJDRXRGUHW-BHGWPJFGSA-N	441.871	4.963	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Br)cc1OCC#N	408795918	NQZHFCOPQPAWAX-NTUHNPAUSA-N	446.688	4.559	50	40	IJGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O	408806138	AMIIZLBVODPKAT-WHHCHZNCSA-N	442.151	4.519	50	40	IJGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC	409050860	BLZPSRHHCFSPGG-FSJBWODESA-N	449.732	4.586	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2cccc(C)c2)cc1	409217756	BDRVBYDQVJBQQA-WGARJPEWSA-N	449.894	4.590	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OCc1ccccc1	409228748	DNPDPECOKWSXHN-ULJHMMPZSA-N	426.516	4.930	50	40	IJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1	6146039	KTSLNDWSBLVWSV-HZHRSRAPSA-N	441.578	4.610	50	40	IJGB	
CCCOc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(OCCC)c1	12649114	HEVVOEBLIZREJI-MZJWZYIUSA-N	437.462	4.845	50	40	IJGB	
O=C(N/N=C/c1cccc(Br)c1)c1cccc(NC(=O)c2ccccc2F)c1	14923478	ANOPMUQNLGQWNJ-ZMOGYAJESA-N	440.272	4.604	50	40	IJGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	15145760	ILKALSLWNHHUCY-SRZZPIQSSA-N	438.490	4.707	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(O)(c1ccccc1)c1ccccc1	33388015	IKUOVUVJCTWMGA-PKAZHMFMSA-N	430.891	4.986	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)cc1	408752272	CTCRYOUKZSOBMQ-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	408882548	OZNLBDMTAWCJEF-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)o1	409238913	OJANFDLCOVZPCS-JXAWBTAJSA-N	431.448	4.519	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	2356878	VPHMFCMZQMINAN-AUEPDCJTSA-N	448.262	4.999	50	40	IJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1ccc(F)cc1	9553535	CDAFPIWMDVOIAJ-CPNJWEJPSA-N	446.434	4.657	50	40	IJGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)NCc1cccnc1	26966292	BGITWBBRXWZLAH-DEDYPNTBSA-N	439.906	4.811	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cccc(C(=O)O)c2C)o1	35104683	LERYLUNQKMIQJF-VULFUBBASA-N	428.444	4.879	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	408790182	USSWKNMUFVKVCH-VIZOYTHASA-N	433.291	4.708	50	40	IJGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)cc2)c1	408808505	JEHPSFQIYTZAFS-JUIBXWIASA-N	434.536	4.885	50	40	IJGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1OC	409365025	PRHCXBOBDUIKTJ-YSMPRRRNSA-N	438.911	4.629	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)sc(C)c1C	1453433	PMZKTLVAFFFQPM-NTUHNPAUSA-N	449.326	4.555	50	40	IJGB	
COc1cc(OC)c([C@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	9008594	PMUOFPWAARLTGP-QDOIMOTRSA-N	446.551	4.578	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1	59334804	DQTJKQTWCPJWDN-UNOMPAQXSA-N	425.326	4.752	50	40	IJGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccccc1F	226335534	SRXGCEBELYLJNW-VOTSOKGWSA-N	446.643	4.797	50	40	IJGB	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@H](CCC3(C)OCCO3)C=C(O[Si](C)(C)C(C)(C)C)C[C@H]12	263611036	WTFFTYNTJQXAIA-URLDNKFUSA-N	436.665	4.968	50	40	IJGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1F	408748458	AMRXEBFSSJSCRZ-MIXAMLLLSA-N	441.506	4.619	50	40	IJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1Br	408801388	AJQDQERKDULPKO-LFIBNONCSA-N	427.298	4.877	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(Br)c1)c1ccc(F)cc1	3089801	MREQWVYNXQBCFS-ZMOGYAJESA-N	440.272	4.604	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	9614414	JVOQFNTXJLIMRX-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)COc2ccccc2)c1C	20243704	JYBYCCPWZFCZND-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
CCOc1cc(Cl)c(Cl)c(/C=N\NC(=O)COc2ccc(Cl)cc2C)c1O	67196992	NMIYFNNGINWAFY-UYOCIXKTSA-N	431.703	4.589	50	40	IJGB	
O=C(NNC(=O)c1sccc1-c1ccc(F)cc1)c1ccc(F)cc1Br	84419546	XJGCFZMKPPVQNN-UHFFFAOYSA-N	437.265	4.531	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	408738029	MAKUXHIWOGBKLI-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
O=C(CNc1ccccc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409387316	PTYNVDLWURDMEZ-AFUMVMLFSA-N	438.325	4.590	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(N/N=C(\C)c3ccc(OC)cc3)cc2)cc1	12571324	MPHTYFWWYSGCFX-HEPXYTLMSA-N	430.508	4.694	50	40	IJGB	
COc1ccc(C2=CS/C(=C(\C#N)C(=O)c3cc([N+](=O)[O-])ccc3Cl)N2)cc1OC	12590385	RNTPSNYNPYRNLH-XSFVSMFZSA-N	443.868	4.518	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)cc1	33401111	LCMWPQPKMHYRTA-RGEXLXHISA-N	429.451	4.697	50	40	IJGB	
COc1ccc(C2=C(C#N)C(=N)N(c3ccc(Br)cc3)C(=C(C#N)C#N)C2)cc1	100955210	UNURJAJDOBVXBX-UHFFFAOYSA-N	444.292	4.924	50	40	IJGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1OCc1ccccc1	408531868	OWPJVIVMJXMOBI-CCVNUDIWSA-N	427.426	4.847	50	40	IJGB	
Cc1cccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c1	408570436	VAKBVZBMVPAZEH-BUVRLJJBSA-N	437.590	4.793	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1	408766113	ZMYQGLKJUKSLJY-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
CCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1OCC	408837349	CSYHZHIZUCCNOS-FSJBWODESA-N	425.312	4.710	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)ccc1OC(=O)c1ccccc1	408887057	NOSPIFIYFPYGCV-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c([N+](=O)[O-])c1	408890309	RENMRZYXSVVFBK-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc([N+](=O)[O-])cc1	408965643	WTKPCLMYFGFFHZ-ROTLSHHCSA-N	430.386	4.785	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1	409206822	LSUSHYUTWMYWCB-YBFXNURJSA-N	433.895	4.700	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)c(O)c1	3664958	QSFGGRVZRGWOFA-ZVHZXABRSA-N	438.355	4.855	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)cc1	8842868	UPDXXLDIHPORPO-ZHZULCJRSA-N	429.476	4.737	50	40	IJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)c1ccccc1	20241306	CIPBPVNTZAQHEA-JHXRPTDYSA-N	440.341	4.694	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	33787706	GGGWOBSXMSRISP-AFUMVMLFSA-N	445.431	4.789	50	40	IJGB	
O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)Nc1ccc(Cl)cc1	96400865	JLMWIWVRZYVAMU-NESOBDLWSA-N	436.943	4.911	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cccc(Br)c3)c2C)cc1	409199148	BPKISAGDKRFRLS-QRVIBDJDSA-N	426.314	4.629	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)c2nc3ccc(OC)cc3[nH]2)cc1Cl	9263565	MSDMDIKAOBFNKU-AWNIVKPZSA-N	446.290	4.884	50	40	IJGB	
C[C@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	408794449	ILNIIYOVVJTRTQ-CQHJRZBDSA-N	443.478	4.628	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)cc1C	409120685	RTNWPJJJJYJIDL-QFEZKATASA-N	434.521	4.925	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2C)cc1	409273322	XCLGDIFVSFYOSI-QNGOZBTKSA-N	425.488	4.867	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1cn(Cc3c(F)cccc3Cl)c3ccccc13)C(C#N)=C(N)O2	9010460	UTKPZFHSHKCUFH-OAQYLSRUSA-N	433.874	4.732	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OC)c(OCC)c2)cc1	207052970	YBGGGMZKWUZBLN-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)c1	207154849	LFAMLTGRDDLCBN-HAHDFKILSA-N	449.510	4.700	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1	408962641	ITPSYVUEOFWDFS-LGJNPRDNSA-N	430.382	4.906	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1	409178829	PCHOXOBUQDLJJN-MFKUBSTISA-N	429.432	4.709	50	40	IJGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)c1	409260766	WBAMXIDCGSAVNW-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccs1	9446725	VLXIWFMBVLDIMD-JLCFBVMHSA-N	438.512	4.800	50	40	IJGB	
CCc1c/c(=N\NC(=O)[C@@H](N)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	13570923	JPIWFDFCUHIWCL-WBWFXSCKSA-N	445.563	4.655	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2ccccc2cc1OC	33795174	DXGIDEBKCFRVDQ-YDZHTSKRSA-N	427.298	4.774	50	40	IJGB	
COc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)cc1OC	257352025	IONBJZXZEQWLEE-JWOSDPRPSA-N	434.399	4.832	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1OC	408809050	GKLUZURVTMTBLW-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408871518	GZULXERZOCIMLP-OVCLIPMQSA-N	432.261	4.544	50	40	IJGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc(Br)c2)c1	408995761	DONXBPBKAOVDGK-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1ccc(O)cc1	409076572	BMXARCXBCQLCLG-GDNBJRDFSA-N	446.375	4.547	50	40	IJGB	
Cc1ccnc(Sc2oc(/C=C(\C#N)C(=O)NC3CCCCC3)cc2Br)n1	409274801	YCSJAZOBTGOFJB-UKTHLTGXSA-N	447.358	4.648	50	40	IJGB	
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)C(Cl)Cl)c1Sc1ccc(Cl)cc1	3052435	SCTKQKLAOKODJX-AERZKKPOSA-N	446.665	4.924	50	40	IJGB	
O=C(N/N=C\c1ccc(Br)s1)c1cc2cc(Br)ccc2o1	8437023	QCBMVOXAOLZJEG-IDUWFGFVSA-N	428.105	4.783	50	40	IJGB	
COc1cc(/C=N/NC(=O)NC2CCCCC2)cc(Cl)c1OCCOc1ccccc1	9057125	LXRQYUSEJRTWLU-PCLIKHOPSA-N	445.947	4.772	50	40	IJGB	
Cc1noc(C)c1CCC(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	14241296	CNKSOSBJMZYCQS-UHFFFAOYSA-N	443.956	4.631	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)cc(Cl)c1OCc1ccc(Cl)cc1	14408885	VHYPWVCLMSMJLV-RPPGKUMJSA-N	444.318	4.927	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2C#N)cc1	20764543	TVXWGMVLBMTSSB-JFLMPSFJSA-N	433.895	4.953	50	40	IJGB	
N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@H]1c1c(F)cccc1Cl	38680262	ACXGIANIRGARME-GOSISDBHSA-N	426.856	4.978	50	40	IJGB	
O=C1OC[C@H]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)/C1=C\c1ccccc1	104381717	RPJPEHMEPRADSV-KYERJPCBSA-N	436.491	4.722	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)O	408788201	JAKQMIDOOAJAQK-MKMNVTDBSA-N	449.290	4.710	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC	408809805	JIIZDBIIRHJOGT-ZROIWOOFSA-N	433.277	4.931	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	408892497	BXGRKKKHUSXGMP-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)NCc1ccccc1	409259971	INBBCQAJFZEAKA-DEDYPNTBSA-N	445.906	4.581	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)c1C	409264641	QNUZDMVGTYSBBX-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)cc1	409266602	QIWZXNQQVZFKIX-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3CC)=C2C#N)cc1	409309350	FXHRWZDRPWVWEX-HXUWFJFHSA-N	449.576	4.667	50	40	IJGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(CSc2nc3ccccc3s2)cc1	3220040	QHDVDTWIPHWNEE-FSJBWODESA-N	435.530	4.764	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2ccc(Cl)cc2)cc1Br	20244002	XCIGHQUXYNCKFA-CIAFOILYSA-N	441.778	4.885	50	40	IJGB	
O=C(N/N=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(Cl)cc1	30817633	AWHXGNWCMKLIRV-UUYOSTAYSA-N	440.799	4.713	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1cccs1	34366976	ARAWUOJTOJIBJC-FMCGGJTJSA-N	428.897	4.702	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl	58912930	YPGPEECYFJUGSN-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(-c2ccccc2)cc1	59489075	RVGIOAPVAWJGLS-VAWYXSNFSA-N	448.338	4.894	50	40	IJGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408708352	PILXBKOBYFEIHM-VULFUBBASA-N	438.890	4.874	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	408791894	DYJNQEKDJSKZIN-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
COc1ccc(N2C[C@@H](C(=O)N/N=C\c3c4ccccc4cc4ccccc34)CC2=O)cc1	409158362	XXRXGTVMKBPOSV-SGTHAQTGSA-N	437.499	4.505	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC	1242899	SVONFXSJLLGGQL-WYMPLXKRSA-N	433.291	4.963	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(=O)c1ccc(C)cc1	2078244	LWIPKFCFJKWCSX-JVWAILMASA-N	446.503	4.694	50	40	IJGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	9409333	SDVPTHQOULSKQH-LJQANCHMSA-N	425.941	4.958	50	40	IJGB	
C/C(=N\NC(=O)c1ccco1)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1	19630717	ZGHVSTULTOWMPM-KSXCTLEASA-N	439.899	4.801	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCCC)c(OC)c2)cc1	20197945	MYCIQOMDBVRHMY-OEAKJJBVSA-N	449.345	4.799	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1	20764445	WBQQNTOTSOKIMS-ZMOGYAJESA-N	440.887	4.818	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccccc1Br	59249687	DZNIWCRIGRKYAS-CIAFOILYSA-N	447.130	4.766	50	40	IJGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	96839675	KPJYYIYNHUOMAE-OAQYLSRUSA-N	435.505	4.929	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OCC	409149773	QLBYQBSXUWDADO-FOKLQQMPSA-N	425.699	4.821	50	40	IJGB	
CCCCOc1ccc([C@@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)cc1OC	17143664	YPGMZSCTWGZVKS-JOCHJYFZSA-N	448.519	4.656	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)CSc1ccc(Cl)cc1	40961733	RXDBOQASMAEQDS-KEBDBYFISA-N	427.751	4.744	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1	408708995	WCTRJVXYOWETSD-JPMRSZNZSA-N	426.948	4.537	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(O)c(I)c1	408794277	HXOMUJLUEYWQGT-WUXMJOGZSA-N	438.652	4.504	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C)cc3)c2)cc1	408936951	LMTDSYPTDLSLMY-HMAPJEAMSA-N	426.472	4.906	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409004846	FLXIEMFMIGGNQE-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@H]1c1cccs1	409145405	HZHFOTATWDTDPC-SNVBAGLBSA-N	438.361	4.765	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1OCc1ccc(Br)cc1	9296280	NXOXYOJIVGEBPP-QFIPXVFZSA-N	449.304	4.952	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3)c2C)cc1	20243702	QESLGQWKSGPMRS-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3C)c2C)cc1	20243858	HVBCUEIVLRTQKO-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1	23723818	NLAWCQKMTFKORR-NGNZWAJUSA-N	449.507	4.784	50	40	IJGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)cc2)cc1	83301769	FEKFWOVNDGAJRF-CUVDRZIWSA-N	446.547	4.937	50	40	IJGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	100182374	JGZLWBWLHFZSFN-NFUMRCFGSA-N	446.301	4.894	50	40	IJGB	
C=CCn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21	408569642	PAJVKCCPHRCYBC-ZVHZXABRSA-N	437.590	4.835	50	40	IJGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)O)c1	408926751	YCUZTEZZTUGFCT-LDADJPATSA-N	446.846	4.803	50	40	IJGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	409072181	MHAQXUYGMKADFD-LTGZKZEYSA-N	430.504	4.770	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)c1C	409257356	SFKVJHIPXPDSLQ-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccccc1	1954176	DULJJUCOWWJCBX-AFUMVMLFSA-N	438.325	4.590	50	40	IJGB	
COc1ccccc1OCCn1cc(/C=N/NC(=O)Nc2ccccc2)c2ccccc21	9553443	QOCCHDWYMWUMMI-YZSQISJMSA-N	428.492	4.885	50	40	IJGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1	32124636	WSQYSEPCCQQMCL-XKZIYDEJSA-N	436.449	4.727	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCCOc1ccc(Cl)cc1	409205609	IPMABQMCJCBGCF-BUVRLJJBSA-N	444.940	4.561	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1	409257365	OFQJGDSIQKMSHF-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
CSc1nc(NNC(=O)c2ccccc2Cl)c2c3c(sc2n1)COC(C)(C)C3	2235723	LBWDSCHLJSDJMK-UHFFFAOYSA-N	434.974	4.675	50	40	IJGB	
COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c1	32576916	DQIJRSDHNAJQOG-YSMPRRRNSA-N	444.560	4.644	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1O[C@@H](C)C(=O)N(C)C	32811722	FKCKZGDBZHCNCU-AMRJIULGSA-N	445.519	4.520	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1	58913713	PTMNGXDWLSVHAI-JFLMPSFJSA-N	444.922	4.990	50	40	IJGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CCCC2=O	409140446	FGKIUAMBYFPDDS-JOCHJYFZSA-N	437.902	4.788	50	40	IJGB	
O=C(O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1	409189206	FSHAFNCVWROGMX-LGJNPRDNSA-N	431.879	4.805	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccc1C(=O)O	409209120	FXOOANABXLRTSN-JVWAILMASA-N	425.488	4.638	50	40	IJGB	
CN(C)C[C@@H](C(=O)c1ccc(Br)cc1)[C@@H](Br)c1ccccc1	1754542	VXHCUAYTNFNEFS-SJORKVTESA-N	425.164	4.946	50	40	IJGB	
C/C(=N/NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1)c1ccc(Br)cc1	13712805	FNMYNYCHPVAVJM-CFRMEGHHSA-N	441.373	4.794	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)c(Cl)c1	41078021	LAICKNROTWNLNH-BRJLIKDPSA-N	430.291	4.740	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1C	58913179	ARLCNYGAWUZLNM-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
CCCC/C(C)=N/NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1	408729040	XDOJZVQIAJFRFK-XQNSMLJCSA-N	435.977	4.602	50	40	IJGB	
C/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(OCc2ccccc2Cl)cc1	408737792	XPPSUVCISGLSJJ-XYGWBWBKSA-N	437.883	4.910	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1	409186216	YZXCMSLGJQUPNP-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c(O)c1	409391793	LIMHZGFYEUZTIL-JVWAILMASA-N	426.472	4.897	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)c1	9311083	HFHWPEZWNCPNBE-ZMOGYAJESA-N	436.537	4.862	50	40	IJGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)c1	9428368	OIJWSBFCLAHJRX-QFIPXVFZSA-N	444.491	4.544	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2cccs2)ccc1OC(=O)c1ccccc1Cl	30738401	RZGOPJWTZSCPKR-OYKKKHCWSA-N	442.924	4.712	50	40	IJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1	59104734	BSAQXEPTBICVLT-MOSHPQCFSA-N	428.444	4.518	50	40	IJGB	
O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	107565557	KWLQWACMUMELLX-WYMPLXKRSA-N	428.275	4.715	50	40	IJGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(Cl)cc2)CCOCC1	225579485	CZVKZPGKBCMZFE-UHFFFAOYSA-N	438.749	4.801	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)c(OC)c1	408732941	BJYQBQSKTCCNLD-MZJWZYIUSA-N	429.520	4.605	50	40	IJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC	408803672	RVTZTCCLEOBIEC-GZTJUZNOSA-N	442.899	4.860	50	40	IJGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O	408806132	AMIIZLBVODPKAT-GEJDLCSGSA-N	442.151	4.519	50	40	IJGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3nc(Nc4ccccc4)sc23)[C@@H]1c1ccc(Cl)cc1	664180	PKUYKMZDPKDIOD-OAHLLOKOSA-N	447.907	4.600	50	40	IJGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2[nH]1	8590278	RPKCVDBHCKXICI-SAPNQHFASA-N	449.470	4.744	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1Cl	13923176	LAAZHMXORYYPQE-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
Cc1nc(N2CCC(NC(=O)CCCC[C@@H]3CCSS3)CC2)cc(C(F)(F)F)n1	225725954	UUFDYOHXLIRQNG-OAHLLOKOSA-N	448.580	4.603	50	40	IJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408676460	IYPZLIYPCNCMOW-JZCUADNKSA-N	429.948	4.890	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OCC	408726847	VLRKVOQMKHAXSC-WJDWOHSUSA-N	427.298	4.958	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccc(F)cc1	408942007	RDNWXRMHZDVOGK-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)n1	409229378	OEQUUYFIPORTDM-BHGWPJFGSA-N	441.988	4.705	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)Cc3ccccc3)ccc21	9805309	BLZJGPDWVNSELZ-MTDXEUNCSA-N	426.520	4.878	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc([N+](=O)[O-])cc1	15912333	IVJCWXOOYJNGNX-WPWMEQJKSA-N	440.459	4.876	50	40	IJGB	
Cc1ccccc1Cn1cc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc21	20418676	UYIXQIAQWIRBOV-LPYMAVHISA-N	449.510	4.950	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc(C)c1Cl	30937423	XXNQCWKPDWFKNY-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccccc2)c1)Nc1ccc(Cl)c(Cl)c1	408549953	AASZVUIRDNWIII-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)c1	408777690	GCEDXQLBQVXITR-QJOMJCCJSA-N	440.547	4.785	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)cc1	408959963	BCRXQLVJRGDBQL-ZMOGYAJESA-N	447.403	4.542	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc(C(=O)OC(C)C)c2)o1	409168276	MDENMROCZIREFK-VULFUBBASA-N	434.492	4.658	50	40	IJGB	
O=C(CSCc1ccc(Br)cc1)N/N=C/c1ccc(Br)cc1	3150680	ADNLJWIBHYANRO-DJKKODMXSA-N	442.176	4.595	50	40	IJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)cc1	10059244	CQICXCDVBKVFRO-PRKRMSOHSA-N	446.503	4.941	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)c2C)cc1	408757961	FAKJPQGIVLGDRD-WTUMRCCPSA-N	434.547	4.864	50	40	IJGB	
N#C/C(=C/c1c[nH]c2ccc(Br)cc12)C(=O)NCCc1c[nH]c2ccccc12	408956795	YMYSLZNVUQTGAW-DHDCSXOGSA-N	433.309	4.678	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	409130225	MEONYMHJTBAWNR-JOCHJYFZSA-N	449.850	4.751	50	40	IJGB	
N#CC(C(=O)COC(=O)CSc1cccc2cccc(Cl)c12)=C1Nc2ccccc2N1	3279289	FJHLNIPWGAIOLS-UHFFFAOYSA-N	449.919	4.970	50	40	IJGB	
CCCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(CC)CC)cc2)C(C#N)=C(N)O3)cc1	9245775	ZIACYMHZTYRKNW-QFIPXVFZSA-N	443.551	4.930	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	19596472	BMOVDMOISGHGEX-XNTDXEJSSA-N	445.313	4.888	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)c(C)c1	20194889	QIGRQOPBOBTPEL-LQKURTRISA-N	445.563	4.969	50	40	IJGB	
COc1cccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1	59472639	KJOCSMKOXWPKCD-FVDSYPCUSA-N	435.483	4.529	50	40	IJGB	
O=C(Br)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95681820	KQMDGCKMRBEXNN-UHFFFAOYSA-N	426.954	4.647	50	40	IJGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1	225506271	AKQLPLISMLCSJZ-UHFFFAOYSA-N	433.302	4.819	50	40	IJGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	409097474	IQNXFHQRQMWXGE-BOPFTXTBSA-N	425.916	4.812	50	40	IJGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C2=C1CCCC2=O	409140211	GHTWMNWPAJDGPU-QFIPXVFZSA-N	437.902	4.788	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2)cc1	409224139	KUMTWCJTAVBFGJ-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)NCCCc1ccccc1	409240351	SUONKXGSLDVBJI-KQWNVCNZSA-N	441.487	4.830	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)c(OC)c1	9693160	HHFTUTLMKLEWFE-INIZCTEOSA-N	441.940	4.577	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1	20197676	NNCUWARTOMRTFQ-WGOQTCKBSA-N	428.492	4.993	50	40	IJGB	
N#Cc1cccc(COc2cccc(/C=N/NC(=O)c3ccccc3Br)c2)c1	20760758	YDTPOXBODCQBGU-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(F)cc1	33587240	LPDULGUBLXXTES-ODLFYWEKSA-N	446.434	4.657	50	40	IJGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)C(N)=O	207054495	RGHKTEHMDDKIDX-WUXMJOGZSA-N	426.097	4.727	50	40	IJGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=Cc1ccccc1OCc1ccccc1	254696009	DIJLUMVKTREXSL-UHFFFAOYSA-N	435.505	4.557	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)cc1C	408741785	RZMKZLMZIDMFKM-ZMOGYAJESA-N	436.537	4.862	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1	408753175	DZARPAWKCWBUTA-NBVRZTHBSA-N	427.416	4.668	50	40	IJGB	
CC(C)c1cc(/C=N/NC(=O)COc2ccc(Br)cc2)cc(C(C)C)c1O	408851567	LGIXPJGHVQZXGQ-FOKLQQMPSA-N	433.346	4.931	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OC	409330885	BTMLVTPKIWUPFX-YUMHPJSZSA-N	448.519	4.754	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccncc3)c2C)cc1C	1098386	UYEDTKSEYMUYFS-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(C)cc1	2128409	YTDWGICCYHLWCG-RUZDIDTESA-N	442.471	4.530	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1	3628354	MNLHCBRDGGHFHT-VWLOTQADSA-N	442.471	4.611	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c2C)cc1	20194823	FPODOQFVGWDEFC-JVWAILMASA-N	431.536	4.580	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(Br)cc1	59303267	OHRPQKYRTWUXFA-LCYFTJDESA-N	438.119	4.705	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444671	UQSJPRHCLYLGRQ-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
N#C/C(=C\c1cc(Br)ccc1OCC(N)=O)c1ccc(Cl)cc1Cl	408580335	ONIUKVSRLIFCFV-VZUCSPMQSA-N	426.097	4.684	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)c1	409185405	YNOGAFIWRFEWFL-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1Cl	409198696	JVAALELPKIMRQH-QDCCHXAWSA-N	433.895	4.685	50	40	IJGB	
COc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	409369504	PIWPATQENFWZOJ-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NNC(=O)c1ccccc1	2669565	LKLXEDOPWFKDHN-GXDHUFHOSA-N	426.259	4.622	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1C	16268572	DRZWKEGEQYXIGQ-UYRXBGFRSA-N	431.467	4.874	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc(Cl)c(Cl)c1	28217080	VJIAYMRLZSGDKG-ZPBGBCLFSA-N	444.318	4.691	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(I)o1)c1nc2ccccc2[nH]1	33629146	FAOILYXWVMKRBZ-YVMONPNESA-N	440.038	4.587	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1cccc(C(=O)O)c1	33666480	HJCPYBPOERJARU-NHDPSOOVSA-N	429.428	4.735	50	40	IJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1OC	33735866	ZQPWEGIGTXUAAS-DOQYOOLYSA-N	425.312	4.708	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	58912659	ALZXKDTZFISUSW-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccc(Br)cc12)C(=O)NC1CC1	59087235	PTHUDZPNRAVFMF-OQLLNIDSSA-N	438.300	4.777	50	40	IJGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(C)cc3)c3ccccc32)c1	408543588	OZPHCUTWQDAUTF-JFLMPSFJSA-N	425.488	4.549	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(C)=O)o2)cc1	408759775	LIIRTLZECRPIGC-RGEXLXHISA-N	428.444	4.872	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1cccc(F)c1	408890650	XDRDLHDYNCTDHO-XDHOZWIPSA-N	430.435	4.908	50	40	IJGB	
O=C(N/N=C/c1cccc(F)c1)c1ccc(OCc2ccc(Br)cc2)cc1	408953876	QHCPPXPSXOGEPC-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC=C)c(Cl)c2)cc1OC	409337076	WNEABTQNHFLERN-CFRMEGHHSA-N	435.307	4.896	50	40	IJGB	
C#CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC	409051571	BHTWMIXPNDYJKL-FSJBWODESA-N	449.732	4.586	50	40	IJGB	
COc1ccc(-c2csc(N(CCc3ccc(OC)c(OC)c3)C(=O)CCl)n2)cc1	929185	PYDXNRNFMFBKRD-UHFFFAOYSA-N	446.956	4.650	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OCc3cccc(OC)c3)cc2)cc1	3083550	HMYQOBLWIZVFEO-OVVQPSECSA-N	431.536	4.884	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCCCOc1cccc(C)c1C	13940887	VMVZTCPBMKLHJI-OVVQPSECSA-N	432.520	4.924	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1	108986912	WLXDPUHRJCINQZ-MZJWZYIUSA-N	428.467	4.551	50	40	IJGB	
CCC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1	254492137	DHAKPBUQQIBNQU-UHFFFAOYSA-N	441.560	4.957	50	40	IJGB	
C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408707595	KUXAJVCBEFHDPN-ROXUQJQNSA-N	447.366	4.882	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC(=O)c3ccccc3)c(Cl)c2)cc1	408894889	JPGLDNUHUPGBBT-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)COc2ccccc2Cl)c1C	409002412	ZSEAITQVWJTNCN-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1C	409007565	PEXCCHXJDZLZDK-QQXSKIMKSA-N	446.507	4.567	50	40	IJGB	
Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)C(C#N)=C(N)O2	409144506	OFPYGBFZRXTSOY-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
Cc1[nH]nc2c1[C@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)C(C#N)=C(N)O2	409148875	TUBZAGBEILIVLY-GOSISDBHSA-N	445.281	4.961	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCCOc1ccccc1C	409197230	ZIXNKGPGMDJREY-KOEQRZSOSA-N	438.549	4.606	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(CC)cc2)cc(Br)c1OCC	409365717	WMMSKKGWELJHCZ-UCQKPKSFSA-N	433.346	4.502	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(O)c1	409393487	XSWBPMRXAIZVJL-JVWAILMASA-N	426.472	4.897	50	40	IJGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c3ccccc32)o1	409394029	UPPSMRBQSTZWQJ-AQTBWJFISA-N	439.471	4.923	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1	408590317	OWQRRNQLQYGXQO-JVWAILMASA-N	425.488	4.798	50	40	IJGB	
COc1c(Br)cc(Cl)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	669288	ZDLOTHFCVYFENK-OAHLLOKOSA-N	437.721	4.562	50	40	IJGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)ccc1O	6089722	LBJBRBCMOZXRBU-QGZVFWFLSA-N	441.940	4.664	50	40	IJGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2)n1	12446045	XSNMKCCEEXUXTF-OGLMXYFKSA-N	438.531	4.891	50	40	IJGB	
N#Cc1cccc(COc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)c1	20760713	UVPFRVGXCFKXJI-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	83299818	JBPUETPDNZAQML-UJBXUPAJSA-N	437.515	4.596	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1F	408768843	KESULEPSMHBZJY-PXNMLYILSA-N	447.304	4.607	50	40	IJGB	
COC(=O)c1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408885475	AMXWGJNNWUWKPT-JVWAILMASA-N	438.568	4.857	50	40	IJGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCC)c2ccccc12)c1ccccc1	408982327	XOYJCDRMCMVZEU-KDPMPHTCSA-N	433.508	4.566	50	40	IJGB	
C=CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1	408999706	XKPBVFNTZWAPNG-CVKSISIWSA-N	437.927	4.841	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)NCCCc1ccccc1	409245030	MJHKWGXXEMZDBE-QJOMJCCJSA-N	441.487	4.830	50	40	IJGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc(Cl)cc1	726216	PPSACNAPZFHSLR-MZJWZYIUSA-N	432.911	4.825	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c(C)c1	20194883	WUVILEYSTDWFNZ-DHRITJCHSA-N	438.915	4.965	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1)C(=O)Nc1ccccc1	408708820	UADZXQDETCMHJU-ZMOGYAJESA-N	427.291	4.826	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)Cc1cccc(C(F)(F)F)c1	408754341	QIJLZXWAJOKDAN-FOKLQQMPSA-N	429.236	4.559	50	40	IJGB	
O=C(N/N=C\c1cc(Br)cs1)c1cc2cc(Br)ccc2o1	408945204	NDGYMLSUUCDEAC-FMQZQXMHSA-N	428.105	4.783	50	40	IJGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409218097	SPNWKZXZSQTTMX-FOKLQQMPSA-N	428.897	4.849	50	40	IJGB	
Cc1cc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)ccc1Br	409236913	IAMWEUIFRXVQOF-MXAYSNPKSA-N	442.332	4.997	50	40	IJGB	
Cc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1	705500	IIRNUVNPLTWMTO-HSZRJFAPSA-N	427.504	4.665	50	40	IJGB	
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1	2251972	GTHXRXNHYDLIIA-SILNSSARSA-N	446.576	4.711	50	40	IJGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cc(Br)ccc1O	2257489	UHAUYNCUAFXMKL-UFFVCSGVSA-N	446.128	4.771	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1	9261731	FLWOXAKEFIEILE-CIAFOILYSA-N	444.491	4.543	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccsc1	9580625	CVAXVTAFSMQGHK-NYHFZMIOSA-N	438.512	4.800	50	40	IJGB	
Cc1noc(COC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)n1	12558611	YOJKQYQOLAITNE-OVCLIPMQSA-N	431.279	4.743	50	40	IJGB	
COc1cc(OC)c([C@@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	16034506	PMUOFPWAARLTGP-JCEJCQQGSA-N	446.551	4.578	50	40	IJGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	16431330	GRASNILUDKZJBU-PGGKNCGUSA-N	432.263	4.544	50	40	IJGB	
FC(F)(F)C(F)(F)C(F)(F)C(Br)(Br)CBr	91251901	IJVLPXXHQIKICE-UHFFFAOYSA-N	434.769	4.700	50	40	IJGB	
C/C(Nc1nc(-c2cc(C)n(Cc3ccccc3Cl)c2C)cs1)=C(\C#N)C(N)=O	105145365	JEGLZOWSFDTUEU-LGMDPLHJSA-N	425.945	4.625	50	40	IJGB	
Cc1cccc(C)c1N1C[C@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408648194	JTCGSVVDBYQILG-MJGOQNOKSA-N	448.346	4.733	50	40	IJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408795605	CMBPOKJFLWGVCA-GDXCHIGESA-N	438.325	4.721	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4o3)c2C)c1C	681285	IXJISXVWDNEGPE-VULFUBBASA-N	429.476	4.699	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3sccc3C)n2-c2ccccc2)cc1	1300869	XTZUZFLFRVUKQN-ZVHZXABRSA-N	447.589	4.855	50	40	IJGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1ccccc1	1818616	MZFSGRKUIYVISD-KEBDBYFISA-N	434.999	4.726	50	40	IJGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3sc(Nc4ccccc4)nc3Cl)ccc21	2630371	BMTACQCCAAJMOL-FSJBWODESA-N	438.944	4.982	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OC	16408742	RXRWLNOVSFASOQ-NTEUORMPSA-N	433.277	4.931	50	40	IJGB	
Cc1cccc(C)c1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O	19955490	XWNCAAXTODAUBS-UHFFFAOYSA-N	435.634	4.846	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br	26123342	JJAXHTDSMSZNPI-RGVLZGJSSA-N	438.119	4.540	50	40	IJGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C\c3ccccc3C)nc3ccccc32)cc1	28351076	GZMPPCJZWXZMJK-YSMPRRRNSA-N	428.561	4.944	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)c1	408745444	MJFYXWQNROAOBH-NDENLUEZSA-N	442.471	4.939	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Br)c1OC	408894646	IMKKZRLILPKQDZ-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Cl)cc3)c2C)cc1	409187541	RROYZZUEBDYRKZ-AFUMVMLFSA-N	425.916	4.675	50	40	IJGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1O	409247866	ONRSKYLWZRQDKD-WZUFQYTHSA-N	441.203	4.728	50	40	IJGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1F)C(=O)N1CCCC1	409368054	MFRGCPWGNSMPIZ-GZTJUZNOSA-N	429.289	4.697	50	40	IJGB	
CCOc1ccccc1/C=N/NC(=O)COc1cc(C)c(Br)cc1C(C)C	3663504	BMXQLHZRWHBCHP-FSJBWODESA-N	433.346	4.809	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2C(F)(F)F)c1C	9812449	PRAMFXXIJGBPEJ-ZHZULCJRSA-N	431.439	4.776	50	40	IJGB	
CC1=C/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(C)cc3C)c2)CC(C)(C)C1	12614045	GCZZHPUBFHQODV-LKUDQCMESA-N	439.581	4.956	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20247154	OFVYNWBGDFRXSZ-PODSUIKTSA-N	449.963	4.878	50	40	IJGB	
C[C@@]12CCC[C@H]1[C@@H]1CC(=O)[C@@H]3[C@H](Br)C(=O)[C@H](Br)C[C@]3(C)[C@H]1CC2	118925075	OQUKHIQVQFXNRS-HTEBGJNVSA-N	446.223	4.914	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c(C(=O)OCC)c1C	408546705	NGJJXOXCYGZENF-XNTDXEJSSA-N	445.924	4.782	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(N2CCCC2)cc1	408676330	HMKZQJFOMUPESW-ZVHZXABRSA-N	438.871	4.872	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nn2-c2ccc(C)cc2)cc1	408724984	NISOTRYQZVJHAB-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408804223	DKWMZWIMEAXHDH-CLXYIWAZSA-N	443.341	4.858	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1	408973701	PJAVDCUFPYZPRI-ZMOGYAJESA-N	428.275	4.875	50	40	IJGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	409187246	NXYQYZNOHFLCME-UUYOSTAYSA-N	438.534	4.558	50	40	IJGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1	409391983	MHDDNTNNFZODMC-LGJNPRDNSA-N	432.411	4.709	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc(Br)cc2)cc1	9296174	LKAIKWRHUOUVBF-QFIPXVFZSA-N	449.304	4.952	50	40	IJGB	
Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1	12275447	HHKDHQXLEGRPJT-UWJYYQICSA-N	430.451	4.657	50	40	IJGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccccc3F)ccc2OC)cc1	12590269	YJKFEUXTHZOPKZ-QGOAFFKASA-N	446.434	4.608	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(F)cc1	30817666	ZBTRQVBOTPMKDM-WGARJPEWSA-N	440.858	4.861	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)Nc1ccc(Cl)c(Cl)c1	408551345	CERVREGTRCAUFY-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408583822	XCKZRXDIMJAEKH-OQLLNIDSSA-N	435.261	4.771	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc(OC)c1OC	408789393	POYXFAAWRFNPQH-DEDYPNTBSA-N	444.487	4.837	50	40	IJGB	
N#C/C(=C/c1ccc(O)c(I)c1)c1cccc(Br)c1	408961198	BHQGXJPRDWNIOR-SDQBBNPISA-N	426.051	4.823	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1OCC	409312637	NBWFQNROSCSACC-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
COC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21	786658	UITXFVBZZVSNOR-MDWZMJQESA-N	428.275	4.667	50	40	IJGB	
COc1ccc(NS(=O)(=O)c2ccc(N/C=C(\C#N)c3nc4ccccc4o3)cc2)cc1	826833	NELHNRWZUFAWLF-FOCLMDBBSA-N	446.488	4.614	50	40	IJGB	
COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	2313480	WXLBKOPPJHRNFZ-LFIBNONCSA-N	428.319	4.666	50	40	IJGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C	59333097	VFKFODHQVCGYIA-PLRJNAJWSA-N	438.575	4.912	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	59921179	PAYNZVPTHVFBFB-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408792569	LAYZEMIRHGSELK-NYYWCZLTSA-N	425.655	4.656	50	40	IJGB	
N#C/C(=C/c1cccn1-c1cccc(Br)c1)C(=O)NCCCc1ccccc1	409250643	RNCZCPAOJQLLIU-CYVLTUHYSA-N	434.337	4.896	50	40	IJGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409258398	UVGLDCWXJZOWFA-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	1775341	JMCSEIRPSXRGLZ-WKTMJKCCSA-N	438.531	4.898	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(N(C)C)cc1	7384553	IDXQGWSKXGGMRI-OVVQPSECSA-N	429.568	4.524	50	40	IJGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(Br)cc2)c2cccc(C)c2n1	13424257	UULSNDSOMAUHHU-SSDVNMTOSA-N	428.355	4.857	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)[C@@H]1COc2ccccc2O1	16526305	WYJQFBVKCKXEPH-YYKYCJCRSA-N	438.483	4.709	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	59410620	AXBFMLFYRSIWQM-CVKSISIWSA-N	438.911	4.629	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	59444398	MGKJGAMKECWOLA-HCGXMYGOSA-N	438.620	4.754	50	40	IJGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc2Cl)cc1	408887285	NJWRWFVDLVPLGG-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	10475806	BUBSEGUTHWPBMZ-YDZHTSKRSA-N	427.844	4.600	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	18173672	POIUUECFVRJXLT-KDJFERLWSA-N	449.510	4.594	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1	59159054	DOVLFJQUOYIMPF-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(O)c2ncccc12	59459144	NGNKGYDYQPNQGT-DHRITJCHSA-N	434.293	4.549	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)c1	108007013	STGAGOFYBKGGQN-RWPZCVJISA-N	445.494	4.918	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c([N+](=O)[O-])c1	408890536	VHXMYXOODNBQCA-GXDHUFHOSA-N	448.391	4.626	50	40	IJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	33714430	SEOVHNWEUCCPQN-TUTDSIAXSA-N	428.872	4.770	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(I)c2)cc1Cl	408983095	KJEWSOPJQLFWKZ-SDQBBNPISA-N	438.652	4.504	50	40	IJGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1	409067340	XRTXISANGUZZFK-BUVRLJJBSA-N	435.436	4.576	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccc(C(=O)O)cc1	2773667	NYGVJFGPSDSDGX-UKTHLTGXSA-N	437.795	4.752	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	10475805	LWLCBJDYMNNXDE-YDZHTSKRSA-N	427.844	4.600	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccc(OC)cc3)ccc21	12413782	JRTCKKONIQZVBV-OGLMXYFKSA-N	442.519	4.958	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409224294	KSXZAXPIOQMLPB-GHRIWEEISA-N	447.878	4.609	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1	409363040	KSRWZNZAFASWMH-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
CN(C)[C@H](c1ccccc1)[C@@H](CBr)C(=O)c1ccc(Br)cc1	1754545	VETHZNPUMSWYSY-IAGOWNOFSA-N	425.164	4.946	50	40	IJGB	
O=C(CSc1cccc2cccnc12)NNC(=O)c1ccc(Oc2ccccc2)cc1	9882950	ZRSQHNUYVYIGHE-UHFFFAOYSA-N	429.501	4.580	50	40	IJGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	58913802	JLBIRRKPWYOTCP-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1	408817660	WTFVYKGLFPIVAB-YBEGLDIGSA-N	436.851	4.530	50	40	IJGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408986513	MKXSUSAYJMMBRT-GDNBJRDFSA-N	429.701	4.969	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OC)c2)cc1OC	409326972	PHLVHEFCOVNMGI-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@H]1c1ccc(Cl)cc1	2310739	VSGJSHFBZYOPOK-INIZCTEOSA-N	432.332	4.704	50	40	IJGB	
O=C(Cc1ccccc1)NN[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1	3322043	NMELVJGIQUCEGE-NRFANRHFSA-N	428.319	4.537	50	40	IJGB	
Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=C(\C#N)C(N)=O)c1	16158126	ISSIPUOJNPYGHJ-GZTJUZNOSA-N	443.341	4.731	50	40	IJGB	
N#C/C(=C\Nc1ccccc1F)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	27521373	YCCAOTSYHXGAIZ-JLHYYAGUSA-N	434.408	4.940	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1	408969018	FWIFUVITJFRLSJ-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)CNc1cccc2ccccc12	409393472	XPPPLFYUPDSHSL-AFUMVMLFSA-N	438.325	4.729	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](C(=O)O)N2	6074182	HFXTYQITEZRVMW-VTFNBCMLSA-N	446.912	4.548	50	40	IJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21	208205762	HIFOKQJWIVQSMW-LJGKHRNASA-N	426.542	4.559	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cccc(I)c1	408996599	QFVBPODHCSJOSX-UDWIEESQSA-N	448.285	4.799	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3)o2)c(Br)c1	409169472	PYPWTMSEIBWFJO-LJGKHRNASA-N	427.298	4.935	50	40	IJGB	
N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@H]1c1ccsc1	707176	SEYABCJTAVLBJC-SFHVURJKSA-N	444.329	4.954	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)sc(C)c1C	2669838	OXZFQVFRENOOFO-QGOAFFKASA-N	425.554	4.934	50	40	IJGB	
COc1ccc(/C(C)=N\NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1	13647837	ABRNRBNNWZJRBO-IMRQLAEWSA-N	440.503	4.818	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc(OC)c1OC	33339895	ORPGZLBLFJCUCW-YUMHPJSZSA-N	441.487	4.692	50	40	IJGB	
CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	33783049	PSTHDCGFMQIHMC-ZROIWOOFSA-N	429.261	4.939	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(C)c3C)c2C)c(C)c1	408931257	JEHLGNFGQQLDKI-WGARJPEWSA-N	432.524	4.962	50	40	IJGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c3ccccc32)c1	409228399	YKAOFICCXVKLKG-LGJNPRDNSA-N	443.576	4.647	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409312464	LHDCWKQBAQPHJC-MRXNPFEDSA-N	432.332	4.704	50	40	IJGB	
CN(C)C(=O)C(C#N)=Cc1ccc(-c2nc3c[nH]c4nccc-4c3n2C2CCCCC2)o1	1857637343	GJMZWYLOARVASY-UHFFFAOYSA-N	428.496	4.625	50	40	IJGB	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	1034252	VXCRIKCPRHKYPV-UHFFFAOYSA-N	441.768	4.536	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3ccccn3c2=O)cc1	3643931	KHCMUMFETZFYCE-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c(Cl)c1	9190631	STPIEXCDGCILHT-FBCYGCLPSA-N	446.526	4.643	50	40	IJGB	
CC(C)Oc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)c(OC(C)C)c1	9203179	DLEYOTNAEYUFIU-QRVIBDJDSA-N	433.346	4.716	50	40	IJGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1	9210671	WCIKHMYBSDGZJD-QGZVFWFLSA-N	426.398	4.712	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(NC(=O)c2ccccc2)cc1	59436896	GSVWLOBVXBHYDE-AFUMVMLFSA-N	436.855	4.655	50	40	IJGB	
O=C(N/N=C\c1ccc(Br)cc1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408728313	JPYQIXBNLQMJHS-ROTLSHHCSA-N	438.300	4.872	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)c1	408744612	GFGVUGPTNOCLSW-AQTBWJFISA-N	430.460	4.986	50	40	IJGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)c1C	409256607	MIENQAYMTKGOKS-KGENOOAVSA-N	425.488	4.867	50	40	IJGB	
O=C(N/N=C/c1cccc(I)c1)c1cc2c(ccc3ccccc32)o1	2162422	DMIODNQREFDGEM-WSDLNYQXSA-N	440.240	4.955	50	40	IJGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	12576876	ALWHMWFXUPDILC-AWEZNQCLSA-N	429.303	4.889	50	40	IJGB	
COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N	20533312	MCLRRUPMMZSOHP-LJQANCHMSA-N	431.517	4.656	50	40	IJGB	aggregator
Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cn1	30803208	TXNYWMSZEVOIQE-GATIEOLUSA-N	428.275	4.680	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC(C)=O)c(OC)c3)n2)cc1	31904633	PVSQKJURYKRPEK-MFOYZWKCSA-N	436.489	4.825	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc(N3Cc4cc(C)c(C)cc4C3)c2)ccc1O	408728932	AZPVQMGOHHKSAW-MZJWZYIUSA-N	429.520	4.692	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OCc1ccccc1	408740678	DEJDMXULRKBDKR-UNOMPAQXSA-N	429.432	4.728	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OC)c1OC	408759656	IUWUIAJAVLTIKJ-YBEGLDIGSA-N	427.298	4.740	50	40	IJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	408775474	HMWMLXGJPFZGAG-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c1C	408960565	MTODITAEENOXSC-YUMHPJSZSA-N	432.568	4.560	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1NC(=O)c1ccccc1	409219810	VFNPHDBALDLZGO-DHRITJCHSA-N	434.883	4.652	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccccc1	409229774	UVXHLGMSZPIRLG-OYADDEIPSA-N	426.472	4.748	50	40	IJGB	
Cc1ccc(-n2ncc3c(NNC(=O)Cc4cccc5ccccc45)ncnc32)cc1Cl	9518719	MMQMSTUEQKMXJD-UHFFFAOYSA-N	442.910	4.616	50	40	IJGB	
O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1	13647250	IXRGESMPNIOQSF-VULFUBBASA-N	446.894	4.779	50	40	IJGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3cc(Br)ccc3O)c2)cc1	14408720	XASFLVWVQKASDF-ZMOGYAJESA-N	439.309	4.806	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	108206019	JLBOKJPTSRJUDE-LGJNPRDNSA-N	439.874	4.780	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC	408569992	RIWUKJXONQAVOW-ZSOIEALJSA-N	440.272	4.939	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1	409135128	QABMLOITLDWRGC-XMMPIXPASA-N	447.510	4.533	50	40	IJGB	
COc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1	1404976	CEWBCVIHVNMQLK-UHFFFAOYSA-N	440.912	4.554	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1	2422037	LSXIPJHASXLBPA-SRZZPIQSSA-N	448.482	4.972	50	40	IJGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	3144988	SSTVCJWIUYEDNR-ZMOGYAJESA-N	427.501	4.543	50	40	IJGB	
O=C(CCCCCCC(=O)NN=Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1	8756598	PRYZLIFIVUKBHJ-UHFFFAOYSA-N	447.366	4.934	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccs2)cc1Br	59197662	BBTXIVSPUFOCIX-GIJQJNRQSA-N	444.148	4.602	50	40	IJGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4c(O)ccc5ccccc45)cc3C2)cc1	83261750	QNYJDGRUYUOHFF-MBTHVWNTSA-N	437.499	4.838	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408718755	FWAGYYBICOKJQO-YZSQISJMSA-N	447.491	4.655	50	40	IJGB	
O=C(N/N=C\c1ccccc1O)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408726347	BHBBVPKGBCRBRW-PPDIBHTLSA-N	425.410	4.695	50	40	IJGB	
CCN(CC)c1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c(OC)c1	408903990	CBUGMQTZAUJFTA-XKZIYDEJSA-N	433.350	4.768	50	40	IJGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1	408913757	NOPGZXMBCRIROX-QFEZKATASA-N	434.496	4.655	50	40	IJGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(Oc3ccccc3)cc2)cc1OC	3304054	NJMZGVXIFMYCIJ-LTGZKZEYSA-N	428.488	4.762	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3OC)o2)c(C)c1	108055588	DUTSJXAPZOWGOX-JFLMPSFJSA-N	442.471	4.967	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1OCC	408761463	FQKJORPCSWENNP-WJDWOHSUSA-N	427.298	4.958	50	40	IJGB	
COc1ccc(-n2cccc2/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1	408904176	FXWSUWLHTPJZHR-XKZIYDEJSA-N	427.302	4.712	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1OC	409317382	QBSJFSVKNRXYMN-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1	409330582	BENAYFOARSQYRD-OAHLLOKOSA-N	443.981	4.772	50	40	IJGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)cc1	1888396	BBXIIOBUOSUWJV-SRIJWZPRSA-N	426.925	4.638	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1	8721606	YVXRLYFPGFTXEX-JOWQQVNMSA-N	447.535	4.754	50	40	IJGB	
COc1ccc(OCCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2OC)cc1	12285326	BYOLREAXBPNGRG-NLRVBDNBSA-N	449.507	4.707	50	40	IJGB	
CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1	38650322	JZUHCUIUNBIQQM-DEOSSOPVSA-N	442.471	4.531	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1	408767613	YYTUXBKROXSRCN-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1cccc(F)c1	409240247	PEXFZYQCJKLYPD-WKIKZPBSSA-N	444.865	4.899	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Cl)cc3)c2)c1	409248688	FJDQVRQBOKTQLV-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	1433679	LNPBZPMZIFTQLV-JVWAILMASA-N	427.504	4.536	50	40	IJGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(OC(F)(F)C(F)F)cc2)cc1OC	2757806	FEQJZFKTIRVLRG-LGJNPRDNSA-N	442.409	4.875	50	40	IJGB	
C[C@H]1CCc2sc(C(=O)N/N=C3\C(O)=Nc4c(Br)cc(F)cc43)cc2C1	3380828	ZZNIMJRCUJHIIZ-QMMMGPOBSA-N	436.306	4.510	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1	9693126	UHOWHJFCCTXNMN-GOSISDBHSA-N	440.366	4.977	50	40	IJGB	
C/C(C[C@@H]1C(C#N)=C(N(C)C)N(c2ccc([N+](=O)[O-])cc2)c2c1n(C)c1ccccc21)=N\O	12362661	WANQCCZFLAKNDW-UAHQCSBISA-N	444.495	4.859	50	40	IJGB	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(Cl)c(O)c(Cl)c3)cc2)c1	20408032	RQGDYXKEJQLCSI-BRJLIKDPSA-N	443.286	4.991	50	40	IJGB	
Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1F	33389755	SHWXTRFAQDXQPT-DICXZTSXSA-N	444.466	4.738	50	40	IJGB	
Cc1cc2occ(CC(=O)OCC(=O)/C(C#N)=C3/Sc4ccccc4N3C)c2cc1C	96809724	OOKDAMMPAADJAE-HKOYGPOVSA-N	432.501	4.682	50	40	IJGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1	408887350	PXCXLXYWOZNHNV-YDZHTSKRSA-N	449.315	4.525	50	40	IJGB	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(Sc2ccccc2)o1	409002823	WPCJHZKJLNTUHJ-CIAFOILYSA-N	431.311	4.722	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)ccc1O	954323	IQFAADTWDDWXNR-FRKPEAEDSA-N	439.924	4.956	50	40	IJGB	
CCCOc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)c(OCCC)c1	2176379	XEYFLYPGMVKCNQ-OEAKJJBVSA-N	449.345	4.556	50	40	IJGB	
Cc1cccc(C(O)(C(=O)N/N=C(/c2ccccc2)c2cccnc2)c2cccc(C)c2)c1	2271506	HBNSRQFXRFFPBT-BXVZCJGGSA-N	435.527	4.503	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc(Br)cc2)cc1	9296173	LKAIKWRHUOUVBF-JOCHJYFZSA-N	449.304	4.952	50	40	IJGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3cccs3)C3=C(CCCC3=O)N2)c1	13174344	ONZGACXNDKNUKC-OAQYLSRUSA-N	435.574	4.858	50	40	IJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccco1	13660056	FIFUCBSZSSIYAW-MYYYXRDXSA-N	438.940	4.964	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CCSc2ccccc2)cc1OC	28217888	BGQZVKNTCHZAMV-HYARGMPZSA-N	449.370	4.655	50	40	IJGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c2ccccc21	408676162	GJEYWPXCNNFCHK-UXHLAJHPSA-N	447.542	4.925	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)cc1	408745187	PYKSAGQLALOJHW-RGEXLXHISA-N	429.476	4.737	50	40	IJGB	
COc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)c(Cl)c3)c2C)cc1	408849940	BFRNHWSPBHIHDP-MSXFZWOLSA-N	440.887	4.610	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c(OC)c1	408880657	GNUAMQGPUKLIGS-HYARGMPZSA-N	428.488	4.506	50	40	IJGB	
Cc1c(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(Cl)nn1-c1ccccc1	408891691	BJCRWVVBDVXEBY-FOKLQQMPSA-N	433.364	4.871	50	40	IJGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccccc1Cl	409068756	VCUAHERRPWVFQF-LGMDPLHJSA-N	438.892	4.653	50	40	IJGB	
N#CC1=C(SCCOc2ccccc2)NC(=O)C[C@@H]1c1cccc(Br)c1	409325251	XETNULNNVOFWBX-QGZVFWFLSA-N	429.339	4.600	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@H]1c1ccc(Br)cc1	985810	JSBVFIAWDKRGPE-HNNXBMFYSA-N	427.689	4.711	50	40	IJGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccc(Cl)cc1Cl	3186269	TVRMULZMNNDEEJ-IFRROFPPSA-N	436.520	4.938	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccc(C)cc1	13895309	AKTFNTAIXSRLNW-NLRVBDNBSA-N	439.556	4.817	50	40	IJGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)c2ccccc2)cc1	13982188	KQBPDQUDBKXVPD-UHFFFAOYSA-N	449.919	4.882	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)c(C)c1	20194880	BMNQSHWYWZHBIO-LQKURTRISA-N	445.563	4.969	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(N)=S)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	108041865	QDPWHXAOGDZADW-KPKJPENVSA-N	437.399	4.998	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)c(C#N)c1C	408546496	KECFUMXKFRMPBX-ZDLGFXPLSA-N	436.533	4.858	50	40	IJGB	
O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1cccc([N+](=O)[O-])c1	408602379	NBGXHUXBPFULSY-MSXFZWOLSA-N	427.819	4.730	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1	408904025	CMTBKOGTDVVQAG-JJFYIABZSA-N	434.364	4.582	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1	1106105	LBRNKEVZPFUZKS-YDZHTSKRSA-N	444.329	4.814	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(OCC)cc4)CSC3=C2C#N)cc1	9408640	KSCLAXNEGOXYNB-OAQYLSRUSA-N	435.549	4.703	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(C#N)=C(N)O2	9679911	LCZVYSRKRPKDBE-LJQANCHMSA-N	445.281	4.961	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3cccs3)c(OC)c2)cc1	57399495	XFIMFBXIHZMFHM-VBKFSLOCSA-N	434.473	4.530	50	40	IJGB	
Cc1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98042961	SSQDRHZJNOWMOD-HUUCEWRRSA-N	427.092	4.986	50	40	IJGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1	409230285	BTFLVUZNHBXADK-WGARJPEWSA-N	426.875	4.760	50	40	IJGB	
N#C/C(=C/c1ccc(I)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409236985	UEAYIPSKXPKWBE-WQLSENKSSA-N	442.178	4.856	50	40	IJGB	
COc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	3666786	LHKWFWCYGGRGQM-UFWORHAWSA-N	446.526	4.638	50	40	IJGB	
COc1ccc(C(=O)Nc2ccc(/C(C)=N/NC(=O)c3c[nH]c4ccccc34)cc2)cc1	8861305	IQHVCFXEBJUZMQ-LQKURTRISA-N	426.476	4.583	50	40	IJGB	
COc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1I	33828613	FEYIJKUEYDDTIX-ZSOIEALJSA-N	429.261	4.857	50	40	IJGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CCCCC1	408706913	FALJGFRSPNPEOC-DHRITJCHSA-N	447.366	4.944	50	40	IJGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1C1CCCCC1	408741237	OQVPQOLZMKETLU-YDZHTSKRSA-N	432.362	4.902	50	40	IJGB	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)c1	408763324	PAUKUKMCOUMMFN-AFUMVMLFSA-N	445.500	4.598	50	40	IJGB	
Cc1cc(/C=N\NC(=O)COc2cccc(Br)c2)c(C)n1-c1ccc(F)cc1	408778598	IDBRYYFDOYOYEG-MSXFZWOLSA-N	444.304	4.525	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Br)cc(Cl)c1O	2277678	KWIIYCHWNIVLFW-ZVBGSRNCSA-N	434.677	4.535	50	40	IJGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	8733041	LKRGYHURSGRBGA-SXYIGIQMSA-N	447.417	4.773	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N[C@H]1CCCC[C@H]1C	9187350	JHHZZZISGQTAMO-BLLQNSDFSA-N	444.535	4.709	50	40	IJGB	
CCCCNC(=O)CCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	14922132	ZRHJGSBFBYPFFU-WPWMEQJKSA-N	443.975	4.846	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	33533070	JCOGQIDPHDAKJS-BRJLIKDPSA-N	439.512	4.636	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OC(=O)c2cccc(F)c2)c1	408881541	NVQUJBQQYIBKHF-VCHYOVAHSA-N	445.406	4.807	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)c1	409040644	HHXIRWKUDPIOQL-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
CCCCOCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615215	CELYSLKKVPJECL-MEDUHNTESA-N	438.156	4.836	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	20197249	HVCITKPNGIGTJV-PCLIKHOPSA-N	433.464	4.727	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	20247090	IGBOCBUIJNNITQ-IAWFGPOKSA-N	429.545	4.533	50	40	IJGB	
COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(Br)c2)C(C)(C)C)c1C	38799980	UAFCOEKNMQYUQM-UHFFFAOYSA-N	433.346	4.660	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1	59433859	MMYRTTZNLLXSRG-ZMOGYAJESA-N	428.275	4.875	50	40	IJGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)c1C	223150978	ZSCHARYXJUILOG-ROTLSHHCSA-N	443.334	4.798	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1C	223153878	SEJNIZCAACQEHW-ZRGSRPPYSA-N	429.398	4.671	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCc2ccccc2)c1	408709086	XGPGUFZZMDFWDN-LQKURTRISA-N	448.954	4.509	50	40	IJGB	
CN1C(=O)/C(=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc21	409331190	MNRSPBKHVURYJZ-NJNXFGOHSA-N	435.936	4.743	50	40	IJGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409376090	UFNFJIVRBWSEHX-LGJNPRDNSA-N	434.367	4.945	50	40	IJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	3116296	XNAWLCUTPKUMRU-OGLMXYFKSA-N	426.447	4.891	50	40	IJGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)CCCc1nc2ccccc2s1	17396043	JOPLBBVQVFMSDU-UHFFFAOYSA-N	445.972	4.587	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OCc1ccccc1	30843683	LGJQOZATVFPXAX-YUMHPJSZSA-N	432.520	4.810	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c(C)c1	408767764	NGMQUZUSENYBRQ-UHFFFAOYSA-N	435.634	4.846	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1	408794278	RUMHKGXJMKBMDP-QGOAFFKASA-N	431.879	4.903	50	40	IJGB	
CCOC(=O)C1=C(CSc2ccccc2)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	1399143	HJHBYXHCCCAVKR-LJQANCHMSA-N	426.925	4.757	50	40	IJGB	
COc1ccc(Cl)cc1C(=O)N/N=C(\C)c1cccc(NC(=O)c2cccs2)c1	17095647	BFKRCQPMZLRBJU-ZMOGYAJESA-N	427.913	4.816	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C\c3sccc3C)n2-c2ccccc2)cc1	19849196	XTZUZFLFRVUKQN-OYKKKHCWSA-N	447.589	4.855	50	40	IJGB	
O=C(NNC(=O)c1ccccc1CSc1nc2ccccc2o1)c1cc2c(s1)CCC2	29700267	CPBSFZOYTIKKME-UHFFFAOYSA-N	449.557	4.745	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)c(O)c(Br)c1	110131857	MAVDLBJPUHHVGD-LSHDLFTRSA-N	433.689	4.734	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2F)cc1	408886837	MNOWVGFXQQJDRB-CPNJWEJPSA-N	432.451	4.968	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)cc1C	409325650	ZHBGSEKQEAKSCA-SFHVURJKSA-N	425.941	4.667	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1OC	668824	IGFGHQMPIGNLAM-LSFURLLWSA-N	431.703	4.583	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(O)(c1ccccc1)c1ccccc1	9144647	DHOMZKQJCAHTEF-ZTKZIYFRSA-N	436.511	4.652	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)n(-c4ccccc4)c(C)c32)cc1	26108602	OKLMUNKLJAZAPK-SANMLTNESA-N	449.510	4.834	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC(C)=O)c(OC)c3)n2)cc1	33930165	PVSQKJURYKRPEK-RQZCQDPDSA-N	436.489	4.825	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OC(C)C	408936179	FSIDDHCAWXHLSG-JJFYIABZSA-N	431.286	4.755	50	40	IJGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1ccc2ncccc2c1	408964621	DUWKYKDTGFJNFK-OKCVXOCRSA-N	449.514	4.720	50	40	IJGB	
O=C(NN=C1CCCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1	408973364	MBVWKUKGDQOXMG-RUZDIDTESA-N	435.593	4.943	50	40	IJGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409362272	UPEFHWOGERVOAA-FOKLQQMPSA-N	432.705	4.925	50	40	IJGB	
CC(C)[C@]1(C)C[C@@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	1673454479	UREQLSZNUCLWOL-OZXSUGGESA-N	431.536	4.797	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1cccc2ccccc12	2286473	NRUUIXQPMHVBNU-MTDXEUNCSA-N	438.483	4.760	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1	9971482	KYVJYINJMKUAFT-YDZHTSKRSA-N	441.281	4.650	50	40	IJGB	
CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccccc1Cl	59535681	CQKOYAWKLJVYFC-UFFVCSGVSA-N	425.710	4.550	50	40	IJGB	
C#CCOc1c(I)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	209484363	GVECMCVXKCZZLF-LICLKQGHSA-N	429.257	4.684	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(Cl)c1OCC#N	408766295	UBRFYSWTHYYUGW-QPEQYQDCSA-N	446.688	4.559	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408792860	LUTWLWZLXYWDER-RIYZIHGNSA-N	430.689	4.859	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)NC[C@@H]1CCCO1	408818978	ZMHHGQOEOXXCSU-YZILGEIOSA-N	431.319	4.775	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC	409225105	OXMHNJCSLCFHBS-ZVHZXABRSA-N	441.325	4.702	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(F)cc1	800405	SVCZIMCBFFSULP-DEOSSOPVSA-N	432.451	4.727	50	40	IJGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	2203612	ASIBKEAZRHYPEG-OAQYLSRUSA-N	435.443	4.666	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1	3117056	KPXKCRNQZCEFRK-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1O)c1nc2ccccc2[nH]1	8383261	LBAAAJBGYHICCV-WEVVVXLNSA-N	435.075	4.563	50	40	IJGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1OC	101904082	LHEFGGOTTCOBRM-OGLMXYFKSA-N	446.507	4.582	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	408889132	ADWOQZSBRPCNOL-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c([N+](=O)[O-])c1	408896880	UMOJKXKNPSPMTF-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Br)cc1F	408993540	WAQUQVLUXMGZAS-CFRMEGHHSA-N	428.305	4.689	50	40	IJGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1	408996966	KUDFQPSFZOPRRG-KHSOTRJGSA-N	448.320	4.865	50	40	IJGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)cc1	36020552	PPYOHIRSQFAEMU-ZMOGYAJESA-N	427.501	4.543	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409311533	GWVQPWCFIQOQJO-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
C/C(=N\NC(=O)CC1(C)OCCO1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917403	VCLUXRQGIQGXAG-REHWIDNDSA-N	431.536	4.506	50	40	IJGB	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(CN2CCc3ccccc3C2)cc1	408766800	GNZLIGCUYHVHRE-CVKSISIWSA-N	448.364	4.771	50	40	IJGB	
O=C(N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl	408880549	KKFQXMZMAKJUJE-YDZHTSKRSA-N	449.315	4.525	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1Cl	409045007	XHAKOLGMOABORD-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	672492	UPQIADXSAJFCIV-ZMOGYAJESA-N	436.855	4.573	50	40	IJGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1	1436482	ZLMPKOKSRSLPDV-SFHVURJKSA-N	444.329	4.954	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(F)cc1	1438749	LPDULGUBLXXTES-YBFXNURJSA-N	446.434	4.657	50	40	IJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1	14185981	MMBIVECCEQBLLW-OVMKCGGTSA-N	440.794	4.799	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1cccc(Cl)c1Cl	58912875	ZJGONMHXRHIBHN-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	58913184	NOVPRWBIKWEXCJ-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
O=C(OC[C@@H]1O[C@H](Cl)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	100041491	QEHCZULNFYDPPL-ULQDDVLXSA-N	429.683	4.730	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408886377	GOWNRGNCCSXHRA-UKTHLTGXSA-N	438.783	4.962	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	409130228	MEONYMHJTBAWNR-QFIPXVFZSA-N	449.850	4.751	50	40	IJGB	
Cc1cc(Cl)ccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1	712302	BGJOLTPQCVOSCR-UHFFFAOYSA-N	447.988	4.670	50	40	IJGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	12576883	ALWHMWFXUPDILC-CQSZACIVSA-N	429.303	4.889	50	40	IJGB	
CN(C)c1cccc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	13128524	YGEYVMILQZMCTG-UHFFFAOYSA-N	439.968	4.773	50	40	IJGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc(NC(=O)c2cccs2)c1	17095648	LDMGVTUXCRNRPY-ZVHZXABRSA-N	427.913	4.573	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(N2CCCC2)cc1	408677016	OOCPEUAPIULXHC-AFUMVMLFSA-N	437.883	4.662	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC	408765509	XZZRVAHCSAYQQH-YDZHTSKRSA-N	427.298	4.774	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408968212	UTITUSQKSKMZJL-YUMHPJSZSA-N	433.552	4.929	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)c1ccc(F)cc1	3087910	UTOXGZQWUOMUIS-UFFVCSGVSA-N	442.453	4.852	50	40	IJGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCC(C)CC3)nc12	13648082	AJHMKUJCFBEHCI-NBVRZTHBSA-N	441.560	4.913	50	40	IJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1OCc1ccc(C(=O)O)cc1	59167575	BTQMJKGGBWIUMU-OGLMXYFKSA-N	438.483	4.810	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)c1	408767442	XSAMWUVQWKMEIN-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1Cl	408986537	MTDADTXACNKYQL-WCIBSUBMSA-N	436.649	4.570	50	40	IJGB	
c1ccc(C[C@H]2COC([C@H]3CCCCN3P(c3ccccc3)c3ccccc3)=N2)cc1	1988188141	YCCYXXUAXWOWOK-JYFHCDHNSA-N	428.516	4.929	50	40	IJGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1OC	8812933	VDKNFGQTWPBKKN-ZVHZXABRSA-N	439.309	4.940	50	40	IJGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1OC	9292656	WZTHXYZJMCBLNA-QFIPXVFZSA-N	438.487	4.855	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1OCC(=O)Nc1ccc(C)cc1	107598758	MQIZACDVMLSXQD-STZFKDTASA-N	442.471	4.784	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1	210008763	GEGJNEIJSLPTAI-ZDLGFXPLSA-N	443.341	4.858	50	40	IJGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(C)C)c1Nc1ccccc1C	408706900	DWWHWISIOUIXJJ-JVWAILMASA-N	444.535	4.959	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408800591	NVNYUDQMDBTNIR-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)/C=C/c2ccco2)c1	3031896	HPNFVZTULBCABC-AWCMJFRQSA-N	439.471	4.614	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1ccccc1	8431339	UQNTZDQTCNUOOZ-XHPQRKPJSA-N	441.560	4.875	50	40	IJGB	
C/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc2c(c1)OCO2	33574451	AYKBUFZKZWSYRB-QRQIAZFYSA-N	439.471	4.697	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N2C(=N)C(C#N)=C(O)/C2=C\c2ccc(Cl)c(Cl)c2)cc1	104240724	FEDZYBYXJJIOHD-CHNJBTHYSA-N	441.274	4.762	50	40	IJGB	
O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1	408600217	AJWWHJRZQVGPFZ-MSXFZWOLSA-N	427.819	4.730	50	40	IJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(I)cc2)c1	408782098	HHBYBTQUJIOPIK-GDNBJRDFSA-N	432.261	4.624	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)c1	408944230	UPMHPIMZVHAUJM-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccccc1O	409121954	WDEQSJSLRWYOBZ-UUYOSTAYSA-N	427.869	4.869	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409216067	DRIYLYVALHZWBH-MSXFZWOLSA-N	440.843	4.598	50	40	IJGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1	716814	JSYJKIPZLKDXMP-CVKSISIWSA-N	430.895	4.722	50	40	IJGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccccc3C)ccc2OC)cc1	1439439	NVODYUNDOSTTKE-XSFVSMFZSA-N	442.471	4.777	50	40	IJGB	
CCOC(=O)CSC1=N[C@@](c2ccc(C)cc2)(C(F)(F)F)N2C=CC=CC2=C1C#N	14181584	BGLKSXUKMYJFSN-HXUWFJFHSA-N	433.455	4.582	50	40	IJGB	
CC(C)c1ccc(/C=N\NC(=O)[C@@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	31857532	JMCSEIRPSXRGLZ-BKBIYGFMSA-N	438.531	4.898	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1cccc2ccccc12	108226101	FMHSJXSEUCNJJH-QQXSKIMKSA-N	426.476	4.848	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC)cc2OCC)cc1	408789514	JUTUPOSHWUSASC-GZTJUZNOSA-N	442.899	4.860	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)C(=O)NCCCc1ccccc1	409230237	COUYXXIVVPVOTK-KQWNVCNZSA-N	441.487	4.830	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4ccccc4c3)o2)cc1	2341490	FUGDDLTUDSVJTH-LQKURTRISA-N	441.487	4.839	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(Br)cc(Cl)c3O)cc2c1	409187150	MUFYXBPJYZRENT-ZVBGSRNCSA-N	437.677	4.717	50	40	IJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	409208135	BFEALSRMQUKUOS-FOKLQQMPSA-N	442.884	4.678	50	40	IJGB	
COc1ccc2cc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c(Cl)nc2c1	872625	KZXMRVBOMXGJQZ-NRFANRHFSA-N	443.894	4.609	50	40	IJGB	
COc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	1698971	CZIXWKTXPQIUKQ-GJZGRUSLSA-N	443.091	4.686	50	40	IJGB	
O=C(N/N=C/c1ccc(O)cc1O)[C@@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2321767	WBZCAJDIVQVIPZ-SCRDLHCBSA-N	441.314	4.861	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=N)c(O)c1	6173379	SUYMRWKVZJNHCH-OJLKBQBTSA-N	447.322	4.535	50	40	IJGB	
CCCN1CCC(=NNC(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)CC1	17097062	FNKMDTHXCPYZET-UHFFFAOYSA-N	430.552	4.892	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)ccc1O	27579463	ZJLMVWHVLLSUSS-LSHDLFTRSA-N	447.969	4.810	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	28216359	KLZQNJCKQGLYTO-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	33389833	QSBLUHLBUWJOMS-OEAKJJBVSA-N	438.509	4.572	50	40	IJGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(F)cc1)oc1ccccc12	100772065	SASUNDVHVYHYMN-MZJWZYIUSA-N	433.439	4.868	50	40	IJGB	
O=C(N/N=C(C(=N/NC(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1	103978452	FCYVHTSUXHTTMQ-IDDWGTJGSA-N	446.510	4.655	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	408800107	KMUQNHNIQPMHJT-ISPGYRLHSA-N	443.478	4.628	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	409260355	PEWGDVZSXJWHHD-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2-c2ccc(C)cc2)cc1	1251455	GYCVMOZMZUCWHR-AFUMVMLFSA-N	445.548	4.695	50	40	IJGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)cc1	8692129	AVWFUNHTWVTAKP-QFIPXVFZSA-N	433.533	4.643	50	40	IJGB	
COc1cc(OC)c([C@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	9008597	PMUOFPWAARLTGP-WSZRMNBISA-N	446.551	4.578	50	40	IJGB	
C=C(CS(=O)(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	73370087	JGBRBROIIVLMKR-UHFFFAOYSA-N	443.528	4.968	50	40	IJGB	
N#C/C(=C/c1ccccc1)S(=O)(=O)c1cc(Br)ccc1Br	96792465	QEVSLVXVIJMHBI-JYRVWZFOSA-N	427.117	4.550	50	40	IJGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408735220	OSMGMEXRRGNOMC-AWNIVKPZSA-N	435.705	4.974	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1	408796021	XAFJXEOPHKKVPY-XSFVSMFZSA-N	445.906	4.581	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)n1	408862548	GBAQAGBCLLVDLN-WYMPLXKRSA-N	440.956	4.568	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1OC	409321412	GKYHCJIJKAMZJY-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c(Cl)nc2c1	649909	YFIDUMUQMQTJQQ-NRFANRHFSA-N	427.895	4.909	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1cccc(Br)c1	2185208	KUSZTEOAPUVHOT-NUGSKGIGSA-N	449.667	4.588	50	40	IJGB	
O=C(c1ccc2c(c1)OCCO2)[C@H](Br)[C@@H](Br)c1ccccc1	2275930	PAEYQESFSZSVTP-JKSUJKDBSA-N	426.104	4.540	50	40	IJGB	
Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccc(Cl)cc3Cl)ncnc21	9518720	ITNTWKSUGGTGGY-UHFFFAOYSA-N	447.713	4.841	50	40	IJGB	
CCOc1cc2c(cc1/C=C(\C#N)c1nc3sc4c(c3c(=O)[nH]1)CCCC4)O[C@@H](C)C2	9963419	GHNQQZAEMQCILC-WFSQQTBHSA-N	433.533	4.650	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	10003715	WQZKBUQGBMKRQS-JVWAILMASA-N	439.475	4.828	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(OC)c2)cc1	20197918	ALIKKJRBAWNRBP-OGLMXYFKSA-N	443.503	4.699	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)c1	33416487	KWIQGGKVQGFRLB-MZJWZYIUSA-N	446.894	4.513	50	40	IJGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@H]1c1cccc(Br)c1	38651439	FSKSPLYZXPYXQN-OAQYLSRUSA-N	447.288	4.886	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1ccc2ccccc2c1	116817858	DNYDJSBYQKWJMU-UFFVCSGVSA-N	448.114	4.834	50	40	IJGB	
COc1cc(Cl)c(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC	408904208	GLAQWAHRLPMBSN-UKWGHVSLSA-N	426.698	4.584	50	40	IJGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	409075603	SDYZHXMCHIKPHR-RCCKNPSSSA-N	446.503	4.711	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1F	409148266	YAXZQEQAGMSQED-XMMPIXPASA-N	447.510	4.533	50	40	IJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1OCc1ccc(C(=O)O)cc1	409190283	RKPUJYLQRCKOHK-STZFKDTASA-N	442.471	4.827	50	40	IJGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3nc(Nc4ccccc4)sc23)[C@H]1c1ccc(Cl)cc1	664178	PKUYKMZDPKDIOD-HNNXBMFYSA-N	447.907	4.600	50	40	IJGB	
C#CCOc1ccc(Br)cc1[C@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21	2143407	OGAXBYPOPQRRBM-NRFANRHFSA-N	431.289	4.832	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	6074192	HFXTYQITEZRVMW-CNVPOBLBSA-N	446.912	4.548	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c1	8811075	QDRVDKUEMBHUPY-DHRITJCHSA-N	441.915	4.537	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1	9203507	HFRUXHPZPYJWDN-ZMOGYAJESA-N	428.305	4.689	50	40	IJGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC	59272189	BZKAFOIBTVOPHC-MHWRWJLKSA-N	429.314	4.964	50	40	IJGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1	408765216	OMXNZWUOXGSEFK-RGEXLXHISA-N	436.471	4.890	50	40	IJGB	
N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@@H]1c1cccc(Br)c1	409326751	NOWLZFMBILPODQ-MRXNPFEDSA-N	444.310	4.629	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1	409327530	UVVDDXYWUYPRTC-SFHVURJKSA-N	437.590	4.736	50	40	IJGB	
Cc1cc2c(c(=O)n1Cc1cccs1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	1266728	CGEVJKBNZOAJGV-QGZVFWFLSA-N	444.343	4.792	50	40	IJGB	
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)CCl)c1SCc1ccc(Cl)cc1	1385377	IVCWIAMCMWAHHR-QPSGOUHRSA-N	426.247	4.501	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(Br)c(Br)c1O	13616737	RUIZOXMVRBYAJJ-UXBLZVDNSA-N	449.102	4.866	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC	20195263	IEMDCOIJMMGULP-ZVHZXABRSA-N	445.357	4.722	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OCc1ccccc1	20228391	OLHVCOLJGFQKFQ-WSDLNYQXSA-N	445.338	4.862	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)c1	408590894	REMVRYWAVAUPLZ-BRJLIKDPSA-N	444.318	4.951	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC	408811210	KUGOHMUTSXAWKY-GDNBJRDFSA-N	443.272	4.545	50	40	IJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	408992747	BLXCCZOBRNHQKF-ZVHZXABRSA-N	440.569	4.585	50	40	IJGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(I)cc1	409129724	SFJNBDYZBCWCAP-ZXOFLVKFSA-N	438.334	4.621	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409219199	NYHSOYXGTYNRNM-ATVHPVEESA-N	430.420	4.726	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccc(Cl)cc2)cc1	409223890	HGYILTSBQJXYGY-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)C(=O)NCCCc1ccccc1	409246890	KRWSFQIJFQVTHY-MNDPQUGUSA-N	434.337	4.896	50	40	IJGB	
Cc1ccc2c(c1)/C(=N/OC(=O)CCCCl)C(=O)N2Cc1cccc(C(F)(F)F)c1	3064405	NWIXDIFDWBXSMW-XHPQRKPJSA-N	438.833	4.827	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccccc1C#N	20195210	SFKXOPCIBNTJEY-STBIYBPSSA-N	441.531	4.846	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1F	408542017	JBZYFHNGMYEAPO-ODLFYWEKSA-N	446.434	4.657	50	40	IJGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1	1057130	SFQLSKPOMPVASZ-JOCHJYFZSA-N	444.491	4.544	50	40	IJGB	
O=C(Cc1ncc(C(F)(F)F)cc1Cl)NNc1ncc(C(F)(F)F)cc1Cl	12955960	ZBMANMNQAYBQTR-UHFFFAOYSA-N	433.139	4.507	50	40	IJGB	
Cc1c(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1	33371282	OBDDKDCTEACVLF-QQXSKIMKSA-N	426.476	4.599	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br	35252538	JBRGLNNMXFEZGT-ZVHZXABRSA-N	439.309	4.940	50	40	IJGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1	59333351	URYUBJLFTSCEIY-PLRJNAJWSA-N	437.543	4.830	50	40	IJGB	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O	64803350	MHURSXDQASKCTF-NSHDSACASA-N	432.229	4.508	50	40	IJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1	408807216	GNPALLSHRMTJIS-BFERYNQYSA-N	443.341	4.858	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1	408923530	JHVZPYDJUPKEJV-GXDHUFHOSA-N	448.391	4.626	50	40	IJGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(Br)s1	408999348	KMVJOHOBRVOZBX-BLLMUTORSA-N	442.549	5.000	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1	409144823	LESOGHAGYNUQMW-YDZHTSKRSA-N	427.298	4.719	50	40	IJGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Br)c1OC	409393649	YRADPYFALBPASC-QPEQYQDCSA-N	428.286	4.805	50	40	IJGB	
COc1cccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1OC	2433211	AJJPRQANPPCHPT-QGZVFWFLSA-N	441.940	4.577	50	40	IJGB	
C/C(=N/NC(=O)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)c1ccc2ccccc2c1	8780815	KWJRUHUWIDGAAM-ITYLOYPMSA-N	430.508	4.500	50	40	IJGB	
COCCn1c(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc21	102018486	VJXUAVNUIXYSLX-MYVXHDQYSA-N	436.562	4.685	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1ccc(C)cc1	408718673	SQROHIJRAYMFNN-IMRQLAEWSA-N	430.504	4.696	50	40	IJGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1c(O)ccc2ccccc12	408772062	MYFWNXIPXINVDE-SSDVNMTOSA-N	429.339	4.691	50	40	IJGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1	409254951	GLKXBDYDKHZPRE-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(C(=O)O)cc1	8861540	OIVAJSVLGITGSM-UKTHLTGXSA-N	437.795	4.752	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	9286852	OTFGZDZQFDITIL-OVCLIPMQSA-N	431.429	4.897	50	40	IJGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccccc2Br)c1O	10060116	JOECGEFMHVYUBA-DNTJNYDQSA-N	432.101	4.624	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)c1	35334947	KQLUZQSZBKOCHH-WSDLNYQXSA-N	436.518	4.763	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c2C)c1	106953466	CHHVIKFMGHFRRC-RWPZCVJISA-N	436.515	4.666	50	40	IJGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408708600	RBTKKTHJKWBGRB-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
COc1cc(C(=O)N/N=C\c2ccc3c(c2)CC(C)(C)O3)ccc1OCc1ccccc1	408710890	UWKHLUADMJHBSR-YUMHPJSZSA-N	430.504	4.752	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3C)c2C)cc1	408745995	PYMURBLBYVNQIL-UYRXBGFRSA-N	429.476	4.655	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408756177	OCPHUYITDGKLHX-GHXNOFRVSA-N	436.103	4.766	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	408891540	SEUSYNYYJCBTDR-XDHOZWIPSA-N	430.464	4.865	50	40	IJGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OCc1ccccc1	408894702	ISUNZLHKCHSCSG-AFUMVMLFSA-N	447.516	4.658	50	40	IJGB	
COc1ccc(OC)c(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)c1	408969915	WVSHTWAGLRAZNT-AFPJDJCSSA-N	439.320	4.998	50	40	IJGB	
CC(C)C[C@H](NC(=O)c1ccc(F)cc1)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409162954	JXSSVNUCPJYMJP-VATWTLTGSA-N	436.531	4.656	50	40	IJGB	
N#C/C(=C\c1ccc(OC(F)F)cc1OC(F)F)S(=O)(=O)c1ccc(Cl)cc1	2616832	RYHGTKCWIKJONG-VGOFMYFVSA-N	435.782	4.881	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(s3)CCCC4)c2C)cc1	12531837	SFUPNIPRNQSMGV-CVKSISIWSA-N	449.576	4.975	50	40	IJGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(F)cc2)c1)C(=O)Nc1ccc(F)cc1	35242347	ZANCWAGZSWMPRV-SFQUDFHCSA-N	433.414	4.528	50	40	IJGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1	98001311	NJNGMRCOJMVZLM-PXLXIMEGSA-N	433.530	4.925	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC	408541410	AQFYIAHVFKZIHA-PXNMLYILSA-N	439.899	4.848	50	40	IJGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2cccc(Cl)c2)C(=O)N1c1ccc(C)cc1	1888402	BBXIIOBUOSUWJV-UQNFDQQLSA-N	426.925	4.638	50	40	IJGB	
Cc1nc(Cl)c(C[C@H](Br)CBr)c(NCc2ccccc2)n1	2254573	BYDDQTQOWUEJJU-LBPRGKRZSA-N	433.575	4.751	50	40	IJGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1	16758916	QCLWHINDQOVTGA-SRIJWZPRSA-N	426.925	4.638	50	40	IJGB	
Cc1cccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)c1	408707600	KVKLZGUKIPYLHF-RWPZCVJISA-N	448.954	4.775	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2F)cc1	408709153	YDVGNUOEJSDYMH-RPPGKUMJSA-N	442.853	4.759	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCCC3)o2)cc1	408820061	SXJLRAQNQBLUNS-KAMYIIQDSA-N	430.302	4.587	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	408896563	RZSFOGGTEZMIAB-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccccc1	409083739	UJERVUDYJJQSIA-FOWTUZBSSA-N	430.376	4.841	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc(F)c1	409127169	IQMBLZJHLBPYHA-DEOSSOPVSA-N	432.451	4.727	50	40	IJGB	
Cc1nc(-c2nc(-c3c(C(=O)N/N=C/c4ccc(Cl)cc4)noc3C)cs2)cs1	1047827	SYPWELLPQQIMOI-QPSGOUHRSA-N	443.941	4.956	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)cc1	10315753	BIRKZAMDIJPLDP-STBIYBPSSA-N	436.515	4.653	50	40	IJGB	
CCOc1c(I)cc(/C=C(/C#N)c2cccc(C#N)c2)cc1OC	408565948	COEPQARBEUICQZ-PXNMLYILSA-N	430.245	4.634	50	40	IJGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1	408980696	SJCSSCXSCPPLQS-JZZXMACJSA-N	445.519	4.593	50	40	IJGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1cccc(I)c1	409124273	AXXKPOWRBTXPMK-ZXOFLVKFSA-N	438.334	4.621	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cc([N+](=O)[O-])ccc1O	38534832	YTIDHIZMUVXONJ-CVKSISIWSA-N	441.443	4.797	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)c1C	106953478	WWSGQYNWBXLSGO-RWPZCVJISA-N	436.515	4.666	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1Cl	408588244	IOIMXFIELKDRKG-YSURURNPSA-N	430.291	4.894	50	40	IJGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(I)cc1	409129723	SFJNBDYZBCWCAP-GNUZOCDUSA-N	438.334	4.621	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)n1	409227632	RBOSULAJXQUWOT-VULFUBBASA-N	443.576	4.647	50	40	IJGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	58985625	ULKCTKREMJIWPG-AFUMVMLFSA-N	426.303	4.939	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	59386466	DIJCONCFTBUENO-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	59464680	WFOJKAZLSFTFFV-JVWAILMASA-N	429.545	4.988	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1ccc(Cl)cc1	408707587	KSSOCFYKBSXTCW-BRJLIKDPSA-N	445.281	4.965	50	40	IJGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1	408838336	DPKHWVSIHUKDRK-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c(OC)c1	408871271	WPOGBCYAEWSKRZ-FYJGNVAPSA-N	446.478	4.645	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC	713344	XULUJEUATVEHMU-DEOSSOPVSA-N	443.547	4.953	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OCc1ccccc1	6014869	ZUCDCMNTUCZEHJ-FQEVSTJZSA-N	430.508	4.513	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3F)C3=C(CCCC3=O)N2)cc1	13174653	SFEIFTPLIHIRNF-HSZRJFAPSA-N	447.535	4.935	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NC1CCCC1	59245182	YUMJZXSZYWEFLI-AQTBWJFISA-N	425.326	4.994	50	40	IJGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(NC(=O)c3ccccc3)cc2)cc1	59474285	GGTAPRWOTULXLA-OVVQPSECSA-N	447.560	4.721	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1cccnc1	408944652	NCVNGKGKVXYZKY-MYKKPKGFSA-N	437.297	4.762	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)C(=O)NCc1ccccc1	409040717	HUMOYXVYKAQJTM-DEDYPNTBSA-N	445.906	4.581	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(Cl)c2)cc1OCC	409311327	ZIAZYWUJPAZKSH-FMCGGJTJSA-N	425.312	4.953	50	40	IJGB	
O=C(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](Br)CBr	575362579	AXCQANVXJLRKAZ-QMMMGPOBSA-N	438.863	4.809	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2c(O)c(Br)cc3oc4c(c23)CCCC4)cc1	2288575	CXKOBBSAIYRUQK-FOKLQQMPSA-N	443.297	4.552	50	40	IJGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2342777	XIUKQCSVWMGFEU-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
C=C(C)CNC(=S)NNC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21	8685893	BJDAMNJVLKVXGG-UHFFFAOYSA-N	435.380	4.563	50	40	IJGB	
Cc1ccc(C2=CS/C(=C(\C#N)C(=O)CN3CCC(Cc4ccccc4)CC3)N2)cc1	97819747	MSZDTEQYVGOGCK-WNAAXNPUSA-N	429.589	4.889	50	40	IJGB	
O=C(NNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	98045001	VTCSLCDOBUOEHB-UHFFFAOYSA-N	444.253	4.818	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC#N	408796149	NIVAMHKYTZNUAH-MHWRWJLKSA-N	440.297	4.604	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2)c1	409262396	IJJKBJQADILCGF-DEDYPNTBSA-N	441.487	4.572	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)c1C	409262621	GCZRHSDHQWADCX-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC)cc1OCC	409310397	BAGMRITWKLRRQI-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
COC(=O)c1ccc([C@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	409325774	AXCTYJFNTDXPSC-OAQYLSRUSA-N	428.513	4.898	50	40	IJGB	
CCCCOCCO[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615214	CELYSLKKVPJECL-BZNIZROVSA-N	438.156	4.836	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1C	409006990	LZWVQEPGPANDLZ-WOJGMQOQSA-N	430.416	4.506	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409131440	XXWRSLQKQLFMJU-ZWKOTPCHSA-N	447.343	4.665	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	1062730	RFCRHNUOJQCMEU-CPNJWEJPSA-N	432.451	4.968	50	40	IJGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/C=C/c3ccco3)nnc2-c2ccccc2)cc1	1825706	SRUPAXPXBQFDKB-IHGQSFPHSA-N	443.532	4.743	50	40	IJGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3ccccc3Br)cc2)c1	3175184	UGKWVRHQDHCGJV-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2cc([N+](=O)[O-])ccc2s1	33469723	JOMJMFTZVJPJMQ-NHDPSOOVSA-N	436.405	4.742	50	40	IJGB	
Cc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98042962	SSQDRHZJNOWMOD-CABCVRRESA-N	427.092	4.986	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CCCCC2)cc1Cl	408708584	QUHGDYJPCQQGIU-DHRITJCHSA-N	447.366	4.944	50	40	IJGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408726405	NNNPUXGYTUHMFA-PGGKNCGUSA-N	432.263	4.544	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccccc1	409238062	KCHINWQJYRTAIW-PVFDWLMNSA-N	426.472	4.748	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)sc(C)c1C	1453431	YKJIWHOUISPYJW-LICLKQGHSA-N	442.537	4.883	50	40	IJGB	
C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccnc1	8431418	QSDITAUFPWORBL-JVWAILMASA-N	449.967	4.766	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(F)cc1	8812155	PZRVSOVAVSJBFL-UFFVCSGVSA-N	432.205	4.520	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1	9693416	VGVAKJJKEHLMQS-SFHVURJKSA-N	440.366	4.977	50	40	IJGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1	11853109	OVMVDGFUWLMVGO-RAXLEYEMSA-N	434.408	4.940	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1	13345046	SZBOBJRQRCHBBE-CPNJWEJPSA-N	428.444	4.518	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC(C)C)c(OC)c2)sc(C)c1C	33339716	YKJIWHOUISPYJW-YVLHZVERSA-N	442.537	4.883	50	40	IJGB	
N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl	59105241	XPTAAAFQUMFMDI-SXGWCWSVSA-N	439.302	4.643	50	40	IJGB	
O=C(CNc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	59514212	USMBPMBZPPOCMD-AFUMVMLFSA-N	438.325	4.590	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	408791346	WGTPBWWDXWBQQL-RCCKNPSSSA-N	442.471	4.908	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	408792008	GMOYQPGVUVJEMD-OVCLIPMQSA-N	433.291	4.789	50	40	IJGB	
Cc1cc(NC(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)ccc1Br	408904319	HWEIFTGHCNAJBH-SSDVNMTOSA-N	442.269	4.871	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccccc1Cl	409063193	IJEFEHMGSNDZKU-KSEXSDGBSA-N	446.732	4.980	50	40	IJGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(OCc3ccccc3)c1)C(C#N)=C(N)O2	705900	ZQNJDPYCCVLNAB-VWLOTQADSA-N	434.499	4.978	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3cc(C)c(C)cc3nc2Cl)C(C#N)=C(N)O1	899590	WJWHDECTYOOIAH-LJQANCHMSA-N	425.916	4.928	50	40	IJGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21	2339889	GITKSSZXRMZMPM-QYQHSDTDSA-N	438.314	4.603	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2	4062337	WCEAAKVVKGVKHK-KKMKTNMSSA-N	443.425	4.534	50	40	IJGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@H](Br)C2=O	8433137	HIUVZFSAJLHFJR-JLZZUVOBSA-N	429.152	4.547	50	40	IJGB	
CC1(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)SCCS1	9601279	REDYAEQOVWTDHD-FYJGNVAPSA-N	428.608	4.637	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1OC	10004049	PVGWONXFIXQHOV-LQKURTRISA-N	441.531	4.708	50	40	IJGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1	18210758	LGJFMEHYWKEBCG-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1	34196401	VPWJVGZOYKWVGS-ROTLSHHCSA-N	430.386	4.785	50	40	IJGB	
CCOc1ccc(-c2csc(/C(C#N)=C/c3cc(C(=O)OC)cc(C(=O)OC)c3)n2)cc1	44835401	SFAVKWWWBQLDEQ-YBFXNURJSA-N	448.500	4.846	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)OC)cc3C)o2)cc1	408742435	AJJBZYRMQBYWSI-JXAWBTAJSA-N	430.460	4.986	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C	408744199	JOFHLQDIOOIEAD-UNOMPAQXSA-N	430.464	4.865	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)c(OC)c1	408875145	GIXFLCSCAKSNIF-FYJGNVAPSA-N	446.478	4.645	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408971470	OZLVEBXROOVYAS-MYYYXRDXSA-N	433.464	4.645	50	40	IJGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C(=O)OC)cc(C(=O)OC)c3)n2)cc1	9075532	VEIGPXCHHDRFOZ-UYRXBGFRSA-N	447.516	4.922	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccsc1	9291057	CBSZJDWZSGDCIU-HXUWFJFHSA-N	426.501	4.935	50	40	IJGB	
CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)c2C1	9362788	UEFRJCRGEMBCRI-GTPWMTBTSA-N	432.572	4.517	50	40	IJGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2C1	12251128	CCFKNQZVPWCBID-MRXNPFEDSA-N	440.912	4.776	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C	59335426	QWIPIRRCFNGVSH-UNOMPAQXSA-N	430.464	4.865	50	40	IJGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br	409190825	WPFFVBDVEHWKQS-GHXNOFRVSA-N	442.151	4.576	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccccc1	409238820	MBCMIRHWXYNDSF-JYBCESJWSA-N	426.472	4.748	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(=O)N1CCOCC1	409327274	RWVGXLYNGQLMFW-CJLVFECKSA-N	442.515	4.540	50	40	IJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	409378459	PLEVAZINDGBHQM-HKNSOBRKSA-N	425.312	4.708	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(OC(=O)c2cccs2)cc1	2311259	CLUJYUSBKJGIEG-ZVHZXABRSA-N	431.473	4.695	50	40	IJGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c(C)cc1[N+](=O)[O-]	9191053	BBVNKDLJWZXLLX-GXDHUFHOSA-N	437.437	4.920	50	40	IJGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1sc2cc(Cl)ccc2c1Cl	12923394	CABJWWUODJRQFG-VIFPVBQESA-N	427.284	4.576	50	40	IJGB	
Cc1ccsc1/C=C(/C#N)S(=O)(=O)c1cc(Br)ccc1Br	33417426	UVMWFXZNYLHDHI-XFFZJAGNSA-N	447.173	4.920	50	40	IJGB	
N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1cccc(Br)c1	409326750	NOWLZFMBILPODQ-INIZCTEOSA-N	444.310	4.629	50	40	IJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	409381327	FJQCFHPOOZILMJ-AFUMVMLFSA-N	438.325	4.590	50	40	IJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	27026901	WKUKELTZLUATJV-AFUMVMLFSA-N	445.866	4.865	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1F	28216159	JXCLPTJKBJERQN-WYMPLXKRSA-N	440.500	4.525	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2	59266571	YARZFTUIKIXPJZ-RGVLZGJSSA-N	446.890	4.871	50	40	IJGB	
Cc1ccccc1-n1cccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408569466	NYOBWDJGLCPICN-BUVRLJJBSA-N	437.590	4.793	50	40	IJGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1C	408590184	NZHXTAZJVSVMDQ-CVKSISIWSA-N	437.927	4.617	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)cc2)cc1OCC	409326097	GTYCSJZLUPUYRJ-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
COc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NCc3ccco3)c3ccccc32)cc1	781395	UASRIFHXNYNMTD-XDJHFCHBSA-N	441.487	4.545	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1C	13513587	MYSDOHSONMZVQZ-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1	17103286	GUEFBCTVAXVWRK-MUFRIFMGSA-N	439.437	4.860	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cc(Cl)cc(Cl)c1	28217082	MGEIAOFOZDQJSC-YIQTUUEOSA-N	444.318	4.691	50	40	IJGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccccn2)c1Cl	408815294	HFHNHTWDEOFPAY-BHGWPJFGSA-N	447.278	4.666	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	409268374	ZGVYFYGVEYHHLD-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OCC	409302536	JDVZTWXEQLNDLD-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1	409313373	OIZWPINXNULDQL-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409364226	NQTXXOAKSXOCOF-WYMPLXKRSA-N	431.275	4.717	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCCOc3cccc(OC)c3)cc2)cc1	12285282	MSQJHOBKCVVTHS-CAPFRKAQSA-N	444.487	4.707	50	40	IJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	19927858	VSELQXVPIJYBCL-HEHNFIMWSA-N	444.535	4.599	50	40	IJGB	
N#C/C(=C/c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccccc1Oc1ccccc1	33467010	OGXIMKABRYMKFL-YBEGLDIGSA-N	429.388	4.661	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCC)cc1	408763181	RPOYZDSMKHEDSY-LFIBNONCSA-N	443.297	4.570	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1	408776048	MRZOKHCJLDIAKF-SUOUMBACSA-N	429.545	4.615	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	408800129	KUUKOVLMDMJENG-FOWTUZBSSA-N	427.298	4.958	50	40	IJGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccccc3C(=O)O)o2)ccc1Br	408903962	BTPVVMHVVKKDIH-JJFYIABZSA-N	442.269	4.871	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@@H](O)c1ccccc1	409142675	FNJVZAMYPQGMMH-LHXREVONSA-N	429.303	4.756	50	40	IJGB	
CCCCN1C(=O)/C(=C\Nc2ccc(Cl)cc2Cl)C(=O)N(CCCCl)C1=O	8431328	OEZLAHJASZQPJM-ACCUITESSA-N	432.735	4.509	50	40	IJGB	
CCOC(=O)CSC1=N[C@](c2ccc(C)cc2)(C(F)(F)F)N2C=CC=CC2=C1C#N	14181586	BGLKSXUKMYJFSN-FQEVSTJZSA-N	433.455	4.582	50	40	IJGB	
C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1	15931168	ZGHVSTULTOWMPM-FFGRAEKCSA-N	439.899	4.801	50	40	IJGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	58913798	PCKJMLSIPMINTP-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
C[C@@](Br)(CBr)CC[C@@](C)(Br)CBr	104149843	QSMYVVWMTNSLOB-OCAPTIKFSA-N	429.816	4.864	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(O)c(Br)c1	229845639	MHOKSLTXMAPMKM-SDQBBNPISA-N	436.103	4.771	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409213276	UBYBTHHYOUECJA-FOKLQQMPSA-N	428.897	4.849	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cc(Br)ccc3O)cc2)cc1	13101394	KLFNOLMMLVXFON-ZMOGYAJESA-N	439.309	4.806	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccccc1O	32116860	VQHXZFNGWVWLTO-WSDLNYQXSA-N	427.869	4.869	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1	33492385	ZTTQEXKDOLEWPW-CEUNXORHSA-N	437.543	4.789	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc(C(=O)O)c1	33732688	NVNJLMKTYDJTPW-NTEUORMPSA-N	437.795	4.752	50	40	IJGB	
COc1cc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc([N+](=O)[O-])c1O	36160040	XBUUMBHSKURXKE-NSIKDUERSA-N	447.428	4.603	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Br)c1OC	139429798	PNXYRDJAYIACRO-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2O)cc1OC	408583883	YFJJWZHYDHWXDA-LFYBBSHMSA-N	439.103	4.999	50	40	IJGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408676187	GRRKBMIHNDHGJM-OEAKJJBVSA-N	430.346	4.600	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(Br)c1OC	409223936	HTALGRBRTBVCBB-ZVHZXABRSA-N	441.325	4.702	50	40	IJGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C\c1ccccc1O	13775461	WHZDAYAPWKMWAN-WJDWOHSUSA-N	436.464	4.982	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	408592442	YEQCPGJJJNSWER-ZVHZXABRSA-N	440.341	4.558	50	40	IJGB	
C/C(=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1c(C)nn(-c2ccccc2)c1O	408957052	SDPGKXNBXXKKCT-KPQXCZDLSA-N	447.322	4.501	50	40	IJGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c1	2325394	LUGHFTVAPWVDKB-KRWDZBQOSA-N	441.940	4.577	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)cc1OC	6135433	UIONHOMYTFTCFB-LJQANCHMSA-N	449.576	4.876	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OCc1ccccc1	13085895	CLVUWRSJDNWFQP-FQEVSTJZSA-N	430.508	4.513	50	40	IJGB	
[N-]=[N+]=N[C@H]1OC(=O)C(Cl)=C1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	73294762	BTOQNPHNTXVOMO-NRFANRHFSA-N	434.823	4.808	50	40	IJGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	109041554	RYMSYFNLQHSUPP-ZVHZXABRSA-N	435.505	4.557	50	40	IJGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1ccc2c(c1)OCO2	207053023	CEYDQPGHDYZXPV-FYJGNVAPSA-N	435.483	4.642	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Br	408746154	XOQRBXVGWHMCJG-VBKFSLOCSA-N	427.298	4.958	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCC#N)cc1Cl	408986702	DAZYLLXQUDEHMZ-ZSOIEALJSA-N	430.689	4.859	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1Cl	409124444	HSIIGJOVVRTVMZ-HSZRJFAPSA-N	434.879	4.851	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	409378458	PLEVAZINDGBHQM-HJQVIKLGSA-N	425.312	4.708	50	40	IJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1	3210514	LPTMQHGIGUVSKU-BUVRLJJBSA-N	426.436	4.603	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1	8811072	JWSXBMUWZFRGRZ-DHRITJCHSA-N	425.916	4.837	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	26123376	QUKBCPASPAZFPG-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	100961191	HBXIKIIGUXLJAH-UDWIEESQSA-N	434.455	4.508	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	108246337	XBDFNNUBVMTTTD-XMHGGMMESA-N	429.432	4.685	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2cccs2)c1	408708832	UFESKNGUTSQNBW-BRJLIKDPSA-N	440.956	4.528	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nn2-c2ccc(C)cc2)cc1	408725940	QXSCWNSHPDFOBD-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c1	408866998	HVAXHKBQNWTFAE-CXUHLZMHSA-N	446.288	4.798	50	40	IJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1	408933934	CFOXFOQSRAHSCW-QNGOZBTKSA-N	446.528	4.871	50	40	IJGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC	409049752	ZXIWFDLJPXVLLC-VEILYXNESA-N	435.483	4.686	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	1065512	VIKKMHKPUMWBEC-NRFANRHFSA-N	432.455	4.675	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)cc1C	13942808	IMIQOKFGGXKBPX-WOJGMQOQSA-N	430.416	4.506	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1C(=O)O	409203260	VBKKWYDNSSPVKQ-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409361356	GZSSVVGQQWKPNY-WYMPLXKRSA-N	431.275	4.717	50	40	IJGB	
COc1ccccc1OCCCOc1cccc(/C=N/NC(=O)c2cccc(Cl)c2)c1	13942483	UVYBYJLKYATDOG-YZSQISJMSA-N	438.911	4.960	50	40	IJGB	
Cc1c(Cl)cccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1	59401480	FXXVXWMVMUTIGL-UHFFFAOYSA-N	447.988	4.670	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	107821483	JOSWHZHGWRHEHW-AEOXGOBCSA-N	427.482	4.759	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)O)cc1	408967201	QNHMWLXAAMYJKT-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1	409008657	ZJEWSUIAYCPKGM-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)o2)c1	409156853	HDNNGRFWLUGTNU-JVWAILMASA-N	442.471	4.806	50	40	IJGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1	4643033	LIYQVVZGBVGODT-CVKSISIWSA-N	427.460	4.816	50	40	IJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Br)c(Br)c1	20195506	FIYZMABUUPOTFV-FYJGNVAPSA-N	438.163	4.911	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	107821472	JOSWHZHGWRHEHW-UMYHVIPVSA-N	427.482	4.759	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1	408545282	XIWXLFZXCGDNBL-VBKFSLOCSA-N	441.443	4.535	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OCc1ccccc1	408676401	IHPORZIIENGTLT-OVVQPSECSA-N	429.520	4.638	50	40	IJGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409322619	KEAMTOXNXJAGEJ-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)cc1)C(=O)Nc1ccc(F)cc1	409377414	HHADFJABTUXVGL-GHRIWEEISA-N	433.414	4.528	50	40	IJGB	
O=C(c1ccc2c(c1)OCCO2)[C@@H](Br)[C@H](Br)c1ccccc1	2275929	PAEYQESFSZSVTP-CVEARBPZSA-N	426.104	4.540	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc([N+](=O)[O-])c4)CC(=O)N3C2)cc1Cl	12251122	IAIGNDGTJNEMKU-QGZVFWFLSA-N	440.912	4.776	50	40	IJGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240587	CCEGTNAKMYCJKN-ZTKZIYFRSA-N	441.575	4.914	50	40	IJGB	
O=c1c2ccccc2c(=O)c2c1c(NCCBr)cc1oc3ccccc3[nH]c12	100142139	CQSWNRQATXGYES-UHFFFAOYSA-N	435.277	4.748	50	40	IJGB	
CC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3ccc4c(Cl)ncnc43)[C@@H]2O1	196123223	PTFANUVYJLNMOM-ATNYBXOESA-N	440.016	4.524	50	40	IJGB	in-vitro
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)c1O	408727975	YUSLVGWFAHNJOC-JVWAILMASA-N	440.503	4.634	50	40	IJGB	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1)c1ccccc1O	2754455	ICRXMWGZJVEBCK-WYMPLXKRSA-N	443.272	4.637	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1ccccc1Br	26123492	MUWYZRIBWFNHPY-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)c1	33668837	QXOSCOKZVZVOCV-RWPZCVJISA-N	442.494	4.859	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC[C@H]1CCCO1	207158794	ATZUATLKZLYPMV-RPXHZFJKSA-N	431.319	4.775	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccccn1	408555828	YIKUFQJDYRGVGT-LDADJPATSA-N	427.533	4.847	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408744014	DEURTLIXTWKASI-UYRXBGFRSA-N	429.432	4.728	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)NC1CCCCC1	408802033	YDUYJVUCGVHHHU-QGOAFFKASA-N	437.927	4.713	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	6577970	JEPDSQBXBAVXBW-SFHVURJKSA-N	425.941	4.877	50	40	IJGB	aggregator
Cc1ccc(Nc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)s2)c(C)c1	8686135	XNIURNZNOULUOQ-UHFFFAOYSA-N	434.550	4.833	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	9312917	YKRDFQUAECVAGY-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
O=C(N/N=C\c1cccc(Br)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1	30750368	BZYLGOULNLFDGF-NKVSQWTQSA-N	438.112	4.910	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408676457	IYPZLIYPCNCMOW-FYHAJLKWSA-N	429.948	4.890	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)cc1	408746059	QMBUMASTDKCWKD-PDGQHHTCSA-N	446.463	4.565	50	40	IJGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1	408841327	FJYKOLDSIYYQQX-NZTOXLHLSA-N	448.320	4.865	50	40	IJGB	
COc1ccccc1C(=O)N/N=C/c1cc(Br)c(Sc2ccccc2)o1	409000597	ZCWPAULVNGBWRO-CIAFOILYSA-N	431.311	4.966	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1O	409017723	GUXZZQBYQGYVAK-NKVSQWTQSA-N	437.677	4.717	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1	409064120	GJKNEBJPBVHEPG-GHRIWEEISA-N	438.892	4.653	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)cc1C	409267975	YKQKPEGXRVIHFY-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)c(C)c(Br)c2)c1	409366185	SVGURLASHKSHDW-FBHDLOMBSA-N	438.163	4.830	50	40	IJGB	
O=C(NNc1c(F)c(F)c(F)c(F)c1F)C1C[C@@H]2CCC[C@H](C1)C21SCCS1	28337689	LGZOLTXYVKBJPC-PBINXNQUSA-N	438.487	4.828	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1F	59334814	DHNMHMBNMATISU-WQRHYEAKSA-N	443.316	4.891	50	40	IJGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1	59464678	PXDRCNPSGULTIT-JVWAILMASA-N	429.545	4.988	50	40	IJGB	
O=C(c1ccc(F)cc1)[C@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1	98042959	NLVLJSSQFKQBME-UONOGXRCSA-N	431.055	4.816	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)[C@@H]1COc2ccccc2O1	408862058	WTHYPPILUITTAL-YYKYCJCRSA-N	438.483	4.709	50	40	IJGB	
Cc1ccc(COc2ccc(Cl)cc2[C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	639210	GZORFOKOAOHNQJ-OAQYLSRUSA-N	434.879	4.707	50	40	IJGB	
Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)c(Br)c1	943549	RDJGOFUKUFPKJR-XMTZNVEYSA-N	427.298	4.534	50	40	IJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(Br)cc3)CC(=O)N2C1	9693410	HIUQGWNCWCUYTB-KRWDZBQOSA-N	440.366	4.977	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccccc1	408775038	ZYZIMCXQKGPLQR-ZDLGFXPLSA-N	443.341	4.858	50	40	IJGB	
COc1ccc(/C(C)=N\NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1OC	408956276	QJYZSSDVKTZSIH-USHMODERSA-N	446.547	4.949	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(Br)c1OC	409052448	SQXNOZDIMXDVJH-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
CCC/C(=N\NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1C)c1ccccc1	13750557	WSSSUKHUKBXPRF-PTGBLXJZSA-N	427.961	4.548	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2O)c(C#N)c1C	408546182	DUEGNWBROFPADH-UUILKARUSA-N	449.315	4.836	50	40	IJGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(Br)c3)c2)cc1	408878623	CILKNLHMWCATAU-ZVHZXABRSA-N	437.293	4.741	50	40	IJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1	408892552	CAKPZNRHAKSBDJ-LTGZKZEYSA-N	446.528	4.871	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)NCCc1c[nH]c2ccccc12	408950446	KHPPMVLPRGUDBP-IWIPYMOSSA-N	446.510	4.884	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1	409049440	QVUYFJDLOXILMF-QGOAFFKASA-N	431.879	4.903	50	40	IJGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC	409053059	JSDMJAYDBNSOOZ-SSDVNMTOSA-N	439.737	4.972	50	40	IJGB	
Cc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	409251041	NZVGEIUGWZCLSN-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)[C@H](O)c1ccccc1	409271506	LTVMRHNTASSYNG-RNRKLAHPSA-N	429.303	4.756	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1	1192056	GIGWTSCIDJQWEX-UYRXBGFRSA-N	430.464	4.865	50	40	IJGB	
CCCCCOc1ccc(/C=N/NC(=O)COc2cccc(Br)c2)cc1OC	3080344	NILPXKLDZKJYTL-OEAKJJBVSA-N	449.345	4.556	50	40	IJGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1	9136758	DIOICTVIHKTOPH-UHFFFAOYSA-N	433.599	4.871	50	40	IJGB	
N#Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)cc2)cc1	9204341	ABAXBACJGUMUGH-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1	9971623	UTRFQOVHEJZLQR-OPEKNORGSA-N	447.369	4.711	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2cccs2)cc1	17097803	WDUBNZPVSZLQSQ-SRZZPIQSSA-N	432.299	4.510	50	40	IJGB	
CCOc1ccc(C(=O)NNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1	29675146	QIGQXCWDMYEECE-UHFFFAOYSA-N	447.516	4.594	50	40	IJGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccccc1C	226335244	SIZLCWAWDHSXNA-BQYQJAHWSA-N	442.680	4.966	50	40	IJGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Br	408765389	PGWYYHJRXBJYOJ-JYRVWZFOSA-N	449.146	4.823	50	40	IJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)c(Br)c2)c1	408775619	JFVZTPRNNTVNOG-YBEGLDIGSA-N	428.330	4.848	50	40	IJGB	
N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br	408811454	LLNTYAYRLCOEFC-GHXNOFRVSA-N	434.652	4.690	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OCc1ccccc1	408814346	GWHSTLCFJKBGDN-HAHDFKILSA-N	442.515	4.896	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1O	408846620	QTDIDOGJXXWZHH-NKVSQWTQSA-N	437.677	4.717	50	40	IJGB	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br	409231147	IGJCDNAVJPJOHV-UYRXBGFRSA-N	427.342	4.892	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)n1	409232824	SIAUYWINPYXWCC-UFFVCSGVSA-N	432.958	4.733	50	40	IJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1	3089718	MOANYRSGBNBHIP-LQKURTRISA-N	438.531	4.994	50	40	IJGB	
CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1cccc2ccccc12	8809593	DYSXGTXFIZNRKP-YZSQISJMSA-N	448.523	4.904	50	40	IJGB	
COc1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)c([N+](=O)[O-])cc1OC(F)F	13022111	WHLFZRYPXZUHDJ-DUXPYHPUSA-N	427.787	4.588	50	40	IJGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1	13055570	DMANPNININSWMG-QFIPXVFZSA-N	447.560	4.951	50	40	IJGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	13922138	VNGUJBABXQVLMN-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)c([N+](=O)[O-])c1	20760228	YITLQHURCIFIGD-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1I	408569702	POWVMQAHDDVXSE-GHXNOFRVSA-N	433.224	4.769	50	40	IJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1OCc1ccccc1	408887558	RPSYUIXNAMOHTA-XSFVSMFZSA-N	428.444	4.518	50	40	IJGB	
Cc1[nH]nc2c1[C@@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)C(C#N)=C(N)O2	409139103	MMNXUTPGWQFLFV-SFHVURJKSA-N	445.281	4.961	50	40	IJGB	
Cc1c(/C=N/NC(=O)[C@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl	409254134	HTTAMOBMHMNQEO-CYUILNSLSA-N	431.923	4.835	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)c(C)c1	409256074	JOSOFWGTGJLUAW-OEAKJJBVSA-N	439.515	4.544	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1	20198201	XEAFZRIMGVLOLQ-MFKUBSTISA-N	434.496	4.863	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(O)c3)o2)cc1	33763790	AIEORZCKEWEOMJ-YSMPRRRNSA-N	429.476	4.736	50	40	IJGB	
BrCCCCCCn1nc2c(Br)ccc(Br)c2n1	95830651	VWPRIVLLHDPAJM-UHFFFAOYSA-N	439.977	4.912	50	40	IJGB	
FC(F)(F)C1(C(F)(F)F)O[PH](c2ccccc2)(c2ccccc2)c2ccccc21	104230035	VZEKPSJZSFKSDY-UHFFFAOYSA-N	428.312	4.978	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3c(OC)cccc23)c1	105799681	LUJPQWGSVROVNN-CVKSISIWSA-N	429.476	4.625	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)c1	109046707	ZKUCRWSBDWMQND-MZJWZYIUSA-N	449.894	4.572	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	408993694	FBAWHEHBPLMSEP-DICXZTSXSA-N	427.504	4.536	50	40	IJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(SCC(=O)Nc2ccccc2)o1	3660082	ZCDHVSBCFFUBGM-WGOQTCKBSA-N	443.528	4.856	50	40	IJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2C(F)(F)F)c1	9812451	QGHPQVNHOULNPN-ZHZULCJRSA-N	431.439	4.776	50	40	IJGB	
Cc1ccccc1[C@H](C)NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1	24767515	DHOWSVPAUOLUNY-VUVCFOEZSA-N	435.325	4.932	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3OCc3ccc(C)cc3)n[nH]2)cc1	30743065	KVCZYWQWGRZIAB-YUMHPJSZSA-N	440.503	4.737	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(F)cc1	408589100	KPUKZPVCRRWKDU-VULFUBBASA-N	430.439	4.809	50	40	IJGB	
COC(=O)c1ccccc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1	409193669	KZXKIQUDEWZVED-FMCGGJTJSA-N	449.444	4.620	50	40	IJGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1Br	671992	FUYMCNVPRPHFJR-DNTJNYDQSA-N	432.101	4.537	50	40	IJGB	
Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2	8442832	FLJDKWSIFOWUGO-LJQANCHMSA-N	434.521	4.906	50	40	IJGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc(-c2cc3ccccc3oc2=O)cs1	9056870	AEABDZOHTKHFDL-LHHJGKSTSA-N	445.412	4.618	50	40	IJGB	
COC(=O)COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Br	35168597	VBZCNVKLCZSKON-OVCLIPMQSA-N	440.297	4.558	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1	409138444	BUXRDCRWMIDVEY-HSZRJFAPSA-N	449.938	4.658	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)[C@@H](O)c1ccccc1	409271505	LTVMRHNTASSYNG-LHXREVONSA-N	429.303	4.756	50	40	IJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)o1	1454163	GKLKSPOXWHJHTC-NTEUORMPSA-N	428.311	4.944	50	40	IJGB	
N#C/C(=C\c1cc(Br)ccc1OCC(=O)O)c1ccc(Br)cc1	408581654	YLNGLDDIZJSSOW-NTUHNPAUSA-N	437.087	4.739	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408850064	FDFHJFDAMZOZIL-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(Cl)c1	2078176	GVOPUYMZRMGQEZ-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Br	9261954	FMGPFZSYZMTJRR-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1	12464045	QZYZVJDTZPIPGW-JVWAILMASA-N	434.503	4.796	50	40	IJGB	
COC(C)(C)CCOc1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1	20133485	AMXFFZSZXWDLNH-HNNXBMFYSA-N	429.380	4.848	50	40	IJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1	20238298	ANRYYGWTHWHJNO-GOSISDBHSA-N	440.366	4.664	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1	3115589	GJVYUQHAGBGLAV-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	28216293	QUPCPBOBZVSEOG-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	100071272	YSOPTHGVPUUTJL-VBKFSLOCSA-N	428.473	4.851	50	40	IJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc21	208204498	KQZWEMTUZMFVEU-GMJSKMFWSA-N	444.373	4.700	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)cc1	408598423	AEJWQVMJFYOGFW-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(OC)c2)c(OC)cc1Cl	408834153	UMRAUXDXFZYXOM-OVCLIPMQSA-N	430.888	4.699	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409223631	IYWWFVMXDQDRDF-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)n1	409232590	ACKYIQNUPGSSGA-DHRITJCHSA-N	435.597	4.867	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1	409311152	FOCCEKVDPBSMAE-QGZVFWFLSA-N	425.941	4.667	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(F)c1	716154	GNOFTERQCAPNQV-HSZRJFAPSA-N	448.494	4.864	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1	8861405	HKAASHPFFOTJNR-BKUYFWCQSA-N	442.471	4.908	50	40	IJGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)C2=C(CCCC2=O)N1	13174644	KCDXMZJOKUHVAC-QHCPKHFHSA-N	447.535	4.935	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cn1	32138965	YXLUSRLFRMLITL-WGARJPEWSA-N	442.431	4.708	50	40	IJGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(I)c1	59382512	QSDGWGZKRTYBJB-HYARGMPZSA-N	442.256	4.847	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)cc1	408963830	AIFOTVLHDMSOKA-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccc(Br)c1	1440392	LTSUUBAKXQVPJH-HNNXBMFYSA-N	427.689	4.711	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(/N=C/N3CCCC3)Oc3c2c(C)nn3-c2ccccc2)cc1	9216203	RTSROBOITGWNOH-QQNPRBCQSA-N	439.519	4.573	50	40	IJGB	
O=[S@](O)CCCCSSCCCCSSCCCC[S@](=O)O	17190188	FLBVFDQMDXHVAW-UHFFFAOYSA-N	426.738	4.533	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1	59335251	PBNKCFXGSFGKKV-ZSOIEALJSA-N	430.689	4.859	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)NC3CCCC3)cc2Cl)cc1	409194212	PCJJCVOHNJRHQU-PDGQHHTCSA-N	437.927	4.632	50	40	IJGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1c(Cl)cccc1Cl	3084195	DWYIELJHKDAQHX-UFFVCSGVSA-N	443.128	4.625	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1cccc(C(F)(F)F)c1	9933372	ISJROOLNJMXOSM-KPSZGOFPSA-N	440.013	4.587	50	40	IJGB	
CC1=C(C#N)C(=O)N(CC(C)C)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1	101144945	WMRHOXJJWOKTRF-VCHYOVAHSA-N	439.309	4.957	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccc(F)cc1	408570512	WECIUPJLJRCISQ-ZVHZXABRSA-N	441.553	4.624	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C	408817623	NQGPMHNTVIVTKE-CFRMEGHHSA-N	432.436	4.521	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(C#N)c2)c1	8811107	ASSAKQBZBIXZKN-MZJWZYIUSA-N	449.894	4.572	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3C)c2C)cc1	20197732	NILXKSLXKDVZSB-MFKUBSTISA-N	434.496	4.863	50	40	IJGB	
O=C(N/N=C\c1cccc(O)c1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1	30743039	IXRGESMPNIOQSF-WGARJPEWSA-N	446.894	4.779	50	40	IJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc21	208435583	IDFOGKVDSGAASS-ZMOGYAJESA-N	442.357	4.610	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408568315	IXUBOKMGMUQBLH-BRABVMKYSA-N	430.595	4.872	50	40	IJGB	
CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1Br	409051900	OIOLWOLQMVTHAJ-SSDVNMTOSA-N	439.737	4.972	50	40	IJGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCC3)c2C)sc(C)c1C	409204519	HUQTUUDILHDVDO-WOJGMQOQSA-N	425.554	4.525	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)ccc1OCc1ccc(Cl)c(Cl)c1	13424147	ZGGDALLPAFEJGA-LICLKQGHSA-N	449.334	4.641	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Br)c1OC(C)C	16688289	CHWFTMUAYFOCQW-OQLLNIDSSA-N	445.313	4.886	50	40	IJGB	
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N\NC(=O)c3ccccc3Cl)c2)cc1	28616310	AGDGLUVIZMNNPD-BVRFCPFQSA-N	434.879	4.731	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OC	33965411	HHZGLSMXFTXWJM-LJQANCHMSA-N	437.293	4.838	50	40	IJGB	
CCN(CC)C(=O)c1ccc(N2C(N)=C(C#N)[C@@H](c3cccs3)C3=C2CCCC3=O)cc1	96136987	WRJJNBWGBRWYQA-QFIPXVFZSA-N	446.576	4.535	50	40	IJGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	408814823	SJEOSNCFSJYUQL-IWTYOZGTSA-N	442.151	4.519	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)cc1C	409113132	IBNQKUWOUZXIGK-QFEZKATASA-N	434.521	4.925	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1Cl	409336304	RMADDUZKHRYMIP-KRWDZBQOSA-N	428.941	4.808	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1cccc(OCc3ccc(Cl)cc3Cl)c1)C(C#N)=C(N)O2	9272461	ZRCDJVBYLRXYGK-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)Nc1ccccc1S2	12564110	YATBOLRMQYBMHK-FSJBWODESA-N	449.448	4.865	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408791141	UQZVDBFXQZIXDS-WOJGMQOQSA-N	444.403	4.628	50	40	IJGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	2078296	MYYZOKVRACCLNJ-AFUMVMLFSA-N	431.517	4.958	50	40	IJGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(OC(F)F)cc2)c(C)cc1Br	3209849	JEQOQOMNLYYJPW-LSFURLLWSA-N	443.313	4.910	50	40	IJGB	
Cc1cc(C)c2c(n1)sc1c3c(c(=O)[nH]c12)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O3	9361114	GMUJKZQGVDQQSM-OAHLLOKOSA-N	434.908	4.626	50	40	IJGB	
COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(C(=O)OC)c1	100870258	FPFNZJPZKOCJBO-XDHOZWIPSA-N	447.516	4.977	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1	408707150	HGJYHUGKQQTBPJ-BRJLIKDPSA-N	445.281	4.965	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)NC1CCCCC1	408812035	KZZSUAQUBHMCSU-NBVRZTHBSA-N	437.927	4.713	50	40	IJGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408999871	XWVYCWUJPMQKSI-YDZHTSKRSA-N	446.960	4.622	50	40	IJGB	
O=C(/C=C/c1ccccc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	409225970	RVTYSTIWHHJFBB-AJQKUXQMSA-N	449.850	4.631	50	40	IJGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)c(OC)c1	707311	UNHLTOUVOCVXGK-HSZRJFAPSA-N	447.510	4.784	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)c1cccc(C)c1O	8435504	DGVNBGQUBOXLRJ-OPEKNORGSA-N	427.810	4.507	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCCC2)ccc1OC(=O)c1cccc(C)c1	17097993	JMICNIIDPABRRA-RCCKNPSSSA-N	432.520	4.969	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1Cl	408794121	HXSFTTBBZAITGH-MHWRWJLKSA-N	443.286	4.728	50	40	IJGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408810423	IXSIQRDOTJHOHN-CJLVFECKSA-N	438.483	4.832	50	40	IJGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	409069880	BAFLECGKNOXKAM-SAPNQHFASA-N	438.892	4.653	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1OC	9289485	LSJXZGWOZNWHKJ-CVKSISIWSA-N	438.911	4.629	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CNc3cccc4ccccc34)o2)cc1	17015158	WLHANTTURXUCPZ-NTFVMDSBSA-N	441.487	4.839	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)c(C)c1	30843481	LDLHLSYMWXGRLZ-WGARJPEWSA-N	436.895	4.705	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1	408535608	ZAOYQWMBZSTUFX-DHRITJCHSA-N	439.357	4.727	50	40	IJGB	
O=C(N/N=C\c1cccc(Br)c1)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408727189	DRPYMQBMOGTUES-ROTLSHHCSA-N	438.300	4.872	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc2c(c1)OCO2	408803853	AZNQAKXDTZKMBU-SIWYKLFPSA-N	448.519	4.605	50	40	IJGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1C(=O)O	408896372	NCKPNSZSXGOHRC-SFQUDFHCSA-N	446.846	4.803	50	40	IJGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	409020821	UIDIUYMYYVZFQE-YSMPRRRNSA-N	425.573	4.582	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccccn1	996358	ZYBMZODAEOXDIY-JOCHJYFZSA-N	447.560	4.833	50	40	IJGB	
CC(/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1C)=C\c1ccc(C(C)C)cc1	2319427	PYWLXCFKMPMBFS-AAODZYIFSA-N	433.581	4.903	50	40	IJGB	
N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C(C(=O)CCC2)[C@H]1c1ccsc1	8426425	YQERRPXATONXBC-SFHVURJKSA-N	426.885	4.614	50	40	IJGB	
Cc1cccc(Nc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)s2)c1C	8686159	SOZWRHHGPADYDW-UHFFFAOYSA-N	434.550	4.833	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	8812710	IREAFBGQFRUFFS-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1Oc1ccccc1[N+](=O)[O-]	59475431	WVVHPZSAVGMRKO-YDZHTSKRSA-N	425.828	4.813	50	40	IJGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC	408820719	ZKIULCKTFREDSQ-JCMHNJIXSA-N	432.520	4.611	50	40	IJGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)sc2c1CCCC2	408997050	GCWSTPANGCYONW-ZMOGYAJESA-N	439.537	4.568	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Br)ccc3OCC)cc2c1	409187014	KVDPBWWWCMIBTO-UUYOSTAYSA-N	431.286	4.757	50	40	IJGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)NCCCc1ccccc1	409232125	HAMPNKVQXJNXAU-AQTBWJFISA-N	434.879	4.954	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3CC)=C2C#N)cc1	409309349	FXHRWZDRPWVWEX-FQEVSTJZSA-N	449.576	4.667	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccc(Cl)cc1	2774534	IQGHGIILDJMRIQ-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)cc1OC	3093610	JFHQONCVCDFPCV-MZJWZYIUSA-N	429.520	4.605	50	40	IJGB	
CC(C)(C)OC(=O)Nc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	21286531	LBBJUGWFPNPETQ-UHFFFAOYSA-N	440.378	4.718	50	40	IJGB	
COc1ccc(C(=O)N/N=C2\CCN[C@@H]3CCCC[C@@H]23)cc1COc1ccccc1Cl	36611109	MDTKETGJOMDZSA-QXFCMGMBSA-N	441.959	4.566	50	40	IJGB	
C=CCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21	46084965	PXALOKNVRNJNDW-VYIQYICTSA-N	445.906	4.586	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408886272	JIRSENKPGRYJQL-XNTDXEJSSA-N	432.392	4.926	50	40	IJGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1	409004717	YECQKNQGTHICFC-XDQFAZSOSA-N	449.938	4.750	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1	409310392	BAEXGIZVQYTCHS-KRWDZBQOSA-N	443.981	4.772	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1	409325471	YXCDOPMYJJRDTG-KRWDZBQOSA-N	445.466	4.724	50	40	IJGB	
COc1cccc(COc2ccccc2/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1	3166867	SVEQHHTYEUCMFM-AEIQVQRHSA-N	438.911	4.845	50	40	IJGB	
Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O	12462356	ODXWBLSUCMBRGU-IBGZPJMESA-N	440.912	4.923	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)n1	20986622	JHUMCLRENPHOEM-LSFURLLWSA-N	435.336	4.903	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc(Br)c1OC	408781210	AROLEOSICMLFHZ-RMORIDSASA-N	445.235	4.639	50	40	IJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)c(O)c(Br)c1	409200082	GKLPUGLGBBWPPA-FBCYGCLPSA-N	434.142	4.704	50	40	IJGB	
CCCCCN1C(=O)/C(=N\NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c2ccccc21	6146635	MBMUERGUSUVYKU-PNHLSOANSA-N	428.536	4.765	50	40	IJGB	
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1ccc(Cl)cc1	6197108	IDFFZZSBAWQOJZ-HXUWFJFHSA-N	436.899	4.567	50	40	IJGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	12371902	ZENZMLLIJKPDMH-JOCHJYFZSA-N	437.524	4.931	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCc1ccc(Cl)cc1Cl	20754367	SFGXUOBBLGLUNT-BRJLIKDPSA-N	430.291	4.740	50	40	IJGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	103070160	NZBOFFGRBCITRH-MRJUWWRZSA-N	428.330	4.997	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1	13581559	CVDQLEGMNDBHLV-QRVIBDJDSA-N	448.379	4.904	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	58913202	UDQANONQTTVKMK-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	58913813	LTDJADAMHAIOSF-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
O=C(CCCC[C@@H]1CCSS1)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	96114641	CNWKJYDAXMXHLM-GOSISDBHSA-N	431.627	4.603	50	40	IJGB	biogenic
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(O)c(I)c1	96466603	JGXSFZZCQJTOLC-GHXNOFRVSA-N	438.652	4.504	50	40	IJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	409359275	BDFXQCQXXHIZEH-FOKLQQMPSA-N	432.705	4.925	50	40	IJGB	
CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1cccs1	1270659	XSRBQLDNHCCBJF-FQEVSTJZSA-N	442.537	4.762	50	40	IJGB	
C[C@H]1CCCC[C@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408707593	KUXAJVCBEFHDPN-JQOBJAGVSA-N	447.366	4.882	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@@H](C)c3ccccc3)cc2)cc1	408817098	ZQOHEUBBDFTANA-NGIIGVMLSA-N	439.515	4.797	50	40	IJGB	
O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1	408842962	KUPXMWKFHHHFOL-RMQWKZBYSA-N	448.320	4.865	50	40	IJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409366859	ZOCONGACEHXSJJ-YSURURNPSA-N	432.263	4.514	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2	9554100	FOQLNYWGRLPDQS-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
Cc1cccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)c1	12462842	IZCMOHOIKBYKCW-LGJNPRDNSA-N	439.560	4.584	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Cl	13921775	ZZXKXCFICRLACM-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
O=C(NNC(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1)c1ccccc1	408843391	MDTQTZJNWJUHBU-UHFFFAOYSA-N	449.919	4.882	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccc(Cl)cc1Cl	408998840	SJAKUWHHTFVXGQ-WYMPLXKRSA-N	428.275	4.715	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	409237230	IOXPVZYUXQGPHC-QWQBBLJPSA-N	427.460	4.958	50	40	IJGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc2ccccc2n1Cc1ccccc1	9434504	HONAUQAQLWFXGO-UHFFFAOYSA-N	427.548	4.667	50	40	IJGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	67192522	WJKYIOGIZRWQHQ-AUEPDCJTSA-N	448.262	4.999	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34C[C@@H]5C[C@H](CC(O)(C5)C3)C4)cc2)cc1	100845843	OGNQNIMZUDMOQL-JISYYHBNSA-N	428.532	4.824	50	40	IJGB	
O=C(N/C(=C\N1CCCCC1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	102854248	OXPKHMJWYUNZFT-NJNXFGOHSA-N	430.488	4.715	50	40	IJGB	
O=C1CC(c2ccc(O)cc2)CC(=O)C1[C@@H]([C@@H]1CC=CCC1)N(CCCl)CCCl	104125877	JTULRIBDHMEYEQ-PJJAJLGPSA-N	438.395	4.529	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)c(O)c(Cl)c1	408570407	UQCLMBHKOMACCI-ZVBGSRNCSA-N	443.377	4.707	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	408744730	GWVNCTJPURTZRH-SDQBBNPISA-N	439.682	4.744	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(C)C	408812436	OVUXNXQDSBUYAY-OVCLIPMQSA-N	429.860	4.980	50	40	IJGB	
CC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@H]1c1ccc(Cl)cc1	6015241	OYLWGTGLQQZLKM-JOCHJYFZSA-N	444.000	4.807	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccnc1	6474959	BYKNHVHAAZVMGN-QMHKHESXSA-N	449.539	4.602	50	40	IJGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1OC	8685425	IXNOIUIWBQFVNR-HZHRSRAPSA-N	442.515	4.549	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1O	10014005	GXYOSCUBDAELKA-LJQANCHMSA-N	437.293	4.925	50	40	IJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	14151951	WRVVLVGWBIWTMT-MDWZMJQESA-N	442.338	4.815	50	40	IJGB	
CCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC	20195267	LYKSYXDWCASXOI-ZVHZXABRSA-N	447.373	4.946	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)cc1	59484058	JHTALYALUZLMPW-SDQBBNPISA-N	436.103	4.771	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC	408793955	HFUUTHPQIQVUDA-GZTJUZNOSA-N	440.883	4.636	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cccc([N+](=O)[O-])c1	408996595	JAEJAHDISWBGBH-RGVLZGJSSA-N	446.282	4.865	50	40	IJGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1Cl	9329882	WANAIJOJYBSEAT-INIZCTEOSA-N	447.343	4.809	50	40	IJGB	
CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(Br)c1	14923819	FLOBWHZZBLCLGC-HYARGMPZSA-N	447.333	4.748	50	40	IJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	28216290	QZVKTIDDIFUDCZ-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)OCC(=O)NCc2ccccc2Cl)c(C)n1CCC(C)C	33480195	IYIOIEUVDWQYNO-MTJSOVHGSA-N	441.959	4.571	50	40	IJGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1	226334768	ULPDSXZTMOYICI-XBXARRHUSA-N	443.624	4.557	50	40	IJGB	
CCc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C	408931997	APFAAMGIGCLHJY-YSMPRRRNSA-N	432.524	4.907	50	40	IJGB	
CCC[C@H](C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccc1	9644479	MJEWMSVJMPNICQ-QFIPXVFZSA-N	448.592	4.731	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2cccc(Cl)c2Cl)nnc1-c1ccc(C)cc1	9763037	YYNBUYNPLPXZGH-KSEXSDGBSA-N	448.379	4.823	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccc(Cl)cc1	58835127	VRAMSQTZFJLBAO-JFLMPSFJSA-N	437.927	4.880	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc(C(F)(F)F)c1	59679634	LATPYHJWLVYPTE-LCYFTJDESA-N	427.220	4.962	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1	408677865	VRPGIFLEFUDQBJ-YZSQISJMSA-N	444.491	4.538	50	40	IJGB	
CC[C@H](C)c1ccccc1OCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC	2150036	NRCCGLWIWBCICC-VKLJRCAFSA-N	447.535	4.825	50	40	IJGB	
CCCCCCSC1=C(C#N)[C@@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1	9110625	RUGCEPCUEOWKEW-CYBMUJFWSA-N	439.375	4.815	50	40	IJGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C(c1ccccc1)c1ccccc1	9508832	TYTAEHWEFISMLC-UHFFFAOYSA-N	427.529	4.712	50	40	IJGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc(Br)c1	13576221	VKXYHWGDQUZUOD-DJKKODMXSA-N	442.176	4.595	50	40	IJGB	
O=C(CCCCCC(=O)N/N=C/c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1	30826566	GKKOQSVFVFQABH-WJVNUPORSA-N	433.339	4.544	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)OC	59336495	JMOWPVZVBKEIMJ-WJDWOHSUSA-N	445.302	4.819	50	40	IJGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	408758828	SBJHIVDMMLUDKP-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)o1	408962755	UMPQIONBGUPSLE-JJFYIABZSA-N	442.269	4.871	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1Cl	409124447	HSIIGJOVVRTVMZ-QHCPKHFHSA-N	434.879	4.851	50	40	IJGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)c(C)c(Br)c2)cc1	409365675	VRXGIMLOPFZLGI-NHDPSOOVSA-N	438.163	4.775	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)o1	2197202	DCNZODDMKOTPHQ-OAHLLOKOSA-N	430.327	4.570	50	40	IJGB	aggregator,in-vivo
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1COc1ccc(F)cc1	2768410	XIEHPXOZCRQKNT-QHCPKHFHSA-N	448.494	4.864	50	40	IJGB	
CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccccc1Br	3167633	VGFWYAVBQKBQTQ-YODDIOPGSA-N	440.135	4.519	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc(Br)ccc1O	8399618	BPHSAJSKKRBYRS-DHRITJCHSA-N	448.320	4.922	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(SC)NC(C)=C2C(=O)Nc2ccccc2C)cc1OC	8987906	OVYDENWBLSPUDT-JOCHJYFZSA-N	435.549	4.710	50	40	IJGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1ccccc1Cl	10387027	URZQZLNFTGNDHY-UHFFFAOYSA-N	433.686	4.533	50	40	IJGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1	22022757	CSCOHSFUYYRDHM-MTDXEUNCSA-N	425.532	4.574	50	40	IJGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1	33367074	YFDBYWCBTIFTQC-PDGQHHTCSA-N	446.459	4.673	50	40	IJGB	
BrC(Br)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104044395	JCQTWHOMKUNYKR-UHFFFAOYSA-N	436.127	4.786	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c(OC)c1	107803468	VIOBEYUAVOPWIY-FSJBWODESA-N	443.297	4.799	50	40	IJGB	
CCC(CC)=NNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	408730127	NQECXCSJDJKZJD-UHFFFAOYSA-N	449.576	4.988	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2cccc(Br)c2)cc1	409252387	SHOCQXCJHULJAX-OEAKJJBVSA-N	430.346	4.832	50	40	IJGB	
COc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)c([N+](=O)[O-])c1	409389781	ADUVWULGISPYBI-VULFUBBASA-N	444.447	4.579	50	40	IJGB	
CCC[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1O	2674568	DSLJOXWSUWDKAV-RYFGYPJOSA-N	425.710	4.506	50	40	IJGB	
COc1ccc(Br)cc1/C=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	13305507	KOYCCGCJAXJLFM-SZJFIWSWSA-N	449.348	4.914	50	40	IJGB	
O=C(CCBr)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1	16431270	GXJSIABMSHPNFC-UHFFFAOYSA-N	435.146	4.914	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Cl)cc3)c2)cc1C	28617640	KMXKHIPTJQNSJQ-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1Cl	59334383	ITWXQMXHYJHASM-NVNXTCNLSA-N	449.732	4.685	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Br)cc3)cc2)cc1	59499228	DTXNQXUNHBGRPX-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C	108995090	SFAPWLXNBLMRMH-YSMPRRRNSA-N	442.475	4.928	50	40	IJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc21	208206058	APQQLUGENGHOSZ-PSHHWHLWSA-N	444.373	4.700	50	40	IJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408904949	QXWFHYRIZYCLJM-QNEYSMKTSA-N	445.859	4.944	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1C#N	409051478	DGEJBPDEIZYFLC-MZJWZYIUSA-N	433.895	4.872	50	40	IJGB	
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1c[nH]c2ccccc12	1795081	QJXZWTJGKKYBCR-SSDVNMTOSA-N	439.591	4.554	50	40	IJGB	
O=C(N[C@@H](COCc1ccccc1)C(=O)Cl)OCC1c2ccccc2-c2ccccc21	2559983	CNSWGDFBUSGOOY-QHCPKHFHSA-N	435.907	4.876	50	40	IJGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	9261753	IEIBGDDFNOUQQV-LYBHJNIJSA-N	446.554	4.945	50	40	IJGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1C	9583513	ZUHRQZPAQUQOSW-LFIBNONCSA-N	433.420	4.766	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OCc1ccccc1	9665489	BEIWRDPLIJZBBF-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccccc1	59101818	JXRABMJLUVPGGF-OVVQPSECSA-N	425.488	4.829	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OCC	216043857	LVGOLBQYRBPKSQ-QRVIBDJDSA-N	433.346	4.556	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1ccc(F)cc1F	408708295	OXERFEVSEBXUHL-KBKYJPHKSA-N	446.816	4.590	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1cccc(Cl)c1	409256481	LOEUSBPKIIXKRM-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1	2229234	FTJIXFYFNGABAO-QGZVFWFLSA-N	441.940	4.577	50	40	IJGB	aggregator
COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c1	9693170	QCNQHRSBRNHZGA-IBGZPJMESA-N	435.549	4.540	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	13055137	QDPZSCAILUFXLI-IBGZPJMESA-N	430.957	4.701	50	40	IJGB	
N#C/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	13388075	WMEFTMAELRMUDX-YRNVUSSQSA-N	440.175	4.922	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)cc1	20764790	VGIZGMGSVSWJFK-OGLMXYFKSA-N	443.503	4.699	50	40	IJGB	
Cc1ccccc1[C@@H](C)NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1	24767508	DHOWSVPAUOLUNY-QAEAHILHSA-N	435.325	4.932	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCC	34379472	AKOACDREWLQPBR-OYKKKHCWSA-N	437.452	4.631	50	40	IJGB	
CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	98001501	RLHIKBMECYXYCC-KOEQRZSOSA-N	425.529	4.767	50	40	IJGB	
O=C(N/N=C/c1ccc(N2CCCCC2)cc1F)c1cc2cc([N+](=O)[O-])ccc2s1	108176348	WJGZZDBOJBEFTA-YDZHTSKRSA-N	426.473	4.703	50	40	IJGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408725762	JSWCILPZHJFWES-PGGKNCGUSA-N	432.263	4.544	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)c(OC)c1	408876830	OEXADYRDQQBJJP-OEAKJJBVSA-N	442.515	4.815	50	40	IJGB	
Cc1c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(Cl)nn1-c1ccccc1	408892158	GRGURXYCERDPDQ-AUEPDCJTSA-N	437.714	4.670	50	40	IJGB	
O=C(O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)C(Cl)Cl	1397236	GPRHUVFJDICUPG-HMAPJEAMSA-N	432.090	4.591	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1	6075357	ZYJGLONBENFYDK-UHFFFAOYSA-N	436.604	4.512	50	40	IJGB	aggregator
Cc1cc(CSc2ccccc2C(=O)NNC(=O)c2cc3c(s2)CCCCC3)on1	32899488	XVCMQTLSQFPJLR-UHFFFAOYSA-N	441.578	4.681	50	40	IJGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(C)cc1	33751949	AKNCOWUXQFXMFT-NDENLUEZSA-N	443.459	4.994	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1C	59101749	RRFRXXIRMJSLEM-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)c1C	408709278	YXVBWCGEZIHUOY-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1OCc1ccccc1	408773059	PMQHXSFIVTWCAX-QNGOZBTKSA-N	427.504	4.886	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc([N+](=O)[O-])cc1	408819987	SIOGJGUKARZVPE-QFEZKATASA-N	445.431	4.693	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1-n1cccc1	408887732	STCHXVYBPYRYKN-YZSQISJMSA-N	440.459	4.728	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409331039	DHWQJNXYEGHYDE-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Br)o2)sc2c1CCCC2	1452898	NTDNCCASRBWDDV-PKNBQFBNSA-N	449.326	4.705	50	40	IJGB	
N#CC(C(=O)CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)=C1Nc2ccccc2N1	3297265	ZWYPCSUPYTYLDE-UHFFFAOYSA-N	443.319	4.712	50	40	IJGB	
C/C(=N\NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1)c1ccc(Br)cc1	8780813	HNNQYXILZBOLPO-LPYMAVHISA-N	431.721	4.501	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)o2)cc1	10475897	VNRWYPMHEFBTSG-WGOQTCKBSA-N	428.492	4.532	50	40	IJGB	
Cc1ccsc1CCN1CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2C1	20348119	LTXGRPYBRAXIDU-KRWDZBQOSA-N	429.998	4.968	50	40	IJGB	
CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(C)=O)cc1	26642365	JWMHJAWVHGBRBZ-FVQJWRHTSA-N	433.346	4.890	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1	408743366	VXYQDOIMCOQKDY-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I	408746078	XCUWCMRDFIDERD-GDNBJRDFSA-N	432.261	4.544	50	40	IJGB	
COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c1	9693169	QCNQHRSBRNHZGA-LJQANCHMSA-N	435.549	4.540	50	40	IJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	23411052	OWGRJJLYUADVRT-WPWMEQJKSA-N	430.504	4.732	50	40	IJGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c3ccccc32)c1	33415381	UBUNELCOMNEYKP-YSMPRRRNSA-N	426.476	4.599	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)cc1	38536883	LTHDIUBJMWFOSZ-ZBZBZECSSA-N	431.536	4.614	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1C	59383046	QHVGBRLNROERTA-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C	408590290	OOQDDDAFNGJKST-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)c1	408745557	NUPVQPHFKLFYHB-BKUYFWCQSA-N	443.503	4.743	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)c(C)c1	408961108	ADLKISIACJZYSR-RPPGKUMJSA-N	430.382	4.824	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N[C@H](CC(C)C)C(=O)N/N=C/c1cccc2ccccc12	409016010	QFPJTOVJQPRPQM-SWOYFSSUSA-N	445.563	4.517	50	40	IJGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)o1	409191819	OAZUERCZGFGFDK-SDNWHVSQSA-N	436.851	4.941	50	40	IJGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2cc(Cl)cc(Cl)c2OC)C(C#N)=C(N)O3)cc1	718443	UQHWYIWNKARGAT-MRXNPFEDSA-N	443.290	4.619	50	40	IJGB	
CN(C)c1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1	1095471	SKSQGENFXYELMU-DTQAZKPQSA-N	435.325	4.851	50	40	IJGB	
O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Br)cc2)nc2ccccc12	2358626	NKOYTTWZDJNKOM-AFUMVMLFSA-N	431.293	4.823	50	40	IJGB	
CCOC(=O)C[C@H](c1ccc(OC)c(OC)c1)P(=O)(c1ccccc1)c1ccccc1	3144993	GCUPWNQARGIIAB-XMMPIXPASA-N	438.460	4.712	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl	59383063	NEJHOIAREKHNQZ-UHFFFAOYSA-N	447.988	4.670	50	40	IJGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2cccc(Cl)c2)o1	67192571	WEZALMKJPNJXCG-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc3ccccc23)N2C(=N1)SC(C#N)=C2N	408608202	VJBNSUIWLJGTCJ-QFIPXVFZSA-N	437.528	4.863	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)cc1C	408740575	LOYLXKLKLULZEP-RWPZCVJISA-N	426.520	4.788	50	40	IJGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2ccccc2C#N)c(Cl)c1	409134974	PDNFVQRFHLGDRN-QFIPXVFZSA-N	431.879	4.605	50	40	IJGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21	672462	ABCGVRYRJFTVKW-CVKSISIWSA-N	431.492	4.604	50	40	IJGB	biogenic,in-vitro
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1	857399	UOKKKAIOXSNNFS-HSZRJFAPSA-N	430.504	4.725	50	40	IJGB	
COc1ccc(Br)c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1	2100903	ARCOQVXHCNOVPV-ZVHZXABRSA-N	439.309	4.654	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1OC	2286626	LLPYDQQFTCMQSA-QRQCRPRQSA-N	436.895	4.566	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)C(C#N)=C(N)O2	9994906	OCNBSJGIOCZIJY-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1	10059567	JGAWGKXSVNDIAG-SKKJWADRSA-N	439.737	4.851	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1	15945106	IVJIXOYYIQIRPV-DITITPFASA-N	449.507	4.784	50	40	IJGB	
COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(Cl)cccc1Cl	16606605	FNBVZZPFSPPTIM-GOSISDBHSA-N	430.291	4.722	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3ccccn3c2=O)cc1C	16735488	NHAHSXHYLXZRPC-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc(F)cc1	113833291	FDPYILNQHLCSMQ-FOWTUZBSSA-N	449.463	4.542	50	40	IJGB	
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)N(CCCl)N=O)CC[C@@H]12	118930577	RVNKEMCEVCMAJM-MDUNAHHLSA-N	426.001	4.690	50	40	IJGB	
C=C1C[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CCCO	210458124	JXVLJWBTAZZVKK-ZEQKJWHPSA-N	438.684	4.829	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1Br	408742121	PMGFDFGEECWOQG-RGVLZGJSSA-N	438.119	4.540	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1	408887410	OANAHHCBNHKZPZ-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408966588	MIQYGSMNELODME-YUMHPJSZSA-N	433.552	4.929	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCC)cc1OCC	409324154	SKANRRBFPBZUQN-UCQKPKSFSA-N	449.345	4.799	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1F	2077248	UJZRIWLIEPWVPR-LGJNPRDNSA-N	442.874	4.596	50	40	IJGB	
CSc1nc(NNC(=O)c2ccccc2Br)c2c3c(sc2n1)CCCC3	2226868	IVWCTAHJZAGNGB-UHFFFAOYSA-N	449.399	4.811	50	40	IJGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	9202565	WCAUGMJYGIXTND-CVKSISIWSA-N	426.476	4.979	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)c(OC)c1	33663420	KYJPHAFZFRVOAZ-JFLMPSFJSA-N	427.504	4.779	50	40	IJGB	
CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(F)cc2F)cc1	606422456	LPJZFMPIMAFFAU-HSZRJFAPSA-N	448.425	4.801	50	40	IJGB	
CCOc1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1	1741309	XRWUSUOKYGNNCY-HOTGVXAUSA-N	427.136	4.924	50	40	IJGB	
CCCOc1ccc(/C(CC)=N/NC(=O)[C@]2(C)CC2(Br)Br)cc1	8399646	JZJCPZOBTUPRMA-RZKQZQCBSA-N	446.183	4.602	50	40	IJGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C	12463125	OOEWPFNYHCEHND-LGJNPRDNSA-N	439.560	4.584	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccncc2)ccc1OCc1cccc2ccccc12	83293182	QWICSSPAAHRZTG-QRQIAZFYSA-N	425.488	4.976	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)c1	408934270	BSLXRYQFKWYFMG-LQKURTRISA-N	438.531	4.953	50	40	IJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc4c(c3)CCCC4)o2)c1	409173903	LAJVKXJCLBKTDH-JVWAILMASA-N	446.503	4.531	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1	409237229	IOXPVZYUXQGPHC-GFHXCNCHSA-N	427.460	4.958	50	40	IJGB	
Cc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)c(C)s1	4168845	FNUDKZMWKWNHDF-HNNXBMFYSA-N	427.327	4.736	50	40	IJGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@@H]1c1ccccc1	8917307	LKFXHTXIXAUYIW-NRFANRHFSA-N	447.288	4.886	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	20197435	IMOHAOOBENIMQB-ZMOGYAJESA-N	426.856	4.851	50	40	IJGB	
O=C(N/N=C\c1cccc(O)c1)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1	30750318	BCHWVBGRKDCQFB-WGARJPEWSA-N	446.894	4.779	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408790093	NLGIMKQLVNPTBZ-GZTJUZNOSA-N	440.883	4.636	50	40	IJGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)c1C	30838826	SZWZWACMASPJLK-WGARJPEWSA-N	436.895	4.705	50	40	IJGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)o1	408569923	RCARZKKVUTVSQK-AFUMVMLFSA-N	449.557	4.826	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nn2-c2cccc(C)c2)cc1	408726783	USSMBQBNYJWVKF-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
COc1ccc(C2=C/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC(C)=O)o3)C(=O)O2)cc1	408741604	KGDQSKJJXGSKSZ-LFIBNONCSA-N	447.399	4.770	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc(Br)cc1	408745422	SALMBYOKPGPICV-PTNGSMBKSA-N	437.249	4.953	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)cc2c1	409187965	WAJGEPNLAUJHBO-AFUMVMLFSA-N	446.463	4.911	50	40	IJGB	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1	575615165	BSDCHSUKNWGUMW-CRAIPNDOSA-N	448.075	4.742	50	40	IJGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)cc1	1056978	XKTUWRJNTWEVGV-QFIPXVFZSA-N	444.491	4.544	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1	2312353	QOSBQIQRGUTMPP-HXUWFJFHSA-N	439.924	4.734	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1C(=O)O	2773808	NDXDZAFTXXGXJF-FMIVXFBMSA-N	437.795	4.752	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n[nH]2)sc2c1CCCC2	8996402	URUZDABCHSGDDN-FOWTUZBSSA-N	446.532	4.739	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1	9581105	MUMUEGSTOZCQCO-OSPHWJPCSA-N	432.483	4.738	50	40	IJGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	10386942	KQHRKQHQODMCRZ-UHFFFAOYSA-N	433.686	4.533	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F	59292042	XNVLIDHHBLDROR-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
C[C@@H](NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	408794462	ILNIIYOVVJTRTQ-ISPGYRLHSA-N	443.478	4.628	50	40	IJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1	408908125	BAQZSOGYVSIHEC-NDENLUEZSA-N	429.476	4.655	50	40	IJGB	
C/C(=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1c(C)nn(-c2ccccc2)c1O	408957055	SDPGKXNBXXKKCT-PUMVZNGMSA-N	447.322	4.501	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1cccs1	409132578	KFEUBUXZRNZUKK-LLVKDONJSA-N	438.361	4.765	50	40	IJGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c(OC)c1	2242015	CUKRXLWKEURRGI-GOSISDBHSA-N	441.940	4.577	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	8722040	PKVHCPKKAGLMHB-GATIEOLUSA-N	435.789	4.708	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccccc1	13943579	RQMNYTAETACPQR-JJIBRWJFSA-N	426.516	4.930	50	40	IJGB	
CCCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC	20195162	NBSNHFDHOXNKMW-YDZHTSKRSA-N	433.346	4.556	50	40	IJGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(CN2CCc3ccccc3C2)cc1	23382825	NPPQDIKLICONKK-VULFUBBASA-N	448.910	4.570	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	28216353	MQCHOEXDLKLHAQ-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
COc1ccc2c(Cl)c(C(=O)N/N=C3/C(=O)N(CC(C)C)c4ccccc43)sc2c1	102978448	YWTOHRCQKCDAOC-LYBHJNIJSA-N	441.940	4.700	50	40	IJGB	
COc1cc(C(=O)Cl)cc(I)c1OCc1ccccc1Cl	226360839	JZKKCFVEXIXVMC-UHFFFAOYSA-N	437.060	4.911	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O	408568281	ISZBELQCYKZTOS-ZVBGSRNCSA-N	443.377	4.707	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1F	409148263	YAXZQEQAGMSQED-DEOSSOPVSA-N	447.510	4.533	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1F	1093583	HSKTZIBHECMAED-KGENOOAVSA-N	426.495	4.980	50	40	IJGB	
CCCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCCC)cc2)C(C#N)=C(N)O3)cc1	9460821	PAMSRXVGEKZTRN-NRFANRHFSA-N	430.508	4.872	50	40	IJGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1	100749157	DDRRGUHFSVCOKW-XTCLZLMSSA-N	430.895	4.722	50	40	IJGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(OC)c2)cc1OC	408582421	OBKIEAPIJNYSRE-DEDYPNTBSA-N	444.487	4.794	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1	408802511	YLMVFXBQCMOSHS-MHWRWJLKSA-N	443.297	4.569	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)Nc1ccccc1	409049499	XEYVBHHNGZUXIL-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409131435	XXWRSLQKQLFMJU-QZTJIDSGSA-N	447.343	4.665	50	40	IJGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	409236443	GIHVAIBYWJCTDW-WGARJPEWSA-N	426.875	4.760	50	40	IJGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1	2753766	TVJYEATXEYDTQK-GFXGDVFHSA-N	430.354	4.688	50	40	IJGB	
N#CCS/C(Nc1cccc(C(F)(F)F)c1)=C(\C#N)C(=O)c1ccc2c(c1)OCO2	8742311	PXNWXOWHSZCYLI-XDJHFCHBSA-N	431.395	4.721	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1C	13095922	QGZUIDBKFVSINF-YBFXNURJSA-N	448.548	4.955	50	40	IJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1C	59333125	HEOCNVPXSNMBMV-BWAHOGKJSA-N	438.575	4.967	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)C(O)(c1ccccc1)c1ccccc1	96840783	YGGVWKDUPSJFMX-PKAZHMFMSA-N	430.891	4.986	50	40	IJGB	
COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	106372795	ZZWZZCJMQUWZLW-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1OC	408583030	RBVQQFMDTKPDGP-XSFVSMFZSA-N	435.501	4.844	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)c1cccc(C)c1	408718629	MBVUTNBSHYRTPH-IMRQLAEWSA-N	430.504	4.696	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2cc(Br)ccc2Br)o1)c1ccncc1	409111231	BODVOPUWUFMMAZ-UFFVCSGVSA-N	449.102	4.631	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1C	409266593	QGKJIHIWOWIYBG-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCCc1c[nH]c2ccccc12	1095459	SOAPORDUNHVOGC-QGOAFFKASA-N	426.432	4.602	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccccc3O)c2C)c1	20243889	IQSRJYWZCGDXRL-WYMPLXKRSA-N	440.341	4.943	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(O)c([N+](=O)[O-])c3)n2)cc1OC	36645992	BOVIZPBOZWYLIO-NSIKDUERSA-N	439.449	4.514	50	40	IJGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(C(C)C)cc2)[C@@H]3CCC1	57061352	IPXMQNGZHBPDEF-PWDRKSFLSA-N	428.580	4.916	50	40	IJGB	
COc1ccc(NC(=O)c2ccc(F)cc2)cc1P(=O)(c1ccccc1)c1ccccc1	97951137	GWABNVVTJOJMBP-UHFFFAOYSA-N	445.430	4.726	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CCCC2)cc1Cl	408707870	MHMJOYWLCZJLHV-WYMPLXKRSA-N	433.339	4.554	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1	408794323	ITCHOYPXUYYOSD-XMHGGMMESA-N	429.432	4.728	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)cc1	408878454	BJZRVVKNICIZSX-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1	9665373	SZHWGDDNXRCKSE-VULFUBBASA-N	438.959	4.720	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1[N+](=O)[O-]	12197191	YRYOBBCFQSDLSO-FMIVXFBMSA-N	438.783	4.962	50	40	IJGB	
Cc1sc2nc(C3CCCCC3)nc(SCC(=O)NNC(=O)c3ccco3)c2c1C	13499946	IWIZSJIRWCIENC-UHFFFAOYSA-N	444.582	4.502	50	40	IJGB	
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=N/NC(N)=O)c3C)sc3c2CCCC3)cc1	59248871	MUYUFBIWVPWANH-LGJNPRDNSA-N	449.580	4.597	50	40	IJGB	
C=CCn1cc(/C=C(\C#N)C(=O)Cc2sc(C(=O)OCC)c(C)c2C#N)c2ccccc21	408546425	JHHNWTZVZKANJU-GZTJUZNOSA-N	443.528	4.964	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1	408797948	DBLWOUHQFHSNKY-GNFOSXPUSA-N	427.460	4.958	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(C(F)(F)F)c1	408961124	AFZQZAKEOUELRJ-LGJNPRDNSA-N	443.381	4.957	50	40	IJGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)ccc1O	6134812	APUQYVVSTBQUGZ-IBGZPJMESA-N	435.549	4.573	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)cc1	8842869	NVUQOEWPWIUOPS-STZFKDTASA-N	443.503	4.825	50	40	IJGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)c1ccccc1	408779184	RYOPDFHRKLBIPZ-LHLOQNFPSA-N	449.576	4.546	50	40	IJGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cc(OC)ccc1O	1453714	LHHUNDLRLSWRAS-GZTJUZNOSA-N	448.500	4.852	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1	8385900	DEHHBVFZHPUZPC-RWOVVYLESA-N	435.936	4.883	50	40	IJGB	
Cc1ccc(C(=O)NC2=N/C(=C(/C#N)C(=O)Nc3cc(C)ccc3C)c3ccccc32)cc1	13554817	GJQFPSPOXYDZQW-GYHWCHFESA-N	434.499	4.675	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccncc1	13662013	AYJGNTMUZRSFRE-NLRVBDNBSA-N	448.596	4.786	50	40	IJGB	
O=C(COc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1	14920298	IWAMUMMWXFKMKK-YZSQISJMSA-N	446.507	4.658	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(/N=C/N(C)C)Oc3c2ccc2ccccc32)cc(OC)c1OC	100324865	RXVPRBVLXUIOGX-JSPCPOQUSA-N	443.503	4.715	50	40	IJGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@H](Br)C2=O	100834640	HIUVZFSAJLHFJR-DQYPLSBCSA-N	429.152	4.547	50	40	IJGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1cccc([N+](=O)[O-])c1	107749477	RMSXIUVCUPVLAZ-QCDXTXTGSA-N	437.633	4.538	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC	408810982	KEOQHIUUEHRFOA-LFIBNONCSA-N	427.298	4.877	50	40	IJGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1)C(=O)NC(N)=O	409243059	VBXSRCYZFGGYRB-IUXPMGMMSA-N	440.286	4.827	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccc(Cl)cc1	409376262	WMLKUDIMRYBNRR-JFLMPSFJSA-N	443.975	4.690	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1	876123	HRUFRDZVDJHSET-FYJGNVAPSA-N	446.478	4.645	50	40	IJGB	
O=C(CSc1ccccc1)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	2628802	LQZVRMHVAIMHJC-UHFFFAOYSA-N	442.540	4.972	50	40	IJGB	
Cc1ccc(OCc2cccc(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1C	15931202	SVIOSTNORXUBHS-UHFFFAOYSA-N	432.564	4.860	50	40	IJGB	
C/C(=N/NC(=O)c1ccccn1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	17095284	MGKXCLQXBQOKCY-ZMFRSBBQSA-N	427.291	4.795	50	40	IJGB	
Cc1ccc(N(CC(=O)N/N=C2/CCCC[C@H]2C)S(=O)(=O)c2ccccc2)cc1Cl	59472964	LIEVUWRKBIIYEL-PJXFJRINSA-N	447.988	4.526	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	408789016	HFAMNTNLUUBLII-GZTJUZNOSA-N	439.309	4.578	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(Br)c1OCC#N	408815775	UZGWJKHSYQMTOZ-WJDWOHSUSA-N	440.272	4.765	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1cccc(Br)c1	408844419	ILTLHZPNHVPNLM-LCYFTJDESA-N	438.119	4.705	50	40	IJGB	
CC(=O)c1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1	1801228	GLMBTRFUCBZHHH-CVEARBPZSA-N	425.120	4.727	50	40	IJGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C(C)C)cc1	408605552	MAJVMIKXPHCGCO-QFIPXVFZSA-N	444.560	4.895	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c(C)c1	408815078	UFTCMQSHPMJSIQ-MOSHPQCFSA-N	431.467	4.874	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1	408921473	AYIYXXKMVHCHLD-NTEUORMPSA-N	448.391	4.626	50	40	IJGB	
COc1ccc(-n2cccc2/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408934809	DAVRLPRACQPWEH-QRVIBDJDSA-N	438.281	4.759	50	40	IJGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1	409197853	QGKNFFZMKMJWIW-QVGKIPNLSA-N	448.320	4.786	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)c(OC)c1	2364241	YRTIRDOOXOMXAO-KRWDZBQOSA-N	441.940	4.577	50	40	IJGB	
N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@H]1c1ccco1	8970698	YSKBRISNFLIGJM-LJQANCHMSA-N	429.501	4.716	50	40	IJGB	
O=C(NN=C1CCCCC1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	9441810	OBOPYOFYRRTCRJ-UHFFFAOYSA-N	433.533	4.599	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)COc2ccc([C@@H](C)CC)cc2)cc(Br)c1O	30822038	ATBSMTKIVHXYAM-IIHGDPFSSA-N	449.345	4.596	50	40	IJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(OC)c(Cl)c2)o1	67194261	FMDPSUKQPLSNKH-ZMOGYAJESA-N	428.872	4.536	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1	408744873	HWKNMXPUVRYXDE-UNOMPAQXSA-N	428.444	4.549	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(C)cc2)cc1	409224358	JFEPPKYYPXOKBQ-WGARJPEWSA-N	449.894	4.590	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)cc1[N+](=O)[O-]	409393708	ZDRICNAWCNFASX-VULFUBBASA-N	428.448	4.879	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	1453933	GODOWCNHDPOBSQ-XYOKQWHBSA-N	436.103	4.766	50	40	IJGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccc(Cl)cc1Cl	3112438	RCBCYFXVBVOTLM-UFFVCSGVSA-N	443.128	4.625	50	40	IJGB	
Cc1oc(/C=N/NC(=O)COc2c(Cl)cc(Cl)cc2Cl)cc1Br	3148319	IJTLTHFIDBSBQL-PTXOJBNSSA-N	440.508	4.840	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)o2)cc1	9553886	ZODLLMOBDRXQPP-YZSQISJMSA-N	427.460	4.678	50	40	IJGB	
O=C(CCCC(=O)Nc1ccccc1Br)N/N=C/c1c(F)cccc1Cl	13477902	WOXNLJQLRVJZOG-SSDVNMTOSA-N	440.700	4.501	50	40	IJGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914780	WLAIQXBZQKLHIO-MSXFZWOLSA-N	446.290	4.741	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3ccc4ccccc4n3)c2C)c1	59427024	LSOPDYLCMQYCHV-JFLMPSFJSA-N	426.520	4.788	50	40	IJGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	408539585	IFBLBPGIYDRHRS-UCQKPKSFSA-N	433.892	4.980	50	40	IJGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1)c1ccc(Br)cc1	409219163	JWCBSSFEQXOIHW-JJFYIABZSA-N	447.672	4.679	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C)s2)nnc1-c1ccc(C(C)(C)C)cc1	2612826	KXAUKBMVMGMSQR-YDZHTSKRSA-N	441.626	4.875	50	40	IJGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4cccc(Br)c4)CC(=O)N3C2)c1	9693442	CDBZEGJTJPTZPX-SFHVURJKSA-N	440.366	4.977	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC	33664005	FSLMNYOHODJEMA-SXGWCWSVSA-N	427.254	4.832	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)cc1	108053308	CNXUYZHZKIEUKO-OYKKKHCWSA-N	448.504	4.777	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)OCC	408982315	GMPBGBHADAGRAZ-UNOMPAQXSA-N	438.911	4.865	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	409232798	QDFGXIOZIVJDDP-AOMYKUFJSA-N	439.515	4.797	50	40	IJGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc1	2704825	YEOWFCPZLXTTHL-CVKSISIWSA-N	444.560	4.644	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1	9087255	JVTAYZLOQADHSX-RMORIDSASA-N	448.262	4.999	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccc(O)c1	9308775	NHWZPVTWKMAVSV-JOCHJYFZSA-N	436.471	4.579	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc(=O)c2c(C)n(-c4ccccc4)c(C)c32)cc1	26108610	OKLMUNKLJAZAPK-AREMUKBSSA-N	449.510	4.834	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1	408762407	OPXUOZRHXQPWHO-OGLMXYFKSA-N	437.499	4.930	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408865862	GBLOYBLXUVMHEQ-OVCLIPMQSA-N	432.261	4.544	50	40	IJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1ccccc1	408883304	UVZDHFAUTFHJBF-XMHGGMMESA-N	428.444	4.518	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1C	408942766	RJSHHJLLAULQLW-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)cc1OCC	409319875	NBDDDKIDGDULSV-FMCGGJTJSA-N	425.312	4.953	50	40	IJGB	
CCCc1n[nH]c2c1[C@@H](c1cccc(OCC)c1OCc1ccccc1)C(C#N)=C(N)O2	706892	XAVSHDHBGHBBCW-NRFANRHFSA-N	430.508	4.558	50	40	IJGB	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1OCc1ccccc1	8985056	NLWSYMCBAVHCLJ-STBIYBPSSA-N	439.515	4.990	50	40	IJGB	
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc(Br)c1OC	9613622	UPNKZFLKRFVNMH-CXUHLZMHSA-N	436.327	4.503	50	40	IJGB	
N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@H]1c1c[nH]nc1-c1ccccc1	13959784	GDPJIASQWUUBAL-OAQYLSRUSA-N	446.470	4.741	50	40	IJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)cc1	30937327	HAVLQWQTBKFWRZ-QUHMBEFTSA-N	446.503	4.725	50	40	IJGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1Cl	408739761	FLOYNIHJNZYMKT-ODDBZWQPSA-N	447.926	4.502	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c1C	409072426	CCUIKXADBMYGGH-ZHZULCJRSA-N	432.501	4.617	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCc1c(F)cccc1Cl	409206067	MDBYZCIUFWOYDM-WYMPLXKRSA-N	432.904	4.821	50	40	IJGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccccc1Cl	6190624	DZPVMTOBSVJQPD-QQNPRBCQSA-N	447.966	4.763	50	40	IJGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=N/NC(=O)c3cccc(NC(C)=O)c3)c2c1	109078681	PYMPEDIFLJKAPY-CVKSISIWSA-N	426.476	4.566	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Br)c1)c1ccc(Cl)cc1Cl	408579548	HPZYMUYKASAACR-VZUCSPMQSA-N	426.097	4.684	50	40	IJGB	
C[C@H]1CCCC[C@@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408707598	KUXAJVCBEFHDPN-SSWXVEETSA-N	447.366	4.882	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccccc1-n1cccc1	408860220	YYNMYBUNQFTXSS-LFVJCYFKSA-N	433.309	4.794	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1OCc1ccccc1	867514	NADHNTWBKFDHFX-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3cccc(C)c3)nc3ccccn3c2=O)cc1	2449105	GNRVITGQKUVSTA-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)c([N+](=O)[O-])c1	9971625	IOZNKZPZMBIOPX-KSEXSDGBSA-N	427.844	4.654	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(Cl)cc(Br)c1O	108081484	ICJWXTMATQCLML-LSHDLFTRSA-N	433.689	4.734	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)s1	12640243	DSXACJQJAYZSOK-UEDFDPAGSA-N	447.988	4.724	50	40	IJGB	
C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)COc1ccc(Cl)cc1Cl	13898557	VBQMHCXEVHHDLX-WYMPLXKRSA-N	442.730	4.855	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cc1ccccc1	59333429	IOOFXFVKNKNCED-QQTULTPQSA-N	437.543	4.542	50	40	IJGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)c(Br)o1	96134122	SOPSTHHKPQUSLQ-JXMROGBWSA-N	440.091	4.749	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(F)c1	408890912	IILQNAFRSOLENP-LQKURTRISA-N	442.446	4.971	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Oc1ccc([N+](=O)[O-])cn1	409212863	REMNEBLGHNYIKL-ATVHPVEESA-N	436.468	4.537	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OC)c(OCC)c2)cc1OCC	409319477	GWQRNYBGACOPEI-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c(OC)c1	9693349	JBWJGNFYRMOIPN-HXUWFJFHSA-N	435.549	4.540	50	40	IJGB	
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(OCc2ccccc2)cc1	59417064	HJNXOPXVTGTHGA-WPWMEQJKSA-N	430.533	4.774	50	40	IJGB	
CC(C)Oc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(OC(C)C)c1	408526159	AQVJBPJMZYHTGA-KKMKTNMSSA-N	437.462	4.842	50	40	IJGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccc(OC)cc1OC	408884861	VSAAHDLVCIOEEX-VIZOYTHASA-N	435.307	4.633	50	40	IJGB	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409224223	KHJXJZXSYZBTLR-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
CC(=O)N(/N=C/c1ccc([N+](=O)[O-])o1)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1	8816870	YZTITODNQKXXLG-FSJBWODESA-N	435.827	4.838	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	9971622	HHAHVKJEFIGHSF-RMORIDSASA-N	448.262	4.999	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	23217786	UJQQJEJKDIUYFB-GHRIWEEISA-N	431.404	4.577	50	40	IJGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cccc([N+](=O)[O-])c3)cc2[N+](=O)[O-])cc1	32117149	ZUJMZMPHMJYKRA-XKZIYDEJSA-N	436.449	4.727	50	40	IJGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccc(Br)cc12)C(=O)NC1CC1	59087229	PPFNBTLJSPPUNG-OQLLNIDSSA-N	438.300	4.777	50	40	IJGB	
CC(C)N1C(=O)/C(=N/NC(=O)c2ccccc2OCc2ccccc2Cl)c2ccccc21	102977048	FFDBJLPAUHCHRJ-SLEBQGDGSA-N	447.922	4.808	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)c1	408566479	ACXDRLYGXWFJPL-BUVRLJJBSA-N	443.638	4.849	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	408878330	AKIZWIUXPXQVSZ-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc(C(C)(C)C)c1O	408884276	WNPXCOOVYFZPEM-MFKUBSTISA-N	425.529	4.978	50	40	IJGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nc4ccccc4n3C)ccc21	1293692	IUCHKWDQDCHPPQ-CVKSISIWSA-N	441.560	4.944	50	40	IJGB	
C=CCc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)c1O	8386377	MNRKJYAUKRDUPK-CVKSISIWSA-N	433.895	4.790	50	40	IJGB	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)NCc3ccc(Cl)cc3)c2)cc1	13133728	CGNDPMGGOQULBT-DEDYPNTBSA-N	445.906	4.824	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccncc3)c2C)c(C)c1	20243928	WMCMMYHZPOZFQW-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cccc(C)c2)c(OCC)c1	6162668	ROWLQJXTMDOIAX-HMMYKYKNSA-N	437.492	4.628	50	40	IJGB	
N#Cc1cccc(COc2cccc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2)c1	9204430	QCCBWLIQRWYHAY-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(C)\C=C\c2ccccc2)cc1	14920535	NCHREFJEXWKMQY-SKSABFEXSA-N	439.515	4.672	50	40	IJGB	biogenic
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc(Br)cc1	16137030	BBYGPQPSCHMBEL-BHGWPJFGSA-N	442.235	4.602	50	40	IJGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2c(C)ccc(C)c2C)c1O	67197005	GQYJWMYAWXMZMD-NUGSKGIGSA-N	425.312	4.552	50	40	IJGB	
C/C(=N/NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)cc1	96399305	MWDUEXGXRUJJPY-PKAZHMFMSA-N	440.446	4.786	50	40	IJGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccccc1OCc1ccccc1	108904749	YHBHHJXSDQPDNY-LQKURTRISA-N	435.483	4.529	50	40	IJGB	
O=C(N/N=C/c1cccs1)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2	408730969	XCPOKFRBMIOFAK-SSDVNMTOSA-N	426.339	4.795	50	40	IJGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1	409016263	SYJUJHJLGMGUHH-OGLMXYFKSA-N	437.499	4.930	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OCC#N	409029790	BKRTWWUQIKTWRP-QRQIAZFYSA-N	436.471	4.577	50	40	IJGB	
Cc1ccn2c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3cccs3)c(C)nc2c1	1016673	QTOQNLZQVABWHF-AFUMVMLFSA-N	440.532	4.629	50	40	IJGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	16137088	GBDPZBDRJTUTJO-OPEKNORGSA-N	427.810	4.502	50	40	IJGB	
COc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)cc1OC	257352026	IONBJZXZEQWLEE-LWILDLIXSA-N	434.399	4.832	50	40	IJGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1	408603732	GYMHATPNYJIIIZ-GOSISDBHSA-N	440.912	4.548	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(OC)c1OCC(=O)O	408813113	ODAZCZWBERQPKX-YVLHZVERSA-N	428.282	4.714	50	40	IJGB	
O=C(COc1cccc2cccnc12)N/N=C\c1cc(/N=N/c2ccccc2)ccc1O	409023108	DLKPLLMDFVDWAK-BBTJEBRRSA-N	425.448	4.885	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1[N+](=O)[O-]	409046832	KVRNSLLXXBLPCN-MYYYXRDXSA-N	426.432	4.583	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccccc1	409144071	NXHXOBSSYGUQFY-FCHUYYIVSA-N	428.513	4.511	50	40	IJGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1Cl	409322654	LDOBXAKAQMMZQV-FMCGGJTJSA-N	425.312	4.953	50	40	IJGB	
O=C(N/N=C\c1ccc(I)cc1)C(c1ccccc1)c1ccccc1	409391640	KJLOIJKGKVPOGB-HAHDFKILSA-N	440.284	4.573	50	40	IJGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)c(OC)c1	707310	UNHLTOUVOCVXGK-QHCPKHFHSA-N	447.510	4.784	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccco1	1254125	JTVCVYJAENTBFA-XIEYBQDHSA-N	445.548	4.777	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc(Cl)c1OC	14152171	LXWXISWVNGYZOE-NTUHNPAUSA-N	427.913	4.715	50	40	IJGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl	59332975	FMKWOBRCHFOKEY-ATVHPVEESA-N	430.335	4.648	50	40	IJGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408740630	HPJMVIANMUWJGB-ZMOGYAJESA-N	439.468	4.555	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408793663	FUYVDISEHJHIKW-MDWZMJQESA-N	438.783	4.962	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	408818672	QAIPPUVTAQQHOB-GDNBJRDFSA-N	437.839	4.740	50	40	IJGB	
O=C(Cc1ccccc1)N/N=C/c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12	409062928	DABJGVLRIKXGSU-UVHMKAGCSA-N	434.858	4.907	50	40	IJGB	
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)CCl)c1SCc1ccccc1Cl	1385360	BYGSPHRBEMQAKC-QPSGOUHRSA-N	426.247	4.501	50	40	IJGB	
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1	8683292	RDZDILYZMKFILU-TWKHWXDSSA-N	441.575	4.773	50	40	IJGB	
N#CC1=C(SCC(=O)N(c2ccccc2)c2ccccc2)NC(=O)C[C@@H]1c1ccco1	8970701	YSKBRISNFLIGJM-IBGZPJMESA-N	429.501	4.716	50	40	IJGB	
COc1cc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)ccc1O	9693232	DYALKZAPGNBORX-MRXNPFEDSA-N	441.940	4.582	50	40	IJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1cccc(Br)c1	9693428	DVJHZNKMDWDMNP-QGZVFWFLSA-N	444.329	4.808	50	40	IJGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O	13573618	GFAJFEODGXGRPV-INIZCTEOSA-N	443.315	4.729	50	40	IJGB	
COc1cc(/C=N/NC(=O)CC(C)C)cc(Br)c1OCc1ccc(C)cc1	28217832	QPAWRMPYNPYOLP-FSJBWODESA-N	433.346	4.841	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	35387137	YGVCMFGKYUUMBU-BRJLIKDPSA-N	439.512	4.636	50	40	IJGB	
O=C(N/N=C\c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1cccnc1	36046686	GGFSAHATZRDJSJ-MXAYSNPKSA-N	433.309	4.611	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(Cl)c1OC(C)C	408803669	RUEOGMJYXZBKFV-LICLKQGHSA-N	442.899	4.858	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc2ccccc2c1	2176396	HEMGGYSOJQPIFV-ZVHZXABRSA-N	441.325	4.920	50	40	IJGB	
Cc1cc(C)n(CCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1	2281234	HJKWHBYNUDJCHF-DHRITJCHSA-N	445.350	4.926	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1Br	14151961	UOVWGYHUMJTREL-MDWZMJQESA-N	442.338	4.815	50	40	IJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c1C	59471542	ZFIIDQRPKVBWHM-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
C/C(N)=C(\C#N)c1csc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)n1	104817714	RECSZLBHXZLMJQ-VKAVYKQESA-N	443.536	4.601	50	40	IJGB	
O=C(N/N=C\c1ccccc1F)c1ccc2c(c1)CN(c1ccc(Br)cc1)C2	408730141	NWOOPOXFNDBWSF-ROTLSHHCSA-N	438.300	4.872	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@@H]1c1ccccc1	409129208	IZWMOTISRQRIDG-ZWKOTPCHSA-N	447.343	4.665	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1	409319997	OKTRGRIPOUSVNZ-AWEZNQCLSA-N	432.332	4.704	50	40	IJGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)cc1	1439523	VNISJBYBBCRBMN-RCCKNPSSSA-N	426.472	4.906	50	40	IJGB	
C#CCSc1nc(C)c(Cc2c(F)cccc2Cl)c(OP(=S)(OC)OC)n1	2388210	ZTZZVJZIZMRGGW-UHFFFAOYSA-N	446.893	4.790	50	40	IJGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1[N+](=O)[O-]	3079763	SPSPUCKVVGRYBK-AFUMVMLFSA-N	441.528	4.846	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1	8722725	IVJIXOYYIQIRPV-XXTOWBJJSA-N	449.507	4.784	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CSc1cc(Cl)ccc1Cl	14234443	MLLVBKFTQPLPQL-UHFFFAOYSA-N	436.320	4.510	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)c(C#N)c1C	408546322	GOYNDRMPZVOXMJ-GZTJUZNOSA-N	444.512	4.985	50	40	IJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408812533	SQPQPDWTKPZOEZ-FBJMNJBLSA-N	431.305	4.989	50	40	IJGB	
Cc1ccc(OCCSC2=C(C#N)[C@@H](c3cccc(Br)c3)CC(=O)N2)cc1	409325548	ZVVLHCPFRUGESX-GOSISDBHSA-N	443.366	4.908	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2)cc1	408806212	MEBMUXDRBOFEEJ-OGTCDWKQSA-N	439.515	4.797	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC(=O)C[C@H]1c1ccccc1F	2311154	YCBUSLYPGNVAST-IBGZPJMESA-N	431.492	4.689	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	8812484	CJQATCRLPUKSHD-VULFUBBASA-N	430.439	4.809	50	40	IJGB	
CN1C=CC(=C(C#N)C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)C=C1	12761882	JHEXTSKZBIYMMV-UHFFFAOYSA-N	445.573	4.509	50	40	IJGB	
CCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	408613285	YQMVUFGZFNZSOW-OVVQPSECSA-N	445.519	4.533	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1OC	409309066	ASSOXBOKDCLYJY-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc2c(c1)Nc1ccccc1S2	33602591	YATBOLRMQYBMHK-FMCGGJTJSA-N	449.448	4.865	50	40	IJGB	
Cc1cc2c(cc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2C	208217137	CCCPULDFMWWEES-ANDSAHIGSA-N	440.569	4.868	50	40	IJGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br	408817330	VOLJVXXOPVLQSD-ZROIWOOFSA-N	433.277	4.931	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408846632	QYEPPPALNVVPIF-ROTLSHHCSA-N	435.867	4.956	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Oc1nc(Cl)ncc1F	409008492	XDWQAZSJVZFCEA-OQLLNIDSSA-N	438.846	4.924	50	40	IJGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1O	940847	PVKFAEKANQYCRN-SFQUDFHCSA-N	448.500	4.852	50	40	IJGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc(C)c3)s2)cc1	1740742	LMNXIYFILKZJJC-SRZZPIQSSA-N	428.608	4.690	50	40	IJGB	
C=CCN(c1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1	19937005	ZPHXYWWWEKXEOB-LHLOQNFPSA-N	447.560	4.530	50	40	IJGB	
CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OCCOc2ccc(C)cc2)c(OCC)c1	41108853	GTKVNJKSNGHKDZ-PDGQHHTCSA-N	429.900	4.975	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCC#N	59335694	LKHUSFNXGHLKHD-PDGQHHTCSA-N	436.309	4.934	50	40	IJGB	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1	409113918	GIRDIODXPKVGAD-XKZIYDEJSA-N	436.449	4.727	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)cc1OCC	409313781	DCWJYEAGOILULL-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	13134586	XCGVUJDZFOXODN-YSRWDZFWSA-N	435.543	4.733	50	40	IJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccncc1	13583187	WGDCVQRAZXUWPG-YUMHPJSZSA-N	449.967	4.766	50	40	IJGB	
CCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CC)c2ccccc2c1=O	102782475	DTXNJHDYCDGGOJ-UHFFFAOYSA-N	443.588	4.799	50	40	IJGB	
COc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Br	408962862	KPTOWBAHLBJRHM-GZIVZEMBSA-N	435.627	4.894	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	409059166	URBYZULMDLQPLS-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
COc1cc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1O	3154790	SVGHOEWOVVDNCB-CVKSISIWSA-N	426.557	4.784	50	40	IJGB	
N#Cc1ccc(COc2ccccc2/C=N/NC(=O)Cc2ccc(Br)cc2)cc1	9204154	JOKNKHGBJSOKRV-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
C/C(=N/NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(-n2ccnc2)cc1	13640498	HSFJISCIOITRHE-VEILYXNESA-N	440.503	4.687	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2cc(-c3ccc(OCc4ccc(C)cc4)cc3)n[nH]2)c1	33147671	OUVKXOHGEVTBHW-YUMHPJSZSA-N	440.503	4.737	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OCC	408748131	YXAXYIPGBOJDAS-VBKFSLOCSA-N	427.298	4.958	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408789011	HBXFRLFCBYFVLG-RIYZIHGNSA-N	445.700	4.669	50	40	IJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	408939135	IANTUMVHHCAUOB-BRJLIKDPSA-N	439.899	4.527	50	40	IJGB	
O=C(N/N=C\c1ccc(N2CCCCC2)cc1)c1cc2cc(Br)ccc2o1	408941061	JOKVPKPLYYEZHG-UCQKPKSFSA-N	426.314	4.950	50	40	IJGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1	408999844	SJRFTMMCGWVVRR-SANMLTNESA-N	435.527	4.897	50	40	IJGB	
COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1Cl	409198694	JVAALELPKIMRQH-IYAOEYEUSA-N	433.895	4.685	50	40	IJGB	
CCOc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OCC)cc2)cc1	8815726	IMALPVYECIGASW-POWJVNAZSA-N	443.547	4.575	50	40	IJGB	
CCc1ccc(OCCCOc2ccc(Cl)cc2/C=N/NC(=O)c2ccncc2)cc1	9969789	GGUQMTUDPPKMIA-WPWMEQJKSA-N	437.927	4.909	50	40	IJGB	
CCCCCCOc1ccc(OCCOc2ccc(/C=N/NC(C)=O)cc2OC)cc1	13896823	IGKMVJSELFCICR-XIEYBQDHSA-N	428.529	4.582	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Br)cc1	408770771	ACDIOOKGNKRIRQ-WQRHYEAKSA-N	443.341	4.858	50	40	IJGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(I)cc1	408782913	LCQHTCCIHUMCCC-YBFXNURJSA-N	444.725	4.577	50	40	IJGB	
O=C(COc1cc(Cl)cc(Cl)c1Cl)N/N=C/c1ccc(Br)o1	409000550	TXXKEIAQMXPJOU-BLLMUTORSA-N	426.481	4.531	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1	800453	LDYIZYMQGCXURL-HSZRJFAPSA-N	434.467	4.618	50	40	IJGB	
Cn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1cccc(Cl)c1	2356239	RTDZQKPGMWCKBF-ZMOGYAJESA-N	435.940	4.531	50	40	IJGB	
Cc1c(Br)cc(/C=N/NC(=O)c2ccccc2Cl)cc1Br	408589093	KPNYTCCNYDWWPB-UFWORHAWSA-N	430.527	4.937	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccccc3Cl)c2)cc1C	409010861	FRXDPXAHDSGLKM-VULFUBBASA-N	435.911	4.738	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccc(C#N)cc1	409206221	NFYPMDSWOHLPRD-CIAFOILYSA-N	443.528	4.821	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409238737	FLGQEMUCTRNOKG-JJBLJPBOSA-N	444.447	4.575	50	40	IJGB	
N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(=O)NCc1ccco1	863550	VUVLHEIVDTTZPV-NBVRZTHBSA-N	429.451	4.676	50	40	IJGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	2504513	UYPBRAFVRNHITK-VIFPVBQESA-N	436.217	4.632	50	40	IJGB	
COc1cc(/C=N/NC(=O)Nc2ccccc2)cc(Cl)c1OCCOc1ccccc1	4207665	YIRLYQAMBNELRP-PCLIKHOPSA-N	439.899	4.962	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408796172	NJHYMONXXARNEV-XYOKQWHBSA-N	438.783	4.962	50	40	IJGB	
C[C@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(F)cc4)o3)c2C(N)=O)C1	1294189	JUCIVKITMPHUNX-JMRXEAOASA-N	449.507	4.917	50	40	IJGB	
COc1ccc(NC(=S)NNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	1651141	VNBVXXOXAMYAFL-UHFFFAOYSA-N	428.517	4.542	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	58913234	ZXKUYIPDXXNNEY-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2C)c1C	408591880	VVHOAYPWSICWLA-WYMPLXKRSA-N	440.887	4.737	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408889152	AGNXBNIMDPNGKK-NTEUORMPSA-N	437.795	4.752	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1	408904640	MNNKMPYKVMKQKF-QFEZKATASA-N	446.463	4.911	50	40	IJGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)c1	409210968	MGRUQCKWCKGVBJ-WYMPLXKRSA-N	442.924	4.937	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1	8722497	HOZNIONPMXXYKQ-OVCLIPMQSA-N	434.261	4.646	50	40	IJGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccc(Br)cc4)CC(=O)N3C2)c1	9693412	FSLMASBRJBWDRE-SFHVURJKSA-N	440.366	4.977	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	96401729	GODOWCNHDPOBSQ-WQLSENKSSA-N	436.103	4.766	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408726164	QJYDMFGNFOBNQD-GDNBJRDFSA-N	443.297	4.664	50	40	IJGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	408772363	LFFSOISLJCYRAE-CFRMEGHHSA-N	427.957	4.999	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc(F)c1	408776035	LBHFAHNJVPZLRP-APSNUPSMSA-N	447.304	4.607	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1	408817465	XSDVTHIZHKUOTI-HMAPJEAMSA-N	428.488	4.506	50	40	IJGB	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)NN=C1CCCCCCC1	409025488	VPDFKPSWTLTOOA-UHFFFAOYSA-N	447.988	4.752	50	40	IJGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)c1	1056573	CYRRUAIRGCJHMF-QFIPXVFZSA-N	428.492	4.844	50	40	IJGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	12411785	OEVHDJCTNRESKG-QHCPKHFHSA-N	435.483	4.608	50	40	IJGB	
COc1cc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc(OC)c1OC	16195188	WGTPQLZLTRSQMT-VULFUBBASA-N	448.544	4.666	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2cccs2)ccc1OCCOc1ccccc1Cl	20819239	XCIPIIBGKAPDEV-BUVRLJJBSA-N	444.940	4.561	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1	33344922	OKFNGOHFIULHHA-KSEXSDGBSA-N	448.379	4.823	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccc(F)cc1	229844318	XOXSLZSBVUADSH-BJMVGYQFSA-N	440.066	4.602	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c(C#N)c1C	408545986	BKSPVSLLSPWXSY-UYRXBGFRSA-N	447.560	4.814	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c(OC)c1	408875765	KQGJBWXADZEYAQ-HYARGMPZSA-N	428.488	4.506	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Br)c1OC(C)C	408880647	GLBZBRVEWYCGDH-RIYZIHGNSA-N	433.277	4.930	50	40	IJGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1	408966519	NAIDXFHEXKNFGW-MZJWZYIUSA-N	432.911	4.825	50	40	IJGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(OCCOc2ccccc2Cl)cc1)c1ccccc1	409204405	GUPXNLNHJBBQIC-ADIMLFFHSA-N	433.895	4.555	50	40	IJGB	
CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1	2766146	KWXLXTCLQLFSRA-KMUCBOENSA-N	432.362	4.603	50	40	IJGB	
CCOc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)cc1	6577040	NHRWFZXWMCOFCE-GOSISDBHSA-N	425.941	4.958	50	40	IJGB	aggregator
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1OC	9971509	GKQGSDYNNQEOFR-LGJNPRDNSA-N	432.398	4.675	50	40	IJGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)Cc1ccc(-c2ccccc2)cc1	14922747	AWGJWYOQRXQDHH-TURZUDJPSA-N	429.520	4.734	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1	28640893	HLVXEQWQSBHCLW-ROTLSHHCSA-N	430.386	4.785	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)c1	33392757	XQFHDZMPFOAVMY-CPNJWEJPSA-N	429.451	4.697	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1	34857042	YWQCWICDVRKIPK-ATVHPVEESA-N	425.444	4.835	50	40	IJGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)o1	107753248	WTLJWQKAWULYGA-CVKSISIWSA-N	428.444	4.659	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Br)s2)c(C#N)c1C	408547040	QTVPOTJSKZCPAG-IZZDOVSWSA-N	449.351	4.648	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccccc2)cc1	409223646	GRXAGQGZVYIOIB-BFRREZCOSA-N	434.879	4.731	50	40	IJGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	8721812	GRASNILUDKZJBU-OPVMPGTRSA-N	432.263	4.544	50	40	IJGB	
O=C1CC(c2ccc(O)cc2)CC(=O)C1[C@H]([C@@H]1CC=CCC1)N(CCCl)CCCl	104125882	JTULRIBDHMEYEQ-CLXXRJCJSA-N	438.395	4.529	50	40	IJGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(C)cc3)o2)ccc1Cl	408528687	IBQRNEGRVJMKGF-LGJNPRDNSA-N	439.899	4.647	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC(C)=O)cc3)c2C)cc1	408746106	XIIXZBXAYFKMJL-QNGOZBTKSA-N	443.503	4.964	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC	408855086	DFASRVJSAFDAGE-QRVIBDJDSA-N	443.297	4.923	50	40	IJGB	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1	408996730	AHDMZQADLRYNBI-QHCPKHFHSA-N	431.536	4.992	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1cccc(C)c1	409195592	RBHXHMOEOZNQLC-ZVMZLPNLSA-N	427.504	4.730	50	40	IJGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)cc(I)c1OC	409370010	JIMILJIGOMLKFN-PXNMLYILSA-N	430.245	4.634	50	40	IJGB	
CN(C)[C@@H](c1ccccc1)[C@H](CBr)C(=O)c1ccc(Br)cc1	1754548	VETHZNPUMSWYSY-IRXDYDNUSA-N	425.164	4.946	50	40	IJGB	
Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C(=O)[C@@H]2Br)cc1	4962433	IJGWIJVDRKNPSK-OAQYLSRUSA-N	442.334	4.775	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1Br	9057376	RQBOWWFYDSQKPS-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccc(C(C)(C)C)cc1	12362477	WVMCSABFBQNINK-ZVHZXABRSA-N	430.346	4.881	50	40	IJGB	
COc1cccc(CC(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1	408994051	FJRKPVNWPVUFSI-JFLMPSFJSA-N	446.576	4.608	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)c1	409046112	ITEMCXZDQJYUKK-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
N#C/C(=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1	409071245	IVXCOHPBEIUQEB-LGMDPLHJSA-N	438.892	4.653	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(Br)cc1O	1011400	GDJMEMFYBBOSQP-FOKLQQMPSA-N	439.265	4.827	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nn2-c2ccccc2)cc1	408727838	XZCHRJOZKOEDSX-PCLIKHOPSA-N	425.448	4.520	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(F)c1	408737877	IREOWELNBZEICA-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccccc2C#N)c(Cl)c1	409126202	HANSYITXHIIGHT-QHCPKHFHSA-N	429.863	4.714	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Cl	409318972	ZCYIUBNWRGKIIP-CFRMEGHHSA-N	435.307	4.567	50	40	IJGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cnn(C)c3C)c3ccccc3n2)cc1	2109875	YEEGEYYUZBZYHN-JVWAILMASA-N	441.535	4.887	50	40	IJGB	
CCCCOc1ccccc1[P@](=O)(O)CP(=O)(c1ccccc1)c1ccccc1	2252200	AODFEJNRZGXQFY-UHFFFAOYSA-N	428.405	4.733	50	40	IJGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2O)cc1	2670413	RGQAKSDUEFPZQW-LFIBNONCSA-N	443.297	4.657	50	40	IJGB	
CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccc(O)cc1)=C\c1ccccc1	8384873	NRCONHIAHYHNKB-FBOYWDSYSA-N	439.515	4.650	50	40	IJGB	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Br)cc2)cc1	17099411	DRAPYGDIGRDRPI-JQFNYASXSA-N	435.325	4.932	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1F	59334668	VLMZEQWAZXSSLQ-SXGWCWSVSA-N	447.304	4.561	50	40	IJGB	
COc1ccc(C2=CS/C(=C(/C#N)c3nnc4n3-c3ccccc3SC4)N2C)cc1	103641147	DUMNPOCCCQEIBZ-JWGURIENSA-N	431.546	4.751	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccc(F)cc1	107921280	SAJWWLYUWWVBNY-PDGQHHTCSA-N	447.422	4.824	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cccc(F)c2)cc1	408878009	YROHCYOZEJFOFT-KGENOOAVSA-N	444.462	4.757	50	40	IJGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2ccccc2C#N)c(Cl)c1	409134969	PDNFVQRFHLGDRN-JOCHJYFZSA-N	431.879	4.605	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)o2)cc1	409235580	CJGRZKFNLHTFGG-XLNRJJMWSA-N	428.488	4.779	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)cc3)c2C)cc1	1170548	DSMVQZRMAISNLD-HAVVHWLPSA-N	440.547	4.785	50	40	IJGB	
O=C(N/N=C/c1ccc2ccccc2c1)c1cc(I)ccc1Cl	3068741	FOYHMXSOKZZVRO-SRZZPIQSSA-N	434.664	4.862	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2c(c1)OCO2	9264400	ILRAETCZZDLBGQ-KBKYJPHKSA-N	429.398	4.606	50	40	IJGB	
COc1ccc(-n2c(C)nnc2SCC(=O)NN(c2ccccc2)c2ccccc2)cc1	12528584	PNXDDITZHAOTFF-UHFFFAOYSA-N	445.548	4.546	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	97994798	FLZNQBSGSLFHGW-BOPFTXTBSA-N	433.395	4.564	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1	408718436	XYBGNIIHJLOWHA-RVDMUPIBSA-N	428.404	4.972	50	40	IJGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408720140	UBACMPMNXYTHTJ-AFUMVMLFSA-N	438.936	4.943	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1I	408792243	ADALOKBHXQYLKK-MHWRWJLKSA-N	446.288	4.852	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccccc2C#N)c(Cl)c1	409126200	HANSYITXHIIGHT-HSZRJFAPSA-N	429.863	4.714	50	40	IJGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1OC	409363966	MQXIZFHDZGMCMC-YSMPRRRNSA-N	438.911	4.629	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1C1CCCCC1	6657365	JTWLTKLFGQSOTK-TURZUDJPSA-N	429.564	4.996	50	40	IJGB	
COc1ccc(N/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1	100364480	SIBWJFQUTWDJKZ-KAMYIIQDSA-N	446.444	4.810	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc([N+](=O)[O-])cc2)c1	408871080	VUNGZYQDIKMJSI-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Br)c1)c1ccc([N+](=O)[O-])cc1	409201293	LCKZHCRCQSEYGF-XGICHPGQSA-N	437.633	4.538	50	40	IJGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)c1	1056575	CYRRUAIRGCJHMF-JOCHJYFZSA-N	428.492	4.844	50	40	IJGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC	408884526	ULIROYDOVXDRCJ-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	1107290	FEQPIPNKQMBNBE-IBGZPJMESA-N	439.855	4.959	50	40	IJGB	
N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@@H]1c1ccccc1OC(F)F	2790840	VLGCZQCQWDOPMT-LJQANCHMSA-N	446.413	4.952	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1OC(C)=O	9075744	ULKVYICOEAOICS-RQZCQDPDSA-N	444.468	4.915	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccccc1C	15009093	XVAKBFGFQSCBJZ-CPNJWEJPSA-N	438.487	4.962	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1Cl	59503416	RUFDCZSYOVQSGC-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C(C)=O)cc2)cc1	408763228	RSDKJZPZTQDXTI-HKWRFOASSA-N	440.455	4.663	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(Cl)c3)c2C)c(C)c1	408932564	XLDJMPWWBGJBAN-MXAYSNPKSA-N	438.915	4.998	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408946808	PZECNMKMZRYCSY-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1	408963028	LOQXZZSSDDCHEJ-JJFYIABZSA-N	434.364	4.582	50	40	IJGB	
CCOc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(Cl)cc1	409012737	RRTXTGMBWCSRFK-UFFVCSGVSA-N	425.710	4.550	50	40	IJGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)NCCCc1ccccc1	409244648	GUESWQVUSIJECI-SDXDJHTJSA-N	428.517	4.963	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1C	1051938	ORNOVDLXUCNWRT-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	2708490	BESYJBAYLUMEHP-SDNWHVSQSA-N	435.480	4.671	50	40	IJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	3582440	RLFQJSONWNVLDW-PXLXIMEGSA-N	426.472	4.906	50	40	IJGB	
Cc1cc2occ(CC(=O)OCC(=O)/C(C#N)=C3\Sc4ccccc4N3C)c2cc1C	13098383	OOKDAMMPAADJAE-MOHJPFBDSA-N	432.501	4.682	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(Cc2ccccc2)Cc2ccccc2)cc1	30836490	KZQONJGFSWBNKH-TURZUDJPSA-N	428.580	4.685	50	40	IJGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1Br	59437019	KYVROAIZNAVZLF-UFFVCSGVSA-N	440.794	4.552	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1	408814912	IAXXDAJAHGLMNI-MOSHPQCFSA-N	431.467	4.956	50	40	IJGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(I)cc1	408893083	FIVXPXKDXATFDF-XYOKQWHBSA-N	442.178	4.856	50	40	IJGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)COc3ccc(Cl)cc3Cl)c2c1	409020654	RQQTVOBGMBHIPH-MYKKPKGFSA-N	433.291	4.693	50	40	IJGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3)c3ccccc32)o1	409393922	TULWOQUOODDRPN-LGMDPLHJSA-N	425.444	4.615	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)c2C)cc1	681138	ACFKYBHFUSWZHN-CVKSISIWSA-N	429.524	4.521	50	40	IJGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)cc1	5287932	UXDYQHIZUJAMBA-HSZRJFAPSA-N	447.560	4.951	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)cc1	20197726	YBZIZEMVVKOSLC-WPWMEQJKSA-N	447.535	4.824	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc2ccccc2c1	408542292	KKKXIWNJOVIPHL-MZJWZYIUSA-N	437.455	4.898	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1	408758843	SGODMXKASNSJBQ-OGLMXYFKSA-N	437.499	4.930	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408788913	NBGWEIWNPBFKKN-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)NCCc1c[nH]c2ccccc12	408948420	GCWZIQFLVJRADH-AUWJEWJLSA-N	444.716	4.555	50	40	IJGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(F)c(Oc2ccccc2)c1	663567	YJTWOGDYSWUYFN-NRFANRHFSA-N	426.403	4.943	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(Cl)cc3)c2[C@@H]1c1ccc(OC(F)(F)F)cc1	664571	CUNDHBDKSCRHIV-OAHLLOKOSA-N	432.789	4.847	50	40	IJGB	
C[C@](Br)(CBr)CC[C@@](C)(Br)CBr	1692807	QSMYVVWMTNSLOB-HTQZYQBOSA-N	429.816	4.864	50	40	IJGB	
Cc1ccc2cc(/C=N/NC(=O)CCCCCNC(=O)OC(C)(C)C)c(Cl)nc2c1	13513315	CKUQYTFPGFADMZ-AFUMVMLFSA-N	432.952	4.732	50	40	IJGB	
Cc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	14134320	QWMJRCJZHGYXHE-UFWORHAWSA-N	430.527	4.937	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Br)c1OC(C)C	59116825	ORRPLAVIQZRXBY-RIYZIHGNSA-N	433.277	4.930	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C	408646419	IVKWLWZGCGUCHX-XLIONFOSSA-N	448.346	4.733	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cc([N+](=O)[O-])ccc1O	409149899	UUAYZLXYVIWHIN-BRJLIKDPSA-N	448.866	4.721	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1	409361832	PZTIWGZLGMSBDO-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)C(=O)NC4=O)n2)cc1	2236195	YJZDBOWOCURWNL-SFQUDFHCSA-N	428.517	4.869	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1ccccc1F	2311153	YCBUSLYPGNVAST-LJQANCHMSA-N	431.492	4.689	50	40	IJGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2)c1	3170242	WJGKPFDVUPMYKQ-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1)OCO3	3628381	XQSVUKAMXLESMF-QHCPKHFHSA-N	432.863	4.866	50	40	IJGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1	9425590	OEMACTKTIVUWFS-CVKSISIWSA-N	445.947	4.856	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	408738267	TVJJEZPKYSLNOE-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC)cc2Br)c1	408744209	DKMDFPAEAJNKHP-DHDCSXOGSA-N	445.313	4.801	50	40	IJGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1	408754818	OJAOXZHVOUGYDB-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)c2ccccc12	409205566	DBVLGOAGNFDGAL-UDWIEESQSA-N	428.488	4.827	50	40	IJGB	
NNC(=O)c1ccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1	2574861	HCUGCELAJLSXDH-UHFFFAOYSA-N	435.833	4.527	50	40	IJGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)ccc1O	6135434	OSHWCHCREYNBFC-GOSISDBHSA-N	435.549	4.573	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1cccs1	9979972	IWOVUXVIPXENFE-LLVKDONJSA-N	438.361	4.765	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	59471522	LWGCYKZSGFOECO-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)c([N+](=O)[O-])c1	408532115	PQBQCCSPZFLFJZ-KBKYJPHKSA-N	446.385	4.744	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1	408765276	OSYFSYMDFOCLLS-FSJBWODESA-N	442.928	4.898	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)NCc1ccccc1	409041429	AAUWYDSVNYQCNF-DEDYPNTBSA-N	445.906	4.581	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1	409133545	MDSDXHUIKZFRBH-XMMPIXPASA-N	447.510	4.533	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1OC	985832	GBASLFKGRHMFFN-NRFANRHFSA-N	430.508	4.511	50	40	IJGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1Br	1880002	QWLXWXWMVFFLCM-ZVHZXABRSA-N	439.309	4.897	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCOc1ccc(C(C)(C)C)cc1	8861509	NISUUIUFJHJRJK-MTDXEUNCSA-N	447.535	4.609	50	40	IJGB	
Cc1ccc(NNC(=O)c2cc(S(=O)(=O)Nc3ccccc3C)ccc2C)cc1Cl	30541452	OIPSITIDDQKAGM-UHFFFAOYSA-N	443.956	4.823	50	40	IJGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	210607046	IPFLNTYJRJRGKH-YBEGLDIGSA-N	429.314	4.964	50	40	IJGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2c(C)cc(C)cc2C)c1Nc1ccccc1C	408708615	RJCQXYRMWUMSJR-JFLMPSFJSA-N	444.535	4.761	50	40	IJGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cc2ccccc2nc1Cl	1051244	GSQGATDENPJWOA-LJQANCHMSA-N	431.879	4.670	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OC(F)F)sc2c1CCCC2	1455632	QWBIOPSXJCUURD-SDNWHVSQSA-N	446.475	4.951	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc2ccccc2c1	8685645	UNECYWUZUSMZTQ-LFVJCYFKSA-N	449.557	4.856	50	40	IJGB	
COc1cc(OC)c([C@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	9008596	PMUOFPWAARLTGP-LPXYKDPNSA-N	446.551	4.578	50	40	IJGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1)c1cccc(Br)c1	408897420	SAJBJTUXPABZEK-ZMOGYAJESA-N	441.256	4.571	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c1	408960459	LXALGKCIYNHVDB-STZFKDTASA-N	442.471	4.908	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnc(C)s3)c([N+](=O)[O-])c2)cc1	408993901	XZANPYVSLNCTAQ-OQLLNIDSSA-N	437.506	4.760	50	40	IJGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(F)cc1	409086524	VUSRUIJLDUAZHU-RVDMUPIBSA-N	448.366	4.980	50	40	IJGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)NC1CCCC1	409190284	RLIRMEHVJGAMDC-PDGQHHTCSA-N	425.326	4.994	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1F	409230195	XKTXENQCWBHDHY-ROTLSHHCSA-N	446.295	4.828	50	40	IJGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1	1436481	ZLMPKOKSRSLPDV-GOSISDBHSA-N	444.329	4.954	50	40	IJGB	
CCCSc1nc(NNC(=O)c2ccco2)c2c3c(sc2n1)CO[C@@](C)(CC)C3	2404567	NHXNWEUTAIVPQR-FQEVSTJZSA-N	432.571	4.785	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1	9581106	MUMUEGSTOZCQCO-BXKMTCNYSA-N	432.483	4.738	50	40	IJGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	33694014	AGYJUXFHJGOFGA-XNTDXEJSSA-N	445.313	4.888	50	40	IJGB	
C[Si](C)(C)O[Si](C)(O[Si](C)(O[Si](C)(C)C)c1ccccc1)c1ccccc1	195752024	MRUHXDZUINGBFB-UHFFFAOYSA-N	434.833	4.664	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Br)c1OC	210428773	JUMVUXNYZGUZIF-AYCSXLNKSA-N	429.314	4.641	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1	408945028	WKFHDMUIKUSIGL-UVHMKAGCSA-N	442.441	4.510	50	40	IJGB	
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2)cc1	409210155	FGGAUAFCDVMDQC-ZHZULCJRSA-N	436.471	4.731	50	40	IJGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(Cl)cc1	12250203	FDDQWJQCPXTPOH-JOCHJYFZSA-N	437.952	4.997	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(C(=O)O)cc1	13339622	GMHKWTVSOUQPBJ-RVDMUPIBSA-N	437.249	4.953	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccccc2Br)cc1	16291548	KWWYFKYLFQCUOI-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	408736880	BLXHOQAJCXLRSF-JFLMPSFJSA-N	433.895	4.953	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408761674	KORRIKADYWXRGC-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408801092	SQWPEHIEZAIMCJ-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1Oc1ccccc1[N+](=O)[O-]	59475432	OHIKTSNJGBZONI-YDZHTSKRSA-N	425.828	4.813	50	40	IJGB	
COc1ccc(S[C@@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1OC	100019307	IONBJZXZEQWLEE-DOVSJBTNSA-N	434.399	4.832	50	40	IJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c1	408871352	XVIYHQQEBRPVIZ-NHDPSOOVSA-N	428.242	4.690	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc(Br)cc1	409361959	FSKRXARKNNGLRA-UFFVCSGVSA-N	432.205	4.520	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1c(C)cccc1C	9969791	BHWRQOWJZCHMDP-MTDXEUNCSA-N	447.535	4.709	50	40	IJGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@@H]1c1cccs1	20029010	JOYOWRYCZKBGBG-OAQYLSRUSA-N	436.558	4.789	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccc(Br)cc1	60512527	BYFRJPKAVQJWBD-LDADJPATSA-N	441.325	4.566	50	40	IJGB	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(OCC(=O)Nc2cccc(C)c2)c1	409045002	XDRHQUYVXAFOKU-DEDYPNTBSA-N	443.459	4.994	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)c2C)cc1Cl	409063249	JKKQOFDKKZCDMK-WKIKZPBSSA-N	438.959	4.935	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C	409255468	KRVVKHISSLKSNH-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
Cc1nc(Cl)c(C[C@@H](Br)CBr)c(NCc2ccccc2)n1	2254574	BYDDQTQOWUEJJU-GFCCVEGCSA-N	433.575	4.751	50	40	IJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1ccc(Br)cc1	9693422	AXISEQWJZWXDBR-KRWDZBQOSA-N	426.339	4.669	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1	13923361	ZJDUJPHIKYRWGK-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
Cc1ccnc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1	34799468	QDAKDVWRRRLTML-WYMPLXKRSA-N	433.493	4.684	50	40	IJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1C	58913714	HOWGFOBVTQLOKZ-LQKURTRISA-N	438.531	4.953	50	40	IJGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1cccc(F)c1	226335787	WPWYFTLQTYWHCJ-AATRIKPKSA-N	446.643	4.797	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)c1	408954769	UZJQEWOALFLDMW-POHAHGRESA-N	440.091	4.749	50	40	IJGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c1OC	2352673	UETVDLYFDJZDDX-KRWDZBQOSA-N	441.940	4.577	50	40	IJGB	
C/C(=N\NC(=O)c1ccco1)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1	19630721	ZGHVSTULTOWMPM-WBILBPDKSA-N	439.899	4.801	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C1CCN(Cc2ccc(Cl)cc2)CC1	20469903	GICONWPGVWBGCC-BHGWPJFGSA-N	440.758	4.715	50	40	IJGB	
CN(C)C1=NP(c2ccccc2)(c2ccccc2)=NC(C(Cl)(Cl)Cl)=C1C#N	102138393	FCDDDEVZTYALQI-UHFFFAOYSA-N	437.698	4.875	50	40	IJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408798254	VJGBSSPVSTVPMZ-AWNIVKPZSA-N	435.705	4.974	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409202624	SFWALAPVMFTBOR-KEBDBYFISA-N	427.751	4.744	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c(O)c1	409392519	PZCNMPVXAIQQNA-LGJNPRDNSA-N	433.895	4.821	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20247162	XVZUZBVLYRNMIW-DXPRYJPLSA-N	449.963	4.878	50	40	IJGB	
O=C(CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1	59436981	SJLMVJKHTCJURX-UHFFFAOYSA-N	447.988	4.752	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Br)cc1OCC#N	408798686	WODSQQANSAHMME-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408968024	YSJXCLQVJQRCOH-SSDVNMTOSA-N	447.432	4.725	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cccc(C)c2C)cc1	409027123	AEBMNEONFGUYJJ-UHFFFAOYSA-N	441.597	4.634	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)cc1	409364596	YAINAJDOKVEDEN-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c(C)c1	3100988	APZHGLZKAUTZPM-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1	15012376	IRPWFKYMQXZUBJ-CEUNXORHSA-N	437.543	4.789	50	40	IJGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1	58900745	NZKVDJWGLINCDP-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
O=C(CI)c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2	199985739	QQYOCPOGDNXRRN-UHFFFAOYSA-N	442.252	4.977	50	40	IJGB	in-vitro
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1O	408751669	BHZZKGVZHCWKPB-CVKSISIWSA-N	426.557	4.784	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1	408765324	VHYCZUHGMXZFEA-QNGOZBTKSA-N	425.488	4.867	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccccc1F	409193059	AWGSUAKDHQWYSW-NDPRVOFDSA-N	431.467	4.561	50	40	IJGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)c1C	409314394	FZIKAHIJNDOITA-KRWDZBQOSA-N	425.941	4.667	50	40	IJGB	
N#C/C(=C\c1cc(Br)cc(Cl)c1O)C(=O)NCCc1c[nH]c2ccccc12	1101256	MTXRJMPTLUPCNJ-VGOFMYFVSA-N	444.716	4.555	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1c(F)cccc1Cl	3335176	UDRAADSGLMBQER-RPPGKUMJSA-N	427.863	4.616	50	40	IJGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	12250190	GQGOEHKYSODSOI-KRWDZBQOSA-N	425.941	4.613	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1	13810185	QPTOIDHPXJTIMP-QNGOZBTKSA-N	442.471	4.908	50	40	IJGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1	104799082	HEXVXOWHAONXPO-XLNRJJMWSA-N	445.592	4.945	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(OC)c2)cc1	408880250	FRWZZRCJGXAHRL-FYJGNVAPSA-N	444.462	4.757	50	40	IJGB	
CCc1sc(C(=O)NNC(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1C	12849969	LKPXQSMLJNYZRZ-UHFFFAOYSA-N	446.532	4.719	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)c2ccc(F)cc2)c1	15994310	GWHROODQBCZHSU-WYMPLXKRSA-N	444.260	4.588	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408733883	CBGAFPPZFQZXGU-LICLKQGHSA-N	442.899	4.535	50	40	IJGB	
C#CCOc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)cc1OC	408812653	NOJAVFZVEPHNPX-NTEUORMPSA-N	445.700	4.669	50	40	IJGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1	409219082	IUCZYMGLWJZDKX-MXAYSNPKSA-N	443.286	4.985	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OCC	409301183	DDSIDWONHQNXIM-MYYYXRDXSA-N	446.931	4.865	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C(F)(F)F)c3)=C2C#N)cc1	409325473	YXCDOPMYJJRDTG-QGZVFWFLSA-N	445.466	4.724	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	2271169	ZZRQFFVWRVCRTJ-GHRIWEEISA-N	431.404	4.577	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)c(C)c1	58912831	QSNDMBHFSFLAMQ-JFLMPSFJSA-N	430.552	4.923	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1	408763656	QCRRSRAYAGTFFY-XSFVSMFZSA-N	445.906	4.581	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2)cc1	408765424	PMVGYBCARNYCMW-XSFVSMFZSA-N	432.501	4.617	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)c(C)c1	409254733	FHWNMBWHWVGRAY-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCOc1cc(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1O	1445494	XYONSQRKQDYZBV-DNTJNYDQSA-N	432.101	4.624	50	40	IJGB	
CN(C)c1ccc(/C=C(\C#N)c2nc(CSc3nnnn3-c3ccccc3)cs2)cc1	27030056	JYXUZUFTVNMHGD-SFQUDFHCSA-N	445.577	4.541	50	40	IJGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)COc1cccc2ccccc12	100059440	BZALNMGCKJDPTG-RWPZCVJISA-N	443.425	4.758	50	40	IJGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408998125	ICWDSDDLKJHOJB-YDZHTSKRSA-N	446.960	4.622	50	40	IJGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409179605	QOJZLZPQLLZLFU-BHGWPJFGSA-N	432.307	4.584	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1Br	409322097	KKHLMSMJDCPIPZ-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
CCOc1cc(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)cc(OCC)c1OCC	3373954	LNEQDPRQBNAKKV-UHFFFAOYSA-N	447.841	4.707	50	40	IJGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(Br)cc4)CC(=O)N3C2)c1	9693411	FSLMASBRJBWDRE-GOSISDBHSA-N	440.366	4.977	50	40	IJGB	
CC1=C/C(=N\NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)CC(C)(C)C1	12618241	HANWTBQMSARDNB-LYBHJNIJSA-N	445.972	4.993	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cc(C)ccc2C)cc1	408827627	FKZVVSVFQISMBA-UHFFFAOYSA-N	441.597	4.634	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(Br)c1OCC(=O)O	409039732	DETAIMALXKCGGD-NTUHNPAUSA-N	443.253	4.517	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)c(OCC)c1	957975	IOHCJXQXYKWIEG-LFIBNONCSA-N	444.281	4.537	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)cc1Br	14408894	PUWHJBAYZJMIGM-WYMPLXKRSA-N	425.330	4.511	50	40	IJGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(c1ccccc1)c1ccccc1	16136810	CKYFOJPWWKYICD-UXHLAJHPSA-N	443.591	4.642	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc(C)c1	107894149	DIHYRCNGQGVQLV-MTJSOVHGSA-N	442.471	4.827	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OCC)c(OC)cc2Br)cc1	408767960	ATMZQSUFDHYYJQ-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1	409064181	CIPWXSZMDMHZGP-STZFKDTASA-N	442.471	4.908	50	40	IJGB	
N#C/C(=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)C(=O)Nc1ccc(Cl)cc1	409083404	AIWLRANJOCPAGD-GXDHUFHOSA-N	437.868	4.735	50	40	IJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)[nH]c2c1	409393273	WRJKFJGQQYSIJI-UYRXBGFRSA-N	438.487	4.962	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1Cl	58913710	QHKUUHFFTPKNKJ-JFLMPSFJSA-N	444.922	4.990	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1	408541800	HTJYQLLHGYJEDM-NDENLUEZSA-N	428.444	4.518	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cc([N+](=O)[O-])ccc3C)nn2-c2ccccc2)cc1	408725433	OXCVMRDULKHRPD-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccc(F)cc1	408915760	ZUNPWOVTYSKZAF-MZJWZYIUSA-N	436.483	4.559	50	40	IJGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2Cl)c1)C(=O)Nc1ccc(O)cc1	409268919	ZQXZVQHWAZEMTQ-SFQUDFHCSA-N	447.878	4.609	50	40	IJGB	
N#CC1=C(N)N(c2ccc(Br)cc2F)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1	707177	SEYABCJTAVLBJC-GOSISDBHSA-N	444.329	4.954	50	40	IJGB	
O=C(COc1c(Cl)cc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(Cl)cc1Cl	3080285	JEYFUPWVUIUKSG-CGOBSMCZSA-N	437.066	4.738	50	40	IJGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1	3144772	GVGMSKKETZDLJW-ZMOGYAJESA-N	427.501	4.543	50	40	IJGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	408778413	UFHJUGDXSNCVNO-YBEGLDIGSA-N	429.314	4.964	50	40	IJGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC	408807559	CQYLKNLTBBAMFY-ZROIWOOFSA-N	433.277	4.931	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c1C	409069153	VGSRZKONXNEUJK-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)c1	409173524	JHSMELWUPUXNLN-DHRITJCHSA-N	440.883	4.694	50	40	IJGB	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1C	664709	GTUHIYBSRIHWOS-KRWDZBQOSA-N	439.288	4.813	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1	9831807	BHOJZLUNCPIVRI-HSZRJFAPSA-N	434.879	4.851	50	40	IJGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1	16713628	YILLWRLIWCDPIR-CJLVFECKSA-N	434.499	4.771	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CSc3ccc(C)cc3)cc2)cc1	28215205	DIYZWNBTHNIRJD-CVKSISIWSA-N	447.560	4.563	50	40	IJGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1cccc(C(=O)O)c1	33779783	XCVGPLFUVHRZNH-LCYFTJDESA-N	437.795	4.752	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	408568252	SFCATPLTNVJTNP-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Br)c1OC(C)C	9553907	BCITXKCVLBHILG-WOJGMQOQSA-N	443.341	4.511	50	40	IJGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc(NC(=O)c2ccc(F)cc2)c1	18194732	RNVKBHQZJZRXOX-JFLMPSFJSA-N	427.435	4.701	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1ccc(C#N)cc1	20195215	FSCUELDWGFOXGV-STBIYBPSSA-N	441.531	4.846	50	40	IJGB	
COc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1OC	71789921	IONBJZXZEQWLEE-NOOVBMIQSA-N	434.399	4.832	50	40	IJGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1	408773833	SXHMXCDWJIJQNP-STBIYBPSSA-N	435.527	4.868	50	40	IJGB	
COC(=O)c1ccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc1	408973081	RTMPCGHDFSTFKL-AFPJDJCSSA-N	437.304	4.767	50	40	IJGB	
Cc1ccc(CN(c2ccc(C(=O)NN=C3CCCCCCC3)cc2)S(C)(=O)=O)cc1	409025403	QTSDUPWERBPGOF-UHFFFAOYSA-N	441.597	4.791	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccccc1	409229437	OZDYFFHAQQQLIH-OSVNEOKWSA-N	427.460	4.958	50	40	IJGB	
CCOc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)cc2c1	870413	CSEFQIOLYJABGR-LJQANCHMSA-N	441.915	4.710	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1cc2c(ccc3ccccc32)o1	1010997	SQHFOZQUQMEZTE-LSHDLFTRSA-N	425.238	4.524	50	40	IJGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC	1818789	ZXLZRTFATZYVNX-QHCPKHFHSA-N	430.508	4.505	50	40	IJGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	3090054	LYWWRRBHKSTPEO-AFUMVMLFSA-N	438.936	4.943	50	40	IJGB	
CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1	4290897	CVUPJRIXYJAIRS-SVWIXSIKSA-N	449.503	4.963	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc(C)c1	59334723	PWOJNFOTLHEADP-ZDLGFXPLSA-N	443.341	4.730	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	208247979	KGLPRFBNDHOPDQ-FWWWNHOTSA-N	429.948	4.600	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OCc1ccccc1	408726032	OTMKCNIIZYNVSQ-FSJBWODESA-N	443.297	4.702	50	40	IJGB	
COc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)ccc1O	6177646	QHVQOSHGEAZMOV-HNNXBMFYSA-N	441.940	4.582	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)c(Cl)c1	6444740	GYPYISYCYSJZJO-AUEPDCJTSA-N	431.235	4.853	50	40	IJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1OC	8812706	DOCWJOZFWHMXBY-YDZHTSKRSA-N	427.298	4.774	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)o2)cc1	8843136	LBNLTFARMYZALS-STPJHCLOSA-N	436.533	4.895	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1	59445094	HWLUBJMHUOGXJM-LGJNPRDNSA-N	442.874	4.596	50	40	IJGB	
CCOc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(Br)c1O	100195441	HHFJKFHRYRLALI-ACAGNQJTSA-N	437.297	4.562	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1	223506122	FBOYRPJFQBWCIQ-DICXZTSXSA-N	435.568	4.943	50	40	IJGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408610253	MZTMNSRXPIRWCG-LQKURTRISA-N	447.510	4.618	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)NCc1ccccc1	409219042	MQLKRKXQVSIQPS-XSFVSMFZSA-N	445.906	4.581	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)o1	2197200	DCNZODDMKOTPHQ-HNNXBMFYSA-N	430.327	4.570	50	40	IJGB	aggregator,in-vivo
CC/C(=N\NC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12)c1cc(O)ccc1O	13322340	XMLXMTXACQAGSW-XAYXJRQQSA-N	441.487	4.866	50	40	IJGB	
O=C(CBr)CCn1c2ccccc2c2cc(I)ccc21	40227625	NVRZDOCQSWJMMK-UHFFFAOYSA-N	442.094	4.753	50	40	IJGB	
COc1cc(OC)c([C@@H]2[C@@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	43409596	PMUOFPWAARLTGP-YAEBDLLGSA-N	446.551	4.578	50	40	IJGB	
FC(F)(F)C(F)(OC(F)(F)C(F)(F)CCI)C(F)(F)F	103539083	QEYKKUPIODYIBO-UHFFFAOYSA-N	439.990	4.847	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OCC#N	408745786	PDKHSYHQAZGPIA-JYRVWZFOSA-N	446.688	4.559	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC	408762648	LQGUFTQFTOHINN-ZVBGSRNCSA-N	446.128	4.927	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)ccc1OCc1cccc(C(=O)O)c1	408852786	IEZPWVSMIYPGKA-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1	409006988	LZRPDYRJPOFTMH-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
COc1ccc([C@H]2CC(=O)NC(SCCOc3ccc(C)cc3)=C2C#N)cc1Cl	409336305	RMADDUZKHRYMIP-QGZVFWFLSA-N	428.941	4.808	50	40	IJGB	
O=C(c1ccco1)N(NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(Cl)c1	8426628	BTLXNJAKRMPVPZ-UHFFFAOYSA-N	446.890	4.547	50	40	IJGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(OCc3ccc(Cl)cc3)cc1)C(=O)N2	14008803	XEVBNSCBHHBGPP-UHFFFAOYSA-N	433.895	4.622	50	40	IJGB	
COc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)c(C(=O)O)c3)c2C)cc1	408949945	TWBBJVHGUHQRSA-MSXFZWOLSA-N	440.887	4.610	50	40	IJGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cc2cc(Cl)ccc2o1	409023195	UPIWHXIGLJZBIX-MYKKPKGFSA-N	436.811	4.946	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C(=O)O)c1	409216554	JHQIAQIXCZCMBJ-JAIQZWGSSA-N	430.416	4.945	50	40	IJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/C=C/c1ccc(Br)cc1	3102348	PGQGACRSWPPYBL-NNYRQTCXSA-N	428.113	4.950	50	40	IJGB	
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)NNc3ccccc3)C2=O)cc1	8819810	VKBUAPXZIACNME-SILNSSARSA-N	439.606	4.900	50	40	IJGB	
CSc1ccc(/C=C2\CNCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1	12371885	HFJDDCKHGKRXBV-JRVGGCGHSA-N	433.602	4.879	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1OC	28217744	JWXBOBTXCXYFAH-KOUDTOEKSA-N	449.370	4.653	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)c(Cl)c1	58912866	ZKKJSGCYIUWISJ-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	408592563	ZJVVTIVJASMBGB-ZVHZXABRSA-N	440.341	4.558	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(Cl)c2)cc1OC	409316767	MJDPRESTVMRZRK-FMCGGJTJSA-N	425.312	4.953	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2cccc3cccnc23)cc(Cl)c1OC(C)C	16688292	DCJSSHUDGMSPGW-LGJNPRDNSA-N	441.915	4.603	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	60514495	HELFFJGETYOKGE-GZTJUZNOSA-N	434.427	4.696	50	40	IJGB	
O=[P@@](Nc1ccc(Br)cn1)(c1ccccc1)c1nc2c(s1)CCCC2	101023665	HQFDPGGFSQZJCF-DEOSSOPVSA-N	434.299	4.520	50	40	IJGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2)cc1	408899250	OONVPQDIHAMQEQ-DEDYPNTBSA-N	441.443	4.977	50	40	IJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	409385325	HQFBVKTWXDOKQA-AFUMVMLFSA-N	438.325	4.590	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OC(=O)c1cccc2ccccc12	8456299	UVGIJMVLLYDXFP-JVWAILMASA-N	440.455	4.537	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1	16408809	AOPVJIPZSURWQH-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1cc(Cl)ccc1OCc1ccccc1Cl)C(C#N)=C(N)O2	32511750	KPNJJQFHFOGCSB-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(SC)cc1	38682068	BXRVSUPYGLHIHX-QHCPKHFHSA-N	444.512	4.854	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)COc2ccc3c(c2Br)CCCC3)cc1	59459336	QLXAIRHYNGVMNK-ZMOGYAJESA-N	429.358	4.980	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408567940	GZMULSLRPRPEHN-QPEQYQDCSA-N	426.245	4.549	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OCC#N	408798679	WPPZTDIBYBJURF-MHWRWJLKSA-N	440.297	4.604	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1	408938753	RKLGOFOSKYQOBJ-NDENLUEZSA-N	430.435	4.737	50	40	IJGB	
CCC[C@@H](C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccccc1	9644484	MJEWMSVJMPNICQ-JOCHJYFZSA-N	448.592	4.731	50	40	IJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)cc1	10059245	CQICXCDVBKVFRO-GRYBOKQVSA-N	446.503	4.941	50	40	IJGB	
Cc1ccccc1OCC(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C	20243710	ATPDLSDYVANVKB-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Oc2ccccc2)cc1	58884695	FYRLVQCKTTXPTG-ZMOGYAJESA-N	428.275	4.875	50	40	IJGB	
Fc1c(F)c(F)c(P(Br)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F	100045710	WDFHFZAPZSABGO-UHFFFAOYSA-N	444.990	4.820	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccc(C(F)(F)F)c1	408569828	QIIILKZELSSGEN-FOKLQQMPSA-N	426.485	4.713	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1	408707261	IMUQVGKUANCEGE-AEIQVQRHSA-N	434.927	4.720	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC	408818197	YDFCREPGAHGFLO-GDNBJRDFSA-N	443.272	4.545	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(C)cc3)c2)cc1	409225484	QCXYEGFUJNZFGQ-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2)c1C	409266796	RKXKJTLLWUXFAC-DEDYPNTBSA-N	441.487	4.572	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	1453284	LJOIYTHXEFUDHR-DTQAZKPQSA-N	431.404	4.577	50	40	IJGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	33404013	XNNGMDYHXNLCEL-UFFVCSGVSA-N	433.873	4.634	50	40	IJGB	
Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)CCN4CCCCl)C(O)=NC2=S)cc1	33592316	NBKHOJSHRYVFNI-RGEXLXHISA-N	439.968	4.658	50	40	IJGB	
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C	118935704	LULGNBXHOOJRRU-FQJIPJFPSA-N	441.395	4.988	50	40	IJGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408760083	RGFMOTDXEMXJSS-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408966043	YTLFZCZWONQIKB-UVHMKAGCSA-N	443.425	4.663	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)c1C	409205104	LUPHFPFQDGGJIG-WSDLNYQXSA-N	427.504	4.663	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	409225100	OWAWWXMCFHNCAZ-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccccc1	409226640	VUQSBLSJXXGWKE-QXXZEVIWSA-N	449.850	4.631	50	40	IJGB	
N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cc3ccccc3oc2=O)cs1	1770196	BLSUKNYETMTYHZ-JLHYYAGUSA-N	434.408	4.940	50	40	IJGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c1C	2071589	SZWZWACMASPJLK-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)Nc1ccccc1)NC(=O)[C@@H]2C#N	8969984	NFLUXWGKDFCODQ-YBBVMAFNSA-N	436.581	4.586	50	40	IJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1OCc1ccc(F)cc1	9635675	ABSLGYABRCLSOA-QGOAFFKASA-N	446.434	4.657	50	40	IJGB	
C/C(=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	9849714	MONSHZVKUOXOKA-XIEYBQDHSA-N	430.464	4.580	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c(Cl)c1	15229373	UBQVEAJDPJCYDI-AUEPDCJTSA-N	447.278	4.779	50	40	IJGB	
CC(=O)N1CCC(=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)CC1	17095990	OYBDGTHHXJJEFY-UHFFFAOYSA-N	428.536	4.753	50	40	IJGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21	409366457	VEAIYKVSICNQNJ-IPPBACCNSA-N	441.922	4.777	50	40	IJGB	
CCN(C(=O)CCl)c1c(Br)cc(Br)cc1Br	1421548	BAGOLPXHSNNFNA-UHFFFAOYSA-N	434.353	4.566	50	40	IJGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1OC	1437979	LYMCYEBEDAWQAA-INIZCTEOSA-N	443.290	4.619	50	40	IJGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	2673537	JSGQXIYNVNUTNH-CIRUFVMISA-N	436.895	4.785	50	40	IJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	9057386	IWNLWDNLQOKILT-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1O	32578324	MICZLXPEISVECG-QRVIBDJDSA-N	425.282	4.594	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	33355032	ONPHWZYWHRXFCX-UHFFFAOYSA-O	438.487	4.822	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccc(OCC)cc2)C3)cc1	408733937	SIOHLJRWNDDAHV-JVWAILMASA-N	429.520	4.768	50	40	IJGB	
O=C(NN=C1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1	408973368	MBVWKUKGDQOXMG-VWLOTQADSA-N	435.593	4.943	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	409011487	NMQNQWRDEXKEGX-CICSQNLLSA-N	436.939	4.904	50	40	IJGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1	409083555	SWBGYFJNGUSOBU-GDNBJRDFSA-N	448.366	4.980	50	40	IJGB	
CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409159022	YTPQRJYYZSNACI-XFBJJFJZSA-N	438.959	4.780	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C#N)cc3F)o2)c(Br)c1	1053846	JLEKTTNDZUJUCQ-BHGWPJFGSA-N	426.245	4.792	50	40	IJGB	
COc1ccc(/C=N/NC(=O)[C@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC	1444662	ZYKHUXQCABBWLY-ZVMZLPNLSA-N	428.532	4.777	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1	3113053	YNIJHGHRBUXSHJ-ZXVVBBHZSA-N	438.535	4.544	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccccc3O)c2C)c1	20243886	MBGHVUKZSPUZQU-WYMPLXKRSA-N	440.341	4.943	50	40	IJGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	408527530	OPZRRZNAZGAYBW-ZVHZXABRSA-N	439.309	4.557	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(C)cc1	408789876	OFEQKPQEPUXERQ-NVMNQCDNSA-N	443.341	4.777	50	40	IJGB	
O=C(N/N=C/c1ccccc1OC(F)F)c1ccccc1OCCOc1ccccc1	3266602	RQIUSVDQQUPZPU-WGOQTCKBSA-N	426.419	4.510	50	40	IJGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1Cl	32138931	XKKVWJLPPAIVEF-UUYOSTAYSA-N	440.799	4.713	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408544023	RJTNHMCUQJKYMC-WPBJZHHJSA-N	443.297	4.870	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1	408792518	ANNBQMRDMJYGCE-XSFVSMFZSA-N	430.435	4.737	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1cccs1	409132581	KFEUBUXZRNZUKK-NSHDSACASA-N	438.361	4.765	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc2c(c1)OCO2	408803857	AZNQAKXDTZKMBU-XHNKLMSXSA-N	448.519	4.605	50	40	IJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	409037838	UFYIACSULVXULD-LPYMAVHISA-N	442.269	4.700	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccccc1	409129195	IZWMOTISRQRIDG-MSOLQXFVSA-N	447.343	4.665	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Br)cc1	8856255	LYJIRVHLNCYOHT-MFKUBSTISA-N	436.309	4.855	50	40	IJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	13940741	WCQUMQZMNKJYBI-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nn2-c2cccc(C)c2)cc1	408723914	AHXSTJBFCJABBL-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)c1OCC#N	408985918	NYHZUVXMXZIEME-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1ccc(Br)cc1	409063175	IAYZILMFDKBTIE-NUGSKGIGSA-N	449.667	4.588	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccccc3N)ccc21	6135663	NGIQVMZXIJRIHW-LQKURTRISA-N	427.508	4.531	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C	208203496	DNBYDSGLRNTUBM-FIKYGGOLSA-N	444.373	4.944	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	408711645	CRYUOJHJRAHVOS-STBIYBPSSA-N	436.515	4.653	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)c1ccc(C)cc1	408718589	FRQJGYQIQAKCCA-QQXSKIMKSA-N	432.476	4.873	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1	408893590	HCFVQLWDZPJGSZ-DEDYPNTBSA-N	441.443	4.977	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	409253970	CQJNDGYFSGAWRL-HMMYKYKNSA-N	441.487	4.648	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)C)cc1	2081105	MHOKGVIJPPIBJO-YDZHTSKRSA-N	433.346	4.890	50	40	IJGB	
O=C(CCCl)O/N=C1\C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccc(Cl)cc21	3064354	FBKZGXDYZBMSRU-UQQQWYQISA-N	445.224	4.782	50	40	IJGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	3331048	GHZLETZUHGJASW-UHFFFAOYSA-N	447.379	4.645	50	40	IJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	3334800	WXUOVBFZILDLAE-STBIYBPSSA-N	435.483	4.916	50	40	IJGB	
CCCN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1	20129988	FVBNCSSBLXIBEE-SUUHDTSPSA-N	443.547	4.575	50	40	IJGB	
N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)c1ccccc1Br	20760591	RWFNQAOSYMOYOH-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Br)c2)c1	408744011	JDDDLWCGUSMFLX-ZSOIEALJSA-N	430.689	4.859	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c(C)c1	409328111	ZIHJJJVLIRIMHW-QGZVFWFLSA-N	425.941	4.667	50	40	IJGB	
CCOc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)OC(C)=C3C(=O)OC(C)(C)C)cc2c1	870412	CSEFQIOLYJABGR-IBGZPJMESA-N	441.915	4.710	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1	1107248	YXJGZRDSYLTMJO-HSZRJFAPSA-N	448.494	4.864	50	40	IJGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	8721803	MRCJFALIWMVDDH-SSNBBSKJSA-N	446.301	4.894	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1	8836667	PFPGXBMCWLFUDN-KQWNVCNZSA-N	433.562	4.628	50	40	IJGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1	13370515	FFPDKLIGBDOLAI-WQRHYEAKSA-N	434.908	4.618	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OCC)c2C)cc1	20197718	YPFSXUOWEFCWKZ-WPWMEQJKSA-N	447.535	4.824	50	40	IJGB	
O=C(N/N=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccc2c(c1)OCO2	32123345	CQMIZIRLIGTRRO-DICXZTSXSA-N	438.439	4.552	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1nc(Cl)ncc1F	33352722	YQYYIJSXCBGEJU-OQLLNIDSSA-N	438.846	4.924	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n(-c3ccccc3)n2)cc1[N+](=O)[O-]	59472537	CFXMQMCWJYVRRQ-PCLIKHOPSA-N	425.448	4.520	50	40	IJGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)C2=C1CCCC2=O	409137902	YNCUBSHAEHOVFN-QFIPXVFZSA-N	437.902	4.788	50	40	IJGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1	409187231	NTTCYSPSPIQLHY-CFRMEGHHSA-N	434.521	4.707	50	40	IJGB	
O=C(c1ccc(COc2cc(F)ccc2F)cc1)[C@@H](Br)CBr	575358289	PXDZLOPADBKXGN-ZDUSSCGKSA-N	434.074	4.885	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc(OC)c1O	3255014	MZPFNZAPPPGCNJ-JFLMPSFJSA-N	441.487	4.697	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC(=O)C[C@H]1c1ccc(F)cc1	9089268	GMRUCCDFXOMFTH-FQEVSTJZSA-N	431.492	4.689	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2C)cc1	9459608	RGCIXZBERBXDBP-FSJBWODESA-N	427.961	4.501	50	40	IJGB	
COc1cc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)ccc1O	9693233	DYALKZAPGNBORX-INIZCTEOSA-N	441.940	4.582	50	40	IJGB	
N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@@H]1c1cccc(Br)c1	9693433	SAFLQGIABQUCEK-OAHLLOKOSA-N	444.329	4.808	50	40	IJGB	
O=C(NNC(=S)Nc1ccc(Nc2ccccc2)cc1)c1ccccc1Br	9851519	YENJWWRJQACXCI-UHFFFAOYSA-N	441.354	4.824	50	40	IJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)c1	20760183	XLMLNOUNYNRELF-YDZHTSKRSA-N	441.281	4.650	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	100835014	DTMZYJLCAOBRNF-TVKQRKNISA-N	448.526	4.627	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)c2C)cc1	408757959	FAKJPQGIVLGDRD-QIHUYSMQSA-N	434.547	4.864	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccc(F)cc2)cc1	408817014	ZLRGJBXHHNGUME-CPNJWEJPSA-N	432.451	4.968	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408889238	BRKKWOJCOVVTNZ-UKTHLTGXSA-N	438.783	4.962	50	40	IJGB	
COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3c(OC)ccc4ccccc34)c2c1	871126	BWUKOBODZHJCND-VULFUBBASA-N	445.544	4.956	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c2ccccc2c1O)c1sc2ccccc2c1O	1788496	CJJFYIFSTQTMLV-LSHDLFTRSA-N	441.306	4.992	50	40	IJGB	
Cc1ccc(OCCn2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c3ccccc32)cc1C	6280461	XWTKNSARQCMKCD-DEOSSOPVSA-N	439.519	4.587	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2cc(O)c(Br)cc2Br)c(Cl)c1	10060129	MICMCERGKBZIJC-FBCYGCLPSA-N	446.526	4.643	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(=O)OC(C)C)c2C)cc1	20764455	GRQDMPUYTHTTLW-JVWAILMASA-N	447.535	4.822	50	40	IJGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)o2)cc1	408857312	UGDYPXUFXOKCTA-XPDNTANXSA-N	425.517	4.947	50	40	IJGB	
O=C(/C=C/c1ccccc1)Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1ccc(Cl)cc1	409225220	NLCZZUXMRIYSBL-AJQKUXQMSA-N	449.850	4.631	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	1424103	USOGROOQIRGHAI-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1ccc(Br)cc1	14407539	LRBZMIBQZKJKIF-FSJBWODESA-N	443.297	4.702	50	40	IJGB	
CO[C@H](C(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccccc1	408719839	NALCUSDLAYXFAD-PSZYXBCASA-N	435.911	4.820	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1	408738353	VTRQPYYJJGVAOZ-VULFUBBASA-N	448.320	4.972	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408790215	VEGYRPGTNARLAW-LICLKQGHSA-N	442.899	4.535	50	40	IJGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	409249401	HWAQPMURJJEFNI-QNGOZBTKSA-N	425.488	4.867	50	40	IJGB	
O=C(CCCC[C@H]1CCSS1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1	575615196	BSDCHSUKNWGUMW-MAUKXSAKSA-N	448.075	4.742	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(C(F)(F)F)c1	4090205	KYHCZQZYQFSSSE-OPEKNORGSA-N	430.342	4.565	50	40	IJGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)Nc1ccc(O)cc1	9264364	DIOVXMDIEAOUDF-NBVRZTHBSA-N	436.471	4.531	50	40	IJGB	
C/C(=N\NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1cccc(OC(F)F)c1	22527932	SBEPTPZMVXISCX-RWPZCVJISA-N	449.461	4.793	50	40	IJGB	
O=C1c2ccccc2C(=O)N1S[C@@H]1[C@H]2C=C[C@H](c3c(F)c(F)c(F)c(F)c32)[C@@H]1Cl	36022853	RJAQGBXKEOSJMD-LRIFMWKKSA-N	439.817	4.914	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1	408650373	MLLNPBMWSBFAPY-PXNSSMCTSA-N	448.346	4.733	50	40	IJGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1	1092109	OJZPMSHRFCTOGQ-JVWAILMASA-N	449.470	4.910	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)cc1	2339061	WLHANTTURXUCPZ-LQKURTRISA-N	441.487	4.839	50	40	IJGB	
CC(C)OC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2	2670720	ITWQQRUAYREYIU-RVDMUPIBSA-N	439.493	4.646	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccs1	9446721	VLXIWFMBVLDIMD-FPTDNZKUSA-N	438.512	4.800	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	13176778	HIJXHFSWUPXIBB-QGZVFWFLSA-N	437.348	4.719	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cccc(Cl)c1Cl	58853050	OYTHOMMBSNRJKN-XPVFAOKESA-N	444.318	4.691	50	40	IJGB	
CC(C)(C)OC(=O)N1CC[C@H](CSSC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1	91368962	HMUNCMDMBOMSER-HOTGVXAUSA-N	432.652	4.882	50	40	IJGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	100182370	JGZLWBWLHFZSFN-ABZVSAKDSA-N	446.301	4.894	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1	408604973	JJDNGWBBYCJSEM-IBGZPJMESA-N	449.938	4.724	50	40	IJGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408887333	PSFGRQIFUUGBKJ-MHWRWJLKSA-N	446.288	4.872	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1sc2c(c1C#N)CCCC2	408966879	NXVGMXXNQOFGAX-XODNFHPESA-N	445.523	4.681	50	40	IJGB	
N#Cc1ccccc1COc1ccc(Br)cc1/C=N/NC(=O)c1cccs1	9934859	PGDXRFGNMRKAFE-FSJBWODESA-N	440.322	4.725	50	40	IJGB	
CCCCCN1C(=O)/C(=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c2ccccc21	102978325	MBMUERGUSUVYKU-SOYKGTTHSA-N	428.536	4.765	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c(C)c1	216039611	HLMKJBVEYJYYLX-OYKKKHCWSA-N	448.435	4.605	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1ccccc1	408796132	XBIWVZJGBZYORI-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408812643	XBCHYXKOUJNBKS-NTEUORMPSA-N	430.258	4.692	50	40	IJGB	
COc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1Cl	3092499	MACDPFDGESJDEG-FSJBWODESA-N	431.717	4.957	50	40	IJGB	
CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)c2C1	9362789	UEFRJCRGEMBCRI-CMPFEXHJSA-N	432.572	4.517	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)cc1	26123938	BDEVRJVCAQBMRH-JVWAILMASA-N	436.483	4.966	50	40	IJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)cc1	409007207	VHLLBSOEJDNLQC-WGOQTCKBSA-N	425.960	4.640	50	40	IJGB	
O=C(CCc1c[nH]c2ccccc12)N/N=C/c1ccc(N(CCCl)CCCl)cc1	1694252	MUMUGGRSZGUDNG-CVKSISIWSA-N	431.367	4.535	50	40	IJGB	
C=C(C)CNC(=S)NNC(=O)CCn1c2cc(Cl)ccc2c2ccc(Cl)cc21	8686286	LCPAPDUBKYYFRI-UHFFFAOYSA-N	435.380	4.563	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1OC	8745301	BSKAASZUQBPRMC-AFUMVMLFSA-N	446.532	4.636	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)cc1[N+](=O)[O-]	9203087	SJHRFQWSEXLMFU-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cccnc3)c2C)c1	20243924	OGDNAJWORWRUGY-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(C)C)c(OCC)c2)cc1	20764893	UTRWCMSUELOUOZ-YDZHTSKRSA-N	449.345	4.798	50	40	IJGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)o2)cc1	59333400	LBERFORDWLITHM-JZJYNLBNSA-N	429.545	4.995	50	40	IJGB	
CCN1c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2C(C)=CC1(C)C	208509478	JWOQEMLQOWINGM-ZVHZXABRSA-N	438.553	4.859	50	40	IJGB	
CCC[C@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1	408955384	OOUOYXXQPBADHM-HMFVREHESA-N	438.568	4.863	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	409189587	QWZKSTMKGBQJAO-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1OCC	409303922	OWJUWVHOFPDXTI-MYYYXRDXSA-N	446.931	4.865	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccs1	9292156	LKUCLKQKJJQKJG-HXUWFJFHSA-N	426.501	4.935	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693286	KYHWRAYNEBPBTP-KRWDZBQOSA-N	425.941	4.877	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OCC	409301423	FMAWOBOIVORMLE-UQQQWYQISA-N	426.513	4.602	50	40	IJGB	
C=CCOc1cccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)c1	409321325	FQZJQCQAMWWGSK-IMRQLAEWSA-N	430.504	4.993	50	40	IJGB	
N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)C(=O)Nc1ccc(O)cc1	409375410	KKKIZZZJBYUVIZ-UYRXBGFRSA-N	437.455	4.639	50	40	IJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(OC(=O)c4ccccc4)c2)C(C#N)=C(N)O3)cc1	985645	OJNQEYNNNWIJRG-QFIPXVFZSA-N	448.482	4.823	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)cc1	408677641	TXRPBKBZQHHTRI-YZSQISJMSA-N	444.491	4.538	50	40	IJGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409006155	MYDSFZUEWCJAEX-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)Nc1ccc(O)cc1	409086510	ZVUITVUPDCTYEB-RVDMUPIBSA-N	446.375	4.547	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N[C@@H]1CCCC[C@@H]1C	9187358	JHHZZZISGQTAMO-GBOCSCABSA-N	444.535	4.709	50	40	IJGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3cccc(Cl)c3)o2)cc1	12042988	ZDUBMXMZOHGYCI-FQEVSTJZSA-N	437.908	4.909	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1	20197914	WBBVWUQHPPRHGY-OGLMXYFKSA-N	443.503	4.699	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1	20247093	IGBOCBUIJNNITQ-OTUOEDBFSA-N	429.545	4.533	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1	33715411	QUUATPWXISLVPV-JVWAILMASA-N	427.504	4.779	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1	408788568	DNTGBWQHGQBRFY-MOSHPQCFSA-N	428.444	4.518	50	40	IJGB	
CCCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(CC)CC)cc2)C(C#N)=C(N)O3)cc1	9245777	ZIACYMHZTYRKNW-JOCHJYFZSA-N	443.551	4.930	50	40	IJGB	
CC/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(O)cc1	9380310	LHNHVIJPTMTGNG-FXBPSFAMSA-N	444.607	4.559	50	40	IJGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc3ccccc23)N2C(=N1)SC(C#N)=C2N	408608196	VJBNSUIWLJGTCJ-JOCHJYFZSA-N	437.528	4.863	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	408718582	CHWBFASQRNLFGC-QQXSKIMKSA-N	448.475	4.573	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409004192	BAVSUTBOLUTNRZ-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2C)c1	409262018	HDEMTJVAOMRZJG-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3C)=C2C#N)cc1	409327528	UVVDDXYWUYPRTC-GOSISDBHSA-N	437.590	4.736	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc(C(F)(F)F)c1	2216949	SOQCWBZSZGKYJT-LGJNPRDNSA-N	443.381	4.957	50	40	IJGB	
COc1ccc(-c2nc3cc(NC(=S)NC(=O)CCCCl)ccc3o2)cc1Cl	2229294	DTRXOJDLDYSVOZ-UHFFFAOYSA-N	438.336	4.989	50	40	IJGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1	9360007	HCFKZZYQUJMLAH-OAQYLSRUSA-N	430.508	4.871	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1OC	9409332	DFKLGQRHQKULJL-KRWDZBQOSA-N	441.940	4.577	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc(F)c1	59334816	ATLHSLOAAPZUKP-ZDLGFXPLSA-N	443.316	4.891	50	40	IJGB	
O=C(N/N=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	223154540	QCCKLLHYFGETDR-WGARJPEWSA-N	427.382	4.587	50	40	IJGB	
NNC(=O)CCc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	226342410	IPCLIUVUXZZKDA-UHFFFAOYSA-N	433.733	4.757	50	40	IJGB	
O=C(N/N=C\c1ccccc1I)C(c1ccccc1)c1ccccc1	409391233	IDPGQUYUROAMPB-HAHDFKILSA-N	440.284	4.573	50	40	IJGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	16606251	JGZLWBWLHFZSFN-SSNBBSKJSA-N	446.301	4.894	50	40	IJGB	
Cc1cc(C(=O)N/N=C2/C(=O)N(Cc3c(Cl)cccc3Cl)c3ccccc32)c(C)o1	102455869	ZVUREKHNTDHPAR-LKUDQCMESA-N	442.302	4.884	50	40	IJGB	
CCCC1=C(C(=O)OCC)[C@H](c2c(OC)ccc3ccccc23)N2C(=N1)SC(C#N)=C2N	408606782	PVLXBJSUXCAAJM-NRFANRHFSA-N	448.548	4.577	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	408798096	UUDRHDHHHRGWQR-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc(Cl)c1OC	408892305	ALHABKCNFHARQL-WUXMJOGZSA-N	436.251	4.855	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(O)cc1	409044692	WSTZXDFMVBAKDU-SFQUDFHCSA-N	447.878	4.609	50	40	IJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1OC	1803364	ONYZWKXULUQQSY-NTCAYCPXSA-N	431.473	4.910	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	2312354	QOSBQIQRGUTMPP-FQEVSTJZSA-N	439.924	4.734	50	40	IJGB	
Cc1ccc(C(C)C)c(OCCOc2ccc(Br)cc2/C=C(/C#N)C(N)=O)c1	23402381	ISSIPUOJNPYGHJ-BOPFTXTBSA-N	443.341	4.731	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc2c(c1)OCO2	408803852	AZNQAKXDTZKMBU-MDCLHBFVSA-N	448.519	4.605	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC	408872164	AFRPYWZAIRGJMD-CVKSISIWSA-N	438.911	4.629	50	40	IJGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2c1	408955877	UZWASGQZKSBQAZ-UYRXBGFRSA-N	425.488	4.604	50	40	IJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c1	409005170	CXJBJZDSVPUWGA-WOJGMQOQSA-N	430.416	4.506	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)c1C	409043910	AAUXTRRPPSOFMV-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
CCOc1ccc(/C(C)=N/NC(=O)COc2ccc3ccccc3c2Br)cc1	16689348	SSAVRWNONZTHEC-BUVRLJJBSA-N	441.325	4.920	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c(C)c1	30843635	CQCRROLRKHVSLL-WGARJPEWSA-N	436.895	4.705	50	40	IJGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc4c(c3)OCO4)cc2)cc1	35339747	HEFXTQZWTSOKQQ-ONUIUJJFSA-N	432.476	4.547	50	40	IJGB	
O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	409195927	SRZJBFZVMYTUNW-LPYMAVHISA-N	429.339	4.782	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	1096883	GMHJJWLJOYVINV-SFQUDFHCSA-N	437.293	4.941	50	40	IJGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC(C)C)c(C)c1	1252789	BXWJETBMMHVCJX-RCCKNPSSSA-N	428.536	4.926	50	40	IJGB	
Cn1ccnc1COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	40139611	HTVFAUYCCXMLCK-XNTDXEJSSA-N	427.291	4.852	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1	408676395	IBJHNESCADZRTG-OVVQPSECSA-N	429.520	4.638	50	40	IJGB	
COc1ccc(C(=O)N/N=C(\COc2ccccc2)c2ccc(Br)cc2)cc1	408734036	FDKMILRJUCZKTI-DARPEHSRSA-N	439.309	4.671	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2C)ccc1OCc1cccc(C(=O)O)c1	408820271	WMAZFOORMASMFL-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1cc(-c2cccc(Cl)c2)on1	30038933	WTOGLQKIDCJYKY-UHFFFAOYSA-N	426.738	4.679	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	409212098	OWRNEGJFJAIQPI-SRZZPIQSSA-N	439.762	4.910	50	40	IJGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2)c1	409251583	ALDZFVULPFUUMH-KGENOOAVSA-N	425.488	4.867	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)c1	409269921	BDKVUGDVROLEBZ-OEAKJJBVSA-N	439.515	4.544	50	40	IJGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)c1	409323787	QMVQLFWAFHBVSP-KRWDZBQOSA-N	425.941	4.667	50	40	IJGB	
CCOC(=O)c1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@H]3c2ccccc2)cc1	2255764	ZAYFZQOCNPVBDL-HQYUJTHISA-N	439.471	4.538	50	40	IJGB	
C/C(=N\NC(=O)c1cccc(Br)c1)c1cccc(NC(=O)c2cccs2)c1	19635378	AFBYPIUJHPDVJS-YDZHTSKRSA-N	442.338	4.917	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(=O)OC(C)C)cc3)c2C)cc1	20764451	YZHRVTYCLSASND-JVWAILMASA-N	447.535	4.822	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nn2-c2ccccc2C)cc1	408727892	YSDWBDSFKUDPIT-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccc(F)cc1	408911830	KRLFKAOSFMJWTN-LGJNPRDNSA-N	442.874	4.596	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)cc2c1	409188355	YKMFWMODRHYUKA-CFRMEGHHSA-N	449.419	4.772	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	409252982	YIPNLJLHPFRZTO-ATVHPVEESA-N	440.341	4.994	50	40	IJGB	
N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1	1247435	UVLSWBCOMDLNRY-FOWTUZBSSA-N	439.452	4.999	50	40	IJGB	
CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)N/N=C/c3cccs3)cc12	1253513	RLAQVHBYWZGMQK-AFUMVMLFSA-N	448.500	4.867	50	40	IJGB	
O=C(N/N=C/c1ccc(O)cc1O)[C@H]1CC1(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2321769	WBZCAJDIVQVIPZ-VEDIRDOVSA-N	441.314	4.861	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1)c1ccc(F)cc1	12798829	CZRAEMMJAVSIDG-BVTUPMQUSA-N	439.288	4.763	50	40	IJGB	
O=C(/C=C\c1ccco1)Oc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1	13371703	MDFRDBCJVGIHGA-IKVLKKMYSA-N	426.428	4.521	50	40	IJGB	
Cn1ccnc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	40139621	JETIMQJVSCPBNV-XNTDXEJSSA-N	427.291	4.852	50	40	IJGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	10386945	RSWZUGJSHHDJLB-UHFFFAOYSA-N	433.686	4.533	50	40	IJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408888772	AKCGYRJHYMWKOT-LTGZKZEYSA-N	446.528	4.871	50	40	IJGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1	409155599	QIVRIALFYNKMCV-RGKQAONTSA-N	425.463	4.635	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c(O)c1	409390339	CLPVFLNFCNFRQZ-BHGWPJFGSA-N	432.307	4.879	50	40	IJGB	
CCc1ccc([C@H](NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)s1	2273214	LKYXHFTVHRLHPC-RUZDIDTESA-N	442.584	4.957	50	40	IJGB	
O=C(N/N=C/C=C/c1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3208545	WGKLJUJAFSGPNM-ZYRLFCFXSA-N	439.924	4.570	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1	9110961	HQVPFSRSALRLGA-WPWMEQJKSA-N	440.503	4.818	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c(OC)c1	9693350	JBWJGNFYRMOIPN-FQEVSTJZSA-N	435.549	4.540	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)cc1	20197722	KADMSCCMHYZJAJ-WPWMEQJKSA-N	447.535	4.824	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccccc1	34846725	XCKWCSAJMOTJPL-UYRXBGFRSA-N	429.432	4.685	50	40	IJGB	
CN1C(=O)/C(=N\NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c2ccccc21	102979789	ZUYNLPTULJKVQC-NFFVHWSESA-N	440.890	4.666	50	40	IJGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c([N+](=O)[O-])c1	408895455	KPNDCLIUJLKYBI-XNTDXEJSSA-N	432.392	4.926	50	40	IJGB	
N#C/C(=C\Nc1ccc(O)c(C(=O)O)c1)c1nc(-c2cccc(Br)c2)cs1	2232452	WZPUDZNGWDNNIF-FMIVXFBMSA-N	442.294	4.953	50	40	IJGB	
N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2ccc(Br)cc2)cs1	2307646	ZKUWXUCOYBFLIX-JLHYYAGUSA-N	425.311	4.648	50	40	IJGB	
CC(NC(=O)OCP(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F	2319176	AVRTUBSTAREJNQ-UHFFFAOYSA-N	439.292	4.568	50	40	IJGB	
Cc1ccsc1/C=N/NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	8721537	APOOBICBUCUBRB-HPTBBYBNSA-N	435.574	4.595	50	40	IJGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCCCC3)nc12	13648267	RHWOKQHQEQZJBH-SAPNQHFASA-N	427.533	4.667	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	229974348	HFXTYQITEZRVMW-DBTZYBQZSA-N	446.912	4.548	50	40	IJGB	
Cc1cc(/C=N\NC(=O)COc2cccc3ccccc23)c(C)n1-c1cccc([N+](=O)[O-])c1	408779170	BENWOTZFLORWDW-YSMPRRRNSA-N	442.475	4.685	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc2c(c1)OCO2	408812770	XGOWJDILSUCRIC-VCHYOVAHSA-N	446.434	4.688	50	40	IJGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br	409245714	YAVVPEANJDIYFU-YBEGLDIGSA-N	433.733	4.767	50	40	IJGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1	409250831	MZPCBBJUWWCQFR-PDGQHHTCSA-N	431.879	4.903	50	40	IJGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1	12561577	ITUIFSCNMZQWSF-RCCKNPSSSA-N	437.565	4.530	50	40	IJGB	
Cc1noc(C)c1CSc1ccccc1C(=O)NNC(=O)c1cc2c(s1)CCCC2	12729300	NGJDPWVHOWWLKT-UHFFFAOYSA-N	441.578	4.599	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)nc1	33761993	MRDKHTMZRZQPKV-WYMPLXKRSA-N	433.493	4.684	50	40	IJGB	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(C(F)(F)F)c1	35516818	ALNFGVWLZGIVGX-KAMYIIQDSA-N	426.354	4.950	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)nnc1-c1ccc(C)cc1	2339066	GQYCYQNNERYNPX-FOKLQQMPSA-N	448.379	4.823	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1C	3376314	OUQKIKLRZLYMEQ-GZTJUZNOSA-N	449.429	4.502	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1	8861149	HSSHCCMNVXHIKS-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1cccs1	9354585	DBNBREADCJEGBW-UHFFFAOYSA-N	425.311	4.878	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1	59104741	AMMXPIXLKRZQIW-OVVQPSECSA-N	425.536	4.715	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	408745207	QDWNTRKMQKBHMG-YBEGLDIGSA-N	427.298	4.877	50	40	IJGB	
COc1ccccc1N1CCN(Cc2ccc(C(=O)NN=C3CCCCCCC3)cc2)CC1	408829826	QFRKTCYGDIPPMI-UHFFFAOYSA-N	448.611	4.848	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1	408933787	AEZNNOATCIMHGS-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409095012	AUHATRJVIWLQHS-QRVIBDJDSA-N	441.896	4.929	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1	409134038	ROBQKMDUKCCHAN-VXKWHMMOSA-N	428.513	4.511	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)n1	409239449	NJSZGGHVWPSXMY-VULFUBBASA-N	443.576	4.897	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Cl)c1	409263733	NWXOEWQJMAOOMO-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCCn1c(C)c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118672	QNPASIWWOKOQKU-LPYMAVHISA-N	445.304	4.728	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)cc1	39381498	UXBUEXSXWYWMHA-WPWMEQJKSA-N	426.472	4.969	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(OCC)c2)cc1	408793996	HNHGDYPUCHPBHR-LFIBNONCSA-N	425.872	4.585	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2C)cc1	409260562	SCEXBOVASDYWPS-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)c1C	409264738	RSCXYMLQFWUUHC-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
O=C(COc1cccc2ccccc12)N/N=C/c1cccn1-c1ccc(Br)cc1	1095251	RYJXOLMYHAFGAE-MFKUBSTISA-N	448.320	4.922	50	40	IJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1	3588551	AFZKYGFTCXMNLA-HZHRSRAPSA-N	447.512	4.699	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C	9187355	JHHZZZISGQTAMO-UPEXOXKGSA-N	444.535	4.709	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12	9261949	MOTQOLMWSDIELZ-JFLMPSFJSA-N	427.504	4.536	50	40	IJGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c1	13174276	FXTZSDBKDVXWES-QFIPXVFZSA-N	433.533	4.697	50	40	IJGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1c(Cl)cccc1Cl	16102501	OWKPTLYBEFHDGL-WNFQYIGGSA-N	430.129	4.902	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)c1	16349543	SROZHQBJPMWGSR-SDQBBNPISA-N	436.103	4.771	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	16386312	CLORGKNJMUHRAZ-ZDLGFXPLSA-N	448.862	4.868	50	40	IJGB	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc(-c2ccccn2)nc2ccccc12	57400934	XYXGVMJTOAFPGW-UHFFFAOYSA-N	435.531	4.679	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408735285	POHZGJPNMOVNQJ-GZTJUZNOSA-N	442.899	4.535	50	40	IJGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2)c1	408819543	ZHHYQCBLFIPDIY-CJLVFECKSA-N	442.515	4.549	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408875589	KLDFRMZYTUNZFC-LZYBPNLTSA-N	446.288	4.852	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)o1	409391722	KXZGQRVOLSEQQR-VULFUBBASA-N	444.447	4.579	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1CSc1nc2ccccc2s1	8830086	NUZFYMITKSJCFH-WYMPLXKRSA-N	434.546	4.756	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1OCc1ccccc1	408904656	MSZLEMZKFALOSS-QFEZKATASA-N	445.431	4.693	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)cc1C	408991648	OSGKMDXEUMBYMM-GHRIWEEISA-N	442.504	4.569	50	40	IJGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SCCS1	409217307	BGPPWBCZKWPBTF-VXLYETTFSA-N	425.919	4.545	50	40	IJGB	
Cc1ccc2cc(/C=N/NC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c(Cl)nc2c1	9154326	BMGCWBJIEZIAOR-TXNBCWFRSA-N	443.121	4.898	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)ccc1OCc1cccc(C(=O)O)c1	59249033	QPPYBYPLAGKMGW-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1OCc1ccccc1	408750015	WFCRDAJGCZHWIL-OVVQPSECSA-N	425.488	4.829	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccc(Br)cc1	409001276	HLTZGPOCMSVLKN-ZMOGYAJESA-N	440.272	4.604	50	40	IJGB	
C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1cccc([N+](=O)[O-])c1	12362365	KBSGDUVPUWHGSK-LPYMAVHISA-N	426.270	4.593	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	33735194	BMOVDMOISGHGEX-GDNBJRDFSA-N	445.313	4.888	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Br)c1OC	59201063	YIXXVJDJCHLILN-MHWRWJLKSA-N	429.314	4.964	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccccc1	59534593	QJMXVHKNBOZOCM-HMMYKYKNSA-N	448.544	4.828	50	40	IJGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	207156751	NMEHSHXJXOJACN-AYCSXLNKSA-N	429.314	4.641	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	408792481	AGSBFEHCPXNYCU-CAPFRKAQSA-N	441.487	4.648	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccccc1Cl	408899570	QMRFDVJNZXFCIH-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccc(C)cc1	409007437	OUMHAZLSTNHHRB-QQXSKIMKSA-N	446.507	4.567	50	40	IJGB	
Cc1[nH]nc2c1[C@H](c1cc(Cl)c(OCc3cccc(F)c3)c(Cl)c1)C(C#N)=C(N)O2	409139102	MMNXUTPGWQFLFV-GOSISDBHSA-N	445.281	4.961	50	40	IJGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1ccc(O)cc1	409378336	OCQMZSIDPCEVSO-AQTBWJFISA-N	438.443	4.849	50	40	IJGB	
COC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1	1791190	WTRFPSQAKJUFCF-GXSAIBHDSA-N	439.467	4.964	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1ccc(O)cc1	9292508	UGSABVWZIAMNBM-JOCHJYFZSA-N	436.471	4.579	50	40	IJGB	
Cc1sc2ncn(CC(=O)N/N=C\c3ccc(C(C)C)cc3)c(=O)c2c1-c1ccccc1	31783354	HLSTWGWITVZSBR-WKIKZPBSSA-N	444.560	4.707	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)c(OC)c1	34718628	QYYITDJJDDKRKF-DHRITJCHSA-N	441.915	4.537	50	40	IJGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc(C2SCCS2)cc1	408570810	YWQKPJCGZBVLAK-UUYOSTAYSA-N	436.986	4.746	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)ccc1O	954205	MOHXQNZZYOTVAO-OVCLIPMQSA-N	425.897	4.647	50	40	IJGB	
COc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccco3)c3ccccc3n2)c(OC)c1	2730504	BOARPFLFGYMSOK-ZMSVTBESSA-N	427.460	4.941	50	40	IJGB	
CC[C@@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccccc1Br	3167636	VGFWYAVBQKBQTQ-MBTVCVBTSA-N	440.135	4.519	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(C)c2)c1C	8812758	COTZHYLNYJAZBI-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)o1	12363079	YDYSWSZJJSSOED-BRJLIKDPSA-N	431.370	4.875	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)NCc1ccccc1	13942428	YRILESQJQNLDPU-CIAFOILYSA-N	446.890	4.841	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC	23162813	QCYSOZFHEOBRFY-WOJGMQOQSA-N	441.325	4.636	50	40	IJGB	
O=C(NNC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc(Cl)cc1	29548520	QQUJIQVGXSUGHF-UHFFFAOYSA-N	437.908	4.848	50	40	IJGB	
COc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(C2SCCS2)cc1	408569266	MPRYUZUBZMAFFA-OYKKKHCWSA-N	438.574	4.856	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)nn2-c2ccc(C)cc2)cc1	408724154	GNNRMRWLRLAWKO-JFLMPSFJSA-N	438.487	4.649	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1cccc(C)c1	408785895	JKANGLPUJLOCMF-NVMNQCDNSA-N	443.341	4.777	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCc1ccccc1C#N	408795449	LUKVXVNBTREFKD-FYJGNVAPSA-N	439.471	4.787	50	40	IJGB	
CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC	2186221	MGEASVJOLQUXKY-HSZRJFAPSA-N	430.508	4.586	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1cc(COc3ccc(F)cc3Cl)c(C)s1)C(C#N)=C(N)O2	6300187	ATRVBSPDYMHUDN-GOSISDBHSA-N	430.892	4.678	50	40	IJGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C\c2ccc(Br)o2)cc1	11990260	MKLDAFPMTGCMDM-OYKKKHCWSA-N	441.325	4.897	50	40	IJGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1C	408592650	ZXNLVSWUKVEPFB-JVWAILMASA-N	431.536	4.580	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1cccc(Br)c1	408753567	JMHQQFZMUQENRP-ZMOGYAJESA-N	449.308	4.668	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c([N+](=O)[O-])c1	408883262	UPLVZHLVVSSJER-RVDMUPIBSA-N	432.392	4.926	50	40	IJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	409043391	FDAVCLNIQBHRJJ-LPYMAVHISA-N	442.269	4.700	50	40	IJGB	
Cc1c(/C=N\NC(=O)Cc2ccc(F)cc2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409230376	CLGQIWDNLLDTSA-DICXZTSXSA-N	444.466	4.738	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1cccnc1	409371588	IIAHGZCAMGKWKA-BHGWPJFGSA-N	444.716	4.840	50	40	IJGB	
N#C/C(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1	872810	JVEGPGLMYWFXSW-GJPUVDBCSA-N	449.938	4.576	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc2ccccc12	3167209	STECXZRKIJDKSR-JMKVTYIUSA-N	427.298	4.529	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1	9057443	SKLNWLPZKMIWJH-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccccc1Cl	16688807	ADZZWFCACPRRRK-WGOQTCKBSA-N	436.895	4.651	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	28216362	QBARCWCRJAZQJA-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1	32115692	FCKZIZWFROPPLV-MSXFZWOLSA-N	428.602	4.636	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)cc1	33580435	KJADTHJSJQWYBO-DHRITJCHSA-N	435.549	4.805	50	40	IJGB	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCO2)C(=O)Nc1cc(Cl)ccc1Cl	96310780	NBYUSLMSBRLWLF-LFYBBSHMSA-N	427.247	4.658	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408772122	BHXHBPLHLGCTTJ-PDGQHHTCSA-N	447.422	4.867	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1Cl	408791686	AXAWKEWNZYTTOK-OVCLIPMQSA-N	433.291	4.789	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408865707	DOFWTZBCZPIZHH-AFUMVMLFSA-N	436.855	4.655	50	40	IJGB	
O=C(NNc1ncc(C(F)(F)F)cc1Cl)NC(=O)c1c(Cl)cccc1Cl	1418761	NVRXWFFBCIWJKK-UHFFFAOYSA-N	427.597	4.527	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccco2)nnc1-c1ccc(Cl)cc1	2696237	XIOCCMLHDHXSSQ-CVNWQJJWSA-N	429.933	4.509	50	40	IJGB	
CN1/C(=C(\C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)Sc2ccccc21	13076292	CPTDDZVVIFTLMQ-FXBPSFAMSA-N	438.936	4.851	50	40	IJGB	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1	13137675	WETFMKJRHFVFLO-WOJGMQOQSA-N	425.319	4.770	50	40	IJGB	
CC(C)(C)C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1	16322720	LWCBFLRUNKYSEM-SSDVNMTOSA-N	437.721	4.818	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(OCC)c1O	59303133	RNAVCFOEYGJULE-WJDWOHSUSA-N	427.298	4.828	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1	108207565	OMUFRBQRXINUIK-LGJNPRDNSA-N	439.874	4.780	50	40	IJGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1C	408965433	HJDQCRFWBGLITM-ZVHZXABRSA-N	436.537	4.807	50	40	IJGB	
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cccs2)cc1	3168687	MCZBPMRKIHNGQM-QPFIVIFOSA-N	446.576	4.516	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	13602920	YDGDLFVMLKMRBI-HCGXMYGOSA-N	438.620	4.754	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(Cl)cc2Cl)nc2c(C)cccn2c1=O	13810933	DZASQUBWQQBHIF-UKTHLTGXSA-N	444.274	4.572	50	40	IJGB	
N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152114	YBYIXHFILWBHOR-NTCAYCPXSA-N	443.488	4.743	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)c1	408764179	WIRJKAQURFKPGP-NBVRZTHBSA-N	427.416	4.668	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1	408870522	SUXPJSXFLGVJSN-OVCLIPMQSA-N	432.261	4.544	50	40	IJGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1	408892056	AIXDQJOGSUZMTA-GHRIWEEISA-N	438.892	4.653	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1OCc1ccc(C(=O)O)cc1	409187497	REGBFMYEGWEDOD-UYRXBGFRSA-N	425.444	4.913	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)cc1	409240521	QFBOXQDOLZRYCF-FMCGGJTJSA-N	443.297	4.555	50	40	IJGB	
N#CC1=CCN([C@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CC1	95452643	XLJMZHNDYZKBKT-NRFANRHFSA-N	445.504	4.554	50	40	IJGB	
CC(C)Oc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OC(C)C)c1	96836113	TYYVVTKFVWPPJE-VEILYXNESA-N	446.547	4.647	50	40	IJGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@@H]3C#N)o2)cc1	408857306	UGDYPXUFXOKCTA-IAHWRSHUSA-N	425.517	4.947	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)ccc1OCc1ccccc1	867632	YRPOVSVMWNOLLT-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
CC(=O)c1cccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c1	1801219	SMUSVJZGKZOZDS-HOTGVXAUSA-N	425.120	4.727	50	40	IJGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1	2749382	OSFFUFNKKURLIA-NYYWCZLTSA-N	439.187	4.742	50	40	IJGB	
O=C(CNc1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	9562927	SCBPNZVBETVYIC-LQKURTRISA-N	435.487	4.848	50	40	IJGB	
O=C(N/N=C\c1ccc(Oc2nc(Cl)ncc2F)cc1)c1cccc(Br)c1	33349890	KUSZTEOAPUVHOT-AQHIEDMUSA-N	449.667	4.588	50	40	IJGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C/C(Br)=C/c1ccccc1	33412853	VPYUVBGEGRIDBM-LCMWWGBVSA-N	428.113	4.910	50	40	IJGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1	111506883	ZFOFEJPCSCPPRQ-AQTBWJFISA-N	439.471	4.700	50	40	IJGB	
COc1cc(F)c(Oc2ccccc2)cc1/C=N/NC(=O)c1ccc(N2CCCC2)cc1	408678532	ZXPSPQDJZFQWKW-WPWMEQJKSA-N	433.483	4.991	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1C	408798787	XFYZOAKJAHIVBT-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1	409048230	RUHKICRLDYAKPP-CPNJWEJPSA-N	429.432	4.685	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl	409123638	HFOJAUHHPJIEHO-QHCPKHFHSA-N	449.938	4.658	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)cc1	409188228	XPINRQJXWUEOTJ-LQKURTRISA-N	442.519	4.570	50	40	IJGB	
COc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	409224321	KJGOPRJPHYRYIC-MXAYSNPKSA-N	443.286	4.985	50	40	IJGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)o2)c1	409246265	AAFNPUOEMCBZJU-QNGOZBTKSA-N	428.488	4.698	50	40	IJGB	
Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccc(Br)cc3)c2c1	6281452	ZXLYTECAKADYNX-SSDVNMTOSA-N	428.355	4.857	50	40	IJGB	
c1ccc(P(c2ccccc2)c2cccc(P(c3ccccc3)c3ccccc3)n2)cc1	79553952	UNCDYUGALDQNLL-UHFFFAOYSA-N	447.458	4.598	50	40	IJGB	
C[C@@]12CC[C@H](C/C1=N\NC(=O)c1ccc(Br)cc1)[C@@]2(C)CBr	100920931	XKZKNAXMUWJWPJ-IDTKKTGFSA-N	428.168	4.756	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1C	408605508	KMMZUBNINOKBMU-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
CCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1	408731670	ORWHUYQVHOVDEY-MFKUBSTISA-N	445.548	4.666	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)cc1	408767332	ZFSSHBQHTKAZDN-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)o1)c1ccc(Cl)cc1	408995999	GJMFYRFSJKMUOA-SSDVNMTOSA-N	446.688	4.712	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cc(Br)ccc2O)c1C	409065237	FGPOBTHPSAVSKD-FMCGGJTJSA-N	426.314	4.635	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1C(=O)O	409199368	CHCWYPZWFXYUKK-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	409256981	NEAVCAANFFVNOX-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OC)c2)cc1OCC	409333803	JMUXKXQKTPEYLL-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
CCc1sc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Br	2728445	RIMKREZIOIMSDG-FBCYGCLPSA-N	436.158	4.909	50	40	IJGB	
Cc1cccc(-n2c(C)cc(C(=O)NNC(=O)c3cc(C)n(-c4ccccc4)c3C)c2C)c1	3300531	MJDCLYQNALTNRQ-UHFFFAOYSA-N	440.547	4.885	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)/C(=C\c1cccs1)NC(=O)c1ccccc1	4150606	KPQGMHHFZPEXFI-ZDETVGHWSA-N	444.343	4.976	50	40	IJGB	
C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1cccc(O)c1	12463287	CPQZULMZKLHQOY-ONUIUJJFSA-N	426.476	4.515	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1C#N	33337516	HUHGAVHBGNVLPN-HMAPJEAMSA-N	429.520	4.892	50	40	IJGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)c1	408803126	LMAOAOHPODZKAI-QGOAFFKASA-N	432.451	4.968	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(Cl)cc1	408964235	CJEDNXIZWGYVEX-UVHMKAGCSA-N	437.858	4.702	50	40	IJGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@]12C(=O)Nc1ccccc12	12376676	ATBGJVWDXGCOMU-HHHXNRCGSA-N	432.483	4.598	50	40	IJGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)OCc2csc(COc3ccc(F)cc3)n2)cc1	12528579	YAEHUXBRCKMTAG-GZTJUZNOSA-N	437.496	4.578	50	40	IJGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c1Nc1ccccc1C	408709340	ZVCZBSLGULZHRP-JVWAILMASA-N	444.535	4.959	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc2c(c1)OCO2	408778054	PMPNUJJNMNDUGE-NHDPSOOVSA-N	448.519	4.553	50	40	IJGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1	408813089	DYYNZHZMSICRJI-KQWNVCNZSA-N	441.531	4.891	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(C)c1	409260427	QDNXHVMFIGRXTK-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2cccc3ncccc23)c([N+](=O)[O-])c1)c1cccc(O)c1	713248	DMJOXJJZJREPCQ-AFUMVMLFSA-N	444.472	4.764	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)cc1	20764012	SUXUQPICYOFDRL-ZMOGYAJESA-N	426.856	4.549	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	223505794	MFRGIQTWVPUUQJ-DICXZTSXSA-N	435.568	4.943	50	40	IJGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cc2)c1	408808508	JEHPSFQIYTZAFS-RMOBQLPBSA-N	434.536	4.885	50	40	IJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OC	408824693	JBFHXVCWDQNBMZ-OQLLNIDSSA-N	430.888	4.700	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)cc1	409224824	MXGWGMVEJZZXEG-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OCC	408799895	JDDMQZOZMMZXHP-GZTJUZNOSA-N	442.899	4.860	50	40	IJGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)CSc1nc2ccccc2s1	946361	XNLUFWATXBTYPT-SSDVNMTOSA-N	441.969	4.686	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccccc2F)cc1	959075	JTGSCZUXPYTUSD-LGJNPRDNSA-N	439.874	4.569	50	40	IJGB	
COc1cccc(C2(c3cccc(OC)c3)C[C@@H]2C(=O)N/N=C/c2ccc(Cl)cc2)c1	2314701	LHPPAHFEAGMIOF-PVPASAESSA-N	434.923	4.814	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)c(C#N)c1C	408546700	NCXUFHRKTNQYKB-LDADJPATSA-N	435.549	4.670	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(F)cc1	408948216	FALFKSOPBONNLP-STZFKDTASA-N	426.495	4.980	50	40	IJGB	
O=C(N[C@H](Cc1ccccc1)C(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1	408999842	SJRFTMMCGWVVRR-AREMUKBSSA-N	435.527	4.897	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)C(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	2303881	OBSHTOITKBTINO-CVKSISIWSA-N	443.330	4.778	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	58912671	VPEVDMPEZLNKTC-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1	59515272	FHVRIZNSFPHXFY-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1ccccc1Cl	59921451	OKBTXDXFBVHOBP-JFLMPSFJSA-N	437.927	4.880	50	40	IJGB	
O=C1c2ccccc2C(=O)N1S[C@@H]1[C@@H](Cl)[C@@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12	100052448	RJAQGBXKEOSJMD-FLGGFAOOSA-N	439.817	4.914	50	40	IJGB	
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)NNC(=O)c1cccc2ccccc12	409034409	NTILWNOFODSDFW-ISLYRVAYSA-N	436.467	4.533	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OC	409318897	YGLHKBGTNHPSLP-ZMFRSBBQSA-N	442.874	4.839	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)c(OC)c(Cl)c1	2801023	IUOTXNHTDQMYRN-DNTJNYDQSA-N	432.101	4.537	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1OCc1ccccc1	8842917	AYRIGRGUVVFSEL-RWPZCVJISA-N	442.437	4.986	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)cc1	16742621	LXGQOIRUMYLSAZ-CAPFRKAQSA-N	436.471	4.724	50	40	IJGB	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccc(Br)cc2)cc1	17099412	DRAPYGDIGRDRPI-GZQZNAIASA-N	435.325	4.932	50	40	IJGB	
CCCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	17143666	PUTIENKBYLSUKN-NRFANRHFSA-N	432.476	4.589	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc12	408590889	RDIVBFMYARXIBJ-JFLMPSFJSA-N	425.488	4.669	50	40	IJGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)COc2cccc3cccnc23)c1C	408964193	BUMMOWXYLCIPFA-LQKURTRISA-N	426.520	4.734	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)CSc2ccc(OC)cc2)cc1OC	409375486	LMMMRCGGCYJDIW-GKGMIHAQSA-N	436.961	4.777	50	40	IJGB	
Cc1ccc2c(c1)/C(=N/OC(=O)C(Cl)Cl)C(=O)N2Cc1cccc(C(F)(F)F)c1	1397275	HXWMDOHIDHFTAG-MYYYXRDXSA-N	445.224	4.612	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	3083606	KHFBLUKQNFJPGT-SSDVNMTOSA-N	433.689	4.892	50	40	IJGB	
CCc1n[nH]c(SCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)n1	14709546	IFQZOLHYACMRGU-WYMPLXKRSA-N	433.459	4.545	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c1	107640272	COCIDGPNYBAQDK-RWPZCVJISA-N	442.494	4.859	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccc(Br)cc2)c(C#N)c1C	408546715	NTHWIHJCYGKKEZ-RIYZIHGNSA-N	443.322	4.586	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1	409050550	WWLJRASVYJLJFP-MOSHPQCFSA-N	443.459	4.994	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc([C@@H](C)CC)cc1	10059251	DTIIORDSILVFJJ-LUILSVGHSA-N	433.346	4.890	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	39884702	WFTYBYQKJTYRMM-XYOKQWHBSA-N	438.783	4.962	50	40	IJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2O)cc1	96860830	LZUXFQLWNFBWGJ-QQXSKIMKSA-N	440.459	4.830	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409155211	QIYKHFZRDIIKBS-ZVHZXABRSA-N	434.323	4.817	50	40	IJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1OCc1ccc(C(=O)O)cc1	409188358	YLJJHRMWQMCDPX-UYRXBGFRSA-N	446.434	4.657	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1	1101507	RSWAKZNWIQSMDS-LSFURLLWSA-N	435.336	4.903	50	40	IJGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1ccc(COc2ccc([N+](=O)[O-])cc2)cc1	3268889	WZHKZLPIOFEQFB-DHRITJCHSA-N	441.390	4.539	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	58912911	RUACBWTXHHASKL-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
C[C@@H](Br)[C@H](OC(=O)c1ccccc1)c1cc2c(cc1Br)OCO2	1628450	LLZUKDFNUHDNRA-HWPZZCPQSA-N	442.103	4.859	50	40	IJGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	6190701	OWGCCIPYXOBCPU-MRAZWZEMSA-N	447.966	4.763	50	40	IJGB	
COc1ccc(Br)cc1/C=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	13305511	KOYCCGCJAXJLFM-YQUKCCFRSA-N	449.348	4.914	50	40	IJGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)o3)[nH]c2cc1C	33724899	AQPVEASPMCGULP-LICLKQGHSA-N	427.416	4.900	50	40	IJGB	
COc1cccc([C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1	169840214	QNLRECGCWBMDFX-IRXDYDNUSA-N	425.598	4.736	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	409250450	LZJCKCXAHGZJEP-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(C)ccc3C)=C2C#N)cc1	409321792	JPSXUDUZFABLPN-SFHVURJKSA-N	437.590	4.736	50	40	IJGB	
N#C/C(=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1	872783	OJBKIWIGUUNOBS-NBVRZTHBSA-N	429.451	4.676	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OC)c1	1779135	MQXSMOWFBUBTBF-XSFVSMFZSA-N	437.492	4.547	50	40	IJGB	
CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	8386395	LHTDVZYQGDZNQS-UMYCGDDESA-N	429.520	4.774	50	40	IJGB	
Cc1cc(C)c2c(n1)sc1c3c(c(=O)[nH]c12)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O3	9361116	GMUJKZQGVDQQSM-HNNXBMFYSA-N	434.908	4.626	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccccc1Br	20760209	RBAFMYOCQSCDOS-UFFVCSGVSA-N	432.205	4.520	50	40	IJGB	
O=C(COc1ccc2ccccc2c1)N/N=C\c1ccc(OC(=O)/C=C/c2ccco2)cc1	30802469	OARMTRCPUDWCOS-LDXKMCRWSA-N	440.455	4.581	50	40	IJGB	
O=C1OC[C@H]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)/C1=C/c1ccccc1	104381712	RPJPEHMEPRADSV-QJRULXJOSA-N	436.491	4.722	50	40	IJGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)Cc3ccccc3)c2C)sc(C)c1C	409003365	ZPSIBRRNBXDVNN-QFEZKATASA-N	437.565	4.642	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@@H](O)c1ccccc1	409344200	JJXIOOBRBPDGFE-LHXREVONSA-N	429.303	4.756	50	40	IJGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C(=O)OC)ccc3C(=O)OC)n2)cc1	1244831	HGQVLVGOHVLVBP-QGOAFFKASA-N	447.516	4.922	50	40	IJGB	
CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	3193652	IFMJTGKVOOFZRQ-JVWAILMASA-N	440.503	4.580	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@@H]1c1ccccc1F	9353503	PEKATDIFNDZUEC-GOSISDBHSA-N	431.492	4.689	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccc(F)cc1	9693129	HCSIOYKFTRHQJN-KRWDZBQOSA-N	444.329	4.808	50	40	IJGB	
C[C@@H](/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1	12573591	SDXUUOSWCNMHLH-WTJYETQFSA-N	441.940	4.660	50	40	IJGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccncc2)c1C	20243930	XCMBAGKXDXXJOM-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1OC	100843718	KZYCZYXYWFGMRZ-RAXLEYEMSA-N	426.429	4.851	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1	408745836	VVYLREMXWRJEHK-UYRXBGFRSA-N	430.464	4.947	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC#N	408796531	YNGAPGKVFIHFLQ-MDWZMJQESA-N	446.688	4.559	50	40	IJGB	
CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)OC)cc2C)c1C	408932478	CGXGFQOMXPRLTP-YSMPRRRNSA-N	448.523	4.743	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)c(C)c1	409007901	ROIOPKIUSWWHET-WOJGMQOQSA-N	430.416	4.506	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C	409262907	JKUGKVQRLGAZIU-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1	409322855	YHFFNTJTJVXGBJ-SFHVURJKSA-N	437.590	4.736	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1	2078399	CRCWFYFMKMSQLD-MFKUBSTISA-N	433.464	4.645	50	40	IJGB	
CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccccc1Cl	6190707	DZPVMTOBSVJQPD-MRAZWZEMSA-N	447.966	4.763	50	40	IJGB	
COc1ccccc1[C@@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N	9693302	GAQFNDUZRSLABD-INIZCTEOSA-N	425.941	4.877	50	40	IJGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccccc1Br	13151674	YVBBKZHKZKLGMU-LSHDLFTRSA-N	443.128	4.890	50	40	IJGB	
O=C(N/N=C\c1ccc(O)cc1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1	30750191	WQEZXPKBAIIQKO-WGARJPEWSA-N	446.894	4.779	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCC3)c(C)c2)c(C#N)c1C	408546900	OQZQYKMMYUOOOR-UNOMPAQXSA-N	447.560	4.732	50	40	IJGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br	408813636	NPOFWWRKYDZVKN-RIYZIHGNSA-N	430.258	4.690	50	40	IJGB	
CCC(=O)NNc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2	2294382	PKZDCSUCPSLIDP-UHFFFAOYSA-N	442.563	4.819	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC1CCCC1	8442097	OTGLSNVPGUVPFW-OAQYLSRUSA-N	428.492	4.625	50	40	IJGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)=C(N)O3)cc1	9210670	WCIKHMYBSDGZJD-KRWDZBQOSA-N	426.398	4.712	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1	9322153	XUQWUHLGJJWPGM-UYRXBGFRSA-N	439.471	4.700	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1	9331547	GPEFDIXXKNRRRA-HXUWFJFHSA-N	427.529	4.859	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccccc2)s1)c1ccc(F)cc1	13597704	HIAKUMYQHCYUNZ-BKUYFWCQSA-N	432.571	4.602	50	40	IJGB	
O=C(CCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C\c1cccc2ccccc12	18066692	URXHLXBUXFBJPW-SVJPUMPYSA-N	436.515	4.764	50	40	IJGB	
COc1cc(/C=C(/C#N)C(N)=O)c(Br)cc1OCc1cccc2ccccc12	34759714	ALIHKHUIHWUCDV-MFOYZWKCSA-N	437.293	4.582	50	40	IJGB	
C/C(=N\NC(=O)CN1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917264	FOFUENVTYJRKRP-UJUMOLJKSA-N	428.580	4.839	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl	408586435	CBOQTZKPTZYNEB-OPEKNORGSA-N	444.318	4.822	50	40	IJGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccccc1Cl)c1ccccc1O	409225005	ORQMWUCJEZNULL-MSXFZWOLSA-N	429.259	4.682	50	40	IJGB	
COc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1CN(CCCl)CCCl	4705597	UOUHKECDYGEUJA-UHFFFAOYSA-N	443.287	4.535	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC	9453012	MCENMFYRTVFREI-XNTDXEJSSA-N	445.313	4.801	50	40	IJGB	
CCCC/C(C)=N/NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1	19926579	SEWIIIGZUQTROD-XQNSMLJCSA-N	435.977	4.602	50	40	IJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)c1ccccc1	28216659	TZZWNEQXSPLCQN-GQBLCDNYSA-N	440.341	4.694	50	40	IJGB	
N#C/C(=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1nn(-c2ccccc2)c(N)c1C#N	408720602	ACAPQXJHDUQVIE-WUXMJOGZSA-N	425.235	4.605	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3ccc4ccccc4c3)c2)cc1	408763832	KKWCCOUPDKQUKA-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	20932162	BOIKJDZKFPTEDC-SRZZPIQSSA-N	438.490	4.707	50	40	IJGB	
COc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-]	408860689	BYHCUHLIUDVWKU-ZMOGYAJESA-N	433.489	4.557	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c(OC)c1	408865374	DDYUUIPOKZUAFJ-FYJGNVAPSA-N	446.478	4.645	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1cccc(F)c1	408946793	BBKSFSXWCMIVSY-BKUYFWCQSA-N	426.495	4.980	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)n1	408974610	FMMRFIYMTKUKHX-WYMPLXKRSA-N	440.956	4.568	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	409184120	WYTDXZUQJWXTCK-UVHMKAGCSA-N	445.906	4.765	50	40	IJGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)c1ccccc1[N+](=O)[O-]	8781406	LPCAVEQBHPNCNE-WGOQTCKBSA-N	439.427	4.731	50	40	IJGB	
CC(C)n1c(SCC(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc2c1=O	23596911	PMEXAXBWQXLMTB-HKWRFOASSA-N	434.546	4.592	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1C	408530775	MQMAGIUIXRDVRV-XODNFHPESA-N	428.458	4.984	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1cccc(Cl)c1	408706698	CLAKAIWYMOPORQ-BRJLIKDPSA-N	445.281	4.965	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1cccc(Cl)c1	408758354	JFCFAEYFKVIAFH-BRMLBPPNSA-N	440.938	4.955	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cccc(OC)c2o1	408969229	JRNGSWDDGAQKTO-WSDLNYQXSA-N	429.270	4.533	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)c1	409251158	OSMATQWZBSSKDD-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)ccc1OC	12285481	CJWNEGWTZIJKSF-ZVHZXABRSA-N	441.325	4.702	50	40	IJGB	
O=C(COc1ccccc1)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	408526130	AAVSKLCXMRFPDC-ZVHZXABRSA-N	439.309	4.557	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Cl	408815184	IQWSFSHLBVBMDG-QPEQYQDCSA-N	437.254	4.620	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1	409270055	BNFRVJHTWAPSTM-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OCC)c1	409324546	SYQLCHSAXKLIDE-IMRQLAEWSA-N	430.504	4.993	50	40	IJGB	
CC(C)N1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2Cl)c2ccccc21	3281829	FFDBJLPAUHCHRJ-VYIQYICTSA-N	447.922	4.808	50	40	IJGB	
C[C@@H]1CCc2sc(C(=O)N/N=C3\C(O)=Nc4c(Br)cc(F)cc43)cc2C1	3380837	ZZNIMJRCUJHIIZ-MRVPVSSYSA-N	436.306	4.510	50	40	IJGB	
O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	3663674	BUZYGKRFQQLLGP-ZKDDGRGJSA-N	429.259	4.969	50	40	IJGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1OC	8951567	HQYOUDYHPNGDSQ-LJQANCHMSA-N	436.537	4.771	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OCc1ccccc1	20927233	VGVNOEJPMRPURP-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
COCCn1c(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc21	102018492	VJXUAVNUIXYSLX-PKJRHQKLSA-N	436.562	4.685	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	409203385	XQPWONGOICVRGU-FSJBWODESA-N	442.928	4.898	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3)c2)cc1C	1093767	KMXKHIPTJQNSJQ-VULFUBBASA-N	435.911	4.738	50	40	IJGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1OC	9292965	CFZVBFBLNOCACA-OAQYLSRUSA-N	430.508	4.826	50	40	IJGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3O)nc3ccccc23)cc1	9347828	WUYKRZHTVWBSEJ-MUFRIFMGSA-N	438.487	4.720	50	40	IJGB	
CCC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	16610004	SHNQYEOZWCVJKK-ZVBGSRNCSA-N	444.112	4.835	50	40	IJGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1	36020551	QZGYLUZTPLRKSU-ZMOGYAJESA-N	427.501	4.543	50	40	IJGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)cc(I)c1OC	408567386	MHDOMIYCKCMERP-PXNMLYILSA-N	430.245	4.634	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)c2C)cc1	408757958	FAKJPQGIVLGDRD-PGHSYAEWSA-N	434.547	4.864	50	40	IJGB	
O=C(COc1cccc(Br)c1)N/N=C\c1ccc(Sc2ccccc2)o1	408996439	DTJMSYZATHLTGM-MTJSOVHGSA-N	431.311	4.722	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc(Br)cc1	409200302	KPBRUYORPCZVEU-NFCNUSAFSA-N	435.325	4.614	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1cccc([N+](=O)[O-])c1	409237379	UDUHRCLOUDJSPM-JCMHNJIXSA-N	428.492	4.658	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc3ccccc3c2)nnc1-c1ccccc1	13597935	DMPUOGFJTPKVLZ-UQQQWYQISA-N	429.549	4.751	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N2C(=N)C(C#N)=C(O)/C2=C/c2ccc(Cl)c(Cl)c2)cc1	104240720	FEDZYBYXJJIOHD-VDCQQBIESA-N	441.274	4.762	50	40	IJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1C	408692619	QTDFRSXHXUPDJO-RPPGKUMJSA-N	445.350	4.972	50	40	IJGB	
Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c1	408776065	MWMYASRPTTWROT-UHFFFAOYSA-N	435.634	4.846	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1	409325898	CLRFOIKJQUGFPA-UCQKPKSFSA-N	449.345	4.799	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(OC)c1OC	673165	VDDQQFOFCCCMHF-LSFURLLWSA-N	439.320	4.998	50	40	IJGB	
CCOC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)cc1	1888385	ZSSVYGAVFFLVSW-JUJXNAJKSA-N	426.925	4.638	50	40	IJGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CC[C@@H](C)C2	3403340	IUSWWZHULFFWTB-REMUQMNCSA-N	426.973	4.843	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1	20240394	XXGCDRGVRHDHIY-ZTKZIYFRSA-N	440.591	4.896	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C#N)CCCC2	96850989	KULCORVAXMQVQK-MXAYSNPKSA-N	447.520	4.578	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408795188	KKSBJUROIHSUHW-NTEUORMPSA-N	445.700	4.669	50	40	IJGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C3=NN(c4ccccc4)[C@@H](N)[C@H]3C#N)o2)cc1	408857308	UGDYPXUFXOKCTA-RMXRUXEDSA-N	425.517	4.947	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)c(OC)c1	408871590	HMTOBKGBTWYOEH-OEAKJJBVSA-N	442.515	4.815	50	40	IJGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)c(C#N)c1C	409391868	LXQJZYXWAFCCAF-IPPBACCNSA-N	439.519	4.891	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C)cc2)nnc1-c1ccc(C(C)(C)C)cc1	1806400	ALORFWAEHIJQKR-MFKUBSTISA-N	435.597	4.813	50	40	IJGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2)cc1	12469638	NOTPRMSBFGFYQF-AFUMVMLFSA-N	431.517	4.958	50	40	IJGB	
COc1ccc2c(c1)c(C(=O)NN=Cc1ccc(OCc3ccccc3)cc1)c(C)n2C	252679248	JXTQBQODWMWQLS-UHFFFAOYSA-N	427.504	4.838	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1OC	408774395	VQTSGBZGHJUZLM-OVCLIPMQSA-N	445.313	4.799	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408956216	ZDRMVGLBQSYLHN-MYKKPKGFSA-N	428.851	4.740	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)n1	408976738	RVWHXUBCWSFFOK-WYMPLXKRSA-N	440.956	4.568	50	40	IJGB	
COc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1OC	409359220	AITNKAGZCSRIEA-YSMPRRRNSA-N	438.911	4.629	50	40	IJGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccn(Cc2cccc(Br)c2)n1	1081804	JBCKEZZGJBBIER-ZVHZXABRSA-N	433.309	4.611	50	40	IJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccccc2Cl)cc1)OCO3	3628351	PWYXIAOXUSMQIW-HSZRJFAPSA-N	432.863	4.866	50	40	IJGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2C)ccc1OCc1ccccc1	8843116	OMALFUHHHWTNHU-CVKSISIWSA-N	434.561	4.966	50	40	IJGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3ccccc3n2)cc1	9562093	BGYPZDZSYWSRIL-OGLMXYFKSA-N	447.498	4.860	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)cc1	33767080	SOGKIBHIWZVOPR-OYKKKHCWSA-N	448.504	4.777	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)ccc1O	408850193	HVBSESGQPNAGOY-PKAZHMFMSA-N	425.488	4.931	50	40	IJGB	
COc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12	409147487	ZGLXTHKQQBDXSM-CPVAOEHFSA-N	440.499	4.611	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)s1	1477353	UKRXUUXIVCADCU-OEAKJJBVSA-N	433.562	4.547	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	2672623	GJFJCFFAGXKHFA-WGOQTCKBSA-N	445.475	4.875	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN(C(=O)c2ccccc2)c2ccccc2C)cc1	16678476	QRUMEIIVDKCKCW-TURZUDJPSA-N	442.563	4.638	50	40	IJGB	
C/C(=N/NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)C2CCCCC2)c1	17097810	JSBGAHMMXLRREX-QRVIBDJDSA-N	432.318	4.715	50	40	IJGB	
CC(C)(C)OC(=O)N1[C@@H](Br)C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1	85221160	NOVNBQKUIAJJBO-RCCFBDPRSA-N	432.314	4.984	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Br)cc1OCC#N	408798856	WZGFOHNZRSGXGI-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1	408933627	BCXRGMGRMCTTEX-QNGOZBTKSA-N	446.528	4.871	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccc(C)cc1	409211081	MNHRTNNVRPJLPM-ZHZULCJRSA-N	443.459	4.994	50	40	IJGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)ccc1OC	409311917	CWBFWMBDIIUJFI-YUMHPJSZSA-N	448.519	4.754	50	40	IJGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)cc1C	16713657	YUZZHETUPKPIJW-XSFVSMFZSA-N	438.487	4.673	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1Br	20243999	RTHDVQVXSWDHKY-PXLXIMEGSA-N	435.387	4.848	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C	408589337	LKLAYAFEAFPFNB-BRJLIKDPSA-N	444.318	4.951	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	408760479	ZGQRHFRGJIWNMC-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	1775344	JMCSEIRPSXRGLZ-XTFCHBONSA-N	438.531	4.898	50	40	IJGB	
CCOC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1	33731805	GUVNQZMNZZMIPB-DHDCSXOGSA-N	440.297	4.640	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(F)cc1	59334670	CJZKWILQAHHTFF-SXGWCWSVSA-N	447.304	4.561	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OCC)c(OC)c2)c1	408742243	QGFXXOPAEXAQNE-OQLLNIDSSA-N	445.313	4.801	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1OCc1ccccc1	979684	OLBBRCOKKMOFTQ-OVVQPSECSA-N	425.488	4.829	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(C)cc1	1438731	UMASFEDIHMXBAY-CIAFOILYSA-N	442.471	4.827	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(Cl)cc1OC(C)C	6015163	WCMXPXNVOVIWIQ-LJQANCHMSA-N	436.899	4.744	50	40	IJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCCC1	20898782	ATCWXKZBJANAKC-UHFFFAOYSA-N	429.691	4.912	50	40	IJGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1cc(Cl)ccc1Cl	58914071	NDWNZFMGOHOCBI-MXAYSNPKSA-N	449.382	4.690	50	40	IJGB	
COc1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1	73417898	NIMKUIZJGMIFAP-UHFFFAOYSA-N	425.468	4.874	50	40	IJGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/NC(=O)Nc1ccc(SC#N)cc1	101123747	XPTKGGTUDSEIRV-DEDYPNTBSA-N	427.489	4.841	50	40	IJGB	
CCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(CCC)c2ccccc2c1=O	102862539	CJVSQZRGHYCRGG-UHFFFAOYSA-N	443.588	4.799	50	40	IJGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408798091	UTPZLHMPOQXXJV-VZUCSPMQSA-N	436.649	4.565	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)o1	409154785	OLQNCFQWGIOBDN-AFUMVMLFSA-N	433.464	4.571	50	40	IJGB	
CCc1ccccc1NC(=O)N/N=C\c1cccc(OC)c1OCc1ccc(C(=O)O)cc1	409185337	XMLALQLYAJHGCT-YSMPRRRNSA-N	447.491	4.690	50	40	IJGB	
Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)c1	781539	KIWJGDMDRPTPRV-JDCXBEBJSA-N	443.547	4.539	50	40	IJGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1051698	GWBOYDXFEFIPDI-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1	1090991	PPWSZVCMPQJCGZ-ZHZULCJRSA-N	428.492	4.607	50	40	IJGB	
CCOc1ccc(Oc2c(/C=N\NC(=O)c3cccnc3)c(C)nn2-c2ccccc2)cc1	33423941	ZHJBHVRBUYIDAB-PKAZHMFMSA-N	441.491	4.531	50	40	IJGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	59937512	XDKPNIXQOVGLPI-SSDVNMTOSA-N	446.688	4.712	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)c1	408744421	FPFNQQTYIPCJBG-STZFKDTASA-N	443.503	4.825	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1	409045601	ZTDYMTWNVNXDEH-ZHZULCJRSA-N	442.471	4.908	50	40	IJGB	
COc1ccc(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)cc1	1057128	SFQLSKPOMPVASZ-QFIPXVFZSA-N	444.491	4.544	50	40	IJGB	
N#CC(C(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1)=C1Nc2ccccc2N1	3451038	SPEYZHQRSMKELY-UHFFFAOYSA-N	448.331	4.612	50	40	IJGB	
COc1ccc(N(CCC#N)C(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	6149962	HAMFFPVEHAHRQT-ICFOKQHNSA-N	442.431	4.717	50	40	IJGB	
CC(=O)c1cccc(N2Cc3ccccc3/C2=N\C(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c1	102928039	BNBOOSJKKXCBFD-RGJPREJZSA-N	449.466	4.518	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC	408567261	CSGQUHLPGSAELR-ZSOIEALJSA-N	440.272	4.939	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Br	408737572	DSSIDYFMSJCGHO-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc2c3c(cccc13)CC2	408755217	MXQPAPSLMWYDIE-MUFRIFMGSA-N	431.495	4.557	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1	1082499	WOSWRNODWNLKHH-MOSHPQCFSA-N	429.476	4.655	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cn1	8691062	YXLUSRLFRMLITL-VULFUBBASA-N	442.431	4.708	50	40	IJGB	
CCCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1OC	8721061	PUTIENKBYLSUKN-OAQYLSRUSA-N	432.476	4.589	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(Br)c2)o1	9190142	MGCXWUNOXPYARF-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1cc(OC)ccc1O	33339740	LHHUNDLRLSWRAS-BOPFTXTBSA-N	448.500	4.852	50	40	IJGB	
COc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	33445999	MTVSQVMBDCRWPX-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)c1	409194929	GBBGRNRQTYAMQB-WSDLNYQXSA-N	427.504	4.663	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1	19850027	JPGVRRNUQUIJTR-YBFXNURJSA-N	438.987	4.709	50	40	IJGB	
CCOc1cc(C(=O)Cl)cc(I)c1OCc1cccc(F)c1	217711774	VUQJPABMHBIDCD-UHFFFAOYSA-N	434.632	4.787	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc(Br)c2)cc1	408892399	AZMYCKLJTNKHLE-ZVHZXABRSA-N	437.293	4.741	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)CCCc3ccc(OC)cc3C)c2C)cc1	408911714	OBODCCMMYIPWOL-WPWMEQJKSA-N	433.552	4.893	50	40	IJGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1	409119424	WOISQNSZGDCRLU-LHLOQNFPSA-N	449.576	4.559	50	40	IJGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)cc1	409191337	WCMVWNORIDFLDX-RGEXLXHISA-N	426.520	4.554	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c(O)c1	409393690	ZAKFLRZHORJQHK-JVWAILMASA-N	426.472	4.897	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)[C@@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C(C#N)=C(N)O2	2258799	CNQRKVMMPWMMOJ-HSZRJFAPSA-N	436.515	4.990	50	40	IJGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1	3192635	QJEHSYWSBDOOAH-IZZDOVSWSA-N	434.355	4.649	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C(C)C)cc2)cc1	408785585	ZYGBRGQENQIHEN-UHFFFAOYSA-N	441.597	4.750	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)c1	408967897	SOZSCXDKIAGYGQ-MOSHPQCFSA-N	431.467	4.956	50	40	IJGB	
COc1cccc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)c1OCc1ccc(C(=O)O)cc1	409186625	FRYPKJNYLWBJRJ-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccccc2Cl)o1	855652	AAXXNTGEGPEQJY-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1	1435844	CGTVGWDYVNIPRA-GOSISDBHSA-N	426.339	4.815	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1cccc(C)c1	13943111	INYMWEUPLWRCLR-NLRVBDNBSA-N	439.556	4.817	50	40	IJGB	
Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1	32109613	VDCQQTAPNQSDBC-CNSVBDKNSA-N	433.939	4.854	50	40	IJGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1	408542260	KEOOVHTUKVVFRM-MZJWZYIUSA-N	445.906	4.894	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	408787879	HGEREIQORWGJGB-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1	408798534	VQYAINRJSATOPW-NBVRZTHBSA-N	437.927	4.713	50	40	IJGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408799112	XZRAYUNDDKJMHZ-VZUCSPMQSA-N	436.649	4.565	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Cl)cc1C	409260415	PZLYTJWZIRLWAB-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	20197912	BXVDZQBMKDRUNJ-JVWAILMASA-N	436.483	4.966	50	40	IJGB	
CCOC(=O)Nc1sccc1/C=C(/C#N)S(=O)(=O)c1ccc(OC(F)(F)F)cc1	35623036	SVOMNTNYQOHZQG-ZROIWOOFSA-N	446.428	4.553	50	40	IJGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)Nc1nccs1	408707239	IICBBYRPMQALQY-AUEPDCJTSA-N	448.335	4.591	50	40	IJGB	
CCC[C@@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1	408955391	OOUOYXXQPBADHM-NRUOGFOHSA-N	438.568	4.863	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1F)C(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	1065514	VIKKMHKPUMWBEC-OAQYLSRUSA-N	432.455	4.675	50	40	IJGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1	13174309	CERLLHAQDHXPTC-OAQYLSRUSA-N	433.533	4.697	50	40	IJGB	
Cc1ccc(OCCOc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2Cl)cc1	13881168	DUWWLNXFYUSCLK-CPNJWEJPSA-N	436.895	4.923	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)cc1	33572796	MFGUPSVWPVCNMB-MZJWZYIUSA-N	446.894	4.513	50	40	IJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc21	208436665	MPXWOJKFAALEFA-CFRMEGHHSA-N	442.357	4.610	50	40	IJGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2Cl)cc1	408900260	UNNBILMVXXETML-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1)Nc1ccccc1Cl	409273562	ZCMDKCLBNJGWJT-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
O=C(O)c1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1	2251618	FMYBDHJVOAJWSA-UVHMKAGCSA-N	442.393	4.747	50	40	IJGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)ccc1O	6135437	OSHWCHCREYNBFC-SFHVURJKSA-N	435.549	4.573	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(OC)c1OC	9442347	UVJUULHKYWRZAT-XYOKQWHBSA-N	440.805	4.930	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)ccc1OC	78546530	ABVUOISTBKIIPS-AFUMVMLFSA-N	448.548	4.875	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3cccc(C#N)c3)c3ccccc23)cc1	408711776	JXNSNERGUCGWQH-STBIYBPSSA-N	436.515	4.653	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc2c(c1)OCO2	408744083	WIKHGLZFJGOQDP-ODLFYWEKSA-N	428.444	4.549	50	40	IJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408802347	ZITKRRZCJONNAX-MDWZMJQESA-N	446.688	4.559	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C/c2cc(Br)ccc2O)c(C(C)C)cc1Cl	704158	VGOWEZRVJVNEAN-LSFURLLWSA-N	439.737	4.769	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3cc(C)cc(C)c3nc2Cl)C(C#N)=C(N)O1	898858	DBHMOGXVRKOCLP-SFHVURJKSA-N	425.916	4.928	50	40	IJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	1000458	FXGCPSBPZWYWSW-CVKSISIWSA-N	426.432	4.628	50	40	IJGB	
Cc1ccc(C)c(OCCn2cc(/C=C(/C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)c1	13124091	KIWJGDMDRPTPRV-RNHBDSLOSA-N	443.547	4.539	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1O[C@H](C)CC	35078221	TUJSFBBAYAVRCO-CIKLGQITSA-N	433.892	4.517	50	40	IJGB	
Cc1ccc(Sc2oc(-c3ccccc3)nc2C(=O)NNC(=O)c2ccccc2)cc1	41154320	WONWMVMMVRWSRN-UHFFFAOYSA-N	429.501	4.876	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C	208440640	BWFOIGFIIHZRBS-ZMOGYAJESA-N	442.357	4.853	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)CSc3ccc(OC)cc3)c2C)cc1	409185150	SNAQTGIPRQXISD-MYYYXRDXSA-N	437.565	4.744	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccccc1	409229436	OZDYFFHAQQQLIH-CEZZIEKDSA-N	427.460	4.958	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3)nc3c(C)cccn3c2=O)cc1	2407598	ZVTRMZAGUQEXPY-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
O=C1c2ccccc2C(=O)N1S[C@H]1[C@H]2C=C[C@H](c3c(F)c(F)c(F)c(F)c32)[C@@H]1Cl	36022854	RJAQGBXKEOSJMD-TYPVXIKTSA-N	439.817	4.914	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	408809744	IUEHQWHLXNNDOP-BKUYFWCQSA-N	446.478	4.645	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Cl)cc3)c2C)c(C)c1	408939594	SZXCEPIMSPCYRS-MXAYSNPKSA-N	438.915	4.998	50	40	IJGB	
COc1cc(Br)cc2cc(C(=O)N/N=C/c3ccc(N4CCCC4)cc3)oc12	408960478	MACHMCJOPXZJTN-YDZHTSKRSA-N	442.313	4.568	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc(Cl)cc2Cl)=C(C#N)[C@H]1c1ccccc1	409129199	IZWMOTISRQRIDG-QZTJIDSGSA-N	447.343	4.665	50	40	IJGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	409322003	KEWDTINTCBYAIP-QGZVFWFLSA-N	429.339	4.730	50	40	IJGB	
COC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)sc(C)c1C	2198325	JROLANPZIVWJHM-ZSOIEALJSA-N	439.518	4.980	50	40	IJGB	
CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccc(Br)s2)cc1	3175228	YJQKFYQHISYWNO-HADWXUJASA-N	439.375	4.997	50	40	IJGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cc([N+](=O)[O-])ccc1Cl)C(C#N)=C(N)O2	8783422	LMAIGRRTTBXNPY-GOSISDBHSA-N	442.262	4.614	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccccc2N)ccc1OCc1ccc(Cl)cc1Cl	169893755	DEICKPVLJMWGQD-ZRGSRPPYSA-N	444.318	4.927	50	40	IJGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1	409223431	ZMELPSGGNYKREJ-QCYAWUEASA-N	441.531	4.974	50	40	IJGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccc(Br)s2)n[nH]1	868146	BUJLOVVPHGYOBU-UFFVCSGVSA-N	441.310	4.523	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1OC	9693276	YYWIKSYTFXFYAT-LJQANCHMSA-N	435.549	4.622	50	40	IJGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)C(=O)Nc1ccc(F)cc1	16428183	AHMBNBJWUVFJJE-YHYXMXQVSA-N	440.066	4.602	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	408806729	BLYBOOGEYVICMA-LUJYGJGBSA-N	427.460	4.958	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1	408985114	VJUHADNKGDVHQU-XGICHPGQSA-N	439.682	4.964	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)cc1	409002942	QFZNREGYLNXSDH-CIAFOILYSA-N	431.311	4.966	50	40	IJGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OCC	409312152	JQRVEGAKBSTZLN-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1	409332559	HFZNSMPCAPZMLX-IBGZPJMESA-N	437.590	4.736	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1OC	3290422	NMRXSPJTJBPJQG-LZYBPNLTSA-N	429.314	4.937	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3[N+](=O)[O-])c2C)cc1	20198193	ZVDPAJYCLHXUIH-MFKUBSTISA-N	434.496	4.863	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	20518137	BVCXABPXRFBHDS-CIAFOILYSA-N	447.498	4.713	50	40	IJGB	
N#C/C(=C/c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1	26779404	LMAASRHSPPYGFP-SSZFMOIBSA-N	442.862	4.686	50	40	IJGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1Br	58915679	UZAHMWCGVCZHEH-DJKKODMXSA-N	442.176	4.595	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1cccc(Cl)c1	408758360	JFCFAEYFKVIAFH-VQPOWJEXSA-N	440.938	4.955	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OC	2630507	DATUERXJNUTOBB-GXDHUFHOSA-N	440.862	4.536	50	40	IJGB	
O=C(CCCCCC(=O)N/N=C/c1ccc(Cl)s1)N/N=C/c1ccc(Cl)s1	2750851	UFGOHRUNYFKXSS-CLVAPQHMSA-N	445.397	4.667	50	40	IJGB	
Cc1nc(SC(F)F)nc(O)c1CCC(=O)NN(c1ccccc1)c1ccccc1	12914490	FGXKAMUZKWLSGM-UHFFFAOYSA-N	430.480	4.607	50	40	IJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1cccc(Br)c1	20238310	BRUXCQCRNZPGSS-GOSISDBHSA-N	440.366	4.664	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OC(=O)c1ccco1	30738623	XNFXLFRITCGKHP-QQXSKIMKSA-N	434.492	4.959	50	40	IJGB	
FC(F)(F)C(F)(F)C(F)(F)O[C@](F)(CCI)C(F)(F)F	95677043	HJDWQDVEEKHDLR-GSVOUGTGSA-N	439.990	4.847	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1)C(=O)Nc1ccc(Cl)cc1	409005179	DCMINBVQGGYUEX-XNTDXEJSSA-N	436.807	4.542	50	40	IJGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3C#N)c(Cl)c2)C2=C1CCCC2=O	409130652	XDAFHWDWNLQNBF-HSZRJFAPSA-N	444.922	4.521	50	40	IJGB	
CC(C)[C@]1(C)C[C@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	1673454477	UREQLSZNUCLWOL-BVAGGSTKSA-N	431.536	4.797	50	40	IJGB	
N#CC1=C(N)OC(c2ccccc2)=C(S(=O)(=O)c2ccccc2)[C@H]1c1cccc(Cl)c1	623082	VZOSUMHRWWRILV-NRFANRHFSA-N	448.931	4.990	50	40	IJGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1O	940855	WHZDAYAPWKMWAN-LFIBNONCSA-N	436.464	4.982	50	40	IJGB	
Cc1cccn2c(=O)c(C=C(C#N)C#N)c(N(Cc3ccccc3)Cc3ccccc3)nc12	2408676	CGWLLHMZAUNAIO-UHFFFAOYSA-N	431.499	4.640	50	40	IJGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(OCC)c1OCC	15945150	AKOACDREWLQPBR-ZVHZXABRSA-N	437.452	4.631	50	40	IJGB	
COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(Cl)cc3)c2)cc1	17099773	GBZBFMLQHNHZDG-YUMHPJSZSA-N	435.911	4.684	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2ccncc2)cc1CSc1nc2ccccc2s1	33352470	MRXBGFJPRIUPTD-CFRMEGHHSA-N	434.546	4.756	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)Nc1ccccc1	83297326	MOASTNRHQITOMJ-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)c1	408587630	GNRYECCLHOCMSR-OGLMXYFKSA-N	445.563	4.871	50	40	IJGB	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408745287	LEBZKASQSVKMEP-WZUFQYTHSA-N	425.655	4.656	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OCC	408904182	FZSCOGSWUGYJLD-JJFYIABZSA-N	431.832	4.556	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408922914	HOHAYFBZEZGAIZ-XSFVSMFZSA-N	431.467	4.956	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	409001025	ZVHAIBKMIDXBQG-MXAYSNPKSA-N	447.520	4.578	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1C	409255641	ZGBFALCBLATATH-OJSPLJLUSA-N	444.491	4.795	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1OC	2311167	SZEGHWJZQARFQS-OGLMXYFKSA-N	441.531	4.708	50	40	IJGB	
CCOc1cc(Br)cc(/C=N\NC(=O)COc2ccc([C@@H](C)CC)cc2)c1O	10058872	PYILEGARQHHHKH-IIHGDPFSSA-N	449.345	4.596	50	40	IJGB	
CC(C)n1cc(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc21	10118663	QURGNCKTRXZPHT-SRZZPIQSSA-N	431.277	4.591	50	40	IJGB	
CC(C)c1ccc(/C=N\NC(=O)c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1	28632619	DBDCWUFRQRPTSD-MYYYXRDXSA-N	430.464	4.734	50	40	IJGB	
COc1cccc([C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1	169840210	QNLRECGCWBMDFX-DLBZAZTESA-N	425.598	4.736	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])nn2-c2ccccc2C)cc1	408724867	MIUHCMPMCCUALZ-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1	408896972	PJGKKHZWUZKEBI-GHRIWEEISA-N	438.892	4.653	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1ccc(Br)cc1	408997267	MKSHEOLTBUZLJW-YDZHTSKRSA-N	443.297	4.784	50	40	IJGB	
Cc1[nH]nc2c1[C@@H](c1ccccc1OCc1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	409142306	XZNMCCOOZJPBNK-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409190074	VRZYIVKMPNCUOE-RGEXLXHISA-N	428.492	4.872	50	40	IJGB	
C=CCn1c(C)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21	8812686	WRIAGQYRYCSQGH-YDZHTSKRSA-N	426.314	4.671	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4[N+](=O)[O-])CC(=O)N3C2)cc1Cl	12251120	WUUMWBQWCGUZAP-MRXNPFEDSA-N	440.912	4.776	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc(Br)c1OCC	409362395	JHGVPLVPBQWEEX-QRVIBDJDSA-N	433.346	4.556	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(SC)cc2)nnc1-c1ccc(Cl)cc1	1295080	MHPGWZDMSJGRSZ-WSDLNYQXSA-N	446.001	4.583	50	40	IJGB	
COc1ccc(Br)c(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1	3174513	CMTSMSUDQZGNPO-WQEJZQBCSA-N	427.298	4.529	50	40	IJGB	
COc1cc(/C=C/C(=O)NNc2c(Cl)cc(Cl)cc2Cl)ccc1OCC#N	9452986	JAHIRDDUMCVKKT-HWKANZROSA-N	426.687	4.714	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1cccc2ccccc12	9905945	CKJNTLWTJJZEFF-OGLMXYFKSA-N	439.471	4.617	50	40	IJGB	
CC(C)(C)OC(=O)N/N=C(C(=N/NC(=O)OC(C)(C)C)/c1ccccc1)\c1ccccc1	16322910	KUJQBVCOFSPQNU-FQHZWJPGSA-N	438.528	4.844	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	57399500	ZUPNRHJZRRUECC-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(C(F)(F)F)cc1	408570832	ZBMJVPNXKHZOLH-FOKLQQMPSA-N	426.485	4.713	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2C)cc1	408877541	VQBFCZGUYWZKOY-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1	409205958	SDEGVJNTPRAFIH-QIPHDZALSA-N	437.902	4.684	50	40	IJGB	
CCCN(Cc1ccc(CN(CCC)C(=O)C(Cl)Cl)cc1)C(=O)C(Cl)Cl	1614591	ZLEZPOIGRIXWHW-UHFFFAOYSA-N	442.214	4.771	50	40	IJGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	3085166	SMBDNXOMEBRJJJ-OVVQPSECSA-N	429.520	4.697	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc2c(c1)OCO2	9886326	KBLTXGKGAVHOJH-RPPGKUMJSA-N	431.879	4.836	50	40	IJGB	
COc1ccc(/C(C)=N\Nc2ccc(C(=O)N/N=C(\C)c3ccc(OC)cc3)cc2)cc1	96399223	MPHTYFWWYSGCFX-JTXLREJOSA-N	430.508	4.694	50	40	IJGB	
O=C(NNC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1Br	1410865	FHQWOOCTYZFDDW-UHFFFAOYSA-N	442.338	4.873	50	40	IJGB	
COc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1	16956871	XZNMZGOGKSTNRW-UHFFFAOYSA-N	442.903	4.988	50	40	IJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc3ccccc23)[C@@H]2CN(Cc3ccccc3)CC=C12	36031839	PPXULTQNGHRABN-SXOMAYOGSA-N	441.538	4.765	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1	58839983	LYNOHCFQHHRZDX-CVKSISIWSA-N	438.911	4.629	50	40	IJGB	
COc1cccc(N/C=C(/C#N)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c1	100333876	LNRIWWMJQFQTJD-FLIBITNWSA-N	427.835	4.943	50	40	IJGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)c1	408782535	IBAJPXUNHCNFDQ-OYKKKHCWSA-N	440.341	4.558	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)c(OC)c1	408870013	UKEXLOJJBYDWSN-YDZHTSKRSA-N	443.547	4.952	50	40	IJGB	
O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1cccc(Br)c1	409064870	QNGJKKMQGPSFMY-NUGSKGIGSA-N	449.667	4.588	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2Br)cc1	3091763	CWNDONVSRYOGQY-FSJBWODESA-N	437.769	4.511	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1OC1CCCC1	8442096	OTGLSNVPGUVPFW-NRFANRHFSA-N	428.492	4.625	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1	28215434	NSHBPRFOXPTZMJ-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Br)cc1OCC#N	408788264	BUEQPPLWSPWNDP-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)cc1	408789020	HFPWUUIYKLWHRW-PXLXIMEGSA-N	426.472	4.906	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cc(C(=O)O)ccc1Cl	408846926	KQVSREDVBVICQX-ROTLSHHCSA-N	435.867	4.956	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Cl	409234899	AHNFNXYUPYYEMV-KDVQLTRESA-N	447.318	4.720	50	40	IJGB	
COc1ccccc1[C@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N	9693301	GAQFNDUZRSLABD-MRXNPFEDSA-N	425.941	4.877	50	40	IJGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	12555947	ALRWVYWPCRCQBT-GZTJUZNOSA-N	433.395	4.564	50	40	IJGB	
CCN(CC)S(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)c(NC(=O)CCl)c1	16044867	GEZSYVDHONHARV-UHFFFAOYSA-N	447.409	4.699	50	40	IJGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20247148	POPXUULOPSKQQC-PODSUIKTSA-N	449.963	4.878	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1	20764395	IYMVNDQFHRFSPV-AFUMVMLFSA-N	425.916	4.919	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	408793943	HKDOVDQOJGXSHN-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408827511	KEBUJARGNDXSQB-ZVHZXABRSA-N	435.505	4.725	50	40	IJGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1	409003141	RGESUICSKUDYBJ-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(C)cc2)cc1	409254315	IFQKWAREOFTYQB-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1	409318196	VBRMENLGSBNTKB-YUMHPJSZSA-N	448.519	4.754	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cc2ccccc2cc1O	711903	GAMJTNYFMHSKEV-ZMOGYAJESA-N	428.473	4.930	50	40	IJGB	
Cc1ccccc1N1C(N)=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O	1063240	MNZHZZMUKGOUMO-JOCHJYFZSA-N	428.492	4.844	50	40	IJGB	
CC(C)(C)N(NC(=O)c1cccs1)C(=O)c1ccccc1NC(=O)c1cccs1	4109973	PPZQQLQGPNBTCB-UHFFFAOYSA-N	427.551	4.648	50	40	IJGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccccc1OCc1ccc(F)cc1	9204131	XIZMSMVPZCQTIX-AFUMVMLFSA-N	441.300	4.860	50	40	IJGB	
C[C@@H](CCBr)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1	13943007	KRWAVJGJXLIJRN-HNNXBMFYSA-N	435.387	4.577	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c(OC)c1	33376268	LSCAJGPSAYJXGA-DHRITJCHSA-N	425.916	4.837	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408745366	MIVWEJGZXATWLG-ZROIWOOFSA-N	445.700	4.669	50	40	IJGB	
CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NN=C2CCCCCC2)cc1	408908183	USGOJRSEIDZJRP-UHFFFAOYSA-N	447.988	4.746	50	40	IJGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1	409071902	QLVYKWZTGJFFSV-GHRIWEEISA-N	438.892	4.653	50	40	IJGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)OCCO1	710739	QMJQYXXNOFGGCM-BRJLIKDPSA-N	446.334	4.600	50	40	IJGB	
COc1cccc(OCCCOc2c(/C=N/NC(=O)Nc3ccccc3)cccc2OC)c1	12285216	AMVDNILIEGINOM-NLRVBDNBSA-N	449.507	4.707	50	40	IJGB	
O=C(N/N=C\c1cc(Br)ccc1O)[C@@H]1CC1(c1ccccc1)c1ccccc1	13305515	UQDSXJMZNZPXMS-FXONECCMSA-N	435.321	4.611	50	40	IJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccccc2Br)o1	20760442	OFPQEBLOSOPNFU-ZMOGYAJESA-N	449.308	4.967	50	40	IJGB	
CCc1ccc(C(=O)NNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1	32996176	BLWWLWGODFYDQQ-UHFFFAOYSA-N	431.517	4.757	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1	33731486	HTEYSDFJRUQVQE-RWPZCVJISA-N	442.494	4.859	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)c2C)cc1	106953446	AMHZORBPSQCZLR-RWPZCVJISA-N	436.515	4.666	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)O)c2C)c1	408745554	NTSRWHNBWYNCAN-UYRXBGFRSA-N	429.476	4.737	50	40	IJGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2OCCC)C(C#N)=C(N)O3)cc1	9329333	QPBONLWFHBQMMQ-NRFANRHFSA-N	430.508	4.872	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccccc3OC)ccc21	14922287	QTEUSWQQPHCJMD-OGLMXYFKSA-N	442.519	4.958	50	40	IJGB	
Cn1c(/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)nc2ccccc21	98053641	PEDPTMYUCQNIMW-WDZFZDKYSA-N	433.103	4.868	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1cccc(Cl)c1	408864647	XYNLZXRXIBZANC-CVKSISIWSA-N	438.911	4.847	50	40	IJGB	
O=C(N/N=C/c1cccnc1)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1	408973467	BAMBWZKVMVUOAV-VUTHCHCSSA-N	434.499	4.616	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccccc2)nnc1-c1ccc(Cl)cc1	1771215	PHKMNTLTDYHFQE-ANOBHYCHSA-N	439.972	4.916	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1C	9614446	ZANGWGUFQKCJNB-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccccc3Cl)CC(=O)N2C1	9693163	NOATVXCHYJBHEL-MRXNPFEDSA-N	425.941	4.958	50	40	IJGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C	223547522	GBBOQAURKFGEFZ-MQKZQLNTSA-N	438.528	4.625	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccc(F)cc2)c1	408802417	DWEAHVHSMCOVBV-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(F)c1	408804044	VGOWZKKECJFQBB-HYARGMPZSA-N	430.479	4.679	50	40	IJGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1Cl	409064144	BUBGUKIHEAXKGE-SAPNQHFASA-N	438.892	4.653	50	40	IJGB	
COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c21	1068806	YFKWTDXNISODLI-OAHLLOKOSA-N	431.254	4.749	50	40	IJGB	
Cc1cc(C)nc(NNC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)n1	9112724	HVMYRACRVOHCRC-UHFFFAOYSA-N	446.458	4.578	50	40	IJGB	
C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC)cc1C	12601865	AMBWFPFKTUGYAJ-CAPFRKAQSA-N	426.520	4.846	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1C	58913217	WOOHORAORHKXJB-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1	103856935	LSXIPJHASXLBPA-NHDPSOOVSA-N	448.482	4.972	50	40	IJGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408569464	NXUNFTIZLPRVPJ-BUVRLJJBSA-N	441.622	4.603	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)c1	408726326	BFPLAZSACTZPLE-QDTIIGTASA-N	439.437	4.998	50	40	IJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OCc1ccc([N+](=O)[O-])cc1	409089774	KEIQOGPIWSGCBP-RGEXLXHISA-N	429.432	4.728	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1F	3090667	YDIUCWYOAUMGDZ-ZMOGYAJESA-N	440.272	4.604	50	40	IJGB	
CC[C@H](C)/C(C)=N/NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	12555788	DUXBPCCFFRCYKO-GLXUHCQUSA-N	442.368	4.946	50	40	IJGB	
CCc1sc(C(=O)NNC(=O)c2ccccc2SCc2c(C)noc2C)cc1C	12742310	OAMWBABVYHGYSP-UHFFFAOYSA-N	429.567	4.591	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(Cl)cc1	59334310	KJUOOODIDANORM-NVNXTCNLSA-N	449.732	4.685	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)OC)ccc3C)o2)c1	408746614	TXCWVJUFYDKCGD-PDGQHHTCSA-N	430.460	4.986	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1	408792450	JYTIKLYFFQBUGU-XSFVSMFZSA-N	430.435	4.737	50	40	IJGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CSCc2ccccc2)cc1	408993039	BOYOBBFKRJHFSQ-MFKUBSTISA-N	448.548	4.858	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccc(C)cc1	409070291	FHRYFYHOOCDFNV-QGOAFFKASA-N	446.484	4.977	50	40	IJGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)c1	1056564	LMBMGMGNDCYJLW-QFIPXVFZSA-N	428.492	4.844	50	40	IJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Cl)c2O)cc1	10058876	RWDIIVIALSODQG-DMBOVMDOSA-N	439.737	4.851	50	40	IJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408799836	LTMJTPNIDKKGMZ-VVBXCHJUSA-N	447.320	4.520	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1C#N	408814021	GTYAIIVEWUQRGE-DICXZTSXSA-N	425.444	4.656	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408885959	BWMZQCSYUZJGQS-CPNJWEJPSA-N	427.416	4.668	50	40	IJGB	
CCOC(=O)[C@H](C)SC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	13175741	YGNZKCPTTZUEHN-HTAPYJJXSA-N	447.560	4.706	50	40	IJGB	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H](CCC3(C)OCCO3)C=C(O[Si](C)(C)C(C)(C)C)C[C@H]12	195753806	WTFFTYNTJQXAIA-VCWCOCMLSA-N	436.665	4.968	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1OCc1ccccc1	9667607	QGHMBJKNOSPDJS-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1OC	9693254	SLPYVNHQOGSZDM-HXUWFJFHSA-N	449.576	4.930	50	40	IJGB	
CCN(CC)/C(=C(/C#N)C(=O)COC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1	12542231	KFTGMODCLAVDGG-GYHWCHFESA-N	438.543	4.731	50	40	IJGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1	13125952	XTUJQCIUGVRAIF-UHFFFAOYSA-N	438.911	4.781	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1	59425697	VTYOYTDEWGWKQK-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
N#C/C(=C/c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc(Br)cc1	408758770	QWZVHMAKYFPRJB-QINSGFPZSA-N	437.249	4.807	50	40	IJGB	
CC(=O)Oc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	408764123	WETBCUBDGFQMRN-JVWAILMASA-N	438.568	4.995	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408850963	HCQGXQWMVXZWCP-UUYOSTAYSA-N	429.270	4.533	50	40	IJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@H](NC(=O)OCC)c1ccccc1	408978062	GVEZWNJYTSHZBE-UBCTUXONSA-N	447.535	4.956	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@@H]1c1cccs1	409145404	HZHFOTATWDTDPC-JTQLQIEISA-N	438.361	4.765	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2cncc(Br)c2)c2ccccc2n1Cc1ccccc1	1234858	CWKSBEZHWAVYGM-VULFUBBASA-N	447.336	4.919	50	40	IJGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	2158045	YSOPTHGVPUUTJL-FOWTUZBSSA-N	428.473	4.851	50	40	IJGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)c1	9411245	GMHKOEAOPCPRAL-JOCHJYFZSA-N	444.491	4.544	50	40	IJGB	
CCOc1cc2c(cc1/C=C(\C#N)c1nc3sc4c(c3c(=O)[nH]1)CCCC4)O[C@H](C)C2	9963417	GHNQQZAEMQCILC-BPKVKKHESA-N	433.533	4.650	50	40	IJGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1	13055567	DMANPNININSWMG-JOCHJYFZSA-N	447.560	4.951	50	40	IJGB	
N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1	20238287	LCVGJNIKFGEUMF-QGZVFWFLSA-N	432.387	4.797	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1C	58914525	GUKDOQRGIXURDM-MYKKPKGFSA-N	430.291	4.959	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1	59101442	QRHZJQIQSXCJIX-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Br)cc1	59334757	AHRHPGNXHSHBJJ-UYRXBGFRSA-N	425.326	4.752	50	40	IJGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408841248	DUATVBPBGVZNPC-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)C2=C1CCCC2=O	409140210	GHTWMNWPAJDGPU-JOCHJYFZSA-N	437.902	4.788	50	40	IJGB	
COc1cc(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)c1O	4150703	QWPCVIIQNYWNPY-FOKLQQMPSA-N	447.716	4.663	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc4ccccc34)=C2C#N)cc1	9331544	GPEFDIXXKNRRRA-FQEVSTJZSA-N	427.529	4.859	50	40	IJGB	
CCc1sc(-c2nnc(CSC(=O)NNC(=O)c3ccc(Cl)cc3)o2)cc1C	32924303	DZELWGXKAALGIS-UHFFFAOYSA-N	436.946	4.610	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1OCc1ccccc1	59445034	NFRCIZQNTGDOFZ-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1	408708994	WCTRJVXYOWETSD-GIBNKNSKSA-N	426.948	4.537	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	408879101	FLQQGAGAMIATBG-XDHOZWIPSA-N	429.432	4.728	50	40	IJGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409228070	ZUDVBAUBSWYWIF-PDGQHHTCSA-N	443.341	4.512	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1cccc(Cl)c1	3174588	NXXMBBDGUCEPJC-AEOXGOBCSA-N	439.737	4.809	50	40	IJGB	
C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccc(Br)cc1	15133731	RSBBHDQVPXEMGA-BHGWPJFGSA-N	442.235	4.602	50	40	IJGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3OC)o2)c1	34828825	IBPYTASDLRTKIF-JFLMPSFJSA-N	442.471	4.967	50	40	IJGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(Cl)cc1Cl	140674168	IKLRKLHLRPDBPZ-WJDWOHSUSA-N	440.330	4.871	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1	408725319	HEULZGMPQBAQBN-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1cccc(C)c1C	8983590	VDZZDHGYIIBBKD-MTDXEUNCSA-N	447.535	4.709	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)cc1	32520677	KWEZFFDNOHVYKE-AFUMVMLFSA-N	431.517	4.958	50	40	IJGB	
CCCCCCCCC(=O)N/N=C(\C)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1	97965595	BQAMLBYWWHGLSW-NZMNEZGZSA-N	441.572	4.883	50	40	IJGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12	108271790	DJZVQKGQAAXAHG-WGARJPEWSA-N	446.894	4.944	50	40	IJGB	
COc1cccc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)c1	408995218	LHYOBFKZGKZICS-WGARJPEWSA-N	432.549	4.679	50	40	IJGB	
Cc1ccccc1OCCCn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21	409198967	GKOPTUTWCCKNJC-BTZCDPCDSA-N	443.547	4.621	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccc(O)cc1	409247700	AQMISWXJYOWTLQ-GHRIWEEISA-N	447.878	4.609	50	40	IJGB	
O=C(N/N=C/c1ccc2ccccc2c1)c1ccn(Cc2ccc(Br)cc2)n1	1091940	FRPUKDSEPMWRAS-ZVHZXABRSA-N	433.309	4.611	50	40	IJGB	
Cc1c(/C=N/NC(=O)CNc2ccccc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1	3175018	JSKCPMQETRCVHW-RWPZCVJISA-N	444.922	4.694	50	40	IJGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccccn2)c1Cl	408821168	DCDNKTIWJDZHJU-BHGWPJFGSA-N	447.278	4.666	50	40	IJGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(C)c1	409045130	HUPRRIVRVUHKTK-UYRXBGFRSA-N	438.487	4.962	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(Sc2ncccn2)o1)C(=O)Nc1ccccc1	409095128	BNBMIZWWQYKSAM-FMIVXFBMSA-N	427.283	4.529	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccc(Cl)cc1	409265831	VZAYNQIKBNEVTO-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
C=CCc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1O	1096958	FCKVRWQETYXJLZ-FSJBWODESA-N	443.297	4.792	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cncc(Br)c1	1234860	NYFPJTUGPOJGFQ-BRJLIKDPSA-N	433.309	4.611	50	40	IJGB	
COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(C(=O)OC)c1	9076530	FPFNZJPZKOCJBO-UNOMPAQXSA-N	447.516	4.977	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1ccc([N+](=O)[O-])o1	987227	FBQTWFGLCYHBEF-IBGZPJMESA-N	431.452	4.844	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)cc1[N+](=O)[O-]	409301065	CSNBGSLWADEUFV-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	881093	NXJBRCCXXUIFGJ-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1	2078364	AKTYGSKGHXKEER-VULFUBBASA-N	438.911	4.765	50	40	IJGB	
CCCCN1C(=O)/C(=N/NC(=O)COc2cccc3ccccc23)c2cc(Cl)ccc21	8767044	RDFKUAWRKJYZTF-SLEBQGDGSA-N	435.911	4.539	50	40	IJGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1	9562834	MUVVYCVFUGOXKJ-GZTJUZNOSA-N	433.493	4.642	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(Cl)c1	9934438	YJOGXDROVBRGCE-WSDLNYQXSA-N	440.799	4.713	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1C	28216129	JCTQTTBZWOPAQJ-ZMOGYAJESA-N	436.537	4.694	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1ccc(I)cc1	33540807	RIRVPQRAKHAEOH-JAIQZWGSSA-N	449.317	4.524	50	40	IJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	59334006	HNLGEFQSBSCDCW-AUWJEWJLSA-N	437.696	4.816	50	40	IJGB	
COc1ccc(/C(C#N)=C/c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1OC	408583930	YVFQWYLZFGGUDF-DEDYPNTBSA-N	435.501	4.844	50	40	IJGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)o2)c1	408744841	HSRMOMYNFAWITC-PTNGSMBKSA-N	436.851	4.941	50	40	IJGB	
COc1ccc(NC(=O)COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2)cc1	408758892	UCAMQSRQDKENPD-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1	673613	YAFKXLPDZNMZJI-QHCPKHFHSA-N	448.494	4.864	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1COc1ccc(F)cc1	1107247	YXJGZRDSYLTMJO-QHCPKHFHSA-N	448.494	4.864	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3O)c2C)cc1Br	14134754	VXZGICPFOVRBIY-FSJBWODESA-N	426.314	4.635	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1	59676773	AOPVCDQWSMDODF-PLRJNAJWSA-N	438.575	4.912	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3)o2)c(Br)c1	409169475	PYPWTMSEIBWFJO-LUILSVGHSA-N	427.298	4.935	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Cl)c(C)c1	409263494	MZOBFTQNYJGWBX-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)cc1OC	409303098	LLEAONUJKRGWCV-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
CC(C)OP(=O)(OC(C)C)C(=O)NN(C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	13739122	GGZRKOJHZWPXQB-UHFFFAOYSA-N	449.400	4.909	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)Nc1ccccc1Cl	28215412	FFUVBUCPQRYLLW-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(Br)cc1	59245202	RJBSSBYWDFGDSW-GZTJUZNOSA-N	441.325	4.612	50	40	IJGB	
C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1CCCO	196072224	JXVLJWBTAZZVKK-OZXSUGGESA-N	438.684	4.829	50	40	IJGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc12	408568959	LPCODIPPGFUISM-ZVHZXABRSA-N	438.574	4.856	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c2C)cc1	408804904	CDVHRUCNLIWSKB-HPIUCDOKSA-N	433.552	4.873	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br	409247395	BYXIWJIANFQWHR-RGEXLXHISA-N	425.326	4.670	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3F)cc2)c1	409374959	CEIKCHKMOFOCBX-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
O=C(CNC1CCCCC1)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	409380798	IINPPSIMWREJOC-LGJNPRDNSA-N	434.367	4.945	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	2327504	DTMZYJLCAOBRNF-QVTSOHHYSA-N	448.526	4.627	50	40	IJGB	
Cc1cc(/C=N/NC(=O)S(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(F)cc1	32115629	RHFPWOIWYPGZKF-CVKSISIWSA-N	449.507	4.904	50	40	IJGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1	59473279	PALLEBYCTJTFRO-CVKSISIWSA-N	434.561	4.966	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1	102667581	OBZVFZVXSSJHEK-NHDPSOOVSA-N	448.482	4.972	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	107934738	MNGDRPSGSQUPHD-CFRMEGHHSA-N	436.537	4.888	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(OC)c1	408882409	MYWITORGXLDVOS-UDWIEESQSA-N	449.938	4.988	50	40	IJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1	3661206	OKSHEWWARWRXOZ-OGLMXYFKSA-N	437.499	4.816	50	40	IJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1cccnc1	13582026	QSDITAUFPWORBL-YUMHPJSZSA-N	449.967	4.766	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)Cn1cnc2ccccc21	408691575	FRLMPYHZSQIHIG-XGICHPGQSA-N	433.103	4.874	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cccc(F)c1	716153	GNOFTERQCAPNQV-QHCPKHFHSA-N	448.494	4.864	50	40	IJGB	
CN(C)c1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1Br	3081507	TXBLVIYCBFPYND-CIAFOILYSA-N	440.794	4.801	50	40	IJGB	
Cc1ccsc1/C=C(\C#N)S(=O)(=O)c1cc(Br)ccc1Br	3308730	UVMWFXZNYLHDHI-YRNVUSSQSA-N	447.173	4.920	50	40	IJGB	
C/C(=N\NC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccc(-n2ccnc2)cc1	20158148	QORSTDJJAAQELQ-WYMPLXKRSA-N	437.714	4.752	50	40	IJGB	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccco1)c1ccc(Cl)cc1	408717995	ZIXZTMNBEKTBPH-SSDVNMTOSA-N	447.672	4.679	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccs2)nnc1-c1ccc(C(C)(C)C)cc1	1299398	UBHRETLNAWJGIU-HZHRSRAPSA-N	441.626	4.957	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc(-c2ccccc2)n[nH]1	67197103	ZMYAZHPIUDRMSH-FSJBWODESA-N	435.827	4.662	50	40	IJGB	
CC[C@@H]1CCCCN1CC(=O)/C(C#N)=C1/NC(c2ccc(Br)cc2)=CS1	97819740	ZBWVVYZDMFSRIM-SBCIHWNMSA-N	432.387	4.653	50	40	IJGB	
N#C/C(=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1	102587622	LWVLBVLUZHHVGC-ZNTNEXAZSA-O	433.471	4.775	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C(=O)O)cc1	408743082	DMHHVDIVLLDYOF-BKUYFWCQSA-N	442.471	4.827	50	40	IJGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408794606	JPLINMIENSIPQL-LDADJPATSA-N	444.403	4.628	50	40	IJGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1	409186742	HHYCKRBSUDPVDS-QRVIBDJDSA-N	429.929	4.679	50	40	IJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	711941	IWYRBPSBZVTNJS-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
COc1ccc(CNc2ccc(C(=O)N/N=C/c3cn(C(C)=O)c4ccccc34)cc2)cc1	4108409	DUGVKQZZKBYRGY-LQKURTRISA-N	440.503	4.686	50	40	IJGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)CCC(=O)O)cc1	19639427	YKDHUSKHPYRKIJ-WYMPLXKRSA-N	443.912	4.512	50	40	IJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc21	208204543	KQZWEMTUZMFVEU-MMTYYTLLSA-N	444.373	4.700	50	40	IJGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408570710	XSNBRBTVQXKCFW-BUVRLJJBSA-N	437.590	4.793	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1	408737729	FYVSFBLOFYJFES-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(Br)cc1	408967921	SURDBGPAVRTGNB-ROTLSHHCSA-N	439.288	4.631	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccccc1F	408968622	XZBIZDPUICZYNN-CCVNUDIWSA-N	435.430	4.578	50	40	IJGB	
CCOc1cc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OC	409333502	PTCRGHVEEIPWMW-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1OCC	409394070	VELXBHIFXZTOBD-SXGWCWSVSA-N	447.247	4.905	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1	2344158	RWGRMEGCFBFEMA-FOKLQQMPSA-N	448.379	4.823	50	40	IJGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccc(C(=O)O)cc1	2797275	VOGDKLMWGQWLPS-XDHOZWIPSA-N	437.455	4.991	50	40	IJGB	
CCc1ccc(OCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1	8384738	GSIAQDUYXCNQOF-OGLMXYFKSA-N	438.531	4.939	50	40	IJGB	
COC(=O)c1c(NC(=O)c2cc(=O)c3cc(C)c(C)cc3o2)sc(/C(C)=C/C#N)c1C	8869513	YQTFNTHFXHWHHD-IZZDOVSWSA-N	436.489	4.746	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)C(=O)Nc1ccc(O)cc1	9434638	JJDXAKAKOVOLIH-WOJGMQOQSA-N	448.862	4.868	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccccc1F	9693132	OSYSOGDHBXTPOV-MRXNPFEDSA-N	444.329	4.808	50	40	IJGB	
CCOc1cc(C)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1C(C)C	408851378	YGZQUSHMEAUJNI-MTDXEUNCSA-N	430.548	4.903	50	40	IJGB	
COc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c(Cl)nc2c1	872624	KZXMRVBOMXGJQZ-OAQYLSRUSA-N	443.894	4.609	50	40	IJGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Br)s1	2134262	AMHFVBGLEZYQQH-UFWORHAWSA-N	449.157	4.686	50	40	IJGB	
CCCCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OC	5918663	QJXASNXCRFRUQE-HXUWFJFHSA-N	434.471	4.621	50	40	IJGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(-c2ccc(F)cc2)o1	12360117	QDPFUBLPEMRSGD-RWPZCVJISA-N	439.446	4.704	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)cc(Br)c1O	59474973	NSVBQLDROOOJOI-SDQBBNPISA-N	436.103	4.771	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)c1	408757040	ZGYLDCPLRJOHBT-HMMYKYKNSA-N	442.471	4.859	50	40	IJGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccccc1OCc1ccc(Cl)cc1	409022238	KKYDXUZZXOEQTH-MBTHVWNTSA-N	445.906	4.996	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2)cc1	409218800	KYNAZJVEBCGZFQ-UYRXBGFRSA-N	429.451	4.697	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3nc4ccccc4[nH]3)cc2)cc1	32519934	VJYPPJMLVIEQCI-AFUMVMLFSA-N	430.533	4.693	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccccc3C)o2)cc1	58915554	ZTXWYYUAFAMLKW-AFUMVMLFSA-N	436.533	4.815	50	40	IJGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	83299706	YKXJBCWILSWWPQ-RLWVUDJFSA-N	437.515	4.596	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1ccc(Cl)cc1Cl	107566226	KHZJAGMMRWRXRB-WYMPLXKRSA-N	428.275	4.715	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1I	408820138	UDVFEYAZNUMQCH-UVTDQMKNSA-N	448.235	4.541	50	40	IJGB	
COc1ccccc1NC(=O)/C(C#N)=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21	409388333	LNZHCRJROPQXQN-PTGBLXJZSA-N	443.890	4.811	50	40	IJGB	
Cc1ccc(S(=O)(=O)N2c3ccccc3-c3ccccc3C(=O)[C@H]2Br)cc1	1691748	IJGWIJVDRKNPSK-NRFANRHFSA-N	442.334	4.775	50	40	IJGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)c1	6239659	SRHNCLUWPLFDRG-MRXNPFEDSA-N	443.290	4.619	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1cccc(O)c1	9308774	NHWZPVTWKMAVSV-QFIPXVFZSA-N	436.471	4.579	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OCc1ccccc1	12859678	DKWPFSXPIUIZHO-JVWAILMASA-N	432.520	4.810	50	40	IJGB	
O=C(CSCc1ccccc1Br)N/N=C/c1c(O)ccc2ccccc12	16525797	NELXFVOLZHBYHM-SSDVNMTOSA-N	429.339	4.691	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1	33644400	JLHNQVRDRDAFND-RWPZCVJISA-N	442.494	4.859	50	40	IJGB	
COc1cc(C(=O)Cl)cc(I)c1OCc1ccc(Cl)cc1	226361321	RLYYPSOGKPRWRN-UHFFFAOYSA-N	437.060	4.911	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Br)c1OCC	408727364	FCRUAPUINDOMPJ-WSDLNYQXSA-N	439.737	4.593	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)C(=O)NCCCc1ccccc1	409238854	OAEYFVGZRJFKTK-ULJHMMPZSA-N	440.499	4.620	50	40	IJGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc([N+](=O)[O-])cc3)cs1)OCO2	2302840	ZDIXYMLJAGFZAB-NTEUORMPSA-N	434.433	4.626	50	40	IJGB	
CC[C@H](Oc1cccc(Br)c1)C(=O)N/N=C/c1ccc(N(CC)CC)cc1	2766144	KWXLXTCLQLFSRA-VRMLFSPKSA-N	432.362	4.603	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1ccc(F)cc1	9089269	GMRUCCDFXOMFTH-HXUWFJFHSA-N	431.492	4.689	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408776316	NPVUGKQIMFFSTQ-OYKKKHCWSA-N	438.531	4.976	50	40	IJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)cc1	408790739	YCOUJGDGCWZFPD-OVCLIPMQSA-N	433.291	4.653	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408795719	MKXTWRMZLBDZFN-MDWZMJQESA-N	437.795	4.752	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)o3)n2C2CCCCC2)cc1	1474012	RYXHTNFZVKJFFD-ZVHZXABRSA-N	437.569	4.903	50	40	IJGB	
O=C(Cc1ccccc1)NN[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1	3322045	NMELVJGIQUCEGE-OAQYLSRUSA-N	428.319	4.537	50	40	IJGB	
COc1cccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)c1	8836183	NURRBFUDZVPPBF-SDNWHVSQSA-N	446.444	4.810	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c(Cl)c1	9190559	YCGZOSWEBSILSJ-FBCYGCLPSA-N	446.526	4.643	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1	9362744	BBZZZPCDIXNOSM-QRVIBDJDSA-N	448.379	4.904	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)cc(Cl)c1	58912861	STSGMYYPOUGHEV-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
C[C@@]12CC[C@@H](C/C1=N\NC(=O)c1ccc(Br)cc1)[C@]2(C)CBr	245242039	XKZKNAXMUWJWPJ-XDZPUOFGSA-N	428.168	4.756	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)cc1	408745539	NONSBFAJNILSBH-XFXZXTDPSA-N	438.783	4.962	50	40	IJGB	
COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	408942806	LICCHJMMYUPZFT-MSXFZWOLSA-N	440.887	4.610	50	40	IJGB	
C=CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC	409196082	YVBOVGOMSPBWIH-WSDLNYQXSA-N	437.721	4.830	50	40	IJGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(SC)cc3)CC(=O)N2)cc1	409311604	BHIOVGBBFPAZGV-IBGZPJMESA-N	437.590	4.681	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1OC	409364654	OHGWJHLSKOINNH-CVKSISIWSA-N	438.911	4.629	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1ccccc1	13338302	VJIWILDEAXCIBP-DEDYPNTBSA-N	428.444	4.518	50	40	IJGB	
COc1ccc(OCCCOc2cccc(/C=N/NC(=O)c3cccc(Cl)c3)c2)cc1	13896186	IAELWSYADKJVEN-YZSQISJMSA-N	438.911	4.960	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccs1	19826096	BTYQIFUPQDYUOV-JJIBRWJFSA-N	447.589	4.937	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2ccc(C(C)(C)C)cc2)nnc1-c1ccc(C)cc1	30742649	SPUHQABZKMQNIK-MYYYXRDXSA-N	435.597	4.813	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	409247143	GLNIHLFRHLREPZ-OYADDEIPSA-N	427.504	4.665	50	40	IJGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	245226717	JGZLWBWLHFZSFN-MHXJAFHZSA-N	446.301	4.894	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(Br)c1OC(C)=O	408752356	HZHOLRRBWDTKBX-CXUHLZMHSA-N	443.297	4.627	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccccc1	409144088	NXHXOBSSYGUQFY-YADHBBJMSA-N	428.513	4.511	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OCC	409261774	BAQKBLVARLCSMK-WGOQTCKBSA-N	426.944	4.741	50	40	IJGB	
C[C@@H]1CCCCC1=NNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	13882126	NZBOFFGRBCITRH-CQSZACIVSA-N	428.330	4.997	50	40	IJGB	
O=C(N/N=C\c1cccc(O)c1)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1	30743048	WNSLOHRZLZDMOW-WGARJPEWSA-N	446.894	4.779	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OCc1ccccc1	38534965	RHGAKPCCAIARGY-HZHRSRAPSA-N	430.595	4.701	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c([N+](=O)[O-])cc1OCc1ccccc1	408813095	FBHFAQQUBFFOKV-WQRHYEAKSA-N	447.422	4.867	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)c(OC)c1	408878351	ABTCPKAKSPSDRM-FYJGNVAPSA-N	446.478	4.645	50	40	IJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408880244	GUGPNYJYZGXZRW-WUXMJOGZSA-N	436.103	4.766	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)CSc1nc2ccccc2s1	409234600	OAYZIBXFQLJQHI-UCQKPKSFSA-N	440.594	4.538	50	40	IJGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	855690	MGYDBONOFYUOLT-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
CCOc1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1	1741305	XRWUSUOKYGNNCY-JKSUJKDBSA-N	427.136	4.924	50	40	IJGB	
Cc1cc(C)c(C2=NON3c4ccccc4N(C(=O)[C@H](Br)C(C)C)N23)c(C)c1	11027010	LPZMDEDBUHFNIS-LJQANCHMSA-N	443.345	4.623	50	40	IJGB	
COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N	20533313	MCLRRUPMMZSOHP-IBGZPJMESA-N	431.517	4.656	50	40	IJGB	aggregator
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccccc2Cl)cc1OC	33400029	BIZHMTWSVOCBOD-DOQYOOLYSA-N	425.312	4.708	50	40	IJGB	
C[C@@H](CC(=O)NNC(=O)c1cccc(F)c1)CC(=O)NC1CCCCCCCCCCC1	199426004	OXFMCSXUZAZGNS-LJQANCHMSA-N	447.595	4.793	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC)c(C#N)c1C	408546373	INRMTCRHZLVGMI-OVCLIPMQSA-N	442.924	4.876	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)ccc1OC1CCCC1	8748665	XOHZERWKOVRVKR-OAQYLSRUSA-N	446.528	4.810	50	40	IJGB	
Cc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N	9693128	ZRXHCJMXCNTPRO-GOSISDBHSA-N	440.366	4.977	50	40	IJGB	
C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1cccc(NC(=O)C2CC2)c1	17095655	VCXQPRHMIYUWPC-QQXSKIMKSA-N	427.932	4.696	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	59473429	KEQWXTOXMWQJDZ-JZOCJUILSA-N	427.751	4.742	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C)c1Cl	67192507	WRJPLBAHMCMMPB-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1cc2cc([N+](=O)[O-])ccc2s1	106085343	WIYCZWGSZMHHPN-ZVBGSRNCSA-N	443.282	4.817	50	40	IJGB	
CCc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OC)c1Nc1ccccc1C	408708419	PYZSIGLCHCMGJJ-JVWAILMASA-N	444.535	4.707	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2)cc1	408937734	OJKCWLRWICDKLU-STZFKDTASA-N	446.528	4.925	50	40	IJGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCC)c2ccccc12)c1ccccc1	408982328	XOYJCDRMCMVZEU-XBIXJXDHSA-N	433.508	4.566	50	40	IJGB	
O=C(N/N=C/c1ccc(Br)s1)c1cc2cc(Br)ccc2o1	693870	QCBMVOXAOLZJEG-REZTVBANSA-N	428.105	4.783	50	40	IJGB	
O=C(C[P@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1)N1CCCCC1	2770389	MWBQGQIJCOEUAM-HKBQPEDESA-N	433.488	4.592	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1cc(C)cc(C)c1	9553565	TUYMQRKNRSGQHV-MTDXEUNCSA-N	447.535	4.709	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)c(OCC)c2)cc1	20764802	QZRHOVFVTSTERC-OGLMXYFKSA-N	443.503	4.699	50	40	IJGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1C=NNC(=O)c1ccc2c(c1)COC2	409125592	CZTRAPVNWKQOPF-XYKMZFBVSA-N	446.890	4.753	50	40	IJGB	
O=C(c1ccc(Br)cc1C(F)(F)F)[C@@H](Br)CBr	575362506	RLBASLFXJPUSKU-QMMMGPOBSA-N	438.863	4.809	50	40	IJGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(OCC)cc3)o2)ccc1Cl	20764030	VDZSEOVWEMSBRR-AFUMVMLFSA-N	440.883	4.939	50	40	IJGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	24037496	KKMBOPTVJLOXAX-SRZZPIQSSA-N	438.490	4.707	50	40	IJGB	
Cc1occc1C(=O)N/N=C1/C(=O)N(C(c2ccccc2)c2ccccc2)c2ccccc21	102455833	PILGPYJNFZKVLM-ZZIIXHQDSA-N	435.483	4.858	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccccc1Br	409014952	QXXXZYPTOIQCLH-CIAFOILYSA-N	447.130	4.766	50	40	IJGB	
CC(C)C[C@@H](NC(=O)c1ccc(F)cc1)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409162953	JXSSVNUCPJYMJP-QESWDSMOSA-N	436.531	4.656	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccccc1C(F)(F)F	409166960	HEGPJEXJVVQSPG-BRJLIKDPSA-N	425.838	4.926	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)o1	1889292	CBAMQCCWKSCQQX-UFWORHAWSA-N	438.987	4.628	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(Cl)ccc1OC(C)C	8812834	HHJKAVYBKALIBR-UFFVCSGVSA-N	425.710	4.662	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1cccc(F)c1	9693385	JFSFLWKLZGSSND-KRWDZBQOSA-N	444.329	4.808	50	40	IJGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1	10387033	WWBYVYODHHWLLN-UHFFFAOYSA-N	433.686	4.533	50	40	IJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(I)c2)cc1	408752595	FDOWLOCFZRYWNB-FOWTUZBSSA-N	445.304	4.683	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408859310	VKPZNXSMCJJIBQ-JJFYIABZSA-N	431.673	4.625	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2Cl)cc1	409262614	IGRVSIAMZFBFQU-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	3116306	MKNCCLCDTIPWNA-OGLMXYFKSA-N	426.447	4.891	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C	8812757	DYMGZWLUWLMVCY-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)C(O)(c1ccccc1)c1ccccc1	9434453	DUOULYOFHDJYNL-WPWMEQJKSA-N	430.891	4.986	50	40	IJGB	
CN(c1ccccc1)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-]	15979699	RSOJREVOIYBAPX-LTGZKZEYSA-N	426.476	4.629	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408787653	DEBRTEKKLRUJPL-GZTJUZNOSA-N	439.309	4.714	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1C#N	408800847	RKZQXQIAAUPJDZ-DQHOQNCISA-N	429.520	4.748	50	40	IJGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O	408806136	AMIIZLBVODPKAT-RJIXSYNGSA-N	442.151	4.519	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)c1	408946548	YWIRMYTUHBBONG-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(O)c(Br)c3)cc2c1	409185419	YTUAALBOIYPMRO-NKVSQWTQSA-N	437.677	4.717	50	40	IJGB	
COc1ccc(OC)c(/C(C)=N\NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	575444394	IJKXSVGVRWDMHG-KALUYTGESA-N	434.336	4.895	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Br)cc1	3174949	OAURNZRTDPRDOH-RGVLZGJSSA-N	440.135	4.764	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)c(C)n1-c1cccc(Cl)c1	12555937	UMFCSOPIKGFSHM-CXUHLZMHSA-N	436.855	4.907	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1Br	20244008	GHUZWMRKZIMEFN-UFFVCSGVSA-N	446.128	4.684	50	40	IJGB	
CC(=O)N(/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1c(F)c(F)c(F)c(F)c1F	59639136	YJQFINAJPPDKAY-QFSHWATDSA-N	442.127	4.984	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59678966	VBZSSTJBAGVIFO-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1	408609242	QOVHFQXATIKOPZ-LJQANCHMSA-N	449.938	4.724	50	40	IJGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)Nc1ccccc1	409084400	BMWGITQFVBDAHK-WJDWOHSUSA-N	430.376	4.841	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	409204078	ANPXRDQOZRLIKZ-KZJCWCHPSA-N	441.560	4.664	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1	409206411	OATQTJPNVJWTKQ-OEAKJJBVSA-N	436.515	4.730	50	40	IJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cc(Br)ccc1OCc1ccccc1	409230813	FWCWVCZQFMICLC-QFEZKATASA-N	441.300	4.860	50	40	IJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)cc1	10059565	UZGFYWKMTYCQFK-IPISDEMTSA-N	430.504	4.948	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1	107812769	JRUOQAOLPHKZGY-BRJLIKDPSA-N	429.879	4.668	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)c1	408745985	PTZCQDDRFDONJJ-PTNGSMBKSA-N	433.420	4.808	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408756482	SGHHOCIACOGQQB-DHRITJCHSA-N	445.435	4.547	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC	409196329	ZASZOHRVJSMHJI-WSDLNYQXSA-N	437.721	4.830	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Nc1ccc2ccccc2c1	1092191	BBCAYZJNSDZIMJ-WQEJZQBCSA-N	426.314	4.562	50	40	IJGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1	1889077	WJVVHEGFWMXKEO-CKVBZJJFSA-N	443.503	4.891	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2C#N)c1	8811106	ZNTCCHMSVZWWAC-MZJWZYIUSA-N	449.894	4.572	50	40	IJGB	
COc1cccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1	9693345	VAVGOLLRMQVHSI-GOSISDBHSA-N	425.941	4.877	50	40	IJGB	
CCCCCOc1cc(OC)ccc1[C@H]1C(C#N)=C(N)Oc2oc3ccccc3c(=O)c21	12419841	DSWHGGBLIDVYIA-NRFANRHFSA-N	432.476	4.589	50	40	IJGB	
Cc1ccc(C[C@@H]2S/C(=C(/C#N)C(=O)N3CCC(C)CC3)N(c3ccccc3)C2=O)cc1	13595971	HTQCWUCIEFHFOG-YDYXIROLSA-N	445.588	4.680	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Br)c1OC	210428732	JUMVUXNYZGUZIF-XGHPXPSOSA-N	429.314	4.641	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(N3CCOCC3)cc2)c1C	408791276	YCYZJLNIBWXVNY-QJOMJCCJSA-N	440.547	4.785	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	409232799	QDFGXIOZIVJDDP-LORYXUCWSA-N	439.515	4.797	50	40	IJGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC	657692	OFUMESWCBWPTEK-DNTJNYDQSA-N	432.101	4.537	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3cc(C)c(C)cc3nc2Cl)C(C#N)=C(N)O1	899588	WJWHDECTYOOIAH-IBGZPJMESA-N	425.916	4.928	50	40	IJGB	
O=C(OC[C@@H]1O[C@@H](Cl)C[C@@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	5052589	QEHCZULNFYDPPL-YESZJQIVSA-N	429.683	4.730	50	40	IJGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1OC	9292964	CFZVBFBLNOCACA-NRFANRHFSA-N	430.508	4.826	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1	10315733	SIGVSDRXTMZBKK-CVKSISIWSA-N	439.943	4.848	50	40	IJGB	
Cc1ccc2c(c1)c1c3n2CCN(CC(=O)N/N=C/c2ccc(C(C)C)cc2)[C@H]3CCC1	57061354	IPXMQNGZHBPDEF-SXFMOBQTSA-N	428.580	4.916	50	40	IJGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Br)cc2)cc1	58871410	UGDIOPHUGUEBJT-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1OC	100843726	OLPBSTOOGDNZID-JLHYYAGUSA-N	426.429	4.851	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Br	108938235	AJCSTSWTNTWYOA-KEBDBYFISA-N	448.298	4.735	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1)C(=O)Nc1ccccc1F	408708347	PHBMOLYLGYZHKQ-BRJLIKDPSA-N	445.281	4.965	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)cc2)cc1	408762652	LRBJDAJXYIFEHH-AFUMVMLFSA-N	445.500	4.598	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Br)cc1OCC#N	408787723	FJQMKUXEWQUDEP-MHWRWJLKSA-N	440.297	4.604	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCC(=O)O	408985320	WMJSBBKGBSPDKB-VGOFMYFVSA-N	449.290	4.710	50	40	IJGB	
Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1sc2ccccc2c1Cl	8664840	XJOYZTDWEBEIOX-UHFFFAOYSA-N	448.729	4.712	50	40	IJGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	16606254	JGZLWBWLHFZSFN-MJGLRYBLSA-N	446.301	4.894	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc(C)c1Cl	30937420	PLZQXVRKGWTZDN-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)n2)cc1OC	36166284	BOVIZPBOZWYLIO-MKMNVTDBSA-N	439.449	4.514	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1	408806209	MEBMUXDRBOFEEJ-NGIIGVMLSA-N	439.515	4.797	50	40	IJGB	
Cc1sc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)c(C#N)c1C	408996126	LAWIUGTZCWRCHJ-OPEKNORGSA-N	440.956	4.827	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1O[C@@H](C)CC	409195435	ULLTUHSATQKDRO-FBKCMUNRSA-N	435.362	4.991	50	40	IJGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1)Nc1ccc(Cl)cc1	409259511	ZYVVFRDGXINCMY-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	18192114	UWVNITWAZNPSFG-LGJNPRDNSA-N	442.302	4.775	50	40	IJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1ccc(Br)cc1	20238296	ANRYYGWTHWHJNO-SFHVURJKSA-N	440.366	4.664	50	40	IJGB	
O=C(CN(Cc1ccccc1)Cc1ccccc1)N/N=C/c1cc(Cl)cc(Cl)c1O	38182665	RMCIQZDBPGZZDM-LGJNPRDNSA-N	442.346	4.852	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)c1	408527439	FSNRMRNZJHTNMD-XODNFHPESA-N	428.458	4.984	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccc(C)cc1	1302949	BTQWUBIPBUBMHX-MFKUBSTISA-N	429.549	4.669	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccccc2Cl)c1	2071587	IRCSDGUXJWYIIA-DHRITJCHSA-N	443.286	4.742	50	40	IJGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(I)c1O	408599579	WSDVQNDIZZIPCF-IZZDOVSWSA-N	449.273	4.538	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2N)ccc1OCc1cccc2ccccc12	408724337	BRLZWXLOVWSWIG-LQKURTRISA-N	425.488	4.774	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1	408744717	ZNLXJEZMNUWBBR-OGLMXYFKSA-N	439.515	4.727	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccccc2)c1	408796965	FHCYILMGQDDJBQ-XDHOZWIPSA-N	429.432	4.728	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1OC	408867607	KSCLNUHHWROGJO-WSDLNYQXSA-N	449.370	4.573	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c(OC)c1	408869316	QVQZZAGDVRWKJO-YDZHTSKRSA-N	443.547	4.952	50	40	IJGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1CC(=O)N(c2ccc(F)cc2)C1	409155596	QIVRIALFYNKMCV-HUZSXYRPSA-N	425.463	4.635	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1	8452846	LZUUIGWFNDMQRN-HNNXBMFYSA-N	445.466	4.724	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)c1ccccc1	13595413	GCMJWYRMDBLIMA-XHPQRKPJSA-N	441.560	4.875	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c1OC(C)C	17150242	UDGMQWCYKYQUBB-JJFYIABZSA-N	431.286	4.755	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OC(C)=O	408763802	UWNYBIQNGYNPER-CXUHLZMHSA-N	443.297	4.627	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	409001871	XFXMLIYHIBVHBB-YSMPRRRNSA-N	442.475	4.928	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Cl	409312882	OCIGWHIRUUUALA-CFRMEGHHSA-N	435.307	4.567	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1Cl	409325267	XKMYOPQOXOYZKZ-HNNXBMFYSA-N	429.885	4.529	50	40	IJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)[nH]c2c1	409391738	KZLBYWMAIARFJC-UNOMPAQXSA-N	425.444	4.913	50	40	IJGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(O)c(OC)c2)c2ccccc2n1	673218	YKHGELXHBXRFIF-JVWAILMASA-N	441.487	4.779	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1	2326994	FJWLBHRWRBWGAU-OAHLLOKOSA-N	429.904	4.707	50	40	IJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	3582434	DISMWXZYYXYYOT-XSFVSMFZSA-N	430.435	4.737	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Br	15018815	YWKZILGGRUUWSV-UUYOSTAYSA-N	441.285	4.529	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1cccc(C)c1	33860086	FGPFNQOZJZLKMO-QQXSKIMKSA-N	447.491	4.574	50	40	IJGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1OCC(=O)OC	408544264	UQDZBCHIMJBFKS-PXNMLYILSA-N	439.899	4.848	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)c(OC)c1	408728725	SAJAWPILXLCNQN-LGJNPRDNSA-N	435.911	4.641	50	40	IJGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccccc3C#N)c3ccccc23)SCCS1	409247784	BGFGELPNIGDDJR-AFUMVMLFSA-N	434.590	4.598	50	40	IJGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1ccccc1C(=O)O	2793051	GIPYZZUSZPRSGP-LDADJPATSA-N	437.455	4.991	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccsc1	9487474	CVAXVTAFSMQGHK-OYHNWAKOSA-N	438.512	4.800	50	40	IJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCN(C(=O)c2cccs2)C1	32755235	KHDQSAWSAJMSLM-SNVBAGLBSA-N	432.760	4.704	50	40	IJGB	
O=C(N/N=C/c1ccc(N2CCCCC2)c(F)c1)c1cc2cc([N+](=O)[O-])ccc2s1	33719217	HXHXTXTXVOTJES-YDZHTSKRSA-N	426.473	4.703	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1cccc(F)c1	59334720	QVBNDLJPIZXQSO-SXGWCWSVSA-N	447.304	4.561	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3C)c2)c1	409256894	MRVJVOHLURFQKV-KGENOOAVSA-N	425.488	4.867	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c(C)c1	13174378	MTWRIXYIAGJFBJ-JOCHJYFZSA-N	433.533	4.697	50	40	IJGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cc(Cl)cc(Cl)c1O	20248999	XBSCQVSFZFLZHI-IFRROFPPSA-N	448.169	4.845	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(C)cc1	33341292	DBHAGGCRYIVDHR-ROTLSHHCSA-N	447.486	4.535	50	40	IJGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c1	2310468	FXTZSDBKDVXWES-JOCHJYFZSA-N	433.533	4.697	50	40	IJGB	
CCOc1cc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)ccc1O	2437957	ZCJBDEQKEOUWBR-KRWDZBQOSA-N	441.940	4.664	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)/C(=C/c1ccccc1)NC(=O)c1ccccc1	8456286	ABWWNTYHQDSKEH-IKCALLGASA-N	438.314	4.915	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cccc(O)c3)ccc21	14920987	HOVMDUTVSUNZJG-JVWAILMASA-N	428.492	4.655	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1cc(Cl)ccc1Cl	28217073	VHNNIQJXZOUVQI-YIQTUUEOSA-N	444.318	4.691	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccccc1Br	408692103	DMXFNJFLCFPDSH-BRJLIKDPSA-N	443.320	4.558	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccc(C)cc3)c2)cc1	408759986	PNJPVCXZQVNMJR-ZHZULCJRSA-N	432.501	4.617	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408799522	ZJKASRGXEAUUHA-LICLKQGHSA-N	442.899	4.535	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409360154	LVIJLJZXKOISRE-QQXSKIMKSA-N	447.491	4.574	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1	1106778	KJXHOJNLOJEGPZ-BHGWPJFGSA-N	433.342	4.646	50	40	IJGB	
N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	2276190	NXDLKDKVJIYQQX-RAXLEYEMSA-N	434.408	4.940	50	40	IJGB	
CCOc1c(Br)cc2ccccc2c1/C=N/NC(=O)CNc1ccc(C)cc1	3193554	CCDFVKINHZHTTF-DHRITJCHSA-N	440.341	4.872	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccc(Br)cc2)c2ccccc12)c1ccncc1	9259070	SMAPAICXRJXCFB-DHRITJCHSA-N	433.309	4.611	50	40	IJGB	
O=C(CSCc1ccccc1Cl)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	14186249	XVHZHEJIPIXTFU-SLEBQGDGSA-N	449.963	4.641	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(Br)cc(Cl)c1O	106069276	PZJCXJGIMAISLZ-YVNNLAQVSA-N	433.689	4.734	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1NC(=O)c1ccccc1	409211268	NGAJFWMBSLTFHY-WYMPLXKRSA-N	429.307	4.560	50	40	IJGB	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cc2ccccc2nc1Cl	1051246	GSQGATDENPJWOA-IBGZPJMESA-N	431.879	4.670	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccc(C(C)(C)C)cc1	1107286	LFSKNPYNHMFCLZ-HSZRJFAPSA-N	444.535	4.821	50	40	IJGB	
O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)Nc1cccc(C(F)(F)F)c1	2504519	KDUWKHLCKYKBSB-UHFFFAOYSA-N	429.398	4.751	50	40	IJGB	
O=C(N/N=C/c1ccc(OCCOc2ccc(Br)cc2)cc1)c1ccccc1	8874761	YJLHHTCQALGQRX-LFVJCYFKSA-N	439.309	4.671	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCCCOc1cc(C)cc(C)c1	13892865	VEBKNTRMNSHBOX-ZVHZXABRSA-N	434.920	4.893	50	40	IJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1Br	408799975	MGAMQDPAVRYUNM-BFERYNQYSA-N	443.341	4.858	50	40	IJGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	1102193	DFBHVNAQXZWJPK-OAQYLSRUSA-N	442.910	4.546	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)c1	2293062	IWMJFDFRVMQHEX-RWPZCVJISA-N	426.520	4.788	50	40	IJGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)C(=O)NCc1ccco1	21189893	SKLUVPJASOBGRY-WOJGMQOQSA-N	437.293	4.844	50	40	IJGB	
NC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	59427661	BPWSTWGSQUAIME-WGOQTCKBSA-N	425.448	4.722	50	40	IJGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl	95947143	LJLJAMDBOMLTPI-UHFFFAOYSA-N	443.117	4.852	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(F)cc1	408675775	ASPJOPSNPSCAEZ-OGLMXYFKSA-N	447.510	4.777	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1	408692710	SPBMEQSIYMRXQF-BRJLIKDPSA-N	443.320	4.558	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408790931	ZKQIUJSYWJLTRY-GZTJUZNOSA-N	439.309	4.714	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408797958	UOPRIVWCRJHGAA-LFYBBSHMSA-N	439.682	4.744	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c([N+](=O)[O-])c1	408885449	ACRKVPREBCLCDJ-XDHOZWIPSA-N	430.464	4.865	50	40	IJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)c(OC)c3)[nH]c2c1	409390585	FNEDASXVZFGZKQ-DHDCSXOGSA-N	443.419	4.740	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@@H]1c1ccc(Cl)c(Cl)c1	1097772	HVTSHISZZGUPRG-OAHLLOKOSA-N	428.235	4.510	50	40	IJGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccccc2)cc1	1308650	ZIMLZEIYEFSPOS-ZVHZXABRSA-N	447.589	4.855	50	40	IJGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1Br	4063888	LHRYKDRPKISWHW-UFFVCSGVSA-N	440.794	4.552	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1Oc1nc(Cl)ncc1F	8691127	YQYYIJSXCBGEJU-DHDCSXOGSA-N	438.846	4.924	50	40	IJGB	
COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C(=O)OC)c1	9015885	SGYHVUMAKLQVMR-PDGQHHTCSA-N	433.489	4.668	50	40	IJGB	
Cc1ccc(/C=N\NC(=O)CSc2nnc(SCc3ccccc3Cl)s2)o1	13941027	CBAMQCCWKSCQQX-UWVJOHFNSA-N	438.987	4.628	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1C	15226954	RALDFEOZBNDJEG-BWAHOGKJSA-N	438.575	4.967	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccc(C)cc1	408675891	CDLYFCPROJANBM-MTDXEUNCSA-N	443.547	4.947	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)Cn2cnc3ccccc32)c1C	408691844	UCUDAMFEIAHOCM-WQRHYEAKSA-N	427.464	4.968	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCOCC2)ccc1OCc1cccc2ccccc12	408758520	LRMMDQVJHWQGOS-XQNSMLJCSA-N	442.515	4.583	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	408799410	YZDXICRGRXVMOB-OQLLNIDSSA-N	427.844	4.757	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408896544	RUMJOTQZWUEGCX-FMIVXFBMSA-N	438.783	4.962	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(Br)cc1OC	409232163	NJDQFWDCWASTKU-PDGQHHTCSA-N	443.341	4.512	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OC)c2)cc1OCC	409336218	QZUBGWQOJNYESE-MYYYXRDXSA-N	446.931	4.865	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccnc1	6474963	BYKNHVHAAZVMGN-WAIKUNEKSA-N	449.539	4.602	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1cccc(OCc3c(Cl)cccc3Cl)c1)C(C#N)=C(N)O2	9994908	OCNBSJGIOCZIJY-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc(OCC)c1O	59679547	RMJXLGXWWWELES-YBEGLDIGSA-N	427.298	4.828	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1	409133537	MDSDXHUIKZFRBH-DEOSSOPVSA-N	447.510	4.533	50	40	IJGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)o1	409195440	UNAQTADMECGKHE-RPPGKUMJSA-N	439.899	4.566	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(O)c1	4045948	WLZKFOZZUXLCKR-AUEPDCJTSA-N	444.746	4.728	50	40	IJGB	
CCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1OC	9308591	YFMIBZYPKBMSAI-QFIPXVFZSA-N	438.487	4.855	50	40	IJGB	
COc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	408551819	GHSDUTHFGDFAJU-DTQAZKPQSA-N	428.517	4.844	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1	408602411	DKZGYNFQZJIFNE-LJQANCHMSA-N	449.938	4.724	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1cccc(Br)c1	14923338	OOVRRUJKBNTWIY-LSHDLFTRSA-N	443.128	4.890	50	40	IJGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)o1	36611214	YHIBTXMKNTUKFG-UHFFFAOYSA-N	443.887	4.962	50	40	IJGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc(OC)c3)o2)ccc1Cl	409080927	OOIHVEYQDBQPTR-ZMOGYAJESA-N	426.856	4.549	50	40	IJGB	
N#C[C@H](C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1	409197854	QGKNFFZMKMJWIW-WGLQLPMYSA-N	448.320	4.786	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1	9311325	ZIFKNPHLASTXSB-FYJGNVAPSA-N	442.471	4.827	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1	12500181	WCEHLIJHZYMWGA-XDJHFCHBSA-N	444.512	4.935	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC1CCCC1	14178466	PNQYTLPBZAWVMM-FMIVXFBMSA-N	430.258	4.583	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2ccccc2Cl)cc1OC	33400025	BIZHMTWSVOCBOD-ICXMQADFSA-N	425.312	4.708	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1	58912806	QZUIYESVXDXKSL-JVWAILMASA-N	446.551	4.705	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1OC	409327139	QGINKUNAUTWMJZ-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1cccnc1	409372338	KRKZHNLEVLVPAX-BHGWPJFGSA-N	444.716	4.840	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/C=C/c2ccco2)nnc1-c1ccc(C(C)(C)C)cc1	1819822	YCOARULTPCXJPJ-NVMGMXFGSA-N	437.569	4.763	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1	58914563	ZCUGVINOKJHHEH-RMORIDSASA-N	436.682	4.996	50	40	IJGB	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1	96291368	KPNRWWDAKPBARV-LZYBPNLTSA-N	434.304	4.730	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc([N+](=O)[O-])c1	408847802	RYFZQWWPUDMDGS-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1	408963358	NMRXTOXOKIIKCU-BHGWPJFGSA-N	433.342	4.646	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc1OC	713345	XULUJEUATVEHMU-XMMPIXPASA-N	443.547	4.953	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1OC	2215678	UOVXWTMXUDIASH-IBGZPJMESA-N	435.549	4.540	50	40	IJGB	
C[C@H](CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1	9714608	HEUJVLVUIXNRBB-QGZVFWFLSA-N	444.560	4.810	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1	20760485	XYNDMGUDEBLVPU-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
CC1(C)CC(=O)C(C(c2ccc(CCCl)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	100682410	VJGDPBSZLOKGOT-UHFFFAOYSA-N	430.972	4.700	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1I	408541864	GGKYOTKNZJKVGX-YBEGLDIGSA-N	431.229	4.618	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1C	409238130	CHGFVOIMYYWDTR-OJSPLJLUSA-N	444.491	4.795	50	40	IJGB	
COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(F)cc1	409368012	PQMIQRXLWBKTLQ-HXUWFJFHSA-N	425.529	4.756	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@@H]1c1cccs1	9110197	HXHRLSIRSCKRQS-ZDUSSCGKSA-N	438.361	4.765	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	58914575	SQVXRVFSGYYHDR-RMORIDSASA-N	436.682	4.996	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C\c1cn(Cc2cccc(C)c2)c2ccccc12	96477015	MOTQOLMWSDIELZ-DICXZTSXSA-N	427.504	4.536	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc2c(c1)OCO2	408803856	AZNQAKXDTZKMBU-SQNQVYQRSA-N	448.519	4.605	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2cccc(F)c2)cc1	408890360	RUVATXYRMFKGQB-CPNJWEJPSA-N	432.451	4.968	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)c1	1195284	UNWGFIGHJFSCCV-RVDMUPIBSA-N	433.420	4.808	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCCOc2ccc(C)c(C)c2)c(OC)c1	8916099	VTKQNRMHSVGKMH-WOJGMQOQSA-N	429.900	4.893	50	40	IJGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c1C	20194810	QCGGXOAUQPIODP-JVWAILMASA-N	431.536	4.580	50	40	IJGB	
CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=C(/C#N)C(N)=O)cc1	23402389	NQFGKTNXMARPNN-VBKFSLOCSA-N	443.341	4.597	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)c1	33623672	FPZQSSZDCBLNPZ-WSDLNYQXSA-N	439.518	4.822	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC	209993526	FUWNYKDVHGUPRR-ZROIWOOFSA-N	433.277	4.931	50	40	IJGB	
C#CCOc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)cc1OC	408807654	DFEOTAVDXCNGCB-RIYZIHGNSA-N	445.700	4.669	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	408808723	FINAWCJXEZQDKG-MHWRWJLKSA-N	436.851	4.530	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3cccc([N+](=O)[O-])c3)cc2)cc1	408724857	BUGVAPYPDIFPAV-AFUMVMLFSA-N	449.532	4.866	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408793460	DZXXUWMRVJUEAT-LICLKQGHSA-N	442.899	4.535	50	40	IJGB	
Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)cc2[N+](=O)[O-])n1	409149351	CHXCTUAEZYWXRI-GZTJUZNOSA-N	437.525	4.509	50	40	IJGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	409315598	WDUPSMPQEFLSRO-SFHVURJKSA-N	439.968	4.921	50	40	IJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CSc1cc(C)nc2c(OC)cccc12	871158	HMNSARWYTYXIQC-VULFUBBASA-N	445.544	4.956	50	40	IJGB	
Cc1cccc(N(NC(=O)[C@](O)(c2ccccc2)c2cccs2)C(=O)c2ccccc2)c1	1412643	QCMJMOWFCODCMC-SANMLTNESA-N	442.540	4.671	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C	3067288	MMWSYBBWPNOSPO-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	9201054	AIZQHNONDAFOQW-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)o2)cc1Br	14407902	GKRHOHIVLFTDGF-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
C[C@]12CC[C@H](C/C1=N\NC(=O)c1ccc(Br)cc1)[C@@]2(C)CBr	16739591	XKZKNAXMUWJWPJ-XCMKZAQKSA-N	428.168	4.756	50	40	IJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	408737883	YXWWZEDGYYGMAA-LGJNPRDNSA-N	438.270	4.848	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cc(C)cc(C)c3)=C2C#N)cc1	409311421	FZWJQWGLSASFIA-LJQANCHMSA-N	437.590	4.736	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1OCC	409322076	WDHAIJSEEDJXPB-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
CCOC(=O)[C@@H](c1ccc(OC(C)C)cc1)N(C(=O)CCCl)c1ccccc1OC	2117719	IZXCYCXSXPAVTA-JOCHJYFZSA-N	433.932	4.749	50	40	IJGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NN(C)C(=S)Nc1ccccc1	2561625	HKYKUSMJVKNHGK-UHFFFAOYSA-N	435.336	4.930	50	40	IJGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)c1	6239665	DQAUZIMJGVJNNZ-INIZCTEOSA-N	443.290	4.619	50	40	IJGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1cccs1	9763136	OBCRSZDTZZXHAX-LSCVHKIXSA-N	441.028	4.788	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(CN(c3ccccc3)S(C)(=O)=O)cc2)cc1	27527997	VLXWIPXOYGPHAW-YZSQISJMSA-N	449.576	4.540	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc(C(F)(F)F)c3)o2)cc1	59565615	QMVQZLJWHMWNRE-MZJWZYIUSA-N	444.409	4.835	50	40	IJGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1	83261140	DZLBDHSWFAEMHK-YUMHPJSZSA-N	425.488	4.937	50	40	IJGB	
O=C(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1	104081066	YCDUHQABHXOPOQ-UHFFFAOYSA-N	427.440	4.504	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)c1	409265809	PICDVKOYDOOJBG-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)c1	409391986	MIQUAOSXMMZULQ-LQKURTRISA-N	441.487	4.839	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc(Br)c1OCC	32752106	WQUJULXBLWAPFK-OQLLNIDSSA-N	445.313	4.801	50	40	IJGB	
CCn1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c2ccccc21	408567332	CYJKKVRDOVFNDM-YDZHTSKRSA-N	425.579	4.669	50	40	IJGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C)nnc2-c2ccccc2)cc1	1788883	FQJYIRMWXNOFOU-WGOQTCKBSA-N	441.560	4.794	50	40	IJGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cn(C)nc3C)c3ccccc3n2)cc1	2109776	UJUYHIPJDNEXPU-JVWAILMASA-N	441.535	4.887	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C(C)(C)C)cc2)nnc1-c1ccc(C)cc1	2324157	SPUHQABZKMQNIK-MFKUBSTISA-N	435.597	4.813	50	40	IJGB	
COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1	9089287	OLYAXRQMBCPCPV-JVWAILMASA-N	440.503	4.737	50	40	IJGB	
Cc1ccc([C@@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1	12275442	HHKDHQXLEGRPJT-UTKZUKDTSA-N	430.451	4.657	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c(C)n1-c1ccc(-c2ccccc2)cc1	408734185	FKICGALFLVBUBW-OCEWKHMESA-N	425.532	4.963	50	40	IJGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2	409113604	DTRBMUFUMXXGOA-WSDLNYQXSA-N	425.337	4.538	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	409172997	KEUBMRNTJDFYQZ-BHGWPJFGSA-N	433.342	4.646	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1OC	409310474	AJPKYQNWGOYXJZ-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(CSc2ccccn2)c1	1097240	IWHHTWROPUTHCR-JOCHJYFZSA-N	447.560	4.833	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@H]1c1ccco1	13174265	DCPDBQTZVZAWFF-HXUWFJFHSA-N	439.924	4.734	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc(OC)c1OC	33333990	VDDQQFOFCCCMHF-AFPJDJCSSA-N	439.320	4.998	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1Cl)Nc1ccccc1F	33653530	DRUADVYESSYLPX-MXAYSNPKSA-N	440.862	4.652	50	40	IJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)c1ccccc1	58917366	QHWJTQHBFMQQBK-JHXRPTDYSA-N	440.341	4.694	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc2ccccc12	408588870	KHFQCJGDQISILQ-WGOQTCKBSA-N	426.476	4.848	50	40	IJGB	
C[C@@H](Br)[C@@H](OC(=O)c1ccccc1)c1cc2c(cc1Br)OCO2	1628452	LLZUKDFNUHDNRA-QLJPJBMISA-N	442.103	4.859	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1	3088270	GFLIDYJBAGZKAF-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
C[C@H](/C=N/NC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccccc1	9137338	SDXUUOSWCNMHLH-DTVDJLOLSA-N	441.940	4.660	50	40	IJGB	
CN(c1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1)S(=O)(=O)c1ccccc1	20232893	CIQKMTZHYBZDTE-UHFFFAOYSA-N	441.597	4.834	50	40	IJGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	33282853	UCQRVKSXVRVIMM-ATVHPVEESA-N	448.500	4.852	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccccc1F	59334719	IRPMRCRKRFEUQE-SXGWCWSVSA-N	447.304	4.561	50	40	IJGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	409184297	KFPCPSHUVKWOMN-OGLMXYFKSA-N	427.548	4.796	50	40	IJGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3	933861	YKXPSDQURMDERX-NRFANRHFSA-N	427.847	4.988	50	40	IJGB	
C[C@@](Br)(CBr)CC[C@](C)(Br)CBr	1692806	QSMYVVWMTNSLOB-YUMQZZPRSA-N	429.816	4.864	50	40	IJGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	2357241	WFBDMLGIYWDYGW-CKVBZJJFSA-N	443.503	4.891	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1	13055147	VZQNKBZUWQCAQW-HSZRJFAPSA-N	447.560	4.626	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(=O)O)c3)c2C)cc1	33611699	YHMDVHXXFHMFRJ-MOSHPQCFSA-N	429.476	4.737	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(C(=O)O)cc1	408540617	AJZGHAFIBRHRGD-MTJSOVHGSA-N	429.428	4.735	50	40	IJGB	
C/C(=N\NC(=O)CNc1ccc(I)cc1)c1ccc(C(C)(C)C)cc1	408569144	ZCJVXAXUYTVRBL-OEAKJJBVSA-N	449.336	4.541	50	40	IJGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2Cl)N2C(=N1)SC(C#N)=C2N	408609063	YJMTYSLJYVRRBE-INIZCTEOSA-N	437.352	4.722	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(C(=O)O)cc1	408888895	CMXFARNQZSTCCY-NTEUORMPSA-N	437.795	4.752	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408961154	AUPKNAKFYQXVPE-AUEPDCJTSA-N	445.235	4.639	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OC(=O)c1ccccc1	3116242	WPJGJUWLELAWOX-MTDXEUNCSA-N	438.483	4.760	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(C)C)cc1OC(C)C	8812667	HAQBGADMTSSDRQ-FSJBWODESA-N	449.345	4.796	50	40	IJGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)c1ccccc1	408706692	CHUQRHOFVISSLY-NXYZXBHKSA-N	438.890	4.550	50	40	IJGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408987940	PSRMXCRUOYVHND-DHDCSXOGSA-N	429.701	4.969	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)Nc1ccccc1	409044993	WZPMAQBLSWZNEO-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	409225893	SHEYUJDRATXOQM-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@H]1c1ccccc1	409309797	MNNULWARJHGJKA-ZDUSSCGKSA-N	432.332	4.704	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1OC	409321831	VEHQQDKGAOSCDA-ZMFRSBBQSA-N	442.874	4.839	50	40	IJGB	
COC(=O)c1c(NC(=O)c2cc(=O)c3cc(Cl)ccc3o2)sc(/C(C)=C/C#N)c1C	8869579	JSRRZHGHHFOFIF-UXBLZVDNSA-N	442.880	4.782	50	40	IJGB	
COc1cc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(C)cc1[N+](=O)[O-]	9363534	NTNSNYBBSDNSMU-GXDHUFHOSA-N	437.437	4.920	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OC	30814045	DSLNAKLDSOVDOA-NKVSQWTQSA-N	437.677	4.630	50	40	IJGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1ccc(Cl)cc1	33360468	RVFKTWQXAWYSKC-MYYYXRDXSA-N	447.951	4.830	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)c1	408589807	MYBNGJWQAKBXFX-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC	408752109	FWTLZWLSLHRPOE-DNTJNYDQSA-N	432.101	4.537	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OC(C)=O	408762372	KLRHRRWCXYYVRL-QPEQYQDCSA-N	449.688	4.582	50	40	IJGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408905380	YCQDZDAUTBINGP-MXAYSNPKSA-N	433.395	4.823	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccccc1Br	408965434	HJPWBFQBOHFBLN-BRJLIKDPSA-N	439.288	4.631	50	40	IJGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409227287	YZJRPMSRSNGSLO-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1cncc(Br)c1	1189160	XEFFRFVMRUIRHA-BHGWPJFGSA-N	444.716	4.558	50	40	IJGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OS(=O)(=O)c4ccc(F)cc4)cc3)nc2c1	16348318	RKIHYCJEHSOYSJ-GHRIWEEISA-N	433.464	4.842	50	40	IJGB	
O=C(O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)ccc1Cl	20760190	WHCQDTUSXHLFER-LSHDLFTRSA-N	447.672	4.825	50	40	IJGB	
C/C(NCCSSCCN/C(C)=C1\C(=O)C[C@@H]2[C@H]1C2(C)C)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C	100749075	SZFRXFHQDNKSIE-LRJKJTCDSA-N	448.698	4.585	50	40	IJGB	biogenic
C#CCOc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1OCC	107656563	GLTOLIQIWNXEJM-GDNBJRDFSA-N	447.247	4.905	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc(F)c1	408786802	WEWMSAZQTIKMTH-PXNMLYILSA-N	447.304	4.607	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCC)cc2Cl)cc1	408792842	COGUUWHNWGLSKA-GZTJUZNOSA-N	442.899	4.860	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)o1	408962578	ZMBOFKKCUOCFIP-ZRGSRPPYSA-N	430.382	4.665	50	40	IJGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)c1	408964808	SLZKLXYGZXWNDE-RPPGKUMJSA-N	430.382	4.824	50	40	IJGB	
CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1	46085055	XSSGQRWHCGDSRA-FVDSYPCUSA-N	441.531	4.792	50	40	IJGB	
O=C(N/N=C/c1ccccc1OC(=O)c1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	408887233	NALUSUNXKQRKMR-WGOQTCKBSA-N	439.427	4.731	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409243460	WOEIINONRYCESY-GZQZNAIASA-N	441.325	4.807	50	40	IJGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1Cl	409303798	OLSSVOCIXDZGRQ-FMCGGJTJSA-N	425.312	4.953	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1ccccc1	409318699	XTICCZFUCDCYOT-AWEZNQCLSA-N	432.332	4.704	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccccc1	3628356	MNLHCBRDGGHFHT-RUZDIDTESA-N	442.471	4.611	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1	13388036	ULKHKRXGOAHJGM-GHRIWEEISA-N	431.404	4.577	50	40	IJGB	
COc1cccc(-c2nn(-c3ccc(F)cc3)cc2/C=C(/C#N)C(=O)Nc2nccs2)c1	33504264	PROVMNWVEXLJKE-WJDWOHSUSA-N	445.479	4.689	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1ccccc1Cl	59399047	OBIDTBLRNYUDJV-CVKSISIWSA-N	438.911	4.847	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccccc1I	408590211	OCKXZAMRFVIEOB-RGVLZGJSSA-N	449.317	4.524	50	40	IJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408735878	YUDSGYNXGSZJHW-AWNIVKPZSA-N	435.705	4.974	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc(Cl)cc1Cl	408854337	CTFHENMOQVWYQD-YAXRCOADSA-N	440.906	4.875	50	40	IJGB	
CCOc1cc(Cl)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC	408966577	PGKDUGTUZDFKPA-SSDVNMTOSA-N	431.832	4.556	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC	409384167	AKMVVJNZLDEPHX-PBEVGHANSA-N	441.915	4.603	50	40	IJGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Cl)cc(Cl)c2OC)C(C#N)=C(N)O3)cc1	718444	UQHWYIWNKARGAT-INIZCTEOSA-N	443.290	4.619	50	40	IJGB	
CC(C)c1ccc(C=NNC(=O)[C@@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	12082376	JMCSEIRPSXRGLZ-LJQANCHMSA-N	438.531	4.898	50	40	IJGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2F)c1)C(=O)Nc1ccc(F)cc1	34707412	PTYPEERYVRVROL-SFQUDFHCSA-N	433.414	4.528	50	40	IJGB	
Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)COc1ccccc1-c1ccccc1	39488387	VCPSMYINWJWQSW-OGLMXYFKSA-N	438.531	4.744	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3[N+](=O)[O-])o2)cc1Br	408598649	HCHTUZGBWMIQCM-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(F)cc1	409208974	BIDGRTGXFCPSDP-PDGQHHTCSA-N	447.422	4.824	50	40	IJGB	
O=C(CSc1nc2ccccc2s1)NNC(=O)Nc1ccc(Cl)c(Cl)c1	855458	YBFWHVRSKUASNH-UHFFFAOYSA-N	427.338	4.548	50	40	IJGB	aggregator
CC(=O)c1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)cc1	1801230	GLMBTRFUCBZHHH-HOTGVXAUSA-N	425.120	4.727	50	40	IJGB	
Cc1nn(-c2ccccc2)c2[nH]c(CP(=O)(c3ccccc3)c3ccccc3)cc(=O)c12	3339718	YWLYJBDTLJTVIT-UHFFFAOYSA-N	439.455	4.536	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccnc1	6474952	BYKNHVHAAZVMGN-MWTRTKDXSA-N	449.539	4.602	50	40	IJGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	15220075	MNSBUHVLKZLDLS-YGLOEYOESA-N	438.440	4.572	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)C(N)=O	1410784	KJACUYUFGCFDRU-LFYBBSHMSA-N	426.097	4.727	50	40	IJGB	
N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	9334982	OFENVEIGEACJRP-JLHYYAGUSA-N	434.408	4.940	50	40	IJGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(OCc3ccccn3)cc2)c1C	40139660	VRPGOGOPAMMIBN-CPNJWEJPSA-N	429.476	4.572	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	408767107	IVPKVGYJUSTQLV-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)cc1	3088375	OOMOTMBLWGKZFO-AFUMVMLFSA-N	449.532	4.866	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)c(C)c1	4091338	IDLMSUVSDOHMSB-LQKURTRISA-N	438.531	4.953	50	40	IJGB	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	8386391	LHTDVZYQGDZNQS-QQNWGFFHSA-N	429.520	4.774	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(Br)c2)cc1	15939004	TWZQYNNQHJAESC-SDQBBNPISA-N	436.103	4.771	50	40	IJGB	
COc1ccccc1NC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl	16606603	FNBVZZPFSPPTIM-SFHVURJKSA-N	430.291	4.722	50	40	IJGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl	20156981	BIIGHYVTKLNTQA-UFFVCSGVSA-N	426.097	4.532	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccccc1Cl	30822013	UGWWKECCKTZQHX-WGARJPEWSA-N	440.858	4.861	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1C	408568282	SLGFQFHVBTWZLV-ZVHZXABRSA-N	448.435	4.605	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1ccccc1Cl	408737372	NBWUCNVPAKLUEU-JFLMPSFJSA-N	433.895	4.953	50	40	IJGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1Br	408816800	KFCOZMINRVAVML-NVNXTCNLSA-N	449.732	4.733	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2F)cc1	408884565	YIPRGJUMLVACAC-FYJGNVAPSA-N	444.462	4.757	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Br	408998705	RYMWTHBSTKUBGI-UUYOSTAYSA-N	441.285	4.529	50	40	IJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1C	3072719	HNLSLPIRSALYDO-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3[N+](=O)[O-])cc2)cc1	12124393	HLQGSEBMJCHPEL-XMHGGMMESA-N	427.416	4.668	50	40	IJGB	
COc1ccc(C(=O)N/N=C2\CCN[C@H]3CCCC[C@@H]23)cc1COc1ccccc1Cl	36611108	MDTKETGJOMDZSA-DVNPFXHZSA-N	441.959	4.566	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408942808	LIIVGSBTWKBQCE-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)C(F)(F)F)c1	19639315	YUIZGUJYRDVWFV-BRJLIKDPSA-N	443.878	4.614	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1	20244096	JAQKNMNRNDKPHO-WPWMEQJKSA-N	435.568	4.576	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	59297455	UXWVBBBLICWVQE-NTEUORMPSA-N	430.258	4.692	50	40	IJGB	
COc1c(Br)cc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br	408762348	OGDSKBDMTTZHBH-UFWORHAWSA-N	446.526	4.638	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc(Br)c1OC	408802868	IOKBMDLMRAXSTF-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408834805	MBGOEDJVWAIXRL-RIYZIHGNSA-N	431.275	4.568	50	40	IJGB	
O=C(NNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc2[nH]cnc2c1	3304931	NDZKPEDZQNANOZ-UHFFFAOYSA-N	441.878	4.506	50	40	IJGB	
O=C(NNc1nc(-c2ccccc2)cs1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	3768011	ABRSGUUBIBSEFT-UHFFFAOYSA-N	437.287	4.721	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1	5736380	KCBPMNVPDGNGMA-YZSQISJMSA-N	426.992	4.549	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(F)cc1	8812210	HORRAQSUSDXFNR-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1	9210781	ZLRNUSWCVFPPNE-JOCHJYFZSA-N	438.487	4.855	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\C(Cl)=C\c2ccccc2)nnc1-c1ccc(C)cc1	12466992	ZXQAORULRONPBA-LJFHLDAPSA-N	439.972	4.747	50	40	IJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1	14151883	MFCQYGFLEGDFAR-SFQUDFHCSA-N	434.565	4.899	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccccc1Cl	40006571	IDTSFOVOSPSLJY-QDDTUJKSSA-N	440.927	4.520	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408961672	DFJVRAVXNVEUHE-BRJLIKDPSA-N	430.386	4.785	50	40	IJGB	
COc1ccccc1C(=O)N/N=C\c1cc(C)n(-c2sc3c(c2C#N)CCCC3)c1C	408999850	SOBSPVXBHXEIBD-WGARJPEWSA-N	432.549	4.679	50	40	IJGB	
CC(=O)c1cccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c1	1801215	SMUSVJZGKZOZDS-HZPDHXFCSA-N	425.120	4.727	50	40	IJGB	
CC(=O)c1cccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c1	1801217	SMUSVJZGKZOZDS-JKSUJKDBSA-N	425.120	4.727	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccccc3F)c2)cc1	3112135	LDXGCGMHCIGIAL-WPWMEQJKSA-N	432.499	4.688	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Br)cc3)o2)c(C)c1	13945564	NOEYRNHMOKFMQB-FMCGGJTJSA-N	427.298	4.855	50	40	IJGB	
Cc1ccc(/C=N\NC(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1	29763394	MMFWIHFLMLZMAQ-WMDMUMDLSA-N	434.336	4.641	50	40	IJGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O	113481053	YMZUUBXTYVYAPI-MRXNPFEDSA-N	443.315	4.729	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1C	408603200	FVNCXHNBICJICS-HXUWFJFHSA-N	447.510	4.518	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC	408792458	AARLGFVINWPCPZ-LFIBNONCSA-N	427.298	4.958	50	40	IJGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccc(Br)cc2)c1	409003591	SZVGSRAQQDXNLI-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409036999	WWHGFXIJVSVVOD-QQXSKIMKSA-N	439.475	4.640	50	40	IJGB	
CCOC(=O)C1=C(CSc2ccc(Cl)cc2)OC(N)=C(C#N)[C@H]1c1ccccc1F	2316494	VGXRXJVGDNSTKV-LJQANCHMSA-N	444.915	4.896	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	2708486	OOVIRPVMISCUMT-ACCUITESSA-N	435.480	4.671	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1	2824745	IKCSEFWEFZBCNR-UNOMPAQXSA-N	430.464	4.865	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2)cc1	408837426	FEDHVDMNIFUSCS-MFKUBSTISA-N	436.309	4.855	50	40	IJGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1	408967962	WAYGBGCLBHBEDB-DICXZTSXSA-N	444.560	4.893	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2C)cc1C	409198174	ZBCGAYYZDUHZHT-WSDLNYQXSA-N	427.504	4.663	50	40	IJGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C#N)c3ccccc3)c2C)ccc1Br	409206445	OKNGLXQLYXRBBJ-WMPMWDHYSA-N	449.352	4.923	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)Nc1cccc(Br)c1	1082538	MSMGBUUHYQRDHR-JLHYYAGUSA-N	437.249	4.953	50	40	IJGB	
COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2)cs1	1815126	TYFQMPGBHAFBQZ-FOWTUZBSSA-N	435.505	4.899	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1	8842867	AITNMHLYUTWNNM-QNGOZBTKSA-N	443.503	4.825	50	40	IJGB	
C=CCOc1cc(Cl)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC	16688184	QREIQFQQBVHUKC-FQEVSTJZSA-N	428.916	4.754	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)c1	409034906	IJFQVMMHHUFLKE-MFKUBSTISA-N	428.517	5.326	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccncc1	409146717	SSUVTCFZXNPSKS-WYMPLXKRSA-N	444.716	4.840	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccs2)cc1Br	12364079	NIOUBZIYSHOTIH-FSJBWODESA-N	440.322	4.725	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cccnc3)c2C)cc1C	20243923	VXCHPLBRBDTXPB-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	33558310	SFONOOPAADOPMU-XMHGGMMESA-N	429.432	4.685	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	100815455	DLVKQSKXZCYNOL-QRVIBDJDSA-N	443.297	4.923	50	40	IJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I	408745593	TUNSBGWQZZQACA-GDNBJRDFSA-N	432.261	4.544	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408798708	WORPSTMBSJAVQT-NTEUORMPSA-N	445.700	4.669	50	40	IJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408812544	SQPQPDWTKPZOEZ-NGWPFTMJSA-N	431.305	4.989	50	40	IJGB	
CCCNC(=O)N(NC(=O)Nc1ccc(C)cc1)c1nc(-c2ccc(OC)cc2)cs1	3768098	CGHOSBXRWIGVHY-UHFFFAOYSA-N	439.541	4.790	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1OCc1ccccc1	13345087	WGXQWQZZJYZDDQ-CPNJWEJPSA-N	428.444	4.518	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59248927	URJXTIQWGBYCAA-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1ccccc1Cl	409072903	NYGIHEZTGNNQPG-SAPNQHFASA-N	438.892	4.653	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)c(C)c1	409264169	NIZIGGDUTDLBCL-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)cc1OCC	409311994	IOGXTXLYMJCLJR-IMRQLAEWSA-N	430.504	4.993	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1OC	409325405	YIDLJCKJNLDHFY-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc4c(c3)OCO4)o2)cc1Br	409362295	UTJAYGVCZHUVPM-LSHDLFTRSA-N	427.254	4.510	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)c(C)c3)o2)cc1	2744466	UNISAEAKUWLGMG-DHRITJCHSA-N	440.883	4.614	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@H](C(=O)O)N2	6074201	HFXTYQITEZRVMW-UGVJRFNBSA-N	446.912	4.548	50	40	IJGB	
CCCCCOc1cc(OC)ccc1[C@@H]1C(C#N)=C(N)Oc2oc3ccccc3c(=O)c21	8738328	DSWHGGBLIDVYIA-OAQYLSRUSA-N	432.476	4.589	50	40	IJGB	
C/C(=N/NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(Br)cc1	8780735	LSGUYKKEQIOTIU-IWIPYMOSSA-N	448.792	4.855	50	40	IJGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cc(C)sc4C)c32)cc1OC	8951566	HQYOUDYHPNGDSQ-IBGZPJMESA-N	436.537	4.771	50	40	IJGB	
O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	10386929	KJYAOSJKMOZUCY-UHFFFAOYSA-N	433.686	4.533	50	40	IJGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\NC(=O)Nc1ccc(SC#N)cc1	16160655	XPTKGGTUDSEIRV-MOSHPQCFSA-N	427.489	4.841	50	40	IJGB	
CN(N/C(=C/C#N)NC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl	100259324	LSQDSRGVYWWZIM-MKMNVTDBSA-N	445.232	4.535	50	40	IJGB	
Cc1ccnc(Sc2oc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Br)n1	409269540	CMLKWYZHZSMEGV-UKTHLTGXSA-N	441.310	4.837	50	40	IJGB	
COc1ccc(OC)c([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c1	2325392	LUGHFTVAPWVDKB-QGZVFWFLSA-N	441.940	4.577	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2ncc(Br)cc2[nH]1	9805811	YCOMFVIQOCKRGU-NTUHNPAUSA-N	435.237	4.743	50	40	IJGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)C(N)=O	59292103	ZROOMEFJOOHLGH-LFYBBSHMSA-N	426.097	4.727	50	40	IJGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc21	223479785	WMZURIPPTNTHQW-QFEZKATASA-N	436.512	4.534	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc4ccccc4n3)c2C)cc1C	408741223	ONBVQESUANDQRH-JFLMPSFJSA-N	426.520	4.788	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	408820004	UPWPWPJHDFJFQU-GDNBJRDFSA-N	437.839	4.740	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Br)ccc2Br)o1	409110475	CJOAYTOGDKSDFO-JXMROGBWSA-N	425.076	4.942	50	40	IJGB	
COc1ccc(CCN(C(=O)CCl)c2nc(-c3ccc(F)cc3)cs2)cc1OC	932862	IVLATBAOLBAIRA-UHFFFAOYSA-N	434.920	4.781	50	40	IJGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	3087601	CZCDQASJQNEHQN-SSDVNMTOSA-N	433.689	4.892	50	40	IJGB	
CCc1nc(N2CCN(C(=O)CCCl)CC2)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3	12639285	FSGKJSLLFFFIAB-OAHLLOKOSA-N	449.064	4.682	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)cc1	20244103	YLSDVYFUQFMGFT-WPWMEQJKSA-N	429.520	4.766	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(Cl)cc1OC	34738270	SQHWSLOKFUFSIN-UFFVCSGVSA-N	433.873	4.634	50	40	IJGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	83301815	PABYZRPXJGATLQ-QTPRHWQCSA-N	432.520	4.628	50	40	IJGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)c1	408707263	IPWIXOKDJSWZCC-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1C#N	408794706	AZKXRAJUHBUBJP-ANRKENSESA-N	437.499	4.930	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2cc(C)cc(C)c2)cc1	408825528	DPLUTQLPZFJKQV-UHFFFAOYSA-N	441.597	4.634	50	40	IJGB	
COc1c(Cl)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1Cl	408881308	KOOZQHWZMIHDHG-DNTJNYDQSA-N	426.350	4.854	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1	409006909	SJFJQJHHONWTOH-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
C[C@H](C(=O)NNC(=S)Nc1cccc2ccccc12)n1nc(C(F)(F)F)cc1C1CC1	2794053	JZSINIPGKNFJGY-GFCCVEGCSA-N	447.486	4.511	50	40	IJGB	
CCCCCCOc1ccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1	22753271	FITPBDZCJFTBKM-UHFFFAOYSA-N	435.524	4.613	50	40	IJGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	408610550	OCPAFFNOACRAAH-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(N2CCCC2)cc1	408676495	JIEBMWQUHXHSMC-ZVHZXABRSA-N	438.871	4.872	50	40	IJGB	
O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2cccc(-n3cccc3)c2)cc1	408962292	YDXBPWIUPGOCIL-PKAZHMFMSA-N	439.471	4.518	50	40	IJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)c1	409181527	CQLGNBREYCVFES-WPWMEQJKSA-N	426.472	4.969	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)c1	58926779	AFPPLOVGMIVVDP-ZMOGYAJESA-N	436.537	4.694	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(Br)c1	59435324	NMIGSSMSZNASST-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)c2c1	107925283	MUROUABVLIWYES-CVKSISIWSA-N	426.476	4.566	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1	408764029	HZDSGRRRZQQFAX-PXLXIMEGSA-N	426.472	4.988	50	40	IJGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408798143	USQIJQHMXVDHBV-WUXMJOGZSA-N	439.682	4.744	50	40	IJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1	409089911	NNFGMAPQCWJGEF-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
O=C(CSc1nc2ccccc2n1Cc1ccccc1)N/N=C/c1c[nH]c2ccccc12	1254183	RWVOKNJOEHVHJX-JFLMPSFJSA-N	439.544	4.808	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1	9380022	WBRVWIIVGNFERR-UQQQWYQISA-N	435.597	4.895	50	40	IJGB	
C/C(=N\NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)c1ccc2c(c1)CCCC2	9434884	HDOQQTXZSSNRKG-FUMWUCPYSA-N	443.572	4.938	50	40	IJGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C(=O)O)cc1	33518296	RVKWNUYWTLTEQE-JAIQZWGSSA-N	430.416	4.945	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCc1ccccc1	58871121	CCHBZHGQWNDYGH-MFKUBSTISA-N	433.464	4.645	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C2/SCC(=O)N2c2ccccc2C(F)(F)F)c1C	98001862	PRAMFXXIJGBPEJ-XSFVSMFZSA-N	431.439	4.776	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CNc2ccc3c(c2)OCO3)c(C)n1-c1cccc2ccccc12	408589144	KTCCOSGQPSQADZ-CCVNUDIWSA-N	440.503	4.538	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1	408708903	VDLXRCMXGMOELV-GBYSFBBLSA-N	448.954	4.762	50	40	IJGB	
CC(C)(C)c1cc(CCC(=O)NNC(=O)/C(C#N)=C/c2ccccc2)cc(C(C)(C)C)c1O	408755046	XYDZSCRWWVRVQA-XSFVSMFZSA-N	447.579	4.674	50	40	IJGB	
CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1Br	409050910	CWVUSTAZOZQHNP-SSDVNMTOSA-N	439.737	4.972	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409323141	NUUVQIIZIZGZME-PKAZHMFMSA-N	446.503	4.612	50	40	IJGB	
CCOP(=S)(OCC)Oc1cc(COC)nc(-c2ccc(C(F)(F)F)cc2)n1	2555973	VRYSXIMUNBZTDM-UHFFFAOYSA-N	436.392	4.985	50	40	IJGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	59503405	CZVLRSWMFBABAL-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
CCCCCCCCC(=O)N/N=C(\C)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1	97965597	BQAMLBYWWHGLSW-GOTILXQTSA-N	441.572	4.883	50	40	IJGB	
CN(C)c1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	408551352	CFBXLLMGMXWPKV-SAPNQHFASA-N	441.560	4.901	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c(O)c1	409392491	PSFWLJMPHVXVBH-BHGWPJFGSA-N	432.307	4.879	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(F)cc1	12465299	OUWXQFCFWBYQSF-HYARGMPZSA-N	446.598	4.910	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)COc1ccc(Cl)cc1Cl	16282488	YPSHLDADNYCMBG-WYMPLXKRSA-N	442.730	4.855	50	40	IJGB	
COc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br	34869259	VMJINONDIAOFQX-MLPAPPSSSA-N	437.087	4.983	50	40	IJGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	59104603	PYZHGPPXQKTYIW-BOPFTXTBSA-N	438.325	4.595	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1C	408691530	CFHNALMXUFFKQY-DHRITJCHSA-N	439.357	4.727	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)n1	409247154	GPVNAKZUHDQYFM-AFPJDJCSSA-N	435.336	4.903	50	40	IJGB	
CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)c1O	2089998	WBNYRYYLVCMLAZ-JVWAILMASA-N	441.487	4.779	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Br)cc2)ccc1OCc1ccccc1	3102551	QFQOHUCUGAMPMF-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(CSc2cccc3cccnc23)cc1	3232450	LPMTXYXHUWBBOH-VULFUBBASA-N	429.501	4.702	50	40	IJGB	
O=C(c1ccc(F)cc1)[C@@H](Br)[C@@H](Br)c1ccc([N+](=O)[O-])cc1	98042957	NLVLJSSQFKQBME-KBPBESRZSA-N	431.055	4.816	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl	408745009	OSCJELQDDGNJII-NVNXTCNLSA-N	433.291	4.789	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408960320	DUEYRTJHUWPAAS-DHRITJCHSA-N	433.395	4.823	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1OCC	409310211	SDBUDAFFTROWFB-IMRQLAEWSA-N	430.504	4.993	50	40	IJGB	
COc1cc(C(=O)Cl)cc(I)c1OCc1cccc(Cl)c1	226364385	JISFPIXYQXBXHT-UHFFFAOYSA-N	437.060	4.911	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1	408738077	MYEMRRRRLVEYDN-FSJBWODESA-N	442.928	4.898	50	40	IJGB	
COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408806014	DTACXAHYBBVZED-SFQUDFHCSA-N	442.346	4.974	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	408992492	ABJHAXJKRHTAKE-LQKURTRISA-N	438.487	4.902	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccs1	409185755	PPLNUSMFFXUHQY-DIVQNALZSA-N	435.574	4.676	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1	409316780	NBXFUUJTXRBYEZ-KRWDZBQOSA-N	425.941	4.667	50	40	IJGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)o1	409391198	HXMJFDXBPDMWLN-VBKFSLOCSA-N	443.434	4.754	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1	409392247	OJXAVQLBXPZYRV-OCSSWDANSA-N	434.499	4.853	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1	8385903	DEHHBVFZHPUZPC-HBAGGBEISA-N	435.936	4.883	50	40	IJGB	
O=C(N/N=C/c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccc1	8782221	HAOLAWAWXBCDNB-CIAFOILYSA-N	425.311	4.589	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208248020	KGLPRFBNDHOPDQ-UXIIITNFSA-N	429.948	4.600	50	40	IJGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408724816	CZWNDLCRRKTLAC-PGGKNCGUSA-N	432.263	4.544	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)cc1	408745638	UOFKPSNMTMQKHQ-XMHGGMMESA-N	430.464	4.947	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C	408915491	WFUXQNVLVQOICF-LQKURTRISA-N	439.515	4.947	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@@H]1c1ccccc1	409131438	XXWRSLQKQLFMJU-ROUUACIJSA-N	447.343	4.665	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccccc1	409212724	PYYUGNDUXOKXCP-RGEXLXHISA-N	429.432	4.685	50	40	IJGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1	840421	RVPIJJDKRANODX-HNNXBMFYSA-N	443.330	4.740	50	40	IJGB	
CCCCOCCO[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615216	CELYSLKKVPJECL-ZBEGNZNMSA-N	438.156	4.836	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccccc1	9581107	MUMUEGSTOZCQCO-XDHUDOTRSA-N	432.483	4.738	50	40	IJGB	
N#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3ccc(N4CCCCC4)s3)cc2)cc1	12634107	ZAVQPYGDUYYYMF-WPWMEQJKSA-N	444.560	4.806	50	40	IJGB	
Cc1ccc(/C=N\NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)o1	19833200	NNLKSHASBOXSGD-MSXFZWOLSA-N	438.940	4.882	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	59483944	ZMSHYFPSDRBJOP-YBEGLDIGSA-N	427.298	4.877	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	408743909	IBMRMPLAFJTUED-NVNXTCNLSA-N	433.291	4.789	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3C)c2)cc1	409268577	WBCMWYPXSJMBMF-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1	409325409	YJCVYBNYYRFXCG-QGZVFWFLSA-N	443.981	4.772	50	40	IJGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(C)s3)s2)cc1	2325054	YPGIIRRSFIHENB-DJKKODMXSA-N	434.637	4.751	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCCOc1cccc(C)c1	9113233	QXMZQXXYPXCIKM-XQNSMLJCSA-N	442.515	4.685	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1)c1nc2ccccc2[nH]1	9187318	WTEJTWJQMWRHJH-LFIBNONCSA-N	430.414	4.923	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	20247160	XVZUZBVLYRNMIW-PODSUIKTSA-N	449.963	4.878	50	40	IJGB	
CCOc1ccc(/C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=N\N)cc1	100092805	DHNBPCIEYSREGC-HYOGKJQXSA-N	439.519	4.742	50	40	IJGB	
O=Cc1ccccc1OCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104054575	MCDHDWZBEIPQHM-UHFFFAOYSA-N	426.496	4.994	50	40	IJGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(I)c1OC	107605421	DQBAKQSIMMTVKB-QPEQYQDCSA-N	445.260	4.557	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Br)cc1OCC#N	408791321	VZYWIKFXQHBSJK-MDWZMJQESA-N	446.688	4.559	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1	408878653	BEIZSBJTPGNURG-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Br)cc1	409351734	AJOWCKHPPAHTNG-AFUMVMLFSA-N	440.341	4.953	50	40	IJGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccc(F)cc1)C(=O)N1CCCC1	409367981	KYZAJLXPSYJSNT-GZTJUZNOSA-N	429.289	4.697	50	40	IJGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3Br)ccc2[C@H]1c1ccccc1	8917306	LKFXHTXIXAUYIW-OAQYLSRUSA-N	447.288	4.886	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)ccc1OCc1ccccc1	9296278	JVLVQKHHIPFLKQ-JOCHJYFZSA-N	449.304	4.952	50	40	IJGB	
CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	46084960	YJFYEHQKHPFOEJ-FVDSYPCUSA-N	441.531	4.937	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CN3C(=O)c4cccc5cccc3c45)cc2)cc1	107070830	NXBUWJULNVWITJ-MUFRIFMGSA-N	449.510	4.838	50	40	IJGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Cl)c1OCC(=O)OC	107935076	MEBLISOOSMAATQ-NVNXTCNLSA-N	425.872	4.539	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(Sc2ccccc2)o1	409001559	WNCBYUISJWXLIE-CIAFOILYSA-N	431.311	4.966	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1	409244265	AJALRUROCFPVJI-NLKUQUHMSA-N	427.504	4.665	50	40	IJGB	
CCOC(=O)Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c2C)cc1	20194877	LXSWKFCZGGIUJA-OGLMXYFKSA-N	445.563	4.509	50	40	IJGB	
COc1cc(C)c(/C=N\NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(C)C	33928044	WLBCEUILRJRLSP-GATIEOLUSA-N	437.418	4.747	50	40	IJGB	
CC(C)c1ccc([C@@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	35342716	WBPJOHJTCZOJLN-IZZNHLLZSA-N	433.559	4.736	50	40	IJGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	58914673	HIOJBJJBTKJNOQ-MSXFZWOLSA-N	446.290	4.741	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OCc1ccccc1	408850805	RLOOVMWIPDEXCQ-QFEZKATASA-N	445.431	4.693	50	40	IJGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408888118	SPDNOKPXXHNJRT-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC	107756851	IVLNKXZJPVYUBG-QFEZKATASA-N	440.883	4.660	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1	408896628	SOTQQKKGBGVSCH-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	409364229	NQYWFZZBJRJWGP-AUEPDCJTSA-N	433.251	4.724	50	40	IJGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)cc1OC	8442089	YIMRMCNSEWJQPQ-OAQYLSRUSA-N	430.508	4.709	50	40	IJGB	
COC(=O)c1cc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(C(=O)OC)c1	9075751	RLVRRLMCIOCYNO-PDGQHHTCSA-N	447.516	4.977	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1	408749473	PBZZIXAHHOCWOQ-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)NCc1ccccc1	408759714	KFEJSDGIBNTPEV-DEDYPNTBSA-N	445.906	4.581	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2cccc(F)c2)c1	408897631	ZDAUDOVYQHIBCM-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
CCN(CC)c1cc(OC)c(/C=C(\C#N)C(=O)NCc2cccs2)cc1Br	781407	PYOMMMDFPDHVKX-OQLLNIDSSA-N	448.386	4.589	50	40	IJGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	3275175	XXHKWVKVYRKBJP-LQKURTRISA-N	435.483	4.773	50	40	IJGB	
COc1cc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc(OC)c1OC	9057806	IFDJCOVYJLXXBS-SDNWHVSQSA-N	438.465	4.721	50	40	IJGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@@H](C(C)(C)C)C[C@@H]32)cc1OC	20459409	XPUFJDNCDUJFAM-SYJLOODJSA-N	446.551	4.578	50	40	IJGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c1ccc(Br)cc1	32189272	RYJXOLMYHAFGAE-MYYYXRDXSA-N	448.320	4.922	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccc(C)cc1	96401901	UMASFEDIHMXBAY-MTJSOVHGSA-N	442.471	4.827	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)OC)c3C)o2)c1	408744525	FTAYZENDKVPRGN-LGMDPLHJSA-N	430.460	4.986	50	40	IJGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(F)cc1	409092683	XQUHTUAFWUEABI-RVDMUPIBSA-N	448.366	4.980	50	40	IJGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1c(/C=N\NC(=O)c2ccccc2)cccc1[N+](=O)[O-]	409226192	PNBZKBBMLPKPRU-OXWYTDJFSA-N	449.850	4.631	50	40	IJGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc([N+](=O)[O-])cc3)=C2C#N)cc1Cl	409325268	XKMYOPQOXOYZKZ-OAHLLOKOSA-N	429.885	4.529	50	40	IJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Oc2cccc(/C=C(\C#N)C(=O)OCC)c2)cc1	1791229	QEMGNNAHVDNOKI-ALCUREISSA-N	444.487	4.848	50	40	IJGB	
O=C(CCC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1c(O)ccc2ccccc12	2750893	MIZOMWCCFOSNSQ-WYMPLXKRSA-N	430.291	4.721	50	40	IJGB	
CC[C@@H](c1ccc(C)cc1)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)C(C)=O	3616689	DVFLYSIBLPBLOP-SANMLTNESA-N	444.575	4.879	50	40	IJGB	
CCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1	9320375	QSORWQFTRLGSNS-WPWMEQJKSA-N	440.503	4.818	50	40	IJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1cccc(Br)c1	9693427	DVJHZNKMDWDMNP-KRWDZBQOSA-N	444.329	4.808	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1OCc1ccccc1	13085893	CLVUWRSJDNWFQP-HXUWFJFHSA-N	430.508	4.513	50	40	IJGB	
C/C(=N/NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	15894606	NCBZUDYZXANIEP-ZMFRSBBQSA-N	427.291	4.795	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	108256818	BQCRFSKMQUGMKR-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1	408650372	MLLNPBMWSBFAPY-FXAWDEMLSA-N	448.346	4.733	50	40	IJGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1	408809371	RMIINKJSRMONED-LICLKQGHSA-N	449.334	4.641	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(Cl)c3)=C2C#N)cc1	409316784	NBXFUUJTXRBYEZ-QGZVFWFLSA-N	425.941	4.667	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC=C)c(OCC)c2)cc1Cl	409326165	HOKJUXICFFTFFF-QFEZKATASA-N	447.318	4.733	50	40	IJGB	
O=C(CCl)O/N=C1\C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Cl)cc21	1401188	RVKASSIILVXNFJ-JWGURIENSA-N	432.090	4.680	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)c1	2301057	SISRDZJUGJTWTP-KGENOOAVSA-N	443.503	4.825	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1	8768464	HHSZCUCRNFYOEM-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2C1	9693440	WBERWOGDFJAKDN-KRWDZBQOSA-N	440.366	4.977	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1	28216162	RYHOZGNCCHNWHB-WYMPLXKRSA-N	440.500	4.525	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1O	59304728	DBZSBXZVADBWQA-WPWMEQJKSA-N	425.488	4.931	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1	408707262	IMUQVGKUANCEGE-CIRUFVMISA-N	434.927	4.720	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)cc1	408820448	XUEKDINAXKDXAR-NDENLUEZSA-N	449.938	4.988	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Br)ccc2OCCC)cc1OC	409313712	CYZPLIMUDLDUHV-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1	409360327	DUSLZGBEUZIATG-DHRITJCHSA-N	435.940	4.816	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2C)nnc1-c1ccc(C(C)(C)C)cc1	2326268	RDTFGJFZSAYZLS-MFKUBSTISA-N	435.597	4.813	50	40	IJGB	
CC[C@H](c1ccc(C)cc1)N(NC(=O)C(O)(c1ccc(C)cc1)c1ccc(C)cc1)C(C)=O	3616692	DVFLYSIBLPBLOP-AREMUKBSSA-N	444.575	4.879	50	40	IJGB	
CCc1ccc(/C(C)=N\NC(=O)CCCCC(=O)N/N=C(/C)c2ccc(CC)cc2)cc1	4015796	HWRGWPVMWCSOJK-RSSRHXQMSA-N	434.584	4.752	50	40	IJGB	
N#Cc1ccccc1COc1ccccc1/C=N/NC(=O)Cc1ccc(Br)cc1	9204147	PNSKCWCOHJFTKN-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)CCSc3ccccc3)cc2)cc1	28214852	OWUPNFFSCJZSQW-YZSQISJMSA-N	447.560	4.645	50	40	IJGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408797259	RBDBUQLNLCFYCO-LDADJPATSA-N	444.403	4.628	50	40	IJGB	
Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)C(C#N)=C(N)O2	409140814	FXUJQHJFBSQVOL-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Cl)cc3)c2)c(C)c1	409273151	VWUOZTBCIIDUOF-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccc(F)cc1	8817346	OUWXQFCFWBYQSF-HMAPJEAMSA-N	446.598	4.910	50	40	IJGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1OC	9204550	LSSZLFJTAOKHLJ-WSDLNYQXSA-N	439.737	4.593	50	40	IJGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccccc1Cl	20493222	JFIJQUGHFLQJJK-UHFFFAOYSA-N	442.025	4.883	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NC1CCCC1	33721657	QKWAYHAPPZNACM-PDGQHHTCSA-N	425.326	4.994	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccccc1C#N	408800848	RKZQXQIAAUPJDZ-HUHAWLCGSA-N	429.520	4.748	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C(=O)O)o1)c1ccc(Cl)cc1Cl	409159897	BIGYLWOYECYJFP-LSFURLLWSA-N	448.218	4.624	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1	409166139	BQIXIFVCZKTHIB-BRJLIKDPSA-N	425.838	4.926	50	40	IJGB	
C[C@H](CCBr)c1ccc(S(=O)(=O)NCCc2c[nH]c3ccccc23)cc1	3110415	KRWAVJGJXLIJRN-OAHLLOKOSA-N	435.387	4.577	50	40	IJGB	
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NN=C2CCCCCC2)cc1	8861387	HCAJAIMNZGQYKR-UHFFFAOYSA-N	447.988	4.746	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OC(C)C	20760799	LKOQBAOERZPTRJ-UFFVCSGVSA-N	425.710	4.662	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)C(=O)NCCc1c[nH]c2ccccc12	408956882	YZZPYEGUZSTULS-IWIPYMOSSA-N	446.510	4.884	50	40	IJGB	
CCCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)ccc1OC	5918997	ZOGJIDNLLLDQSY-LJQANCHMSA-N	436.899	4.746	50	40	IJGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c(C)c1	12250030	HFCBKWDOEACOCK-GOSISDBHSA-N	439.968	4.976	50	40	IJGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	13576181	JTAJEFTUAFEWRJ-SYXCRGJESA-N	435.505	4.805	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(C#N)c2)cc1	20764547	ILMZHOAAGKRNFW-JFLMPSFJSA-N	433.895	4.953	50	40	IJGB	
O=C(CCCCCCC(=O)N/N=C\c1ccc(Cl)cc1)N/N=C\c1ccc(Cl)cc1	31829195	PRYZLIFIVUKBHJ-YXHOTNNGSA-N	447.366	4.934	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)N1CCN(c2ccccc2)CC1	59332892	IQKOUYOIKSJFOV-NKFKGCMQSA-N	441.506	4.660	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c(OC)c1	107632985	SLJLRTQMANJCAQ-DHRITJCHSA-N	425.916	4.837	50	40	IJGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC	108022561	DBDVOUSKZBYVEG-WOJGMQOQSA-N	443.341	4.860	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c1	408708290	OUEGTRUDDVHAGF-OMSYZAOGSA-N	440.975	4.845	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cc(F)ccc2C)cc1	408708998	WDZHAPAGNALFPH-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1	409272624	RATKSRKMSMRITO-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(Br)cc1	2801621	FSIRHGSGTWVYHR-LSHDLFTRSA-N	447.672	4.825	50	40	IJGB	
CC(C)(C)OC(=O)NCCO[C@](C)(CI)c1ccc(Cl)cc1	12359711	YKDQKLZKLXUEAA-MRXNPFEDSA-N	439.721	4.532	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1	20240589	RSFXQFLORKAJNV-ZTKZIYFRSA-N	441.575	4.914	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)CC2(C)SCCS2)ccc1OCc1ccccc1	32116900	RHGAKPCCAIARGY-HAHDFKILSA-N	430.595	4.701	50	40	IJGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	32520529	ZOQHIZATGLIPRP-DHRITJCHSA-N	434.496	4.523	50	40	IJGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC	408854100	XONUOAXPEKFNBD-QRVIBDJDSA-N	443.297	4.923	50	40	IJGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408962102	GQETXWYPSADQKJ-AUEPDCJTSA-N	445.235	4.639	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccccc2Cl)cc1	409224246	KLIVKDHFLHEGCJ-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
C/C(=N\NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccncc1	5317809	NJBHWGAVIBUEFO-JVWAILMASA-N	449.967	4.766	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1cccc(F)c1	9187362	MYIGVRLXNJLMMN-GZTJUZNOSA-N	442.450	4.792	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1	9375349	HWJZJCCJEUBBLN-ZMOGYAJESA-N	430.339	4.994	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCCCOc1ccc(C)c(C)c1	9553745	KMOMSWAWXNLDEP-OVVQPSECSA-N	432.520	4.924	50	40	IJGB	
COC(=O)/C(C#N)=C/c1ccc(OC)c(CSc2nc(C(F)(F)F)cc(C)c2C#N)c1	20353181	NGJHUWNHEGQZMC-VGOFMYFVSA-N	447.438	4.661	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl	33793574	AYNLOQQTTASFFQ-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	58914515	ZFQDCXWEUZWOSV-MYKKPKGFSA-N	430.291	4.959	50	40	IJGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408609792	LMHDTRFBWVDGAJ-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408719969	QNCUNWGFDFJAEA-BFTFCADCSA-N	449.532	4.946	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2)cc1	408926222	WFKLLKNADKJJBC-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2)cc1	408936504	KPVXKKCCJNFOPT-STZFKDTASA-N	446.528	4.925	50	40	IJGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc2[nH]c3ccccc3c2c1)c1ccccc1	408981137	UVDGKBBJGIAOMA-LRULAXNGSA-N	428.492	4.649	50	40	IJGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1OC	409333826	JRYURUSWAIJWQJ-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
COc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	409376282	WRHPZZBZIBGGKD-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(-c2ccccc2)nn1-c1ccccc1	974113	UPKUZYVTBWBDQY-DEOSSOPVSA-N	436.515	4.990	50	40	IJGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1	1769795	SNWRPQHDXZMSGS-JOBJLJCHSA-N	430.514	4.901	50	40	IJGB	
N#C/C(C(=O)Nc1ccc(F)cc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	2357238	WFBDMLGIYWDYGW-JSIHEXFSSA-N	443.503	4.891	50	40	IJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1)OCO3	3628349	PWYXIAOXUSMQIW-QHCPKHFHSA-N	432.863	4.866	50	40	IJGB	
COC(=O)N/N=C/c1ccc(OCCOc2ccc(C3CCCCC3)cc2)c(OC)c1	4526023	POVMSAZMSZHANH-KOEQRZSOSA-N	426.513	4.891	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Br)cc1C)=N\NC(=O)C12CC3CC(CC(C3)C1)C2	12469253	RSFQDDYBHQSJJH-AFUMVMLFSA-N	446.389	4.795	50	40	IJGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSc2cc(C)c(Br)cc2C)c1	12586245	HNMTZMJQERVLNJ-OEAKJJBVSA-N	448.386	4.657	50	40	IJGB	
COc1ccc(-c2nnc(SCC(=O)NN(c3ccccc3)c3ccccc3)o2)cc1	33645945	HCXMXWJKENHAFT-UHFFFAOYSA-N	432.505	4.707	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1Cl	58882949	MEQRWASBEHYCJQ-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1cc(Cl)cc(Cl)c1	58914054	IIODNBKKZZZGKI-MXAYSNPKSA-N	449.382	4.690	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc(Cl)c1	58985854	WFBFWWSXKSNSTR-NRFANRHFSA-N	436.899	4.567	50	40	IJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	59334004	GTNJKOLNDAANRF-NSIKDUERSA-N	437.696	4.816	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cccc(C)c2)cc1	408875415	IOVVQZWLIBNIQM-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)N1CCOCC1	843131	HMXNJSURESSWRA-GZTJUZNOSA-N	440.330	4.762	50	40	IJGB	
CCCOc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCCC	21286046	YFZVKPQZVCERCE-UHFFFAOYSA-N	441.406	4.948	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OC	33450800	IFZLBBBXBQVXSK-ZMFRSBBQSA-N	442.874	4.839	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OC	408568153	IEBJWRBIJXYTDF-QPEQYQDCSA-N	426.245	4.549	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc(Br)c1OC	409019053	OQQPDGWRAZBPMJ-ZVBGSRNCSA-N	437.677	4.630	50	40	IJGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Br	409321000	GFADCRMZHSSVMZ-UCQKPKSFSA-N	449.345	4.799	50	40	IJGB	
CCn1c(Cc2ccccc2)nnc1SCC(=O)/C(C#N)=C1/Nc2ccccc2S1	9570424	AIBNMYJFDYMSFK-PGMHBOJBSA-N	433.562	4.503	50	40	IJGB	
O=C(N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccc(Cl)cc2Cl)CC1)c1ccco1	13306423	WFXJULYNRQCVAN-CSPXPSOWSA-N	446.334	4.766	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)cc1	20764551	AGHKSGTUMVZPPO-JFLMPSFJSA-N	433.895	4.953	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408889196	AQNNMKILGWUSPO-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccccc2F)cc1	408893220	DCBNVXGONILUAU-DHRITJCHSA-N	435.480	4.788	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c(Br)cc1OC	409051050	HJOWTXZEQKOQLB-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)c(C)c1	409064703	FKGANYJUOCCTQE-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409116108	OITZMQUWEVGZGU-IFRROFPPSA-N	432.716	4.939	50	40	IJGB	
N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)NC[C@@H]1CCCO1	409205957	SDEGVJNTPRAFIH-FYXHJSOBSA-N	437.902	4.684	50	40	IJGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccc(Cl)cc4Cl)ncnc32)cc1Cl	10386997	BSOGIHKUQGPAEM-UHFFFAOYSA-N	447.713	4.841	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCCCOc1cc(C)ccc1C	13896275	SMDIEFJOGIOTGA-OVVQPSECSA-N	432.520	4.924	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc1	59534517	WVVKLZAYCGMJQM-DEDYPNTBSA-N	433.533	4.556	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	408880807	IWDNYXIDIJXWCY-AFUMVMLFSA-N	445.500	4.598	50	40	IJGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)Nc1ccccc1Cl	409262861	KIQYUPVWQUNYJD-QGOAFFKASA-N	431.879	4.903	50	40	IJGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccccc3OC)o2)ccc1Cl	409263749	MKHFJHRVPCVWLE-ZMOGYAJESA-N	426.856	4.549	50	40	IJGB	
O=C(N/N=C/c1cccc(Br)c1)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1	8968684	BZYLGOULNLFDGF-ZVBGSRNCSA-N	438.112	4.910	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccco3)n2-c2ccccc2)cc1	19849216	WNBBXQWHFLDWQT-MPVXGRFSSA-N	443.532	4.743	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl	59386453	YSYCVPGFJWWWTA-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	209987487	UVPDBDJXALIJHK-UNOMPAQXSA-N	429.432	4.728	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N1CCC(C)CC1	408606898	RRMJCCRCVZNWBO-XSFVSMFZSA-N	444.535	4.663	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1	408751639	AWJDFQPCFMDGNT-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cc2cccc(F)c2)c1	408873658	UPFRBBSGCMXGJP-XDHOZWIPSA-N	431.423	4.879	50	40	IJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OC)c1OCCC	409066274	BJWBNAYYUGTYFG-XSFVSMFZSA-N	434.492	4.545	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(O)cc1	409222425	CXACJEPFYOWHAS-GHRIWEEISA-N	447.878	4.609	50	40	IJGB	
CC/C(=N\NC(=O)c1ccc(C(=O)N/N=C(\CC)c2ccccc2)cc1)c1ccccc1	8399767	KOTMUFOKBJWRRG-LMCGJEQXSA-N	426.520	4.775	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3cccnc3)c2C)c(C)c1	20243921	IURXSIYCNWSYND-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1	408772786	MZLKZINRWLSYLG-GUKAZZPRSA-N	443.572	4.923	50	40	IJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C\c1cc(Br)cc(Cl)c1O	409202180	PPPMBDXPSPHQIW-GXHLCREISA-N	434.142	4.704	50	40	IJGB	
Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c1	409333951	PVOWKBNNZAITEF-GOSISDBHSA-N	425.941	4.667	50	40	IJGB	
Cc1ccccc1NNC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O	4646151	NQRSGOJMHQCEAY-UHFFFAOYSA-N	449.938	4.711	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)NC1CCCCC1	58882986	SYZPUTXIOZPSES-MXAYSNPKSA-N	448.350	4.585	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3C)o2)cc1	67192524	JQGFQVOEEWYBEH-DHRITJCHSA-N	440.883	4.614	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCC	408903867	AOXIQIMNNBZTBP-FMCGGJTJSA-N	443.843	4.722	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1OCC	409008275	UYFRNFUSJHPWJS-WJDWOHSUSA-N	435.362	4.992	50	40	IJGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	409115678	SULVRFHSRBEXHL-IFRROFPPSA-N	432.716	4.939	50	40	IJGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)C(=O)NC(N)=O	409228581	ZMEIYONFPCUFSG-DHDCSXOGSA-N	440.286	4.827	50	40	IJGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccc(C2CCCCC2)cc1	4598937	XGAIOPKSMJZRFY-YZSQISJMSA-N	425.529	4.593	50	40	IJGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)[nH]n2)cc1	9375091	KRCBDCUJFYLDML-WPWMEQJKSA-N	440.503	4.818	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	28217297	ICHFOTIHQNWRJC-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	100100007	MNSBUHVLKZLDLS-XUFBJZODSA-N	438.440	4.572	50	40	IJGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1cccc(C(=O)O)c1	408541405	GEOPNIQROSSLQH-PTNGSMBKSA-N	437.249	4.953	50	40	IJGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409231136	IENJQMURCGGVJV-YBEGLDIGSA-N	445.441	4.868	50	40	IJGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2)c1	409271695	WALHCKUOYUFYCC-CPNJWEJPSA-N	429.451	4.697	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(C#N)c2)cc1	10475937	URKUOXUUIZEHDP-LQKURTRISA-N	447.922	4.882	50	40	IJGB	
O=C(c1ccc(F)cc1)[C@@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1	98042958	NLVLJSSQFKQBME-KGLIPLIRSA-N	431.055	4.816	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1ccccc1F	408866368	HASSWCLPYUZATL-YBFXNURJSA-N	431.423	4.879	50	40	IJGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Cl	408875645	KVULIYUKWVFRBS-VIZOYTHASA-N	435.307	4.633	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccccc1	409144077	NXHXOBSSYGUQFY-FGZHOGPDSA-N	428.513	4.511	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl)Nc1ccccc1	409188745	ACIKHDASAOWCQW-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1	1257740	RWEUOLJNLMVQPJ-SSDVNMTOSA-N	434.352	4.514	50	40	IJGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	8590256	AWOOPFFMOZQUSA-SAPNQHFASA-N	449.470	4.744	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1nnc(NC(=O)c2ccccc2)s1	16476851	HZCXMRWVJWKOPL-SFQUDFHCSA-N	442.456	4.813	50	40	IJGB	
N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1ccc(Br)cc1	20238284	LCVGJNIKFGEUMF-KRWDZBQOSA-N	432.387	4.797	50	40	IJGB	
C/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1	44790591	GUEFBCTVAXVWRK-MWLSYYOVSA-N	439.437	4.860	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccc2c(c1)OCO2	59297531	XSCJXCSKELYZRU-RGVLZGJSSA-N	446.890	4.871	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C	59720923	MWGLUVRRLKMBIT-BHGWPJFGSA-N	426.860	4.687	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1O[C@H](C)CC	409195436	ULLTUHSATQKDRO-KWZJRMENSA-N	435.362	4.991	50	40	IJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)c(C)c1	1093451	WZBZTDYRYKGHFZ-RDRPBHBLSA-N	441.531	4.927	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(Br)c1	8742122	HZIXAXHCPCHSLY-SRZZPIQSSA-N	441.310	4.834	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccsc1	9291054	CBSZJDWZSGDCIU-FQEVSTJZSA-N	426.501	4.935	50	40	IJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cc2c(s1)CCCC2	9666192	KBTOHUURHMLBNV-CVKSISIWSA-N	427.533	4.639	50	40	IJGB	
COc1ccc2nc(Cl)c(/C=C(\C#N)c3nc(O)c4cc(OC)c(OC)cc4n3)cc2c1	15906499	WUHDEKBBWDWUTN-VGOFMYFVSA-N	448.866	4.627	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc(C(=O)O)c1	33401052	SGNSGYPCUTWRIR-LCYFTJDESA-N	437.795	4.752	50	40	IJGB	
CN(C)N(P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1	95783699	KNMQCZORAUHHCY-UHFFFAOYSA-N	428.456	4.861	50	40	IJGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102306713	IEOTUSYKIFLZSS-OAQYLSRUSA-N	435.505	4.929	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1C	408803681	SAUPAXMDIKOVOW-RCCKNPSSSA-N	431.536	4.677	50	40	IJGB	
C#CCOc1c(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cccc1OC	409029430	AVECNZDJGFQEQC-MTDXEUNCSA-N	435.483	4.686	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)ccc1OCc1ccc(C)cc1	2128407	YTDWGICCYHLWCG-VWLOTQADSA-N	442.471	4.530	50	40	IJGB	
CC(/C=C1\SC(=S)N(CCCC(=O)NNc2ccccc2)C1=O)=C\c1ccccc1	8820590	PNVUILUVKFFCRT-KBWOEQRPSA-N	437.590	4.758	50	40	IJGB	
COc1cccc(OCCCOc2ccccc2/C=N/NC(=O)c2cccc(Cl)c2)c1	13897817	VGCSPGFCGYGYBE-YZSQISJMSA-N	438.911	4.960	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	17644718	HYPMAGDGWPMGIF-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
CC(C)N1c2ccc(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C	260564948	GBBOQAURKFGEFZ-YMKHCOABSA-N	438.528	4.625	50	40	IJGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408719079	BTKLQLKDNGAACE-ZVHZXABRSA-N	435.505	4.557	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C	409222880	YARVFHLPCHNHIE-QJOMJCCJSA-N	441.531	4.537	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1ccccc1Cl	409363103	TTXQFAHNNZRHAT-OJLHXUGZSA-N	438.911	4.501	50	40	IJGB	
CCOC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@@H]1c1cccs1	1270660	XSRBQLDNHCCBJF-HXUWFJFHSA-N	442.537	4.762	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2F)nnc1-c1ccc(C(C)(C)C)cc1	1816980	JMSJWFRGXQYTPJ-AFUMVMLFSA-N	439.560	4.644	50	40	IJGB	
C/C(=N/NC(=O)c1ccco1)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1	15931165	ZGHVSTULTOWMPM-YRQCHPQVSA-N	439.899	4.801	50	40	IJGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccc(Cl)cc2)C(=O)N1c1ccc(C)cc1	16758913	QCLWHINDQOVTGA-UQNFDQQLSA-N	426.925	4.638	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)cc1	20243855	YXDUEFMHPOSTCE-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1	23723822	NLAWCQKMTFKORR-FJFJUCHQSA-N	449.507	4.784	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc2c(c1)OCO2	408743542	GNLOXBRJCXCTIL-JAIQZWGSSA-N	442.471	4.857	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)o1	408889809	HGPMKNINEMVBNO-NTEUORMPSA-N	448.391	4.626	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	408890047	NBFOPXDTMNIOFG-XSFVSMFZSA-N	441.443	4.977	50	40	IJGB	
COc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1	409377438	HMFNRHGLZQDSIH-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
CCCC[C@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12	2320585	IITMSAMHPRSGIJ-NSHDSACASA-N	446.139	4.609	50	40	IJGB	
COc1ccc(SCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1	16217328	WUPVTQKCZDFOCD-FOKLQQMPSA-N	444.896	4.549	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccccc2C)c2ccccc12	408568706	WEXWBKALFYWVQD-VULFUBBASA-N	442.475	4.679	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC	408582505	OLYQVQAVAMGXKC-CXUHLZMHSA-N	428.282	4.551	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)c1	408590555	PPLYUBTVZWOLMA-JVWAILMASA-N	425.488	4.798	50	40	IJGB	
COc1cc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC)c(OC)c2)c(OC)cc1Cl	408832859	SBAQGCKVQTWNCA-LFYBBSHMSA-N	437.279	4.573	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)c(C)c3)=C2C#N)cc1	409332561	HFZNSMPCAPZMLX-LJQANCHMSA-N	437.590	4.736	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c(O)c1	409390157	BTZWJWIVCAOKCZ-BHGWPJFGSA-N	432.307	4.879	50	40	IJGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1cc(Cl)ccc1Cl	886022	LQMFGIKGMLLUAK-AUEPDCJTSA-N	437.714	4.670	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(CSc2ccccn2)c1	1097239	IWHHTWROPUTHCR-QFIPXVFZSA-N	447.560	4.833	50	40	IJGB	
O=C(/C=C/c1ccccc1)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3	2314841	BKXHYPAEUDFVOX-FOCLMDBBSA-N	448.592	4.999	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccc(C(=O)O)o1	34829418	RXDWZCWRIOICRI-WQRHYEAKSA-N	446.459	4.728	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC(C)=O	35002859	QLIVKOLUDMRRDH-YUMHPJSZSA-N	439.471	4.600	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(C(=O)O)c1	59248974	IZPJDXAPJSQIAM-MTJSOVHGSA-N	442.471	4.827	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)c(C#N)c1C	408546962	PSBSVSOYUJAJKI-MHWRWJLKSA-N	431.517	4.624	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC	408581454	IFBBMVNPCRASKG-LICLKQGHSA-N	442.309	4.941	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)o1	408955152	OCGMDCGXUVCYJE-NHDPSOOVSA-N	428.242	4.690	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1	409004833	FDSACSSHAVHXDO-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)CSc3nc4ccccc4s3)c2c1	409013016	LYVYHPLXSSDBCF-FMCGGJTJSA-N	437.546	4.709	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	409046333	KBZQSCYLYZZKDL-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	8733043	LKRGYHURSGRBGA-LZGZYFLISA-N	447.417	4.773	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1OC	9409331	DFKLGQRHQKULJL-QGZVFWFLSA-N	441.940	4.577	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)cc2c1	409187165	MYMHFDJHSXINGM-MXAYSNPKSA-N	432.432	4.862	50	40	IJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1OCc1ccc(C(=O)O)cc1	409187411	QCOYKRPSVVEDLA-STZFKDTASA-N	442.471	4.827	50	40	IJGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)sc(C)c1C	409206542	PHLLLAMKGDJXEB-XDHOZWIPSA-N	439.581	4.915	50	40	IJGB	
COc1ccc(C(=O)[C@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	1698968	CZIXWKTXPQIUKQ-HUUCEWRRSA-N	443.091	4.686	50	40	IJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Br	12555868	MIDVVIMGGQUANU-XYOKQWHBSA-N	436.103	4.766	50	40	IJGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	58913821	VCRUWBAIZYDOJF-UVHMKAGCSA-N	442.441	4.510	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(C(=O)O)c1	59302328	BAAQORNHBIMQCH-NDENLUEZSA-N	428.444	4.518	50	40	IJGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C	409096019	JHVKAVIPHTWAIF-YVLHZVERSA-N	425.916	4.812	50	40	IJGB	
Cc1ccccc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CC(C)(C)CC2=O	1063238	MNZHZZMUKGOUMO-QFIPXVFZSA-N	428.492	4.844	50	40	IJGB	
C[C@H](C(=O)N/N=C/c1cccn1-c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1	8873941	QVHWACOHMNRQHW-XHCMJAMOSA-N	446.385	4.538	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)cc(Br)c2O)c1	59483968	HPIQNXVPENXGPP-SDQBBNPISA-N	436.103	4.771	50	40	IJGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1nc2ccc(F)cc2[nH]1	408566922	BMHKFDSAIRDSRI-WJDWOHSUSA-N	430.414	4.923	50	40	IJGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cn1	408570434	VAIPBVJJOUZXEE-ZSOIEALJSA-N	431.383	4.870	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408728063	HQCYTVXYKACRPG-LQKURTRISA-N	438.483	4.840	50	40	IJGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cccc(OC2CSC2)c1	1099992	POZXVZVHERIKQV-GZIVZEMBSA-N	441.405	4.871	50	40	IJGB	
CCc1ccc([C@@H](NNC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)s1	2273215	LKYXHFTVHRLHPC-VWLOTQADSA-N	442.584	4.957	50	40	IJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1	9320319	UTOHMDBMGFBVLG-WCTVFOPTSA-N	441.531	4.565	50	40	IJGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)NCc1ccco1	15223463	FSIAJBNMBRTOMH-LDADJPATSA-N	437.293	4.844	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)o2)cc1	16687894	IUDNTPLQAKCGAB-CVKSISIWSA-N	428.444	4.746	50	40	IJGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)NCCc1ccccc1	408813781	RFVIULQQQGCVPI-LFVJCYFKSA-N	430.511	4.827	50	40	IJGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)COc3cccc(N(C)C)c3)c3ccccc32)c1	409001328	PCTJLADBGYLZAO-NTFVMDSBSA-N	440.547	4.593	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc(C(=O)O)ccc4C)o3)cc2c1	409184008	HSXYBOAGNZOSAI-MXAYSNPKSA-N	432.432	4.862	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)cc2c1	409187224	NOLSYGUELKRXJQ-MXAYSNPKSA-N	446.419	4.691	50	40	IJGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc2nc(-c3ccc(Br)cc3)cn2c1	8855368	GYKKXKJKCBDNRJ-BHGWPJFGSA-N	437.272	4.667	50	40	IJGB	
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NNC(=O)Cc3ccccc3F)cc2)c1	13096479	LGYGMHATPAASQM-UHFFFAOYSA-N	434.511	4.840	50	40	IJGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Br	96130168	VOOSAOXYEDVYQY-NTEUORMPSA-N	427.689	4.834	50	40	IJGB	
Cn1c(/C(C#N)=C\c2sc(N3CCOCC3)nc2-c2ccccc2)nc2ccccc21	96663382	XKYSBZKFYFSFAV-SDXDJHTJSA-N	427.533	4.598	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)c1C	409261102	BDJYZUIXSQXRRK-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
COc1ccccc1NC(=O)/C(C#N)=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	409391482	ZUSVUJUAXUAJDH-FCDQGJHFSA-N	443.890	4.811	50	40	IJGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)SCCS1	1103945	PXHMQHIIBWGKOX-ZMOGYAJESA-N	427.570	4.865	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	2176389	MUAHGYMOTVCJCJ-ZVBGSRNCSA-N	446.128	4.684	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	6074175	HFXTYQITEZRVMW-FZIGORSYSA-N	446.912	4.548	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(C(=O)O)cc1	9280124	CNAJZMWDWYUYTK-UKTHLTGXSA-N	437.795	4.752	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3F)o2)cc1	13388111	WHNDJRMKBNBGTK-LFIBNONCSA-N	449.394	4.716	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2)c1	409049659	XPRCKLSQGIXHQF-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1OC	937083	NMKFVGNUBVOQQE-LSHDLFTRSA-N	447.969	4.723	50	40	IJGB	
COc1cc(-c2cc(C(=O)NN=C3CCCCC3)c3ccccc3n2)cc(OC)c1OC	9140607	LMGSRYVDXZMXFS-UHFFFAOYSA-N	433.508	4.978	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1	13810473	QHCNYAMGZWIVMZ-QNGOZBTKSA-N	443.503	4.825	50	40	IJGB	
Cc1cccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1	20247298	HSHJCQBARRTLND-OTUOEDBFSA-N	429.545	4.533	50	40	IJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1C	408612693	XACKWRLYUBWMKB-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccccc1Cl	408968161	UNAYXSORPXBQHY-UVHMKAGCSA-N	437.858	4.702	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccn1	2176745	VETPOUSMTYVIFM-WSDLNYQXSA-N	435.490	4.515	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	28216364	KGQGWDUIONCQGC-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1	33567063	LKLZDMQMXMUHLH-BRJLIKDPSA-N	426.879	4.609	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)/C=C/c2ccccc2Cl)cc1OC	408827169	GFPAPBGRRSOJPP-CCYFZYPBSA-N	449.732	4.839	50	40	IJGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408964099	BOUQAMPQHLTEJP-PDGQHHTCSA-N	445.466	4.825	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccccc3F)c2)cc1OC	409309636	KFZDLCNMELLYIZ-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(F)c(Br)c2)C(C#N)=C(N)O3)cc1C	664707	GTUHIYBSRIHWOS-QGZVFWFLSA-N	439.288	4.813	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(F)cc1	800406	SVCZIMCBFFSULP-XMMPIXPASA-N	432.451	4.727	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3Cl)c2[C@@H]1c1ccc(Br)cc1	985809	JSBVFIAWDKRGPE-OAHLLOKOSA-N	427.689	4.711	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1COc1c(F)c(F)c(F)c(F)c1F	8398985	ICXDKBIONFZOMG-SDQBBNPISA-N	441.352	4.828	50	40	IJGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Br)cc2)cs1	100843780	AALRSPAFCVEOFC-GXDHUFHOSA-N	425.311	4.648	50	40	IJGB	
C/C(N)=C(\C#N)C(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1	104362412	QIVNFERHOOLCHQ-SSZFMOIBSA-N	430.455	4.521	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)c(C)n1-c1ccc(Cl)cc1	408779891	MZZGSWYIQNTWQO-CGNBDSQZSA-N	440.938	4.955	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1	408813127	FGQKMUKVKLYGLJ-UCQKPKSFSA-N	442.515	4.815	50	40	IJGB	
Cc1cccc(C)c1Nc1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)s1	8686154	INYBOYMQOWDUMX-UHFFFAOYSA-N	434.550	4.833	50	40	IJGB	
O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	28296641	OHDVXVORNIDUSV-WPWMEQJKSA-N	439.475	4.666	50	40	IJGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	58913807	XRRKQXJEHOCKOZ-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COCCCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408819834	UFCKBJPPPNHPFH-LICLKQGHSA-N	449.334	4.641	50	40	IJGB	
N#CC(C#N)=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(Br)cc21	1320731	KYUWQMSFZXIEJH-UHFFFAOYSA-N	443.098	4.559	50	40	IJGB	
CC[C@@H](C)c1ccccc1OCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1OC	2150032	NRCCGLWIWBCICC-AZFHEMCLSA-N	447.535	4.825	50	40	IJGB	
CC(/C=N/NC(=O)CCCCC(=O)N/N=C/C(C)=C/c1ccccc1)=C\c1ccccc1	17097059	RTQBUBOGZYYOFB-YMAQYZRWSA-N	430.552	4.958	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccccc3O)c2C)cc1C	20243888	TTXBINHPPXOEKM-WYMPLXKRSA-N	440.341	4.943	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)cc2)cc1	38536884	LTHDIUBJMWFOSZ-CZSAIGQJSA-N	431.536	4.614	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1Br	408567771	PRUFIBFRYCUWCY-NHDPSOOVSA-N	428.242	4.690	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1	408744024	DFWWHMWBBJOWQJ-UNOMPAQXSA-N	432.451	4.968	50	40	IJGB	
N#C/C(=C\c1ccccc1)C(=O)Oc1c(Br)cc(C=O)cc1Br	408752511	JCZDYKQHXRSTOQ-AWNIVKPZSA-N	435.071	4.537	50	40	IJGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OC)c1OCc1ccccc1	408968742	YOPDZKFGFPCSQI-MUFRIFMGSA-N	443.478	4.777	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3nc4ccccc4o3)o2)cc1	8861809	SFFLCGAJMSWYFX-ZMOGYAJESA-N	449.488	4.507	50	40	IJGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1cccc([N+](=O)[O-])c1	9295776	JMXZTXJMMRDJPX-AUEPDCJTSA-N	449.414	4.507	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cc[nH]n2)cc1COc1cc(C)c(Cl)cc1C(C)C	9763693	WEGBGDAOVFBULX-RPPGKUMJSA-N	440.931	4.846	50	40	IJGB	
CCOC(=O)/C(C#N)=C1/SC=C(c2ccccc2)C(C#N)=C(N)N1c1ccc(C)cc1	16681995	BWTAZUUSWGIWGQ-BSYVCWPDSA-N	428.517	4.581	50	40	IJGB	
CCCCCn1nc(C)c(/C=N\NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1C	16739491	ZLGZQHAPOKLBSG-QQXSKIMKSA-N	428.540	4.997	50	40	IJGB	
O=C(N/N=C/c1c(-c2ccccc2)nc2sc(C3CCCCC3)nn12)c1ccncc1	41074133	UTOUNFDTHSETPX-MFKUBSTISA-N	430.537	4.664	50	40	IJGB	
C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCc2ccccc2)c(OC)c1	409337372	YBKRPOQKYGTYSG-YUMHPJSZSA-N	448.906	4.704	50	40	IJGB	
CCOc1ccc(C2=C(c3nc4ccccc4o3)[C@@H](c3cccnc3)C(C#N)=C(N)O2)cc1	12139496	MTRMHUIFQQWYAE-QFIPXVFZSA-N	436.471	4.998	50	40	IJGB	
COc1cccc(/C=C(\C#N)S(=O)(=O)c2cc(Cl)ccc2Cl)c1OC(F)F	12883679	RJHHEIOZDKWMHZ-KPKJPENVSA-N	434.247	4.942	50	40	IJGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCc1ccc(-c2ccccc2)[nH]1	40156782	WJXYZEYIWVLFQU-UHFFFAOYSA-N	430.533	4.507	50	40	IJGB	
COc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1	408580158	AQNQDYKJAJYRKU-XSFVSMFZSA-N	435.501	4.844	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nnc1-c1ccc(C(C)(C)C)cc1	1835805	GOAQMZOZCJAAFV-AFUMVMLFSA-N	439.560	4.644	50	40	IJGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	2310716	KURXMEVVMJABOR-NRFANRHFSA-N	449.576	4.919	50	40	IJGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	3097421	ADIOZEDDDUXDEQ-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCCCc1ccc(-n2nc3ccc(NC(=S)NC(=O)CCCCl)cc3n2)cc1	9906684	LJDRTJONJWMPRZ-UHFFFAOYSA-N	429.977	4.595	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1	100062734	RHQXNFFUKQETDQ-YSMPRRRNSA-N	448.320	4.593	50	40	IJGB	
N#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408844210	BNERFOHQJIAMFF-YVNNLAQVSA-N	432.661	4.515	50	40	IJGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1	409004715	YECQKNQGTHICFC-UJUJBVAOSA-N	449.938	4.750	50	40	IJGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SCCS1	409227023	WZIDPKWDVIDCEQ-VXLYETTFSA-N	425.919	4.545	50	40	IJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Br)cc1	409355711	KGYKJTOTKFCYOH-ZMOGYAJESA-N	426.314	4.563	50	40	IJGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Br)c2)c1C	409370201	MVDPBXKQXDEUNM-ODLFYWEKSA-N	437.341	4.952	50	40	IJGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3ccccc3Cl)o2)cc1	703891	KFYCFEQDXJKNSW-FQEVSTJZSA-N	437.908	4.909	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3OC)o2)cc1	1516483	BVRLTJZNGJYTCO-XMHGGMMESA-N	430.460	4.986	50	40	IJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	3582446	KQBWWUTUFCKFJL-PXLXIMEGSA-N	426.472	4.906	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(OCC)cc4)CSC3=C2C#N)cc1	9408639	KSCLAXNEGOXYNB-NRFANRHFSA-N	435.549	4.703	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OCc1ccccc1	30843305	XMYYNELYDRKSOK-YUMHPJSZSA-N	432.520	4.810	50	40	IJGB	
C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(C)c([N+](=O)[O-])c1	96399814	YZJMPQUPQFMWGC-ONUIUJJFSA-N	449.536	4.756	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	223150729	VQOPWAKUFLRFGV-RMORIDSASA-N	436.682	4.996	50	40	IJGB	
CC(=O)c1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1	1801227	GLMBTRFUCBZHHH-HZPDHXFCSA-N	425.120	4.727	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccccc1F	15224818	HSKTZIBHECMAED-STZFKDTASA-N	426.495	4.980	50	40	IJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1	58883477	XVDYFQXMXOQWLN-OPEKNORGSA-N	425.838	4.745	50	40	IJGB	
Nc1cccc(P(=O)(c2cccc(N)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	59684495	NGEFYZJAXKOCIQ-UHFFFAOYSA-N	444.315	4.528	50	40	IJGB	
Cc1ccc(C(=O)[C@@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98042964	SSQDRHZJNOWMOD-GJZGRUSLSA-N	427.092	4.986	50	40	IJGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)c1ccccc1	408977831	FVHCZTCITGHDLF-FXZATJRASA-N	446.551	4.730	50	40	IJGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1	408980695	SJCSSCXSCPPLQS-BYEYKRMRSA-N	445.519	4.593	50	40	IJGB	
COc1ccc(-c2n[nH]c(C(=O)N/N=C/C(Br)=C/c3ccccc3)c2C)cc1	4112972	TYAOVDKJGZQKHD-BZGQBJAUSA-N	439.313	4.545	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc2c(c1)OCO2	15231362	NOYHRJHOLCVTMW-GATIEOLUSA-N	435.867	4.986	50	40	IJGB	
O=C(NNc1nc(-c2ccccc2)no1)C1(c2ccc(Br)cc2)CCCCC1	1586286239	PNCBYZDMSRNUMK-UHFFFAOYSA-N	441.329	4.844	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	9200861	NPNXESCYYSPWTH-MFKUBSTISA-N	433.464	4.645	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccc(I)cc2)c2ccccc2n1C(C)C	10118673	IZDQIDMKHYWQIX-WSDLNYQXSA-N	445.304	4.899	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(Br)c1O	59921087	VBPDRCOKZIEFLS-DNTJNYDQSA-N	432.101	4.624	50	40	IJGB	
[O-][n+]1ccc(N/N=C/c2ccc(N(CCCl)CCCl)cc2)c2ccc(Cl)cc21	104208385	LMWGSESPHSFKCN-ZVHZXABRSA-N	437.758	4.857	50	40	IJGB	
Cc1ccsc1/C=N/NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1	8721538	APOOBICBUCUBRB-UUVZMSSXSA-N	435.574	4.595	50	40	IJGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	9204404	QDKOOHNEKDPUQB-AFUMVMLFSA-N	441.300	4.860	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NC1CCCC1	9635621	QKWAYHAPPZNACM-LDADJPATSA-N	425.326	4.994	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2SC(F)F)c1C	10189196	OOSWDRXCOPFGRH-GZTJUZNOSA-N	447.507	4.919	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc(OC)c1OC	16195191	PVRWOWNJZJVGMT-MFKUBSTISA-N	436.533	4.769	50	40	IJGB	
CCN(CC)c1cc(OC)c(/C=C(\C#N)C(=O)NC2CCCCC2)cc1Br	20608639	HDAFUGCQCVFXSN-LFIBNONCSA-N	434.378	4.660	50	40	IJGB	
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C3/CCCc4ccccc43)c2)c(C)c1	95950566	DASDDZSOZAFJSL-LCUIJRPUSA-N	447.560	4.575	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409008304	VOWJPWJNKLOPKV-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(-c2ccc(C)cc2Br)o1	409247738	NMVAXZRTHOWUCS-FMCGGJTJSA-N	443.297	4.555	50	40	IJGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	3088762	MSAXLRAXUOHIEZ-AFUMVMLFSA-N	438.936	4.943	50	40	IJGB	
COc1cccc(COc2ccc(C(=O)N/N=C/c3ccc(Br)s3)cc2)c1	3174927	UQYIGBDGDBVUBI-WSDLNYQXSA-N	445.338	4.862	50	40	IJGB	
CC(C)(C)c1ccc(OCCCOc2cccc(/C=N/NC(=O)c3ccncc3)c2)cc1	9969772	UDDUFKQXYBCFGA-TURZUDJPSA-N	431.536	4.991	50	40	IJGB	
C/C(O)=N/S(=O)(=O)c1ccc(-c2ccc(/C=N/C3=C(C#N)[C@H]4CCC[C@@H]4S3)o2)cc1	16321122	QTLVWIAGRNFEEE-GRQGUZBNSA-N	441.534	4.681	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(Br)c1OCC	408755211	ISNVSENBHYJSGA-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cccc(Br)c3)o2)cc1	408810066	JUUQWXKSMJSKBW-ATVHPVEESA-N	437.293	4.941	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cc2ccccc2F)c1	408869559	SOHHWUSEAOQCCF-YBFXNURJSA-N	431.423	4.879	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1	409312029	IXJUUUOPOTWUSX-KRWDZBQOSA-N	428.941	4.890	50	40	IJGB	
O=C(CCCC(=O)N/N=C/c1cccc2ccccc12)N/N=C/c1cccc2ccccc12	1691870	URXHLXBUXFBJPW-UOSOPFLXSA-N	436.515	4.764	50	40	IJGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1F	33483369	DKUHBGQZXKBALP-PGMHBOJBSA-N	429.495	4.860	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1I	35352618	DJIAIRHNEMRVCV-DHDCSXOGSA-N	432.217	4.828	50	40	IJGB	
Cc1cc(C)nc(NNC(=O)c2ccc(Oc3ccc(Oc4ccccc4)cc3)nc2)n1	40145248	DFBXOULEFHDZPL-UHFFFAOYSA-N	427.464	4.830	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1	107926274	RYXZBUOQVLOCID-FSJBWODESA-N	440.297	4.740	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OCc1ccccc1	408544865	VRMWGWKGHXHCLX-NDENLUEZSA-N	428.444	4.518	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1cc(OC)ccc1OC	408797064	FOTFUFORENSALO-MIQLPHMESA-N	438.524	4.503	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(C)cc1	408887490	OVZRLVFASSDBAD-FYJGNVAPSA-N	442.471	4.827	50	40	IJGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccc(C(=O)O)cc1	408890287	QVZHHGGJMIFECB-LDADJPATSA-N	446.846	4.803	50	40	IJGB	
Cc1cccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c1C	408908131	UCFQVQZFHDJAIP-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409062805	BAEJFTKNTZOCHJ-BUVRLJJBSA-N	435.436	4.576	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccccc1C(=O)O	409210135	DXPCITLNZOEPSO-BRJLIKDPSA-N	435.867	4.956	50	40	IJGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1453290	VXHXNBIZFVCTCD-DTQAZKPQSA-N	431.404	4.577	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1	2162204	PBVQJXWLMSSUSI-BRJLIKDPSA-N	448.470	4.997	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	2310738	VSGJSHFBZYOPOK-MRXNPFEDSA-N	432.332	4.704	50	40	IJGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C(C)=O)cc1OC	2312834	IZTNPNOJSAEBQM-XNTDXEJSSA-N	449.488	4.735	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1OCC	408569902	QXMUWTRQEPHLFU-AUWJEWJLSA-N	443.862	4.760	50	40	IJGB	
CC(=O)c1cccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)c1	408749873	JTDIDCSAGAYUHW-VEILYXNESA-N	438.483	4.535	50	40	IJGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)c1	408913537	LQBUXMDPLBAPLK-VYYCAZPPSA-N	447.535	4.501	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3Cl)=C2C#N)cc1	409330580	BENAYFOARSQYRD-HNNXBMFYSA-N	443.981	4.772	50	40	IJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	3258892	UNUPSWMEELXTGR-GXDFBKAQSA-N	440.499	4.837	50	40	IJGB	
CCOc1c(Cl)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	4209638	UFGYNIPVWKJBMJ-CVKSISIWSA-N	443.330	4.778	50	40	IJGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3cccc(Cl)c3)o2)cc1	12042989	ZDUBMXMZOHGYCI-HXUWFJFHSA-N	437.908	4.909	50	40	IJGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1ccc(Cl)cc1	16735506	AMCVWHVJTNRZGD-JQIJEIRASA-N	442.862	4.686	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1ccc(F)cc1	59334818	JFHBHQBKVQUTMV-WQRHYEAKSA-N	443.316	4.891	50	40	IJGB	
N#C/C(=C/c1cccn1-c1ccc(I)cc1)c1ccc(C(=O)O)cc1	408544140	SIVXPHBDYWPOPR-VBKFSLOCSA-N	440.240	4.844	50	40	IJGB	
CCN(CC)c1cc(OC)c(/C=N/NC(=O)c2cccc(Cl)c2)cc1Br	408723281	SOQIDLHJLDAXQA-WSDLNYQXSA-N	438.753	4.721	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc([N+](=O)[O-])c1	408740713	DOTOBUSZQBQZJV-UNOMPAQXSA-N	429.432	4.728	50	40	IJGB	
Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccccc3Cl)c(Cl)c1)C(C#N)=C(N)O2	409144511	OFPYGBFZRXTSOY-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	409273111	VLXZDHOUFVBISL-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)c1	3140521	QAVUPBMYQQHGOY-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
N#CC(C(=O)CSC(=S)N1CCC(Cc2ccccc2)CC1)=C1Nc2ccccc2N1	8683437	BPXSRTAGBYPETE-UHFFFAOYSA-N	448.617	4.801	50	40	IJGB	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3ccc([N+](=O)[O-])cc3)C3=C2C(=O)CC(C)(C)C3)c1	9350489	OIJWSBFCLAHJRX-JOCHJYFZSA-N	444.491	4.544	50	40	IJGB	
O=C(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	59301486	JKKXNKBRXVZRAQ-UHFFFAOYSA-N	448.053	4.720	50	40	IJGB	
CCCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)c(Cl)c1	408706554	BJXLIIBBFFVMIW-DHRITJCHSA-N	435.355	4.802	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	409195375	ICZYALLBRTWQDJ-CXUHLZMHSA-N	439.924	4.731	50	40	IJGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	245226716	JGZLWBWLHFZSFN-BVNRNSLPSA-N	446.301	4.894	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1	408883245	UKHHVZRDFXOFHU-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
CC(=O)N/N=C/c1cc(C)n(-c2ccc(OCc3ccc(Br)cc3)cc2)c1C	409009594	GQDFYIBVQBTSRU-ZMOGYAJESA-N	440.341	4.906	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NN=C3CCCCCCC3)cc2)cc1	409148443	YSMFRUDSMZEVRV-UHFFFAOYSA-N	427.570	4.650	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1	409234986	AELLIHAXMRZGST-ZMOGYAJESA-N	428.305	4.689	50	40	IJGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c1	409364118	NCFPZMRTAHWFLC-VULFUBBASA-N	448.320	4.972	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc(Br)c1OC(C)=O	867570	SUYBEMJHABEBQP-LZYBPNLTSA-N	443.297	4.546	50	40	IJGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	9948623	MROCWVXWUIRPSS-YVNNLAQVSA-N	434.235	4.691	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1OC	10004066	MXYONKMBNKVENP-RWPZCVJISA-N	445.494	4.539	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccc(C)cc1	23723547	JFWYNNUMQVRGEZ-QGOAFFKASA-N	445.500	4.712	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)c1	59445246	SNHAKTKZEHNONM-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1	408787759	FUZGNOZTUWPCBT-PXLXIMEGSA-N	426.472	4.906	50	40	IJGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1OC	2286629	LLPYDQQFTCMQSA-OYHNWAKOSA-N	436.895	4.566	50	40	IJGB	
CCC[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cc(Br)ccc1O	2674570	DSLJOXWSUWDKAV-LASGFXPTSA-N	425.710	4.506	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c(Cl)cc1OC(C)C	6015162	WCMXPXNVOVIWIQ-IBGZPJMESA-N	436.899	4.744	50	40	IJGB	
CC/C(=N/NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2	8454763	RSYPGRYDAVPQDX-DEMIQAHCSA-N	446.227	4.981	50	40	IJGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2c(Cl)cccc2Cl)C1=O	13573556	YMZUUBXTYVYAPI-INIZCTEOSA-N	443.315	4.729	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC	209642944	TUDFXDJQFSMFKK-ZROIWOOFSA-N	431.261	4.707	50	40	IJGB	
CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	408852122	CKRMGCIOBHKKAM-UUYOSTAYSA-N	431.286	4.757	50	40	IJGB	
ClCCN(CCCl)CCn1cnc2c(SCc3ccccc3Cl)ncnc21	1730564	HLJJSNWSSYUGDR-UHFFFAOYSA-N	444.819	4.552	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccccc1	8735741	XFUZMHPWVJFOED-QNGOZBTKSA-N	428.608	4.771	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	13284108	QDPZSCAILUFXLI-LJQANCHMSA-N	430.957	4.701	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C#N)cc3)c(OCC)c2)cc1	20764798	BTYVIOIBVFMXOK-OGLMXYFKSA-N	443.503	4.699	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cc4ccccc4o3)c2)cc1C	33579962	LGWVWFJFXQOCMP-DICXZTSXSA-N	441.487	4.831	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1cccc([N+](=O)[O-])c1	59427275	KJQPJEUQPFJBPT-WGOQTCKBSA-N	426.476	4.848	50	40	IJGB	
COc1ccccc1NCC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	67197084	NTDHIVQQXNTHLV-LQKURTRISA-N	426.520	4.569	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C	408646414	IVKWLWZGCGUCHX-FXAWDEMLSA-N	448.346	4.733	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c1C	408692657	RTGBQGXZLGGPSF-BRJLIKDPSA-N	439.903	4.526	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Cl)cc1	408779893	MZZGSWYIQNTWQO-KQOOCWMGSA-N	440.938	4.955	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1OCc1ccc(Cl)cc1	409083756	VQKNYCLRQXKHLW-CFRMEGHHSA-N	439.855	4.600	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)c(Br)c1	409159074	ZATOFXAEXIICRQ-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)N(Nc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1C	621934	STNYELDWIUTYMA-QHCPKHFHSA-N	428.536	4.767	50	40	IJGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1C	9605754	ITVNUWREZJIPTI-PCLIKHOPSA-N	442.515	4.751	50	40	IJGB	
COc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1	408761736	HCTCGLHNNPDZHT-RWPZCVJISA-N	442.437	4.986	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(C)c(Cl)c2)cc1	408782358	HVJFUYXYMJKMLF-UHFFFAOYSA-N	447.988	4.588	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2OC(=O)c2ccc(Cl)cc2)cc1	409218515	JHRUSNZFTHPUEY-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
O=C(CCCC[C@H]1CCSS1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1	575615202	BSDCHSUKNWGUMW-YJBOKZPZSA-N	448.075	4.742	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccccc2Cl)nnc1-c1ccc(Cl)cc1	1295027	HVBQZQCVDCHSHD-SSDVNMTOSA-N	434.352	4.514	50	40	IJGB	
CCOC(=O)C1=C(CSc2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	1399144	HJHBYXHCCCAVKR-IBGZPJMESA-N	426.925	4.757	50	40	IJGB	
O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1ccc(Br)cc1	3084139	KJGFUBIESCBADD-UFFVCSGVSA-N	443.128	4.625	50	40	IJGB	
CCNc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1[N+](=O)[O-]	14356746	LJCREMDTEZRBFC-JVWAILMASA-N	441.491	4.949	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	209643043	KNQJZSVAGDAJLR-ZROIWOOFSA-N	431.261	4.707	50	40	IJGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C	408817963	XELXYFPABGQZOS-XNTDXEJSSA-N	429.701	4.969	50	40	IJGB	
O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N/N=C/c1cccc(Br)c1	409001062	GHWPWTDGWGZEMO-JBGDTLJESA-N	448.320	4.865	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1C(=O)O	409210269	IZXFAZVCXWNTDF-RPPGKUMJSA-N	429.398	4.575	50	40	IJGB	
O=C(Cc1csc(NC(=O)c2ccccc2)n1)NN(Cc1ccccc1)c1ccccc1	32256269	YDKUJXQGMRHBIX-UHFFFAOYSA-N	442.544	4.676	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)Nc1cccc(C(=O)O)c1	33517396	VXOBYKMGJRGTCJ-NTEUORMPSA-N	436.807	4.542	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	408796731	PRRDEURGYGGEKX-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408976974	UDCDHVQFUMWOJG-UVHMKAGCSA-N	445.906	4.765	50	40	IJGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408995519	ATEODOAURJIXIX-HZHRSRAPSA-N	446.960	4.871	50	40	IJGB	
C=CCc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	9305996	NYZZAZPHKNNQPM-ZGUVFNMESA-N	437.323	4.744	50	40	IJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccccc1	33339415	QKTDFUUSNRRRLD-QNGOZBTKSA-N	449.470	4.671	50	40	IJGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C\c1ccc(O)c(OC)c1	33339741	CZYYREQPVVSTNX-BOPFTXTBSA-N	448.500	4.852	50	40	IJGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	408610925	PAFYPJCMIOOVQM-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cc([N+](=O)[O-])ccc1O	409041124	ILDLTMNFEMCDHY-BRJLIKDPSA-N	448.866	4.721	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2)cc1	409224678	LWEPSJIRMQUPLY-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
CN(C)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1Br	409392322	OZNKIYCFDUPDOH-XYGWBWBKSA-N	436.353	4.797	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3O)n2C2CCCCC2)cc1	1881282	KYOYBEJIHHTUBT-MFKUBSTISA-N	449.580	4.707	50	40	IJGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	8386008	HGBDYEWHWAZWKA-NLRVBDNBSA-N	442.556	4.972	50	40	IJGB	
CC/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1	12418201	DHAKPBUQQIBNQU-XTCLZLMSSA-N	441.560	4.957	50	40	IJGB	
COc1cc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)ccc1OCc1ccccc1	18148589	LJYSHADUERCPID-JFLMPSFJSA-N	444.466	4.567	50	40	IJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2CN(Cc2ccccc2)[C@@H]1c1ccco1	20624430	XXJZGWOFJRJWBI-DEOSSOPVSA-N	428.561	4.995	50	40	IJGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)c(C)n1CC(F)(F)F	58393427	GZMPUZLZWOUALT-MLPAPPSSSA-N	427.220	4.925	50	40	IJGB	
COc1ccccc1C(=O)N/N=C\c1ccccc1OCc1ccc(Br)cc1	83319321	FJUSCCHUVGUKNA-OYKKKHCWSA-N	439.309	4.801	50	40	IJGB	
CC(C)Oc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Br	408904323	HXZOHOIGZMGHOO-FBHDLOMBSA-N	446.257	4.655	50	40	IJGB	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1	409219093	NDAALDIVEHWOLJ-QXXZEVIWSA-N	449.850	4.631	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)c(C)c1	409259786	FICNZSLFOAYKRW-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)c(C)c1	409264006	JZZMSVFQRDUCDW-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccc(Cl)cc1	409312462	LHDCWKQBAQPHJC-INIZCTEOSA-N	432.332	4.704	50	40	IJGB	
CCOc1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)cc1	1741301	XRWUSUOKYGNNCY-HZPDHXFCSA-N	427.136	4.924	50	40	IJGB	
COC(=O)c1cc(OC)c(OC)cc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	1832639	HXIMZBSXAPHXLA-SDNWHVSQSA-N	439.468	4.730	50	40	IJGB	
CC(=O)C1=C(C)NC(SCC(=O)NC2CCCCC2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	6137102	OYLWGTGLQQZLKM-QFIPXVFZSA-N	444.000	4.807	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1	8837395	JPGVRRNUQUIJTR-ODLFYWEKSA-N	438.987	4.709	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)c2C)c(C)c1	32115731	AJOVTHDNCPOLAH-FYJGNVAPSA-N	443.503	4.743	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl	58871255	ZJBGTQKBDNMYGN-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2cc3ccccc3o2)cc1	408952718	VOSXOZIVUZBRBW-YSMPRRRNSA-N	427.460	4.523	50	40	IJGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccc([N+](=O)[O-])cc1	4090439	DYHBLDMWWJFQQX-AUEPDCJTSA-N	449.414	4.507	50	40	IJGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(CSc2nc3ccccc3[nH]2)cc1	9443628	FVBWHJDHLCBWCH-UHFFFAOYSA-N	436.924	4.583	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	13382086	BVSAYBPPKARVQN-XSFVSMFZSA-N	449.507	4.928	50	40	IJGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1	13757297	HLGMSXUEFZHPAQ-HMMYKYKNSA-N	438.487	4.599	50	40	IJGB	
CCN1C(=O)C(C#N)=C(C)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)C1=O	16741520	VDHVQUXDBZKJGK-MTJSOVHGSA-N	440.478	4.599	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1OC	33735864	ZQPWEGIGTXUAAS-ICXMQADFSA-N	425.312	4.708	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3OC)o2)cc1	35124875	NPAYODITYALQBT-CVKSISIWSA-N	428.444	4.659	50	40	IJGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3)c2)cc1	59473691	FFLUJBMYEJJJGQ-OVVQPSECSA-N	447.560	4.721	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc(Cl)c1OC	108006445	KFCUXPXQASYTEZ-UFFVCSGVSA-N	433.873	4.634	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	109033356	NNPCMAREPPPKGO-JJFYIABZSA-N	427.551	4.558	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)Nc2ccc(Br)cc2)o1	408960780	IWZGDGBFBDGNQF-JJFYIABZSA-N	442.269	4.871	50	40	IJGB	
C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(OC(F)F)cc3OC(F)F)cc2C1	3413758	AZSLCDTZYPOTBL-CTWDJJQWSA-N	430.423	4.840	50	40	IJGB	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	33579580	ZZKLLWYMBHCHHU-JCMHNJIXSA-N	449.514	4.938	50	40	IJGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	408758635	OGPPISJQITUKKS-JFLMPSFJSA-N	426.394	4.617	50	40	IJGB	
O=C(NN=C1CCCCCCC1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	408855289	BWHMCLKURSHQSD-UHFFFAOYSA-N	432.612	4.835	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1	408888350	UPKDMSVYBPAKHD-XDHOZWIPSA-N	429.432	4.728	50	40	IJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)C[C@@H](NC(=O)OCC)c1ccccc1	408978060	GVEZWNJYTSHZBE-MORQCWLFSA-N	447.535	4.956	50	40	IJGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C(=O)O)cc1	409065858	NVZFXBHBBQCSKZ-UDWIEESQSA-N	430.416	4.945	50	40	IJGB	
O=C(N/N=C\c1cccc(O)c1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408726907	CUBJWCNQOJDQPE-PPDIBHTLSA-N	425.410	4.695	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408891398	QBBMLTISIIVVFE-FMIVXFBMSA-N	438.783	4.962	50	40	IJGB	
O=C(NNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Br)cc1	684901	CKYNUZBMTRIAPE-UHFFFAOYSA-N	446.304	4.739	50	40	IJGB	
Cc1cccc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3c2c(C)nn3-c2ccccc2)c1	6188312	WJXPLUYOMQNCMR-MUFRIFMGSA-N	446.514	4.863	50	40	IJGB	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccnc3)c3cc(C)ccc3n2)cc1OC	15933685	IWLFGYFKYSZPOB-STBIYBPSSA-N	440.503	4.776	50	40	IJGB	
COC(C)(C)CCOc1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1	20133487	AMXFFZSZXWDLNH-OAHLLOKOSA-N	429.380	4.848	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)cc1	27532495	BMCUBQOJMICDEF-QGOAFFKASA-N	445.431	4.886	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1cccc2ccccc12	408735433	RTHKIEMALSXWPQ-CLMUKVTESA-N	442.515	4.630	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1	408794502	JKSRQCMNGXPYOR-XSFVSMFZSA-N	430.435	4.737	50	40	IJGB	
COc1cc(Cl)c(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408856618	KWPITQMPGCKORA-NKVSQWTQSA-N	437.677	4.630	50	40	IJGB	
Cc1c(Br)cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1Br	408879943	HWZOETFMNCJHFS-OEVDYWMNSA-N	428.168	4.796	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)[C@H](O)c1ccccc1	409142678	FNJVZAMYPQGMMH-RNRKLAHPSA-N	429.303	4.756	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc(Br)cc3)c2C)cc1	409217261	OJHAJMFTRRMNQJ-QRVIBDJDSA-N	426.314	4.629	50	40	IJGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	409317006	OAFPRNZAFLNFMB-KRWDZBQOSA-N	425.941	4.667	50	40	IJGB	
Cc1ccc([C@]2(O)CSC3=C(C#N)[C@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1	12275448	HHKDHQXLEGRPJT-LAUBAEHRSA-N	430.451	4.657	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccc(-c2ccccc2)cc1	408734184	FKICGALFLVBUBW-MKWGYRPRSA-N	425.532	4.963	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Br)c2)cc1	408747060	YRGAHZWARCFURS-JYRVWZFOSA-N	446.688	4.559	50	40	IJGB	
N#C/C(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NC[C@@H]1CCCO1	409199609	ICOMWEIFOZRZIG-RRXSNJIPSA-N	449.938	4.576	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	409232014	MQKGBHJKPBMCJA-CEZZIEKDSA-N	427.504	4.665	50	40	IJGB	
N#CC1=C(N)N(c2cccc(Br)c2)C2=C(C(=O)CCC2)[C@H]1c1cccs1	716437	JKTITWYHZOVYMW-GOSISDBHSA-N	426.339	4.815	50	40	IJGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)CC(=O)N2C1	12251129	CCFKNQZVPWCBID-INIZCTEOSA-N	440.912	4.776	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2cccc(Cl)c2)cc1Br	20244001	SHUCOPQSLXFNJJ-CIAFOILYSA-N	441.778	4.885	50	40	IJGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1Cl	59679023	MOUPTNMMEFEVNG-WZUFQYTHSA-N	425.655	4.656	50	40	IJGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	408766767	ROXNTNOVRFZDNP-GHXNOFRVSA-N	436.103	4.766	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)o2)c(C)c1	409234144	MIMRIBJFZTUKCE-PGMHBOJBSA-N	428.488	4.698	50	40	IJGB	
CC(C)Oc1ccc(Br)cc1[C@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	679066	LYNQVYBVZMTBAZ-OXQOHEQNSA-N	437.341	4.830	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1	857398	UOKKKAIOXSNNFS-QHCPKHFHSA-N	430.504	4.725	50	40	IJGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(OC4CCCC4)c2)C(C#N)=C(N)O3)cc1	8382688	ILLNZVATNDCQMG-NRFANRHFSA-N	428.492	4.625	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nn2-c2ccccc2)cc1	408726018	RJAOELSQLQYBRK-PCLIKHOPSA-N	425.448	4.520	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)cc1	408745545	NQCLSLZJXOQHGR-PDGQHHTCSA-N	446.463	4.565	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3C)c2)cc1	408766922	WYRKDJGHUKMVPW-XSFVSMFZSA-N	432.501	4.617	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)cc2c1	409188009	WGZAZKKRCVLMIT-MXAYSNPKSA-N	432.432	4.862	50	40	IJGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1cccc(OC(=O)c2cccs2)c1	989486	ZHHSNVYYPVQBSM-FOKLQQMPSA-N	449.315	4.803	50	40	IJGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	1068934	ZHAQDPOQWSLGPQ-AUEPDCJTSA-N	437.714	4.670	50	40	IJGB	
COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1	1239407	WVADTOIOIWAMJD-SFQUDFHCSA-N	433.489	4.668	50	40	IJGB	
CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1	9375245	YDGVOROBSKBLLP-WGOQTCKBSA-N	428.492	4.878	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccs1	9693388	NYXQXNLWIVMFGP-AWEZNQCLSA-N	432.368	4.730	50	40	IJGB	
Cc1c(Br)cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)cc1Br	408879946	HWZOETFMNCJHFS-YXWRCMOWSA-N	428.168	4.796	50	40	IJGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2ncnc(N)c12	408972884	HIJRQDTWQHKTJC-JRXWSOMVSA-N	446.319	4.913	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1ccc(C)c(Cl)c1	409015693	RUUBNWUHKOMUQU-FSJBWODESA-N	446.732	4.974	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)cc2c1	409183949	GROJZBIDHDUMJO-QFEZKATASA-N	432.432	4.642	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Br	409187090	LWJVOWWZFSQOMK-QRVIBDJDSA-N	443.297	4.923	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)cc2)c1	409272145	OYBFWSHSACQRSS-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)cc1	409303444	MXWINTDUVUOLCP-IMRQLAEWSA-N	430.504	4.993	50	40	IJGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	2571022	PPUTTYGJWPCBLI-ZMOGYAJESA-N	440.912	4.962	50	40	IJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c([N+](=O)[O-])c1	9045040	SDXDAOKJGSJLSL-SDNWHVSQSA-N	446.444	4.810	50	40	IJGB	
COc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	408878381	AFIVGMFMVRKPCA-YVNNLAQVSA-N	434.235	4.934	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1	409240279	PIXPTZJEQPVJAW-ULJHMMPZSA-N	441.531	4.537	50	40	IJGB	
O=C(CSc1nc2ccccc2cc1Cc1ccccc1)NNC(=O)C1CCCCC1	1339873	ZIONQNBCZZHJCL-UHFFFAOYSA-N	433.577	4.645	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(Cl)cc2)c(OC)c1	1904092	RTSJBLAYKBWEMT-GHRIWEEISA-N	443.883	4.583	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1cccs1	9110600	IWOVUXVIPXENFE-NSHDSACASA-N	438.361	4.765	50	40	IJGB	
Cc1ccc(Cn2cc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])c3ccccc32)cc1	33730280	WHLOXILJVQRNMF-YSMPRRRNSA-N	426.476	4.599	50	40	IJGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	59255442	ZFVPUZAXUFBHNH-RIYZIHGNSA-N	430.258	4.690	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc([N+](=O)[O-])ccc3F)n2)cc1OC	100843711	IBBAENDSOXOUHO-JLHYYAGUSA-N	426.429	4.851	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(I)c1O	408544728	XFJNBZYXGOQVKR-AWNIVKPZSA-N	445.260	4.563	50	40	IJGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2cccnc2)c1Cl	408807540	CQWUTNRUBJFXRW-BHGWPJFGSA-N	447.278	4.666	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1C	408913150	SUDYPZQDCKTBMH-JVWAILMASA-N	440.503	4.655	50	40	IJGB	
Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1	408999157	STVKWFAJXYJJLF-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccc(Br)c1	1440391	LTSUUBAKXQVPJH-OAHLLOKOSA-N	427.689	4.711	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1	20110800	MPJUGKPXKBTFDV-UYRXBGFRSA-N	430.464	4.947	50	40	IJGB	
O=C(CCCC[C@H]1CCSS1)NC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1	96114642	CNWKJYDAXMXHLM-SFHVURJKSA-N	431.627	4.603	50	40	IJGB	biogenic
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408779693	HZEQTBSILJPLMG-ZMFRSBBQSA-N	444.413	4.714	50	40	IJGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408925652	SNWWXEMTQJWISD-QGOAFFKASA-N	446.846	4.803	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cn(CCC#N)c3ccccc23)sc(C)c1C	1803653	ZIJJAXWLIVWHGJ-SFQUDFHCSA-N	446.532	4.956	50	40	IJGB	
CCOC(=O)N/N=C/c1cn(CCOc2ccc(Br)cc2)c2ccccc12	2439950	GFEABWJOLIJVCR-LPYMAVHISA-N	430.302	4.563	50	40	IJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1	3236805	QSDSEAMAEPWQTK-DTQAZKPQSA-N	445.304	4.683	50	40	IJGB	
CCOc1ccccc1N1CSC2=C(C#N)[C@H](c3ccccc3Cl)CC(=O)N2C1	9693164	NOATVXCHYJBHEL-INIZCTEOSA-N	425.941	4.958	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1	9934439	PPLWGXIZXYNROV-WSDLNYQXSA-N	440.799	4.713	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2Cl)cc1Br	20244000	AZLDZWZTEJAXRX-CIAFOILYSA-N	441.778	4.885	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(OCC)cc3)c2C)c1	408964582	CUNHFKIUVRRTHC-QQXSKIMKSA-N	448.523	4.825	50	40	IJGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1cccc(I)c1	409122934	CXBZQYXLZBYTJW-XSFVSMFZSA-N	438.334	4.622	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2)cc1C	409264090	JOZZTOIZROQRSN-DEDYPNTBSA-N	441.487	4.572	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(C)cc3)c2)cc1OC	409309823	MVWBZOUGJUJLOZ-PKAZHMFMSA-N	430.504	4.911	50	40	IJGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3cccc(F)c3)s2)cc1	1820428	NHZOYAJGGUIBON-UFFVCSGVSA-N	432.571	4.520	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	9261739	MDEOLWJYGDZZRY-XNTDXEJSSA-N	437.839	4.740	50	40	IJGB	
CCc1nc(N2CCN(C(=O)CCCl)CC2)c2c3c(sc2n1)C[C@@H](C(C)(C)C)CC3	12639290	FSGKJSLLFFFIAB-HNNXBMFYSA-N	449.064	4.682	50	40	IJGB	
O=C(N/N=C\c1cccc(OCc2ccccc2)c1)[C@H]1COc2cc3ccccc3cc2O1	30734300	UDEMVASRFKDHDL-QRCUYYNASA-N	438.483	4.709	50	40	IJGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409186441	CAJHAQCFMMJJST-NHDPSOOVSA-N	431.857	4.522	50	40	IJGB	
CC(C)Oc1ccc(Br)cc1[C@H]1[C@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	679068	LYNQVYBVZMTBAZ-OXJNMPFZSA-N	437.341	4.830	50	40	IJGB	
O=C(OC[C@H]1CO[C@@](CBr)(c2ccc(Cl)cc2Cl)O1)c1ccccc1	1253775	OXUPOIXSQGXRGF-KBXCAEBGSA-N	446.124	4.814	50	40	IJGB	in-vitro
Cc1[nH]c2ccccc2c1/C=N/NC(=O)COc1ccc(Br)c2ccccc12	1434275	HGQPSNYMSHLLAT-WYMPLXKRSA-N	436.309	4.921	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1	3248443	ZLVKHXOFTMLHJM-FQEVSTJZSA-N	449.576	4.721	50	40	IJGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	12529498	UNXIUJSUIYZZTO-UHFFFAOYSA-N	430.719	4.967	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cccc(C)c3O)ccc21	15133864	JPWSVQMQQRDNHC-OGLMXYFKSA-N	442.519	4.963	50	40	IJGB	
COc1cc(OC)c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1Br	33333864	FUYMCNVPRPHFJR-ZBKNUEDVSA-N	432.101	4.537	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)cc1OC	408726551	CCSVUNKPBIOETJ-ZMFRSBBQSA-N	435.911	4.641	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OCC)cc2Br)cc1	408743224	FFTLICKRXZFJQP-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cc3ccc(C)c(C)c3nc2Cl)C(C#N)=C(N)O1	899065	BQQOUOYJTIRPDN-SFHVURJKSA-N	425.916	4.928	50	40	IJGB	
CCOC(=O)[C@@H](C)SC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	13175740	YGNZKCPTTZUEHN-VGOFRKELSA-N	447.560	4.706	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2F)cc1	33766231	UNOJAUPSNFTXMV-RGEXLXHISA-N	429.451	4.697	50	40	IJGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1	34795256	LMCYONPUWNJDIR-XMHGGMMESA-N	429.432	4.685	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1	408723692	ZYDPDKQDNCCMNE-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc1Br	408814653	ZMYBLKMJAYTRAF-ZTFCMROMSA-N	442.151	4.598	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)ccc1O	1906007	QUVVZMVXALPESA-OVCLIPMQSA-N	425.897	4.647	50	40	IJGB	
Cc1cc(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O3)c(C)s1	4168846	FNUDKZMWKWNHDF-OAHLLOKOSA-N	427.327	4.736	50	40	IJGB	
C/C(=N/NC(=O)c1ccco1)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2Cl)cc1	8399348	XIYVPRKDFRPREQ-FFGRAEKCSA-N	439.899	4.801	50	40	IJGB	
COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3NC(=O)CCl)n2)cc1	8754988	STNOSJFEQPWVLP-UHFFFAOYSA-N	442.903	4.988	50	40	IJGB	
COc1cccc2cc(C(=O)N/N=C/c3cc(C)n(-c4cc(C(=O)O)ccc4C)c3C)oc12	9264667	IEFFLUHGXPVUJF-LGJNPRDNSA-N	445.475	4.619	50	40	IJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(I)cc1	10118492	DASZVTFOMLSSMP-LPYMAVHISA-N	444.272	4.607	50	40	IJGB	
O=C(OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1)c1cccs1	13095202	CXZLKRNPZVZRIF-DHRITJCHSA-N	432.423	4.991	50	40	IJGB	
COc1ccccc1OCCCOc1c(/C=N/NC(=O)Nc2ccccc2)cccc1OC	13896004	FTAWARMMHBNTNN-NLRVBDNBSA-N	449.507	4.707	50	40	IJGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21	208206468	OFGKDATTZJDFNB-ZUSSYJGPSA-N	441.575	4.795	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc2c(c1)OCO2	408742683	BRILGKYLBRYQBU-JAIQZWGSSA-N	442.471	4.857	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccc2Br)o1	9971470	HPYBBERBECCVGI-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
COc1ccc(C(=O)CCC/C(=N/NC(=O)c2ccccc2)c2ccc(OC)cc2)cc1	22022852	MPSYPIIHNVHGPU-PNHLSOANSA-N	430.504	4.891	50	40	IJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OCc1ccccc1	59272268	WFAMXORLPRXKCM-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C(=O)OC)cc3)c2C)cc1	223175399	PMHYCEXEFJQVIM-QNGOZBTKSA-N	443.503	4.825	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](C(=O)O)N2	229974361	HFXTYQITEZRVMW-MMCWTAFCSA-N	446.912	4.548	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1	408774862	QXDXAUCDQLRJQI-BKUYFWCQSA-N	449.507	4.733	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(F)cc1	8812069	YXVFDCZYWQJRPL-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1cccc(Br)c1	9693447	OIYAKUHNQWBUBX-QGZVFWFLSA-N	426.339	4.669	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OC	20197954	WWWGACNYUMPZCP-OEAKJJBVSA-N	447.329	4.575	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	20244105	MUSGGJRVOBYLEB-LQKURTRISA-N	447.510	4.905	50	40	IJGB	
O=C(N/N=C\c1cc(Cl)c(O)c(Cl)c1)c1cc2cc(Br)ccc2o1	408845899	MHKILDKNRVBCDH-SCDVKCJHSA-N	428.069	4.972	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)cc1OC	2303003	JCWRWVWNEQOTRN-FOWTUZBSSA-N	431.473	4.910	50	40	IJGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C(\C)c2ccccc2)cc1	12411238	NNRZWSCTUQJFNN-JFDLABHESA-N	441.531	4.787	50	40	IJGB	
CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1	46084855	CGMHMYXDSUCVKM-COOPMVRXSA-N	441.531	4.544	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)ccc1OCc1ccccc1	408732336	URIPWWRHSNYARQ-LQKURTRISA-N	431.536	4.843	50	40	IJGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(SC)cc3)CC(=O)N2)cc1	409311605	BHIOVGBBFPAZGV-LJQANCHMSA-N	437.590	4.681	50	40	IJGB	
O=C(c1ccc(Br)cc1C(F)(F)F)[C@H](Br)CBr	575362505	RLBASLFXJPUSKU-MRVPVSSYSA-N	438.863	4.809	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(F)c1	638016	MMAVBOKJPKOVIZ-MZJWZYIUSA-N	436.483	4.559	50	40	IJGB	
COc1cccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c1OC	2352670	UETVDLYFDJZDDX-QGZVFWFLSA-N	441.940	4.577	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C	9187352	JHHZZZISGQTAMO-RXMMKEHTSA-N	444.535	4.709	50	40	IJGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)C(=O)Nc1cccc(C(=O)O)c1	408545158	ZKUANHUUVKSQNL-ZROIWOOFSA-N	436.807	4.542	50	40	IJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc(Br)cc2)o1	408591929	WNMWWWZPLRKMSP-ZMOGYAJESA-N	449.308	4.967	50	40	IJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1C	408613256	YLGUFLURJHIPLC-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1cc(F)ccc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408708848	UMNZBNSBWSBNTB-RPPGKUMJSA-N	442.853	4.759	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1	408790574	WYKFAAISDAQEHR-UUILKARUSA-N	439.682	4.964	50	40	IJGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1C(=O)O	408883437	VEVJEHBRIBZJGI-GHRIWEEISA-N	446.846	4.803	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	408966114	ZAKQOFLZITYXIP-LGJNPRDNSA-N	443.381	4.957	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1C	408970239	DGRIOUSTHYVAJK-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	632016	URFCKVSEFRNTPR-UHFFFAOYSA-N	439.500	4.640	50	40	IJGB	
N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@H]1c1ccccc1OC(F)F	2790839	VLGCZQCQWDOPMT-IBGZPJMESA-N	446.413	4.952	50	40	IJGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)cc2)n1	3242191	FNECCPNKBCNUBQ-UHFFFAOYSA-N	441.944	4.506	50	40	IJGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1cccc(Cl)c1	408779005	OTVWKEJPGFHUEZ-UHFFFAOYSA-N	442.025	4.883	50	40	IJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1OC	408795583	MCFCLADIXSOLDI-CJLVFECKSA-N	438.483	4.832	50	40	IJGB	
COC(=O)c1c(NC(C#N)=C2C(=O)c3ccccc3C2=O)sc(C)c1-c1ccccc1	954541	FKUNEXPMMQTJKI-UHFFFAOYSA-N	428.469	4.779	50	40	IJGB	
O=C(N/N=C/C=C/c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1Cl	8386023	HDEGMMMKAFSUJO-INZAHJAGSA-N	435.936	4.988	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OC)c3)c2C)c1C	9259007	VSZBBTAHOQUKDA-DEDYPNTBSA-N	443.503	4.743	50	40	IJGB	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/C=C\c1ccccc1	13564242	LCZAOQXPIKJIQX-WBIONZNOSA-N	439.544	4.842	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C(F)(F)F)c2C)cc1	58912678	OIWAMXAMSSHWCD-UVHMKAGCSA-N	442.441	4.510	50	40	IJGB	
O=C(CCCCl)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)CCCCl)c1	96022742	KYONJJCBMGHVPU-UHFFFAOYSA-N	433.229	4.838	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	107921268	YLPCSKVEMWQCEB-RGEXLXHISA-N	429.451	4.697	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2C)cc1	408708396	PTRXBOGWSRBHQQ-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc(C(C)(C)C)cc1	409343946	FYJKREVZAWIBKU-MDZDMXLPSA-N	428.348	4.524	50	40	IJGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccccn2)nc2ccccc12	6191271	HLANZUXZVAANJS-DHRITJCHSA-N	447.292	4.529	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1	9323028	HKAASHPFFOTJNR-FYJGNVAPSA-N	442.471	4.908	50	40	IJGB	
COc1ccccc1C(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21	59472638	VPZANEZBJQWQQF-FVDSYPCUSA-N	435.483	4.529	50	40	IJGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	409218569	GDZHEEPDQGFIPF-CVKSISIWSA-N	426.476	4.599	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3cccc(F)c3)c2)cc1OC	409326944	OZXKSXOAXCXUPA-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cccc(OC(=O)/C=C/c3ccco3)c2)c1	802291	AWZIMOVKZOAASM-GHXALVAGSA-N	446.503	4.859	50	40	IJGB	
CC1CCN(C(=O)/C(C#N)=C2\S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1	2327454	HZNQHBATLYLXQQ-JSIHEXFSSA-N	449.551	4.510	50	40	IJGB	
COc1cc(/C=C(\C#N)C(N)=O)c(Br)cc1OCc1cccc2ccccc12	9234099	ALIHKHUIHWUCDV-RQZCQDPDSA-N	437.293	4.582	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c(Br)cc1OC	59201084	ZMYHKWQNYOMYAM-YBEGLDIGSA-N	429.314	4.964	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)o1	408567605	OVVLXUUATUIBQS-MFKUBSTISA-N	435.480	4.854	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccc(F)cc4)c3)CC2=O)cc1C	408603194	FVNCXHNBICJICS-FQEVSTJZSA-N	447.510	4.518	50	40	IJGB	
Cc1ccccc1NC(=O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	409017877	WBHDSGXTTFMMOB-OGLMXYFKSA-N	437.499	4.930	50	40	IJGB	
Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)C(C#N)=C(N)O2	409134542	SATKZZYEYPEZSK-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
Cc1c(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)c2ccccc2n1Cc1ccccc1Cl	32109609	JBSXUPSATMPARC-QRRJMBGHSA-N	433.939	4.854	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1	58900820	OFQAFWSQBANRIQ-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(OCc3ccccn3)cc2)c1C	98008613	VRPGOGOPAMMIBN-UYRXBGFRSA-N	429.476	4.572	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2cccc(C)c2C)ccc1OCc1cccc(C(=O)O)c1	408850296	KNLLGDIFDKCWKS-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(COc3cccc4cccnc34)cc2)cc1OC	3275097	AIZKZMISPKOJRM-LQKURTRISA-N	441.487	4.595	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc(Br)c1	13892820	RGUAQQGAUIQAAD-XNTDXEJSSA-N	437.249	4.953	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(C(=O)O)c1	59247919	SRKOXQSLMYRPPN-ODLFYWEKSA-N	446.434	4.657	50	40	IJGB	
CN1/C(=C(/C#N)C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCC2)Sc2ccccc21	102954718	CPTDDZVVIFTLMQ-HEHNFIMWSA-N	438.936	4.851	50	40	IJGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)c1	2792956	IMKMWNJLXZWAAV-LSHDLFTRSA-N	447.672	4.825	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1sc2c(c1C#N)CCCC2	59534136	ZNRAIQAQIWHTKA-WOJGMQOQSA-N	430.533	4.723	50	40	IJGB	
CN1/C(=C\C=N\NC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)C(C)(C)c2ccccc21	102979931	DZKHGAIBWYBQSY-YXJGTPKFSA-N	438.746	4.651	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1ccc(N(C)C)cc1	1096835	CHLMBOFSEBYPIW-ZVHZXABRSA-N	439.357	4.687	50	40	IJGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	3085410	BCSUJPDNZHMGMY-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	16436889	XMJZHCTVNAVSSS-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1OCc1ccccc1	58871346	VYLKRRNRTKCHGC-MFKUBSTISA-N	433.464	4.645	50	40	IJGB	
COc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102306716	IEOTUSYKIFLZSS-NRFANRHFSA-N	435.505	4.929	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC	107957983	QCAJHXZHDZPKPJ-YVLHZVERSA-N	426.266	4.622	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(O)cc3)o2)cc1	109336730	YJLNHQYYVGDPHS-YSMPRRRNSA-N	429.476	4.736	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(N)=S)cc(OC)c1OCc1ccc(Br)cc1	408541336	AINPSOCHVAHQNX-YVLHZVERSA-N	443.366	4.958	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(F)cc1	408777633	DSJDMWRVYKNUDJ-PXNMLYILSA-N	447.304	4.607	50	40	IJGB	
O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1cc2cc(Br)ccc2o1	408850362	MDCMKHXKFPCMCH-SCDVKCJHSA-N	428.069	4.972	50	40	IJGB	
Cc1ccc(C)c(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c1	408861932	VNODJVCEWJTTRQ-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	674577	UPIODVUSSQMWTI-UHFFFAOYSA-N	429.520	4.620	50	40	IJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccccc1OCc1ccc(Cl)cc1)OCO3	3628383	XQSVUKAMXLESMF-HSZRJFAPSA-N	432.863	4.866	50	40	IJGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)c1cc(O)ccc1O	13321413	VNSMNPRHQMZMIB-XAYXJRQQSA-N	441.487	4.866	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	408723603	XSLABRZXMXJORD-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)c([N+](=O)[O-])c1	408889282	BZYRGYAYLLJAIH-XMHGGMMESA-N	427.416	4.668	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(Sc3ncccn3)o2)cc1	409097966	OKUVKOQKXODVBP-UKTHLTGXSA-N	441.310	4.837	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccc(F)cc1	12276774	RDRQSYJCUQAVRK-MRXNPFEDSA-N	449.429	4.555	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1ccccc1F	33643935	FGNVZIOOIZLEGZ-YHYXMXQVSA-N	444.041	4.963	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	209651188	TYNRZVYAKPWNDS-GDNBJRDFSA-N	443.297	4.577	50	40	IJGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1OC	408899511	PYBMHEOGXYYLSW-WUXMJOGZSA-N	436.251	4.855	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccccc1F	409370150	LYLJNPGMXRCBJL-RGEXLXHISA-N	429.451	4.697	50	40	IJGB	
c1ccc(P(c2ccccc2)[C@H]2CNC[C@@H]2P(c2ccccc2)c2ccccc2)cc1	2572365	YMRKZKDKJJCIHH-NSOVKSMOSA-N	439.479	4.593	50	40	IJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1)OCO3	3628389	VNCRVEIOIGEKEH-HSZRJFAPSA-N	432.863	4.866	50	40	IJGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])c2)cc1C	9905825	GPIRTMAWQUWQGR-ZXSYOUNQSA-N	447.451	4.862	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)=O)c(OC)c3)n2)cc1OC	12139999	QEXFVVJPRKDTCR-RQZCQDPDSA-N	436.489	4.825	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OCCOc1ccc(C)cc1	12285294	GPVLCVPQJHGXLG-XQNSMLJCSA-N	442.515	4.685	50	40	IJGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	28215925	NVXVOIRRKPTIQU-DHRITJCHSA-N	425.529	4.625	50	40	IJGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1cccc(C(=O)O)c1	34713578	RHCVHMPNKKORDA-MTJSOVHGSA-N	446.466	4.805	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(F)cc1	59334721	TVLLIPNEEUQAOI-SXGWCWSVSA-N	447.304	4.561	50	40	IJGB	
COc1ccc(SCC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	408759801	LWYDPONTEXKLHB-CFRMEGHHSA-N	427.957	4.999	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1C#N	408819006	WFHTVNVICZBVKZ-UDWIEESQSA-N	427.435	4.831	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1	408851754	NMWRLEFTFHJHOC-YSMPRRRNSA-N	429.476	4.781	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c(O)c1	409392874	SRSOFTKNIBAHNQ-MZJWZYIUSA-N	431.467	4.615	50	40	IJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)cc1	9666093	GIYBKFAEDXOPLV-OGLMXYFKSA-N	438.531	4.506	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1ccccc1	13617609	XFUZMHPWVJFOED-RCCKNPSSSA-N	428.608	4.771	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)cc1	100924662	MUIXNMXSZCZRMI-QFIPXVFZSA-N	433.533	4.697	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1	408899108	ZCDKSWZNQSKULJ-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1ccccc1C	409005171	CYLLPIJRFVJZRQ-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
CN(C)C[C@H](C(=O)c1ccc(Br)cc1)[C@@H](Br)c1ccccc1	1754540	VXHCUAYTNFNEFS-IRXDYDNUSA-N	425.164	4.946	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)C(O)(c1ccccc1)c1ccccc1	3144791	YGGVWKDUPSJFMX-WPWMEQJKSA-N	430.891	4.986	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	59335253	BFYANAFLKMJGJW-DHDCSXOGSA-N	429.701	4.969	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)NC3CCCCC3)c2)cc1C	218425567	NHNSRMHPZMCYLQ-STZFKDTASA-N	431.536	4.677	50	40	IJGB	
Cc1nc(N2CCC(NC(=O)CCCC[C@H]3CCSS3)CC2)cc(C(F)(F)F)n1	225725925	UUFDYOHXLIRQNG-HNNXBMFYSA-N	448.580	4.603	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1cccc(F)c1	409127176	IQMBLZJHLBPYHA-XMMPIXPASA-N	432.451	4.727	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cccc(C(=O)OC)c4C)o3)cc2c1	409187555	RVCCUJLNINRMPG-WGARJPEWSA-N	446.459	4.950	50	40	IJGB	
O=C(COc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1Cl	409265468	SSYKGVVAXMIJEZ-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccccc3Cl)o2)cc1	703892	KFYCFEQDXJKNSW-HXUWFJFHSA-N	437.908	4.909	50	40	IJGB	
COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c21	1068810	YFKWTDXNISODLI-HNNXBMFYSA-N	431.254	4.749	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc4ccccc4c3)o2)cc1	13597576	FUGDDLTUDSVJTH-NTFVMDSBSA-N	441.487	4.839	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)cc1C	58913705	UBTHFXCABCVXKF-LQKURTRISA-N	438.531	4.953	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1CC=C	408817055	VEDYBPPECYVIEA-ATVHPVEESA-N	439.284	4.874	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409366531	VPMNFPRIYAMQSH-WYMPLXKRSA-N	431.275	4.717	50	40	IJGB	
COc1cc(/C=N/NC(=O)CSc2cccc3ccccc23)c(Br)cc1O	8874938	HVMSIRWTKKPICG-SSDVNMTOSA-N	445.338	4.559	50	40	IJGB	
COc1c(Br)cc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1	10059623	GPVHPVWJMLEWQK-UWVJOHFNSA-N	446.526	4.638	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCCCOc1cccc(C)c1C	13940381	JWVMZDSPACXIDM-OVVQPSECSA-N	432.520	4.924	50	40	IJGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C\c1ccccc1	30750509	MZFSGRKUIYVISD-JMIUGGIZSA-N	434.999	4.726	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1	33385161	LNFOTBLKDIZTNC-WSDLNYQXSA-N	436.518	4.763	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c(OC)c1	36618850	UFXSIWYIODJDAI-OAQYLSRUSA-N	430.508	4.511	50	40	IJGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	58886722	QTFOHQADRUIFCL-WQZUMXOESA-N	427.298	4.673	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)c(C)c1	58913220	BWLCZJLCXZCKPA-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408591264	SLARJWLPOANREA-JVWAILMASA-N	425.488	4.798	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)n1	409251422	QGUHZKQSUOOANE-YSURURNPSA-N	434.443	4.615	50	40	IJGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1	880995	MFMYCYWLPVYLEH-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)cc1	1782681	MKLDAFPMTGCMDM-ZVHZXABRSA-N	441.325	4.897	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1OC	9693272	FVYYPAHRRDPEJS-GOSISDBHSA-N	435.549	4.622	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1cccc(F)c1	9693386	JFSFLWKLZGSSND-QGZVFWFLSA-N	444.329	4.808	50	40	IJGB	
CCc1ccc(/C(C)=N/NC(=O)CCCCC(=O)N/N=C(\C)c2ccc(CC)cc2)cc1	13968745	HWRGWPVMWCSOJK-MKYUKRCKSA-N	434.584	4.752	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)NCc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1	408803289	NHVOERVTORHUHN-DEDYPNTBSA-N	445.906	4.581	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(C)c1C	408864087	SQIXGIHRJCMYJR-VUTHCHCSSA-N	440.591	4.698	50	40	IJGB	
CCc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1	409028147	KNFHYLWXRAIGPR-UHFFFAOYSA-N	435.634	4.792	50	40	IJGB	
CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc2ccccc2c1	8809592	LZRKINKIKRRCCY-YZSQISJMSA-N	448.523	4.904	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3F)c2)cc1	33666827	CIYAAUPQCMJEOD-UYRXBGFRSA-N	429.451	4.697	50	40	IJGB	
Cc1cc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)c(C)n1C(C)(C)C	408570420	UVPVBDGYFLDTGS-YDZHTSKRSA-N	431.627	4.868	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408999533	UVFYYFCVARUVLG-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
COc1ccc2nc(/C(C#N)=C\c3ccccc3OCC(=O)Nc3ccc(F)cc3)[nH]c2c1	409391909	MAXUOMNCWSAXOP-ATVHPVEESA-N	442.450	4.792	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	636779	XKYRKUYJZLZFPE-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1CSc1nc2ccccc2o1	2080823	GDIGZZBFYGKCQL-MFKUBSTISA-N	431.517	4.822	50	40	IJGB	
CCOc1c(Br)cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1OC	3617335	UVVFUTSRXGTMPR-CXUHLZMHSA-N	436.327	4.503	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)cc1	33675813	XVTAZFZBPWHZKV-JFLMPSFJSA-N	441.487	4.503	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCc1ccc(Br)cc1	59444972	KCRZCDAPFWHPDF-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)cc1	408746492	ZPKARTXLALDYAZ-HKWRFOASSA-N	443.503	4.825	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	408806726	BLYBOOGEYVICMA-GNFOSXPUSA-N	427.460	4.958	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1C	408889420	GONKWZVFFLVTSQ-OQLLNIDSSA-N	442.269	4.776	50	40	IJGB	
CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	409187301	OQWIMGNXPLAVEY-DHDCSXOGSA-N	433.291	4.869	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccccc1OCc1cccc2ccccc12	409267368	UEGSWJZFHQJNPU-LQKURTRISA-N	438.483	4.840	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2-c2ccc(C)cc2)cc1	2360835	JDSQHUBIAURIIT-WGOQTCKBSA-N	441.560	4.794	50	40	IJGB	
COc1ccccc1OCCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1	8984713	JOQJAIVXFIJLAO-YZSQISJMSA-N	438.911	4.960	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)N1CCCCC1	12629616	UTQJYIVOMQHLAM-CPNJWEJPSA-N	425.326	4.948	50	40	IJGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2cccc(Cl)c2Cl)cc1	12745402	LVCIANBZFFVPMB-UHFFFAOYSA-N	441.361	4.654	50	40	IJGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1	15357189	IRZCOLZGZWNRPQ-VKAVYKQESA-N	437.565	4.840	50	40	IJGB	
CC1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	16790929	WPXNJBSDKDZBOQ-HKWRFOASSA-N	441.491	4.613	50	40	IJGB	
CC(C)c1ccc(/C=N\NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)cc1	28632604	PBEIOGXIHBFONQ-MYYYXRDXSA-N	430.464	4.734	50	40	IJGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3Cl)c3ccccc32)c1	408542257	KECOIUPAKMXVFN-MZJWZYIUSA-N	445.906	4.894	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccc(F)cc1	408771310	GWVNHFUZKKQZQD-PXNMLYILSA-N	447.304	4.607	50	40	IJGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2cccnc2)c1Cl	408812747	BVFKZAWCVUTIOI-BHGWPJFGSA-N	447.278	4.666	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(C)n1-c1ccccn1	409220501	ASTJSAOFBXNHBM-MSXFZWOLSA-N	437.297	4.762	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c(O)c1	409393713	ZEIXESOCWIOFRI-LGJNPRDNSA-N	433.895	4.821	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(=O)c3ccc(C)cc3)c2)cc1	3112147	ACLCEYPJUVYZLW-OVVQPSECSA-N	428.536	4.857	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1ccc(Br)cc1	12428657	HAWMDOFJCWBFGQ-RVDMUPIBSA-N	437.249	4.953	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1cc(Cl)ccc1Cl	28217076	VHNNIQJXZOUVQI-ZPBGBCLFSA-N	444.318	4.691	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cccc(Br)c1	59445035	SFXZXYREDRQQKU-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	207156702	NMEHSHXJXOJACN-XGHPXPSOSA-N	429.314	4.641	50	40	IJGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1Br	408719826	MMTKMYWKVQVHRB-UFFVCSGVSA-N	440.794	4.552	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1	408791610	ZMFAZYSGLLZSPK-GZTJUZNOSA-N	442.899	4.860	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408875433	FONVJYMPQHEGPA-RIYZIHGNSA-N	434.801	4.925	50	40	IJGB	
CCOc1cc(OCC)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409191550	YYCYZPTVLGJMRP-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	855706	MXIGMINYTKXABN-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccccc1Br	3254368	PZELBZWOOOSIEE-RVDMUPIBSA-N	437.249	4.953	50	40	IJGB	
O=C(OC[C@H]1O[C@@H](Cl)C[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	5052583	QEHCZULNFYDPPL-BRWVUGGUSA-N	429.683	4.730	50	40	IJGB	
CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C\c2cc(OC)ccc2OCC)cc1	5245220	XONVKNXGLOPWLA-IFJOVRIVSA-N	428.529	4.581	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1ccc(OCc3ccc(Cl)cc3Cl)cc1)C(C#N)=C(N)O2	9553918	FOQLNYWGRLPDQS-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc1OC	9693260	XSESQUNAKIICJB-FQEVSTJZSA-N	449.576	4.876	50	40	IJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C	15224616	ZMPXRNOIWVIALI-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408849153	VJZKIMJHAOGCJB-MYKKPKGFSA-N	428.851	4.740	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=N\NC(=O)c3cccc(Cl)c3)c2)cc1C	409008556	XVBOBOQNZWJZDJ-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1C#N	409051328	KVKPSAOLVZWYSS-MZJWZYIUSA-N	433.895	4.872	50	40	IJGB	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CC(C)(C)CC3=O)cc1	1056979	XKTUWRJNTWEVGV-JOCHJYFZSA-N	444.491	4.544	50	40	IJGB	
Cc1cc(OCCCC(=O)N/N=C/c2ccc(O)cc2)c(Br)c(C)c1Cl	1792260	MGAKQOFGTLOEBK-SSDVNMTOSA-N	439.737	4.734	50	40	IJGB	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])c3ccccc3n2)c1	2090181	UNQRQDWFADROFS-WGOQTCKBSA-N	440.459	4.973	50	40	IJGB	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2)cc1	3228506	JHOHTTJXZQKGJR-GXDFBKAQSA-N	440.499	4.837	50	40	IJGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	8780863	LXWMRUJHIDJCRS-YVNNLAQVSA-N	434.235	4.691	50	40	IJGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(F)c3)c2C)cc1	83299765	CQJRNGOBYMLQRL-RLWVUDJFSA-N	437.515	4.596	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Br	108062863	GTKCENPBIQRLSV-YDZHTSKRSA-N	427.298	4.774	50	40	IJGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)c1	408678369	XQQWKMGUUWNYQQ-AFUMVMLFSA-N	437.883	4.662	50	40	IJGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	408747485	OPORHRCYLSLDFQ-WQLSENKSSA-N	436.103	4.766	50	40	IJGB	
N#C[C@@H](C(=O)N/N=C/c1ccc(OCCOc2ccc(Cl)cc2)cc1)c1ccccc1	409200323	RHNIABGDGUKOPM-RQFMOZSRSA-N	433.895	4.555	50	40	IJGB	
COc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2cccc(C)c2)c2cccc(C)c2)cc1OC	1444660	ZYKHUXQCABBWLY-TUJXVDMFSA-N	428.532	4.777	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Oc3ccccc3C)nc3ccccn3c2=O)cc1	2422724	MZNNLCLQAKAYKU-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
C[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(OC(F)F)cc3OC(F)F)cc2C1	3413751	AZSLCDTZYPOTBL-OEXWIMQBSA-N	430.423	4.840	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OCC	9204730	WXJVAHBXFPUKBD-WSDLNYQXSA-N	439.737	4.593	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	9358071	VPHMFCMZQMINAN-RMORIDSASA-N	448.262	4.999	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1cccnc1	13689498	OYCLGYPXUNPGNZ-NLRVBDNBSA-N	448.596	4.786	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	59250049	QDRODJFSSRIMJD-VZUCSPMQSA-N	425.655	4.656	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1	408526588	CPXVZZNBBKHSBU-XODNFHPESA-N	444.457	4.684	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	408758925	UVSGDWCXIHOTBY-CPNJWEJPSA-N	427.416	4.668	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408963175	XQGYFCPTVDMKCD-DHRITJCHSA-N	433.395	4.823	50	40	IJGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)[C@H](C#N)c3ccccc3)c2C)ccc1Br	409206442	OKNGLXQLYXRBBJ-ODDBZWQPSA-N	449.352	4.923	50	40	IJGB	
O=C(c1ccc(Br)c(C(F)(F)F)c1)[C@H](Br)CBr	575362578	AXCQANVXJLRKAZ-MRVPVSSYSA-N	438.863	4.809	50	40	IJGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc3ccccc23)[C@H]2CN(Cc3ccccc3)CC=C12	8854795	PPXULTQNGHRABN-SVBPBHIXSA-N	441.538	4.765	50	40	IJGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3ccc4c(c3)OCO4)cc2)cc1	12652329	HEFXTQZWTSOKQQ-YZSQISJMSA-N	432.476	4.547	50	40	IJGB	
CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1	15134798	GFJRDOWDDDGBSC-SDCZFJSOSA-N	444.919	4.546	50	40	IJGB	
O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2OCc2ccc(Cl)cc2)n[nH]1	16974650	FZCPXWZVIPPIHD-VULFUBBASA-N	446.894	4.779	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3Cl)c2C)c(C)c1	20195452	CBODJQCBZWMDHE-DHRITJCHSA-N	438.915	4.965	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	59401643	WRXSBTUDSVFLMR-CVKSISIWSA-N	438.911	4.629	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2)cc1	408805657	BMKOEEONJYPEBT-KGENOOAVSA-N	442.471	4.606	50	40	IJGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@@H]3C#N)o2)cc1	408857302	UGDYPXUFXOKCTA-DUSHLWHBSA-N	425.517	4.947	50	40	IJGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1	409074548	MVIDVUZVQVSRKS-SAPNQHFASA-N	438.892	4.653	50	40	IJGB	
N#C/C(=C\c1cn(CCOc2ccccc2Cl)c2ccccc12)C(=O)NC[C@H]1CCCO1	872808	JVEGPGLMYWFXSW-WORNYLJVSA-N	449.938	4.576	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)/C=C/c3cccs3)cc2)cc1	1298166	VPQULKBGUJQUDD-CCEZHUSRSA-N	447.560	4.772	50	40	IJGB	
COc1ccc(OC)c(/C(C)=N\NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c1	9849655	WHQGFFLJEOOHKP-DIBXZPPDSA-N	445.519	4.689	50	40	IJGB	
N#Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3Br)c2)cc1	20760753	JOWFXFKWWVMBAD-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1O[C@H](C)C(=O)N(C)C	32811723	FKCKZGDBZHCNCU-HNMKQIAWSA-N	445.519	4.520	50	40	IJGB	
N#C/C(=C/c1ccsc1)S(=O)(=O)c1cc(Br)ccc1Br	48278577	UAGPOQXDCULAMR-WZUFQYTHSA-N	433.146	4.611	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1cccc(Cl)c1Cl	408586444	CCOXYUJWRRGOTJ-YSURURNPSA-N	430.291	4.894	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1cccc2ccccc12	408807086	KFCGIEZSPKQLTJ-XQNSMLJCSA-N	444.531	4.877	50	40	IJGB	
CCOc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)cc1	408850436	NRUYAJFXOUGXRI-HMAPJEAMSA-N	427.302	4.794	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057382	OWVJIXMMQGGAPX-UKTHLTGXSA-N	438.783	4.962	50	40	IJGB	
O=C(NN(c1ccccc1)c1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1	14862496	NJXBNWODCGQMNO-WUKNDPDISA-N	425.532	4.808	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1	59297471	UBAMVQHKIOUQMA-VCHYOVAHSA-N	447.422	4.867	50	40	IJGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)cc1OC	408582407	NXGLHYZVHKCXBF-LFYBBSHMSA-N	439.103	4.999	50	40	IJGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccccc3C#N)c(Cl)c2)C2=C1CCCC2=O	409130653	XDAFHWDWNLQNBF-QHCPKHFHSA-N	444.922	4.521	50	40	IJGB	
N#C/C(=C\c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)C(=O)NC[C@H]1CCCO1	409199607	ICOMWEIFOZRZIG-OVWUPXBPSA-N	449.938	4.576	50	40	IJGB	
Cc1cccc(NC(=O)COc2cccc(/C=N\NC(=O)c3ccc(Cl)cc3)c2)c1C	409261572	DTBOIKPBLAEBLP-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	9097030	AAMXAIZQLKSQMA-UHFFFAOYSA-N	444.541	4.675	50	40	IJGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2c(Cl)cccc2Cl)c(Br)c1	20101000	VXMPZFNFAVNKOB-WNFQYIGGSA-N	430.129	4.902	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1c(O)c2ccccc2n(-c2ccccc2)c1=O	100370320	FCGZAGKVSKLYED-CVKSISIWSA-N	431.879	4.504	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccc(OC)cc23)cc1	408793178	DJLMXHDDGVUUBL-QGOAFFKASA-N	430.460	4.579	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1Cl	408868331	MAWBUEFPZSHHRH-LZYBPNLTSA-N	447.318	4.799	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1-c1ccc(C#N)cc1	408955933	VHEJZXOTSLOMDR-UCQKPKSFSA-N	433.515	4.713	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cccc(OC)c4o3)o2)cc1	408970031	YWCZEDCQVBCMAP-AFUMVMLFSA-N	432.432	4.642	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1OCc1cccc(C(=O)O)c1	409372432	XMWZQFZOMQFTGC-NDENLUEZSA-N	430.416	4.945	50	40	IJGB	
COc1ccccc1C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	13147875	VGPONDQGFMXVDW-UHFFFAOYSA-N	426.925	4.716	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(C)cc2)n1C1CCCCC1)c1ccco1	16311229	JWFIQHVABSKCLC-JJIBRWJFSA-N	437.569	4.984	50	40	IJGB	
C/C(=N\NC(=O)c1cc(C)nc2c1c(C)nn2-c1ccccc1)c1ccc(OC(F)F)cc1	22527937	WUWQCIWGYHQLQF-RWPZCVJISA-N	449.461	4.793	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1C	33334259	IXJISXVWDNEGPE-WGARJPEWSA-N	429.476	4.699	50	40	IJGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)cc2)c1	59232815	QGEZQGFFUNHTEE-WSDLNYQXSA-N	426.472	4.526	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1I	408799027	XYNCTVIEBNGQNJ-MHWRWJLKSA-N	446.288	4.852	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408831411	NVDPSELRZXNYEV-OGLMXYFKSA-N	440.499	4.957	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1	409006307	IRGADTVILKOJSZ-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
CC(C)[C@@]1(C)C[C@@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	1673454478	UREQLSZNUCLWOL-JYFHCDHNSA-N	431.536	4.797	50	40	IJGB	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(Cc2cccc3ccccc23)c2ccccc21	2352222	NRESOTLGKOWMQS-IKPAITLHSA-N	449.510	4.594	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)c1C	16268575	DRZWKEGEQYXIGQ-CPNJWEJPSA-N	431.467	4.874	50	40	IJGB	
O=C(N/N=C\c1cccc(O)c1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1	30743196	KEUQGJZUWKJPKO-WGARJPEWSA-N	446.894	4.779	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409220140	YOWWHPLBWTYEEX-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1	985593	VNNXYRBTESXHEE-INIZCTEOSA-N	425.261	4.505	50	40	IJGB	
CN(C)[C@@H](c1ccccc1)[C@@H](CBr)C(=O)c1ccc(Br)cc1	1754543	VETHZNPUMSWYSY-SJORKVTESA-N	425.164	4.946	50	40	IJGB	
Br[C@H]1CC[C@H](Br)[C@H](Br)CC[C@H]1Br	8383169	RZLXIANUDLLFHN-ODANAHCNSA-N	427.800	4.614	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	9693138	MFVFLUIYQBFDNU-LJQANCHMSA-N	425.941	4.958	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1OC	9693253	SLPYVNHQOGSZDM-FQEVSTJZSA-N	449.576	4.930	50	40	IJGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	58913815	JUJOMKXJWWZGJI-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2ccccc2)cc1COc1c(F)c(F)cc(F)c1F	102380951	YPKPYBLACXLLOQ-BCHBDCPOSA-N	432.373	4.595	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1	107640509	XSDNTMLWLJIDQV-QQXSKIMKSA-N	432.524	4.993	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cn(CC)c3ccccc23)c(C#N)c1C	408546672	MDPCTAZRGLVSIE-MHWRWJLKSA-N	431.517	4.798	50	40	IJGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	408851846	GQTKDLNFKAGAGK-WPWMEQJKSA-N	439.471	4.518	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)ccc1OCc1ccc(C)cc1	8811151	GCZBLZOAHOFKSE-JVWAILMASA-N	448.519	4.754	50	40	IJGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1cccc(Cl)c1	16735474	LMAASRHSPPYGFP-DTQAZKPQSA-N	442.862	4.686	50	40	IJGB	
COC(=O)C1=C(C)NC(SCc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	20813771	STDYGARCDAQAQV-NRFANRHFSA-N	435.505	4.706	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1	33334256	SCGRNQVEDWXYOS-WGARJPEWSA-N	447.878	4.868	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1OC	59960716	AINHKSOJRJJDNE-WYMPLXKRSA-N	433.291	4.963	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)Nc1cccc(C(=O)O)c1	408541711	HIWPBRUHJXYABX-ZROIWOOFSA-N	436.807	4.542	50	40	IJGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	408996040	GSHGZNSACCAVEL-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
CN1C(N)=C(C#N)[C@@H](c2ccc(OCc3ccccc3F)c(Cl)c2)C2=C1CCCC2=O	409137898	YNCUBSHAEHOVFN-JOCHJYFZSA-N	437.902	4.788	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3F)c2)c1	409376937	CGBDTTHYAIFVGI-CPNJWEJPSA-N	429.451	4.697	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@H]1CCCO1	1052819	SOJSGRGZALDMLE-OTJDAXFFSA-N	431.319	4.775	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2sccc2C)nnc1-c1ccc(C(C)(C)C)cc1	1240624	FKDPQHYDNSRBPJ-YDZHTSKRSA-N	441.626	4.875	50	40	IJGB	
CN(C)[C@H](c1ccccc1)[C@H](CBr)C(=O)c1ccc(Br)cc1	1754550	VETHZNPUMSWYSY-DLBZAZTESA-N	425.164	4.946	50	40	IJGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)c1C	8721770	NLGRDPHQHPSYRG-RPPGKUMJSA-N	430.382	4.824	50	40	IJGB	
CCOC(=O)c1c(N/N=C2/C(=O)Nc3ccccc32)sc(SC#N)c1-c1ccccc1	12574878	SYNWDNCJIUITAP-UHFFFAOYSA-N	448.529	4.933	50	40	IJGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OCc1cccc2ccccc12	13590390	BIKRNKJTQVCBHI-RQZCQDPDSA-N	437.293	4.582	50	40	IJGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(Cn3nnc(-c4ccccc4)n3)cc2)CC1	15979110	AUHIHBUWZSXLRS-UHFFFAOYSA-N	430.556	4.711	50	40	IJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCN(C(=O)c2cccs2)C1	32755237	KHDQSAWSAJMSLM-JTQLQIEISA-N	432.760	4.704	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccccc1F	33777667	CMBDWQXUSASLDN-OGLMXYFKSA-N	443.478	4.968	50	40	IJGB	
CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1	35374616	RBHLVBJLARAEPT-DEZPSGRBSA-N	426.472	4.915	50	40	IJGB	
O=C(Cc1csc(Cc2ccccn2)n1)NNc1c(Cl)cc(Cl)cc1Cl	40128285	CXXXRXWXGSTJAZ-UHFFFAOYSA-N	427.744	4.775	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)cc1Cl	408983894	OADMHHIFSCCYCA-QCDXTXTGSA-N	439.682	4.964	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	408995966	CFXVCHQLADFAFI-DICXZTSXSA-N	445.592	4.736	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1	409245573	WABZKSMHZNHOQS-JJFYIABZSA-N	442.563	4.664	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NC1CCCCC1)=C(C#N)[C@H]2c1ccco1	6015215	FBEISCUILKQCPV-NRFANRHFSA-N	439.581	4.527	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(C(=O)O)c1	8843274	CNXNSQQQLAHJRH-WKIKZPBSSA-N	443.425	4.504	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccc(OCc4ccccc4)c3)n[nH]2)cc1	9763021	ABRNRBNNWZJRBO-OVVQPSECSA-N	440.503	4.818	50	40	IJGB	
O=C(N/N=C\C(Br)=C\c1ccccc1)[C@@H]1COc2cc3ccccc3cc2O1	57476874	IAZPECNVYCBUQO-RMHAZVNYSA-N	437.293	4.518	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Br)c1OC	59233042	BJRFSWDDXXJJBF-AWNIVKPZSA-N	435.705	4.974	50	40	IJGB	
FC1(F)C(F)(F)C(F)(F)C(F)(CCI)C(F)(F)C1(F)F	100929997	XFPWYFFENALKQK-UHFFFAOYSA-N	436.002	4.710	50	40	IJGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	103070162	NZBOFFGRBCITRH-FEWXFKJYSA-N	428.330	4.997	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)cc1	108127747	RBQOEKHCRWOIMD-ZHZULCJRSA-N	429.476	4.522	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1	409180890	UCSSSUFJMRYSOB-MFKUBSTISA-N	429.432	4.709	50	40	IJGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccc(F)cc3)s2)cc1	1818449	CWVRMSTUDQXEES-UFFVCSGVSA-N	432.571	4.520	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1-c1cccc([N+](=O)[O-])c1	8857541	UNQFCHKOBWPTOZ-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	9508101	XCGVUJDZFOXODN-XJVZSZGSSA-N	435.543	4.733	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)CCc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1	33347755	NNGHGWOWEJEUPC-YHBIKVOXSA-N	442.515	4.787	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)NCc1ccco1	59534062	XXWPDHJOZDPTJC-LDADJPATSA-N	437.293	4.844	50	40	IJGB	
Cc1c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(F)cc1	408586354	BKRUWIUNXRTSOQ-JFLMPSFJSA-N	444.466	4.738	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1cccc(-n2c(C)ccc2C)c1	409231723	LTAQYUJRYSAIBM-OVVQPSECSA-N	430.552	4.857	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)Nc2cc(C)c(Cl)cc2OC)c1C	3378008	HFXOQTNUEPIYIA-VCHYOVAHSA-N	443.931	4.574	50	40	IJGB	
Cc1c(/C=C(\C#N)C(=O)Nc2nccs2)c2ccccn2c1C(=O)c1ccc(F)cc1	3411079	QQMOAFMMFSIRAP-FOWTUZBSSA-N	430.464	4.620	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)c2C)c1	4091341	MTRVUKWNPVUZEL-LQKURTRISA-N	438.531	4.953	50	40	IJGB	
COC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21	12341858	UUGHNDHFQFFXNP-UKTHLTGXSA-N	428.275	4.667	50	40	IJGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	12411787	OEVHDJCTNRESKG-HSZRJFAPSA-N	435.483	4.608	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)c1	33383561	UDSBXHARZLFKEU-OYKKKHCWSA-N	448.504	4.777	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C	408588710	JJXBRNPBMUDHOK-OGLMXYFKSA-N	439.515	4.727	50	40	IJGB	
CCOC(=O)c1cc(-c2ccc(/C=N/NC(=O)c3ccc(OC)cc3)o2)ccc1Cl	409141613	AODLGAUAJCYVRT-ZMOGYAJESA-N	426.856	4.549	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	409204079	ANPXRDQOZRLIKZ-MMOHFDRGSA-N	441.560	4.664	50	40	IJGB	
C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	695780	KIEJWYUEGQFEEZ-QFEZKATASA-N	436.855	4.655	50	40	IJGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1	881105	OARMTRCPUDWCOS-QUHMBEFTSA-N	440.455	4.581	50	40	IJGB	
O=C(N/N=C/c1ccccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1	3212314	JFBOSSDZPPGNDU-YDZHTSKRSA-N	448.331	4.558	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2C#N)cc1	10475936	PZLMINASHMDVBQ-LQKURTRISA-N	447.922	4.882	50	40	IJGB	
CCOc1ccc(/C=N\NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1	57684187	HJHZAHOUMNZUQA-PKAZHMFMSA-N	438.487	4.679	50	40	IJGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	59151935	URKMKGMUZNIIDN-SSDVNMTOSA-N	429.885	4.892	50	40	IJGB	
N#C/C(=C/c1ccc(-n2cncn2)cc1)c1nc(C(c2ccccc2)c2ccccc2)no1	96993402	FOVZHVRKPVPYRO-JCMHNJIXSA-N	430.471	4.895	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1	408812787	NWHPTYSZDSTROV-YBEGLDIGSA-N	436.851	4.530	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408870501	FSAANQMPMMKLGU-LZYBPNLTSA-N	446.288	4.852	50	40	IJGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(OC2CSC2)cc1	409141139	UIBRUDHIKNWPCR-GZIVZEMBSA-N	441.405	4.871	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccco2)cc1	682772	MBAVPOCZVRHVMN-VEWPFPSHSA-N	441.443	4.626	50	40	IJGB	
O=C(COc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	59417703	QAXVKMSCXFLKKC-ZVHZXABRSA-N	439.309	4.557	50	40	IJGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)cc1	408950291	GTMBBVIHDGCAAO-UHFFFAOYSA-N	446.469	4.582	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)C(=O)NCCCc1ccccc1	409227118	OXOWABNMDQABCE-ULJHMMPZSA-N	440.499	4.620	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1	10475978	ALAZTZOSIPDTEC-WPWMEQJKSA-N	432.520	4.674	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1ccc(C)cc1C	13941739	KXSCVLLUHWOPLC-KGENOOAVSA-N	446.503	4.586	50	40	IJGB	
CC(C)(C)c1ccc(OCCOc2ccc(Br)cc2/C=C(\C#N)C(N)=O)cc1	16158129	NQFGKTNXMARPNN-FOWTUZBSSA-N	443.341	4.597	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c(C)n1-c1ccc(Cl)cc1	408588324	JALCMBXJLCJHET-FOKLQQMPSA-N	446.732	4.980	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)cc1	408759704	KAQFJYWRQMTVRW-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	408963073	MFYQJARHIKAJKV-LGJNPRDNSA-N	443.381	4.957	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnc(C)s3)c([N+](=O)[O-])c2)c1	408993693	WSZHDIUGMRJMNT-OQLLNIDSSA-N	437.506	4.760	50	40	IJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Sc2ncccn2)c1	409107657	SIHYFMRRPNUYID-GZTJUZNOSA-N	431.477	4.699	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(C)cc1	409129310	GCBHNKOUGUMJCF-VWLOTQADSA-N	428.488	4.897	50	40	IJGB	
CCn1nc(C)c(/C=N/NC(=O)c2ccc3c(c2)c(C)c(C)n3Cc2ccccc2)c1C	1005614	XEFWFPZSPGGVAZ-JFLMPSFJSA-N	427.552	4.904	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1OC	10004089	QBXLIGQSQKYVKI-LQKURTRISA-N	441.531	4.708	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c1C	13145493	NLLZJYLMVUOQOU-CIAFOILYSA-N	448.523	4.552	50	40	IJGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(C)o2)C2=C(CCCC2=O)N1	13174251	BOFWAPUWDVBRQV-HSZRJFAPSA-N	447.560	4.951	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c2C)c1	20194817	WANMJJWKKLFYMD-JVWAILMASA-N	431.536	4.580	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccncc3)c2C)c1	20243931	SDXWBQKLYGLOAY-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)cc2)cc1	100845844	OGNQNIMZUDMOQL-OKCPDPMRSA-N	428.532	4.824	50	40	IJGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	408762685	LTRVWNKZMLMPFE-DHRITJCHSA-N	435.480	4.788	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OC(=O)c1ccc(Cl)cc1Cl	19642760	OXKHDXAHRSZSFF-NTEUORMPSA-N	445.302	4.797	50	40	IJGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccccc2O)c1C	20243887	NHKKVRDBYIKOHF-WYMPLXKRSA-N	440.341	4.943	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1	59960194	PGTHUYPTEZEYTL-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
O=[P@](Nc1ccc(Br)cn1)(c1ccccc1)c1nc2c(s1)CCCC2	101023662	HQFDPGGFSQZJCF-XMMPIXPASA-N	434.299	4.520	50	40	IJGB	
CCN(CC)CC(=O)N(NC(=O)C(c1ccccc1)c1ccccc1)c1cccc(C)c1	4576923	RLHHHPSZNBGBGG-UHFFFAOYSA-N	429.564	4.533	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1	9331644	GMIYREARDQWOML-MRXNPFEDSA-N	425.941	4.667	50	40	IJGB	
O=C(N/N=C/c1cccc(O)c1)c1cc(-c2cccc(OCc3ccc(Cl)cc3)c2)n[nH]1	12689899	KEUQGJZUWKJPKO-VULFUBBASA-N	446.894	4.779	50	40	IJGB	
Cc1cc(N2CCCC2)ccc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	16282069	IMMHBPNPHSELDN-QRVIBDJDSA-N	426.314	4.868	50	40	IJGB	
CC(C)c1ccc(/C=N\NC(=O)[C@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	31857534	JMCSEIRPSXRGLZ-JTOGBTRBSA-N	438.531	4.898	50	40	IJGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)c1	408848700	SKMNWRHAVDECSS-OYKKKHCWSA-N	440.341	4.640	50	40	IJGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	409363139	UREVOSROPKYHCS-AFUMVMLFSA-N	438.325	4.590	50	40	IJGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1	948761	BDFMMGRBQXQDRX-HMMYKYKNSA-N	440.455	4.547	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc(Br)c1	2792909	NLGUAYJZUYTHPE-LSHDLFTRSA-N	447.672	4.825	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3cccnc3)c2C)c1	20243922	WZQYBRTYOJKSBU-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCCC)c(C)c1	27018801	VUSPGMLRWBYKLC-LTGZKZEYSA-N	426.520	4.846	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1	408586014	AJISOAGORALUDC-ZVHZXABRSA-N	440.341	4.558	50	40	IJGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cc2ccccc2o1	408820146	VOHNXVHPDDJFBD-QRVIBDJDSA-N	446.375	4.805	50	40	IJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc(Br)ccc2O)c1C	409063146	HRYLIJKPPVJZCU-WYMPLXKRSA-N	440.341	4.943	50	40	IJGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccccc1Cl	409266783	YKGGNXOQNPLLDT-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3	933860	YKXPSDQURMDERX-OAQYLSRUSA-N	427.847	4.988	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2cccs2)nnc1-c1ccc(C(C)(C)C)cc1	1301264	BZOYQRGUFSCFFB-LPYMAVHISA-N	427.599	4.566	50	40	IJGB	
COc1cc(N2CCCC2)ccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	108932884	FKKOBSQWICEXPY-SFQUDFHCSA-N	432.549	4.653	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1	408708996	WCTRJVXYOWETSD-QDHOTKECSA-N	426.948	4.537	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)NCc1ccc(Cl)cc1	408816747	VGLOZKFXSIYQSZ-XSFVSMFZSA-N	445.906	4.581	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1OC(=O)c1ccccc1	408899907	RTGDWRRJIULJHN-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OC	408903909	BCQAFNMNLSZWOQ-FBHDLOMBSA-N	440.725	4.974	50	40	IJGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C)c1ccccc1	408977834	FVHCZTCITGHDLF-VNSNFZHPSA-N	446.551	4.730	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccccc2F)cc1	409378310	NQRXMTFURIBNIQ-ZMFRSBBQSA-N	439.874	4.569	50	40	IJGB	
COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1	1260367	RCRCUFKYVFIBMI-LDADJPATSA-N	447.516	4.977	50	40	IJGB	
CCOc1ccc(C2=C(c3nc4ccccc4o3)[C@H](c3cccnc3)C(C#N)=C(N)O2)cc1	12139497	MTRMHUIFQQWYAE-JOCHJYFZSA-N	436.471	4.998	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NNC(=O)Cc1ccccc1	2672712	LMXPHXBRGQLWOO-RVDMUPIBSA-N	440.286	4.550	50	40	IJGB	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccccc1Cl	32109608	JBSXUPSATMPARC-DTBYZMGXSA-N	433.939	4.854	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc(Br)ccc3O)cc2)cc1	38534912	KLFNOLMMLVXFON-CFRMEGHHSA-N	439.309	4.806	50	40	IJGB	
CCCCCOc1ccc(CN2C(=O)/C(=N\NC(=O)c3ccccc3)c3ccccc32)cc1	46085124	HTNOYALWAIQHRI-FVDSYPCUSA-N	441.531	4.937	50	40	IJGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc3c(c2)OCO3)c(Cl)c1	408779272	UAEODXLPAJUDSP-WCSRMQSCSA-N	433.291	4.733	50	40	IJGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC	408807565	CQYUKVXWCDDWRS-NTEUORMPSA-N	445.700	4.669	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)cc2)c(OC)c1	408884297	UDKKCYYUZWVGIW-OEAKJJBVSA-N	442.515	4.815	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408904950	QXWFHYRIZYCLJM-RMJYUUNHSA-N	445.859	4.944	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1	409075596	XLEJOIMGRWIUTH-MOSHPQCFSA-N	428.444	4.518	50	40	IJGB	
C#CCOc1c(CC=C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC	409203633	ZOAJRHFZDKOOSZ-MFKUBSTISA-N	442.968	4.722	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1O	409325907	CQXKDRNKSJDHBU-QQXSKIMKSA-N	434.492	4.533	50	40	IJGB	
O=C(N/N=C\c1cccc(I)c1)C(c1ccccc1)c1ccccc1	409392953	UJJYVMVGNWTEPD-HAHDFKILSA-N	440.284	4.573	50	40	IJGB	
Cc1ccc2c(c1Br)/C(=N/NC(=O)c1sc3ccccc3c1Cl)C(=O)N2	17748367	CNBGEQYZCIKOLV-UHFFFAOYSA-N	448.729	4.712	50	40	IJGB	
CCCC/C(C)=N/NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1	58925377	OYTWWJCHGKYKED-HAVVHWLPSA-N	435.977	4.526	50	40	IJGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)ccc1OCc1ccccc1	59473605	PVIVSAHFQDCVRV-CVKSISIWSA-N	434.561	4.966	50	40	IJGB	
O=C(CCCC(=O)Nc1ccc(Br)cc1)N/N=C/c1cccc2ccccc12	59505988	UEYJTYLWMKKEMA-BUVRLJJBSA-N	438.325	4.861	50	40	IJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408735810	YBJFBXVNKSMBRJ-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)c1	408766631	WCJAVXBLZKQDCD-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc(Br)c1	408846795	SCKQNUNGWKVVEJ-CIAFOILYSA-N	447.130	4.766	50	40	IJGB	
CCOc1c(Br)cc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC	408778200	QUPGFLSMNIQVLW-RMORIDSASA-N	445.235	4.639	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	1904616	WOWDISCRLIOZMQ-FSJBWODESA-N	433.346	4.809	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccccc2Cl)nnc1-c1ccc(Cl)cc1	12465031	CVDQLEGMNDBHLV-YDZHTSKRSA-N	448.379	4.904	50	40	IJGB	
Cc1noc(C)c1C(=O)OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	18032342	NZEDKSOGLMCSNX-RPPGKUMJSA-N	445.397	4.534	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1	33930916	CIKFKJJXYYFQPZ-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
CCOc1ccccc1NC(=O)[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1	35374612	RBHLVBJLARAEPT-VKCJIPKCSA-N	426.472	4.915	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1ccccc1	408545343	YAAOHKXOGJUHLA-BKUYFWCQSA-N	442.471	4.908	50	40	IJGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C	408592386	XYCZCSOZDVAALG-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1	408745817	VTGJERAVTYLUFZ-KAMYIIQDSA-N	448.391	4.707	50	40	IJGB	
COc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1OC	408981684	CKGRSVZFLFXJOT-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1	9553962	LWFVBJQAZSPCLU-MUFRIFMGSA-N	441.462	4.760	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1	32181136	YVLTXBGSKLXUHO-XDHOZWIPSA-N	446.434	4.657	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C	223154118	XQMPJCNUGCTMRC-ZMFRSBBQSA-N	436.943	4.762	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)cc1	408758293	IKIQPDGVHVTSKY-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1	408810552	MHFCZXKNVOXMRD-MDWZMJQESA-N	434.721	4.723	50	40	IJGB	
O=C(NNC(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1	655109	XDBNQAIOAXCLRE-UHFFFAOYSA-N	433.266	4.786	50	40	IJGB	
O=C(COc1cccc(Br)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	1433588	HELPECLYXNZVOR-SSDVNMTOSA-N	433.689	4.892	50	40	IJGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC)cc2)c(OC)c1	27563370	FANSOMOVIIKYIZ-VMIIEYAXSA-N	448.519	4.536	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	33777615	KLEUXPVXRMYWIS-SRZZPIQSSA-N	436.405	4.742	50	40	IJGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1OCC	409184844	OKLVXGHJWFDLGG-PKAZHMFMSA-N	446.503	4.735	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC	409321238	HBKRXOJKQKDQDL-ZMFRSBBQSA-N	442.874	4.839	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ncc(Br)cc2[nH]1	5942063	QUUQHZHJMNPCHS-KPKJPENVSA-N	436.225	4.953	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C	9455785	VPSMZVGPSFINAK-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	59101611	RPCCFUXMXHMTTQ-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1	408893186	CYNQHDSFCGPNDS-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4C(=O)O)c3C)cc2c1	409188535	ZZETVSAGZHJNTM-WGARJPEWSA-N	445.475	4.701	50	40	IJGB	
Cc1cc(OCc2ccc(C(=O)NNC(=S)NC3CCCCC3)o2)cc(C)c1Cl	2809067	BWGXHFPXCRWNFY-UHFFFAOYSA-N	435.977	4.570	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2c[nH]nc2-c2ccccc2)sc2c1CCCC2	8722726	RNEXDXQHFMBJGJ-VBKFSLOCSA-N	446.532	4.739	50	40	IJGB	
C=CCOc1cc(Cl)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC	16688183	QREIQFQQBVHUKC-HXUWFJFHSA-N	428.916	4.754	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1	408708993	WCTRJVXYOWETSD-ADUFITKSSA-N	426.948	4.537	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1	408900230	UHDXAHJUETVTQW-XDHOZWIPSA-N	429.432	4.728	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1OC	1106585	WCORUSNBUXZXSS-DNTJNYDQSA-N	432.101	4.537	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1C	3015603	WFBBANQQEBFYJB-FSJBWODESA-N	433.346	4.593	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(/N=C/N3CCCC3)Oc3c2c(C)nn3-c2ccccc2)cc1	9583943	RTSROBOITGWNOH-MRAZWZEMSA-N	439.519	4.573	50	40	IJGB	
CCN(CC)C(=O)c1ccc(N2C(N)=C(C#N)[C@H](c3cccs3)C3=C2CCCC3=O)cc1	96136989	WRJJNBWGBRWYQA-JOCHJYFZSA-N	446.576	4.535	50	40	IJGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1OCC	408956864	YVRCKYOGKOWSCD-WQRHYEAKSA-N	437.927	4.885	50	40	IJGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(CSc2ccccc2)cc1	408999473	LHQFOALPKXYNBZ-BUVRLJJBSA-N	434.521	4.717	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccccc1	409134033	ROBQKMDUKCCHAN-FCHUYYIVSA-N	428.513	4.511	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1	1761645	OBZVFZVXSSJHEK-SRZZPIQSSA-N	448.482	4.972	50	40	IJGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	3009047	REMXJEBEPFBNOH-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(Br)cc3)c2)cc1	3112038	VTKCLOKBPGGQSZ-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	8721804	MRCJFALIWMVDDH-MJGLRYBLSA-N	446.301	4.894	50	40	IJGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2cccc(Br)c2)cs1	9076514	JPNNJRLQQNOBTB-GXDHUFHOSA-N	425.311	4.648	50	40	IJGB	
COc1ccccc1[C@H]1CC(=O)N2CN(c3ccc(C)c(Cl)c3)CSC2=C1C#N	9693303	CFCUXZMMZUUPKF-QGZVFWFLSA-N	425.941	4.877	50	40	IJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C	12555910	NCOQKOJXSIQXCF-NTEUORMPSA-N	430.258	4.610	50	40	IJGB	
Cc1cc(C(=O)Oc2ccc(/C=N\NC(=O)c3ccccc3Cl)cc2)ccc1[N+](=O)[O-]	30735222	AYXVRYQPCXRSSP-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccc(F)cc3)c2)cc1	33764491	SBTGZFHEMWKUPR-UYRXBGFRSA-N	429.451	4.697	50	40	IJGB	
Cc1ccc(OC/C(=N\NC(=O)c2ccc(O)cc2)c2ccc(Br)cc2)cc1	408734333	OGYLFQATCBWUJE-DARPEHSRSA-N	439.309	4.676	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC(C)=O	408756906	VDLQLBJVTXXETA-AWNIVKPZSA-N	449.688	4.582	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2C)cc1	408816789	ZFCCHQCGZKSXSU-JJIBRWJFSA-N	441.531	4.537	50	40	IJGB	
COC(=O)c1ccc(C(=O)OC)c(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c1	1299805	XFEYJABSIYESPR-SFQUDFHCSA-N	447.516	4.977	50	40	IJGB	
CC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1	12250202	FDDQWJQCPXTPOH-QFIPXVFZSA-N	437.952	4.997	50	40	IJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1	38167935	LZUXFQLWNFBWGJ-WGOQTCKBSA-N	440.459	4.830	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102443347	IIIUFKZCGHUVEK-HXUWFJFHSA-N	426.538	4.897	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408788524	KRKNAVHLKPBOOD-LDADJPATSA-N	444.403	4.628	50	40	IJGB	
COCCNC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2Cl)c2ccccc12	408804294	XCTUQDKDKIRZSI-GZTJUZNOSA-N	442.346	4.974	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)cc1	408995009	KNMIZLWUMIBWSU-WGARJPEWSA-N	432.549	4.679	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1	58916646	JNSNGWMXXGODTK-ZTKZIYFRSA-N	441.575	4.914	50	40	IJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408993432	CUXUPMXCVLYIJP-FVQJWRHTSA-N	446.960	4.869	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2cccc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1	2269235	MSAOVTWLAIDHKD-MFKUBSTISA-N	435.597	4.813	50	40	IJGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc(C(=O)O)c1	6239364	HWMRMLKNUHAEBP-ODLFYWEKSA-N	425.444	4.913	50	40	IJGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2OCCC)C(C#N)=C(N)O3)cc1	9329334	QPBONLWFHBQMMQ-OAQYLSRUSA-N	430.508	4.872	50	40	IJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(Br)ccc1Br	20195508	VAISAJRACRJVCW-FYJGNVAPSA-N	438.163	4.911	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59224491	WUYOAOQUNSLKPP-UKTHLTGXSA-N	438.783	4.962	50	40	IJGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	408763345	PERORHGFKSBYQS-AFUMVMLFSA-N	431.517	4.958	50	40	IJGB	
CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	409186340	APOVAMIXACSWEL-DHDCSXOGSA-N	433.291	4.869	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OCc1ccccc1	3368882	LJMPDNSPWKMIEC-JVWAILMASA-N	426.472	4.897	50	40	IJGB	
CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C\c2cc(OC)ccc2OCC)cc1	5245187	XONVKNXGLOPWLA-UEVJXJNKSA-N	428.529	4.581	50	40	IJGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	9630828	XNCVPDMKJWUVKF-CVLFLDGLSA-N	445.544	4.621	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1	59245262	FKGHEOBPDLTISU-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1F	107640005	WRQYXTLVPNZKNT-LDADJPATSA-N	447.422	4.824	50	40	IJGB	
COc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2)cc1	409376173	VKPNAJHLFUYUAV-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
C[C@H](NC(=S)NNC(=O)c1ccc(COc2ccccc2Cl)cc1)c1ccccc1	2795535	QROGYMWQMJYROF-INIZCTEOSA-N	439.968	4.789	50	40	IJGB	
Cc1cc(C(=O)NNC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccc1	3331473	GLORMAAOGITTIF-UHFFFAOYSA-N	439.515	4.601	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1OC	9693275	YYWIKSYTFXFYAT-IBGZPJMESA-N	435.549	4.622	50	40	IJGB	
O=S(=O)(Nc1ccc(SC(F)(F)F)cc1)c1ccc(CBr)cc1	96029395	VLYDVHRPBRWJLK-UHFFFAOYSA-N	426.279	4.994	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1	209280489	SKMNSULDASQHGZ-UYRXBGFRSA-N	432.451	4.968	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc(Cl)c1O	408742029	UKIBYXJMAGGOON-BHGWPJFGSA-N	432.307	4.879	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OCc1ccccc1	408967359	QDEWVDZDBWKONV-UVHMKAGCSA-N	437.858	4.702	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1	58913685	GVFDXIQNAZDZGF-JFLMPSFJSA-N	444.922	4.990	50	40	IJGB	
N#C/C(C(=O)CSc1nnc(C2CC2)n1C1CC1)=C1/Nc2cc(Cl)ccc2S1	102818722	AUZZJMJRZWYIFH-QGOAFFKASA-N	429.958	4.758	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)c(C)c1	409049745	YFYZJWNXUWPVDG-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COc1cc(/C=N\NC(=O)CNc2ccc(C)c(C)c2)c([N+](=O)[O-])cc1Oc1ccccc1	409205764	TXJQPDIYXNUDRS-WGARJPEWSA-N	448.479	4.575	50	40	IJGB	
N#Cc1ccc(COc2cccc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2)cc1	9204422	YAOZVPJARJZTRK-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc2[nH]c3ccccc3c2c1)c1ccccc1	408981138	UVDGKBBJGIAOMA-VUEBRRCKSA-N	428.492	4.649	50	40	IJGB	
O=C(N/N=C/C1=C(Sc2nc3ccccc3o2)CCCC1)[C@@H]1COc2ccccc2O1	3191356	DUYZGTGODIBWMR-AFEQLLIESA-N	435.505	4.690	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC	15357210	YIDLYRRUHZRTAL-PXNMLYILSA-N	439.924	4.950	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1F	408738432	XKXSAZUHAAZPIJ-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	408762084	CMXVQVQQECROJU-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1ccc(C)cc1	408778821	LWQOZXAVUAPYGJ-NVMNQCDNSA-N	443.341	4.777	50	40	IJGB	
C#CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC	409023565	YWCPSVURKCWWJE-YSMPRRRNSA-N	436.895	4.989	50	40	IJGB	
CCCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	33644363	VNPZOFRBLBLFSA-NTEUORMPSA-N	433.277	4.931	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Br)cc1OCC#N	408794418	JARVPBIACCBACI-MHWRWJLKSA-N	440.297	4.604	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccccc1C#N	408968745	YOYOFBACQNRRTG-FJEPWZHXSA-N	435.462	4.644	50	40	IJGB	
Cc1ccc(-n2c(N(C)C)nc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2Cl)cc1	12521736	XRXQZZMFLQKTIZ-WFVLPUPGSA-N	433.943	4.685	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Br)c1OCc1ccccc1Cl	13942437	ZKEINNBUMJBGIJ-UFFVCSGVSA-N	441.709	4.770	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccc([N+](=O)[O-])cc3)c2C)cc1	58926783	RIHAANCWCLDJDZ-ZMOGYAJESA-N	436.537	4.694	50	40	IJGB	
C=C(Nc1ccccc1N)/C(C#N)=C/c1cc(I)c(O)c(OCC)c1	108300504	PXSMSTLPKYQDJI-RIYZIHGNSA-N	447.276	4.510	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1	408535286	YJAHMLWJXFOTKP-KVSWJAHQSA-N	432.421	4.814	50	40	IJGB	
CCOc1cc(C)c(/C=N/NC(=O)COc2ccc(Br)cc2)cc1C(C)C	408850358	MALOLZYURXZMBT-FSJBWODESA-N	433.346	4.809	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1	408973702	PJNXISFFZMHYAG-RBABYGSYSA-N	443.572	4.576	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc1OC	408973754	UUNAAMNAPRAFIP-AFPJDJCSSA-N	439.320	4.998	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1	409139645	CEWULBPMKBOQDT-RUZDIDTESA-N	443.547	4.703	50	40	IJGB	
CC(C)Sc1nc(NNC(=O)c2ccccc2)c2c3c(sc2n1)COC(C)(C)C3	2399927	FQBZAIOZZDDAAS-UHFFFAOYSA-N	428.583	4.800	50	40	IJGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1Oc1ccccc1	6190341	XZFZPZYTQMDUSQ-UZYVYHOESA-N	425.488	4.861	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1	8811027	RFDPISPBHFSTCK-MZJWZYIUSA-N	431.467	4.610	50	40	IJGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc(OC)c1OC	9427518	PYIUZZOZHBSICV-GXDHUFHOSA-N	437.477	4.541	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1)Nc1cccc(Cl)c1	28215347	PCRRMXYOLOAJRR-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(C(F)(F)F)c1	33293710	HLVXEQWQSBHCLW-BRJLIKDPSA-N	430.386	4.785	50	40	IJGB	
O=C1c2ccccc2C(=O)N1S[C@H]1[C@@H](Cl)[C@@H]2C=C[C@@H]1c1c(F)c(F)c(F)c(F)c12	100052445	RJAQGBXKEOSJMD-BOYRZZKLSA-N	439.817	4.914	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1ccc(Cl)cc1	409089257	ZGZWLMNZJODVKS-CFRMEGHHSA-N	439.855	4.600	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccc1Br	409242102	LWMYWTUCLMWOFM-CFRMEGHHSA-N	428.305	4.689	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1	409244266	AJALRUROCFPVJI-PVFDWLMNSA-N	427.504	4.665	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)/C(=C\c1cccs1)NC(=O)c1ccccc1	3139220	PVEOPHGPQHCEQK-ZOXVAVCCSA-N	444.343	4.976	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)c1	4047951	ZTTQEXKDOLEWPW-VUTHCHCSSA-N	437.543	4.789	50	40	IJGB	
CSc1ccc(/C=C(/C#N)c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1	12953165	ZDAKAUMIGQBHTR-VBKFSLOCSA-N	431.542	4.768	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccc(C)cc3)c2C)cc1	20243856	YYZSBQRGJUOXIP-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(I)c1O	36085608	BXDHYFNWZOMSPI-QPEQYQDCSA-N	445.260	4.644	50	40	IJGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2cccc(Br)c2)cc1	58871131	HQDNDKAYVNDAJP-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(Br)c1OC	408598829	KCMPPVNJLXMFPF-YDZHTSKRSA-N	433.346	4.918	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	408888675	YSYHABMZDLFOMO-GXDHUFHOSA-N	448.391	4.626	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc(Br)c1	8780914	RGUAQQGAUIQAAD-GDNBJRDFSA-N	437.249	4.953	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])o1	408890427	SXOLHEDANYIXBV-GXDHUFHOSA-N	448.391	4.626	50	40	IJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	408891473	RCOGJQOPQOWGDO-LTGZKZEYSA-N	446.528	4.871	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2c(Cl)cccc2Cl)nnc1-c1ccc(C)cc1	9762834	GQYCYQNNERYNPX-KSEXSDGBSA-N	448.379	4.823	50	40	IJGB	
COc1cc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)ccc1OCc1ccc(C)cc1	18148618	CORFCGCRBHUXAT-JVWAILMASA-N	440.503	4.737	50	40	IJGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3OC)o2)c1C	108011431	LWSHYZYUQJUHKO-JFLMPSFJSA-N	442.471	4.967	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCC#N	408792953	MRGXXZNURCCGRC-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1C(=O)O	408887860	RQPVGDWLMQKNDD-UKTHLTGXSA-N	437.795	4.752	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	409208119	AZVQGOOKOHMVLT-YBEGLDIGSA-N	427.254	4.832	50	40	IJGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1OCC	409324300	SBWGKRLGNWLJAD-UQQQWYQISA-N	428.529	4.826	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1COc1ccc(C(C)(C)C)cc1	1107287	LFSKNPYNHMFCLZ-QHCPKHFHSA-N	444.535	4.821	50	40	IJGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C)cc2)cc1	1439524	VNISJBYBBCRBMN-QNGOZBTKSA-N	426.472	4.906	50	40	IJGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	33678661	JCUBKHQFYDOUQD-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C\c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	208466179	AMJIETCRFDDHFG-MXAYSNPKSA-N	427.932	4.509	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)c2C)c1	408592541	ZBLCXJIJMQVPAO-JVWAILMASA-N	431.536	4.580	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1cc2cc(Cl)ccc2o1	408949836	CMCAKXJINICUBX-NGYBGAFCSA-N	446.482	4.968	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C#N)cc4)c3C)cc2c1	409187706	UBMSONGXSKNZQW-DICXZTSXSA-N	426.476	4.875	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)o1	8842922	YDYSWSZJJSSOED-ROTLSHHCSA-N	431.370	4.875	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(Br)cc1)c1ccc(F)cc1	12798833	CZRAEMMJAVSIDG-RKPNYOAGSA-N	439.288	4.763	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(C#N)cc1	35314345	CWEARFRLSFAEMM-DHRITJCHSA-N	443.488	4.853	50	40	IJGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1	83301792	RIOLBBZLEDMEDM-SECKTWPTSA-N	446.547	4.937	50	40	IJGB	
CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	940844	UCQRVKSXVRVIMM-SFQUDFHCSA-N	448.500	4.852	50	40	IJGB	
Cc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(Br)cc3)CSC2=C1C#N	9693127	ZRXHCJMXCNTPRO-SFHVURJKSA-N	440.366	4.977	50	40	IJGB	
CSc1ccc(/C=C2\CNCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1	12371884	HFJDDCKHGKRXBV-BVZCLVNKSA-N	433.602	4.879	50	40	IJGB	
C/C(CC(=O)Nc1cc(Cl)cc(Cl)c1)=N\NC(=O)c1ccccc1Br	12628678	NLWSLOPDVKGNAA-LSHDLFTRSA-N	443.128	4.890	50	40	IJGB	
N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)[C@@H]1c1c[nH]nc1-c1ccccc1	13959783	GDPJIASQWUUBAL-NRFANRHFSA-N	446.470	4.741	50	40	IJGB	
O=C(NNC(=O)c1cc(-c2ccco2)nc2ccccc12)c1cccc(C(F)(F)F)c1	14358771	DESCALRQOGSORK-UHFFFAOYSA-N	425.366	4.588	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)c(OC)c1	36618849	UFXSIWYIODJDAI-NRFANRHFSA-N	430.508	4.511	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1C	408611875	XFYJZPBDTLVNAH-FQEVSTJZSA-N	447.510	4.518	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)cc1	408795779	MNYKMQWUZPFGQC-OQLLNIDSSA-N	444.274	4.618	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1Cl	408904691	NDYBIRUGHGRLHZ-YVNNLAQVSA-N	434.235	4.977	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	409235092	AXCVYHQMPFGFFJ-VYYCAZPPSA-N	434.540	4.738	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)c1	409264921	LUQWXNZNMYMDCK-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
C[C@H](Br)[C@H](OC(=O)c1ccccc1)c1cc2c(cc1Br)OCO2	1628449	LLZUKDFNUHDNRA-QFYYESIMSA-N	442.103	4.859	50	40	IJGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(CNc2ccccc2)o1	2339748	APJSLLZWXUEZSN-CVKSISIWSA-N	433.899	4.803	50	40	IJGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)Nc3cccc(Cl)c3)cc2)n1	3242187	IUERWYKSFJTGHQ-UHFFFAOYSA-N	441.944	4.506	50	40	IJGB	
CCCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)ccc1OC	5918994	ZOGJIDNLLLDQSY-IBGZPJMESA-N	436.899	4.746	50	40	IJGB	
Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C	6286325	HGEQKGXWOGGBAT-JVWAILMASA-N	425.536	4.720	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	223172357	OOYGBZUHCRRVQW-QNGOZBTKSA-N	443.503	4.825	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1	409049138	UZVJYOJTPKACDZ-QGOAFFKASA-N	425.444	4.918	50	40	IJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCC	409067262	CERDYBOQPWQWNW-XSFVSMFZSA-N	434.492	4.545	50	40	IJGB	
COc1ccc2c(-c3ccccc3)cc(SCC(=O)NNC(=O)c3cccs3)nc2c1	12542064	JCAVXMYPEXUBSD-UHFFFAOYSA-N	449.557	4.525	50	40	IJGB	
Cc1nnc(SCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)s1	16158157	VPHQNCBSHCBXJL-FBCYGCLPSA-N	427.338	4.656	50	40	IJGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	207827626	ULEYLJQMABHMEV-AYCSXLNKSA-N	429.314	4.641	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1C	408592052	XHCWEGAILKGFBA-OGLMXYFKSA-N	445.563	4.871	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OCc1ccc(F)cc1	408889236	BQPNLNUZEZBHBV-JFLMPSFJSA-N	436.483	4.884	50	40	IJGB	
COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409204131	BXBHZFOFOBFTGG-NQLRXCNRSA-N	433.895	4.685	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)cc1	8842870	SMYXNBNRRVWWKG-MOSHPQCFSA-N	429.476	4.737	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)c2ccc(F)cc2)cc1	19639692	PQIJHFKINYTHLJ-WYMPLXKRSA-N	444.260	4.588	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCCOc1ccccc1C	409205404	QDUYVWXBVYAAET-XSFVSMFZSA-N	448.544	4.746	50	40	IJGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)c2)cc1	409226753	WLAJHFDJUFEUNQ-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(F)cc3)o2)cc1Br	409351930	XQXOGLOXXNXKFV-BHGWPJFGSA-N	430.277	4.719	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc([N+](=O)[O-])cc1	409365355	QPAMCIMDJWEATH-GRSHGNNSSA-N	430.416	4.975	50	40	IJGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)cc1	6577041	NHRWFZXWMCOFCE-SFHVURJKSA-N	425.941	4.958	50	40	IJGB	aggregator
Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)cc1	15134813	CMFAFWBIYNTWBB-LGJNPRDNSA-N	439.560	4.584	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1	28215368	VKTKMRUONKIMNN-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nn2-c2cccc(C)c2)cc1	408723934	AQFIIYVQNCZTHK-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC#N)c(Br)c1	408745208	QFDNNXUMQFEORM-ZSOIEALJSA-N	430.689	4.859	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1	408891120	LTXDLBSSCCOFNS-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408960425	FRXOUTKTVINDMC-DHRITJCHSA-N	433.395	4.823	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)n1	409249059	RYJLDDQWZMQGBJ-AFPJDJCSSA-N	435.336	4.903	50	40	IJGB	
C[C@@H](C(=O)NNC(=S)Nc1cccc2ccccc12)n1nc(C(F)(F)F)cc1C1CC1	2794052	JZSINIPGKNFJGY-LBPRGKRZSA-N	447.486	4.511	50	40	IJGB	
CCOc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	9409334	SDVPTHQOULSKQH-IBGZPJMESA-N	425.941	4.958	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)c1ccc([N+](=O)[O-])c(Cl)c1	14923626	MHWXZTCLMWRDAT-LSFURLLWSA-N	443.674	4.690	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)Nc1ccc(C#N)cc1	408605913	NKAGXJGZEYIICX-XDHOZWIPSA-N	449.470	4.525	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	408791784	CKFHQFJKJFFDOX-KGENOOAVSA-N	442.471	4.606	50	40	IJGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	15220079	MNSBUHVLKZLDLS-MYWDQFHLSA-N	438.440	4.572	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1cccc(C(=O)O)c1	108218173	XLDAFSQYKDABSQ-LCYFTJDESA-N	437.795	4.752	50	40	IJGB	
O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1ccccc1[N+](=O)[O-]	408763409	NZFPFURZUDMLIW-WGOQTCKBSA-N	439.427	4.731	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OS(=O)(=O)c1ccccc1	409065675	KFBWHHUDHVXLRC-GHRIWEEISA-N	432.457	4.668	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1	409261917	FIPHCHPXIKFUDF-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)n1	409380487	FMEXYCFCLBKJPA-MDWZMJQESA-N	441.241	4.678	50	40	IJGB	
CCOc1cc(C(=O)N/N=C(\C)c2cccc(Br)c2)cc(OCC)c1OCC	19648593	NQVOVWIABXPGBF-OEAKJJBVSA-N	449.345	4.799	50	40	IJGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1C	30843269	ZRRTYIFSTOUZQC-WGARJPEWSA-N	436.895	4.705	50	40	IJGB	
COc1cc(/C=N\NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Br)cc1	33352424	OPHPYURHIZYFCW-UUYOSTAYSA-N	449.301	4.536	50	40	IJGB	
CSC(/N=C/N(C)C)=C(\C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	109359072	UFDWTORMQBJKGO-WNBUZNHOSA-N	430.537	4.626	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1	408691785	QALQFYHBHYUNMS-BRJLIKDPSA-N	443.320	4.558	50	40	IJGB	
Cc1[nH]nc2c1[C@H](c1ccc(OCc3ccc(Cl)c(Cl)c3)cc1)C(C#N)=C(N)O2	409134544	SATKZZYEYPEZSK-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Cl)c3)c2C)cc1	409187200	NGQOBTMTNGKXQG-QFEZKATASA-N	425.916	4.675	50	40	IJGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OCC	409192257	WBBUDVIOLDUQMG-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1Br	409314655	GQUGTVIUUQHFIG-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	10475800	NTWYOLGMZKZLPP-YDZHTSKRSA-N	427.844	4.600	50	40	IJGB	
Cc1c(/C=N\NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1Cc1ccccc1	33352423	HATYPMBEYVOTFQ-YUMHPJSZSA-N	425.488	4.533	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)cc1	408772933	OBCJUEPLZGGWOX-LGMDPLHJSA-N	430.420	4.726	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OCC)c2)cc1OCC	409326464	KKDDSZLQMPZBRS-MYYYXRDXSA-N	446.931	4.865	50	40	IJGB	
Cc1ccc(COc2ccc(Cl)cc2[C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	639213	GZORFOKOAOHNQJ-NRFANRHFSA-N	434.879	4.707	50	40	IJGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)cc1	726363	XHTWTEOUKQJDIZ-WPWMEQJKSA-N	443.503	4.654	50	40	IJGB	
N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@@H]1c1cccnc1	969232	FAGXSGLUEVGTJU-HXUWFJFHSA-N	442.544	4.501	50	40	IJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2cc(Br)ccc2F)C(C#N)=C(N)O3)cc1	985592	VNNXYRBTESXHEE-MRXNPFEDSA-N	425.261	4.505	50	40	IJGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1	9587601	LKACLDJMZZDANP-OPEKNORGSA-N	445.350	4.693	50	40	IJGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc1Br	408786043	KHKROSOWSAKWCC-NVNXTCNLSA-N	445.313	4.799	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(OC)cc1	408878749	CZVOCSFQMIQOHN-HMMYKYKNSA-N	442.471	4.859	50	40	IJGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1Cl	409020836	UNILTEPXQJQJSX-WSDLNYQXSA-N	428.901	4.590	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2)cc1	409147816	WARUEGNFSDIMBR-YZSQISJMSA-N	449.576	4.707	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccccc1OCc1ccc(C(=O)O)cc1	100252468	FRHACJYUOLWMAI-JAIQZWGSSA-N	448.482	4.972	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)c1O	408725079	NYZXMGZFERBPTL-JVWAILMASA-N	440.503	4.634	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccccc1	409144082	NXHXOBSSYGUQFY-VXKWHMMOSA-N	428.513	4.511	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(NC(=O)c2ccccc2)c1	409184132	IYXSXESPGOXBND-AFUMVMLFSA-N	436.855	4.655	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccccc1	409230335	YICKCFDOJOVPHI-IGCAKMCNSA-N	443.478	4.628	50	40	IJGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(OCc2ccccc2)c1	3226739	NBXAQBBBUIISLQ-CCVNUDIWSA-N	427.426	4.847	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)NCc1ccccc1	8983804	BNHWWGKAVXTASR-CIAFOILYSA-N	446.890	4.841	50	40	IJGB	
CCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1	12983161	UJDGBTWOSGDAMX-UHFFFAOYSA-N	433.489	4.544	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccc(F)cc2)c1	33729766	ROLWOPXLRNQJIU-UYRXBGFRSA-N	429.451	4.697	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677811	VBGFRCAPBGKHIM-DTVDJLOLSA-N	444.373	4.991	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1C	409137107	VCDWVGHUECLKMI-UHFFFAOYSA-N	447.988	4.588	50	40	IJGB	
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409159013	YTPQRJYYZSNACI-BTSCWMHGSA-N	438.959	4.780	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1	9019390	PDYWCQQRQMSTPG-QRVIBDJDSA-N	448.379	4.904	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1OCc1ccc(Br)cc1	9296279	NXOXYOJIVGEBPP-JOCHJYFZSA-N	449.304	4.952	50	40	IJGB	
CCn1cccc1/C=N\NC(=O)c1ccc(COc2ccc(-n3c(C)ccc3C)cc2)o1	33710089	VMEPUOYXAKHLPR-QQXSKIMKSA-N	430.508	4.851	50	40	IJGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccc(Oc2ccccc2)cc1	59459736	ZNQUEKRNMOXKTI-VULFUBBASA-N	427.382	4.587	50	40	IJGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	59473571	XZZVXKGROYKLPA-AFUMVMLFSA-N	449.532	4.866	50	40	IJGB	
CCO[P@@](=O)(c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)oc1N1CCCCC1	101434004	RFTTVQBAFKLZPW-HKBQPEDESA-N	441.424	4.506	50	40	IJGB	
O=[n+]1c(Sc2ccccc2)c(CBr)n(O)c2cc(C(F)(F)F)ccc21	137341562	CDIMYHWLAUVJOT-UHFFFAOYSA-N	432.241	4.858	50	40	IJGB	
C=C1C[C@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@@H]1CCCO	210458149	JXVLJWBTAZZVKK-JYFHCDHNSA-N	438.684	4.829	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	408761723	KZVNBQKSFVQIPH-LTGZKZEYSA-N	440.455	4.628	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC)c(Br)c2)cc1	408766069	ZBSVTJYSSQORPY-LFIBNONCSA-N	443.297	4.570	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	408781460	SNDTWVWCZZNSDB-IUXPMGMMSA-N	443.887	4.657	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1cccc(C)c1	408908972	BETDOFQHNVJEEY-JFLMPSFJSA-N	432.520	4.729	50	40	IJGB	
O=C(N/N=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12)c1ccccc1O	409063275	JUPPVRXMAHYMIL-RAWMCFOBSA-N	436.830	4.684	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1F	409137285	WNJJCJINBIEOTG-DEOSSOPVSA-N	432.451	4.727	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OC(C)C	8448546	RYMFCYZPCBSXON-HSZRJFAPSA-N	430.508	4.503	50	40	IJGB	
CCOc1ccccc1NC(=O)c1c(NC(=O)CBr)sc2c1CCCC2	8842948	PXUPVRROIWBXFN-UHFFFAOYSA-N	437.359	4.611	50	40	IJGB	
O=C(Cc1csc(-c2cccs2)n1)NNC(=O)c1cc2c(s1)CCCCCC2	12698368	CGVQQPLGMGJDQR-UHFFFAOYSA-N	431.608	4.596	50	40	IJGB	
CCCCOc1cc(Br)c(/C=C(\C#N)C(=O)NCc2cccs2)cc1OC	59534581	IXWPALQXGDFTLB-OQLLNIDSSA-N	449.370	4.921	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1cccc(C)c1	408678412	YTCOQAMUGWOBHR-MTDXEUNCSA-N	443.547	4.947	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccc(F)cc1	409196963	TZRJKGKCYMASLM-MGZHSMRGSA-N	431.467	4.561	50	40	IJGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)cc1	5710460	UXDYQHIZUJAMBA-QHCPKHFHSA-N	447.560	4.951	50	40	IJGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)c2)n1	8781359	BONCLRYKDHSDJI-OGLMXYFKSA-N	438.531	4.891	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccs1	9446719	VLXIWFMBVLDIMD-RCDICMHDSA-N	438.512	4.800	50	40	IJGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1OC	9861024	OABDLBJBAFUOTN-QGZVFWFLSA-N	443.290	4.619	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)cc2)cc1	28214080	CMJDDNFVMFXDBP-JHKMYFMNSA-N	447.560	4.643	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OCc1cccc2ccccc12	59922007	UYYBKPWZGWAWCI-LQKURTRISA-N	425.488	4.976	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408588685	JIHNYHGGNHUORL-CVKSISIWSA-N	442.475	4.928	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(N2CCCC2)cc1	408677643	TYIGERUVBMGIEP-OYKKKHCWSA-N	438.871	4.872	50	40	IJGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)NCc1ccccc1	408740115	IHIRPLPSWGLCAC-LDADJPATSA-N	444.403	4.519	50	40	IJGB	
CCOC(=O)c1c(Nc2ccc(Cl)cc2)oc(/C=N/NC(=O)c2ccncc2)c1Cl	408808413	GMAMTBSSCOMVOG-BHGWPJFGSA-N	447.278	4.666	50	40	IJGB	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408879925	HWHHKCKLWWLYMN-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc(Br)ccc3O)c2C)c1C	409067744	ZGEPFRCMINGCQK-MSXFZWOLSA-N	440.341	4.943	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)n1	409249760	OKKHUXXSSYLMOO-BHGWPJFGSA-N	441.988	4.705	50	40	IJGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C/c3ccccc3OC(F)F)cc2)n1	3234638	FLCIRKNMMKKTEA-BRJLIKDPSA-N	442.491	4.751	50	40	IJGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)c(C)c4)c32)cc1OC	8442088	YIMRMCNSEWJQPQ-NRFANRHFSA-N	430.508	4.709	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)c1	8811029	XMOUPMVVFILJPR-JFLMPSFJSA-N	427.504	4.779	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3[N+](=O)[O-])o2)c(Br)c1	33644441	DIWIZIQHGPZFFY-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)ccc1Cl	409376483	YIXDMPRWDXBWOG-BOPFTXTBSA-N	437.883	4.872	50	40	IJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)c1	1445529	NXQQZMCDYUVBBV-BHGWPJFGSA-N	428.330	4.891	50	40	IJGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nnc3n2CCCCC3)cc1	9443391	RDHHVMZJBLMORZ-CAPFRKAQSA-N	436.519	4.930	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Cl	33733714	NLNZFNCRHPFTQX-DHRITJCHSA-N	427.287	4.931	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	58913238	UUAUIRPIPYWAON-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)N1CCN(c2ccccc2)CC1	59333346	HRMNQAJVMQPMDK-NKFKGCMQSA-N	441.506	4.660	50	40	IJGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1	408934645	FLQDBFBPTJUWFF-WQRHYEAKSA-N	444.403	4.628	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	408941964	RAUJSDCUXREUBX-UVHMKAGCSA-N	442.441	4.510	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)cc(Br)c3O)cc2c1	409186542	DMTVSVSIMGTPSV-NKVSQWTQSA-N	437.677	4.717	50	40	IJGB	
COc1cc(OC)c([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CC[C@H](C(C)(C)C)C[C@@H]32)cc1OC	1073806	XPUFJDNCDUJFAM-KXNSMUHISA-N	446.551	4.578	50	40	IJGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	1439543	WGRSULWHDLUJFH-XMHGGMMESA-N	430.435	4.737	50	40	IJGB	
Cc1cc(C(=O)COC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c(C)n1Cc1cccs1	10021643	BMCWXLFBPMCYPE-DEDYPNTBSA-N	447.560	4.614	50	40	IJGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	13151504	ABFWCJHIHKBIMJ-MXAYSNPKSA-N	449.382	4.690	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(C)[nH]1	105573560	JUEXNHFUVTWRDP-WGARJPEWSA-N	430.508	4.975	50	40	IJGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408886785	JCASXCJIKQKQTD-LDADJPATSA-N	446.846	4.803	50	40	IJGB	
O=C(COc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1Cl)Nc1ccccc1	409260638	TVHKXVHQKTVVTC-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
O=S(=O)(C[C@@H](Br)c1ccccc1)C[C@@H](Br)c1ccccc1	1592168	DGFZIVSUZAVFBF-HZPDHXFCSA-N	432.177	4.674	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1	1815772	OKFNGOHFIULHHA-FOKLQQMPSA-N	448.379	4.823	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC[C@@H]1CCCO1	2800802	SOJSGRGZALDMLE-YZILGEIOSA-N	431.319	4.775	50	40	IJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	4291092	BSEURSLCBMLTHM-GXDHUFHOSA-N	430.258	4.692	50	40	IJGB	
CCCCCCSC1=C(C#N)[C@H](c2cc(Br)c(O)c(OC)c2)CC(=O)N1	9110624	RUGCEPCUEOWKEW-ZDUSSCGKSA-N	439.375	4.815	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1OCc1ccccc1	32581114	SQUPWGSZXRCJJE-VULFUBBASA-N	438.911	4.765	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCCC(C)C)cc1Cl	408709137	XYHYRWNXAMYZPA-BRJLIKDPSA-N	435.355	4.658	50	40	IJGB	
COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C	408855428	DFUDWCCXJHAGQL-MSXFZWOLSA-N	440.887	4.610	50	40	IJGB	
CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(OCC)c1	408858327	RUGVSGZWXABCTJ-UUYOSTAYSA-N	431.286	4.757	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)o1	408955338	UDXRXSZNWBRQLF-PDGQHHTCSA-N	440.459	4.910	50	40	IJGB	
COC(=O)c1ccc(Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)o1	409393937	TWJXNCYLPYTHRJ-ZMFRSBBQSA-N	441.443	4.579	50	40	IJGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)c1	9693346	VAVGOLLRMQVHSI-SFHVURJKSA-N	425.941	4.877	50	40	IJGB	
C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1ccc(-n2ccnc2)cc1	12600816	YOTQXUVXEYGYGP-WGOQTCKBSA-N	440.532	4.735	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)[C@H]1COc2ccccc2O1	16526307	WYJQFBVKCKXEPH-BGUYBBADSA-N	438.483	4.709	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1	23723820	NLAWCQKMTFKORR-FZVPUQAXSA-N	449.507	4.784	50	40	IJGB	
CCOc1c(Cl)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	38195914	UFGYNIPVWKJBMJ-YSMPRRRNSA-N	443.330	4.778	50	40	IJGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2NC(=O)N(CCCl)N=O	118930580	RVNKEMCEVCMAJM-SAMXRDCWSA-N	426.001	4.690	50	40	IJGB	
Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)cc1C	872814	PVIOAMSCDGCXBW-VOZFUJEASA-N	443.547	4.539	50	40	IJGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	2673535	JSGQXIYNVNUTNH-AEIQVQRHSA-N	436.895	4.785	50	40	IJGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	3085407	SIOMDCHDVAMKFJ-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1ccc(OCCOc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1C	13940469	PKTLZLWWFZUFFU-JJIBRWJFSA-N	426.516	4.985	50	40	IJGB	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)NNc1cccc(C(F)(F)F)c1	58505856	ZGSUYAIOJNGZOL-UHFFFAOYSA-N	426.801	4.808	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1	59297438	FDCRBJVDRIBIMF-SFQUDFHCSA-N	431.404	4.577	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1	408935610	IBZQFRSOVDUMDK-MOSHPQCFSA-N	430.435	4.737	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccccc1C#N	408980439	WPJOUWNNBZMTQJ-WSDLNYQXSA-N	426.476	4.597	50	40	IJGB	
Cc1cc2c(c(=O)n1Cc1cccs1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	1266727	CGEVJKBNZOAJGV-KRWDZBQOSA-N	444.343	4.792	50	40	IJGB	
CC(C)c1nc(SCC(=O)NNC(=O)C2CCCCC2)c2c3c(sc2n1)CCCC3	1377470	BCDKBTHJKCVZIG-UHFFFAOYSA-N	446.642	4.513	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@@H]1c1ccccc1F	12276886	UHUIVKXGGGGLEH-OAHLLOKOSA-N	449.429	4.555	50	40	IJGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c1C	58912847	UPGWHVDINMBOMB-JFLMPSFJSA-N	430.552	4.923	50	40	IJGB	
CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccccc1F	217712101	COBRIVCYAKPJJY-UHFFFAOYSA-N	434.632	4.787	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)cc(C)c1OCc1ccc(Br)cc1	408851810	ACHAWCZASPASIJ-DHRITJCHSA-N	438.325	4.804	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccs1	9579540	VLXIWFMBVLDIMD-PEBXRYMYSA-N	438.512	4.800	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1cc(Cl)ccc1OCc1ccccc1Cl)C(C#N)=C(N)O2	32511751	KPNJJQFHFOGCSB-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1	102874610	BPHWCUFKKGOSKE-XIPYDIPCSA-N	430.895	4.513	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2C)cc1	408804906	CDVHRUCNLIWSKB-QOYRBXCSSA-N	433.552	4.873	50	40	IJGB	
C=CCOc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408811982	NGZGZIRXVZGHHD-UUYOSTAYSA-N	429.270	4.533	50	40	IJGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)o1	409189103	IOCSWZIGDMUSJN-BHGWPJFGSA-N	447.274	4.569	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccccc3)cc2Cl)c1C	409248383	FYPAZAVGPXPVCE-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccc2c(c1)OCO2	1106826	NOYHRJHOLCVTMW-OPEKNORGSA-N	435.867	4.986	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	1782554	FAWQNBFYJOQGQB-YSRRJJCPSA-N	439.737	4.727	50	40	IJGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC	2730477	RDFKIEVHHLIMLP-DNTJNYDQSA-N	432.101	4.537	50	40	IJGB	
CCCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccccc2F)cc1	3090609	MTCCMWWZFNYQNP-WTIJGKOKSA-N	445.494	4.536	50	40	IJGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1	10387031	DVABIGJMCJLTPH-UHFFFAOYSA-N	433.686	4.533	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)cc1Cl	59399109	QXZJLSALACAOKY-AUEPDCJTSA-N	431.235	4.853	50	40	IJGB	
O=C(CCc1c[nH]c2ccccc12)N/N=C\c1ccc(N(CCCl)CCCl)cc1	104390939	MUMUGGRSZGUDNG-YSMPRRRNSA-N	431.367	4.535	50	40	IJGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc(Br)c3)cc21	208206023	APQQLUGENGHOSZ-IZVPMIMASA-N	444.373	4.700	50	40	IJGB	
CCc1ccccc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccc(C)cc1	408862774	LYYOYBARDJZJAY-UHFFFAOYSA-N	441.597	4.579	50	40	IJGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OC(C)C)c(Br)c3)oc12	408972631	QCJMVUPIEVBWAZ-SSDVNMTOSA-N	431.286	4.755	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)ccc1O	3193640	TYLMRWCUJRKVQI-VULFUBBASA-N	446.894	4.671	50	40	IJGB	
CCC(C)(C)C1CCC(=NNC(=O)c2c(Br)c(C(F)(F)F)nn2C)CC1	17101127	RRRXJLLIXQZIKH-UHFFFAOYSA-N	437.304	4.914	50	40	IJGB	
O=C(N/N=C\C(Br)=C\c1ccccc1)[C@H]1COc2cc3ccccc3cc2O1	57476877	IAZPECNVYCBUQO-YRGTXMLRSA-N	437.293	4.518	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	58917507	UGEHTNACMOEQGX-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	67192623	YNTSPMACKKEZGD-YVNNLAQVSA-N	434.235	4.691	50	40	IJGB	
N#C/C(=C1/OC(=O)C(c2ccc(Br)cc2)=C1O)c1ccc(Br)cc1	104276177	GWAWAPZOGFVAHO-VKAVYKQESA-N	447.082	4.972	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	408884030	XPGOJMGNSQJJOC-XNTDXEJSSA-N	442.269	4.776	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1C	408935550	GABYMGYJOORUAI-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COc1cccc(/C=N\NC(=O)Nc2cccc(C)c2C)c1OCc1ccc(C(=O)O)cc1	409187736	UHEKUBVIFKLTAQ-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
COc1ccc(/C=C/C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)cc1	409217200	AJYRIOAQKMHWTF-ZPACDPCRSA-N	434.879	4.731	50	40	IJGB	
COc1cccc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)c1	9411246	GMHKOEAOPCPRAL-QFIPXVFZSA-N	444.491	4.544	50	40	IJGB	
C[C@@H](CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1	9714606	HEUJVLVUIXNRBB-KRWDZBQOSA-N	444.560	4.810	50	40	IJGB	
Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccc(C(C)(C)C)cc3)ncnc21	17121565	SHBHEIHAXPXIDR-UHFFFAOYSA-N	434.931	4.832	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)c(OC)c2)cc1	408811208	MJYKERZBAAIMMX-UCQKPKSFSA-N	442.515	4.815	50	40	IJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	2349059	JSJJTQVIBFOLBU-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccsc1	9487477	CVAXVTAFSMQGHK-IVZQSRNASA-N	438.512	4.800	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl	40846866	XHLCCYAVFLHFBF-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1OC	71789922	IONBJZXZEQWLEE-KQLYMOGASA-N	434.399	4.832	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc2c(c1)OCO2	408850433	ACTILONOYUNBNX-ZMFRSBBQSA-N	444.443	4.513	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c(C)c1	408852659	MMEBWECDQNUULU-WGARJPEWSA-N	429.476	4.699	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc(Br)cc1	409200304	KPBRUYORPCZVEU-PFRKPPGBSA-N	435.325	4.614	50	40	IJGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1)Nc1ccc(Cl)cc1	409255477	ZZQAAKIAHDTZNH-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cccc(Cl)c2C)cc1	11121646	PWQPCSKKRAOMIY-UHFFFAOYSA-N	447.988	4.588	50	40	IJGB	
O=C1c2cccc3c(N4CCCC4)ccc(c23)C(=O)N1CCCCCCBr	67340223	HUXHGNKKVYWTQQ-UHFFFAOYSA-N	429.358	4.991	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(Br)c1OCC	408590878	QYQARGRGPXJAMI-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC	409147083	UUKCPFUEAYJIQJ-WSDLNYQXSA-N	427.353	4.784	50	40	IJGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccn(Cc2ccc(Br)cc2)n1	1086857	NTUWEPYMKVLQMU-ZVHZXABRSA-N	433.309	4.611	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c(OC)c1	2442127	VWQRISDQPYQOCB-SFHVURJKSA-N	441.940	4.577	50	40	IJGB	
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2C1	9693409	HIUQGWNCWCUYTB-QGZVFWFLSA-N	440.366	4.977	50	40	IJGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)ccc2OC)cc1	12590303	RKIBQJXGECSVOJ-QGOAFFKASA-N	446.434	4.608	50	40	IJGB	
Cc1cccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1	20247295	HSHJCQBARRTLND-IAWFGPOKSA-N	429.545	4.533	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(C#N)cc3)o2)cc1	33385787	HVYRZPHEWPCCFW-NTFVMDSBSA-N	438.487	4.902	50	40	IJGB	
CCOC(=O)c1c(Nc2cccc(Cl)c2)oc(/C=N/NC(=O)c2ccncc2)c1Cl	408809754	IWUVNLPKRQTBFW-BHGWPJFGSA-N	447.278	4.666	50	40	IJGB	
CN(C)c1ccc(-n2cccc2/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1	408854240	AQSAPQYUHIUNBR-USHMODERSA-N	438.531	4.739	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	409240156	FRZPSWMSGHCTGZ-LGMDPLHJSA-N	440.341	4.994	50	40	IJGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3Cl)c2)c1	2071445	NAFHRCFXXLUPCU-VULFUBBASA-N	436.895	4.705	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	35077416	SVMXPFPCLZUMMA-UYRXBGFRSA-N	435.480	4.538	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1I	408793987	RBMRMDABYFINLC-LFIBNONCSA-N	446.288	4.798	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1	409259216	YBMZXEGGJTZPTQ-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	9089432	BVXRDWFTYJODCL-FQEVSTJZSA-N	435.549	4.529	50	40	IJGB	
CCOC(=O)/C(CC(=O)c1ccc(C)cc1)=N/NC(=O)c1ccc(-c2ccccc2)cc1	59489096	UXGMHYUQOUUMEL-SLEBQGDGSA-N	428.488	4.584	50	40	IJGB	
CC(=NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(C)cc1	254623255	JIRDZQPACFQCKS-UHFFFAOYSA-N	441.560	4.875	50	40	IJGB	
COc1ccc2cc(/C=N/NC(=O)CSCc3ccccc3Cl)c(Cl)nc2c1	408860775	DWXAKCUMOSQZJT-AUEPDCJTSA-N	434.348	4.934	50	40	IJGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	2203613	ASIBKEAZRHYPEG-NRFANRHFSA-N	435.443	4.666	50	40	IJGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)ccc1O	6134809	APUQYVVSTBQUGZ-LJQANCHMSA-N	435.549	4.573	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc(Br)c1OCC	28605522	GQBALXIVFLOXJH-XNTDXEJSSA-N	445.313	4.801	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)o1	109040206	CBIMVVBPPHMZLH-WQRHYEAKSA-N	446.459	4.728	50	40	IJGB	
CCCCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(Cl)ccc1C	408706505	ALCDCSXGHCSFEV-DHRITJCHSA-N	435.355	4.802	50	40	IJGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	408800753	PFCQZMYPXGHDPB-OQLLNIDSSA-N	429.860	4.981	50	40	IJGB	
Cc1c(Br)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1Br	14134464	YWCXQTGUZTYOIG-AWQFTUOYSA-N	444.554	4.866	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)COc3ccccc3)ccc21	16162858	AJZNSMCMGACEFX-MTDXEUNCSA-N	442.519	4.714	50	40	IJGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	58913191	HMZZVUOCVNRVER-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	59266523	RKGXIZIJFMSZJO-XNTDXEJSSA-N	445.313	4.801	50	40	IJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2C#N)c(Br)c1	59334016	LGMUFAOPUYPBER-APSNUPSMSA-N	444.716	4.548	50	40	IJGB	
CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)n(C)c2ccccc2c1=O	102486231	KXMHUOMTBCAGBK-UHFFFAOYSA-N	443.588	4.706	50	40	IJGB	
OCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	138099668	WAKUXSKQHJFZNX-ZCFIWIBFSA-N	446.091	4.811	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C3=NN(c4ccccc4)[C@H](N)[C@H]3C#N)c2C)cc1	408757956	FAKJPQGIVLGDRD-GRKAIPTMSA-N	434.547	4.864	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C	408812271	MMQJGABQVWSJTG-BOPFTXTBSA-N	434.427	4.696	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1	408880702	KMEILWAXAUHLJP-CPNJWEJPSA-N	427.416	4.668	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1Br	408894122	JFRJHNRBANBMGQ-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccncc1	409144613	LHAAQKWESACGHR-WYMPLXKRSA-N	444.716	4.840	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1c(C)c(C)c(COc3ccc(F)cc3)c(C)c1C)C(C#N)=C(N)O2	1002765	PIXPYARZLZGRLU-HSZRJFAPSA-N	432.499	4.888	50	40	IJGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\C#N)C(=O)NCCc1ccccc1	15913472	RSPLPEUBKPNPGO-SFQUDFHCSA-N	425.319	4.753	50	40	IJGB	
COc1ccc2c(c1)c(C(=O)N/N=C\c1ccc(OCc3ccccc3)cc1)c(C)n2C	33350722	JXTQBQODWMWQLS-YUMHPJSZSA-N	427.504	4.838	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1OCc1ccccc1	408898840	NDINUOZIVZJLRM-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)c(F)c1	408968620	XYLZEZKWQZSVRW-FOKLQQMPSA-N	444.285	4.968	50	40	IJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OCc1ccc(C(=O)O)cc1	409186786	HVLMCUNTUAVRKO-STZFKDTASA-N	442.471	4.827	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1	409253963	WBDFITOQADBVAG-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	409366596	WVRRUJVDOLMCOQ-AUEPDCJTSA-N	433.251	4.724	50	40	IJGB	
COc1ccc(C(=O)NNc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	3174026	NAKQTPCTOJIZHL-UHFFFAOYSA-N	449.308	4.825	50	40	IJGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl	27022710	OMHOFSYKSCWRPA-JQIJEIRASA-N	442.862	4.686	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	35106931	SDCKPVCUNBPHAB-DHDCSXOGSA-N	440.297	4.640	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1	39884903	KRDKZECKVVJDCW-GHRIWEEISA-N	445.431	4.886	50	40	IJGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(-c2ccc(Cl)cc2)o1	408603735	GYMHATPNYJIIIZ-SFHVURJKSA-N	440.912	4.548	50	40	IJGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2OC)c1	408985279	LGKISHWRWOBDEN-CPNJWEJPSA-N	444.487	4.837	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409220803	GAMCYVMRZSVNKU-CJLVFECKSA-N	428.492	4.658	50	40	IJGB	
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)c1C	409273087	VHZBBTXTHAAMAF-OEAKJJBVSA-N	439.515	4.544	50	40	IJGB	
Cc1ccc(N2C(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)C3=C2CC(C)(C)CC3=O)cc1	705499	IIRNUVNPLTWMTO-QHCPKHFHSA-N	427.504	4.665	50	40	IJGB	
C=CCc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(OCc3ccccc3)cc2)c1O	2756938	VFYYVENQCWPRJH-VEMGOHLESA-N	430.504	4.617	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	28217301	PFZCVSPAFGTYGL-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccc(F)cc1	217711661	BJPJTSHMCSQBHJ-UHFFFAOYSA-N	434.632	4.787	50	40	IJGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)cc1	408706684	CDFXCWGZDOBGAT-VULFUBBASA-N	438.890	4.874	50	40	IJGB	
O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccc(CN2CCc3ccccc3C2)cc1	408992734	BJPWFRZEJUDWSC-MTDXEUNCSA-N	442.563	4.592	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3o2)cc1Cl	409009732	BPOXICLLJKFBRH-LITAXMHPSA-N	445.859	4.944	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1-n1cccc1	409185084	RUBDIYWZEVLMFS-BUVRLJJBSA-N	427.489	4.862	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1C#N	1411001	HUHGAVHBGNVLPN-HYARGMPZSA-N	429.520	4.892	50	40	IJGB	
CCOC(=O)C1=C(CSc2ccc(Cl)cc2)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	2597341	DGVZLIUTPIITNI-LJQANCHMSA-N	444.915	4.896	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1O	13950778	MICZLXPEISVECG-YDZHTSKRSA-N	425.282	4.594	50	40	IJGB	
FC(F)(F)C(F)(F)C(F)(F)O[C@@](F)(CCI)C(F)(F)F	95677041	HJDWQDVEEKHDLR-VKHMYHEASA-N	439.990	4.847	50	40	IJGB	
COc1cccc([C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1	169840216	QNLRECGCWBMDFX-SJORKVTESA-N	425.598	4.736	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c1	408743962	CTPUUATZZMPGOU-UVTDQMKNSA-N	448.391	4.707	50	40	IJGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	408760747	FIOVNZNDVPYVKI-MFKUBSTISA-N	425.529	4.978	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12	408880816	IQSURFWYLFCSFY-MZJWZYIUSA-N	433.895	4.929	50	40	IJGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(F)c3)nnc2-c2ccccc2)cc1	1829152	MCCWRRGXXDZJFF-CVKSISIWSA-N	445.523	4.624	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	10475807	AEEZNSOZOXVSCP-YDZHTSKRSA-N	427.844	4.600	50	40	IJGB	
O=C(Oc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1)c1cccc(F)c1	13371700	ABJXXYGMSAUZFJ-JFLMPSFJSA-N	428.419	4.668	50	40	IJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl)c1ccncc1	13689502	NJBHWGAVIBUEFO-YUMHPJSZSA-N	449.967	4.766	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)c1	58912851	INMFETHTSBFRTA-JFLMPSFJSA-N	430.552	4.923	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)c1	408969351	MLFVKDBKHZOYLY-JFLMPSFJSA-N	430.552	4.923	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(Br)ccc3O)c2C)cc1C	409063250	JKUXCDBTFPLGAC-MSXFZWOLSA-N	440.341	4.943	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(Br)c2)cc1OCC	409315090	HSJKIKWKAHQAKK-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1C	1096861	RALDFEOZBNDJEG-XIEYBQDHSA-N	438.575	4.967	50	40	IJGB	
N#CC(C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)=C1Nc2ccccc2N1	9633605	UORRUQKHUWFKQS-SFQUDFHCSA-N	445.475	4.813	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1	15945104	IVJIXOYYIQIRPV-HAUBNOCLSA-N	449.507	4.784	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc2c(c1)OCO2	59335318	FSKHWTOZTIDABI-JAIQZWGSSA-N	442.471	4.857	50	40	IJGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1cccc(C(=O)O)c1	408542846	OFJFKRAFTSQZPP-KAMYIIQDSA-N	430.445	4.551	50	40	IJGB	
O=C(Cc1csc(Nc2cccc(C(F)(F)F)c2)n1)N/N=C/c1c[nH]c2ccccc12	408841491	HHOXKDHHCWJJSW-KBKYJPHKSA-N	443.454	5.080	50	40	IJGB	
COc1ccc(OC)c([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1	2229237	FTJIXFYFNGABAO-KRWDZBQOSA-N	441.940	4.577	50	40	IJGB	aggregator
C=CCc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c1O	12363660	IKVDTRFCBZFHKK-CVKSISIWSA-N	433.895	4.790	50	40	IJGB	
COc1ccccc1CSC1=C(C#N)C2(CCCC2)[C@@H](c2nc(C)cs2)C(=O)N1	22988309	LULPWAAUXNOZQK-GOSISDBHSA-N	425.579	4.903	50	40	IJGB	
COc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)cc1OC	100295711	IONBJZXZEQWLEE-PSMQTCRGSA-N	434.399	4.832	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CCCCC2)c1	408707831	MCJUDLYRKRMEKR-AFUMVMLFSA-N	426.948	4.599	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1OC	408744337	KOSVHQRGAJHPCC-YBEGLDIGSA-N	427.298	4.877	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	408799661	ZWPDKCMGNJWSBW-XSFVSMFZSA-N	430.435	4.737	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OCC	408807751	HNBITTOSQFIKOB-GZTJUZNOSA-N	442.899	4.535	50	40	IJGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1	408814210	RZWJOKHMQARUDI-NDENLUEZSA-N	431.467	4.874	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2)cc1	408933278	AGFGIQKPJUTYGX-YSMPRRRNSA-N	427.460	4.523	50	40	IJGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	409366358	QSIIUTXFGYWLCI-FOKLQQMPSA-N	432.705	4.925	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1c(C)c(C)c(COc3ccc(F)cc3)c(C)c1C)C(C#N)=C(N)O2	1002764	PIXPYARZLZGRLU-QHCPKHFHSA-N	432.499	4.888	50	40	IJGB	
Cc1cccc(NCC(=O)N/N=C2/C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1	2344940	XIOHAVOJYDADSN-TVKQRKNISA-N	448.526	4.627	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(C(=O)O)c1	9261785	BAAQORNHBIMQCH-UDWIEESQSA-N	428.444	4.518	50	40	IJGB	
COc1ccc(/C(C)=N\NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1OC	9849707	GILZHZRTEOUWHY-DIBXZPPDSA-N	445.519	4.689	50	40	IJGB	
CC(C)(C)c1ccc(/C=N\NC(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)cc1	31783446	CQZOTFRMVIRGFU-VYYCAZPPSA-N	444.560	4.573	50	40	IJGB	
C(=N/Nc1nncc2ccccc12)\c1ccccc1P(c1ccccc1)c1ccccc1	97971099	COMQZDHDVHQWPH-ZTKZIYFRSA-N	432.467	4.834	50	40	IJGB	
CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	100839903	YJPMXWBHOAFREX-LGMDPLHJSA-N	435.505	4.981	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(I)c1OC	408580192	BBDPPUGTBWXLBX-OQLLNIDSSA-N	435.261	4.771	50	40	IJGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1Cl	408739765	FLOYNIHJNZYMKT-WMPMWDHYSA-N	447.926	4.502	50	40	IJGB	
COC(=O)[C@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1	409134034	ROBQKMDUKCCHAN-FGZHOGPDSA-N	428.513	4.511	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1OCC	409317572	QWJREHIYCQQJOL-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
O=C(NNc1nc(-c2ccccc2)no1)C1(c2cccc(Br)c2)CCCCC1	1543778155	XCWXPCBEJMPKTF-UHFFFAOYSA-N	441.329	4.844	50	40	IJGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2cc3ccccc3o2)cc1OCC	681291	CPHUBQNDRJUURX-WSDLNYQXSA-N	431.286	4.757	50	40	IJGB	
CCCCOCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615213	CELYSLKKVPJECL-BDJLRTHQSA-N	438.156	4.836	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1ccccc1	2235607	XIIDJZIJUIDUGW-KRWDZBQOSA-N	426.339	4.669	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccccc1-n1cccc1	4065276	UXQCFDPLCROLHD-LGJNPRDNSA-N	435.846	4.616	50	40	IJGB	
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NNC(=O)c1ccccc1	9255290	BJZBKXRNXKBHLL-UHFFFAOYSA-N	429.501	4.562	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	20197289	JXTQNFPCBDTRPJ-PCLIKHOPSA-N	433.464	4.727	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Oc2ccccc2)cc1	59444414	PAINKNMSDULYTJ-ZMOGYAJESA-N	428.275	4.875	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2cccc([N+](=O)[O-])c2)c1	408804489	AKMBDGZYPQJNKY-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc([N+](=O)[O-])cc1	408975905	COAXAYLFKZOIEC-UDWIEESQSA-N	446.463	4.633	50	40	IJGB	
CCc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1	409028288	LCSIIOFPLOOJOL-UHFFFAOYSA-N	441.597	4.661	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)C(=O)NCCCc1ccccc1	409233211	DIPHPUXEGMEFLA-QJOMJCCJSA-N	441.487	4.830	50	40	IJGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OCC	804023	YSIGCXZWEDXISC-HSZRJFAPSA-N	430.508	4.505	50	40	IJGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C2CC(C)(C)CC3=O)c1	1056566	LMBMGMGNDCYJLW-JOCHJYFZSA-N	428.492	4.844	50	40	IJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3cccc(F)c3)c2)cc1	6075457	YFGFVINMGWVIHC-LQKURTRISA-N	448.494	4.872	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1Br	26123518	YZEBEDDGMIOEAO-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1Cl	59332991	PTHNSCUQCMLVNE-AQTBWJFISA-N	442.346	4.814	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1	408851222	AJBWPIHAAQBSJS-YSMPRRRNSA-N	429.476	4.781	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)o2)cc1C(=O)O	408860009	XDIBDXOGWCFTNV-WGARJPEWSA-N	428.444	4.636	50	40	IJGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409035891	QWOKHUKGQPCQBN-TYNJROEQSA-N	447.498	4.656	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(C(=O)O)cc4)c3C)cc2c1	409188421	ZANKLOIVQKFHGF-WGARJPEWSA-N	445.475	4.701	50	40	IJGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1	409219024	MLGFKPOEQFZNOA-JPDAZOMVSA-N	449.850	4.631	50	40	IJGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(COc2ccc(Cl)cc2)c(C)cc1C	648243	XOSMHAFVHCAEFG-QFIPXVFZSA-N	438.911	4.791	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccn1-c1ccc(Cl)cc1	4083828	IKBYZSJXLJGXAK-WSDLNYQXSA-N	432.705	4.666	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	33778702	USHGATHBYKOXBJ-NHDPSOOVSA-N	436.405	4.742	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl	408787780	GEGOFZBNFJLQJF-VIZOYTHASA-N	433.291	4.708	50	40	IJGB	
N#C/C(=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)NCc1ccccc1	408924411	IOJINDLMFNNRDS-KGENOOAVSA-N	436.471	4.821	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccnc1	6474947	BYKNHVHAAZVMGN-HJPURHCSSA-N	449.539	4.602	50	40	IJGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1ccc(C(F)(F)F)cc1	408962762	UQRLCBRWCLCQBI-AQTBWJFISA-N	439.437	4.583	50	40	IJGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409230844	GINZNWBZKACHCB-PDGQHHTCSA-N	443.341	4.512	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1	409236329	DZFDCRVKAFNYQT-GFHXCNCHSA-N	427.460	4.958	50	40	IJGB	
COc1c(Br)cc(Cl)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	669286	ZDLOTHFCVYFENK-HNNXBMFYSA-N	437.721	4.562	50	40	IJGB	
CN(C)C[C@@H](C(=O)c1ccc(Br)cc1)[C@H](Br)c1ccccc1	1754538	VXHCUAYTNFNEFS-IAGOWNOFSA-N	425.164	4.946	50	40	IJGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1	3177650	UIKGLILQZWLJIP-VWLOTQADSA-N	447.496	4.678	50	40	IJGB	
CCCCN1C(=O)/C(=C\Nc2cc(Cl)ccc2Cl)C(=O)N(CCCCl)C1=O	8431385	MMWZKSNQBSTLTG-ACCUITESSA-N	432.735	4.509	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCC(=O)N1CCCC1	9187443	PYAVLCYUVLGXMU-DEDYPNTBSA-N	444.535	4.644	50	40	IJGB	
O=c1oc2ccccc2c(SSc2c([N+](=O)[O-])c(=O)oc3ccccc23)c1[N+](=O)[O-]	16525272	LSZBONHIMYBXHU-UHFFFAOYSA-N	444.402	4.515	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(C)cc1	408881721	OGUQHIWGVCFITK-DEDYPNTBSA-N	442.471	4.827	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)o2)cc1Cl	409002721	WNMXBLFAIVCSDX-RVDMUPIBSA-N	436.851	4.941	50	40	IJGB	
CC(C)[C@@]1(C)C[C@H]1NC(=O)NNC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	1673454480	UREQLSZNUCLWOL-ZEQKJWHPSA-N	431.536	4.797	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	9323484	LGKIYTTUWPPWON-VULFUBBASA-N	440.415	4.556	50	40	IJGB	
Cc1ccsc1CCN1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1	20348117	LTXGRPYBRAXIDU-QGZVFWFLSA-N	429.998	4.968	50	40	IJGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C/C=C\c3ccco3)nc3ccccc32)cc1	28351012	OCTXKYUBUAROHS-XDQQMYFJSA-N	430.533	4.894	50	40	IJGB	
[N-]=[N+]=N[C@@H]1OC(=O)C(Cl)=C1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	73294763	BTOQNPHNTXVOMO-OAQYLSRUSA-N	434.823	4.808	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c(C)c1	409232819	SFYHWJHNUPMTKK-YPFLROGLSA-N	441.531	4.974	50	40	IJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/C(Br)=C/c1ccccc1	9905700	KUCJIXKPUMZUKM-LCMWWGBVSA-N	428.113	4.910	50	40	IJGB	
CCOC(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	11617097	QLTRBTAKJSSPKJ-LGMDPLHJSA-N	431.404	4.577	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Br)c3)o2)cc1C	13751982	WLJHUPQNWZOJQN-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3cccc(Br)c3)o2)c1	15932194	IMKMWNJLXZWAAV-YVNNLAQVSA-N	447.672	4.825	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1ccc(F)cc1	28356416	OKQLVNVGJWXQAJ-PXLXIMEGSA-N	430.479	4.679	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1OCC(=O)Nc1ccccc1	408569283	MTESWQJDCXICKL-ATVHPVEESA-N	442.450	4.792	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1	408807634	DOALKSHHMGLGJW-MHWRWJLKSA-N	443.297	4.569	50	40	IJGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409039155	BSSIPZNMERENDN-VULFUBBASA-N	446.894	4.944	50	40	IJGB	
COc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409219548	RTLOJGHRKDKNHS-MXAYSNPKSA-N	443.286	4.985	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)cc1	2773886	QESCJCNUBFGGLW-LDADJPATSA-N	445.431	4.886	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CCSC)c2nc3ccccc3[nH]2)c1C	8826086	FQEPYLXCAVSTEL-SLTDHEAWSA-N	435.597	4.909	50	40	IJGB	
Cc1cc(Cl)ccc1OCc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)sc1C	8926777	FPXCFSFSTBICEP-IBGZPJMESA-N	426.929	4.847	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(Br)c4)CC(=O)N3C2)cc1	9693443	IVHXGNZHRYSIQR-GOSISDBHSA-N	440.366	4.977	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3ccccc3)c2C)c1	59104416	NMOIJKADSSRKFE-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)cc(Br)c1O	408782110	HNDOMSRMUYNUBX-NVNXTCNLSA-N	445.313	4.886	50	40	IJGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	408814814	SJEOSNCFSJYUQL-GEJDLCSGSA-N	442.151	4.519	50	40	IJGB	
COc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	1698970	CZIXWKTXPQIUKQ-LSDHHAIUSA-N	443.091	4.686	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc(Br)c1OCC	14134557	VIIJFDIDNICSLK-YDZHTSKRSA-N	433.346	4.556	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	58913226	BWVOBEUSKKQZKY-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)c1	408783794	RFCNSUMLONCWPN-MKMNVTDBSA-N	429.270	4.511	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408787906	HLJYGXDAPHWXGP-XNTDXEJSSA-N	443.297	4.664	50	40	IJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	408817659	NRDTYBRAAQFCKV-DHRITJCHSA-N	427.287	4.688	50	40	IJGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)o2)c([N+](=O)[O-])c1	408891265	NTADQRNRIZSRTP-NTEUORMPSA-N	448.391	4.626	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1F	408940092	NZBVMAXGRXQURY-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccccc1	409134040	ROBQKMDUKCCHAN-YADHBBJMSA-N	428.513	4.511	50	40	IJGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1	714157	LAHIYSBLWUGZGM-SFHVURJKSA-N	444.329	4.954	50	40	IJGB	
CCCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCCC)cc2)C(C#N)=C(N)O3)cc1	9460822	PAMSRXVGEKZTRN-OAQYLSRUSA-N	430.508	4.872	50	40	IJGB	
N#Cc1cccc(COc2ccccc2/C=N/NC(=O)c2ccccc2Br)c1	20760604	JJPZPEPNFGPGEK-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12	107793018	RZNWVUMREFCLRB-WGARJPEWSA-N	446.894	4.944	50	40	IJGB	
COc1cccc(C2(c3cccc(OC)c3)C[C@H]2C(=O)N/N=C/c2ccc(Cl)cc2)c1	2314699	LHPPAHFEAGMIOF-JEWPKMHUSA-N	434.923	4.814	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9057477	AYCSWVCTYSRLBN-FMIVXFBMSA-N	438.783	4.962	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCCOc1ccc(C)c(C)c1	9724292	FQXNFWIURYTODI-MTDXEUNCSA-N	447.535	4.709	50	40	IJGB	
CC(C)c1ccc(C=NNC(=O)[C@H](C)n2c(-c3ccccc3)nc3ccccc3c2=O)cc1	12082378	JMCSEIRPSXRGLZ-IBGZPJMESA-N	438.531	4.898	50	40	IJGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	33751546	UITKBNAWJBDYIM-NTUHNPAUSA-N	427.913	4.715	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccc(F)cc2)cc1	408869719	TXTJXEKGHSZFDQ-UHFFFAOYSA-N	445.560	4.546	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	409039260	CCKFNUFVXKFLAJ-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	409186085	WKGTWADUJGBSCI-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2OC(=O)c2ccccc2Cl)cc1	409219131	NMTMAXQIPTXSQD-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1OCC	409321996	VOMROIROACMIDQ-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1c(Oc2ccc(C(C)(C)C)cc2)nc2c(C)cccn2c1=O	2423816	IKBPTWQFGADHHQ-SAPNQHFASA-N	431.492	4.563	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc2ccccc2c1	33579361	UVNBFNSDAGQRTQ-QQXSKIMKSA-N	426.476	4.848	50	40	IJGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC	33618868	ADHQQTLWNSSTSG-GRRFOWRYSA-N	445.313	4.886	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(Br)c1OC	408761919	IIFZHQFNNQDZEV-YDZHTSKRSA-N	427.298	4.774	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(N(C)C)cc1	408964280	QKUJKKOTVSGARF-MZJWZYIUSA-N	428.458	4.943	50	40	IJGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409237016	URACHJOSHJJMSJ-PTNGSMBKSA-N	425.366	4.740	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OCc1cccc(F)c1	408541868	IGPBRKYVQPFNGG-GRSHGNNSSA-N	446.434	4.657	50	40	IJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	408795607	CMBPOKJFLWGVCA-RPJLVFAOSA-N	438.325	4.721	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OCC	408808290	FNTWNQWKPRLRCJ-WQRHYEAKSA-N	426.900	4.535	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)cc1[N+](=O)[O-]	408904314	HUKJAPQIEDGEQX-JJFYIABZSA-N	434.364	4.582	50	40	IJGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccc(O)cc1	409089794	KCUOYNBUJYAIFY-RVDMUPIBSA-N	446.375	4.547	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1	2321853	AXENGTBDBYBXST-SKRBABGKSA-N	425.945	4.526	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2)sc(C)c1C	2669839	OXZFQVFRENOOFO-AQTBWJFISA-N	425.554	4.934	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cc([N+](=O)[O-])ccc3F)n2)cc1OC	13647904	IBBAENDSOXOUHO-RAXLEYEMSA-N	426.429	4.851	50	40	IJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408886124	IEFCJWVYKHSHOC-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
N#C/C(=C/c1ccc(I)o1)c1ccc(I)cc1	409369599	QOCCALVWBMPHNO-YFHOEESVSA-N	447.013	4.553	50	40	IJGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1	674573	RLFUGVICVGUXKE-UHFFFAOYSA-N	429.520	4.620	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC	679819	KSBSNIKHRUERQG-CVKSISIWSA-N	429.476	4.974	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccco1	1436417	JAZPINWRUDOARD-WPWMEQJKSA-N	439.471	4.875	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	9693137	MFVFLUIYQBFDNU-IBGZPJMESA-N	425.941	4.958	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@H]1c1cccs1	9693387	NYXQXNLWIVMFGP-CQSZACIVSA-N	432.368	4.730	50	40	IJGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	32520609	QOGXUKGFHVNZPJ-DHRITJCHSA-N	434.496	4.523	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)c1	35085663	AACHPQVEMLITEF-MZJWZYIUSA-N	431.467	4.610	50	40	IJGB	
Cc1ccccc1OCCCN1C(=O)/C(=N\NC(=O)c2ccccc2Cl)c2ccccc21	46085177	ZCFVCVFBOFEGQQ-VYIQYICTSA-N	447.922	4.598	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(Cl)cc1	59334384	IWJBCVFKNSYFJH-NVNXTCNLSA-N	449.732	4.685	50	40	IJGB	
O=C(N/N=C\c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccn1	100567487	VETPOUSMTYVIFM-UUYOSTAYSA-N	435.490	4.515	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)c(C)n1-c1ccc(Cl)cc1	408779892	MZZGSWYIQNTWQO-JMUPCNFVSA-N	440.938	4.955	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(N2CCOCC2)o1)c1ccc(C(F)(F)F)cc1	408859010	SAZADYPVEWOAPW-LCYFTJDESA-N	427.220	4.962	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)c2C)cc1Cl	408974115	XIZGDDWXYNHOGO-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1)C(=O)Nc1cccc(Cl)c1	409064179	BZZQRMNXKVUDSM-GHRIWEEISA-N	438.892	4.653	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc([N+](=O)[O-])c3)c2[C@H]1c1ccc(Cl)c(Cl)c1	1097773	HVTSHISZZGUPRG-HNNXBMFYSA-N	428.235	4.510	50	40	IJGB	
O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1	18113708	WQEZXPKBAIIQKO-VULFUBBASA-N	446.894	4.779	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1	33767438	PFKGNGHQALSVGM-ZMFRSBBQSA-N	439.874	4.569	50	40	IJGB	
C/C(N)=C(\C#N)c1csc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1	104817795	CDEMVDDEAZYNTO-JXAWBTAJSA-N	442.500	4.691	50	40	IJGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	409317008	OAFPRNZAFLNFMB-QGZVFWFLSA-N	425.941	4.667	50	40	IJGB	
CC(C)Oc1ccc(Br)cc1[C@@H]1[C@@H]2CCCC=C2C(C#N)=C(N)C1(C#N)C#N	679067	LYNQVYBVZMTBAZ-UZLBHIALSA-N	437.341	4.830	50	40	IJGB	
CCC[C@H](Oc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	2674480	ZRAMBMVEKAWQLW-JZZXMACJSA-N	446.503	4.612	50	40	IJGB	
Cc1ccc(OCCn2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c3ccccc32)cc1C	6280458	XWTKNSARQCMKCD-XMMPIXPASA-N	439.519	4.587	50	40	IJGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1	8922314	ZHPFSTGFTPVKPX-JFLMPSFJSA-N	445.475	4.738	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(Cl)cc1	9831808	BHOJZLUNCPIVRI-QHCPKHFHSA-N	434.879	4.851	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1	10039088	CMFULIJETGWCLP-OPEKNORGSA-N	430.291	4.740	50	40	IJGB	
COc1c(Br)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1Br	30809168	LHKWFWCYGGRGQM-UWVJOHFNSA-N	446.526	4.638	50	40	IJGB	
O=C1CC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)=C(O)N1c1ccccc1	104153358	VCPNWQKKVPNWNH-UHFFFAOYSA-N	437.479	4.877	50	40	IJGB	
Cc1c(/C=N/NC(=O)CSCc2ccccc2Cl)c(Cl)nn1-c1ccccc1	408894499	QTZBNXAVYSJBGN-FOKLQQMPSA-N	433.364	4.871	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	409054451	GGBUXQHOQCMSAO-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COc1cc(C=C(C#N)C#N)cc(I)c1OCc1ccc(C)cc1	409209722	HMQSGPOPXPAMPK-UHFFFAOYSA-N	430.245	4.618	50	40	IJGB	
COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccccc3C#N)oc12	1098589	IVJFUOPWEFXEGM-JFLMPSFJSA-N	425.444	4.656	50	40	IJGB	
Cc1ccc(C(=O)NNC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1	1339850	LCNCVOIEAUSIKK-UHFFFAOYSA-N	441.556	4.687	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(CCCC3=O)N2)c(C)c1	13174380	MTWRIXYIAGJFBJ-QFIPXVFZSA-N	433.533	4.697	50	40	IJGB	
C[C@@H]1CCCC/C1=N/NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	13882125	NZBOFFGRBCITRH-QSUUMFCUSA-N	428.330	4.997	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c1	35131665	LXQYAAPDAOGECU-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
CCOc1cc(C(=O)N/N=C\c2ccc3c(c2)C[C@@H](C)O3)ccc1OCc1ccccc1	408710939	YWAYFSIDVBHOSX-ZQZJVFIWSA-N	430.504	4.752	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(I)c2O)c1	408745527	NJJXHFAUUADPRZ-SDQBBNPISA-N	438.652	4.504	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c2C)cc1	408804901	CDVHRUCNLIWSKB-FVBNPYMHSA-N	433.552	4.873	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(OCC)c2)cc1	408868718	PTTZDKYDPACMLU-CXUHLZMHSA-N	443.297	4.570	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408922426	FEFDATXTWCDEPF-LGJNPRDNSA-N	442.874	4.839	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409008273	UXRWDZAKEHHDCT-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/C(Br)=C/c1ccccc1	3254923	ORIODVFGPXVZSX-MMKPZMNBSA-N	426.236	4.655	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccccc1O	8895360	OJGMLWIEDVRAJO-BUVRLJJBSA-N	439.309	4.888	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccc(OC)cc4[nH]3)c2C)c1	9263613	IRDSZGGZRBUZLE-YBFXNURJSA-N	426.476	4.830	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc(C(=O)O)c1	59249113	SWPMJCDQUQMDOX-MTJSOVHGSA-N	442.471	4.827	50	40	IJGB	
CN1/C(=C(\C#N)C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)Sc2ccccc21	103089813	WZBVRNNXFFHKPH-XLNRJJMWSA-N	445.573	4.783	50	40	IJGB	
O=C1OC[C@@H]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)/C1=C/c1ccccc1	104381700	RPJPEHMEPRADSV-GXLIRQFNSA-N	436.491	4.722	50	40	IJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl	408726300	AZKRIENUWFIMDC-ZVBGSRNCSA-N	435.292	4.692	50	40	IJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C	408780288	AOWSOWOVKRPTDP-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1Cl	409012597	KQVSPMLROIHFFK-YSRRJJCPSA-N	439.737	4.809	50	40	IJGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC	409051983	HLSKKXVEJMXJBT-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1	409244125	YDLWUXPCMIGXAB-RMORIDSASA-N	436.226	4.994	50	40	IJGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@@H](C)C2	2670698	ZRMGYWLPGWARAM-WDGDVPDHSA-N	439.493	4.503	50	40	IJGB	
COc1cc(OC)c([C@H]2[C@@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	9008595	PMUOFPWAARLTGP-XSSDXNQZSA-N	446.551	4.578	50	40	IJGB	
N#C/C(=C\c1c(N2CCCCCC2)nc2ccccn2c1=O)c1nc2ccccc2s1	9075720	FZSWAOBSLFBBMX-BMRADRMJSA-N	427.533	4.749	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1Br	12555902	VZBUSBBBXNFHNA-XYOKQWHBSA-N	436.103	4.766	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1	40006572	HMHCUWLLGULVHD-SRKIZSPNSA-N	440.927	4.520	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	58884638	ALTBKCWZBQYUTA-HCGXMYGOSA-N	438.620	4.754	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408724601	CFSLFMAHVITLBZ-UYRXBGFRSA-N	429.432	4.728	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(Br)cc1	408830459	YKIVSUNTIFSJGF-RGVLZGJSSA-N	438.119	4.540	50	40	IJGB	
CCOc1ccc2nc(Sc3ccc(/C=N/NC(=O)c4ccccc4O)o3)sc2c1	2325782	AEOPDKPJWHREDO-WSDLNYQXSA-N	439.518	4.909	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C(=O)O)cc1	13389609	RGIUIELPWQZGTH-XDHOZWIPSA-N	425.444	4.913	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccc(Br)cc1	408995263	BEKZPMZKFJFFKZ-CIAFOILYSA-N	428.311	4.527	50	40	IJGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21	2785236	UUGHNDHFQFFXNP-LCYFTJDESA-N	428.275	4.667	50	40	IJGB	
N#C/C(=C\c1cn(CC(=O)NCCc2ccccc2)c2ccccc12)c1nc2ccccc2[nH]1	9187428	CYUSCBWANYOQGX-LTGZKZEYSA-N	445.526	4.941	50	40	IJGB	
Cc1cc(OCC(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)c(C(C)C)cc1Cl	14017336	ZQKLXZHTSGRILE-UHFFFAOYSA-N	439.899	4.536	50	40	IJGB	
Cc1cccc(C)c1N1C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408648190	JTCGSVVDBYQILG-HKUYNNGSSA-N	448.346	4.733	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1	409041574	KAVHODAGCTUSDM-UYRXBGFRSA-N	428.444	4.518	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC	409366403	UWUAOPJXRSSUBJ-CVKSISIWSA-N	438.911	4.629	50	40	IJGB	
COc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1cccc2ccccc12	409380348	LFTGQMHGVNGXJD-STBIYBPSSA-N	445.563	4.800	50	40	IJGB	
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Br)cc2)cs1	9075586	AALRSPAFCVEOFC-UVTDQMKNSA-N	425.311	4.648	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(=O)c1cccs1	13838406	ARAWUOJTOJIBJC-FSJBWODESA-N	428.897	4.702	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccccc3O)c2C)cc1	20243882	DIHHDTGQWMRYBI-FSJBWODESA-N	426.314	4.635	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccc(Br)c1	59502281	JUJAOUAXFRXVFL-RGVLZGJSSA-N	438.119	4.540	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)cc1OC	408725481	QASJUZRPZXTQLR-WPWMEQJKSA-N	440.503	4.629	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)NCc1ccccc1	408799412	YZAKASGTJUHNMK-XSFVSMFZSA-N	445.906	4.581	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C(O)(c1ccccc1)c1ccccc1	408885930	GZYUPICARMHTDF-ZTKZIYFRSA-N	436.511	4.652	50	40	IJGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1	409022571	BJATVIYFQREFLM-NHDPSOOVSA-N	447.925	4.990	50	40	IJGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1Cl	9934437	XKKVWJLPPAIVEF-WSDLNYQXSA-N	440.799	4.713	50	40	IJGB	
Cc1cccc2c(CCNS(=O)(=O)c3ccc([C@@H](C)CCBr)cc3)c[nH]c12	13943009	UQQMXULCTWTCDW-HNNXBMFYSA-N	449.414	4.886	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)[C@@H](O)c1ccccc1	14134671	MEBKVKIUIMITCR-LHXREVONSA-N	429.303	4.756	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2cccc(F)c2)c1	408708138	OHYUIBQZBKFZBM-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	408737739	WHMNHQHOXOHMOY-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
C#CCOc1c(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc(Br)cc1OC	408830136	YCVCRYAAFJJSDP-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc(Cl)c1OC	408904806	OXYRYIXVSWYMOK-UKWGHVSLSA-N	426.698	4.584	50	40	IJGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1	409227266	YTGFEMOLPIKCNG-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)ccc1Cl	9846775	CQVXYPLSAPLMJQ-LGJNPRDNSA-N	440.858	4.536	50	40	IJGB	
CCOC(=O)[C@H](C)SC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	13175739	YGNZKCPTTZUEHN-JTSKRJEESA-N	447.560	4.706	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(C)\C=C\c2ccccc2)nnc1-c1ccc(Cl)cc1	13882265	CFFMAYJJRRCNMH-UDISVKFSSA-N	439.972	4.916	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1C	13894593	RNDNXEANRKBFGP-VULFUBBASA-N	435.911	4.738	50	40	IJGB	
c1ccc([PH]2(c3ccccc3)CC[PH](c3ccccc3)(c3ccccc3)CC2)cc1	103835596	SBQYHNPFMAKSIU-UHFFFAOYSA-N	428.496	4.802	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408827229	ICXYXUXUMMNVPI-OGLMXYFKSA-N	440.499	4.957	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1	140026220	ZPGHEHGQOQSGAC-CJLVFECKSA-N	426.472	4.988	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl	408590004	NURPMXSGBKTLNO-YSURURNPSA-N	430.291	4.894	50	40	IJGB	
COc1ccc2cc(/C=N/NC(=O)CSCc3cc(C)cc(C)c3)c(Cl)nc2c1	408864075	SMFTVRAWSIZJLJ-BHGWPJFGSA-N	427.957	4.897	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OC	408869218	RJZLVQSJFKDTGF-GZTJUZNOSA-N	439.309	4.578	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408872884	KPUMAMUEJAGKSH-LZYBPNLTSA-N	446.288	4.852	50	40	IJGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1	409019238	QDYVNGZBDZNIIU-MBTHVWNTSA-N	445.906	4.996	50	40	IJGB	
COC(=O)[C@@H]1C(=O)NC(SCc2ccc(Cl)c(Cl)c2)=C(C#N)[C@H]1c1ccccc1	409131431	XXWRSLQKQLFMJU-MSOLQXFVSA-N	447.343	4.665	50	40	IJGB	
CCOC(=O)/C(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccc(F)cc2)CC1	2535316	WVHIJAMYZBXHNF-LOYGXUSZSA-N	439.918	4.655	50	40	IJGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3Cl)cc2)c1	3170544	GRXXUVIICHFTSJ-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34C[C@@H]5C[C@@H](CC(O)(C5)C3)C4)cc2)cc1	15906639	OGNQNIMZUDMOQL-ZWRBBVPRSA-N	428.532	4.824	50	40	IJGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1	33687898	RUQVHKYRHOXMIA-AQTBWJFISA-N	438.443	4.849	50	40	IJGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408728681	RIRJJUIHSHTRLR-MUXKCCDJSA-N	425.463	4.969	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408829376	NTZSFWHTIFNMAV-OQLLNIDSSA-N	430.888	4.700	50	40	IJGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)o2)c1C	409232358	QGWBKTNMVBLOKI-SILNSSARSA-N	428.488	4.698	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(Br)cc1OC	409241739	UJRDRPMHOUQAJB-XGHPXPSOSA-N	429.314	4.641	50	40	IJGB	
Cc1cccc(/C=C(\C#N)S(=O)(=O)c2cc(Br)ccc2Br)c1	3344217	KWWHXRFOWNVTMN-RIYZIHGNSA-N	441.144	4.858	50	40	IJGB	
CC/C(=N\NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1	8780683	FSFTZOZAYCQDHK-DARPEHSRSA-N	428.374	4.592	50	40	IJGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)NCc1ccccc1	13137676	QPYOVURUFPARGY-WOJGMQOQSA-N	425.319	4.770	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C)c1	15938612	YUMALFRDGHAJGT-KSEXSDGBSA-N	427.844	4.654	50	40	IJGB	
CC(C)(C)C(=O)Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1	59498838	HHSITUJUNMTSTR-AFUMVMLFSA-N	445.548	4.522	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OCc1ccccc1	408757008	VOPCPCMWWZOJGU-YDZHTSKRSA-N	443.297	4.784	50	40	IJGB	
C#CCOc1c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Br)cc1OC	408810522	JLNFSNPAEXYDEF-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
Cc1c(Br)cc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)cc1Br	408879944	HWZOETFMNCJHFS-USNSJAMLSA-N	428.168	4.796	50	40	IJGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc(OCc3ccccc3)c2)[nH]n1	9088076	XKKIMKQJJFLGMI-LQKURTRISA-N	435.487	4.901	50	40	IJGB	
COc1cccc(/C=C/C(C)=N\NC(=O)COc2ccc(OCc3ccccc3)cc2)c1	16136595	KQPRKIRFQBLJCI-ZOWNDHRNSA-N	430.504	4.859	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OCc1ccccc1	17646404	YAYOLLCOZABTOY-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C	408743157	DZQLWEVYGXNSQG-UNOMPAQXSA-N	430.464	4.865	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)c(OC)c1	408868729	OGASKOQOFCSKRP-CIAFOILYSA-N	446.478	4.645	50	40	IJGB	
COC(=O)c1ccc([C@@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	409325773	AXCTYJFNTDXPSC-NRFANRHFSA-N	428.513	4.898	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)cc1	409390040	BREGVTMLCUPLRT-LQKURTRISA-N	426.520	4.818	50	40	IJGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc(Br)cc3)c2)c1	3470619	KQFYIHIWORJZCE-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
CCCn1c(C)c(/C=N/NC(=O)c2cc(Br)ccc2OC)c2ccccc21	8812971	XWEUEHAXBRWHQP-YDZHTSKRSA-N	428.330	4.895	50	40	IJGB	
N#Cc1cccc(COc2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)cc2)c1	9204349	FFKAIXYYHJFYAA-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)c1	33654681	UKDAEQPXAAMKNQ-RWPZCVJISA-N	445.494	4.918	50	40	IJGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	33714428	SEOVHNWEUCCPQN-KHAFMBKQSA-N	428.872	4.770	50	40	IJGB	
O=C(N/N=C\c1cccc(OCc2cccc3ccccc23)c1)c1cc([N+](=O)[O-])ccc1O	35189647	YTIDHIZMUVXONJ-YSMPRRRNSA-N	441.443	4.797	50	40	IJGB	
COc1cccc2c(/C=N/NC(=O)c3ccc(NC(C)=O)cc3)c(-c3ccccc3)[nH]c12	107919590	ZGLSNFQJDGPWPW-CVKSISIWSA-N	426.476	4.566	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	209643325	LPHCATGRPAAKQF-YBEGLDIGSA-N	427.298	4.877	50	40	IJGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CC2(C)SCCS2)c1C	408590219	OEEBLLORFBQLCF-WSDLNYQXSA-N	438.018	4.793	50	40	IJGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)cc1	408735778	XLFSLHCHLYLSNN-PXLXIMEGSA-N	445.519	4.867	50	40	IJGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	408771501	IOCDSVBIQLQPAN-CHHVJCJISA-N	434.279	4.912	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1Cl	409012595	KQVSPMLROIHFFK-XIJPWPHISA-N	439.737	4.809	50	40	IJGB	
CC(C)C[C@@H](NC(=O)c1ccccc1F)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409155005	LDGFPLLTCRJSIH-QESWDSMOSA-N	436.531	4.656	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1cccs1	409185756	PPLNUSMFFXUHQY-JECJHWOISA-N	435.574	4.676	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1I	409199314	CGAWOVLOVNUPRS-GDNBJRDFSA-N	432.217	4.828	50	40	IJGB	
C=CCOc1ccc(Br)c(/C=N/NC(=O)COc2ccc(CCCC)cc2)c1	8397662	QCOHNQBFFLSIIU-BUVRLJJBSA-N	445.357	4.886	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=N/NC(=O)c3cccc4ccccc34)c2)cc1	8843054	DWXVODYOZYEMDU-YZSQISJMSA-N	444.512	4.680	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	9763668	KOLSOYDNARHUMA-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1ccc(N(C)C)cc1	408741660	RJWFXMANGPADNZ-ZVHZXABRSA-N	439.357	4.687	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3)=C2C#N)cc1	409325407	YJCVYBNYYRFXCG-KRWDZBQOSA-N	443.981	4.772	50	40	IJGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)cc1	987216	MXIMJAPMEKRHMK-KRWDZBQOSA-N	426.398	4.712	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1	2285043	SXEJNOHGDMIHIF-ZHZULCJRSA-N	431.467	4.956	50	40	IJGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)C(C#N)=C(N)O2	9301982	LMAIGRRTTBXNPY-SFHVURJKSA-N	442.262	4.614	50	40	IJGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	57476840	JMUDPDLBFPYIFX-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc(Br)cc2)cc1OC	408530402	LRFRJSKPONQXNZ-AUWJEWJLSA-N	436.689	4.727	50	40	IJGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(=N1)SC(C#N)=C2N	408603903	HQSGARVRQWIQAB-NRFANRHFSA-N	429.549	4.834	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	408793511	PHUXDICOEIYBCN-OQLLNIDSSA-N	433.291	4.789	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3cccc(C)c3)c2)cc1	409255627	IAZJLLVFAOWICC-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c2ccccc21	409264590	MKUCICDORDLJFN-JVWAILMASA-N	433.552	4.503	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)o1	9289447	PFXSYDNCWWPSEC-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
C=CCOc1c(I)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408583285	TXNSEBNPPSZHBI-MHWRWJLKSA-N	447.272	4.937	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nn2-c2ccccc2C)cc1	408726659	SKGCOTQLCNKPMN-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
CN(C)c1oc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br	408856245	JPLRFGJKMZNRSE-UITAMQMPSA-N	429.101	4.961	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)n1	408861626	UADGNODWLHBJCD-WYMPLXKRSA-N	440.956	4.568	50	40	IJGB	
N#C/C(=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)NCc1ccccc1	409090122	LDYFQVZEWQGOOO-WQRHYEAKSA-N	444.403	4.519	50	40	IJGB	
COc1cc(C)c(/C=N/NC(=O)Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C(C)C	9056963	WLBCEUILRJRLSP-OPEKNORGSA-N	437.418	4.747	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(C#N)cc3)cc2)cc1	9720419	ANIREFNRNQMYIL-OGLMXYFKSA-N	425.488	4.839	50	40	IJGB	
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1	17155414	VHKSIAHVVAPFHR-UVTDQMKNSA-N	448.891	4.645	50	40	IJGB	
COc1cccc(-n2c(C)nnc2SCC(=O)NN(c2ccccc2)c2ccccc2)c1	36396170	VYELDWOFLCPNGP-UHFFFAOYSA-N	445.548	4.546	50	40	IJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc3c(c2)OCCO3)cc1	408846814	LASPXZOFOFBAHK-VEILYXNESA-N	437.499	4.988	50	40	IJGB	
Cc1ccc(C)c(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c1	409323788	QMVQLFWAFHBVSP-QGZVFWFLSA-N	425.941	4.667	50	40	IJGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2c[nH]c3ccccc23)n(-c2ccccc2)n1	4017548	OUZWWCFMATWKNY-CCVNUDIWSA-N	449.470	4.513	50	40	IJGB	
C/C(O)=N/S(=O)(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)ccc4[nH]3)o2)cc1	32099642	UKHDMVOTTMSFAZ-SFQUDFHCSA-N	446.488	4.861	50	40	IJGB	
C=C1C[C@@H](CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O[C@H]1CCCO	210458079	JXVLJWBTAZZVKK-BVAGGSTKSA-N	438.684	4.829	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408801200	SEZGRELLPLIGAQ-LFIBNONCSA-N	443.297	4.570	50	40	IJGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)CSc3ccc(Cl)cc3)c2C)c1	409216441	IGQOOYBDTZYLDF-CFRMEGHHSA-N	427.957	4.999	50	40	IJGB	
CCCOc1ccc(/C(CC)=N/NC(=O)[C@@]2(C)CC2(Br)Br)cc1	8399648	JZJCPZOBTUPRMA-ZGPWBKFBSA-N	446.183	4.602	50	40	IJGB	
COc1ccc(SCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	16217325	NAZFOKJUJFLEKL-FOKLQQMPSA-N	444.896	4.549	50	40	IJGB	
O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)C(Cl)Cl	96022560	JOVQFPJUJMCUCO-UHFFFAOYSA-N	428.124	4.536	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(Cl)cc1	223150646	KZRRQXKNHBPAPE-GATIEOLUSA-N	435.789	4.708	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	408799115	YAFYVNJRZGSGML-VIZOYTHASA-N	433.291	4.708	50	40	IJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408801071	RPEDQGSZLNZPRL-NTEUORMPSA-N	430.689	4.859	50	40	IJGB	
CCCNC(=O)NN(C(=O)Nc1ccc(C)cc1)c1nc(-c2ccc(OC)cc2)cs1	3768114	NTQPYGTXRLDAJG-UHFFFAOYSA-N	439.541	4.790	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)ccc1OCc1ccccc1	9296277	JVLVQKHHIPFLKQ-QFIPXVFZSA-N	449.304	4.952	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)c(OC)c1	9693159	HHFTUTLMKLEWFE-MRXNPFEDSA-N	441.940	4.577	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccc(C)cc2)s1)c1cccs1	12468016	ORSFZLLVXZJFOM-CPNJWEJPSA-N	434.637	4.833	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1	16575761	GGYIDAUJXKFTPS-YZSQISJMSA-N	449.576	4.540	50	40	IJGB	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(Br)c(Br)o1	58103327	SOPSTHHKPQUSLQ-YFHOEESVSA-N	440.091	4.749	50	40	IJGB	
N#C/C(=C/Nc1cccc(F)c1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1	100480642	OFENVEIGEACJRP-RAXLEYEMSA-N	434.408	4.940	50	40	IJGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)cc(Br)c1O	408806134	AMIIZLBVODPKAT-IWTYOZGTSA-N	442.151	4.519	50	40	IJGB	
Cc1cccc(COc2ccccc2/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1	408904211	GMCMBGMYYAILGA-QFEZKATASA-N	429.432	4.992	50	40	IJGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1ccc(CSc3nc(C)cc(C)n3)cc1)C(O)=N2	3298895	LEPJBZDHCWGUAE-UHFFFAOYSA-N	445.548	4.738	50	40	IJGB	
COc1ccc(/C=N/N(C(C)=O)c2nc(-c3ccc(Br)cc3)cs2)cc1	8694821	IIIHVWUMXSXKJG-SRZZPIQSSA-N	430.327	4.968	50	40	IJGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc(OCC)c1O	9305995	NYZZAZPHKNNQPM-LFWZTCNZSA-N	437.323	4.744	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1ccccc1	12464698	SHZOLJUPJAAZLI-CVKSISIWSA-N	438.911	4.847	50	40	IJGB	
CCCCOc1ccc(/C=C(\C#N)c2nc3ncc(Br)cc3[nH]2)cc1OC	27905195	JCFPECLZUUNMOF-RIYZIHGNSA-N	427.302	4.972	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1OC	33965412	HHZGLSMXFTXWJM-IBGZPJMESA-N	437.293	4.838	50	40	IJGB	
CC(C)c1ccc([C@@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	35342711	WBPJOHJTCZOJLN-CLJLJLNGSA-N	433.559	4.736	50	40	IJGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NN=C1CCN(Cc2ccccc2)CC1	55074108	TYYSUVYDQHAHIL-UHFFFAOYSA-N	434.367	4.921	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	58912649	WDVQYCRVLNPFRJ-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc(C)cc1	226335668	JBBCGYHXYMNYLD-BQYQJAHWSA-N	442.680	4.966	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)o1	408535614	ZBKMRRXYPPAMBR-KBKYJPHKSA-N	446.385	4.744	50	40	IJGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1nc2ccc(F)cc2[nH]1	408566500	AFTACINRBCYGNH-WJDWOHSUSA-N	430.414	4.923	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(Br)c1OCC#N	408743594	BINWLFUEZZMDIH-JYRVWZFOSA-N	446.688	4.559	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cc(C(=O)O)ccc1Cl	408747228	KTDPWUNYSFFSAN-JAIQZWGSSA-N	433.895	4.669	50	40	IJGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3OC)o2)c1	409000567	YWQOVJZBRPSPRE-RVDMUPIBSA-N	436.851	4.941	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)c(OC)c1	2364246	YRTIRDOOXOMXAO-QGZVFWFLSA-N	441.940	4.577	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cc2cc([N+](=O)[O-])ccc2o1	4106891	KJVINLXXZTUBJI-BRJLIKDPSA-N	442.353	4.914	50	40	IJGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1OC	107874379	ILXALBMHORDRMG-UFFVCSGVSA-N	433.873	4.634	50	40	IJGB	
Cc1ccc(F)cc1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccccc1F	408708985	VZBXJMUOKVXURG-RPPGKUMJSA-N	442.853	4.759	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)cc1	409044129	AYXWYPAHNWUBSD-CAPFRKAQSA-N	441.487	4.648	50	40	IJGB	
N#CC1=C(N)OC(c2ccccc2)=C(S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1	623085	VZOSUMHRWWRILV-OAQYLSRUSA-N	448.931	4.990	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)c(OC)c2)cc1	13424459	HRUFRDZVDJHSET-BKUYFWCQSA-N	446.478	4.645	50	40	IJGB	
COc1ccccc1Nc1ccccc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	16291121	MJNCYXIXBPHPOR-UHFFFAOYSA-N	447.535	4.711	50	40	IJGB	
CCCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OC	20760794	ZKFWAPAOUPZOKV-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1	83301793	RIOLBBZLEDMEDM-CUVDRZIWSA-N	446.547	4.937	50	40	IJGB	
Cc1cc(C(C)(C)C)ccc1C(=O)NNc1ncnc2c1cnn2-c1cccc(Cl)c1	96346849	KSHIVYKYTMMLJN-UHFFFAOYSA-N	434.931	4.832	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccc(N(C)C)o3)o2)cc1	108287605	KVACGOYZGJRSSS-YSMPRRRNSA-N	446.507	4.689	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1C	408604419	IPBXOSVGJKFCHR-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	408794456	JGAFIBGNYVNNCV-GZTJUZNOSA-N	439.309	4.714	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1C#N	408794707	AZKXRAJUHBUBJP-OEBVFIGYSA-N	437.499	4.930	50	40	IJGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)NC(N)=O	409230682	FIZSUDFDAZCKNV-PXNMLYILSA-N	440.286	4.827	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1OC	1056781	FTZDMAJQQWWJMU-DEOSSOPVSA-N	443.547	4.953	50	40	IJGB	
C=CCc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(OCc3ccccc3)cc2)c1O	2756940	VFYYVENQCWPRJH-IPISDEMTSA-N	430.504	4.617	50	40	IJGB	
COc1cc(OC)c([C@@H]2[C@H]3C[C@@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	8442010	PMUOFPWAARLTGP-YGJVYZRNSA-N	446.551	4.578	50	40	IJGB	
N#Cc1ccccc1COc1cccc(/C=N/NC(=O)Cc2ccc(Br)cc2)c1	9204412	QIISJUYGJMHSHS-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C2=C(CCCC2=O)N1	13174645	KCDXMZJOKUHVAC-HSZRJFAPSA-N	447.535	4.935	50	40	IJGB	
COc1ccccc1C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(SC)cc1	38682063	BXRVSUPYGLHIHX-HSZRJFAPSA-N	444.512	4.854	50	40	IJGB	
O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	58900766	IJUWXYUHIBRLGE-CIAFOILYSA-N	428.311	4.527	50	40	IJGB	
O=C(N/N=C\c1ccccc1)c1ccc(-c2ccc(C(=O)N/N=C\c3ccccc3)cc2)cc1	209856115	SGUAHSVZGWIRNV-NAZWXXJZSA-N	446.510	4.881	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1OC	408568040	RRRRNMMTRRLDLO-ZVHZXABRSA-N	447.373	4.847	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)nn2-c2cccc(C)c2)cc1	408725346	OBPUDOWNAOOXQS-JFLMPSFJSA-N	438.487	4.649	50	40	IJGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)cc2)c1	408808500	JEHPSFQIYTZAFS-DDFGLARDSA-N	434.536	4.885	50	40	IJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cccc(I)c1	408924762	OHGZSWMGYKVYMJ-JXMROGBWSA-N	426.616	4.629	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2)ccc1OCc1c(F)cccc1Cl	409079927	CJHRINLZDHWBNE-UVHMKAGCSA-N	437.858	4.702	50	40	IJGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)o1	16347962	HBFZKVDKSNCCEB-RPPGKUMJSA-N	430.382	4.665	50	40	IJGB	
O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	28296639	YXPUBOLDJSCQEL-WPWMEQJKSA-N	439.475	4.666	50	40	IJGB	
N#C/C(=C/c1ccccc1)C(=O)/N=C1/N=C/C(=N\Nc2cccc(C(F)(F)F)c2)S1	38187071	QGWOUCXNHWZOSJ-BGKNOCOXSA-N	427.411	4.738	50	40	IJGB	
Cc1cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1cccc(F)c1	408751040	VREYOHSBVKBPAT-MIXAMLLLSA-N	441.506	4.619	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC	408756945	YLPQWJFHAHEBKP-ZVBGSRNCSA-N	446.128	4.927	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	408885040	ZSFPASMPBUXEBK-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1	409005005	GUGSEZWPGOPQKP-WGOQTCKBSA-N	425.960	4.640	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC	409050901	COYWBZZNLHKWHQ-SSDVNMTOSA-N	437.721	4.748	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC	1250708	PEHYGUKASBHNEG-WYMPLXKRSA-N	433.291	4.963	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(I)o1)c1nc2ccccc2[nH]1	9262746	FAOILYXWVMKRBZ-VMPITWQZSA-N	440.038	4.587	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCC(=O)Nc2ccccc2)cc1	101062772	BVCXABPXRFBHDS-MTJSOVHGSA-N	447.498	4.713	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	408745408	RUAIBDPSXPCVHJ-DHDCSXOGSA-N	429.701	4.969	50	40	IJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(I)cc2)c1C	408799835	LTMJTPNIDKKGMZ-HNEYUBDGSA-N	447.320	4.520	50	40	IJGB	
C#CCOc1c(Br)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1CC=C	408817035	UYOJHLMKDITLKK-OYKKKHCWSA-N	437.293	4.700	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(Cl)cc2)cc1	408877322	USUZLFMCROBAKL-UHFFFAOYSA-N	447.988	4.670	50	40	IJGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc(Br)c1O	408882968	SBGQGBQKWSAQFV-FZJQIBMXSA-N	444.112	4.634	50	40	IJGB	
Cc1cc(NC(=O)N/N=C\c2cccn2-c2ccc(N(C)C)cc2)ccc1Br	408904505	KMVOWRVLRXLACS-UCQKPKSFSA-N	440.345	4.770	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CNC2CCCCC2)ccc1OCc1ccccc1Cl	409382328	RUKPARZPQDQFKM-JFLMPSFJSA-N	443.975	4.690	50	40	IJGB	
COc1cc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc(OC)c1OC	9955216	LJRDAIYLUQEWTG-JVWAILMASA-N	443.503	4.635	50	40	IJGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	58900710	OUPHZNKGPKZKAE-ZMOGYAJESA-N	440.272	4.604	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)c(C)n1-c1cccc(Cl)c1	408758357	JFCFAEYFKVIAFH-QXZRSAJQSA-N	440.938	4.955	50	40	IJGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408759510	GIIYEFGUTOQYSV-JVWAILMASA-N	438.568	4.995	50	40	IJGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)c1	408952187	KZSDHVNMEIMLRS-OVVQPSECSA-N	425.536	4.715	50	40	IJGB	
CN(C)CCC(C(=O)C(Br)Br)(c1ccccc1)c1ccccc1	1593245	PYENKPJRRABWLF-UHFFFAOYSA-N	439.191	4.609	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Br)c1O	3269100	NMEZAIAUVONWON-VZUCSPMQSA-N	441.203	4.728	50	40	IJGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	9140079	OQJKPTMSAVSDPJ-OQLLNIDSSA-N	444.285	4.938	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	58912666	TURVSOJHTZCZTK-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cc1cccc(F)c1	408877717	UBHMCKJELMQNKP-YBFXNURJSA-N	431.423	4.879	50	40	IJGB	
O=C(COc1cccc2ccccc12)N/N=C\c1cccn1-c1cccc(Br)c1	409019512	JNLXYPZZXIQCMB-MYYYXRDXSA-N	448.320	4.922	50	40	IJGB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)C[C@@H](Cl)c2ccccc2)c1	973136	CTNKOSRQVHPLPG-HXUWFJFHSA-N	444.896	4.601	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc(Cl)c1OC	1416756	DSLNAKLDSOVDOA-ZVBGSRNCSA-N	437.677	4.630	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2)cc1OC	2286628	LLPYDQQFTCMQSA-IVZQSRNASA-N	436.895	4.566	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCCCOc1ccc(C)c(C)c1	8983735	OXIIILNEFIAILU-OVVQPSECSA-N	432.520	4.924	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OC(C)C	20195269	CMABPLDAQOOUNK-ZMOGYAJESA-N	447.373	4.945	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1	35088348	LAJMDMGKIMJION-VULFUBBASA-N	428.444	4.879	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)C(O)(c1ccccc1)c1ccccc1	59248765	OZAGHXRTHIMBRP-OVVQPSECSA-N	429.907	4.517	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)COc3c(C)ccc(C)c3C)o2)cc1	67192528	LDXSFRDHWOWROL-VULFUBBASA-N	434.492	4.578	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc3c(c2)OCO3)c1C	108249109	DSPKCJGCNFTVLR-MZJWZYIUSA-N	441.487	4.749	50	40	IJGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)o2)cc1[N+](=O)[O-]	408953348	PZOJHKUWKDVYDE-UNOMPAQXSA-N	440.459	4.910	50	40	IJGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	409073209	VKZFQJVUSRKQHS-DHRITJCHSA-N	435.480	4.788	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	409255645	ZGBFALCBLATATH-WBRURWICSA-N	444.491	4.795	50	40	IJGB	
O=C(c1ccc(COc2cc(F)ccc2F)cc1)[C@H](Br)CBr	575358283	PXDZLOPADBKXGN-CYBMUJFWSA-N	434.074	4.885	50	40	IJGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O	825455	ZTQQIFGDAKBWQZ-UHFFFAOYSA-N	438.395	4.768	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1	34715908	KMZBMWOACKIQOO-BRJLIKDPSA-N	426.879	4.609	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1	108092212	UETKNLIYMRCCGR-FSJBWODESA-N	449.444	4.620	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1	108132947	MMWUNKZACUZFDF-GHRIWEEISA-N	433.414	4.528	50	40	IJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccccc2)c(Br)c1	409236246	FMXCDHUCFRZIKK-QFEZKATASA-N	441.300	4.860	50	40	IJGB	
COc1ccc(N(CCC#N)C(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	1770595	HAMFFPVEHAHRQT-BMRADRMJSA-N	442.431	4.717	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(C(C)(C)C)n[nH]3)cc2)cc1	4113033	ZFDMUAYUKSBNKF-JVWAILMASA-N	446.551	4.988	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1ccc(-c2ccccc2)cc1	6446841	FJVIEBYQSPHLAW-QFIPXVFZSA-N	434.455	4.691	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccc(F)cc1	12276771	RDRQSYJCUQAVRK-INIZCTEOSA-N	449.429	4.555	50	40	IJGB	
Cc1c(C(=O)NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)oc2ccc(F)cc12	12510675	KYFWMOTXUGIGKN-UHFFFAOYSA-N	440.434	4.565	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1	20764112	BXQDVNADLMAKSY-KEBDBYFISA-N	440.135	4.683	50	40	IJGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(OC(=O)c2ccccc2Cl)cc1	30833224	BMZMICRUHVIQIO-MXAYSNPKSA-N	443.286	4.742	50	40	IJGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccccc1Br	58915661	XOXGTONGQNKEAF-DJKKODMXSA-N	442.176	4.595	50	40	IJGB	
Cc1cccc(C)c1N1C[C@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408648192	JTCGSVVDBYQILG-IEBWSBKVSA-N	448.346	4.733	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1	408728368	KMMRSUURWCUSGJ-QDTIIGTASA-N	439.437	4.998	50	40	IJGB	
CNC(=O)/C(C#N)=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1	408786559	KQLZZJULEICMNS-WDZFZDKYSA-N	425.750	4.712	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cc(C)ccc3C)c2)cc1	408941584	XECCYSGSYVYHSI-STZFKDTASA-N	446.528	4.925	50	40	IJGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1OC	206237135	SIPNQUFXMGGFKC-HKWRFOASSA-N	436.508	4.987	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2C)cc1	408785538	HAEPDUMRVFJDTQ-STZFKDTASA-N	443.503	4.825	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N/N=C/c3ccc(C)c(C)c3C)cc2)cc1	409119052	PIPIWUWDGMGMFZ-WGOQTCKBSA-N	449.576	4.509	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3C)o2)c(Br)c1	409165098	SJAGUPACRBURPM-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
O=C(CCC(=O)Nc1cc(Cl)ccc1Cl)N/N=C/c1cccc(Br)c1	3084133	PNRAXCCZYDSZOM-UFFVCSGVSA-N	443.128	4.625	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc(Br)c1OC(C)C	20195164	DRFCTJCTWAPSQL-FSJBWODESA-N	433.346	4.555	50	40	IJGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)CNc2ccc3ccccc3c2)c1O	44965620	GURSWUQCVGOPOJ-OPEKNORGSA-N	432.307	4.813	50	40	IJGB	
COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)NNc1cccc(C(F)(F)F)c1	58556744	TZTRVHFWYZJSFS-UHFFFAOYSA-N	444.335	4.675	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1cccc(C(=O)O)c1	408543137	PKCIJHOOLGSAHM-RVDMUPIBSA-N	437.249	4.953	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OC(C)C	408820082	TUEKBIHFLSKPAS-JJFYIABZSA-N	431.286	4.755	50	40	IJGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1OC	408883192	RVWZQHNBVQTNME-WUXMJOGZSA-N	436.251	4.855	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OCc1cccc(C)c1	408911157	JBZPATMPDZCENT-VULFUBBASA-N	438.911	4.765	50	40	IJGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1cccc(I)c1	409124271	AXXKPOWRBTXPMK-GNUZOCDUSA-N	438.334	4.621	50	40	IJGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCC1	409187628	AFDIKLVLGDMZBD-LGMDPLHJSA-N	446.938	4.899	50	40	IJGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)o1	409192346	BDSZKJKYLVAGKJ-BHGWPJFGSA-N	447.274	4.569	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(C)cc2)cc1OC	409326783	ODLNYNCBCKOYRU-PKAZHMFMSA-N	430.504	4.911	50	40	IJGB	
CN1C(=O)N(c2cccc3ccccc23)[C@H](NC(=O)N/N=C/c2ccc(Cl)cc2)C1(C)C	2300422	UEVAYPORAYKDAU-YYHBXHNPSA-N	449.942	4.803	50	40	IJGB	
CCCCOc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1	27062449	RGRZWMOQJORQAI-ZMOGYAJESA-N	444.329	4.638	50	40	IJGB	
CCc1ccccc1N(CC(=O)NN=C1CCCCCCCCCCC1)S(C)(=O)=O	408778618	IQXLXENKJUOLCJ-UHFFFAOYSA-N	435.634	4.792	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC	409120892	WYYJGSVAEWFANU-FOKLQQMPSA-N	439.364	4.950	50	40	IJGB	
Cc1[nH]nc2c1[C@@H](c1cc(Cl)c(OCc3ccccc3F)c(Cl)c1)C(C#N)=C(N)O2	409148876	TUBZAGBEILIVLY-SFHVURJKSA-N	445.281	4.961	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c(O)c1	409391221	IAVKXBBSHBKIPJ-BHGWPJFGSA-N	432.307	4.879	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(F)cc1	3196308	AQJSRHQJTXTXIF-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
Cc1ccccc1[C@@H]1CC(=O)NC(SCC(=O)Nc2cccc3ccccc23)=C1C#N	9015021	ZCQUNEODABBEEP-FQEVSTJZSA-N	427.529	4.859	50	40	IJGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1	9693344	FNAFEAGMRFYIPF-KRWDZBQOSA-N	425.941	4.877	50	40	IJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC(=O)c3ccccc3)c2)cc1	10059566	UZGFYWKMTYCQFK-VEMGOHLESA-N	430.504	4.948	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1	10475874	DAGWWBPIELKWMF-PCLIKHOPSA-N	430.533	4.692	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409267575	OCKZRDGEMZYPIH-LQKURTRISA-N	438.483	4.840	50	40	IJGB	
Cc1ccc(OCCSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1	409325549	ZVVLHCPFRUGESX-SFHVURJKSA-N	443.366	4.908	50	40	IJGB	
COc1cccc(-c2n[nH]cc2/C=N/NC(=O)c2sccc2OCc2ccc(C)cc2)c1	1389767	WRZBVPSODIQDLN-VULFUBBASA-N	446.532	4.798	50	40	IJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1	59473244	BLRDLVGKBPAQIK-GMJSKMFWSA-N	448.972	4.691	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCC(=O)Nc1ccc(C)cc1	408541457	CRFOSTSALZTQPF-BKUYFWCQSA-N	442.471	4.784	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)c(C)c1	408708115	OEZVCTZLZLQNMM-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3C)s2)cc1	1837413	LQAVEFQYAOVKEU-SRZZPIQSSA-N	428.608	4.690	50	40	IJGB	
CCCC(=O)NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2	2228272	VUZXWMXUMRNDCR-UHFFFAOYSA-N	428.536	4.511	50	40	IJGB	
CN1C(=O)N(c2cccc3ccccc23)[C@@H](NC(=O)N/N=C/c2ccc(Cl)cc2)C1(C)C	2300424	UEVAYPORAYKDAU-YNYZQSIGSA-N	449.942	4.803	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59679255	ZPWHZTDJAJZHBQ-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)c1	408743543	AYEWLOONMXZETB-MOSHPQCFSA-N	429.476	4.737	50	40	IJGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Br	408745745	OUGIZNPUGAFIQN-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(Cl)c1OC	408886047	HJGZZSHTENWCCP-WUXMJOGZSA-N	436.251	4.855	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409309607	JQENKAZYQIOBJK-MFKUBSTISA-N	433.464	4.645	50	40	IJGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1OCc1ccccc1	3088965	DIJLUMVKTREXSL-ZVHZXABRSA-N	435.505	4.557	50	40	IJGB	
C/C(=N/NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1	8398373	YJQZAPPULRTGAT-ZMFRSBBQSA-N	427.291	4.795	50	40	IJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	33415072	JEGGLVDZVPWPRX-QRQIAZFYSA-N	431.511	4.930	50	40	IJGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	35175600	WEHOQYSUSHMSTK-ZVHZXABRSA-N	429.457	4.739	50	40	IJGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1	1453716	CZYYREQPVVSTNX-GZTJUZNOSA-N	448.500	4.852	50	40	IJGB	
CCCCOc1ccc(C(=O)NNc2nc(SC)nc3sc4c(c23)CCC4)cc1	2211013	JUCIXOCLAOSYAW-UHFFFAOYSA-N	428.583	4.838	50	40	IJGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1cc(Cl)cc(Cl)c1O	12039993	ZMXIYMKEVBSJQE-GZIVZEMBSA-N	449.121	4.875	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2Br)cc1OCC	20760994	KSGFYHUVZGLPDO-WSDLNYQXSA-N	437.721	4.830	50	40	IJGB	
C/C(=N/NC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccccc1O	96465745	OJGMLWIEDVRAJO-IWIPYMOSSA-N	439.309	4.888	50	40	IJGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1	103616502	HBGDMXPYLWJCMO-NDZAJKAJSA-N	443.591	4.863	50	40	IJGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccc(F)cc1	226335951	LMSMTBIGEGLVNN-QPJJXVBHSA-N	446.643	4.797	50	40	IJGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br	408741159	HCUPAHVPXCGEQE-GHXNOFRVSA-N	436.103	4.766	50	40	IJGB	
CCOC(=O)c1c(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)sc2c1CCCC2	408773039	OYXYBKBQHLKCNZ-PDGQHHTCSA-N	439.581	4.643	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Br)c(N3CCCC3)o2)c1	408857336	UIWVZNULFBFRAT-UVTDQMKNSA-N	430.302	4.587	50	40	IJGB	
COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	408862369	FKNWKLXZWFDZQN-ODCIPOBUSA-N	446.128	4.814	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	409214565	YGHZLINQCCAHIA-SXGWCWSVSA-N	430.844	4.653	50	40	IJGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1	409218447	IVPLQOXQMSWLSP-GATIEOLUSA-N	436.773	4.935	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OCC)c2)cc1OC	409335500	OOFOIOHCBQPLDG-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
O=C(CP(=O)(c1ccccc1)c1ccccc1)Nc1nc2ccc(Cl)cc2s1	17466505	DHFRQLMZNKEENT-UHFFFAOYSA-N	426.865	4.902	50	40	IJGB	
CCCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2cc(C)nn2-c2ccccc2)c2ccccc21	34890179	NMOBNOQWGDIUGP-DARPEHSRSA-N	439.519	4.633	50	40	IJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21	59427784	LGUCJYDYJGAAOM-STBIYBPSSA-N	449.510	4.857	50	40	IJGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	100182365	MNSBUHVLKZLDLS-PZSFKOBLSA-N	438.440	4.572	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)O	408984457	RIXYWYHVEOBUKS-NSIKDUERSA-N	449.290	4.710	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)cc1C	409253966	CPOYZJAINVXKDO-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1C	3072755	RPJLLQHPHMUMMU-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccc2c(c1)OCCO2	9425441	HOIFEYREGWWVII-ZXSYOUNQSA-N	436.855	4.996	50	40	IJGB	
O=C(NNC(=O)c1cc2c(s1)CCCCCC2)c1cccc(OCc2cscn2)c1	12698696	SADBNHMNAFZUGX-UHFFFAOYSA-N	441.578	4.517	50	40	IJGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)c(C#N)c1C	20760421	MYBQNWQXVJKPEO-BHGWPJFGSA-N	439.313	4.702	50	40	IJGB	
O=C(NNC(=O)c1cc2c(s1)CCCC2)N[C@@H](c1ccc(F)cc1)c1cccs1	40068908	KUZQIANFHSIICX-IBGZPJMESA-N	429.542	4.561	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)COc1ccc(Cl)cc1Cl	409249793	VQBLDSBJPLXNHQ-CFRMEGHHSA-N	436.339	4.521	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)c1	409375925	QXNKZZZEBNSTLY-MOSHPQCFSA-N	429.476	4.522	50	40	IJGB	
O=S(=O)(C[C@@H](Br)c1ccccc1)C[C@H](Br)c1ccccc1	1592166	DGFZIVSUZAVFBF-IYBDPMFKSA-N	432.177	4.674	50	40	IJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C)c1ccccc1	58917368	QHWJTQHBFMQQBK-GQBLCDNYSA-N	440.341	4.694	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)cc1	408794130	RNBYXHXVSNLMAI-PXLXIMEGSA-N	426.472	4.906	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)cc1	408804908	CDVHRUCNLIWSKB-QRVMUODJSA-N	433.552	4.873	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1)C(N)=O	408870558	WCIQVGKBSRSRQD-LFYBBSHMSA-N	426.097	4.727	50	40	IJGB	
N#Cc1ccccc1COc1ccccc1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408905268	WJMJKHHYCXRXHK-WGARJPEWSA-N	440.415	4.556	50	40	IJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CCCc3ccc(OC)cc3)o2)c1	409162776	HOIBAZFKUQZYFT-YZSQISJMSA-N	434.492	4.605	50	40	IJGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)c1	2161662	VNRWXGJHGOZLFR-LSHDLFTRSA-N	447.672	4.825	50	40	IJGB	
CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccccc1O)=C\c1ccccc1	8384896	IAVPMFYZZSHZEZ-YPMNMBOPSA-N	439.515	4.650	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1OCc1ccccc1	15945108	IVJIXOYYIQIRPV-YJMUOGFZSA-N	449.507	4.784	50	40	IJGB	
COc1ccc(Cl)cc1C(=O)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1	409227356	YAGTXZAASFNVGR-KSEXSDGBSA-N	433.247	4.578	50	40	IJGB	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)N/N=C/c1ccco1	1741720	XHOWUWYLWIFKSF-YDZHTSKRSA-N	443.960	4.939	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1	2208970	AITNMHLYUTWNNM-RCCKNPSSSA-N	443.503	4.825	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1	9805744	WDXZVGZGTNTCMG-ZVHZXABRSA-N	435.355	4.709	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)NCc2ccccc2Cl)c(C)n1CCC(C)C	12695869	IYIOIEUVDWQYNO-CIAFOILYSA-N	441.959	4.571	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(O)cc1	408738043	MKUVMGZIPDKNAU-WYMPLXKRSA-N	443.272	4.637	50	40	IJGB	
Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\NC(=O)c2cccc(Cl)c2)n1	409120575	UJFXUSTUPYRKPD-JJFYIABZSA-N	441.900	4.570	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)cc1	409199192	BVGPOFXVKGDCLY-FSJBWODESA-N	428.897	4.629	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)C(=O)NCCCc1ccccc1	409245285	QIQZTYMHPVMWLV-QJOMJCCJSA-N	441.487	4.830	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3C)cc2)c1	409266671	RBMLXOJCTXYYPP-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1ccccc1	409318700	XTICCZFUCDCYOT-CQSZACIVSA-N	432.332	4.704	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1OC	8916251	GNJMBBIGEPVCGV-ZVHZXABRSA-N	441.325	4.702	50	40	IJGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1	108111364	KSEQBRGUOQEJKP-FSJBWODESA-N	440.297	4.740	50	40	IJGB	
CC(C)C[C@H](NC(=O)c1ccccc1F)C(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409155013	LDGFPLLTCRJSIH-VATWTLTGSA-N	436.531	4.656	50	40	IJGB	
CN(C)C[C@H](C(=O)c1ccc(Br)cc1)[C@H](Br)c1ccccc1	1754537	VXHCUAYTNFNEFS-DLBZAZTESA-N	425.164	4.946	50	40	IJGB	
C=CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC	6600407	BWHQHQOLLYQWJE-IBGZPJMESA-N	428.916	4.754	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1)c1ccc(Cl)cc1	20240410	QWBZAKFVJMMCPQ-VFCFBJKWSA-N	446.982	4.816	50	40	IJGB	
CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	26842347	QZHQLAZSFWBCSS-OBGWFSINSA-N	433.471	4.990	50	40	IJGB	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Br	48341562	VOOSAOXYEDVYQY-ZROIWOOFSA-N	427.689	4.834	50	40	IJGB	
CCCCCCCCCCC(=O)NNC(=S)Nc1sc2c(c1C(=O)OC)CCC2	97944897	QJISTMWOTIQCGQ-UHFFFAOYSA-N	439.647	4.872	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(=O)Nc1ccccc1F	408804332	XQTSEIMTPDRRKG-BJMVGYQFSA-N	440.066	4.602	50	40	IJGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1	2162171	REXNHMYDDYSSLJ-BRJLIKDPSA-N	447.486	4.664	50	40	IJGB	
O=C(N/N=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12)c1ccncc1	4092236	UGYVZHBPQLWQDX-JVWAILMASA-N	432.911	4.923	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc(Cl)c1O[C@@H](C)CC	35078225	TUJSFBBAYAVRCO-LTOJSDLTSA-N	433.892	4.517	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccccc3Cl)CC2=O)cc1	408602410	DKZGYNFQZJIFNE-IBGZPJMESA-N	449.938	4.724	50	40	IJGB	
CCOc1cc(OCC)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408847852	WCSFQWNDCSBIIW-UUYOSTAYSA-N	431.286	4.757	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2C)c1	408967910	SSHPDXMBFKOXOX-BKUYFWCQSA-N	443.503	4.825	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccccc2Cl)CC1	409006883	RQAHQJTYFOQLKW-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccco1	409225378	PQQWSLHFRWRZGF-RAWOYRKCSA-N	429.259	4.969	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Cl	409234898	AHNFNXYUPYYEMV-DUPVFGOHSA-N	447.318	4.720	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	13176777	HIJXHFSWUPXIBB-KRWDZBQOSA-N	437.348	4.719	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Sc1ccc(Cl)cc1	59473428	KEQWXTOXMWQJDZ-KKBVUKDESA-N	427.751	4.742	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3O)o2)cc1	106559414	RWCVCFMTTLJSOQ-YSMPRRRNSA-N	429.476	4.736	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCCC2)cc1	408567036	CJOVVEWIEUBDPJ-LFVJCYFKSA-N	441.622	4.685	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408796883	QLRHZOZUNOUOTG-GZTJUZNOSA-N	439.309	4.714	50	40	IJGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1	840422	RVPIJJDKRANODX-OAHLLOKOSA-N	443.330	4.740	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OCc1cccc(Cl)c1	2077240	YHZJZJZURXFDIN-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c([N+](=O)[O-])c1	9971624	OULDTNKOAIOJOI-RMORIDSASA-N	448.262	4.999	50	40	IJGB	
O=C(N/N=C\c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cccc2ccccc12	17185919	DOLIEJKLLOBPCK-MXAYSNPKSA-N	429.432	4.843	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br	26123505	NDGPAUKDJZYEMZ-RGVLZGJSSA-N	440.135	4.764	50	40	IJGB	
CC[C@H]1CCCCN1CC(=O)/C(C#N)=C1/NC(c2ccc(Br)cc2)=CS1	97819741	ZBWVVYZDMFSRIM-BWGFTNSASA-N	432.387	4.653	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc(C(=O)OC)ccc4C)o3)cc2c1	409188711	FMYSDKFPYSCFIV-WGARJPEWSA-N	446.459	4.950	50	40	IJGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409211601	LZEMXTNZXSTCAS-FOKLQQMPSA-N	428.897	4.849	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)C(=O)N1CCCC1	409370926	DYBLFMQJHHEGEE-GZTJUZNOSA-N	429.289	4.697	50	40	IJGB	
O=C(COC(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)cc1	3243443	RXBYDIQVUYAYOS-UHFFFAOYSA-N	438.847	4.613	50	40	IJGB	
CC(=O)N/N=C/c1cc(Br)ccc1OCCOc1cc(C)ccc1C(C)C	8842894	NGPKTFPYRCVHEY-YDZHTSKRSA-N	433.346	4.809	50	40	IJGB	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CC[C@@H](C)C2	13126876	BOEADEMHABTDBG-OBPDLJBASA-N	444.963	4.983	50	40	IJGB	
CCCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20764889	BGTFGTQRMKJOHE-OEAKJJBVSA-N	449.345	4.799	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)c1nc2ccccc2[nH]1	98086461	WVAIHTPYOBOAOR-GHRIWEEISA-N	439.431	4.553	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1cccc(Br)c1	408599615	XMOGQQJQLMYLJE-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	408612698	XBWNLPOIAGIIFG-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
O=C(N/N=C\c1cccn1-c1cccc(Br)c1)c1ccc(-n2cccc2)cc1	409014578	QFLQBYZIUAVXPT-JLPGSUDCSA-N	433.309	4.794	50	40	IJGB	
Cc1cccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c1C	6924447	RAFZUDDSGCQNNV-UHFFFAOYSA-N	435.634	4.846	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2ccccc2F)cc1	58925210	UQBCGIVPABATLL-UHFFFAOYSA-N	445.560	4.546	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(OCC)c(OC)c2)cc1	59245208	AJCICKDSELEXGH-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc2Br)cc1	59334009	MYZPTOGKJKDUOO-PXNMLYILSA-N	433.733	4.985	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408570176	SLTUQNMNRQJTHP-HZHRSRAPSA-N	429.611	4.541	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)c(Cl)c1	408590527	PJARYAZTWXEWNS-YSURURNPSA-N	430.291	4.894	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1C	408599819	LMDBRPDBGHIVPJ-JVWAILMASA-N	431.536	4.942	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)COc2cccc3ccccc23)o1	408962597	ZOUDWROCVUZOSV-WGARJPEWSA-N	428.444	4.636	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408965366	KSWCBIWKLGMDDS-DHRITJCHSA-N	433.395	4.823	50	40	IJGB	
Cn1c(SCC(=O)N/N=C/c2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1	2317774	BVCACWNITUCGBJ-PCLIKHOPSA-N	443.532	4.517	50	40	IJGB	
COc1ccc(Cl)cc1NC(=O)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	9144569	KECIKRRKXZGVGS-GIJQJNRQSA-N	443.931	4.512	50	40	IJGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(OC(=O)c2cccs2)cc1	18173283	WMHSNQQLWZRAAW-CVKSISIWSA-N	429.501	4.683	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc(Cl)c(Cl)c1	28217078	VJIAYMRLZSGDKG-YIQTUUEOSA-N	444.318	4.691	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1	409203199	UZOFSEXVZLKZOL-ZMOGYAJESA-N	427.957	4.999	50	40	IJGB	
N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc(I)cc1	409374191	YMRWHOXWUNFUKN-GHXNOFRVSA-N	426.051	4.823	50	40	IJGB	
COc1cccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)c1	9693343	FNAFEAGMRFYIPF-QGZVFWFLSA-N	425.941	4.877	50	40	IJGB	
CC(C)c1ccc(-c2noc(CCC(=O)NNC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1	32895952	FGYGUFBOYROAMP-UHFFFAOYSA-N	434.540	4.551	50	40	IJGB	
COc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2)cc1	408762136	JHUZJGBCMBDXFS-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1cccc([N+](=O)[O-])c1	408784733	WTQZDNXQIQUSSQ-MTJSOVHGSA-N	449.507	4.733	50	40	IJGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1	9693421	AXISEQWJZWXDBR-QGZVFWFLSA-N	426.339	4.669	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1	45329719	IVMOOLVYYDFOOO-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CC#N)ccc1OC(=O)c1sc2ccccc2c1Cl	58871839	COIWLBUMBUSUMO-WYMPLXKRSA-N	441.896	4.536	50	40	IJGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	83299704	YKXJBCWILSWWPQ-UJBXUPAJSA-N	437.515	4.596	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(Br)s1	408569756	PUHDSGTVQJAXCU-GIJQJNRQSA-N	443.413	4.518	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)c1	408589377	LNBAOQKNIVWSCO-OGLMXYFKSA-N	439.515	4.727	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)C(=O)Nc1ccc(F)cc1	408792845	LRZANXGTGYXKEI-GHRIWEEISA-N	433.414	4.528	50	40	IJGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)C(=O)Nc1ccc(Cl)cc1	409095488	HXGXMKJXBSGOHH-GXDHUFHOSA-N	437.868	4.735	50	40	IJGB	
Cc1cc(Cl)ccc1OCc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)sc1C	8926956	FPXCFSFSTBICEP-LJQANCHMSA-N	426.929	4.847	50	40	IJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	9201097	CGPQMVDPFZBRFN-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)o2)c1	408998375	IWRFPPIIHXUMAK-ZRGSRPPYSA-N	439.899	4.566	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc2c(c1)OCO2	409202457	QWHZJTJJAICREF-BHGWPJFGSA-N	441.940	4.719	50	40	IJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	409362345	JBHYMGNLUBZEMN-AUEPDCJTSA-N	433.251	4.724	50	40	IJGB	
N#CC1=C(SCC(=O)OCc2ccccc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1Cl	9329883	WANAIJOJYBSEAT-MRXNPFEDSA-N	447.343	4.809	50	40	IJGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCCCCCCCC1)c1ccc(Cl)cc1	19954350	CTQLOCMTIZTGSD-UHFFFAOYSA-N	442.025	4.883	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(=O)NCc1ccco1	57537101	OYPKKAPWHQPLCK-WOJGMQOQSA-N	437.293	4.844	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	408530558	MEWCCTQTJGKYJP-DHRITJCHSA-N	439.357	4.727	50	40	IJGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1	408778636	JECXSVPJSFFLCO-APSNUPSMSA-N	433.291	4.702	50	40	IJGB	
Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C(O)=NC2=S)cc1	1885206	NBKHOJSHRYVFNI-XMHGGMMESA-N	439.968	4.658	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cccc(Cl)c3C)=C2C#N)cc1	9374695	GMIYREARDQWOML-INIZCTEOSA-N	425.941	4.667	50	40	IJGB	
Cc1cc(C)c(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)c(C)c1	12250031	HFCBKWDOEACOCK-SFHVURJKSA-N	439.968	4.976	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	100211252	GWTUTWHLNGLOQB-NVMNQCDNSA-N	436.431	4.791	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1Cl	409020281	NLUJZUMJACBHJV-MYSNOUKZSA-N	439.737	4.809	50	40	IJGB	
COc1ccc(N2C[C@H](C(=O)N/N=C\c3c4ccccc4cc4ccccc34)CC2=O)cc1	409158370	XXRXGTVMKBPOSV-URWSDTSISA-N	437.499	4.505	50	40	IJGB	
COc1ccc(CC(=O)Nc2cccc(/C(C)=N\NC(=O)c3ccc(Cl)s3)c2)cc1	8454026	QUVVYGAPGQHBOI-QFEZKATASA-N	441.940	4.745	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)cc1OCC	9261921	DLVKQSKXZCYNOL-YDZHTSKRSA-N	443.297	4.923	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)ccc1OC(=O)c1ccc(C)cc1	13304721	MYNURCNZRZAWRT-XSFVSMFZSA-N	428.492	4.605	50	40	IJGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)/C=C\c2ccco2)c1	72336378	HPNFVZTULBCABC-WGBHAWFPSA-N	439.471	4.614	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1	408753051	LAPIGGRXXVWDOD-UYRXBGFRSA-N	427.416	4.668	50	40	IJGB	
COc1cccc(COc2ccccc2/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1	3166871	SVEQHHTYEUCMFM-CIRUFVMISA-N	438.911	4.845	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1	3213364	BVKUEUGTEUVZRZ-YDZHTSKRSA-N	448.331	4.558	50	40	IJGB	
Cc1nc(N)sc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	33347217	YXRVZWIZJXKWPH-NUGSKGIGSA-N	435.336	4.683	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OCc1ccc(F)cc1	35105522	UFBDGWYVFZDUGQ-JFLMPSFJSA-N	449.482	4.526	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)nc2-c2cccnc2)cc1	96663273	NSFOULHTDYWSHT-JCMHNJIXSA-N	449.514	4.938	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nn2-c2ccccc2)cc1	408723992	BVCJPTJUJWPIDJ-PCLIKHOPSA-N	425.448	4.520	50	40	IJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(I)cc2)cc1	408766985	UQJNJWSVKJVRNN-SSZFMOIBSA-N	445.304	4.683	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	408850560	BZSWFZZKWVBZGF-XNTDXEJSSA-N	443.272	4.545	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)c1OC	408964661	XZHPTNAQIDHCJE-AFPJDJCSSA-N	439.320	4.998	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(Br)c2)cc1Cl	408986438	MAENSYDLYIFAPZ-ZSOIEALJSA-N	430.689	4.859	50	40	IJGB	
COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2)cc1	409378996	UBKLZHTUFZRQOD-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1OC	9553623	IDKNWAPNMMXXSX-ZVHZXABRSA-N	441.325	4.702	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1OC	28217741	JWXBOBTXCXYFAH-CYGNYLSHSA-N	449.370	4.653	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1	408831724	RTYSMBDAGUCVLD-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	409164751	NIHFFUIYAJJHAJ-LGJNPRDNSA-N	448.862	4.981	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@@H]1c1ccccc1	409324918	WJFCCYYVUSBUBZ-MRXNPFEDSA-N	432.332	4.704	50	40	IJGB	
Cc1nnc(SCC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)s1	2433703	DEPDCFLDUVKPQK-ZMOGYAJESA-N	448.573	4.821	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2c(F)cccc2Cl)nc1-c1ccccc1)c1ccc(O)cc1	2750442	ZKXIXVIKBNHKFP-UVHMKAGCSA-N	448.885	4.860	50	40	IJGB	
COc1ccc(NC(=S)NNC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	3231704	BGSRFGYRQRPVQE-UHFFFAOYSA-N	434.546	4.603	50	40	IJGB	
N#C/C(C(=O)CSc1nnc(NCc2ccccc2)s1)=C1\Nc2ccccc2S1	3243779	SGYAASJXRVPWET-JXAWBTAJSA-N	437.575	4.764	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1	8722103	ZLJWHWCHEAOMNH-YZSQISJMSA-N	425.444	4.828	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)OC)c3)o2)cc1	20197437	RYYRTXGIEGZUDG-AFUMVMLFSA-N	440.883	4.939	50	40	IJGB	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC(=O)N(CCCl)N=O)CC[C@@H]12	118930578	RVNKEMCEVCMAJM-GRCXZVSFSA-N	426.001	4.690	50	40	IJGB	
Cc1cc(/C=N\NC(=O)COc2cccc(N(C)C)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408967391	QJMGLNASRHRKGY-QRQIAZFYSA-N	446.595	4.987	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1cccc(F)c1	408968441	WQUFKGAGEKPTRV-CCVNUDIWSA-N	435.430	4.578	50	40	IJGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)NCc1ccccc1	409092915	WTPRGNXYHZNYKJ-LDADJPATSA-N	444.403	4.519	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)n1	409231713	LPEKFKDGUCQPGW-WYMPLXKRSA-N	440.956	4.568	50	40	IJGB	
C[C@@H]1CCc2c(sc(NC(=O)/C(C#N)=C/c3ccc(-c4ccc(F)cc4)o3)c2C(N)=O)C1	1294193	JUCIVKITMPHUNX-WDGDVPDHSA-N	449.507	4.917	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1	58917510	VWLYXKGFAUBIHL-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)NN=C1CCCCCCC1	59383022	NFMMZFPENVVBQW-UHFFFAOYSA-N	447.988	4.752	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NC3CCCCC3)c2)cc1C	98086503	NHNSRMHPZMCYLQ-KGENOOAVSA-N	431.536	4.677	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1OCC	409320532	DDUJELWAWXUAPH-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1cccc(OCc2ccccc2)c1	409340710	ALYFIAMHXPNCMP-AFUMVMLFSA-N	438.325	4.590	50	40	IJGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409365020	PRFWJZJESGECGB-WYMPLXKRSA-N	431.275	4.717	50	40	IJGB	
Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C1C(=O)CC(C)(C)C2	8442833	FLJDKWSIFOWUGO-IBGZPJMESA-N	434.521	4.906	50	40	IJGB	
Cc1ccc(-c2csc(=S)n2CC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	13062629	ODCQHRKVKCDLSP-UHFFFAOYSA-N	441.622	4.618	50	40	IJGB	
N#Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3Br)cc2)cc1	20760709	LYOMVOAPCZUDHH-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OCc1ccc(C)cc1	35145268	IZEDWPKCCHMXIM-QQXSKIMKSA-N	447.491	4.574	50	40	IJGB	
N#CC1=C(N)Oc2cc(OC(=O)c3cccs3)ccc2[C@@H]1c1c(F)cccc1Cl	38680265	ACXGIANIRGARME-SFHVURJKSA-N	426.856	4.978	50	40	IJGB	
O=C(NCc1ccccc1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408707668	LQKNNGLMDWRPIY-VULFUBBASA-N	441.318	4.504	50	40	IJGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408719973	QNCUNWGFDFJAEA-BIKZULFDSA-N	449.532	4.946	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1C#N	409188804	AOUURHFXFFWZMI-JFLMPSFJSA-N	433.895	4.953	50	40	IJGB	
COc1cc([C@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F	409369768	GEYYMYNVSYBZEW-HXUWFJFHSA-N	425.529	4.756	50	40	IJGB	
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(Br)c1O	1915637	ASIXZNNJIYFIAP-VGOFMYFVSA-N	442.718	4.545	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1cc(Cl)ccc1OCc1c(F)cccc1Cl)C(C#N)=C(N)O2	9679125	LCZVYSRKRPKDBE-IBGZPJMESA-N	445.281	4.961	50	40	IJGB	
CCOc1cc(Br)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1OCC	33334263	CPHUBQNDRJUURX-UUYOSTAYSA-N	431.286	4.757	50	40	IJGB	
CC(C)(C)OC(=O)N1CC[C@H](CSSC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	91368957	HMUNCMDMBOMSER-IYBDPMFKSA-N	432.652	4.882	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1	139756694	PUZCNERXVBESEV-CJLVFECKSA-N	426.472	4.988	50	40	IJGB	
Cc1cccc(COc2ccc(/C=N\NC(=O)COc3cccc4cccnc34)cc2)c1	409016064	BMWRHLRCWBJJGL-NTFVMDSBSA-N	425.488	4.651	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)NC(SCCOc3ccccc3Cl)=C2C#N)cc1	409312030	IXJUUUOPOTWUSX-QGZVFWFLSA-N	428.941	4.890	50	40	IJGB	
CCCC[C@@H](Br)C(=O)Nc1c(C(=O)OC)[nH]c2ccc(Br)cc12	2320586	IITMSAMHPRSGIJ-LLVKDONJSA-N	446.139	4.609	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)c(C)c(Br)c2)cc1C	33452155	VDZVKXOLKBGQLZ-UFFVCSGVSA-N	438.163	4.830	50	40	IJGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	59101875	UYSIQKKRLVPGGD-CVKSISIWSA-N	435.911	4.570	50	40	IJGB	
CCOc1ccccc1NC(=O)N/N=C\c1ccccc1OCc1ccc(C(=O)O)cc1	408856609	CRMGYURFLSRTHF-MYYYXRDXSA-N	433.464	4.518	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1	408881228	KHQJHMBJVOPHHY-RCCKNPSSSA-N	446.528	4.925	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)n1-c1ccccc1F	408943570	TYVVHAXEMABFIL-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)c(F)c1	408966603	MKYJQJGBTRIWIA-PGGKNCGUSA-N	447.209	4.936	50	40	IJGB	
O=C(N/N=C/c1cc(Br)cc(Cl)c1O)c1cc2cc(Cl)ccc2o1	409021985	GYQRSLBDGHJDQV-IFRROFPPSA-N	428.069	4.972	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1OC	409321259	FFYUSSBTXAZUNL-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1	985603	JAUXDYYJUFMACA-QFIPXVFZSA-N	448.482	4.823	50	40	IJGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	16735491	RSYWVOLKCMOCPC-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
C/C(=N/NC(=O)c1ccc(Br)o1)c1ccc(NC(=O)C2CCCCC2)cc1	17097811	FCTDCZVJVAILBX-QRVIBDJDSA-N	432.318	4.715	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1Oc1ccccc1[N+](=O)[O-]	59475430	XCBMXSPJEKBRPZ-YDZHTSKRSA-N	425.828	4.813	50	40	IJGB	
O=C1C=C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21	104477964	UGVIMFXXGGQZTB-UHFFFAOYSA-N	433.467	4.986	50	40	IJGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc21	208456567	RBFJLZKQJGCBJJ-ZMOGYAJESA-N	438.553	4.777	50	40	IJGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C\c2ccc(N3CCCC3)cc2C)c(C#N)c1C	408547603	ZZGUHSJQHSKZID-UNOMPAQXSA-N	447.560	4.732	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OCc1cccc(C)c1	408812121	LJMNQRNMONOPRQ-LFVJCYFKSA-N	426.516	4.849	50	40	IJGB	
Cc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	409263921	IPNHVDNASFQHFA-CPNJWEJPSA-N	429.451	4.697	50	40	IJGB	
N#CSc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1	8951317	NEMYCJRZMZADDK-UHFFFAOYSA-N	433.518	4.747	50	40	IJGB	
COC(=O)c1cccc(Cn2cc(/C=N/NC(=O)c3cccc(Cl)c3)c3ccccc32)c1	33665618	MNEMISBIZAAAJI-MZJWZYIUSA-N	445.906	4.894	50	40	IJGB	
C#CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1I	34705248	ZYTCHPJLHHJCLD-GDNBJRDFSA-N	439.256	4.552	50	40	IJGB	
COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccccc1Cl	408541592	CGBMEXUIMBWVKM-AWNIVKPZSA-N	437.746	4.883	50	40	IJGB	
Cc1cc(/C=N/NC(=O)COc2cccc3cccnc23)c(C)n1-c1cccc(Cl)c1	408753585	BBAHXQVONZBFLN-MZJWZYIUSA-N	432.911	4.825	50	40	IJGB	
O=C(Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1	408760665	CNZBHBTYJUWMBT-WGOQTCKBSA-N	439.427	4.731	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408890032	MVQQQLUIEQIIBH-UKTHLTGXSA-N	438.783	4.962	50	40	IJGB	
C/C(=N\NC(=O)COc1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)cc1	12651509	MWDUEXGXRUJJPY-WPWMEQJKSA-N	440.446	4.786	50	40	IJGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1cccc(Br)c1	20238307	BRUXCQCRNZPGSS-SFHVURJKSA-N	440.366	4.664	50	40	IJGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408791037	SOKJQLLLMDHHIB-OQLLNIDSSA-N	429.701	4.969	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(N2CCCC2)o1	408853845	YFIVMAYFLGXSLH-AUWJEWJLSA-N	436.313	4.651	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)ccc1OCC(C)C	408906201	AWAQYPJTTFMEPC-WGOQTCKBSA-N	426.557	4.910	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	409133153	ZUNCLMHJVYRJAY-QFIPXVFZSA-N	449.850	4.751	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409224617	KYEQKSHYAADWPD-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1)OCO3	3628386	VNCRVEIOIGEKEH-QHCPKHFHSA-N	432.863	4.866	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2F)cc1Br	9233421	NQCFWPSONIAOJN-OVCLIPMQSA-N	434.261	4.646	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)cc1	9693125	UHOWHJFCCTXNMN-SFHVURJKSA-N	440.366	4.977	50	40	IJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@H]1c1ccc(Br)cc1	9693391	WNAIBYQCFFRWBC-KRWDZBQOSA-N	444.329	4.808	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c(C)n1-c1ccc(O)cc1	35104501	HLYRZXNXFFNXLA-FSJBWODESA-N	434.477	4.687	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(C)o3)C3=C(CCCC3=O)N2)cc1	100924658	MUIXNMXSZCZRMI-JOCHJYFZSA-N	433.533	4.697	50	40	IJGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1OC	207387634	AKAATFKNFQOOQI-MLPAPPSSSA-N	435.705	4.974	50	40	IJGB	
O=C(N/N=C\c1ccc(O)cc1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408726229	AOAKMEDMDOOEMU-PPDIBHTLSA-N	425.410	4.695	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OC(C)C	408962417	RRJHDRPDXAXGAB-LSHDLFTRSA-N	431.832	4.554	50	40	IJGB	
COc1cc(/C=N/NC(C)=O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1	409011516	NQJVJLLYLLKECO-ODCIPOBUSA-N	446.128	4.814	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC	409052106	GBGHHWMJCQDIKL-SSDVNMTOSA-N	437.721	4.748	50	40	IJGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1	409254965	XGAJOMZBVFATFK-OVVQPSECSA-N	430.552	4.857	50	40	IJGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OCC	804024	YSIGCXZWEDXISC-QHCPKHFHSA-N	430.508	4.505	50	40	IJGB	
CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1OC	2186222	MGEASVJOLQUXKY-QHCPKHFHSA-N	430.508	4.586	50	40	IJGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	6577969	JEPDSQBXBAVXBW-GOSISDBHSA-N	425.941	4.877	50	40	IJGB	aggregator
CCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1OC	9308592	YFMIBZYPKBMSAI-JOCHJYFZSA-N	438.487	4.855	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)c2C)cc1	12590274	ZVJSKGGYEQLMBW-CPNJWEJPSA-N	430.464	4.865	50	40	IJGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc([N+](=O)[O-])c1O	16943270	XBUUMBHSKURXKE-MKMNVTDBSA-N	447.428	4.603	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC(=O)O	59336492	YXRCFFULQAEOAL-GDNBJRDFSA-N	431.275	4.731	50	40	IJGB	
CCO[P@](=O)(c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)oc1N1CCCCC1	101434007	RFTTVQBAFKLZPW-WJOKGBTCSA-N	441.424	4.506	50	40	IJGB	
O=C1CC(c2ccc(O)cc2)CC(=O)C1[C@H]([C@H]1CC=CCC1)N(CCCl)CCCl	104125872	JTULRIBDHMEYEQ-TYAKVHMRSA-N	438.395	4.529	50	40	IJGB	
C/C(=N\NC(=O)CSc1nnc(SCc2ccccc2Cl)s1)c1ccco1	9762388	QCKLQVHKNDYFDK-YBFXNURJSA-N	438.987	4.709	50	40	IJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cc1	10059568	JGAWGKXSVNDIAG-DMBOVMDOSA-N	439.737	4.851	50	40	IJGB	
CCc1ccc(-c2nc(C(=O)NNC(=O)NCCCc3ccc(C)cc3C)cs2)cc1	10218790	HVXZWFTWXHSNPD-UHFFFAOYSA-N	436.581	4.566	50	40	IJGB	
Cc1ccc2c(c1Br)/C(=N/NC(=O)c1ccc(-c3ccccc3)cc1)C(=O)N2	12403615	HAOLBGSGEUAUAR-UHFFFAOYSA-N	434.293	4.511	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1OC	13648635	KZYCZYXYWFGMRZ-JLHYYAGUSA-N	426.429	4.851	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1	408788358	CKJYKPYETKSLKQ-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c1	408811609	LRDGUBRQKGQAGX-WGARJPEWSA-N	429.476	4.699	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1ccc2ccccc2c1	409246340	BGTUZJYMHNQLHO-GRSHGNNSSA-N	449.894	4.573	50	40	IJGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)c1C	409314396	FZIKAHIJNDOITA-QGZVFWFLSA-N	425.941	4.667	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCCC)c(Br)c2)cc1OC	409319777	LRCXRPWYAITGOZ-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c([N+](=O)[O-])c1	9972325	AGRRBFZMMNIDRI-JLUADYMRSA-N	433.424	4.553	50	40	IJGB	
COc1ccc(/C(C)=N/NC(=O)CSc2ccc(Cl)cc2)cc1Br	20244005	VFPHQHNZQGBLST-RGVLZGJSSA-N	427.751	4.744	50	40	IJGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3cncc(Br)c3)o2)cc1Cl	44950368	HLYBAKWCNCQVKE-LSHDLFTRSA-N	434.677	4.530	50	40	IJGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	57315311	VWYYUHOAROUAEF-MWAVMZGNSA-N	448.570	4.926	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408568317	IXUBOKMGMUQBLH-YQCVNYCESA-N	430.595	4.872	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3cccc(OCc4ccccc4Cl)c3)CC2=O)cc1	408606021	KZUQWEWBBJMMQK-IBGZPJMESA-N	449.938	4.724	50	40	IJGB	
CC(C)COc1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	408719481	GFEIKYDAHIPYPO-SSDVNMTOSA-N	435.387	4.867	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)cc1	408746091	XFSNUPTXKDURCL-MOSHPQCFSA-N	442.471	4.939	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccc(OC)cc3)c2C)cc1	408813191	OQGXPUZIMUGLLF-JCMHNJIXSA-N	429.520	4.725	50	40	IJGB	
Cc1cc(C)cc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c1	408840525	GQOXINWTEFILJL-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408856941	IKPYZCCPZSGKBH-OGLMXYFKSA-N	440.499	4.957	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408884943	WBYSAVZENGLUPT-LZYBPNLTSA-N	446.288	4.852	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccc(C(=O)O)cc1	408968179	WZFCMAJOAZYQIQ-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(Br)c1OC	409243575	SRHMXKQBGLVBHH-PDGQHHTCSA-N	443.341	4.512	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1F)C(=O)Nc1ccc(F)cc1	409369273	AKJIQUIHJIBWOC-GHRIWEEISA-N	433.414	4.528	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)o1	2321872	MYTAXIGMSNKVAU-AUEPDCJTSA-N	448.262	4.999	50	40	IJGB	
CCCCOc1cccc(-c2cc(C(=O)NN=C3CCN(C)CC3)c3ccccc3n2)c1	17097056	VHLOXDMXQSQZAP-UHFFFAOYSA-N	430.552	4.892	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)Cc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	34870798	MLZRDLJCKIQYIJ-QQXSKIMKSA-N	436.895	4.651	50	40	IJGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1	35402801	WCEHLIJHZYMWGA-CYVLTUHYSA-N	444.512	4.935	50	40	IJGB	
O=C1OC[C@@H]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)/C1=C\c1ccccc1	104381707	RPJPEHMEPRADSV-SQDLFYSFSA-N	436.491	4.722	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC)c(Br)c3)cc2c1	409186545	DNEACPSYMZYTKC-UUYOSTAYSA-N	431.286	4.757	50	40	IJGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1C	409232023	MQKGBHJKPBMCJA-OSVNEOKWSA-N	427.504	4.665	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1C	409251481	QPQQFUABVYWRJE-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c1C	409252618	SXIFYLNKVZSTDH-MIDMBNTASA-N	441.531	4.974	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1	9203060	PMUVVFSCQFYBDZ-WSDLNYQXSA-N	442.269	4.619	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1	12463605	RWGRMEGCFBFEMA-KSEXSDGBSA-N	448.379	4.823	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1OC(C)C	33707045	BCFHXQWNEHNBKO-PXNMLYILSA-N	428.872	4.770	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)cc1Cl	107589026	JDHXPCSOVAVAKT-MSXFZWOLSA-N	431.275	4.914	50	40	IJGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3)n2)c1	408725952	RACYDLUMTQFYGR-WPWMEQJKSA-N	440.503	4.629	50	40	IJGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1Br	408810324	LZXUZYFLOBTLIP-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)n1-c1ccc(N(C)C)cc1	408905273	WLDDHGUHEAKFEO-QFEZKATASA-N	445.479	4.578	50	40	IJGB	
O=C(CSc1ccccc1F)NNC(=O)c1ccc(-c2nc3ccccc3s2)s1	9514795	DBAZJGFHOHHSSO-UHFFFAOYSA-N	443.550	4.717	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(C(=O)OC(C)C)c3)c2C)cc1	20764442	UIQWSVVHLGGZKF-JVWAILMASA-N	447.535	4.822	50	40	IJGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(OC)c1	33305932	LBRNKEVZPFUZKS-QRVIBDJDSA-N	444.329	4.814	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)cc1	408812506	LYNIXRASFZERFP-XSFVSMFZSA-N	431.467	4.956	50	40	IJGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)CSc3nc4ccccc4o3)c2)cc1	408881772	MPRHRZSOKGFWOL-AFUMVMLFSA-N	445.500	4.598	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)c(C)c1	409267731	WBLCKQPIOYLYMY-KGENOOAVSA-N	425.488	4.867	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1OC	409323160	OCHZQXOCSQOBHO-PKAZHMFMSA-N	430.504	4.911	50	40	IJGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(CSc2nc3ccccc3s2)cc1	3231960	CCPXFZBMHOOOMG-SRZZPIQSSA-N	438.490	4.854	50	40	IJGB	
CCOC(=O)[C@@H](C)SC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1	13175737	YGNZKCPTTZUEHN-VGSWGCGISA-N	447.560	4.706	50	40	IJGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C(=O)NC1CCCCC1	16489346	YEGVHPVPGDULRL-XDJHFCHBSA-N	426.520	4.636	50	40	IJGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)NCc1ccc2c(c1)OCO2	19645368	MSYINSPEVVKPTJ-UDWIEESQSA-N	446.890	4.871	50	40	IJGB	
N#Cc1c(N2CCCCC2)nc2c3c(nc4c(c13)C[C@H](CCl)O4)NC1(CCCCC1)N2	25462732	WIXHFASJNQSKKE-CQSZACIVSA-N	438.963	4.532	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C	34871542	GKYASORTMDPGRW-CEUNXORHSA-N	437.543	4.789	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1	408764570	JJYQYRODGQVISG-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1	408942924	SCOGAOCEJSTVLN-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	2336760	KYJCAOZXSWQMQJ-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
CCOc1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1	17097055	DRIOARCYFMEEQT-UHFFFAOYSA-N	430.552	4.891	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1	59333150	DALCDBPHMJAUKY-BWAHOGKJSA-N	438.575	4.967	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1ccccc1F)C(=O)Nc1ccccc1Cl	408706901	DXGKXCMFLYIAGU-BRJLIKDPSA-N	445.281	4.965	50	40	IJGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NCCC(C)C	408708803	SZFXJEUONWGEMY-BRJLIKDPSA-N	435.355	4.658	50	40	IJGB	
CCOc1cc(C(=O)N/N=C\c2ccc3c(c2)C[C@H](C)O3)ccc1OCc1ccccc1	408710938	YWAYFSIDVBHOSX-GEGDGZKASA-N	430.504	4.752	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(Br)cc1OC(C)=O	408745110	JUWRRQOSIYQELQ-QPEQYQDCSA-N	449.688	4.582	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Br	408765184	XCMTVFKXYWKXJE-FOKLQQMPSA-N	429.236	4.559	50	40	IJGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3ccc(C(=O)OC)cc3)c2c1	408798619	WJTFJHKBGSTIRS-XMHGGMMESA-N	444.487	4.969	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c(OC)c1	408872219	BFNUPFBRCRZPRB-FYJGNVAPSA-N	446.478	4.645	50	40	IJGB	
Cc1c(-c2ccc(/C=N/NC(=O)COc3ccc4ccccc4c3)o2)cccc1[N+](=O)[O-]	409171471	BYTBDNPRVANBDS-AFUMVMLFSA-N	429.432	4.846	50	40	IJGB	
CCOc1c(Cl)cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1OC	657419	PCTMWISHYFQECK-UFFVCSGVSA-N	435.958	4.599	50	40	IJGB	
N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	1212059	LOPVDMYFCCIPRW-VMPITWQZSA-N	433.032	4.737	50	40	IJGB	
O=C(c1ccc2c(c1)OCCO2)[C@@H](Br)[C@@H](Br)c1ccccc1	2275928	PAEYQESFSZSVTP-HOTGVXAUSA-N	426.104	4.540	50	40	IJGB	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)/C=C/c3cccs3)cc2)cc1	13095833	LAOIILGTOJOLGC-NTEUORMPSA-N	426.563	4.861	50	40	IJGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1	408553283	NMOKLRIYVIWZBZ-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
Cc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1	408692841	WPRYVVZKUNNMOG-BRJLIKDPSA-N	443.320	4.558	50	40	IJGB	
CCOc1ccccc1/C=N/NC(=O)Cc1csc(Nc2cccc(C(F)(F)F)c2)n1	2162154	UUWRNRXRVMAYBZ-BRJLIKDPSA-N	448.470	4.997	50	40	IJGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1ccc(Br)cc1	2296445	OPHPYURHIZYFCW-WSDLNYQXSA-N	449.301	4.536	50	40	IJGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(OC(F)F)cc2OC(F)F)c1	3343170	UAFTVRRNNGLTNA-NSKAYECMSA-N	442.409	4.850	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCc3ccccc3C2)c1C	4086978	BRGNSCAFRMHRKP-OEAKJJBVSA-N	440.503	4.803	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc2c(c1)OCO2	12649648	AYKBUFZKZWSYRB-OGLMXYFKSA-N	439.471	4.697	50	40	IJGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	13576177	JTAJEFTUAFEWRJ-HIQXPHMNSA-N	435.505	4.805	50	40	IJGB	
O=C(CN1C(=O)c2cccc3cccc1c23)N/N=C/c1ccc(OCc2ccccc2)cc1	108904718	GJZPOXFMYYLXKO-LQKURTRISA-N	435.483	4.529	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC[C@@H]1CCCO1	207158747	ATZUATLKZLYPMV-DMVFFGLYSA-N	431.319	4.775	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1F	408677213	QAQNOOMORFDUKG-OGLMXYFKSA-N	447.510	4.777	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OC	408793732	GJBOHQNWYSLMLQ-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
COc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1	408874544	DKWVIROICWAMIC-OYKKKHCWSA-N	439.309	4.801	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1F	408886302	GAAORFKENOMLMF-XDHOZWIPSA-N	446.434	4.657	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)c1	408997244	MFVGOTVOOQOBFS-CIAFOILYSA-N	431.311	4.966	50	40	IJGB	
O=C(N/N=C\c1ccc(N2CCCC2)c(F)c1)c1cc2cc(Br)ccc2o1	409070085	MYDAVGVIEACWSJ-FMCGGJTJSA-N	430.277	4.699	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)c1C	409253981	CLEVNZURZBTELT-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1OC	939422	YIDLYRRUHZRTAL-LZYBPNLTSA-N	439.924	4.950	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccc(F)cc1	13058101	YLVOXYBJRURYGP-XDHOZWIPSA-N	446.434	4.657	50	40	IJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)o1	15357234	GKLKSPOXWHJHTC-ZROIWOOFSA-N	428.311	4.944	50	40	IJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)cc1	30820838	GWYXGEYLVWAGFD-VXIMLZEYSA-N	430.504	4.948	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)o1	33410996	BWWLOUHXEIRNMD-RQZCQDPDSA-N	439.431	4.872	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)c(OC)c1	33619397	RWLVLRZRNWZFNZ-JFLMPSFJSA-N	427.504	4.779	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1	40006573	HMHCUWLLGULVHD-PRWBYUBPSA-N	440.927	4.520	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)cc1OCc1ccc(C)cc1	59334722	GONZHOFOLKBDRD-ZDLGFXPLSA-N	443.341	4.730	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)cc1	408744217	XJQMXVOSERLMIF-JVWAILMASA-N	425.488	4.798	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	408777165	WCHKTRWUQXYWCP-MFOYZWKCSA-N	443.887	4.657	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Br)c1OCC#N	408794150	HQJPMRMYFSBNBE-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3OC)o2)c([N+](=O)[O-])c1	408805269	FQNBIJZJAIXKKX-RVDMUPIBSA-N	433.420	4.726	50	40	IJGB	
CC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1C	409014228	WOAAMOKDMOJAAO-AFUMVMLFSA-N	434.565	4.757	50	40	IJGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC	409054628	UQOMWCJZBPOZGU-SSDVNMTOSA-N	439.737	4.972	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(Br)cc1OC	409241738	UJRDRPMHOUQAJB-AYCSXLNKSA-N	429.314	4.641	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)NCc1ccccc1	409258928	WNDWZHUGUKWMJM-XSFVSMFZSA-N	445.906	4.581	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccccc2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409319999	OKTRGRIPOUSVNZ-CQSZACIVSA-N	432.332	4.704	50	40	IJGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1OC	2433213	AJJPRQANPPCHPT-KRWDZBQOSA-N	441.940	4.577	50	40	IJGB	
Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)Cc3cccc4ccccc34)ncnc21	12140441	MMAGJFBLTSHUPG-UHFFFAOYSA-N	442.910	4.616	50	40	IJGB	
Cc1ccc(C(C)C)c(OCC(=O)NN[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1	13138134	CALUBRGHKMGIAN-VWLOTQADSA-N	449.526	4.637	50	40	IJGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cccc(C(F)(F)F)c1	13576163	OIZYLODJKPJGBD-LSFURLLWSA-N	431.277	4.851	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c1	32194074	JZQFPXFBOXUPLB-UVHMKAGCSA-N	443.425	4.663	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(Cl)cc1Cl	408854773	AYTQDKVDQYYRLK-AWQFTUOYSA-N	431.117	4.713	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c1	409230184	CFIQBRYVDKQPOK-JLPGSUDCSA-N	441.531	4.537	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2)c1	409261051	AMMYDVXDCSKJDS-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1OC	409321975	VMVUIAKRZVCEEL-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
CCc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)cc1	4761431	AVWFUNHTWVTAKP-JOCHJYFZSA-N	433.533	4.643	50	40	IJGB	
C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1cccc([N+](=O)[O-])c1	9849448	AGNVUWINIVZWHJ-BWAHOGKJSA-N	430.464	4.580	50	40	IJGB	
O=C(NN=C1CCCC1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1	20059458	RZDMKUBQSJVKMT-UHFFFAOYSA-N	447.560	4.742	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Br)c1OC	408734527	HKTLCRJZZAAFCG-AWNIVKPZSA-N	435.705	4.974	50	40	IJGB	
COc1cc(/C=N/NC(=O)CNc2ccccc2)ccc1OCc1cccc2ccccc12	409375450	KWLFDUQJTSSITD-STBIYBPSSA-N	439.515	4.990	50	40	IJGB	
CCOC(=O)C1=C(CSc2ccc(Cl)cc2)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1	8873505	DGVZLIUTPIITNI-IBGZPJMESA-N	444.915	4.896	50	40	IJGB	
COc1ccc(C(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1	59472640	GFGWLFVFJCAQRC-FVDSYPCUSA-N	435.483	4.529	50	40	IJGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)ccc1OCc1ccccc1Cl	83317351	PLHSWSHDTIOGAK-WGARJPEWSA-N	426.875	4.760	50	40	IJGB	
O=C1N=C(O)/C(=C/c2ccc3c(c2)CCN3CCCCl)C(=O)N1c1ccc(Cl)cc1	103099074	HZPGXZAFNSYYLK-AQTBWJFISA-N	444.318	4.838	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1	408802913	JCYHGBFVLRVDLW-LICLKQGHSA-N	442.899	4.858	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1Cl)Nc1ccccc1	681277	SCGRNQVEDWXYOS-VULFUBBASA-N	447.878	4.868	50	40	IJGB	aggregator
CCCc1n[nH]c2c1[C@H](c1cccc(OCC)c1OCc1ccccc1)C(C#N)=C(N)O2	706891	XAVSHDHBGHBBCW-OAQYLSRUSA-N	430.508	4.558	50	40	IJGB	
N#C/C(=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12)c1cccc(C(F)(F)F)c1	920246	LJHOXFXESOTIKZ-PDGQHHTCSA-N	439.437	4.583	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)cc1	2319718	NIWLGQLMKZMSLX-FSJBWODESA-N	427.961	4.501	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OCc1ccccc1	6014870	ZUCDCMNTUCZEHJ-HXUWFJFHSA-N	430.508	4.513	50	40	IJGB	
C/C(=N/NC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1ccc(Cl)c(Cl)c1	9327420	NANROZHQOPCEQB-VYYCAZPPSA-N	438.318	4.946	50	40	IJGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)c1C	9493877	GXAJJEYRLIZTDE-UHFFFAOYSA-N	430.533	4.547	50	40	IJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1O	14408730	YYZLHIYAQIBKIM-YDZHTSKRSA-N	427.298	4.861	50	40	IJGB	
N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408554987	UVOVPGFZSQPYBR-FOWTUZBSSA-N	442.500	4.533	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc(Cl)c1OCC#N	408745726	ABXLTCREKXUGBA-JYRVWZFOSA-N	446.688	4.559	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1	800452	LDYIZYMQGCXURL-QHCPKHFHSA-N	434.467	4.618	50	40	IJGB	
Cc1cccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(CC(C)C)CC(C)C)c1	12462851	WZIVYMJONZZNAH-DHRITJCHSA-N	440.544	4.551	50	40	IJGB	
CO[C@H](C(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C)c1ccccc1	20243796	KERCLEFMZKNFCB-GQBLCDNYSA-N	440.341	4.694	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1OCC(=O)Nc1ccc(C)cc1	33555931	WXHFOKWDYFQBPY-MOSHPQCFSA-N	443.459	4.994	50	40	IJGB	
COc1cccc([C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O)c1	169840212	QNLRECGCWBMDFX-IAGOWNOFSA-N	425.598	4.736	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)cc1C	409254649	FFMRWNBSATUSIT-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1	409315139	ILEGLYDTIHJFTG-GOSISDBHSA-N	437.590	4.681	50	40	IJGB	
Cc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21	872781	SKWVAFPWWFCJOG-HMMYKYKNSA-N	425.488	4.845	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	20428891	MLUJLKPQFBYTJC-HCGXMYGOSA-N	438.620	4.754	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c1	408708243	OUEGTRUDDVHAGF-MSMHQLFBSA-N	440.975	4.845	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OCc1ccccc1F	408783995	PAVHZQOBSCAPSI-PXNMLYILSA-N	447.304	4.607	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1	408897965	JOOKDHUXOFODPE-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)c2C)cc1	408963240	BBOAFQGYYWUNKI-ZMOGYAJESA-N	432.436	4.521	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)c1	58913199	SZCWFCHRQYWHAN-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(Cl)c(Cl)c1	59249716	JUJVYFMMIBUDAL-AWQFTUOYSA-N	431.117	4.713	50	40	IJGB	
CC(C)COc1ccc(/C=N/NC(=O)COc2ccc(C3SCCS3)cc2)cc1	408570163	SGSLRTJNLWRKRY-YDZHTSKRSA-N	430.595	4.729	50	40	IJGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1	408778085	AMHQPTAKWDHROL-PLRJNAJWSA-N	437.543	4.830	50	40	IJGB	
O=C(N/N=C\c1ccc(N2CCCCCC2)o1)c1cc2cc(Br)ccc2o1	408850207	IEEQJJDLZRBUCS-XKZIYDEJSA-N	430.302	4.933	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)Nc3ccccc3)c2)c1C	409272838	STWHCTPZMVHUMM-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
COCCCN(C[C@@H]1CCCN2CCCC[C@H]12)C(=O)CCCC[C@@H]1CCSS1	524729565	YNUNLQRCFFUJHD-PWRODBHTSA-N	428.708	4.830	50	40	IJGB	biogenic
CC(=O)c1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)cc1	1801229	GLMBTRFUCBZHHH-JKSUJKDBSA-N	425.120	4.727	50	40	IJGB	
O=C1Nc2ccc(Cl)cc2/C1=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	3260888	GQOUGZLRMNAGTR-UHFFFAOYSA-N	426.863	4.641	50	40	IJGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(O)c(OC)c2)cc1	408773675	SWCPZLXQONAPSJ-GDNBJRDFSA-N	444.329	4.555	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C(=O)OC)cc4C)o3)cc2c1	409186655	GBZFHASCWZXHOR-WGARJPEWSA-N	446.459	4.950	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)o1	409367688	IENOZESSEJNHQA-WYMPLXKRSA-N	438.281	4.565	50	40	IJGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Br)cc2)c1C	409388320	TZEIFEQDRSQDPV-UNOMPAQXSA-N	437.341	4.952	50	40	IJGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)Cn3cc(C#N)c4ccccc43)c2c1	2174920	VIHCFQVWUYFPHP-RWPZCVJISA-N	440.503	4.614	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	15222565	GWTYQACDYIAQTO-YBEGLDIGSA-N	427.298	4.877	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccccc1C(=O)O	27532517	MLHYMIKCHGPWBX-FMIVXFBMSA-N	437.795	4.752	50	40	IJGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	58928118	JELKTUTVHYXFIN-DHRITJCHSA-N	425.529	4.625	50	40	IJGB	
COc1ccc(C(=O)Oc2cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)ccc2OC)cc1	408891467	RBFVSZCRJCSYES-XSFVSMFZSA-N	442.471	4.777	50	40	IJGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)C(=O)NC3CCCC3)c3ccccc32)c1	409195503	QCZDMRQWPXBCLF-RGEXLXHISA-N	426.520	4.554	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1OCc1cccc(C(=O)O)c1	108133225	LGIBZACVMLJDFE-BKUYFWCQSA-N	429.428	4.735	50	40	IJGB	
O=C(CCl)Nc1ccc2oc(-c3cc(I)ccc3Cl)nc2c1	226327923	INXKMBSSMHITJD-UHFFFAOYSA-N	447.059	4.930	50	40	IJGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)C(=O)Nc1ccc(F)cc1	408541780	HPCOEGRZDUGWLG-PTNGSMBKSA-N	429.407	4.666	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)c2C)cc1	408587453	GAHLYJJSPYGMTI-JVWAILMASA-N	431.536	4.580	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c1	408708001	NBZRGBBNZAEXEN-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OCC#N	408799163	YHFZWWYFKIAPSP-RIYZIHGNSA-N	430.689	4.859	50	40	IJGB	
Cc1ccccc1CN(c1ccc(C(=O)NN=C2CCCCCCC2)cc1)S(C)(=O)=O	409134315	ODUCYABKVOOMSF-UHFFFAOYSA-N	441.597	4.791	50	40	IJGB	
N#C/C(=C\c1ccccc1F)S(=O)(=O)c1cc(Br)ccc1Br	3321151	RJGFSJFAJVHENE-KPKJPENVSA-N	445.107	4.689	50	40	IJGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc3ccccc23)[C@@H]2CN(Cc3ccccc3)CC=C12	4398416	PPXULTQNGHRABN-KAYWLYCHSA-N	441.538	4.765	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C#N)CCCC2	9323493	KULCORVAXMQVQK-DHRITJCHSA-N	447.520	4.578	50	40	IJGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1	14186358	KFQDGIGTSIPIIG-VWGHSQMFSA-N	447.988	4.602	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccc(Cl)cc1	58912803	BDGBVXZVXLBFHS-VULFUBBASA-N	436.943	4.960	50	40	IJGB	
COC(=O)c1cccc(Cn2cc(/C=N\NC(=O)Nc3ccccc3)c3ccccc32)c1	408540637	ANRGIZGTJQDYFR-YSMPRRRNSA-N	426.476	4.632	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(N2CCCC2)cc1	408676309	HJFAGLLVCIITBI-YZSQISJMSA-N	444.491	4.538	50	40	IJGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)c1	408708643	RWQCYSCCXAPLGK-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1ccc(Cl)cc1	408779894	MZZGSWYIQNTWQO-POXDSXPOSA-N	440.938	4.955	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(F)cc1	408967891	SNVIDEYHDYCUBY-CCVNUDIWSA-N	435.430	4.578	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccc(C)cc1	409129304	GCBHNKOUGUMJCF-RUZDIDTESA-N	428.488	4.897	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)cc2c1	409190860	XDTRBRIWZAKDPG-WGARJPEWSA-N	445.475	4.701	50	40	IJGB	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1	1435845	CGTVGWDYVNIPRA-SFHVURJKSA-N	426.339	4.815	50	40	IJGB	
COc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c(OC)c1	2442125	VWQRISDQPYQOCB-GOSISDBHSA-N	441.940	4.577	50	40	IJGB	
Cc1ccc(C(C)C)c(OCC(=O)NN[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1	13138133	CALUBRGHKMGIAN-RUZDIDTESA-N	449.526	4.637	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2ccc(C)cc2)c(OCC)c1	27562966	NMXGWQXEWHQBST-HMMYKYKNSA-N	437.492	4.628	50	40	IJGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1	59501722	DKWVIROICWAMIC-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(OC)c1	408764541	JEHROXQZFBJKBT-WJDWOHSUSA-N	428.330	4.850	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409217453	VITJIKXOAPPLOL-SSDVNMTOSA-N	445.884	4.759	50	40	IJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)n1	409370512	RYIWUWDLZYZKFI-MDWZMJQESA-N	441.241	4.678	50	40	IJGB	
C[C@H](Br)[C@@H](OC(=O)c1ccccc1)c1cc2c(cc1Br)OCO2	1628451	LLZUKDFNUHDNRA-MGPLVRAMSA-N	442.103	4.859	50	40	IJGB	
CCCCc1ccc(OCC(=O)N/N=C/c2c[nH]c3ccc(Br)cc23)cc1	3089648	JQAAVJIYBAUDOD-ZMOGYAJESA-N	428.330	4.802	50	40	IJGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2ccc(OC4CCCC4)cc2)C(C#N)=C(N)O3)cc1	8382679	DEMBCVDVKCLGMD-OAQYLSRUSA-N	428.492	4.625	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1I	9263113	QACJTQQBACSYTF-MHWRWJLKSA-N	446.288	4.852	50	40	IJGB	
C/C(O)=N/S(=O)(=O)c1ccc(-c2ccc(/C=N/C3=C(C#N)[C@@H]4CCC[C@@H]4S3)o2)cc1	16321120	QTLVWIAGRNFEEE-SHRSOGDZSA-N	441.534	4.681	50	40	IJGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1	38682118	ZKXHSMBXWDATAD-JOCHJYFZSA-N	432.476	4.985	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	44835467	LSVNNFBFJYJPKG-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Br)cc1)c1cccc(NC(=O)c2ccccc2)c1	59401689	SFFUNSVSEOMOCO-MFKUBSTISA-N	436.309	4.855	50	40	IJGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cc(OC)c(Cl)cc1OC	408835182	MUUISJZRKGQWOT-OQLLNIDSSA-N	430.888	4.700	50	40	IJGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)NCc3ccc4c(c3)OCO4)c2c1	409202943	VMIOCQKXECLCAM-XDHOZWIPSA-N	444.487	4.589	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(N(C)C)c3)o2)c(Br)c1	409222989	YIVANAFLUYGVFF-YDZHTSKRSA-N	426.314	4.847	50	40	IJGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(OCc3ccccc3F)c(OCC)c1)C(C#N)=C(N)O2	622964	UMHJNGZNUDSWTR-QFIPXVFZSA-N	448.498	4.697	50	40	IJGB	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(OC)c3)c3ccccc3n2)cc1	2089576	CZEKDNFFQJNYJU-JVWAILMASA-N	441.487	4.692	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2O)ccc1OCc1cccc2ccccc12	2194213	DOHRAYCPZCCWDQ-JVWAILMASA-N	426.472	4.897	50	40	IJGB	
C[C@@]12CC[C@@H](C/C1=N\NC(=O)c1ccc(Br)cc1)[C@@]2(C)CBr	35982085	XKZKNAXMUWJWPJ-HJBUOVDQSA-N	428.168	4.756	50	40	IJGB	
Cc1c(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc2n1Cc1ccc(F)cc1	408692361	KTUHWJXIHBVSHH-IPPBACCNSA-N	432.474	4.838	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)cc1	408792908	BYSPTHMHPCDDFE-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)c(Br)cc1OC	409057699	WBAUBSJERQDPCV-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
Cc1ccc(C(=O)OCC(=O)N(/N=C/c2ccccc2)c2cccc(C(F)(F)F)c2)o1	13109631	PIGSONRWPZXYEG-LGJNPRDNSA-N	430.382	4.831	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)cc1C	32109661	RNDNXEANRKBFGP-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
N#C/C(=C/c1ccc(I)o1)C(=O)Nc1cccc(Cl)c1Cl	59335871	PKVHNSKAJDNFLT-VURMDHGXSA-N	433.032	4.737	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1	208249137	APFQCWYXEGQEPZ-UXIIITNFSA-N	429.948	4.600	50	40	IJGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	408840593	ZLRFQKIYMSFOQD-UHFFFAOYSA-N	442.302	4.629	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OCc1ccccc1F	409137286	WNJJCJINBIEOTG-XMMPIXPASA-N	432.451	4.727	50	40	IJGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409216116	FGFAXCIRRNTVGW-FSJBWODESA-N	428.897	4.629	50	40	IJGB	
CC(C)(C)OC(=O)NC[C@@H](Cn1cc(Br)cn1)O[Si](C)(C)C(C)(C)C	1911531243	PWLFLNZLWWGREZ-AWEZNQCLSA-N	434.451	4.561	50	40	IJGB	
CCOC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ccc(C)cc1	1888389	ZSSVYGAVFFLVSW-AJNNJPABSA-N	426.925	4.638	50	40	IJGB	
CCCCOc1ccc([C@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C(=O)OCC)cc1OC	8721058	YPGMZSCTWGZVKS-QFIPXVFZSA-N	448.519	4.656	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(F)cc1	8812161	KFOPXCGNWKKLNG-UFFVCSGVSA-N	432.205	4.520	50	40	IJGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20247157	OFVYNWBGDFRXSZ-DXPRYJPLSA-N	449.963	4.878	50	40	IJGB	
C[C@]12CC[C@@H](C/C1=N\NC(=O)c1ccc(Br)cc1)[C@@]2(C)CBr	100920933	XKZKNAXMUWJWPJ-ZAFLMIQNSA-N	428.168	4.756	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1OCC#N	409033181	NJAQEQVIZHBZDL-OGLMXYFKSA-N	436.471	4.577	50	40	IJGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3cccc([N+](=O)[O-])c3)cs1)OCO2	8818410	BCIYGAKXEKWCDB-NTEUORMPSA-N	434.433	4.626	50	40	IJGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2c(C)nn(Cc3ccc(Cl)cc3)c2Cl)c1	9666089	CUPWUJQOFKGSNN-OPEKNORGSA-N	445.350	4.693	50	40	IJGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2cc3ccccc3oc2=O)cs1	11853114	YDRXAQWPHKNSCK-JLHYYAGUSA-N	434.408	4.940	50	40	IJGB	
CCOc1cc(Br)c(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC	409052134	GEQFHUGBSZLLJT-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc2c(c1)OCCO2	409185764	PSULJIDSYDUITM-WGOQTCKBSA-N	430.529	4.801	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2cccc(Cl)c2Cl)nnc1-c1ccc(C)cc1	1833845	YYNBUYNPLPXZGH-FOKLQQMPSA-N	448.379	4.823	50	40	IJGB	
C/C(O)=N/S(=O)(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)cc1	6014811	AOZHAOOJPIGVCR-VBKFSLOCSA-N	432.461	4.552	50	40	IJGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1cccc(Cl)c1Cl	13151510	ADVLKSFTWPMJSK-MXAYSNPKSA-N	449.382	4.690	50	40	IJGB	
CCN1c2ccc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)cc2[C@@H](C)CC1(C)C	223529043	VYTOHHIWNMRVFT-GCMSVZMUSA-N	440.569	4.949	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1OC	408747870	VAZATZXROHYCSX-ZROIWOOFSA-N	445.700	4.669	50	40	IJGB	
Cc1cccc(OCC(=O)N/N=C2\C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1	2276458	TZHOKJNJFWFJKA-IKPAITLHSA-N	449.510	4.594	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Cl)c1OC(C)C	9204560	DVWUTHPVNWVNQG-SSDVNMTOSA-N	439.737	4.591	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1C#N	59437461	MSICKANOBNRQOY-OYKKKHCWSA-N	437.499	4.759	50	40	IJGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2)cc1	408900820	XQMQIXRSPDNQSW-UDWIEESQSA-N	441.443	4.977	50	40	IJGB	
CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NN(c1ccccc1)c1ccccc1	409002538	OKXCDHNKYIDHSS-XMMPIXPASA-N	442.519	4.695	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccc(F)cc1	2774376	XJNSVGSKERYPTN-LDADJPATSA-N	446.434	4.657	50	40	IJGB	
CCOc1ccccc1/C=N/NC(=O)c1ccc(N/N=C/c2ccccc2OCC)cc1	12564248	SNXRUSBRLRTYGD-HEPXYTLMSA-N	430.508	4.694	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(C)/C=C/c2ccccc2)nnc1-c1ccc(Cl)cc1	13882264	CFFMAYJJRRCNMH-KHDVMMCISA-N	439.972	4.916	50	40	IJGB	
O=C(CCCl)Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1	35310825	NRHGEELALWIWEU-UHFFFAOYSA-N	432.958	4.503	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Br)cc1O	72042002	JRBHRBOQZUIPIS-WZUFQYTHSA-N	441.203	4.728	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408790176	UPKAJYLFRVEJSI-XMHGGMMESA-N	429.432	4.728	50	40	IJGB	
O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2ccc(-n3cccc3)cc2)cc1	408960000	HXOZIXRKIDDVBF-PKAZHMFMSA-N	439.471	4.518	50	40	IJGB	
O=C(N/N=C\c1cccn1-c1cccc(Br)c1)c1cccc(-n2cccc2)c1	409010291	BVCLLOWCYCNNJG-JLPGSUDCSA-N	433.309	4.794	50	40	IJGB	
Cc1[nH]nc2c1[C@H](c1ccccc1OCc1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	409142307	XZNMCCOOZJPBNK-LJQANCHMSA-N	427.291	4.822	50	40	IJGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)c1	409362820	KGVRVAVAMYVJCT-OYKKKHCWSA-N	448.435	4.605	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(O)c(I)c1)c1cccc(F)c1	409389826	CIWXSHSSKYWSCJ-WCIBSUBMSA-N	444.041	4.963	50	40	IJGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CCCC3=O)N2)c1	13174345	ONZGACXNDKNUKC-NRFANRHFSA-N	435.574	4.858	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	33296126	RFCRHNUOJQCMEU-UYRXBGFRSA-N	432.451	4.968	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1cc(Cl)ccc1Cl	408592526	YYXMIZZVNMUTOH-OPEKNORGSA-N	444.318	4.822	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)cc1	408691644	JVTAVJMVPBSNCR-DHRITJCHSA-N	439.357	4.727	50	40	IJGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)cc1OC	1437978	LYMCYEBEDAWQAA-MRXNPFEDSA-N	443.290	4.619	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(O)c(I)c1	9263101	JGXSFZZCQJTOLC-KPKJPENVSA-N	438.652	4.504	50	40	IJGB	
O=C(N/N=C/c1coc2c(Cl)cc(Cl)cc2c1=O)c1cccc(Br)c1	19631002	JDQCTQJICBWLCU-QPSGOUHRSA-N	440.080	4.626	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cc(Br)c1OC	34883092	NMRXSPJTJBPJQG-PXNMLYILSA-N	429.314	4.937	50	40	IJGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	59116820	FZAXDJDHWOJWCP-ZROIWOOFSA-N	433.277	4.931	50	40	IJGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	408814829	SJEOSNCFSJYUQL-WHHCHZNCSA-N	442.151	4.519	50	40	IJGB	
N#C/C(=C\c1ccc(Sc2nnnn2-c2ccccc2)o1)C(=O)Nc1cccc(Cl)c1	408993142	UUOFZSXIVXOQLU-SDNWHVSQSA-N	448.895	4.606	50	40	IJGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F	409241437	XNUGKFVUOBCUGJ-WKIKZPBSSA-N	444.865	4.899	50	40	IJGB	
O=C(CCCC[C@@H]1CCSS1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1	575615199	BSDCHSUKNWGUMW-QAPCUYQASA-N	448.075	4.742	50	40	IJGB	
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	2310715	KURXMEVVMJABOR-OAQYLSRUSA-N	449.576	4.919	50	40	IJGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2I)cc1	3255432	YPSUSHNMAYMHSV-LFIBNONCSA-N	446.288	4.872	50	40	IJGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O	5642195	WPINILNZQJRSJI-MFKUBSTISA-N	425.529	4.978	50	40	IJGB	
COc1cc(OC)c([C@@H]2[C@H]3C[C@H](C(C)(C)C)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	8442009	PMUOFPWAARLTGP-DLYSWHJUSA-N	446.551	4.578	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)c1	8986082	VCIITSXRFYNLJR-UDWIEESQSA-N	429.476	4.737	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc(Br)c2)o1	13513590	UDRMLJWHRZZLGI-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccccc2)c1	33774116	ORLUBCITALDSJK-UCQKPKSFSA-N	437.477	4.527	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59678604	YZJLQGUINXEYOK-ODLFYWEKSA-N	433.895	4.669	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1	408942926	SCVSWRSWQNAYHP-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1Cl	409123635	HFOJAUHHPJIEHO-HSZRJFAPSA-N	449.938	4.658	50	40	IJGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=S)Nc3cc(C)ccc3C)cc2)cc1	3264011	YXHDYWFUNWOCIN-UHFFFAOYSA-N	449.576	4.913	50	40	IJGB	
CC(C)(C)OC(=O)NCCO[C@@](C)(CI)c1ccc(Cl)cc1	12359710	YKDQKLZKLXUEAA-INIZCTEOSA-N	439.721	4.532	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc(F)c1	59334669	CJBHNCDLEOKGON-PXNMLYILSA-N	447.304	4.561	50	40	IJGB	
CC1=CC(=O)[C@H](O)[C@@]2(C)[C@H]1CC(O[Si](C)(C)C(C)(C)C)=C[C@H]2CCC1(C)OCCO1	263611035	WTFFTYNTJQXAIA-OFYLTFBOSA-N	436.665	4.968	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	409112719	BZSFNTLDDHVNNG-QRVIBDJDSA-N	441.896	4.929	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409227360	ZOLVWZVJSZQTBA-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
O=C(CNC1CCCCC1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	409384108	BCXSLLUQBYAVLA-LGJNPRDNSA-N	434.367	4.945	50	40	IJGB	
O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	8397889	GJHINQUFMHRRGL-CVKSISIWSA-N	433.508	4.592	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC	34719990	SZCIDTJDWCFCGF-YVLHZVERSA-N	426.266	4.622	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	35419111	MYDMCMMLTMIGDR-NVNXTCNLSA-N	425.872	4.539	50	40	IJGB	
O=C1CC(c2ccc(O)cc2)CC(=O)C1[C@@H]([C@H]1CC=CCC1)N(CCCl)CCCl	104125869	JTULRIBDHMEYEQ-JUDZIISOSA-N	438.395	4.529	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccc(COc3ccc(-n4c(C)ccc4C)cc3)o2)c(C)n1C	108063797	NVMJLWCSWJHVOF-DICXZTSXSA-N	444.535	4.985	50	40	IJGB	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H](CCC3(C)OCCO3)C=C(O[Si](C)(C)C(C)(C)C)C[C@@H]12	263611034	WTFFTYNTJQXAIA-JBIZMDSKSA-N	436.665	4.968	50	40	IJGB	
O=C(NCc1cccs1)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408707240	IKAHDXSFIXINQH-BHGWPJFGSA-N	447.347	4.565	50	40	IJGB	
CCOc1c(Cl)cc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1OC	408904610	MCZZSLJQBMUOJV-FBHDLOMBSA-N	440.725	4.974	50	40	IJGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cccc(Br)c1	3084741	WTACHEOYKRFHNN-DJKKODMXSA-N	442.176	4.595	50	40	IJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	9908297	NPKKUKWETXECAX-JVWAILMASA-N	427.504	4.617	50	40	IJGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	12285175	ACBKGAWVUFWMNY-BELFRPKZSA-N	438.281	4.868	50	40	IJGB	
Cc1ccccc1NCC(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	18122158	KGSYSCWPKCAGBL-TVKQRKNISA-N	448.526	4.627	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408565968	CRCRLJOHEUCQNA-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)c(OC)c1	408882792	OAHCMZOVKRNSMQ-OEAKJJBVSA-N	442.515	4.815	50	40	IJGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccccc1OCC(=O)Nc1ccccc1F)C2	33657833	JQQARAYVABICFB-WTSRCGRESA-N	437.515	4.775	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677812	VBGFRCAPBGKHIM-WTJYETQFSA-N	444.373	4.991	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)cc1	408744700	GNVBUSHFWBUNSR-BKUYFWCQSA-N	439.471	4.700	50	40	IJGB	
CC(C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(OC(C)C)c1	28444756	TYYVVTKFVWPPJE-MTDXEUNCSA-N	446.547	4.647	50	40	IJGB	
COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)cc1OC	34895494	NJMZGVXIFMYCIJ-PGMHBOJBSA-N	428.488	4.762	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cc2ccccc2cc1O	35393774	XKJBGVSEFFWRGZ-CVKSISIWSA-N	441.443	4.797	50	40	IJGB	
O=c1ccc2ccc(OCCCCBr)cc2n1CCCCBr	72399500	HHWILAFYJFYBCK-UHFFFAOYSA-N	431.168	4.731	50	40	IJGB	in-vitro
CCc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccc(C)cc2)cc1	408708341	PGORJVNBTGVLMQ-LQKURTRISA-N	448.954	4.721	50	40	IJGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1C#N	408744221	ZDAKUCVQKWMVQO-UXHLAJHPSA-N	449.510	4.992	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2)cc1	408760958	BKBVDXCGZSEOTD-JXAWBTAJSA-N	427.416	4.668	50	40	IJGB	
O=C(N/N=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	409109625	IIJNJOCVLLAXFT-RMORIDSASA-N	448.291	4.607	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)ccc1OCc1ccccc1Cl	409363105	TTXQFAHNNZRHAT-XQQQEEOESA-N	438.911	4.501	50	40	IJGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1)c1ccccc1	3239349	HYEZXDHYLXXJNJ-JFLMPSFJSA-N	432.430	4.905	50	40	IJGB	
CC/C(=N/NC(=O)[C@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2	8454762	RSYPGRYDAVPQDX-QBPRPCNUSA-N	446.227	4.981	50	40	IJGB	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1ccc2ccccc2c1	114391095	PIEQPGPQLWGUGH-UFFVCSGVSA-N	448.114	4.834	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408746098	QVASQWWMKYPHGQ-GDNBJRDFSA-N	443.297	4.577	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NCCCc1ccccc1	409239722	DMACHZQKMRSYDN-QGOAFFKASA-N	434.879	4.954	50	40	IJGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(Cl)cc2)nnc1-c1ccc(C)cc1	9042858	MHNZOHYIKDXGAG-HAHDFKILSA-N	427.961	4.559	50	40	IJGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1cccn1-c1ccc(Cl)cc1	30814035	WDVCHGFVEWKHMR-UUYOSTAYSA-N	426.954	4.983	50	40	IJGB	
O=C(COc1ccccc1)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	59445080	VMSOYHSHCWKXFE-ZVHZXABRSA-N	439.309	4.557	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	208203534	DNBYDSGLRNTUBM-KIQCMGJBSA-N	444.373	4.944	50	40	IJGB	
CO[C@@H](C(=O)N/N=C(\C)c1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccccc1	408719841	NALCUSDLAYXFAD-YABPMDJWSA-N	435.911	4.820	50	40	IJGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1)c1cccc(F)c1	408889168	AKZWUPDBALSRJO-WPWMEQJKSA-N	427.435	4.600	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OS(=O)(=O)c1ccccc1	409072253	MUDADSGOZYRZQM-NBVRZTHBSA-N	445.500	4.793	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@H]1c1ccccc1	409324917	WJFCCYYVUSBUBZ-INIZCTEOSA-N	432.332	4.704	50	40	IJGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1c(O)c(Br)cc2ccccc12	1435586	KJIMKVJXPUWCBL-DHRITJCHSA-N	449.304	4.990	50	40	IJGB	
COc1ccc(C(=O)[C@@H](Br)[C@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	1698969	CZIXWKTXPQIUKQ-CABCVRRESA-N	443.091	4.686	50	40	IJGB	
N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2cccc(Br)c2)cs1	1902890	OYCKGRFBZRDORA-JLHYYAGUSA-N	425.311	4.648	50	40	IJGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	14361319	PCKIBYQBDWKXRO-WGOQTCKBSA-N	436.895	4.844	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(OC)c1	35104069	ZTPYIUKOEPCXPE-MZJWZYIUSA-N	431.467	4.610	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1nc2ccc(F)cc2[nH]1	408566169	DVSLRLHYAPUDFL-OQFOIZHKSA-N	437.066	4.997	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccccc2F)cc1OC	409301429	FPSXKXIKGGJQIT-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNC3CCCCC3)c2C)cc1Br	409379836	ZZJGMNJHVWVCKS-DHRITJCHSA-N	445.405	4.537	50	40	IJGB	
COC(=O)c1sc(N/C=C(/C#N)c2nc(-c3cccs3)cs2)c(C(=O)OC)c1C	2237732	DHRSLUKUDMQIRS-FLIBITNWSA-N	445.547	4.791	50	40	IJGB	
CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2ccc(Br)s2)cc1	3175232	YJQKFYQHISYWNO-CNRHGSOZSA-N	439.375	4.997	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1cn(Cc3c(F)cccc3Cl)c3ccccc13)C(C#N)=C(N)O2	6177716	UTKPZFHSHKCUFH-NRFANRHFSA-N	433.874	4.732	50	40	IJGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(C)c1	8781315	BBHHNDARWNVENZ-WPWMEQJKSA-N	429.520	4.751	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1OCc1ccccc1	59447288	SQBOMHMKCLSZSI-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCCCCC3)cc2)S(C)(=O)=O)cc1C	59503572	QEGZKPQRSPBXQE-UHFFFAOYSA-N	441.597	4.710	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1cc(Cl)ccc1O	101509402	OOCNQPSEVJCKIY-JFLMPSFJSA-N	436.899	4.924	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccc(F)cc1	408590883	RCBMJBVQQYRXKE-VULFUBBASA-N	430.439	4.809	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)cc1F	408707289	IWIHYBZHOYYKRP-RPPGKUMJSA-N	442.853	4.759	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	409046092	IMWWNHSTAXKGJM-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OCC	409054629	UQZKUHPCPILZOP-SSDVNMTOSA-N	439.737	4.972	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1ccccc1F	409193057	AWGSUAKDHQWYSW-KQBIVOJMSA-N	431.467	4.561	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc(Cl)cc2)cc1	409219146	JKRIZTJWJOGAAL-MXAYSNPKSA-N	443.286	4.985	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Cl	409323850	PXKHQICYGOCQBC-QFEZKATASA-N	449.334	4.957	50	40	IJGB	
Cc1ccc(NC(=O)[C@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	34707223	LSMCOTFKLUNHAD-HVQRGMKJSA-N	441.443	4.733	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OC(=O)/C=C/c1ccccc1	408718593	GIWROVZCMJJBIL-FLOBXRKJSA-N	428.488	4.776	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)c(OC)c1	408733641	NPZLTQVODMFUDC-MZJWZYIUSA-N	429.520	4.605	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	408794334	RYDNJUMPOOKYIL-GZTJUZNOSA-N	439.309	4.714	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccccc1C#N	408800851	RKZQXQIAAUPJDZ-NMGOGNFDSA-N	429.520	4.748	50	40	IJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1c(C)n(Cc2ccccc2)c2ccccc12	723710	RFIHAOMPDZJOBC-OGLMXYFKSA-N	441.531	4.926	50	40	IJGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC(=O)c4ccccc4)cc2)C(C#N)=C(N)O3)cc1	985602	JAUXDYYJUFMACA-JOCHJYFZSA-N	448.482	4.823	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1)c1ccc(Cl)s1	12640232	DSXACJQJAYZSOK-SNZSZRNHSA-N	447.988	4.724	50	40	IJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1c(Br)c(C)n(-c2ccccc2)c1C	59104278	OBWJHGYBWVCTOM-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
Cc1ccc(C(=O)Oc2c(/C=N\NC(=O)c3ccc(Cl)cc3)cccc2[N+](=O)[O-])cc1	409219639	SQOOLVJZLUXEPC-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(Cl)cc3)=C2C#N)cc1	409310395	BAEXGIZVQYTCHS-QGZVFWFLSA-N	443.981	4.772	50	40	IJGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(CC=C)cc1OC	2187951	HJPQIVYHPNCHBC-WPWMEQJKSA-N	430.504	4.671	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCC)cc2)c(OCC)c1	2886899	YZEODDNOEXRLCO-LTRZOUJXSA-N	435.476	4.573	50	40	IJGB	
C/C(=N\NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccccc1O	12463591	CHCSZLLCQVEENA-YZSQISJMSA-N	426.476	4.515	50	40	IJGB	
C/C(=N\NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc(O)c1	12693318	SHDUSWALYYODQL-OVVQPSECSA-N	440.503	4.824	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2C)=C(C)N1	13055131	VZQNKBZUWQCAQW-QHCPKHFHSA-N	447.560	4.626	50	40	IJGB	
O=P(c1ccccc1)(c1ccc(Br)cc1)c1ccc(Br)cc1	59171331	URGNHDJCYWEAKG-UHFFFAOYSA-N	436.083	4.851	50	40	IJGB	in-vitro
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1c(OCC)ccc2ccccc12)c1ccccc1	408979707	OEIVDOSYQHCMHQ-KDPMPHTCSA-N	433.508	4.566	50	40	IJGB	
Cc1c(Br)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1Br	409387669	SDEKYSLZDDIFFX-NSIKDUERSA-N	437.135	4.616	50	40	IJGB	
CCOC(=O)[C@H](c1ccc(OC(C)C)cc1)N(C(=O)CCCl)c1ccccc1OC	2117722	IZXCYCXSXPAVTA-QFIPXVFZSA-N	433.932	4.749	50	40	IJGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1	18166830	BPHWCUFKKGOSKE-PCOHFRABSA-N	430.895	4.513	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(C)cc2)c1	33437095	XKBVUVMPDANZRY-OYKKKHCWSA-N	448.504	4.777	50	40	IJGB	
CN1/C(=C(/C#N)C(=O)COC(=O)CSc2ccccc2Cl)Sc2ccccc21	37077318	HGAFUXPOWVHYAW-DEDYPNTBSA-N	430.938	4.522	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(N2CCCC2)cc1	408676616	LKCNJUNXRHJEKT-ZVHZXABRSA-N	438.871	4.872	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1cccc2ccccc12	408735434	RTHKIEMALSXWPQ-DZSAKIAFSA-N	442.515	4.630	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2cc(Cl)ccc2C)cc1	408786230	HJSSQISQSLDABA-UHFFFAOYSA-N	447.988	4.588	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccc(Br)cc2)cc1	408998558	BIDULZTYMMOFNS-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c3ccccc32)cc1	409228770	DVYCAXBHGRGZPK-LGJNPRDNSA-N	443.576	4.647	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	409375396	KGNNETMLUGKPRP-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	8385849	OTFHCLBRXHXZGY-VULFUBBASA-N	446.894	4.944	50	40	IJGB	
C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC	408965921	XOXGETHJAUQLEZ-JFLMPSFJSA-N	430.426	4.609	50	40	IJGB	
O=C(/C=C/c1ccccc1)Oc1c(/C=N\NC(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-]	409219412	QEKKUDWASJHUDI-QLBSNTPRSA-N	449.850	4.631	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1056787	DXIQHBGVNAWHGG-QHCPKHFHSA-N	429.520	4.645	50	40	IJGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2c(OC)ccc4ccccc24)C(C#N)=C(N)O3)cc1	9210782	ZLRNUSWCVFPPNE-QFIPXVFZSA-N	438.487	4.855	50	40	IJGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccc1C(F)(F)F	13372111	OPIDCNBDAGJLOZ-LSFURLLWSA-N	431.277	4.851	50	40	IJGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1	32138930	PPLWGXIZXYNROV-UUYOSTAYSA-N	440.799	4.713	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1Cl	58914554	QTQQDRQWOJDNCR-RMORIDSASA-N	436.682	4.996	50	40	IJGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1	409066293	BMGRKVQCACLNRL-SAPNQHFASA-N	438.892	4.653	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)n1	409221264	NQZUJBKCUZXVKZ-YSURURNPSA-N	445.951	4.536	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F	804208	YVOGUEMMGNPJKV-HSZRJFAPSA-N	448.494	4.864	50	40	IJGB	
C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OC(C)C)c(C)c1	16700231	OSFCKVNQWWFKGK-QNGOZBTKSA-N	426.520	4.844	50	40	IJGB	
COc1cccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC(C)=O)c(OC)c3)n2)c1	31905999	ZYFFOEYVYOKKIY-IUXPMGMMSA-N	436.489	4.825	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)c1cccc(C)c1	408718603	HZUROGFTFOCSRQ-QQXSKIMKSA-N	432.476	4.873	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)cc1)C(=O)Nc1ccccc1Cl	409041566	KALQPPZYQPFCEJ-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3cc(Cl)ccc3C)=C2C#N)cc1	409311149	FOCCEKVDPBSMAE-KRWDZBQOSA-N	425.941	4.667	50	40	IJGB	
COc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1OC	2215679	UOVXWTMXUDIASH-LJQANCHMSA-N	435.549	4.540	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)NC2CCCCC2)ccc1OCCOc1ccccc1	4207661	QFIOKUSJTYOBFH-XIEYBQDHSA-N	425.529	4.509	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	20197606	YVMRLASGWSTDDD-PCLIKHOPSA-N	433.464	4.727	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408746680	VKEPJBHBQFTBAW-ZROIWOOFSA-N	445.700	4.669	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)cc2)cc1	408793343	DXHKDCQNDFLTFV-PXLXIMEGSA-N	426.472	4.906	50	40	IJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cc([N+](=O)[O-])ccc2O)cc1	408933959	BWGZCDBTOVZJHI-QQXSKIMKSA-N	440.459	4.830	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1OC	409124116	JFHQFEMUGKICEC-LSHDLFTRSA-N	427.353	4.784	50	40	IJGB	
N#CC1=C2SCN(c3ccc(F)cc3)CN2C(=O)C[C@@H]1c1ccc(Br)cc1	9693392	WNAIBYQCFFRWBC-QGZVFWFLSA-N	444.329	4.808	50	40	IJGB	
C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1cccc(Br)c1	13381840	OXKMNRCQAVFQJV-LSHDLFTRSA-N	443.128	4.890	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccc(N2CCCC2)cc1	408676973	ODQQIUMTDUMIBL-LFVJCYFKSA-N	437.341	4.604	50	40	IJGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	408820648	XRTUGBZOLUIOCM-YZSQISJMSA-N	447.332	4.743	50	40	IJGB	
O=C(Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21)Nc1ccc(F)cc1	409189458	GVJZHUQJFBQHAQ-UVHMKAGCSA-N	448.885	4.836	50	40	IJGB	
O=C(N/N=C\c1cc(Cl)ccc1OC(=O)c1ccco1)c1ccc(Br)cc1	409219076	MXWPNDWVXUWFKL-JJFYIABZSA-N	447.672	4.679	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409243463	WOEIINONRYCESY-JQFNYASXSA-N	441.325	4.807	50	40	IJGB	
CC(/C=N/NC(=O)c1ccn(Cc2ccc([N+](=O)[O-])cc2)n1)=C\c1ccc(C(C)C)cc1	1089136	WQHJGMTXJRPERK-AAODZYIFSA-N	431.496	4.782	50	40	IJGB	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2)cc1	3228504	JHOHTTJXZQKGJR-JWGRYVKWSA-N	440.499	4.837	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1	9057354	IWWUVWGDSRKPQO-XMHGGMMESA-N	427.416	4.668	50	40	IJGB	
CCC/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1ccccc1	9172066	YBYMHEMYASJGSB-NKFKGCMQSA-N	427.961	4.548	50	40	IJGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1C(=O)O	408897099	VQEREMSGADQSLE-SFQUDFHCSA-N	446.846	4.803	50	40	IJGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(Sc3nnnn3-c3ccccc3)o2)c1	408992867	TYLUZJKJRUEZOJ-GHRIWEEISA-N	442.504	4.569	50	40	IJGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccc(F)cc1	1889074	WJVVHEGFWMXKEO-JSIHEXFSSA-N	443.503	4.891	50	40	IJGB	
CCC[C@@H](Oc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	2674482	ZRAMBMVEKAWQLW-BYEYKRMRSA-N	446.503	4.612	50	40	IJGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(CC(C)C)CC(C)C	12463126	PXHWUCVCJLZLAN-DHRITJCHSA-N	440.544	4.551	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OCc1ccccc1	13858067	GYNINKFARNMMIZ-JVWAILMASA-N	432.520	4.810	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc([N+](=O)[O-])cc1	23723824	NLAWCQKMTFKORR-VDCHDYNVSA-N	449.507	4.784	50	40	IJGB	
CCOc1ccc(NC(=O)N/N=C\c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	59104551	HINAYMSKUSWNNX-MYYYXRDXSA-N	433.464	4.518	50	40	IJGB	
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2cccc(Br)c2)cs1	100935891	JPNNJRLQQNOBTB-UVTDQMKNSA-N	425.311	4.648	50	40	IJGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	207827581	ULEYLJQMABHMEV-XGHPXPSOSA-N	429.314	4.641	50	40	IJGB	
Cc1ccc(Cl)cc1Nc1ccc(Cl)cc1/C=N/NC(=O)C(=O)NC1CCCC1	408708564	QNFDQSPUAVGPAY-WYMPLXKRSA-N	433.339	4.554	50	40	IJGB	
C[C@]1(C(=O)N/N=C/c2ccc(Br)cc2)NC2(CCCCC2)Cc2ccccc21	408734032	DOHSYFXVAQQMIG-LWROZRRASA-N	440.385	4.663	50	40	IJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1C	408889966	LWCGBPHMACOENZ-RIYZIHGNSA-N	430.258	4.610	50	40	IJGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2c(c1)OCO2	408975300	LXYWARBHAAUGDH-RPPGKUMJSA-N	431.879	4.836	50	40	IJGB	
O=C(Cn1cc(/C=N/NC(=O)Nc2ccccc2)c2ccccc21)Nc1ccc(F)cc1	2228237	KKCKMYOZOMGUEJ-VULFUBBASA-N	429.455	4.575	50	40	IJGB	
CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	6190617	OWGCCIPYXOBCPU-QQNPRBCQSA-N	447.966	4.763	50	40	IJGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccco2)c(C)c1	16728804	OAIOADBELAZXSG-XMHGGMMESA-N	438.487	4.673	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)c2C)cc1	408529974	KPIPWHYWYAQRCD-XODNFHPESA-N	428.458	4.984	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)c(OC)c1	2242016	CUKRXLWKEURRGI-SFHVURJKSA-N	441.940	4.577	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCCO3)c2ccccc2n1Cc1ccccc1	2296393	HATYPMBEYVOTFQ-JVWAILMASA-N	425.488	4.533	50	40	IJGB	
COc1cc(/C=N\NC(C)=O)cc(Br)c1OCc1cccc2ccccc12	32109714	LGFIEJRREXQTMY-FMCGGJTJSA-N	427.298	4.660	50	40	IJGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	32522857	IGSHOLDAEKBVSP-ZVHZXABRSA-N	447.541	4.758	50	40	IJGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C\c3cccc(F)c3)nc3ccccc32)cc1	32576920	UXYGJSZXNDEBKS-WGARJPEWSA-N	432.524	4.775	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c1	107714744	IDDVJILPYAAHDS-UCQKPKSFSA-N	437.477	4.527	50	40	IJGB	
Cc1cc2c(cc1/C=N/NC(=O)CSc1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C	208217175	CCCPULDFMWWEES-CBFMJHRQSA-N	440.569	4.868	50	40	IJGB	
Cc1cccc(C)c1N1C[C@@H](C(=O)O[C@H](CCCl)C(=O)c2ccc(Cl)cc2)CC1=O	408648196	JTCGSVVDBYQILG-PKOBYXMFSA-N	448.346	4.733	50	40	IJGB	
CCOc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1	408707182	HWLIPEBAHRFATK-MFKUBSTISA-N	436.899	4.571	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC#N	408851582	LKHNKDCDUOFGSA-CFRMEGHHSA-N	438.281	4.590	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(OCC)c1OCC	408956938	ZHZJRQUESSIURI-JCMHNJIXSA-N	443.547	4.960	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)cc1	409226632	VLVDGJMBRNPNAR-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	409374947	BZUVUUDKHJNQDE-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	2326136	OHKVOWSLKADTAZ-CKVBZJJFSA-N	425.513	4.752	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Br	408741959	ONFOVTIGXCVIMF-RGVLZGJSSA-N	438.119	4.540	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc(Cl)c1OC(C)C	408953346	PZDZVUXQESVPOP-ZDLGFXPLSA-N	437.927	4.883	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC=C)c(OC)c2)cc1OCC	409326022	FQZUYAZVIOCHCT-MYYYXRDXSA-N	444.915	4.641	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1F	800755	QBHOSCZHLJUHLB-HSZRJFAPSA-N	434.467	4.618	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1Cl	6196167	KOLVYXYVELWLHI-OAQYLSRUSA-N	436.899	4.567	50	40	IJGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	13573467	NKWUYPDXGVNBSQ-KRWDZBQOSA-N	443.315	4.729	50	40	IJGB	
COc1ccc(/C=C/C(=O)Oc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)cc2)cc1	30817652	WFSPJUXPLFUPQO-DFKTXPBYSA-N	434.879	4.731	50	40	IJGB	
COc1cccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)c1	38682079	CWFHDRJQSJEPDX-QHCPKHFHSA-N	444.512	4.854	50	40	IJGB	
CCOP(=O)(OCC)Oc1ccccc1P(=O)(c1ccccc1)c1ccccc1	68592517	SORYQLUSMCONIS-UHFFFAOYSA-N	430.377	4.886	50	40	IJGB	biogenic
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl	408879989	IBMAMTDJENHENF-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408908335	RMJXIWALBIXBHV-MJHSOURCSA-N	439.515	4.801	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc4c(cc3C(C)=O)OCO4)n2)cc1OC	1296274	WEVMWUCXGLXFNN-XNTDXEJSSA-N	449.488	4.735	50	40	IJGB	
COc1ccc2c(c1)c(C(=O)N/N=C/c1ccc(OCc3ccccc3)cc1)c(C)n2C	2218227	JXTQBQODWMWQLS-JVWAILMASA-N	427.504	4.838	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1	8780966	HSAARHKTHWEWCV-FYJGNVAPSA-N	442.471	4.827	50	40	IJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	20100784	HKCVSXJTNAQHCG-YDZHTSKRSA-N	443.297	4.637	50	40	IJGB	
CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=N/NC(C)=O)cc1	26642357	JWMHJAWVHGBRBZ-QKIXXSFTSA-N	433.346	4.890	50	40	IJGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	100377376	MRCJFALIWMVDDH-ABZVSAKDSA-N	446.301	4.894	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccccc1C#N	408773223	UCLYVCGMNCKYGS-QRVIBDJDSA-N	429.520	4.696	50	40	IJGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	409186493	CSVASBFAIDGCRI-QFEZKATASA-N	442.500	4.989	50	40	IJGB	
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)N3CCC(C)CC3)N(c3ccccc3)C2=O)cc1	13595973	HTQCWUCIEFHFOG-YMGIJWJESA-N	445.588	4.680	50	40	IJGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2NC(=O)N(CCCl)N=O	118930579	RVNKEMCEVCMAJM-MWBQITDOSA-N	426.001	4.690	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1	208466773	FAKZHXLRFAACBA-MXAYSNPKSA-N	427.932	4.509	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)cc1Cl	408591453	TYIZTPIUYQSSTN-OPEKNORGSA-N	444.318	4.822	50	40	IJGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O3)cc1	987215	MXIMJAPMEKRHMK-QGZVFWFLSA-N	426.398	4.712	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)ccc1O	2090753	LCFJJXLTUMXPNS-JVWAILMASA-N	441.487	4.779	50	40	IJGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cccc(OC(=O)c2cccs2)c1	9554230	ADISNBCJXYRVGL-CVKSISIWSA-N	429.501	4.683	50	40	IJGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccc(Cl)c([N+](=O)[O-])c2)cc(OCC)c1OCC	13164773	REGMEHPJTHYPFF-YDZHTSKRSA-N	449.891	4.598	50	40	IJGB	
COc1ccccc1-n1c(C)nnc1SCC(=O)NN(c1ccccc1)c1ccccc1	36395615	DRMRTXUJMLVPTI-UHFFFAOYSA-N	445.548	4.546	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc2c(c1)OCO2	408744482	YDGILEATEFPGEF-NDENLUEZSA-N	442.471	4.939	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1cccc([N+](=O)[O-])c1	408776919	SEDXRACNJCAFIN-PCLIKHOPSA-N	427.464	4.557	50	40	IJGB	
O=C(N/N=C\c1ccccc1OCc1cccc2ccccc12)c1cc([N+](=O)[O-])ccc1O	408878226	YMQKONLLAHAOPC-YSMPRRRNSA-N	441.443	4.797	50	40	IJGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)NCCc1c[nH]c2ccccc12	408955190	TXZIMIPIZXRMPF-AUWJEWJLSA-N	444.716	4.555	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c(C)n1-c1ccc(Cl)cc1Cl	28217069	WXCPMGCAIGKPLB-YIQTUUEOSA-N	444.318	4.691	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	59447422	UJFYKIIHOIPQJU-OGLMXYFKSA-N	440.499	4.957	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)cc1	408677576	SBGYCRPOAXERCV-YZSQISJMSA-N	444.491	4.538	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cc(C)cc(CC)c3)c2C)cc1	409187475	QXZSQSGVGFUPFU-YUMHPJSZSA-N	433.552	4.893	50	40	IJGB	
CCOc1cc(NC(=O)c2ccccc2Cl)c(OCC)cc1NC(=O)CCCl	12641311	RKOKTXUNQKXVHA-UHFFFAOYSA-N	425.312	4.957	50	40	IJGB	
CN(CCP(=O)(c1ccccc1)c1ccccc1)Cc1ccccc1Br	103240677	JPPSZSHRXDHSMK-UHFFFAOYSA-N	428.310	4.895	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)c1	108978901	KHCIDBYMQWNOEF-CVKSISIWSA-N	429.476	4.625	50	40	IJGB	
COc1cc(/C=N\NC(=O)Nc2cccc(C)c2C)ccc1OCc1ccc(C(=O)O)cc1	408965908	JSZYUOOLTDKJGL-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCC(=O)Nc2ccccc2F)c1	409374817	AAIDCEVUZOCJMB-UYRXBGFRSA-N	429.451	4.697	50	40	IJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	15225895	SKSQGENFXYELMU-SSZFMOIBSA-N	435.325	4.851	50	40	IJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	71335755	AKLVORPIGMLFDG-LGJNPRDNSA-N	432.398	4.893	50	40	IJGB	
Br[C@H]1CC[C@H](Br)[C@@H](Br)CC[C@@H]1Br	135963317	RZLXIANUDLLFHN-XAMCCFCMSA-N	427.800	4.614	50	40	IJGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	408738246	SMCGJIRCEWPKBB-AFUMVMLFSA-N	441.300	4.860	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCC(=O)Nc2cccc(C)c2)c1	409047421	OOODTXNCBNOEHH-XSFVSMFZSA-N	441.487	4.567	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)NCc2ccccc2)c1	409262910	KRJQEKGRONGUAW-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2O)o1	10039989	ZKJRLCRLNNDIDR-WYMPLXKRSA-N	426.856	4.635	50	40	IJGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)NCc1ccccc1	408746192	CBWOUXUKSKXOKF-STZFKDTASA-N	436.471	4.821	50	40	IJGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1CSc1ccccn1	2740261	ZYBMZODAEOXDIY-QFIPXVFZSA-N	447.560	4.833	50	40	IJGB	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CC[C@H](C)C2	13126878	BOEADEMHABTDBG-BTIIEKFUSA-N	444.963	4.983	50	40	IJGB	
CC/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(O)cc1	13662100	QEUJTMYUARFVGZ-MEFGMAGPSA-N	444.560	4.813	50	40	IJGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	20100868	IBBRTAXULABBNJ-CVKSISIWSA-N	438.911	4.847	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	40888802	OOVUEBXLGUCRAF-YDZHTSKRSA-N	433.346	4.918	50	40	IJGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	59473748	IKOIMDLVASOLAZ-LFVJCYFKSA-N	435.505	4.806	50	40	IJGB	
CCOc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1	223152830	NBTDXWBQIOZBLL-MSXFZWOLSA-N	446.290	4.741	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)NNc3ccc(OCc4ccc(F)cc4)cc3)CC2=O)cc1C	408611876	XFYJZPBDTLVNAH-HXUWFJFHSA-N	447.510	4.518	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc1Br	408814643	ZMYBLKMJAYTRAF-DELQEKLWSA-N	442.151	4.598	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(Cl)cc1	409138445	BUXRDCRWMIDVEY-QHCPKHFHSA-N	449.938	4.658	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2)cc1C	409325649	ZHBGSEKQEAKSCA-GOSISDBHSA-N	425.941	4.667	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1	3279604	GONUBVJEXQSOLD-MTDXEUNCSA-N	426.520	4.601	50	40	IJGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3ccccc3O)ccc21	6135664	WELXBGLOQDWMGN-JVWAILMASA-N	428.492	4.655	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1	8812306	HOOJGFJUTVABEZ-WYMPLXKRSA-N	427.819	4.730	50	40	IJGB	
COc1ccccc1OCCCOc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	9659306	RHUYLJUOBOXQSF-YZSQISJMSA-N	438.911	4.960	50	40	IJGB	
O=C(N/N=C/c1cc(Cc2ccccc2Cl)cc(Br)c1O)c1ccncc1	32119106	YSLUOXKYWGDJPS-WYMPLXKRSA-N	444.716	4.558	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	33668078	UYPDTKNWLOBTTL-KEBDBYFISA-N	448.298	4.735	50	40	IJGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1)c1ccco1	58980198	QUKRADPRWGERKI-WPWMEQJKSA-N	439.471	4.875	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1OC	408567467	NOAYLOCCRWYVNV-ZVHZXABRSA-N	447.373	4.847	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1	408765293	LBLIYLURZABVQG-QGOAFFKASA-N	431.879	4.903	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc(I)c1	408773838	MNVKYALZKQJFJP-DJKKODMXSA-N	433.076	4.752	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OCC	408809111	HYYHITLSJRXDQZ-OQLLNIDSSA-N	445.302	4.958	50	40	IJGB	
COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408860780	DZQQMWQCJWTHNC-MHWRWJLKSA-N	428.319	4.666	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1OC	409313142	HQYLZWBYHBCMGV-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
CCOc1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)cc1	1741303	XRWUSUOKYGNNCY-CVEARBPZSA-N	427.136	4.924	50	40	IJGB	
N#C/C(C(=O)Nc1ccccc1)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	2326134	OHKVOWSLKADTAZ-JSIHEXFSSA-N	425.513	4.752	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(C(F)(F)F)c1	2797279	CISIHMRLMNYCAX-BRJLIKDPSA-N	430.386	4.785	50	40	IJGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC4CCCC4)cc2)C(C#N)=C(N)O3)cc1	8382678	DEMBCVDVKCLGMD-NRFANRHFSA-N	428.492	4.625	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1	9581104	MUMUEGSTOZCQCO-MZNJEOGPSA-N	432.483	4.738	50	40	IJGB	
Cc1ccccc1C(=O)Nc1ccc(C(=O)NNC(=O)/C=C/c2cccc3ccccc23)cc1	12039964	YUMGREDMZCYMBV-OBGWFSINSA-N	449.510	4.875	50	40	IJGB	
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	67192563	IMHZHMULCIMDNP-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
N#C/C(=C\c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552874	LIHPUEOWOQZZJP-FOWTUZBSSA-N	442.500	4.533	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	408818844	QTZCOHYMVFPMBL-UCQKPKSFSA-N	446.510	4.793	50	40	IJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408993433	CUXUPMXCVLYIJP-QKIXXSFTSA-N	446.960	4.869	50	40	IJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Br	409220697	DMYRVMJJQZWKDP-HKWRFOASSA-N	440.385	4.951	50	40	IJGB	
CCOc1c(I)cc(/C=C(/C#N)c2ccc(C#N)cc2)cc1OC	409367912	NQZOWWYYBFSCTL-PXNMLYILSA-N	430.245	4.634	50	40	IJGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)Nc1cccc(C(F)(F)F)c1	3199616	UYPBRAFVRNHITK-SECBINFHSA-N	436.217	4.632	50	40	IJGB	
COc1ccc(SCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	9259532	WMYCKNPJFOPXGU-SSDVNMTOSA-N	445.884	4.759	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1	33728487	ZAHTZVYXVITEAM-FOKLQQMPSA-N	449.444	4.840	50	40	IJGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1)C(C)(C)C	59382984	ZDMCHFXZPJQUHH-HKOYGPOVSA-N	429.586	4.544	50	40	IJGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(=O)Cc1cccs1)oc1ccccc12	100767004	XNGUSESWNIHMPA-AFUMVMLFSA-N	435.505	4.720	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Br)c2C)cc1	408751294	BAKWVXYYBIGEQS-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OC1CCCC1	8382719	SBPLBCBGMSXVGV-OAQYLSRUSA-N	446.482	4.764	50	40	IJGB	
N#C/C(=C\c1ccccc1OC(F)(F)F)S(=O)(=O)c1ccc(Br)cc1	14190505	JRUKGSKJGZGNRX-NTEUORMPSA-N	432.217	4.686	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCc1ccc(F)cc1	59101791	GMRNGGVIYDWXSQ-OGLMXYFKSA-N	443.478	4.968	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccccc2)c(C)c1	59383001	DPKYRKAGOVCRPE-UHFFFAOYSA-N	441.597	4.715	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1	408768602	YUIWLKQOEQEWNX-PGMHBOJBSA-N	444.510	4.616	50	40	IJGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(Br)c2)cc1	408786833	WLLWIQXSJPBTMU-VBKFSLOCSA-N	428.330	4.850	50	40	IJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	13586134	RBGBMIWVTWHUIC-VULFUBBASA-N	448.320	4.972	50	40	IJGB	
N#Cc1c(N2CCCCC2)nc2c3c(nc4c(c13)C[C@@H](CCl)O4)NC1(CCCCC1)N2	25462726	WIXHFASJNQSKKE-AWEZNQCLSA-N	438.963	4.532	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	209643438	FBSJMSJHFKRNGE-GZQZNAIASA-N	441.325	4.807	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br	408817932	YVZOZUXYDZDQQZ-JYRVWZFOSA-N	433.664	4.799	50	40	IJGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccccc2C(F)(F)F)c1C	408866785	IXGPBZFUAVDIJO-UVHMKAGCSA-N	439.441	4.833	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(Cl)c1OC(C)C	408962516	SQMFUPCQKVICHM-FOKLQQMPSA-N	445.859	4.944	50	40	IJGB	
O=C(N/N=C/c1ccc(I)o1)c1cc2c(ccc3ccccc32)o1	1010993	CQLKEAWENSYUGF-KEBDBYFISA-N	430.201	4.548	50	40	IJGB	
COc1cc(/C=C/C(=O)Cl)cc(I)c1OCc1ccccc1	226335113	ZXVHFPKFOBLFCD-BQYQJAHWSA-N	428.653	4.657	50	40	IJGB	
COc1ccccc1/C=N\NC(=O)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408728850	VNKHICSRXMQGQS-QDTIIGTASA-N	439.437	4.998	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)c(OC)c1	408973870	WCEVJYLQJGVWQU-AFPJDJCSSA-N	439.320	4.998	50	40	IJGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)c(C#N)c1C	409368122	SAKBACCCKNCTNP-BHGWPJFGSA-N	439.313	4.702	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1	1195704	SVVLFRFBFZWQRA-XDHOZWIPSA-N	430.464	4.947	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccncc2)cc1CSc1nc2ccccc2s1	2298787	MRXBGFJPRIUPTD-ZMOGYAJESA-N	434.546	4.756	50	40	IJGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	2769227	CMVLEWHVYAPXHT-PTGBLXJZSA-N	448.526	4.814	50	40	IJGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1OC	6500884	ZXLZRTFATZYVNX-HSZRJFAPSA-N	430.508	4.505	50	40	IJGB	
Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c1	59333352	CYHSBWKLLQFSAI-PLRJNAJWSA-N	437.543	4.830	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc(Br)cc1	59334268	JLBXSOHRSCWNTO-NVNXTCNLSA-N	449.732	4.685	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cccc4cccnc34)c2C)cc1	408760619	BVBNCFTUUNVSKN-LQKURTRISA-N	426.520	4.734	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OC	408796133	OFZLOJAWZIFBFQ-GZTJUZNOSA-N	439.309	4.578	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccc(C#N)cc2F)c2ccccc2n1Cc1ccccc1F	408967963	TUAMODSFHBGKTB-IPPBACCNSA-N	428.442	4.912	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCC)c(Br)c2)cc1OCC	409305688	WQEMQSLIBANKJC-UCQKPKSFSA-N	449.345	4.799	50	40	IJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(OC)c1	408743440	FVIXGZYNZARQHC-VBKFSLOCSA-N	428.330	4.850	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cc(Br)ccc2O)c(C)n1-c1cccc(Cl)c1	409066684	WOCYRMLEYXCUFG-KSEXSDGBSA-N	446.732	4.980	50	40	IJGB	
CCCCCCn1c(O)c(C(=O)N/N=C/c2cccc(Cl)c2)c(=O)c2ccccc21	2290450	SNPSZAJADPISHX-MFKUBSTISA-N	425.916	4.705	50	40	IJGB	
CC[C@@H](C)/C(C)=N/NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)c1	9443370	DUXBPCCFFRCYKO-IHYLXSPPSA-N	442.368	4.946	50	40	IJGB	
O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	9532315	YUBLVIWMBGUXML-UHFFFAOYSA-N	437.521	4.681	50	40	IJGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1	12556032	KYMXBBPVLOHMTG-XDHOZWIPSA-N	429.432	4.734	50	40	IJGB	
Cc1ccccc1-n1c(C)c(Br)c(/C=N/NC(=O)c2ccccc2O)c1C	20243884	XDGFXJMHUIPERM-FSJBWODESA-N	426.314	4.635	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)cc2)cc1	28214076	CMJDDNFVMFXDBP-DZTFFZQKSA-N	447.560	4.643	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1	33871370	LRORANUGERLQHG-AFUMVMLFSA-N	445.431	4.789	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	408711732	HYQWTWPFGARLLQ-LQKURTRISA-N	429.495	4.920	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc([N+](=O)[O-])cc2)c1	408852251	FLSSQSTZHZJHFJ-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408889478	HGMZPMXMQWYTSB-XLUWADSXSA-N	440.626	4.829	50	40	IJGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@@H]1c1cccs1	3668032	NYMWUDXTUVLQIB-FQEVSTJZSA-N	432.574	4.865	50	40	IJGB	
COCCOC(=O)/C(C#N)=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1	9261811	ZWNQMOFILOZNAE-DHZHZOJOSA-N	442.718	4.943	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Br)ccc1OCC#N	408989129	KDEXYIRJZVEFEQ-ZROIWOOFSA-N	430.689	4.859	50	40	IJGB	
COc1cccc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)c1OCc1ccc(C(=O)O)cc1	409190238	QJKKCWYUAVDHEX-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
COc1ccc(/C=N/NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1C	650412	XFBPQDQSZISDJW-OPEKNORGSA-N	448.470	4.915	50	40	IJGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	1427523	TXAIJMRGEUBSSM-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
O=C(N/N=C/c1cccc(OS(=O)(=O)c2ccccc2)c1)c1ccc(Cl)cc1Cl	408885801	AZFLUHLIZHCEST-YDZHTSKRSA-N	449.315	4.525	50	40	IJGB	
Cc1ccc(C)c(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)c1	409252092	SICGUDKLARNWMP-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccc(Cl)cc1Cl	12362501	GMTBLESPXNEBOK-LSHDLFTRSA-N	443.128	4.890	50	40	IJGB	
Cc1ccc(N(CC(=O)N/N=C2/CCCC[C@@H]2C)S(=O)(=O)c2ccccc2)cc1Cl	59472963	LIEVUWRKBIIYEL-JOGXUEJDSA-N	447.988	4.526	50	40	IJGB	
O=C(O)c1ccc(Cn2cc(/C=N/NC(=O)c3cccc4ccccc34)c3ccccc32)o1	408540747	BJXYRFLTRBLVTK-MZJWZYIUSA-N	437.455	4.898	50	40	IJGB	
CSc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3c(C)cccc3C)=C2C#N)cc1	409312929	AGCFWEVGEUVPGR-SFHVURJKSA-N	437.590	4.736	50	40	IJGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	1821025	ABDMTWKIQPIEBH-NTCAYCPXSA-N	429.457	4.680	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)n1-c1ccccc1Cl	2053936	FKVRFUBYFXCWGB-VULFUBBASA-N	436.943	4.960	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@@H]1c1cccs1	9292157	LKUCLKQKJJQKJG-FQEVSTJZSA-N	426.501	4.935	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc1OC	9693259	XSESQUNAKIICJB-HXUWFJFHSA-N	449.576	4.876	50	40	IJGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl	58914067	NSQQJTKWLFIHEA-MXAYSNPKSA-N	449.382	4.690	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cccc(Br)c3)c2C)cc1	408532709	QUWMXQIURIYVRW-DHRITJCHSA-N	439.357	4.727	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2)cc1	408942133	XPVZANLOMYSSLT-STZFKDTASA-N	446.528	4.925	50	40	IJGB	
COc1ccccc1/C=N/NC(=O)c1ccc(-c2csc(Nc3ccccc3)n2)cc1	409042190	WQRQPUYNZBZQQN-MFKUBSTISA-N	428.517	5.326	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(Br)cc1F	409195079	SWWPWETVYSAADG-YBEGLDIGSA-N	430.321	4.962	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	409267892	PRCGMQFOTZYRBT-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OCc1ccccc1	1297578	LHKMLUGTOBURFR-AFUMVMLFSA-N	447.516	4.658	50	40	IJGB	
Cc1ccn2c(C(=O)N/N=C/c3nn(-c4ccccc4)cc3-c3ccccc3)c(C)nc2c1	8426329	LZVGBLLHGSFNSG-JVWAILMASA-N	434.503	4.568	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc(Cl)cc(Br)c1O	9905937	ULOQVTQWIPLBRK-ZVBGSRNCSA-N	434.677	4.535	50	40	IJGB	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)N/N=C/c3c[nH]nc3-c3ccsc3)sc2n1	15084512	FCTXTZDAOHXALG-BHGWPJFGSA-N	446.561	4.919	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1[N+](=O)[O-]	59473419	YSACHFVULTXIOE-ZVHZXABRSA-N	435.505	4.801	50	40	IJGB	
O=C(C[P@@](=O)(c1ccccc1)c1ccccc1OCc1ccccc1)N1CCCCC1	2770388	MWBQGQIJCOEUAM-WJOKGBTCSA-N	433.488	4.592	50	40	IJGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2	14920573	CYMVYVSGEFUPDJ-YDZHTSKRSA-N	435.749	4.901	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)cc2)cc1	38536886	LTHDIUBJMWFOSZ-OMNRFPDCSA-N	431.536	4.614	50	40	IJGB	
Cn1cccc1P(=NC(=S)NCc1ccccc1)(c1ccccc1)c1ccccc1	102134558	YJNGQQDDVSKLLO-UHFFFAOYSA-N	429.529	4.577	50	40	IJGB	
O=C(N/N=C1\CC(=O)c2ccccc21)c1ccc(CSc2nc3ccccc3o2)cc1	105816655	GPDHLJYHZQAGNV-LHLOQNFPSA-N	427.485	4.841	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	209643477	FBSJMSJHFKRNGE-JQFNYASXSA-N	441.325	4.807	50	40	IJGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)cc1	408592397	XZMHIIUXQDUVAZ-CVKSISIWSA-N	437.927	4.617	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OCc2ccccc2F)c1	408897114	VTLGFZAMTSBENT-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(OCC(=O)O)c(Br)c1)c1ccccc1	409071709	RWQVKRGVXSWNGO-AWNIVKPZSA-N	437.087	4.739	50	40	IJGB	
N#Cc1cccc(COc2ccccc2/C=N/NC(=O)Cc2ccc(Br)cc2)c1	9204159	AWNUNDXHDYCXPZ-CVKSISIWSA-N	448.320	4.593	50	40	IJGB	
Cc1ccc(-n2c(N(C)C)nc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2Cl)cc1	12521735	XRXQZZMFLQKTIZ-GMYFBSLISA-N	433.943	4.685	50	40	IJGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	13811438	HBXIKIIGUXLJAH-NDENLUEZSA-N	434.455	4.508	50	40	IJGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	83308159	WSTXCMOZONEAFQ-RMORIDSASA-N	436.682	4.996	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccc(OC)cc3OC)c2C)cc1	408875241	HWFFEEBHGGHBNN-OEAKJJBVSA-N	443.547	4.897	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)o1	409172776	LCASGEUCHDVVQQ-AFUMVMLFSA-N	429.432	4.846	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1	409326094	GQUBMPFKIAQOND-UCQKPKSFSA-N	447.329	4.575	50	40	IJGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccc(F)cc1Cl	650714	WLQHEXOSMKELMG-NRFANRHFSA-N	438.890	4.925	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCC2)c2ccc(Cl)cc2C)cc1	20060043	UZXMOVDUITYERC-UHFFFAOYSA-N	447.988	4.588	50	40	IJGB	
O=C(NNC(=O)c1cc2c(s1)CCCC2)N[C@H](c1ccc(F)cc1)c1cccs1	40068907	KUZQIANFHSIICX-LJQANCHMSA-N	429.542	4.561	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1cccc(Cl)c1	58985858	WFBFWWSXKSNSTR-OAQYLSRUSA-N	436.899	4.567	50	40	IJGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	59281648	VCSIATANMIPUJO-XDHOZWIPSA-N	427.416	4.668	50	40	IJGB	
COC(=O)COc1ccc(Br)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	408542665	KRCURSGIYJVJHS-OVCLIPMQSA-N	440.297	4.558	50	40	IJGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1	408569769	PVGOVPVJFBJYNV-BOPFTXTBSA-N	442.450	4.792	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C	408646818	IVKWLWZGCGUCHX-YLJYHZDGSA-N	448.346	4.733	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1	408964349	QYKJDBOAGSLRQQ-UVHMKAGCSA-N	443.425	4.663	50	40	IJGB	
N#C[C@H](C(=O)N/N=C/c1ccc(OCCOc2ccc(Cl)cc2)cc1)c1ccccc1	409200321	RHNIABGDGUKOPM-PKNRUHJYSA-N	433.895	4.555	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Br)cc3)n2)cc1	1086907	VJAHZZDPTBERAC-YDZHTSKRSA-N	425.330	4.581	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1ccc(Cl)cc1Cl	28217071	WXCPMGCAIGKPLB-ZPBGBCLFSA-N	444.318	4.691	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	39884726	VQYVYILRKZYBMO-RVDMUPIBSA-N	432.392	4.926	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1	107605227	AKHPZGKRSFKXMH-ZMFRSBBQSA-N	439.874	4.569	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc(N2CCCC2)cc1	408678443	ZDRWCBMHTAVQTH-JVWAILMASA-N	426.442	4.860	50	40	IJGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1Cl	409320141	BXIANCJFALUZIJ-YUMHPJSZSA-N	448.906	4.704	50	40	IJGB	
CC1CCN(C(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)CC1	2327451	HZNQHBATLYLXQQ-CKVBZJJFSA-N	449.551	4.510	50	40	IJGB	
C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1ccc2c(c1)Nc1ccccc1S2	12563959	XVFPFRFTRBXORV-BRJLIKDPSA-N	431.443	4.651	50	40	IJGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)CCC(=O)O)c1	19639434	CGXGCSXJNUALJP-WYMPLXKRSA-N	443.912	4.512	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	30817698	ARMAQLPYXAQNTH-MXAYSNPKSA-N	443.286	4.985	50	40	IJGB	
BrC(Br)c1nn(-c2ccccc2)c2nnc(-c3ccccc3)nc12	68602641	NCYSVTBOBHTZOC-UHFFFAOYSA-N	445.118	4.666	50	40	IJGB	biogenic
C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccccc1Cl	100059351	NPWNZSWFOIKUGY-WPWMEQJKSA-N	435.911	4.907	50	40	IJGB	
COc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OCc1ccccc1Cl	408529772	JYJFEXSIYJPJTD-MZJWZYIUSA-N	437.927	4.798	50	40	IJGB	
Cc1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c(C)n1-c1ccc(Cl)c(Cl)c1	408588777	JPTZZNBHXARANV-OPEKNORGSA-N	444.318	4.822	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)c1	408600077	SYWKMOBEQHCDQI-JVWAILMASA-N	431.536	4.942	50	40	IJGB	
COc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	408746447	SSLZTZOUSOIESK-WDZFZDKYSA-N	436.649	4.565	50	40	IJGB	
O=C(COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1)Nc1ccc(Cl)cc1	408752062	FSUWSJBJLCZTGS-DHRITJCHSA-N	442.302	4.775	50	40	IJGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(S(N)(=O)=O)cc3)n2)cc1	2280071	KMYJJMRPVUCZOH-QGOAFFKASA-N	438.578	4.633	50	40	IJGB	
N#CC1=C(N)N(c2ccc([N+](=O)[O-])cc2Cl)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1	8426422	YQERRPXATONXBC-GOSISDBHSA-N	426.885	4.614	50	40	IJGB	
COc1ccc(-c2cn3cc(C(=O)N/N=C/c4ccccc4Br)ccc3n2)cc1	8855365	OOAZLVXITKOCTK-WYMPLXKRSA-N	449.308	4.536	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccccc3C)CC(=O)N2)cc1Cl	9110283	IQBSLSRPNSKUOB-QGZVFWFLSA-N	425.941	4.667	50	40	IJGB	
Cc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1	13174311	CERLLHAQDHXPTC-NRFANRHFSA-N	433.533	4.697	50	40	IJGB	
Cn1ccnc1COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	40139629	FRJAOHWLKVUQRP-OVCLIPMQSA-N	427.291	4.852	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc(Cl)c1OC	58657462	IVEQAPWEYOUHCN-UFFVCSGVSA-N	435.958	4.599	50	40	IJGB	
CC(C)(C)C1CCC(=NNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1	59472805	LDBVQUXDUFYVHU-UHFFFAOYSA-N	441.597	4.590	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2ccccc2F)cc1C	408706587	BZYNTBNJZICJOR-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccccc4)n3)cc2)cc1	409042484	XPBHIHBLOPZOQH-MFKUBSTISA-N	428.517	5.326	50	40	IJGB	
Cc1ccccc1/C=N/NC(=O)c1ccc(NC(=O)c2ccc(Br)cc2)cc1	2754103	FZUBFQQQMUVXPE-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)cc(C)c1	9762165	DSMZCWGLDMOGRQ-KGENOOAVSA-N	446.503	4.586	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc([N+](=O)[O-])cc3C)o2)cc1	13387950	MMUWQBKGDCDBHG-QGOAFFKASA-N	445.431	4.886	50	40	IJGB	
CCOC(=O)c1sc(N/C=C(\C#N)c2nc3ccccc3o2)c(C(=O)OCC)c1C	16682996	CXBHCRVSWZCWOU-ACCUITESSA-N	425.466	4.528	50	40	IJGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(-c2ccccc2Br)c1C)c1ccccc1	20241308	CIPBPVNTZAQHEA-GQBLCDNYSA-N	440.341	4.694	50	40	IJGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)cc1Cl	30814065	QXZJLSALACAOKY-RMORIDSASA-N	431.235	4.853	50	40	IJGB	
N#CC1=CCN([C@@H](C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c2ccccc2)CC1	95452644	XLJMZHNDYZKBKT-OAQYLSRUSA-N	445.504	4.554	50	40	IJGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc2[C@H](C)CC1(C)C	208316688	DVTVVBTZFIUJQL-YMKHCOABSA-N	438.528	4.544	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)c(C)c1	408745697	OIRNEYYRPLLUTD-STZFKDTASA-N	443.503	4.743	50	40	IJGB	
Cc1cccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c1	409219103	IYFZVKJDBZKFTC-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c(OC(C)C)c1	409357991	JIYYSMSHVDUILI-WYMPLXKRSA-N	448.361	4.586	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1OCc1ccccc1	10060106	CUIKPHSBJCZYHG-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1	10475976	YCKRSTLJEWKLQB-JVWAILMASA-N	436.483	4.505	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)o1	408946436	ADOMUVUBLSKIGW-QGOAFFKASA-N	440.459	4.910	50	40	IJGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)NCc1ccccc1	409225111	OZQZGXBYOANVEF-MOSHPQCFSA-N	445.906	4.581	50	40	IJGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1C	12555907	YUFWWFZHWVGDJM-XNTDXEJSSA-N	442.269	4.776	50	40	IJGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC	33618864	ADHQQTLWNSSTSG-MLJKTZRHSA-N	445.313	4.886	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OCC(=O)Nc2ccc(F)cc2)cc1	35315083	IHFASGCMBKYMOP-ZMFRSBBQSA-N	439.874	4.569	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)NC2CCCCC2)cc1)C(=O)Nc1cccc(Cl)c1	408796124	NHFHUUZJCAJRHZ-QGOAFFKASA-N	437.927	4.713	50	40	IJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Br	408807187	KNWLCISYWXZXGS-LFIBNONCSA-N	443.297	4.570	50	40	IJGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1	409260264	NMDDFXQSZCUVGH-AQTBWJFISA-N	431.879	4.903	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)ccc1OC(=O)c1cccs1	6906886	IRUMVOJBGYQWIT-AFUMVMLFSA-N	446.484	4.599	50	40	IJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OCC)cc1OC	12124807	UGXCNGXNEBVGES-XDJHFCHBSA-N	436.508	4.987	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1	408790956	ZRGARWJEMPDDOV-SFQUDFHCSA-N	445.431	4.886	50	40	IJGB	
N#C/C(=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1	408900118	SUJGEICCAMNQSW-SAPNQHFASA-N	438.892	4.653	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3Cl)c2C)c(C)c1	408936186	OPUULZANBMATJL-MXAYSNPKSA-N	438.915	4.998	50	40	IJGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	409047068	MOACJHUSXMCJOK-OQLLNIDSSA-N	431.275	4.890	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)o1	409392776	RTEMHKPNYAOEDH-VULFUBBASA-N	428.448	4.879	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	10475780	OCIBNHRUSYZZEA-OEAKJJBVSA-N	427.298	4.801	50	40	IJGB	
O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)c1	107721629	YVMMAVRADJLUNQ-JJFYIABZSA-N	435.417	4.532	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C(=O)O)ccc3C)c2C)cc1	408744627	GGFGBTHUTUNFLF-NDENLUEZSA-N	429.476	4.655	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4ccc(C)cn34)c2C)cc1	408881742	KGXYUQRIGJWWMD-VULFUBBASA-N	429.524	4.521	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963883	DNEOAVJXGIODQQ-DHRITJCHSA-N	433.395	4.823	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(OC)cc3)C3=C2C(=O)CC(C)(C)C3)cc1	1056788	DXIQHBGVNAWHGG-HSZRJFAPSA-N	429.520	4.645	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408746215	CIADGTDXXJANMW-ODLFYWEKSA-N	434.883	4.879	50	40	IJGB	
Cn1c(SCC(=O)N/N=C/c2cccc3ccccc23)nnc1-c1ccc(Cl)cc1	2313777	MWDKHYLHZQXTAI-ZMOGYAJESA-N	435.940	4.531	50	40	IJGB	
CCCCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OC	5918661	QJXASNXCRFRUQE-FQEVSTJZSA-N	434.471	4.621	50	40	IJGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)c1OC	6283020	DXEZCZUNTJPLCE-INIZCTEOSA-N	443.290	4.619	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2ccccc2C(F)(F)F)NC(=O)C[C@@H]1c1ccc(F)cc1	12276762	MEEJUKUADHOEQI-CQSZACIVSA-N	449.429	4.555	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc([N+](=O)[O-])cc1	16214672	SVMXPFPCLZUMMA-CPNJWEJPSA-N	435.480	4.538	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc(C(F)(F)F)c3)o2)cc1[N+](=O)[O-]	408528533	HUYXCZWKIIOYFJ-KBKYJPHKSA-N	446.385	4.744	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCOC)cc(Cl)c1OCc1ccc(Cl)cc1	408814028	POHRDXFVAGADCQ-LICLKQGHSA-N	449.334	4.641	50	40	IJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	408852338	JSDBVZYIAWBWRL-PEZBUJJGSA-N	435.325	4.851	50	40	IJGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)cc12	3217832	KLYLDGNTLZMTTD-UHFFFAOYSA-N	425.901	4.515	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(F)cc4)c32)ccc1OC1CCCC1	8382718	SBPLBCBGMSXVGV-NRFANRHFSA-N	446.482	4.764	50	40	IJGB	
CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2sc(-c3ccccc3)cc2C(=O)OC)c1C	17098963	AYUJDNSOQQXWPS-GZTJUZNOSA-N	434.521	4.581	50	40	IJGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C)cc1)CC2	33775621	DHTDSQDAYPQERK-YDHWRROCSA-N	437.499	4.512	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3)c2)cc1C	409007333	NWJZAGOTVUYQAJ-STZFKDTASA-N	425.488	4.867	50	40	IJGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccccc1C	409262721	GPNJPLRRHFBQTQ-DEDYPNTBSA-N	443.459	4.994	50	40	IJGB	
CCOC(=O)c1ccc(/N=C/c2cc3c(cc2O)OC(N)=C(C#N)[C@@H]3c2ccccc2)cc1	2255766	ZAYFZQOCNPVBDL-PKEXHZLISA-N	439.471	4.538	50	40	IJGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2cccc(OC4CCCC4)c2)C(C#N)=C(N)O3)cc1	8382689	ILLNZVATNDCQMG-OAQYLSRUSA-N	428.492	4.625	50	40	IJGB	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC(=O)Cc3c[nH]c4ccccc34)cc2)cc1	15982114	XDROMNIGLIXAOQ-UHFFFAOYSA-N	447.560	4.810	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)COc1ccc(Cl)cc1Cl	16136924	VQPQHTUCIGIHFU-FOKLQQMPSA-N	428.703	4.547	50	40	IJGB	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1[N+](=O)[O-]	33717448	RSOJREVOIYBAPX-PGMHBOJBSA-N	426.476	4.629	50	40	IJGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3cccc(C)c3)cc2)cc1	83301767	FEKFWOVNDGAJRF-SECKTWPTSA-N	446.547	4.937	50	40	IJGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2ccccc2F)cc1OC	108162592	IEOHJDUIPDMEKC-ZROIWOOFSA-N	433.220	4.515	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(N)=S)cc(Br)c1OCc1ccccc1F	408541947	FZTYKEBUTJMRIN-AUWJEWJLSA-N	435.318	4.759	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	409002992	XRZYFBYPBPKXQF-YSMPRRRNSA-N	442.475	4.928	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OCC	409319503	HGXWMYJMNLQRDC-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(Cl)cc3)c2[C@H]1c1ccc(OC(F)(F)F)cc1	664574	CUNDHBDKSCRHIV-HNNXBMFYSA-N	432.789	4.847	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCCCOc1ccc(Cl)cc1	8722186	HWAGWXMZSHIQKV-YDZHTSKRSA-N	441.311	4.930	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	8812575	MDBOVWCLGGMFKM-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc(OCCC(C)(C)OC)cc2s1	20132766	KWZFQFXDYRLSJZ-CYBMUJFWSA-N	429.380	4.992	50	40	IJGB	
Cc1c(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc2n1Cc1ccc(Cl)cc1	32109612	VDCQQTAPNQSDBC-FNGUVFISSA-N	433.939	4.854	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3ccc(Br)cc3)c2C)c1	408691521	BVDDOZYCYDGWAP-DHRITJCHSA-N	439.357	4.727	50	40	IJGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1	409245659	XEVCKOZVGVTKHR-CFRMEGHHSA-N	428.305	4.689	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OCC)c1	957991	SFBABVBOIISFGV-MHWRWJLKSA-N	444.281	4.537	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	3089504	LDBBNCWIRJFNDZ-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4cccnc34)c2C)c1	13801988	IWMJFDFRVMQHEX-MBTHVWNTSA-N	426.520	4.788	50	40	IJGB	
O=C(N/N=C/c1ccccc1OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1	98005160	PXFAAAHXRDHBHF-NHFJDJAPSA-N	440.439	4.758	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(I)cc1	408773607	RUOAXXDYEDFACT-DJKKODMXSA-N	433.076	4.752	50	40	IJGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1O	408819990	SKJMFEZXYODONY-PKAZHMFMSA-N	425.488	4.931	50	40	IJGB	
CCCc1n[nH]c2c1[C@H](c1ccc(OCc3ccccc3F)c(OCC)c1)C(C#N)=C(N)O2	622959	UMHJNGZNUDSWTR-JOCHJYFZSA-N	448.498	4.697	50	40	IJGB	
C/C(=N/NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1	8780817	IVVCQKDPIMVTCY-ULJHMMPZSA-N	428.374	4.510	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(C)=O	34983122	XZMQBZXDBWHOMY-SXGWCWSVSA-N	443.297	4.627	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(F)cc1	409196964	TZRJKGKCYMASLM-WJRZFDRGSA-N	431.467	4.561	50	40	IJGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1	409223439	ZMELPSGGNYKREJ-QHSFOXILSA-N	441.531	4.974	50	40	IJGB	
CCOc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)ccc1O	2437955	ZCJBDEQKEOUWBR-QGZVFWFLSA-N	441.940	4.664	50	40	IJGB	
Cc1noc(C)c1C(=O)Nc1ccccc1C(=O)N(NC(=O)Nc1ccccc1)C(C)(C)C	4109978	UUYNFVWCJZYDQN-UHFFFAOYSA-N	449.511	4.521	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)o2)cc1	8843135	LBNLTFARMYZALS-SCELWYEFSA-N	436.533	4.895	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1cc(Cl)cc(Cl)c1	28217084	MGEIAOFOZDQJSC-ZPBGBCLFSA-N	444.318	4.691	50	40	IJGB	
O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N/N=C\c1ccccc1	32576873	SHHVCJPIWKSIEM-QFEZKATASA-N	434.952	4.980	50	40	IJGB	
Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)ccc12	100746575	RPNVJAVUBZRVPW-XNTDXEJSSA-N	429.457	4.930	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C	408745107	PKKSRNNOEGQNCY-UNOMPAQXSA-N	430.464	4.865	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3Cl)n2)cc1	2738313	OZNUTNIVEIUINC-AFUMVMLFSA-N	444.366	4.848	50	40	IJGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	8386444	NXRFPWMCEOICPQ-PCLIKHOPSA-N	426.513	4.684	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccc(C)cc2)c2ccccc12	408567347	LZKAGTBUXDSVKI-VULFUBBASA-N	442.475	4.679	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1I	408570144	RYUFLSDXBVNVII-JYRVWZFOSA-N	445.235	4.936	50	40	IJGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)NC[C@H]1CCCO1	408818974	ZMHHGQOEOXXCSU-OTJDAXFFSA-N	431.319	4.775	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)o1	408924253	MHLMOCTWDCDONK-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408961273	MCIAFYDGEINAFE-AFUMVMLFSA-N	429.432	4.992	50	40	IJGB	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/c1cccc2ccccc12	409265906	UXNVDIHLMQGWQT-BUVRLJJBSA-N	438.325	4.861	50	40	IJGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1	2200071	UWWZZOIIHIKQAU-DTQAZKPQSA-N	435.505	4.981	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3C)CC(=O)N2)cc1Cl	9110282	IQBSLSRPNSKUOB-KRWDZBQOSA-N	425.941	4.667	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC(C)=O	34983120	XZMQBZXDBWHOMY-CXUHLZMHSA-N	443.297	4.627	50	40	IJGB	
CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1	38650321	JZUHCUIUNBIQQM-XMMPIXPASA-N	442.471	4.531	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)cc1C	59676747	KRGQLKWFDNRARI-BWAHOGKJSA-N	438.575	4.967	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1Cl	408747740	SGTWPEUDPCBEJU-NDENLUEZSA-N	447.922	4.758	50	40	IJGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2C)cc1	409004464	AEEJYZUXRFGNEX-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC=C)c(OCC)c2)cc1OC	409323726	PNYZTPFYKLLEIX-MYYYXRDXSA-N	444.915	4.641	50	40	IJGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c1	3082743	TVOSJURIULOKMI-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(=O)CSc1nc2ccccc2s1	16157929	XNLUFWATXBTYPT-JJFYIABZSA-N	441.969	4.686	50	40	IJGB	
COc1ccc(CN2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	20348111	VDZYUFNKTKIBFL-LJQANCHMSA-N	425.941	4.564	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1ccncc1	35169396	PDMUPYFZDIXGNC-LDADJPATSA-N	427.533	4.847	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	58627233	OOIFAJWNVZVUQB-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc(N2CCCC2)cc1	408677988	WRVPDVSTHXEVSP-LFVJCYFKSA-N	437.341	4.604	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c1	408708238	OUEGTRUDDVHAGF-LFUFGAAPSA-N	440.975	4.845	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1	408973703	PJNXISFFZMHYAG-XOTBCMANSA-N	443.572	4.576	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OS(=O)(=O)c3ccccc3)c2)c(C)c1	409072837	LJJWTUVLOFUMQR-ZHZULCJRSA-N	432.501	4.617	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)cc1	8860749	CIKFKJJXYYFQPZ-HKWRFOASSA-N	432.501	4.617	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1cccc(NC(=O)c2cccs2)c1	17097804	PAEWQLQKZWDRIM-SRZZPIQSSA-N	432.299	4.510	50	40	IJGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1	408855089	BWAMQJFIFJGKRC-QQXSKIMKSA-N	440.459	4.830	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1NC(=O)c1ccccc1	409203022	USQIBOGPSWREFM-WYMPLXKRSA-N	429.307	4.560	50	40	IJGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1F	3057065	ATWBIYFAUZRIGT-HPNDGRJYSA-N	448.885	4.861	50	40	IJGB	
O=C(Cc1cccs1)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	9948670	LKOSXKBVTOVOOV-SOYKGTTHSA-N	425.513	4.511	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1C(=O)O	13345112	COVGLVNAHUPGAM-SDNWHVSQSA-N	437.249	4.953	50	40	IJGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc(Br)ccc1O	14408733	KPERVYFGRMXPFO-FSJBWODESA-N	427.298	4.859	50	40	IJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N\NC(=O)CSc1nc2ccccc2s1	33788184	CURHRQUCCTXVAB-FMCGGJTJSA-N	428.558	4.586	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)COc2cccc3cccnc23)cc(Cl)c1OC(C)C	137675169	DCJSSHUDGMSPGW-ZMFRSBBQSA-N	441.915	4.603	50	40	IJGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1	408967516	QQKGJQBUYPPKAY-YSMPRRRNSA-N	448.523	4.829	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)ccc1OCC(=O)OCC	408984433	QXSINWUSZFORFS-UYRXBGFRSA-N	438.911	4.865	50	40	IJGB	
C/C(=N/NC(=O)c1ccc(N(C)C)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	695834	IXOLIFMUYKFGIG-YUMHPJSZSA-N	434.927	4.812	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1Cl	8383677	HPLIZCGXSVGHBC-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	16216779	MDEOLWJYGDZZRY-GDNBJRDFSA-N	437.839	4.740	50	40	IJGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc2Br)c1	59334012	OEGQVDHLYQIEHO-PXNMLYILSA-N	433.733	4.985	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC	108093992	QCFOBIKCRRXUII-CVKSISIWSA-N	436.895	4.676	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223173149	NIZDKUKESGIPFL-STZFKDTASA-N	443.503	4.825	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cccn1-c1ccccc1F	408566643	AVEZHIRXIQPBBF-ZVHZXABRSA-N	441.553	4.624	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc(F)cc1	673615	YAFKXLPDZNMZJI-HSZRJFAPSA-N	448.494	4.864	50	40	IJGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2cc(Cl)cc(Cl)c2O)c(Br)c1	15938632	PSCAWQIDCQEDCW-YXSASFKJSA-N	446.128	4.607	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(NC(C)=O)cc3)c2C)cc1	16157369	MPPVBQQNCDWNPU-QNGOZBTKSA-N	442.519	4.997	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)o1	408897097	VPLRQJDGQHRXEK-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc([N+](=O)[O-])cc1	409000539	YPRIPIHBQKVTCR-RGVLZGJSSA-N	446.282	4.865	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409006357	NGWGWFWZPVIQIL-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc(Br)ccc3O)c2C)c1	409066596	WGVOIMFILOVXAE-FMCGGJTJSA-N	426.314	4.635	50	40	IJGB	
O=C(CSCc1c(Cl)cccc1Cl)NN=C1CCN(Cc2ccccc2)CC1	409346693	ODWOQJLJCPONIW-UHFFFAOYSA-N	436.408	4.995	50	40	IJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(Br)cc1	409353135	YMMKCUOJPDGCSC-LSHDLFTRSA-N	447.672	4.825	50	40	IJGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccc(C)cc2)c1	3260814	JBNVHLUMNVFIPF-KGENOOAVSA-N	426.472	4.906	50	40	IJGB	
O=C(CCCC(=O)N/N=C\c1cccc2ccccc12)N/N=C\c1cccc2ccccc12	4962722	URXHLXBUXFBJPW-IFEPHKIBSA-N	436.515	4.764	50	40	IJGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CCC3)cc1	20347490	YBKCRGIVIGQICX-HSZRJFAPSA-N	447.535	4.935	50	40	IJGB	
CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccc(C)cc1	217712439	KYBGQKNTNTXEPV-UHFFFAOYSA-N	430.669	4.956	50	40	IJGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408908336	RMJXIWALBIXBHV-QMFOPCRCSA-N	439.515	4.801	50	40	IJGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCC	409072336	RSFYVYPPSWKGEZ-CPNJWEJPSA-N	433.464	4.832	50	40	IJGB	
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)cc1	409197666	LPWBHZAICDVAFE-PCLIKHOPSA-N	437.565	4.805	50	40	IJGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1	409266397	WMYKWTZTIVIYPT-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCCC)c(OCC)c2)cc1OC	409320614	DOAXBXCWIFWJSI-MYYYXRDXSA-N	446.931	4.865	50	40	IJGB	
CCn1c(NNC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccccc2c1=O	11159226	BWSNZUGTRSUHLN-UHFFFAOYSA-N	443.290	4.740	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1cc(Br)cs1	408569536	OMPOVJHKLRFYHR-QGMBQPNBSA-N	443.413	4.518	50	40	IJGB	
COc1ccc2cc(/C=N/NC(=O)CSCc3ccc(Cl)cc3)c(Cl)nc2c1	408839640	BMIMCNZDEBWYIH-AUEPDCJTSA-N	434.348	4.934	50	40	IJGB	
CCOC(=O)C[C@@H](c1ccc(OC)c(OC)c1)P(=O)(c1ccccc1)c1ccccc1	3144992	GCUPWNQARGIIAB-DEOSSOPVSA-N	438.460	4.712	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)cc1	408544096	RUNFMWKXOYKCGV-ATVHPVEESA-N	425.444	4.835	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c1C	409252615	SXIFYLNKVZSTDH-IQJJTXKVSA-N	441.531	4.974	50	40	IJGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)cc21	208436582	FXIVWXJPDJHQQC-VUTHCHCSSA-N	439.559	4.705	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC	408723617	YCXWQJCWMCARMK-ZVHZXABRSA-N	439.309	4.940	50	40	IJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)c1	408785440	FYGOCGVBMHYRNL-GDNBJRDFSA-N	433.420	4.893	50	40	IJGB	
CSc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3cccc(C)c3C)=C2C#N)cc1	409322852	YHFFNTJTJVXGBJ-GOSISDBHSA-N	437.590	4.736	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)c([N+](=O)[O-])c1	409392497	PSQGRFSHCQUHQE-VULFUBBASA-N	428.448	4.879	50	40	IJGB	
O=C(Cc1cccs1)NNC(=O)c1cccc(COc2cc(Cl)ccc2Cl)c1	2754787	CFYKFIWTVIGUIC-UHFFFAOYSA-N	435.332	4.638	50	40	IJGB	
COc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1Br	14920786	MBGCNBPIZAUZQY-NTRYICDMSA-N	449.348	4.914	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)cc1	34882236	PSONLOURCLUNAY-ZMOGYAJESA-N	448.504	4.990	50	40	IJGB	
CCCC[Sn]1(CCCC)OO[C@@H](c2ccc(C(=O)OCC)cc2)O1	195999617	YZXNSKQTTUJCDE-KAFJHEIMSA-M	443.128	4.883	50	40	IJGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCCc1c[nH]c2ccccc12	408951118	LJWVMDXIXKIJFU-AQTBWJFISA-N	426.432	4.602	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	409238132	CHGFVOIMYYWDTR-WBRURWICSA-N	444.491	4.795	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3c(C)cc(C)cc3nc2Cl)C(C#N)=C(N)O1	898822	VVXRFLLCKLZKBN-LJQANCHMSA-N	425.916	4.928	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(OCc2ccccc2)cc1	3090681	YATSBRCGBQBZRA-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)c1	8811013	WTTCLAHTYGPASH-FSJBWODESA-N	443.297	4.799	50	40	IJGB	
COc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1Br	14920789	MBGCNBPIZAUZQY-RHKYMZEHSA-N	449.348	4.914	50	40	IJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(I)cc1	408925876	UOOZIIOASODRHI-CSKARUKUSA-N	426.616	4.629	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408941340	WHXSWKSZIVKDKC-UYRXBGFRSA-N	429.432	4.728	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409004346	BZBGAICKSBNGDH-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccc(Cl)cc2/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409219533	NPALCVIGPKZXBQ-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)Nc1cccc(Br)c1	2805952	ZMCKRMWNHDPLSY-XNTDXEJSSA-N	437.249	4.953	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)c(O)c(Br)c2)c1	9113145	SROZHQBJPMWGSR-WUXMJOGZSA-N	436.103	4.771	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC	32890680	WRTHLTRYMXUIIQ-WOJGMQOQSA-N	443.341	4.860	50	40	IJGB	
COc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)cc1OC	100295716	IONBJZXZEQWLEE-FCRQHZQGSA-N	434.399	4.832	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccccc2F)c1	408707385	JTTMRMZKWROPSF-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408818224	YEHDNAUENQQCKK-ZROIWOOFSA-N	431.261	4.707	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=N\NC(=O)c2ccc(Cl)cc2)c(C)c1	409260927	YOJZFTSEHBGMLZ-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1	2311747	FZRRUAJSHNOUJP-SAPNQHFASA-N	437.565	4.805	50	40	IJGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1OC	3144986	KLMBFKHSFQTIRR-CVKSISIWSA-N	426.557	4.947	50	40	IJGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2)cc1	9089433	BVXRDWFTYJODCL-HXUWFJFHSA-N	435.549	4.529	50	40	IJGB	
COc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693285	KYHWRAYNEBPBTP-QGZVFWFLSA-N	425.941	4.877	50	40	IJGB	
COc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C)c1	33574942	WIIIZGGIJWQJLK-CFRMEGHHSA-N	448.504	4.990	50	40	IJGB	
N#C/C(=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1nc2ccccc2n1Cc1ccccc1	408729397	FAELPUCDGRQJAE-LICLKQGHSA-N	441.403	4.671	50	40	IJGB	
CCOC(=O)c1c(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)sc2c1CCCC2	408992583	AOBJWKBRLFPFHW-YSMPRRRNSA-N	449.576	4.975	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1	409005386	IGTZUNZMEBKGRD-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc(OCC)c1OCCC	409068944	SVRMLYZUBOLOAD-RCCKNPSSSA-N	448.519	4.935	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(F)cc2)cc1OCC	409310591	BCWMSPMXMNNXJS-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2CCc2ccccc2)c(OC)c1	1775732	NXSOEJNPMSWQKV-CJLVFECKSA-N	441.483	4.780	50	40	IJGB	
O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccc(Cl)cc1Cl	10386927	XUPRROAMVNAKQG-UHFFFAOYSA-N	433.686	4.533	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	59419133	CQIHWYFLKPHQRR-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OC(C)C	409187946	DLFXIHGSOKFEKJ-UFFVCSGVSA-N	425.710	4.662	50	40	IJGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O3)c1	6239668	SRHNCLUWPLFDRG-INIZCTEOSA-N	443.290	4.619	50	40	IJGB	
N#C/C(=C\c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152112	XGZLPNSNLWXOJL-RVDMUPIBSA-N	443.488	4.743	50	40	IJGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccccc2Cl)CCOCC1	225576865	DVCDULQEQVKUFD-UHFFFAOYSA-N	438.749	4.801	50	40	IJGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2Br)o1	252495052	OLQRJKNBVAFZFQ-YFHOEESVSA-N	425.076	4.942	50	40	IJGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)Cc3ccc(Cl)cc3)o2)ccc1Cl	408726206	AGADJYVKZUVHCE-WYMPLXKRSA-N	431.275	4.733	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408769651	YIKHAJSTMCZJDX-VUTHCHCSSA-N	440.591	4.855	50	40	IJGB	
COc1ccc2cc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)c(Cl)nc2c1	408837472	GILOVJSIDYUCHH-NUGSKGIGSA-N	438.698	4.733	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)[C@H]1COc2ccccc2O1	408862056	WTHYPPILUITTAL-BGUYBBADSA-N	438.483	4.709	50	40	IJGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1	409315141	ILEGLYDTIHJFTG-SFHVURJKSA-N	437.590	4.681	50	40	IJGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(C)c1C#N	408721425	HJASZTUGDPNNJI-LGJNPRDNSA-N	426.501	4.957	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccccc1	408800106	KMUQNHNIQPMHJT-CQHJRZBDSA-N	443.478	4.628	50	40	IJGB	
COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1	409204132	BXBHZFOFOBFTGG-VJWWNUEDSA-N	433.895	4.685	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1nc(O)c2ccccc2n1	3945065	WSQUMABTRPTOSM-BJMVGYQFSA-N	447.086	4.630	50	40	IJGB	
Cc1n[nH]c2c1[C@H](c1cc(COc3ccc(F)cc3Cl)c(C)s1)C(C#N)=C(N)O2	6300199	ATRVBSPDYMHUDN-SFHVURJKSA-N	430.892	4.678	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1	8404180	PVEOPHGPQHCEQK-BCFQCKSHSA-N	444.343	4.976	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)NC(=O)C[C@H]1c1cccs1	9110196	HXHRLSIRSCKRQS-CYBMUJFWSA-N	438.361	4.765	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1	208249100	APFQCWYXEGQEPZ-FWWWNHOTSA-N	429.948	4.600	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1I	408792910	BZPRFBWFVVSPCJ-MHWRWJLKSA-N	446.288	4.852	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccccc2Cl)cc1	408863547	NIKRYYUKKGGWDH-UHFFFAOYSA-N	447.988	4.670	50	40	IJGB	
O=C(COc1ccccc1CP(=O)(c1ccccc1)c1ccccc1)N1CCCCC1	2248650	LZGLCWUQSVCWLT-UHFFFAOYSA-N	433.488	4.592	50	40	IJGB	
COc1ccc(OC)c(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)c1	6239673	DQAUZIMJGVJNNZ-MRXNPFEDSA-N	443.290	4.619	50	40	IJGB	
Cc1c(C(=O)NNC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)oc2ccccc12	22507997	DCVKDDGWDKRHKO-UHFFFAOYSA-N	436.537	4.735	50	40	IJGB	
O=P(c1ccccc1)(c1ccccc1)c1c(Br)cccc1Br	95470390	KYHACENXIRZBQI-UHFFFAOYSA-N	436.083	4.851	50	40	IJGB	
Cc1ccc(N2CC(=N)[C@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1	103463369	YPPOSKOFALVYKW-NDEPHWFRSA-N	449.514	4.724	50	40	IJGB	
N#C/C(=C\c1cc(Br)c(O)c(I)c1)c1ccccc1	408737612	FPRVKZPGAADUCC-WUXMJOGZSA-N	426.051	4.823	50	40	IJGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)OC)CCCC3)c1C	408775254	FSLKZXKMHBSKDH-AQTBWJFISA-N	439.581	4.596	50	40	IJGB	
Cc1ccc(Cl)cc1N(CC(=O)NN=C1CCCCCC1)S(=O)(=O)c1ccccc1	408831719	RTWRGEDSAGALIW-UHFFFAOYSA-N	447.988	4.670	50	40	IJGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409390160	BUHYUZKSMMKQDL-ZSOIEALJSA-N	440.297	4.972	50	40	IJGB	
CCC(=O)NNc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2	856851	RSZGNOYDTLQXMQ-UHFFFAOYSA-N	428.536	4.511	50	40	IJGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	1782545	FAWQNBFYJOQGQB-XIJPWPHISA-N	439.737	4.727	50	40	IJGB	
Cc1ccc(Cn2c(SCC(=O)N/N=C/c3cccc(C)c3)nc3ccccc32)cc1	3210123	DILSWXGKTMEQAS-CVKSISIWSA-N	428.561	4.944	50	40	IJGB	
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)c1OCc1ccc(Cl)cc1	6197106	IDFFZZSBAWQOJZ-FQEVSTJZSA-N	436.899	4.567	50	40	IJGB	
O=C(CSc1nc(C2CC2)n[nH]1)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	11474108	PGGMJAIZRCTPTR-BRJLIKDPSA-N	445.470	4.860	50	40	IJGB	
C=C(C)CSc1nnc(SCC(=O)/C(C#N)=C2\Sc3ccccc3N2C)s1	12522640	MIIPWFLJTIVBNP-VBKFSLOCSA-N	432.621	4.845	50	40	IJGB	
Cc1cc(Br)cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c1O	13943606	NTRKWHVTLAPHHH-CFRMEGHHSA-N	439.309	4.659	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Br	59232935	SYHSGQUZKMYPDO-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59249367	YFINZUGVOBDTPQ-BOPFTXTBSA-N	425.916	4.802	50	40	IJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C(=O)O)o3)c3ccccc23)c1	408540685	AXXZSGVQWSOALM-WJDWOHSUSA-N	441.443	4.535	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1	408650375	MLLNPBMWSBFAPY-XLIONFOSSA-N	448.346	4.733	50	40	IJGB	
O=C(CSCc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(OCc2ccccc2)cc1	408726933	NVDPTIUGOWDLMY-ZVHZXABRSA-N	435.505	4.557	50	40	IJGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408799669	HKBKHEMDYSSNMY-OQLLNIDSSA-N	429.701	4.969	50	40	IJGB	
CCC1CCC(=NNC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)CC1	16636794	YWYZOGWFXMEHEN-UHFFFAOYSA-N	441.597	4.571	50	40	IJGB	
COc1cccc(Cn2nc(C)c(/C=N/NC(=O)c3cc4ccccc4cc3O)c2Cl)c1	33042724	IYETZZFEQWLFBL-LGJNPRDNSA-N	448.910	4.525	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1cccc([N+](=O)[O-])c1	108232877	IAMSRBAUGOVUTF-XYOKQWHBSA-N	438.783	4.962	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cccc(OCc2ccccc2Cl)c1	408567470	NPGWKNMPDNAZOC-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OCc1cccc(C)c1	408771343	HGMIZESTVWWMQS-NVMNQCDNSA-N	443.341	4.777	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	33411511	BFGQDAFDUQBHJI-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(C)n1-c1ccc2ncccc2c1	33738972	AGIMULOSWNSSMQ-MTJSOVHGSA-N	436.471	4.886	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccco2)c(Br)cc1OCc1ccccc1F	409088182	FFODATFNRVFYDV-FOKLQQMPSA-N	447.260	4.533	50	40	IJGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)Nc1cccc(C(=O)O)c1	2784810	NPEHQUHWGPVTGK-YBFXNURJSA-N	437.455	4.991	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	8811073	YCJUWXPFPPIOHS-DHRITJCHSA-N	425.916	4.837	50	40	IJGB	
N#CC1=C(n2cccc2)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@]12C(=O)Nc1ccccc12	12376677	ATBGJVWDXGCOMU-MHZLTWQESA-N	432.483	4.598	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1c(C)cccc1C	13893036	YQGYGNFAYOKJSO-KGENOOAVSA-N	446.503	4.586	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1	408727897	YAYJYDZEHHRHIA-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I	408793078	NDCOLZJWYGQLQQ-LFIBNONCSA-N	444.272	4.710	50	40	IJGB	
C#CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	408798106	UUUQIBRCRVGWEA-LICLKQGHSA-N	439.309	4.632	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	9693145	OPZLWRDTFDDGQS-IBGZPJMESA-N	425.941	4.958	50	40	IJGB	
CCOc1cc(Br)cc(/C=N\NC(=O)COc2ccc([C@H](C)CC)cc2)c1O	10058871	PYILEGARQHHHKH-GKGMIHAQSA-N	449.345	4.596	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1O	14360426	YLZNJJJNEPLHOD-IZZDOVSWSA-N	441.203	4.728	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c1	59676749	CFIPVXKJRKZFAH-BWAHOGKJSA-N	438.575	4.967	50	40	IJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](C)Sc1ccc(Cl)cc1	409001897	XNMHEYLAMRRTBG-CYGNYLSHSA-N	434.949	4.725	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	409225575	PTSZWYULBITVKG-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(F)c(Oc2ccccc2)c1	663565	YJTWOGDYSWUYFN-OAQYLSRUSA-N	426.403	4.943	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(OC(=O)c2cccc(F)c2)c1	682780	DGXYGTYAOUFSNV-JFLMPSFJSA-N	443.434	4.772	50	40	IJGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4c(F)cccc4Cl)CC(=O)N3C2)cc1	2326997	FJWLBHRWRBWGAU-HNNXBMFYSA-N	429.904	4.707	50	40	IJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OCC)c2)cc1Br	408742852	SZVPTWNMYZWPJS-LFIBNONCSA-N	427.298	4.958	50	40	IJGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccc(Cl)c(Cl)c1	408955271	WSLJZMKNGOFHCH-YAXRCOADSA-N	440.906	4.875	50	40	IJGB	
COc1ccccc1NC(=O)COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	409377795	KUZCAZKDJGPZEW-CPNJWEJPSA-N	429.432	4.685	50	40	IJGB	
O=C(NNC(=O)c1ccc(OCc2ccccc2)cc1)Nc1ccc(OC(F)(F)F)cc1	2504520	ZCCJRLMQCXEEFJ-UHFFFAOYSA-N	445.397	4.631	50	40	IJGB	
O=C(N/N=C\c1cc(Br)c(Br)o1)c1cccc(C(F)(F)F)c1	15012523	ISJROOLNJMXOSM-SWNXQHNESA-N	440.013	4.587	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl	33525796	OWHXDGPRUWWTLW-LSHDLFTRSA-N	448.287	4.892	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Br)cc1OCC#N	408790884	RTLXVWKEDRTYBV-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Br)cc2)c(OC)c1	408804224	DKWMZWIMEAXHDH-LZNAANCOSA-N	443.341	4.858	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408892145	BKIJYDKSWQPMSQ-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057363	FIOWNLRERYZHHL-IZZDOVSWSA-N	436.649	4.565	50	40	IJGB	
C=CCNC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCCCC)cc1	16804879	NNZHYMHXGPVIKQ-FXBPSFAMSA-N	426.520	4.927	50	40	IJGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccccc3)c2C)sc(C)c1C	409198719	DKDNYSCRWYRBCJ-CIAFOILYSA-N	447.560	4.782	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	409226496	TWOIFQXEIIVPHF-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccccc1	409229773	UVXHLGMSZPIRLG-JYBCESJWSA-N	426.472	4.748	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OCc3cccc(F)c3)cc2)cc1OC	409332689	HSADAMJVVMGVQN-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)c1	409342302	BDAVNGVGWDAUSW-YDZHTSKRSA-N	441.281	4.650	50	40	IJGB	
O=P(COCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	3099857	KNSKBATZOAOFSB-UHFFFAOYSA-N	446.423	4.946	50	40	IJGB	biogenic
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NC1CCCCC1)=C(C#N)[C@@H]2c1ccco1	6015225	FBEISCUILKQCPV-OAQYLSRUSA-N	439.581	4.527	50	40	IJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)c1	9259711	XIMAKFAHTXCSOS-XDHOZWIPSA-N	430.464	4.865	50	40	IJGB	
CC1(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)OCCO1	9554166	CHUFYRYHNYNYAB-BRJLIKDPSA-N	446.334	4.600	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc([N+](=O)[O-])c4)CC(=O)N3C2)cc1Cl	12251123	IAIGNDGTJNEMKU-KRWDZBQOSA-N	440.912	4.776	50	40	IJGB	
C[C@H]1CCCCC1=NNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	13882128	NZBOFFGRBCITRH-AWEZNQCLSA-N	428.330	4.997	50	40	IJGB	
OCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	138099558	WAKUXSKQHJFZNX-LURJTMIESA-N	446.091	4.811	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(N2CCCC2)cc1	408677944	WDVLCRHQXBAOBE-BUVRLJJBSA-N	431.521	4.671	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCc1c(C)cc(C)cc1C	408810355	ISVJKIAHOUMGRN-HYARGMPZSA-N	436.552	4.649	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408962413	RPNXWNSEYGSHTP-DHRITJCHSA-N	433.395	4.823	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2cccc(C)c2)cc1	409047717	QEDAQOVGOFGVQV-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2)NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	13174388	DCPDBQTZVZAWFF-FQEVSTJZSA-N	439.924	4.734	50	40	IJGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(N(C)C)c(Br)c1	14185979	MMBIVECCEQBLLW-KIHMUJGBSA-N	440.794	4.799	50	40	IJGB	
CC1CCN(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)CC1	16790919	FBOANOUDXVJAGU-ZHZULCJRSA-N	441.491	4.613	50	40	IJGB	
O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)C(c1ccccc1)c1ccccc1	17096447	RELVFLCDTCOUCL-UHFFFAOYSA-N	429.467	4.855	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(C(F)(F)F)c1	28640857	CISIHMRLMNYCAX-ROTLSHHCSA-N	430.386	4.785	50	40	IJGB	
Cc1c(-c2ccccc2)c(=O)nc(C(Br)Br)n1-c1ccccc1	59091747	MJHNCLHRDCHGAU-UHFFFAOYSA-N	434.131	4.996	50	40	IJGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	226337351	LKQHAEZHAGUTGX-QPJJXVBHSA-N	426.650	4.724	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1	408892361	ARAPZZWCALEDSQ-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
Cc1[nH]nc2c1[C@@H](c1cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c1)C(C#N)=C(N)O2	409139604	OKFHEVBOBVGDFR-SFHVURJKSA-N	445.281	4.961	50	40	IJGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)C(c1ccccc1)c1ccccc1	409390557	FGJROQXIZPYUIH-OEAKJJBVSA-N	438.281	4.640	50	40	IJGB	
O=C(c1ccc2c(c1)OCCO2)[C@H](Br)[C@H](Br)c1ccccc1	2275931	PAEYQESFSZSVTP-HZPDHXFCSA-N	426.104	4.540	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1cccc(Cl)c1	3174584	NXXMBBDGUCEPJC-UMYHVIPVSA-N	439.737	4.809	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc3ccccc23)NC(=O)C[C@H]1c1ccccc1F	9334810	PEKATDIFNDZUEC-SFHVURJKSA-N	431.492	4.689	50	40	IJGB	
CCc1c/c(=N\NC(=O)[C@H](N)c2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	13570926	JPIWFDFCUHIWCL-JJMKSGPCSA-N	445.563	4.655	50	40	IJGB	
Cc1ccc(NC(=O)[C@@H](OC(=O)/C(C#N)=C\c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1	34707225	LSMCOTFKLUNHAD-WNPPMXKSSA-N	441.443	4.733	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1	408741494	JGIHGMSJMHLYGK-BRJLIKDPSA-N	444.318	4.951	50	40	IJGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C	59303533	YUSYSCXFRQATPM-BRJLIKDPSA-N	439.899	4.527	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(F)c2)cc1	408706677	CCVYNZKKXICRDC-LGJNPRDNSA-N	438.890	4.928	50	40	IJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1I	408799511	ZHXJCGLUQZLLEM-XNTDXEJSSA-N	432.261	4.544	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1	409226404	VVJJEDXSRWAFQQ-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
O=C(CCCC[C@@H]1CCSS1)NC1CCN(c2cc(-c3cccs3)[nH]n2)CC1	575610096	ZPLBJMIFOWGJMD-MRXNPFEDSA-N	436.672	4.937	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	1107289	FEQPIPNKQMBNBE-LJQANCHMSA-N	439.855	4.959	50	40	IJGB	
c1ccc(P(c2ccccc2)[C@@H]2CNC[C@H]2P(c2ccccc2)c2ccccc2)cc1	2572366	YMRKZKDKJJCIHH-VSGBNLITSA-N	439.479	4.593	50	40	IJGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cc(Cl)cc(Cl)c1O	16450108	OIZNSBZLOGTAFO-IFRROFPPSA-N	448.169	4.845	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)O[C@@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)cc1C	408646418	IVKWLWZGCGUCHX-PXNSSMCTSA-N	448.346	4.733	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(F)cc1	408738274	TYTGWPBLFOQBQL-RDRPBHBLSA-N	441.506	4.619	50	40	IJGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)c(Cl)c1	408739848	GCEKSHJDPCQHEA-FOKLQQMPSA-N	446.732	4.980	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1cc(Cl)ccc1Cl	409005379	ZQTGSRVKCSVRNF-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(S(=O)(=O)C[C@H](Cl)c2ccccc2)c1	973137	CTNKOSRQVHPLPG-FQEVSTJZSA-N	444.896	4.601	50	40	IJGB	
COc1ccccc1[C@@H]1CC(=O)N2CN(c3ccc(C)c(Cl)c3)CSC2=C1C#N	9693304	CFCUXZMMZUUPKF-KRWDZBQOSA-N	425.941	4.877	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2cccc3ccccc23)c1C	408592600	ZQPICDYLEKVRBQ-CVKSISIWSA-N	442.475	4.928	50	40	IJGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)Nc1cccc(C(F)(F)F)c1	409247566	IGKJBVCGHGRJET-UVTDQMKNSA-N	426.354	4.950	50	40	IJGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(Br)cc1	409364598	YOHLLJCKADYXPW-DHRITJCHSA-N	440.341	4.952	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSCc3ccc(C)cc3)o2)cc1	8843119	UVNLRYZIRSSICV-AFUMVMLFSA-N	436.533	4.815	50	40	IJGB	
Cc1ccc([C@]2(O)CSC3=C(C#N)[C@@H](c4ccc(C(F)(F)F)cc4)CC(=O)N32)cc1	12275445	HHKDHQXLEGRPJT-DYESRHJHSA-N	430.451	4.657	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	13338283	XGAFWRZWUWLXHZ-DEDYPNTBSA-N	428.444	4.518	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3[N+](=O)[O-])o2)cc1Cl	67192574	RNHWLENWVSDFJE-AUEPDCJTSA-N	448.262	4.999	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl	408948827	HBJRYJOFMBTJLT-YVLHZVERSA-N	438.314	4.753	50	40	IJGB	
CCOc1ccc(C(=O)N/N=C\c2cc(Cl)c(OCC)c(OCC)c2)cc1OCC	409310898	CMIWFXRVAOHGRP-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC(C)=O)c(OC)c3)n2)cc1OC	9075747	QEXFVVJPRKDTCR-MFOYZWKCSA-N	436.489	4.825	50	40	IJGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1cccc(O)c1	9763050	SHDUSWALYYODQL-IMRQLAEWSA-N	440.503	4.824	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc(Br)c1OCC	59292024	MCENMFYRTVFREI-GDNBJRDFSA-N	445.313	4.801	50	40	IJGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	97959373	RANVDXTUIJNFBN-JJIBRWJFSA-N	427.501	4.863	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc([N+](=O)[O-])c1	408811397	LHLGCJDREYFNEO-WQRHYEAKSA-N	447.422	4.867	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)o1	408887317	PKXNHRYHJLVJJP-SSDVNMTOSA-N	436.449	4.547	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OC	409326159	HNXFPBITDNFGKO-ZMFRSBBQSA-N	442.874	4.839	50	40	IJGB	
Cc1cc(C)cc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)c1	409333954	PVOWKBNNZAITEF-SFHVURJKSA-N	425.941	4.667	50	40	IJGB	
O=C(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NNc2ncc(C(F)(F)F)cc2Cl)c1	1384766	NHBULRJBPIKJQV-UHFFFAOYSA-N	443.212	4.723	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)cc1	9190145	VXXKYSANFVMOIO-YDZHTSKRSA-N	441.281	4.650	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(Br)cc1	14134802	UGRMTHQKOZNUNK-WSDLNYQXSA-N	445.338	4.862	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	408612978	YAFPXCGZGVKUOM-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccc(Br)cc3)c2C)cc1	408739471	WPAUKSYMEXPYBL-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccc2ccccc2c1	408762436	KLMQMIACDMZLPI-WGOQTCKBSA-N	439.427	4.731	50	40	IJGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)c1	408808502	JEHPSFQIYTZAFS-ICVZWXRDSA-N	434.536	4.885	50	40	IJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)C(=O)NCCCc1ccccc1	409252505	SHCHGHWLQZAFLL-AQTBWJFISA-N	434.879	4.954	50	40	IJGB	
O=C(N/N=C/c1cccs1)c1csc(-n2nc(C(F)(F)F)cc2-c2ccccc2)n1	1415694	MCVMKJWDMQUGGK-AUEPDCJTSA-N	447.467	4.840	50	40	IJGB	
C=CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC	6600406	BWHQHQOLLYQWJE-LJQANCHMSA-N	428.916	4.754	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3[N+](=O)[O-])c2C)c(C)c1	20195446	CJLHNPYGWFKFHR-DHRITJCHSA-N	438.915	4.965	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1	408737874	IOKBDVDGYLTRBS-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc([N+](=O)[O-])c1	408854802	BOMMHXQOEXZLGJ-QFEZKATASA-N	445.431	4.693	50	40	IJGB	
Cc1cc(/C=N\NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc2ncccc2c1	408964111	BRCGSLAELFKJKH-VYYCAZPPSA-N	432.911	4.825	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2cccc(Br)c2)cc1Cl	409020280	NLUJZUMJACBHJV-BTXKWLAHSA-N	439.737	4.809	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3ccc(C)c(C)c3nc2Cl)C(C#N)=C(N)O1	899068	BQQOUOYJTIRPDN-GOSISDBHSA-N	425.916	4.928	50	40	IJGB	
Cc1ccc(Nc2nnc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)s2)cc1C	3316681	OSZSYOYHEQLYFH-UHFFFAOYSA-N	434.550	4.833	50	40	IJGB	
CCOc1ccc(/C=C2/CN(C)CC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OCC)cc2)cc1	8815725	IMALPVYECIGASW-OKPLFKEKSA-N	443.547	4.575	50	40	IJGB	
N#CC1=C2SCN(c3ccccc3F)CN2C(=O)C[C@H]1c1cccc(Br)c1	9693434	SAFLQGIABQUCEK-HNNXBMFYSA-N	444.329	4.808	50	40	IJGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(-c2ccccc2)c2ccccc32)cc1	12371901	ZENZMLLIJKPDMH-QFIPXVFZSA-N	437.524	4.931	50	40	IJGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	17306461	YJPMXWBHOAFREX-GHRIWEEISA-N	435.505	4.981	50	40	IJGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c(O)c1	408855568	GEQWBYUQDKZDSH-UUYOSTAYSA-N	430.302	4.511	50	40	IJGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409035884	QWOKHUKGQPCQBN-MPTKSEEOSA-N	447.498	4.656	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)C(=O)NCCCc1ccccc1	409245384	RZPJNDKKIQQTSK-JLPGSUDCSA-N	440.499	4.620	50	40	IJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)CSc2ccc(OC)cc2)cc1OC	409375487	LMMMRCGGCYJDIW-IIHGDPFSSA-N	436.961	4.777	50	40	IJGB	
c1ccc(C[C@@H]2COC([C@H]3CCCCN3P(c3ccccc3)c3ccccc3)=N2)cc1	1988188143	YCCYXXUAXWOWOK-ZEQKJWHPSA-N	428.516	4.929	50	40	IJGB	
O=C(Cc1c(Cl)cccc1Cl)NNC(=O)c1cc(-c2ccco2)nc2ccccc12	2636091	DYJRQRWNLNRRQL-UHFFFAOYSA-N	440.286	4.805	50	40	IJGB	
O=C(CCCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21	3063960	JVYSZPGLAQFWAX-NKFKGCMQSA-N	425.699	4.807	50	40	IJGB	
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	83299819	JBPUETPDNZAQML-RLWVUDJFSA-N	437.515	4.596	50	40	IJGB	
C[C@@]1(C(=O)N/N=C/c2ccc(Br)cc2)NC2(CCCCC2)Cc2ccccc21	408734033	DOHSYFXVAQQMIG-NJRDNMGOSA-N	440.385	4.663	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C)c(C)c2)cc1	408827010	FKCZDQQJGDYTNB-UHFFFAOYSA-N	441.597	4.634	50	40	IJGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)COc2cccc3cccnc23)cc1OC	409384169	AKMVVJNZLDEPHX-WEPAEKJRSA-N	441.915	4.603	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F	804207	YVOGUEMMGNPJKV-QHCPKHFHSA-N	448.494	4.864	50	40	IJGB	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)c1C	9442093	CVGUAERBDAUGQQ-LDADJPATSA-N	447.520	4.874	50	40	IJGB	
COc1ccc(OCC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	28217299	GPZCIAJQLQDSCI-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
O=C(N/N=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(Cl)c1	32116963	YJOGXDROVBRGCE-UUYOSTAYSA-N	440.799	4.713	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1ccc(Br)cc1	58871667	NCDMFHRFQLWAFJ-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1	408788047	AIWZTFOPCBDMQA-XSFVSMFZSA-N	430.435	4.737	50	40	IJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)c1	9905637	VBMIEEAWYCFKNP-DEDYPNTBSA-N	428.444	4.518	50	40	IJGB	
C/C(=N\NC(=O)CCCCC(=O)N/N=C(\C)c1ccc(C)cc1C)c1ccc(C)cc1C	17099153	YGNPWGWPJHVKCE-GPAWKIAZSA-N	434.584	4.861	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1C	223153948	XABBGYPNYXZBLA-MYKKPKGFSA-N	430.291	4.959	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3cccc(F)c3)c2)c([N+](=O)[O-])c1	408879112	CLVBUCAACJPGAM-WOJGMQOQSA-N	445.406	4.807	50	40	IJGB	
Cc1cccc(C)c1-n1c(C)c(Br)c(/C=N/NC(=O)c2cccnc2)c1C	1098384	XZMLQVSEVHOQIE-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1Br)[C@@H](Br)C2=O	2223353	HIUVZFSAJLHFJR-VUCTXSBTSA-N	429.152	4.547	50	40	IJGB	
O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)NNC(=S)Nc1ccccc1	8437561	PLEPUGUHHDGDMN-UHFFFAOYSA-N	434.999	4.573	50	40	IJGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	13880614	OVZMABGQYXYIFB-LGJNPRDNSA-N	438.270	4.848	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)N1CCN(c2ccccc2)CC1	59332830	AVWTWMYBTBVBRB-NKFKGCMQSA-N	441.506	4.660	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)c1C	408745291	LELLEISQDPSMQT-ZHZULCJRSA-N	443.503	4.743	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(Br)c1OC	408766420	QIDQOUWBCRVXDT-YDZHTSKRSA-N	427.298	4.774	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c(C)c1	409232818	SFYHWJHNUPMTKK-OQLNFPPLSA-N	441.531	4.974	50	40	IJGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)c1ccc(F)cc1	9190159	HZDLMQHXVWVMDC-ZMOGYAJESA-N	441.256	4.571	50	40	IJGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C)c1ccccc1	28216658	TZZWNEQXSPLCQN-JHXRPTDYSA-N	440.341	4.694	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccccc1	409238823	MBCMIRHWXYNDSF-OYADDEIPSA-N	426.472	4.748	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c2)c(C)c1	409267321	SVDHRAOUPDRAJD-DEDYPNTBSA-N	441.487	4.572	50	40	IJGB	
O=C(N/N=C/c1cccnc1)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1	2343557	WOALSWYXEIKQDA-VUTHCHCSSA-N	434.499	4.616	50	40	IJGB	
N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cc3ccccc3oc2=O)cs1	96751837	OVMVDGFUWLMVGO-JLHYYAGUSA-N	434.408	4.940	50	40	IJGB	
Cc1ccc(N2C[C@@H](C(=O)NNc3ccccc3OCc3ccc(Cl)cc3)CC2=O)cc1	408609240	QOVHFQXATIKOPZ-IBGZPJMESA-N	449.938	4.724	50	40	IJGB	
C/C(=N\NC(=O)COc1ccccc1C)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408861617	TWZCVHKZELVCIA-WPWMEQJKSA-N	435.911	4.820	50	40	IJGB	
COc1ccc(Br)cc1/C=N\NC(=O)Nc1ccc(Br)c(C)c1	408904722	NPEVYYAPTBLBAK-OCKHKDLRSA-N	441.123	4.684	50	40	IJGB	
O=C(O)c1cccc(Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)c1	408948223	QXNVGGLRRZCFSB-VYYCAZPPSA-N	437.455	4.898	50	40	IJGB	
CC(C)COc1ccc(/C=N/NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408976631	BKQYLFPOLPSJHN-MJHSOURCSA-N	443.547	4.733	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	409251975	ASSYCKMTMTUYJM-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
N#CC1=C(N)N(c2cccc(Br)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1	716439	JKTITWYHZOVYMW-SFHVURJKSA-N	426.339	4.815	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1)c1ccco1	13564445	JTVCVYJAENTBFA-BWAHOGKJSA-N	445.548	4.777	50	40	IJGB	
COc1ccc(C(=O)N/N=C/c2c(Br)c(C)n(-c3cccc(C)c3)c2C)cc1	20243857	QPLDMJUHBPNKQU-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3ccc(Br)cc3)o2)cc1C(=O)O	408850614	PMBZWURAWHVUNC-JJFYIABZSA-N	442.269	4.871	50	40	IJGB	
CC(=O)c1cccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c1	1801216	SMUSVJZGKZOZDS-CVEARBPZSA-N	425.120	4.727	50	40	IJGB	
C/C(=N\NC(=O)CCCCCC(=O)N/N=C(\C)c1ccc(C)s1)c1ccc(C)s1	12462523	JDIRAMAGRDQTLC-LKNRODPVSA-N	432.615	4.758	50	40	IJGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	59720935	JBNOHJQRTURDPL-AUEPDCJTSA-N	433.251	4.724	50	40	IJGB	
CCCC1=C(C(=O)OCC)[C@@H](c2c(OC)ccc3ccccc23)N2C(=N1)SC(C#N)=C2N	408606785	PVLXBJSUXCAAJM-OAQYLSRUSA-N	448.548	4.577	50	40	IJGB	
O=C(Oc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccccc1	409218542	FTHOPWSPFHDGDH-QQXSKIMKSA-N	439.427	4.731	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1	2173200	VKKHNUIAPMIHJF-UVHMKAGCSA-N	442.441	4.510	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(O)c1	3210824	HKGNLTQYOLEGCT-MFKUBSTISA-N	447.564	4.711	50	40	IJGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc(Br)c1O	10014006	GXYOSCUBDAELKA-IBGZPJMESA-N	437.293	4.925	50	40	IJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1OC	12124815	LLEFENWYPQYMMJ-HMMYKYKNSA-N	436.508	4.987	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OCCSc1ccc(Cl)cc1	41078026	SALRCJIFNSRZIN-MFKUBSTISA-N	441.940	4.679	50	40	IJGB	
N#C/C(=C(\O)NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102104139	FHVBTIIMYYHNOW-BYCLXTJYSA-O	449.470	4.661	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(Br)c1OC	408749794	UJVDKLDAFVNHIP-DNTJNYDQSA-N	432.101	4.537	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1I	408905212	VFZWYMKRYFWWKA-LPYMAVHISA-N	444.272	4.607	50	40	IJGB	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(C)c3)nnc2-c2ccccc2)cc1	2342635	GNFZTVSHEINSPB-WGOQTCKBSA-N	441.560	4.794	50	40	IJGB	
Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	8722097	NXXSJGLECOCNRI-CVKSISIWSA-N	440.459	4.794	50	40	IJGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Br	8958850	FENNPBCTLWZJBA-IZZDOVSWSA-N	440.175	4.922	50	40	IJGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)cc1	71325870	SMTMWBKHPKUXTE-YDZHTSKRSA-N	441.281	4.650	50	40	IJGB	
Clc1c(CI)ccc(CI)c1Cl	104133626	PYLTYZNXOJLDNY-UHFFFAOYSA-N	426.850	4.863	50	40	IJGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OC	408788046	AIIRPQIPGORMJL-MHWRWJLKSA-N	427.298	4.877	50	40	IJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1	408797952	DBLWOUHQFHSNKY-LUJYGJGBSA-N	427.460	4.958	50	40	IJGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c3ccccc32)o1	409389605	CEJZUOBXCCICMW-AQTBWJFISA-N	439.471	4.923	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)c3cc(C)ccc3n2)c(O)c1	6078432	VWSSICOTMFUPID-AFUMVMLFSA-N	436.581	4.646	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C)c1ccc2ccccc2c1	9216062	HJPRCPMOTUCQSG-MYYYXRDXSA-N	449.967	4.921	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C)c1	13955425	GRODIUVPVMDULB-KSEXSDGBSA-N	427.844	4.654	50	40	IJGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)NC3=C2C(=O)CCC3)cc1	20347492	YBKCRGIVIGQICX-QHCPKHFHSA-N	447.535	4.935	50	40	IJGB	
O=C(N/N=C/C1=C(N2CCOCC2)/C(=C\c2ccc(Cl)cc2Cl)CC1)c1ccco1	35329176	WFXJULYNRQCVAN-IJAYVWAESA-N	446.334	4.766	50	40	IJGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1	59473243	BLRDLVGKBPAQIK-MMTYYTLLSA-N	448.972	4.691	50	40	IJGB	
Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc4c(c3)CCN4CCCCl)C2=O)cc1C	103118821	MFVLJVFSDOCOJS-ZHZULCJRSA-N	437.927	4.802	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1	408820416	VZTDXURURNHOTO-BKUYFWCQSA-N	444.491	4.543	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)c(OC)c1	408869873	SFRGLKPWWVZFSO-YDZHTSKRSA-N	443.547	4.952	50	40	IJGB	
O=C(N/N=C/c1ccc2ccccc2c1)c1ccn(Cc2cccc(Br)c2)n1	1081728	DLUOUYBQIMTFQP-ZVHZXABRSA-N	433.309	4.611	50	40	IJGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)c1	408590313	OWHMHXFDABCYGU-CVKSISIWSA-N	437.927	4.617	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccccc1-n1cccc1	408766158	ZVDZGFJAIXTKKT-WPWMEQJKSA-N	435.487	4.697	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	408775314	GMDDSZLJBZYZJS-UNOMPAQXSA-N	445.479	4.621	50	40	IJGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1O)c1ccc(Cl)cc1	409218543	FTVOJVXPWILANJ-MSXFZWOLSA-N	429.259	4.682	50	40	IJGB	
Cc1ccc(O[C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)c(Br)c1	943551	RDJGOFUKUFPKJR-CHOFVFFHSA-N	427.298	4.534	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1COc1ccc(Cl)cc1Cl	2275731	RZAOCGSRBKBEAZ-OPEKNORGSA-N	430.291	4.740	50	40	IJGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	3089317	LFRKWLQIOFUIKJ-AFUMVMLFSA-N	449.532	4.866	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C(=O)O)cc1	16362913	ZIFKNPHLASTXSB-BKUYFWCQSA-N	442.471	4.827	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1C#N	409195572	WNDJONYRJCPOML-GRSHGNNSSA-N	435.911	4.765	50	40	IJGB	
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NNC(=O)c1cccs1	8750764	RORZTEFLXLLKHJ-UHFFFAOYSA-N	435.530	4.623	50	40	IJGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	12859698	VCOQGPFFFZVMIY-FOKLQQMPSA-N	427.844	4.654	50	40	IJGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccc2Br)o1	20760243	QEYZRHLVRAKALD-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCC(=O)Nc1ccccc1	33497803	TXUZCDIBLDUXDQ-UYRXBGFRSA-N	438.487	4.962	50	40	IJGB	
N#CC1=C(N)Oc2cc(OC(=O)c3ccccc3)ccc2[C@@H]1c1cccc(Br)c1	38651440	FSKSPLYZXPYXQN-NRFANRHFSA-N	447.288	4.886	50	40	IJGB	
CCOc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC	103592256	NFPMKZLONZSRFP-BJMVGYQFSA-N	436.258	4.774	50	40	IJGB	
COc1cccc2c(/C=N/NC(=O)c3cccc(NC(C)=O)c3)c(-c3ccccc3)[nH]c12	107733283	ZTKDSARDXBSLPY-CVKSISIWSA-N	426.476	4.566	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408937009	GMFMAELJDCOODQ-BOPFTXTBSA-N	425.916	4.802	50	40	IJGB	
N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)N1CCCC1	409373646	XIPSNJAQBNSLAN-RVDMUPIBSA-N	431.370	4.935	50	40	IJGB	
Cc1cccn2c(=O)c(/C=C(\C#N)c3nc4ccccc4n3C)c(Oc3ccccc3)nc12	9209737	KOHGWXZATSGULB-OBGWFSINSA-N	433.471	4.746	50	40	IJGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OC)cc2)C2=C(O)CC(C)(C)CC2=N1	102443343	IIIUFKZCGHUVEK-FQEVSTJZSA-N	426.538	4.897	50	40	IJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(Br)c3)c2C)c1	408758695	PHUWREXYIQLHIV-CFRMEGHHSA-N	440.341	4.694	50	40	IJGB	
CC(C)COc1ccc(/C=N/NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1	408976632	BKQYLFPOLPSJHN-QMFOPCRCSA-N	443.547	4.733	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C	409262493	FJZGGUHRJOQEEB-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
COc1cc(Br)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c1O	8437576	OVXHJLJGXQSFQW-FOKLQQMPSA-N	439.265	4.827	50	40	IJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)c1	8780969	WJPUSIKJTWUJGT-NDENLUEZSA-N	428.444	4.518	50	40	IJGB	
Cc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(OCC(=O)O)c(Br)c3)[nH]c2c1	9263460	GHDNLFWRSSNNLJ-LFYBBSHMSA-N	446.688	4.815	50	40	IJGB	
O=C(Cc1cccs1)NNC(=O)c1ccc(COc2cc(Cl)ccc2Cl)cc1	23017453	PUOYPTTXARALMG-UHFFFAOYSA-N	435.332	4.638	50	40	IJGB	
COC(=O)C1=C(C)NC(SCc2ccccc2C)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	27104055	STDYGARCDAQAQV-OAQYLSRUSA-N	435.505	4.706	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1Cl	30822107	JALFDYZVDRBTRK-MXAYSNPKSA-N	443.286	4.985	50	40	IJGB	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(/C#N)C(=O)NCCc1ccccc1	34703940	RSPLPEUBKPNPGO-ATVHPVEESA-N	425.319	4.753	50	40	IJGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914712	SQHDHAWRFCWDEX-MYKKPKGFSA-N	446.290	4.659	50	40	IJGB	
CCc1cccc(CC)c1NC(=O)C(=O)N/N=C/c1cccc(OCc2ccc(F)cc2)c1	408609077	JIKVUIUXDOBVDG-LQKURTRISA-N	447.510	4.618	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)cc1	408743293	RYQHOZGEEWTAPK-BRJLIKDPSA-N	444.318	4.951	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br	408747200	KJVIBPZBOPHDKO-SXGWCWSVSA-N	431.717	4.891	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(Br)c1O	408748328	BYXXBFZJNWIOJG-DNTJNYDQSA-N	432.101	4.624	50	40	IJGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1	408967517	SZURYYTVLFADLN-WQRHYEAKSA-N	445.466	4.825	50	40	IJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Br)cc1	409012807	KYTGHDUVJSDWBL-ZVHZXABRSA-N	441.325	4.920	50	40	IJGB	
Cc1cc(-n2c(C)cc(/C=N/NC(=O)Cc3cccs3)c2C)ccc1Br	409198770	KRCZWLAUBLWQBK-WSDLNYQXSA-N	430.371	4.919	50	40	IJGB	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1OCc1ccccc1	1293484	BDOWAGQQSIRUNQ-AFUMVMLFSA-N	447.516	4.658	50	40	IJGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	6075195	VRJNSPTUHYPPJW-ZVHZXABRSA-N	448.972	4.693	50	40	IJGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1	20247151	POPXUULOPSKQQC-DXPRYJPLSA-N	449.963	4.878	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)COc2ccc([C@H](C)CC)cc2)cc(Br)c1O	30822039	ATBSMTKIVHXYAM-GKGMIHAQSA-N	449.345	4.596	50	40	IJGB	
COc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)cc1	33899739	XFWQOGOZHCZQQZ-CPNJWEJPSA-N	429.432	4.685	50	40	IJGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)[C@H](Br)C2=O	100834638	HIUVZFSAJLHFJR-CSMYWGQOSA-N	429.152	4.547	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)c(C)c1	216049187	FDHFHHKHFVWIAH-JFLMPSFJSA-N	440.503	4.907	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409223678	GXUMPFOVSUOBFT-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2	2336382	RHXRRXREDCWMAW-LDADJPATSA-N	434.952	4.900	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	2773981	NTCUMTRFKCTULR-GHRIWEEISA-N	445.431	4.886	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCCCOc1ccccc1Cl	9514076	YUYWTIRRVZCCAA-YDZHTSKRSA-N	441.311	4.930	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3=C(C)C[C@H](C(=O)O)C=C3)c2C)c1	32117146	YMBJZQRBPOLTNQ-UOIFGXKSSA-N	445.519	4.941	50	40	IJGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)Nc1ccccc1	408741301	IGHVGNHDQBGSRK-VBKFSLOCSA-N	430.376	4.841	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)OC)ccc3C)o2)cc1	408745412	RUXYCNNGCXZESI-AQTBWJFISA-N	430.460	4.986	50	40	IJGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(Cl)cc(Br)c1O	409214563	WCDFVWMPTTWINR-FBCYGCLPSA-N	434.142	4.704	50	40	IJGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(COc2ccc(Cl)cc2)c(C)cc1C	648244	XOSMHAFVHCAEFG-JOCHJYFZSA-N	438.911	4.791	50	40	IJGB	
CCCSc1nc(NNC(=O)c2ccco2)c2c3c(sc2n1)CO[C@](C)(CC)C3	2404566	NHXNWEUTAIVPQR-HXUWFJFHSA-N	432.571	4.785	50	40	IJGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccc(SCc2cscn2)cc1	12976239	KKVHXDBVZMYDET-UHFFFAOYSA-N	441.622	4.803	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	13922641	NSQPUMZMRZMDEU-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
C#CCOc1c(I)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC	409392958	OKXLVCZPFVJQBT-NVNXTCNLSA-N	433.220	4.515	50	40	IJGB	
N#CC1=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C(C(=O)CCC2)[C@H]1c1cccnc1	969231	FAGXSGLUEVGTJU-FQEVSTJZSA-N	442.544	4.501	50	40	IJGB	
CCOC(=O)/C(C#N)=C\c1cc(OC)c(OCc2ccccc2F)cc1Br	9762457	NQCFWPSONIAOJN-NVNXTCNLSA-N	434.261	4.646	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)cc1	34687481	VTFKAXLVVYCOOM-OYKKKHCWSA-N	439.309	4.801	50	40	IJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408544020	RJTNHMCUQJKYMC-LWLPBDFMSA-N	443.297	4.870	50	40	IJGB	
CCOc1cc(I)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)c1	408865330	BTUVGGBZSCOAQJ-CXUHLZMHSA-N	446.288	4.798	50	40	IJGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1c(OCC)ccc2ccccc12)c1ccccc1	408979710	OEIVDOSYQHCMHQ-XBIXJXDHSA-N	433.508	4.566	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)[C@H](c1cn(-c3ccccc3)nc1-c1ccccc1)C(C#N)=C(N)O2	2258798	CNQRKVMMPWMMOJ-QHCPKHFHSA-N	436.515	4.990	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](C(=O)O)N2	229974354	HFXTYQITEZRVMW-IZZXSCACSA-N	446.912	4.548	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCC#N)c(Br)c1	408988368	QOAWKCISCXSZSF-ZROIWOOFSA-N	430.689	4.859	50	40	IJGB	
O=C(Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21)Nc1ccccc1	409189826	IZHWUGAYQSONHO-VULFUBBASA-N	430.895	4.697	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCCC)c(OCC)c2)cc1OCC	409318243	VGGBPFHBTHQHOV-UQQQWYQISA-N	426.513	4.602	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OCc1ccccc1Cl	6196165	KOLVYXYVELWLHI-NRFANRHFSA-N	436.899	4.567	50	40	IJGB	
COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCCCOc1ccc(Cl)c(C)c1	13896123	XLYKHZWNOHALKI-FSJBWODESA-N	425.312	4.628	50	40	IJGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	16389963	AOQJJCOCWUOOOJ-AWNIVKPZSA-N	435.705	4.974	50	40	IJGB	
COc1ccc(NC(=O)COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2)cc1	33390319	WXBLNQVNFMQCOK-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCc1ccccc1Cl	40006570	IDTSFOVOSPSLJY-RQRMZWKBSA-N	440.927	4.520	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(F)cc1	408599589	WXZHNIHNBJXCRL-VULFUBBASA-N	430.439	4.809	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3)c(OCC)c2)cc1	408711699	GNSZRYPRYVNJQT-IMRQLAEWSA-N	432.520	4.756	50	40	IJGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ncccn1)c1ccc(Cl)cc1Cl	409122171	YESDAQNKFGMDPU-RMORIDSASA-N	448.291	4.607	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc3c(cc2Br)OCCO3)c1C	9722802	HJWJJQYHRXMHBU-CXUHLZMHSA-N	444.329	4.594	50	40	IJGB	
Cc1ccc(NC(=O)CO/C(=C(\C#N)c2nnc3n2CCCCC3)c2ccccc2)cc1C	12565623	QXLNHKFFJYUALR-YYDJUVGSSA-N	441.535	4.669	50	40	IJGB	
C/C(CC(=O)Nc1cccc(Cl)c1Cl)=N\NC(=O)c1ccccc1Br	13151677	NPWANIXQHCWSMX-LSHDLFTRSA-N	443.128	4.890	50	40	IJGB	
N#C/C(=C/c1cc(Br)c(O)c([N+](=O)[O-])c1)C(=O)Nc1ccc2ccccc2c1	16545834	TWEXGEYWUKGBET-CHHVJCJISA-N	438.237	4.762	50	40	IJGB	
CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)CCCCl)cc3n2)cc1	19639661	KLLFEQBLDHZAAW-UHFFFAOYSA-N	444.004	4.904	50	40	IJGB	
CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1Br	20760705	SLQRICJZXXBTNV-KEBDBYFISA-N	440.135	4.763	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444669	CMVJYRPYBYJGFL-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
CCOC(=O)C1=C(c2ccccc2)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C(C)C)cc1	408605548	MAJVMIKXPHCGCO-JOCHJYFZSA-N	444.560	4.895	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(F)cc1	408710816	MPDSYUSZGBJRCM-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(Br)cc1	408771904	IZMMHKBGGLDQJP-ZVHZXABRSA-N	439.357	4.687	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1	408776051	MRZOKHCJLDIAKF-YYLNTILESA-N	429.545	4.615	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	408799448	ZIQQEJLOFBPGLU-OVCLIPMQSA-N	433.291	4.789	50	40	IJGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1OC	408806603	AKNNOUWVBPWPIV-UUYOSTAYSA-N	429.270	4.533	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(OC)c2)cc1	408865251	CELCYGFCBCNFEA-FYJGNVAPSA-N	444.462	4.757	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)CNc3ccc(C)c(C)c3)o2)cc1Cl	408997152	LEOKOZUYCRSCHR-ZRGSRPPYSA-N	439.899	4.566	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1OCC	409214392	XSJUKDMYBCKKQC-FSJBWODESA-N	437.348	4.647	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl	409214573	WEAZQWGQYGYWDH-LSHDLFTRSA-N	427.740	4.901	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccccc1	409230332	YICKCFDOJOVPHI-AFDUHFSSSA-N	443.478	4.628	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3F)cc2)cc1	409377242	GWRCAOAXYUONTF-RGEXLXHISA-N	429.451	4.697	50	40	IJGB	
N#C/C(=C\Nc1ccc(O)c(C(=O)O)c1)c1nc(-c2ccc(Br)cc2)cs1	2209902	ZFBGPIZFYIBJNP-FMIVXFBMSA-N	442.294	4.953	50	40	IJGB	
COc1ccc(Br)c(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1	3174517	CMTSMSUDQZGNPO-JMKVTYIUSA-N	427.298	4.529	50	40	IJGB	
COCCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)c(C(F)(F)F)c2)c1C	3324131	CNGQFVVREYTORG-OQLLNIDSSA-N	426.822	4.863	50	40	IJGB	
CCc1ccc(OCCCOc2ccc(/C=N/NC(=O)c3ccccc3)cc2OC)cc1	9553615	ZSSOVDFDOPBRBB-ZXVVBBHZSA-N	432.520	4.869	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3n2)ccc1Oc1ccccc1[N+](=O)[O-]	59475421	UJJVFXLSECLUET-MFKUBSTISA-N	442.431	4.708	50	40	IJGB	
O=C(N/N=C\c1ccccc1OCc1ccc(F)cc1)C(F)(F)C(F)(F)C(F)(F)F	100303811	VTHXNSFESJTMKX-WPDGFUPNSA-N	440.290	4.688	50	40	IJGB	
Cc1c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(F)cc1	408586019	AKGUPSQPADTWAG-CCVNUDIWSA-N	443.478	4.559	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl	408799398	YXYDNGJOXHYFPY-VIZOYTHASA-N	433.291	4.708	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1OC(=O)c1ccccc1	408880314	JGNWACASPVDNKJ-DHRITJCHSA-N	443.286	4.985	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3C)c2C)c(OC)c1	408882587	RKTJJQRJVHJRKV-YDZHTSKRSA-N	443.547	4.952	50	40	IJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(C)c1	408906103	AMKCADZSXJYEFK-MFKUBSTISA-N	435.480	4.953	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3)c2)c(C)c1	409272501	QSBHOHNVKYTGTK-KGENOOAVSA-N	425.488	4.867	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1C	409272510	ZHZIMHNUSGRCFR-XSFVSMFZSA-N	441.487	4.572	50	40	IJGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1cc2ccccc2cc1O	13785643	SUFZQGGBNJKKGL-BRJLIKDPSA-N	430.291	4.987	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)cc3)c2C)c(OC)c1	408881650	JUVSVYRWYXKHPC-LPYMAVHISA-N	429.520	4.643	50	40	IJGB	
Cc1c(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(Cl)nn1-c1ccccc1	408894524	QZSPVWACEZALER-FOKLQQMPSA-N	433.364	4.871	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1	408897627	ZBNHUQJZSHLLDL-GXDHUFHOSA-N	448.391	4.626	50	40	IJGB	
COc1cccc(/C=N\NC(=O)c2ccc(Cl)cc2)c1OCc1ccc([N+](=O)[O-])cc1	409083282	SGUHPEJILPPMSO-CFRMEGHHSA-N	439.855	4.600	50	40	IJGB	
COc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1OC	409366407	UXAVPHMMFFTSHA-WYMPLXKRSA-N	433.291	4.963	50	40	IJGB	
COc1ccc(C=NNC(=O)c2ccncc2)cc1CSc1nc2ccccc2s1	15979548	MRXBGFJPRIUPTD-UHFFFAOYSA-N	434.546	4.756	50	40	IJGB	
COc1cc(/C=N/NC(=O)COc2ccccc2)ccc1OCc1cccc2ccccc12	408527285	LRFUEJBDOIXIEM-OGLMXYFKSA-N	440.499	4.957	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)CCSc1ccc(Cl)cc1	408719361	CKEXJIQFBHPRBB-RGVLZGJSSA-N	427.751	4.744	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1	408845018	DVDHJALVODTQBK-JCMHNJIXSA-N	438.531	4.850	50	40	IJGB	
N#CC1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1	714155	LAHIYSBLWUGZGM-GOSISDBHSA-N	444.329	4.954	50	40	IJGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1cccc(F)c1	3661514	DVSAVSNBAOETGE-LQKURTRISA-N	441.462	4.647	50	40	IJGB	
O=C(N/N=C/c1cccc(OCCOc2ccc(Br)cc2)c1)c1ccccc1	13894029	RAWNHOAYFPUQDR-LFVJCYFKSA-N	439.309	4.671	50	40	IJGB	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(CN2CCc3ccccc3C2)cc1	20076146	SAUSMCSZDDUUJW-CVKSISIWSA-N	448.364	4.771	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)c1	408786793	NTIOHADTEQCLAM-ATVHPVEESA-N	430.420	4.726	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1cccc(C)c1	408964188	BRZKLWPLHNNWRG-RWPZCVJISA-N	431.467	4.747	50	40	IJGB	
O=C(Oc1c(/C=N\NC(=O)c2cccc3ccccc23)cccc1[N+](=O)[O-])c1ccccc1	409218365	IJHSSFCYZOVUTP-QQXSKIMKSA-N	439.427	4.731	50	40	IJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccccc1	409238059	KCHINWQJYRTAIW-NLKUQUHMSA-N	426.472	4.748	50	40	IJGB	
O=C(N/N=C/C1=C(Sc2nc3ccccc3o2)CCCC1)[C@H]1COc2ccccc2O1	3191353	DUYZGTGODIBWMR-FINLKQIMSA-N	435.505	4.690	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2cc(C)nc3c(C)cccc23)c(O)c1	8400297	DRIMBFVGDWORDH-AFUMVMLFSA-N	436.581	4.646	50	40	IJGB	
COCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2csc(-c3ccc(C)cc3)n2)c1C	12569117	CSPWCFVSRULLRZ-CIAFOILYSA-N	435.549	4.834	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)Nc1ccc(F)cc1	33438428	JIKKFMIIXWQDRB-RGEXLXHISA-N	429.451	4.697	50	40	IJGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2Cl)N2C(=N1)SC(C#N)=C2N	408609069	YJMTYSLJYVRRBE-MRXNPFEDSA-N	437.352	4.722	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1	408811768	LWZLXJPDRPWRGJ-ODLFYWEKSA-N	431.448	4.704	50	40	IJGB	
O=C(CNC1CCCCC1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409381218	SJLSAFHWGTWBSZ-LGJNPRDNSA-N	434.367	4.945	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1	1302296	PPDSAYPUDBZMMN-SSDVNMTOSA-N	434.352	4.514	50	40	IJGB	
COc1cccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c1OCc1ccccc1	8424527	BWYAGEKERVFOQB-RCCKNPSSSA-N	447.498	4.978	50	40	IJGB	
Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c(C)c1	13141269	NLELROLRQPHISI-ZVHZXABRSA-N	441.940	4.522	50	40	IJGB	
C/C(=N\NC(=O)CNC(=O)C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1	14920121	NPUMSGFBRWGQAQ-TWKHWXDSSA-N	435.527	4.628	50	40	IJGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	58913196	HSXMOTIIYZAPBW-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
COc1cc(/C=N/NC(C)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl	59536010	FJTAWQYVSWWOQC-ODCIPOBUSA-N	446.128	4.814	50	40	IJGB	
C#CCOc1c(CC=C)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1OCC	108126432	IVOFAUJXLHHPNS-MTDXEUNCSA-N	442.515	4.752	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1C#N	408800849	RKZQXQIAAUPJDZ-LUMUHCBBSA-N	429.520	4.748	50	40	IJGB	
CCc1ccccc1NC(=O)N/N=C\c1ccc(OCc2cccc(C(=O)O)c2)c(OC)c1	408828016	VOCNVVBCSHEFDI-YSMPRRRNSA-N	447.491	4.690	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCc3ccccc3)c(OCC)c2)ccc1OC	409331103	CMVPGUFDGCLMCY-PKAZHMFMSA-N	448.519	4.836	50	40	IJGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3C(F)(F)F)=C2C#N)cc1	639240	LZUUIGWFNDMQRN-OAHLLOKOSA-N	445.466	4.724	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(=O)O)cc3C)c2C)cc1	1082498	WOSWRNODWNLKHH-DEDYPNTBSA-N	429.476	4.655	50	40	IJGB	
C/C(C[C@H]1C(C#N)=C(N(C)C)N(c2ccc([N+](=O)[O-])cc2)c2c1n(C)c1ccccc21)=N\O	12362659	WANQCCZFLAKNDW-CRXVIZHGSA-N	444.495	4.859	50	40	IJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1C	13095858	JLZDCWJKVGPOSU-RQZCQDPDSA-N	442.445	4.660	50	40	IJGB	
COc1ccc2ccccc2c1/C=N/NC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1	16185218	KUQAXEMGOIXWNW-WPWMEQJKSA-N	439.471	4.730	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(C(C)C)cc3)c2C)cc1C	58912826	URCCORYBCHQCIF-JFLMPSFJSA-N	430.552	4.923	50	40	IJGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C4SCCS4)cc3)o2)cc1	408567027	CHMLOSMDXXNENU-AFUMVMLFSA-N	449.557	4.826	50	40	IJGB	
N#C/C(=C/c1ccc(O)c(I)c1)c1ccc(Br)cc1	408904846	PLSXMOFTIHWGMG-GHXNOFRVSA-N	426.051	4.823	50	40	IJGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)SCCS1	409364761	PFVMTOLXMKEDGO-YBFXNURJSA-N	425.373	4.746	50	40	IJGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	919052	SXWRVXFQZGIJHH-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
Cc1cc(/C=N/NC(=O)OC(C)(C)C)c(C)n1-c1ccc(I)cc1	3245702	CEMBFJZGUVLAKP-RGVLZGJSSA-N	439.297	4.557	50	40	IJGB	
COc1ccccc1OCC(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	28216356	XQRDUPMKXBAIQH-BRJLIKDPSA-N	446.334	4.939	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2cccs2)ccc1OCc1ccccc1C#N	59534300	SCXGRONUPKZDAJ-CIAFOILYSA-N	443.528	4.821	50	40	IJGB	
COc1cccc(CC(=O)N/N=C\c2ccc(-c3ccc(C)cc3Br)o2)c1	409245869	ADJVKJRQVAGKLV-QRVIBDJDSA-N	427.298	4.719	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)ccc1OC(C)C	809393	RYMFCYZPCBSXON-QHCPKHFHSA-N	430.508	4.503	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1	1086975	RQRVJXMSVSOXRD-MFKUBSTISA-N	442.401	4.935	50	40	IJGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1C	59101828	JSVKSWFZEWHXKD-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCC(=O)OCC	59335747	XWJKHWRVIOCQRB-STZFKDTASA-N	448.519	4.610	50	40	IJGB	
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)c1	408745943	BDNMBTDOWDZDQK-MTJSOVHGSA-N	447.922	4.758	50	40	IJGB	
Cc1cc(C)c(-n2c(C)cc(/C=N/NC(=O)CSc3nc(C)cc(C)n3)c2C)c(C)c1	409242549	OLZZEFKFYFOTMY-BRJLIKDPSA-N	435.597	4.669	50	40	IJGB	
COc1ccccc1OCCn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c2ccccc21	781397	PXMVHXMJVWCZIQ-XDJHFCHBSA-N	441.487	4.545	50	40	IJGB	
CCOP(=S)(OCC)Oc1cc(CC(C)=O)nc(-c2ccc(C)c(Cl)c2)n1	2559263	VWCPDJRNBJSJMB-UHFFFAOYSA-N	428.878	4.913	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)N1CCN(c2ccccc2)CC1	59332884	SNSCNQQYBBDHHY-QJOMJCCJSA-N	441.506	4.660	50	40	IJGB	
CCCC[Sn]1(CCCC)OO[C@H](c2ccc(C(=O)OCC)cc2)O1	195999628	YZXNSKQTTUJCDE-FYBBWCNBSA-M	443.128	4.883	50	40	IJGB	
Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccc(F)cc1	408590287	OOFLGMVPKNKZOJ-UVHMKAGCSA-N	429.451	4.630	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408745728	VFHMEPRSOBCVGP-DHDCSXOGSA-N	429.701	4.969	50	40	IJGB	
Cc1cc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)c(C)n1-c1cccc(Cl)c1	408758359	JFCFAEYFKVIAFH-SGACVQRTSA-N	440.938	4.955	50	40	IJGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1OCC	408834978	VRWVIAVMBHWYMP-MHWRWJLKSA-N	442.899	4.866	50	40	IJGB	
Cc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1C	409262084	DXAHOQZGEVDRTA-QNGOZBTKSA-N	425.488	4.867	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2)c(C)c1	409328110	ZIHJJJVLIRIMHW-KRWDZBQOSA-N	425.941	4.667	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	948751	JIYPZAVSQUPJIL-CPNJWEJPSA-N	427.416	4.668	50	40	IJGB	
O=C(N/N=C/c1cccc(Br)c1)c1cccc(NC(=O)c2ccc(F)cc2)c1	1052502	UYAGJZSXCMJRDN-ZMOGYAJESA-N	440.272	4.604	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Br)cc(Cl)c1OCC	20760967	PKUZVPOJOUXHPD-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
O=C(NNC(=O)c1ccc(-c2ncc(C(F)(F)F)cc2Cl)cc1)Nc1ccccc1	22873000	MODLVUXYCZJCDV-UHFFFAOYSA-N	434.805	4.887	50	40	IJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)cc1	33352739	FZRRUAJSHNOUJP-VKAVYKQESA-N	437.565	4.805	50	40	IJGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)Nc2nccs2)cc1Cl	408706930	FIJOIAAQOCOMRO-AUEPDCJTSA-N	448.335	4.591	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)Nc3cccc(Br)c3)o2)cc1C(=O)O	408854604	JEFUCRJSKOGNET-JJFYIABZSA-N	442.269	4.871	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)NC1CCCC1	409190395	YFGQAFJTOGJQFD-AQTBWJFISA-N	425.326	4.994	50	40	IJGB	
C#CCOc1ccc(Br)cc1[C@@H]1C(C#N)=C(N)Oc2c1ccc1ccccc21	2143405	OGAXBYPOPQRRBM-OAQYLSRUSA-N	431.289	4.832	50	40	IJGB	
COc1ccc(CN2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	20348113	VDZYUFNKTKIBFL-IBGZPJMESA-N	425.941	4.564	50	40	IJGB	
N#C/C(=C1\OC(=O)C(c2ccc(Br)cc2)=C1O)c1ccc(Br)cc1	31818315	GWAWAPZOGFVAHO-SAPNQHFASA-N	447.082	4.972	50	40	IJGB	
O=C(CCCCCCCCC(=O)N/N=C\c1ccc(F)cc1)N/N=C\c1ccc(F)cc1	31879870	MBAYKYNITYAXIA-HJTNQMAYSA-N	442.510	4.686	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(C(=O)O)cc1	408743402	STJHNKSNHVLIBZ-STZFKDTASA-N	442.471	4.908	50	40	IJGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1OC	408754175	DUGRDIWLKAOHNU-DHDCSXOGSA-N	443.297	4.605	50	40	IJGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1ccccc1OCc1ccc(F)cc1	408764119	RSFSSOSTKYATNE-DHRITJCHSA-N	435.480	4.788	50	40	IJGB	
CCc1ccccc1N(CC(=O)NN=C1CCCCCCC1)S(=O)(=O)c1ccccc1	408829163	KVSQKMNLZWAQCM-UHFFFAOYSA-N	441.597	4.661	50	40	IJGB	
CN1C(N)=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C2=C1CCCC2=O	409140448	FGKIUAMBYFPDDS-QFIPXVFZSA-N	437.902	4.788	50	40	IJGB	
CCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1	409312308	FMTYWZSWPUCDEJ-UCQKPKSFSA-N	449.345	4.799	50	40	IJGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c2ccccc2n1	2089817	YWYSBIFSAHVXJV-WGOQTCKBSA-N	440.459	4.973	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(C(F)(F)F)c2)NC(=O)C[C@H]1c1ccccc1F	12276885	UHUIVKXGGGGLEH-HNNXBMFYSA-N	449.429	4.555	50	40	IJGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	13011551	OGYNIZLWOJJONC-UHFFFAOYSA-N	437.714	4.775	50	40	IJGB	
Cc1ccc(C)c(OCCn2cc(/C=C(/C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)c1	13124092	KIWJGDMDRPTPRV-FQWPPLDYSA-N	443.547	4.539	50	40	IJGB	
Cc1cc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c(C)n1-c1cccc(Cl)c1Cl	58853061	OYTHOMMBSNRJKN-UEAIBJGASA-N	444.318	4.691	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444667	BSSCSHABINQODI-DHRITJCHSA-N	442.302	4.661	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCC(=O)Nc1ccc(F)cc1	408541348	GABHZVIARPRCHQ-UNOMPAQXSA-N	446.434	4.614	50	40	IJGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)cc1	408592381	XXTHYSXAJKZDFB-OGLMXYFKSA-N	445.563	4.871	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3Cc4cc(C)c(C)cc4C3)cc2)ccc1O	408729237	CYKOJPVRBUHLEU-MZJWZYIUSA-N	429.520	4.692	50	40	IJGB	
N#C/C(=C/c1ccc(I)o1)C(=O)Nc1ccc(Cl)cc1Cl	408752575	BVZAJDQVUWUWPL-YVMONPNESA-N	433.032	4.737	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408757665	BKIJYDKSWQPMSQ-HKWRFOASSA-N	432.501	4.617	50	40	IJGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21	408781626	DADVXPLMVYYEMZ-JYRVWZFOSA-N	428.275	4.667	50	40	IJGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	408962532	YYOLZHCXTSVSMH-UVHMKAGCSA-N	442.393	4.747	50	40	IJGB	
CCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1OC	409311857	BZGHOCOWNDDHCG-OYKKKHCWSA-N	434.920	4.699	50	40	IJGB	
C/C(=N\NC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccc(-n2ccnc2)cc1	9403703	VEICPMHOEAAXRG-UXHLAJHPSA-N	432.487	4.637	50	40	IJGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC	13893427	DBBHROISBDRMMG-LDADJPATSA-N	443.341	4.512	50	40	IJGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(F)cc1	34765139	BSBCVBOKDJWTCW-WQRHYEAKSA-N	447.422	4.824	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3C)c2C)c(C)c1	58913180	KAGWGMDFOZFJLN-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c1C	59379252	YVQCIIJMHWNJLW-VULFUBBASA-N	435.911	4.625	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1	59921752	YAAPZSBONGPSJT-ZMOGYAJESA-N	439.855	4.600	50	40	IJGB	
COC(=O)c1cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(C(=O)OC)c1	100870256	SGYHVUMAKLQVMR-LDADJPATSA-N	433.489	4.668	50	40	IJGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)c(C)c(Br)c2)c(C)c1	216046771	RVIUHCAVPVPDRA-FBHDLOMBSA-N	438.163	4.830	50	40	IJGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1cc2cc([N+](=O)[O-])ccc2o1	408967166	SWMKWLQYNQEQLI-DHRITJCHSA-N	433.395	4.823	50	40	IJGB	
CCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1	2887413	YNEJDKDGXGDGPF-VLAPBQICSA-N	432.520	4.871	50	40	IJGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccc(OCc4ccccc4)cc3)c2[C@H]1c1ccc(O)cc1	9291743	UGSABVWZIAMNBM-QFIPXVFZSA-N	436.471	4.579	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OC(=O)c3ccc([N+](=O)[O-])cc3)c2)c(Cl)c1	10060126	JBYBZBIWJVYDRA-ZMOGYAJESA-N	437.839	4.540	50	40	IJGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(C)noc3C)cc2)cc1	39969525	RROCPUFVWHYXKF-MOSHPQCFSA-N	445.475	4.593	50	40	IJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1Br	408542443	LPQFYZDEEPBPDF-YBEGLDIGSA-N	442.313	4.539	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)o2)cc1Cl	408743992	DAFGCIXSOLJEGP-PTNGSMBKSA-N	436.851	4.941	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408744949	IQHSMTRDHPUFOA-ZROIWOOFSA-N	445.700	4.669	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cc([N+](=O)[O-])ccc1O	409040545	GORUTNDOZRLPEU-CVKSISIWSA-N	441.443	4.797	50	40	IJGB	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2cc3cc(C)cc(C)c3nc2Cl)C(C#N)=C(N)O1	898861	DBHMOGXVRKOCLP-GOSISDBHSA-N	425.916	4.928	50	40	IJGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)C(C#N)=C(N)O2	2288874	IHOWYTOTYWZSRB-VWLOTQADSA-N	434.499	4.978	50	40	IJGB	
O=C(CCCCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21	3064339	IYKDEELRAQLDGC-NKFKGCMQSA-N	425.699	4.807	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1	8842875	OPTFPJYNVCUPER-UNOMPAQXSA-N	429.476	4.767	50	40	IJGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(F)cc1	13597047	ZCHKPXMCOWLQGK-PKAZHMFMSA-N	432.524	4.856	50	40	IJGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc(Br)c2)o1	408591198	RXUNXXWZKKDKJG-ZMOGYAJESA-N	449.308	4.967	50	40	IJGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1Cl	408791000	SHQHUARKLAZXED-OQLLNIDSSA-N	431.275	4.890	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)c(Br)c1	409223214	DMRIPFNHVJFUKJ-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	954229	VYGBCPIYUVRJLC-OQLLNIDSSA-N	440.322	4.748	50	40	IJGB	
C=CCOC(=O)C1=C(C)NC(SCC(=O)c2ccccc2)=C(C#N)[C@H]1c1cccs1	20029011	JOYOWRYCZKBGBG-NRFANRHFSA-N	436.558	4.789	50	40	IJGB	
N#Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccccc2Br)cc1	20760598	GAWFEKNDYDBYDO-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C	408591871	VUBUYGXXHDFWDI-WYMPLXKRSA-N	440.887	4.737	50	40	IJGB	
CC(=O)c1ccc(-c2ccc(/C=N\NC(=O)C(O)(c3ccccc3)c3ccccc3)o2)cc1	408749003	DKJIIPICPYVKSN-VEILYXNESA-N	438.483	4.535	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)cc1C	408777254	XKIJMHZUGVOZKO-UHFFFAOYSA-N	435.634	4.846	50	40	IJGB	
COc1cc(/C=N\NC(=O)c2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1	408963825	AHQAEQSZJPUVMP-ROTLSHHCSA-N	430.291	4.740	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)cc2c1	409187624	SPGVYGWGUNUBIR-CFRMEGHHSA-N	449.419	4.772	50	40	IJGB	
CCC(=O)Nc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2)cc1	409218736	KDKLNZZWVQBUAB-YSMPRRRNSA-N	449.894	4.672	50	40	IJGB	
O=C(OC[C@@H]1CO[C@@](CBr)(c2ccc(Cl)cc2Cl)O1)c1ccccc1	1253776	OXUPOIXSQGXRGF-RDTXWAMCSA-N	446.124	4.814	50	40	IJGB	in-vitro
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3c(C)cc(C)cc3C)=C2C#N)cc1	3248441	ZLVKHXOFTMLHJM-HXUWFJFHSA-N	449.576	4.721	50	40	IJGB	
O=C(CC1CCCCC1)NNC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	13039352	FCZPKQUNXWLWCO-UHFFFAOYSA-N	441.531	4.732	50	40	IJGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)c1	408962631	IPWQYOGYXHMHSO-AFUMVMLFSA-N	429.432	4.992	50	40	IJGB	
Cc1[nH]nc2c1[C@@H](c1ccc(OCc3ccc(Cl)cc3)c(Cl)c1)C(C#N)=C(N)O2	409140812	FXUJQHJFBSQVOL-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
COc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409375179	GTUHBCCFPCNJLT-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
CCCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(Br)ccc1OC	8812832	FKTDNPOIVDTHLA-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Br)cc4)CC(=O)N3C2)cc1	9693415	VGVAKJJKEHLMQS-GOSISDBHSA-N	440.366	4.977	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	33586376	NHOFFHBMLLLUKR-CVKSISIWSA-N	442.475	4.928	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)cc1	408743582	GVOYSXMZJXCFRQ-QINSGFPZSA-N	433.420	4.808	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)NCc3ccccc3)cc2)cc1C	408791900	DZYZXSKYCMZZST-HZHRSRAPSA-N	439.515	4.544	50	40	IJGB	
C/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408873036	QZHBWZPHDKLCOT-AFUMVMLFSA-N	436.855	4.655	50	40	IJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(Br)c(Br)o1	408955737	YVZUKYCPYKJMAA-KMKOMSMNSA-N	446.102	4.813	50	40	IJGB	
COc1ccc([C@@H](CC(=O)O)CC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1	1565437	XEUCKWKLQOMGHT-GOSISDBHSA-N	438.351	4.811	50	40	IJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1C	4047952	GKYASORTMDPGRW-VUTHCHCSSA-N	437.543	4.789	50	40	IJGB	
C/C(=N\NC(=O)CN1CCCCC1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917266	BUSIQTJPOUYRFY-AKBALMBVSA-N	446.570	4.978	50	40	IJGB	
NNC(=O)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	226341640	OFJSVUFROIGZRL-CMDGGOBGSA-N	431.717	4.838	50	40	IJGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408794114	HNWYOWKIUILKMI-WOJGMQOQSA-N	448.862	4.868	50	40	IJGB	
O=C(CCC(=O)OC(CCl)CCl)Nc1ccc(Cl)cc1C(=O)c1ccccc1	8455799	DFIWFMTYUIQWBY-UHFFFAOYSA-N	442.726	4.679	50	40	IJGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	16481059	IEIBGDDFNOUQQV-CLCOLTQESA-N	446.554	4.945	50	40	IJGB	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1c(F)c(F)c(F)c(F)c1F	28335631	VFTPYSKNZSKOLV-UHFFFAOYSA-N	433.789	4.845	50	40	IJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2I)cc1	33406892	QSDSEAMAEPWQTK-SSZFMOIBSA-N	445.304	4.683	50	40	IJGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)C(=O)NC3CCCCC3)c3ccccc32)c1	207053305	DUIHFHQTEFNNSG-QNGOZBTKSA-N	441.531	4.832	50	40	IJGB	
C/C(=N\NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1	408772793	MZLKZINRWLSYLG-KVYREEOHSA-N	443.572	4.923	50	40	IJGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)c1	408940149	ODQZDAQZMLYXTB-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409004434	CWFYLRQCRLIFBP-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
CCOC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	2271940	QLTRBTAKJSSPKJ-GHRIWEEISA-N	431.404	4.577	50	40	IJGB	
COc1cc(SC#N)ccc1N/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C	8425528	OTCLWDGEQSQNEN-YBEGLDIGSA-N	443.326	4.749	50	40	IJGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C#N)cc2)cc1	10475938	SBJOFFSEJQVKLM-LQKURTRISA-N	447.922	4.882	50	40	IJGB	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	13128527	YWQIGAMYIFOFPL-UHFFFAOYSA-N	439.515	4.554	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(Br)c(Cl)c1O	408818999	ZIWOLPJLXCYPGK-NKVSQWTQSA-N	437.677	4.717	50	40	IJGB	
Cc1cc(/C=N\NC(=O)c2ccccc2[N+](=O)[O-])c(C)n1-c1ccccc1Br	409001950	RFLOOTQRSONALF-UUYOSTAYSA-N	441.285	4.529	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)cc2c1	409187108	MEFKTOXXOIVQJW-QFEZKATASA-N	446.463	4.911	50	40	IJGB	
O=C(CNc1ccc(Br)cc1Br)NN=C1CCCCCCC1	1434376	OHPXUSDKSFBLGN-UHFFFAOYSA-N	431.172	4.840	50	40	IJGB	
Cc1ccc(Cl)cc1N1C(N)=C(C#N)[C@H](c2ccc([N+](=O)[O-])s2)C2=C1CCCC2=O	12462357	ODXWBLSUCMBRGU-LJQANCHMSA-N	440.912	4.923	50	40	IJGB	
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	16735974	HDFQNBSJDVEZAO-XDJHFCHBSA-N	436.471	4.649	50	40	IJGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	36020370	OLBOEAANAYJNIA-ZMOGYAJESA-N	427.501	4.543	50	40	IJGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC(=O)c2cccs2)c(OC)c1	57398538	NLYVDVQKVLOBQE-VBKFSLOCSA-N	434.473	4.530	50	40	IJGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc(Br)cc2)cc1	83315178	PYLKPLMLGXNAJH-QFEZKATASA-N	441.300	4.860	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccccc1Br	408755376	KYEVWZSEDXALHI-ZMOGYAJESA-N	449.308	4.668	50	40	IJGB	
COC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	408788293	JLLVCIIWFUKNGL-WUXMJOGZSA-N	439.682	4.744	50	40	IJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	409160304	UBKURANVLIKRTJ-AFUMVMLFSA-N	440.883	4.780	50	40	IJGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	881006	HDPHTFCLSMZJMY-SSDVNMTOSA-N	433.689	4.892	50	40	IJGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC(C)=O)cc3)cs2)cc1	17306478	ZIFLJYGKNKBMCB-QGOAFFKASA-N	433.489	4.889	50	40	IJGB	
CCn1c(SCC(=O)N/N=C\c2ccccc2C(F)(F)F)nnc1-c1ccc(C)cc1	30750207	BJZIXTMCUPATNT-ROTLSHHCSA-N	447.486	4.535	50	40	IJGB	
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)N1CCN(c2ccccc2)CC1	59333348	DTUMYQMBOBGZMV-NKFKGCMQSA-N	441.506	4.660	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)N(C)C)cc(Br)c1OCc1ccccc1Cl	59333635	DPEKXHIWHLNEHG-OVCLIPMQSA-N	449.732	4.685	50	40	IJGB	
CCCCCCCCC(=O)N/N=C(\C)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1	97965598	BQAMLBYWWHGLSW-IUFNIBNKSA-N	441.572	4.883	50	40	IJGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cccc(C(F)(F)F)c1	408827881	HIVXAJRWJHLQAN-LSFURLLWSA-N	431.277	4.851	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc(C)n(-c2ccccc2)c1C	12624522	UQKONZBFFKVCAK-YDZHTSKRSA-N	426.314	4.629	50	40	IJGB	
Cc1nn(C)c(C)c1/C=N/NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	21187794	POWAZQCMVKEIGP-FSJBWODESA-N	435.578	4.703	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1	59272225	UCMNFCAEVFRADN-OQLLNIDSSA-N	445.313	4.799	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(C(=O)O)cc1	408776611	XGFMZWKDMOYDRP-XKZIYDEJSA-N	448.519	4.523	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(Br)cc1OC	408964425	RLLBYRHNXOBXKG-AUEPDCJTSA-N	445.235	4.639	50	40	IJGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)c3ccccc32)cc1	409227453	YPBAISPNUPXERG-CVKSISIWSA-N	426.476	4.599	50	40	IJGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1	9630827	XNCVPDMKJWUVKF-PMFZIYJTSA-N	445.544	4.621	50	40	IJGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)NCc2ccccc2)cc1	26966527	YZUWDFNEEJPAOA-CJLVFECKSA-N	434.499	4.771	50	40	IJGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1	33849961	DPVCLPDSXDCCTK-FOKLQQMPSA-N	449.444	4.840	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	408798617	WGZFFJXSBXZBFN-XSFVSMFZSA-N	428.444	4.518	50	40	IJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1	409007648	YQYHGPXVWDTSFP-WYMPLXKRSA-N	438.742	4.649	50	40	IJGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1OC	985831	GBASLFKGRHMFFN-OAQYLSRUSA-N	430.508	4.511	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	9907390	JQVBQTQUQAIZON-WOJGMQOQSA-N	447.422	4.867	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(C#N)cc3F)o2)c(Br)c1	33295584	JLEKTTNDZUJUCQ-MYKKPKGFSA-N	426.245	4.792	50	40	IJGB	
Cc1ccc(N(CC(=O)NN=C2CCCCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1	58927523	QCBNSRIZFAUGPT-UHFFFAOYSA-N	445.560	4.546	50	40	IJGB	
Cc1ccc(C(=O)[C@H](Br)[C@@H](Br)c2ccc([N+](=O)[O-])cc2)cc1	98042963	SSQDRHZJNOWMOD-LSDHHAIUSA-N	427.092	4.986	50	40	IJGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3OC)c2C)cc1	223176010	ODBADQXYEXZEMU-STZFKDTASA-N	443.503	4.743	50	40	IJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OCc2ccccc2)cc1Br	408799976	MGAMQDPAVRYUNM-ZNBBLSJYSA-N	443.341	4.858	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCCc1c[nH]c2ccccc12	408953878	QHEQIISKHUFEHT-GHRIWEEISA-N	426.432	4.602	50	40	IJGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2ncnc(N)c12	408972896	HLKRYSNWMLZNPI-JRXWSOMVSA-N	446.319	4.913	50	40	IJGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1ccc(-c2ccccc2)cc1	6446842	FJVIEBYQSPHLAW-JOCHJYFZSA-N	434.455	4.691	50	40	IJGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(Br)cc(Cl)c2O)cc1	10058875	RWDIIVIALSODQG-SKKJWADRSA-N	439.737	4.851	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC	15230803	QKAOPIWPQHVBCU-SXGWCWSVSA-N	439.899	4.930	50	40	IJGB	
COc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCc1ccc(Cl)cc1	33556600	YVYWBRRTQQNYEU-AWNIVKPZSA-N	437.746	4.883	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OCC)c1O	39940410	FCKVRWQETYXJLZ-FMCGGJTJSA-N	443.297	4.792	50	40	IJGB	
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C	118935706	LULGNBXHOOJRRU-WBIUVFFSSA-N	441.395	4.988	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1)C(=O)NC1CCCCC1	408709332	ZTOYHFAHKNSULH-ZMOGYAJESA-N	433.339	4.636	50	40	IJGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408797225	BYGOUXWFCUXUBM-XNTDXEJSSA-N	429.701	4.969	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cn1	409238733	FLGQEMUCTRNOKG-BKAYVGFPSA-N	444.447	4.575	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1OCc1ccccc1	409246052	DEPIGXBOXAOCQK-ULJHMMPZSA-N	426.516	4.930	50	40	IJGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1	409366003	XIVLFCBYBCPLRV-IWIPYMOSSA-N	448.435	4.551	50	40	IJGB	
Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4c3c(C)nn4-c3ccccc3)c(Cl)nc2c1	649907	YFIDUMUQMQTJQQ-OAQYLSRUSA-N	427.895	4.909	50	40	IJGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(C(C)C)cc2)c(OC)c1	2888105	NZOWAOVBMFEJIB-VLAPBQICSA-N	430.504	4.647	50	40	IJGB	
C/C(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)=N\NC(=O)Cc1ccc(-c2ccccc2)cc1	16347338	DDOUUOKAWNDQDD-OVVQPSECSA-N	444.491	4.634	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3C)c2C)c1	58913241	COBYKMPAQXFDCB-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1	408814266	OZJGDNQCISTSKZ-NHDPSOOVSA-N	444.560	4.876	50	40	IJGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])o2)c([N+](=O)[O-])c1	408885568	CBOMFDGJPZGQIG-GXDHUFHOSA-N	448.391	4.626	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409209069	FGYPQVPDMGRWRN-SSDVNMTOSA-N	445.884	4.759	50	40	IJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(Br)c(Br)o1	1102241	DCJUYNNAYSSIRF-KEBDBYFISA-N	436.103	4.651	50	40	IJGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(F)cc4)ccc32)cc1	38682123	ZKXHSMBXWDATAD-QFIPXVFZSA-N	432.476	4.985	50	40	IJGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)ccc1Cl	67192537	HFLWECDRSUBCJO-AUEPDCJTSA-N	448.262	4.999	50	40	IJGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)c1	408996210	LLCSKBPOPXIMCY-YUMHPJSZSA-N	425.488	4.798	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Nc1ccc2ccccc2c1	1092193	BBCAYZJNSDZIMJ-JMKVTYIUSA-N	426.314	4.562	50	40	IJGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	59333997	HUOBUNBEJKPGPB-AUWJEWJLSA-N	437.696	4.816	50	40	IJGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	83301814	PABYZRPXJGATLQ-RPUKTSEFSA-N	432.520	4.628	50	40	IJGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccccc1OCCOc1ccccc1	3371163	ZGUQGABIPSNWEI-JVWAILMASA-N	428.410	4.927	50	40	IJGB	
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NNC(=O)c1ccccc1F	8747887	QNOAYYRINCPCNR-UHFFFAOYSA-N	447.491	4.701	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OCc1ccccc1	9614423	BCOYXWIBVZIBDM-JVWAILMASA-N	432.520	4.810	50	40	IJGB	
CC(C)c1ccc([C@H]2[C@@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	35342713	WBPJOHJTCZOJLN-FTJBHMTQSA-N	433.559	4.736	50	40	IJGB	
COc1ccc(/N=C\c2ccccc2O)cc1P(=O)(c1ccccc1)c1ccccc1	101526012	RMIAPUBWRHLUJR-DIBXZPPDSA-N	427.440	4.791	50	40	IJGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O	113481645	GFAJFEODGXGRPV-MRXNPFEDSA-N	443.315	4.729	50	40	IJGB	
Cc1cc(/C=N\NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409202548	RGUKBEWZYVNXGO-FMCGGJTJSA-N	442.928	4.898	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C\c2ccccc2OCc2cccc(F)c2)cc1OC	409330441	AGHRXPPBMIXUBX-YUMHPJSZSA-N	436.483	4.966	50	40	IJGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	9057341	ADBKLJBWMSFYEU-RVDMUPIBSA-N	432.392	4.926	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(O)(c3ccccc3)c3ccccc3)c2C)cc1	9934869	IRPWFKYMQXZUBJ-VUTHCHCSSA-N	437.543	4.789	50	40	IJGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)COc3ccccc3)c2C)c1	20243703	BJOKNPSCFLCWII-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1	409254472	DLPRJVIETNZSPX-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)[C@H](O)c1ccccc1	409344859	JJXIOOBRBPDGFE-RNRKLAHPSA-N	429.303	4.756	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)cc1	2962835	OHPXHDCQRPWRLO-KGENOOAVSA-N	442.471	4.908	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)c(Br)o2)cc1	8964365	CDZJTFWSTQXJGQ-YFHOEESVSA-N	440.091	4.749	50	40	IJGB	
Cc1occc1C(=O)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21	102455829	JSKMTRFXBMQIEL-LYBHJNIJSA-N	428.275	4.576	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2cccc([N+](=O)[O-])c2)c1	408868776	BGVPLEMDNSVETA-LDADJPATSA-N	447.422	4.867	50	40	IJGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1	409158980	MEQXUARKURPOFX-FSJBWODESA-N	427.298	4.855	50	40	IJGB	
Cc1ccc(OCCn2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c3ccccc32)cc1C	872812	PVIOAMSCDGCXBW-INJUALFYSA-N	443.547	4.539	50	40	IJGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Br)cc3)c2C)cc1	9203574	XRGLZPCCYTWFLJ-ZVHZXABRSA-N	440.341	4.558	50	40	IJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3=C(C)C[C@@H](C(=O)O)C=C3)c2C)c1	32117145	YMBJZQRBPOLTNQ-IAFWPLRWSA-N	445.519	4.941	50	40	IJGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	33431511	CXJPTEWKQGMLPW-UCQKPKSFSA-N	433.892	4.980	50	40	IJGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)cc1	58900625	QMNDUVOYVQSELB-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1I	408742595	BGJKCKDMUBVFKG-WJDWOHSUSA-N	444.272	4.710	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(Br)c1OC	409050936	DTZMSQVCGNFYHL-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OS(=O)(=O)c2ccccc2)c1C	409074160	YHLMGLCPQJQTQV-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc21	13401598	UITXFVBZZVSNOR-JYRVWZFOSA-N	428.275	4.667	50	40	IJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	58883505	JPEAIAWHROUDSI-WPWMEQJKSA-N	429.520	4.652	50	40	IJGB	
CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Br	408948879	HGTPYUJMEKZVTP-BOPFTXTBSA-N	438.325	4.595	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)C(O)(c1ccccc1)c1ccccc1	409001418	PRGFAHVAXQCAOE-NLRVBDNBSA-N	428.513	4.817	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)Nc3ccccc3C)cc2)cc1	409005564	FGHJVQMVLKXKGR-QNGOZBTKSA-N	425.488	4.867	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1Cl)C(=O)Nc1ccccc1	409261301	COZYASBLRAKOMT-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SCCS1	409364548	NZXVKGIRDVUVGV-VXLYETTFSA-N	425.919	4.545	50	40	IJGB	
OB(O)c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1	1857794497	NYXXZJRKBMUSAX-UHFFFAOYSA-N	428.300	4.824	50	40	IJGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	6149439	VODCVSGIRFKTQK-DTQAZKPQSA-N	431.404	4.577	50	40	IJGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O3)cc1OC	9861023	OABDLBJBAFUOTN-KRWDZBQOSA-N	443.290	4.619	50	40	IJGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(O)(c1ccccc1)c1ccccc1	34714737	CGFBCEWAIVWBBV-BRPDVVIDSA-N	436.511	4.652	50	40	IJGB	
O=C(N/C(=C/N1CCCCC1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	100932749	OXPKHMJWYUNZFT-DAFNUICNSA-N	430.488	4.715	50	40	IJGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccc(COc2ccccc2)cc1	654840	ZPMSBRPPIHTECM-WPWMEQJKSA-N	440.455	4.842	50	40	IJGB	
COc1cccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c1OC	2439447	GRUNXYNIVIOANT-IBGZPJMESA-N	435.549	4.540	50	40	IJGB	
CCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1OC	9292657	WZTHXYZJMCBLNA-JOCHJYFZSA-N	438.487	4.855	50	40	IJGB	
CC(=O)N1CCC(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)(c2ccccc2)CC1	32646816	JHGNPUFPOAHHBK-UHFFFAOYSA-N	440.758	4.670	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)ccc1OCc1ccc(C(=O)O)o1	33579532	NROKSPRBPJSBIM-WQRHYEAKSA-N	446.459	4.728	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccccc2)c(C)c1	409043390	QNLCRDXQMPUADR-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2C)cc1	1912705	AAQOMBGAJNWIPN-FOWTUZBSSA-N	446.288	4.934	50	40	IJGB	
CCCCCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O	8425451	QGAVBFDCTMAEQQ-UHFFFAOYSA-N	443.588	4.706	50	40	IJGB	
COc1cc(NC(=O)C/C(C)=N/NC(=O)c2ccc3ccccc3c2)c(OC)cc1Cl	12628811	FHIRCSLIJIHJAI-VULFUBBASA-N	439.899	4.645	50	40	IJGB	
CCCCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Br)cc1	14923816	VJFTVBTZRWXMHT-HYARGMPZSA-N	447.333	4.748	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC)c(OC)c3)n2)cc1OC	31904630	WJCWFJVDEHQSJL-PXNMLYILSA-N	438.505	4.917	50	40	IJGB	
CC1(CC(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)OCCO1	408952513	KOLYQKZUDFTYRJ-CVKSISIWSA-N	438.911	4.675	50	40	IJGB	
COc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)ccc1OCc1cccc2ccccc12	409147488	ZGLXTHKQQBDXSM-UPKGHWAZSA-N	440.499	4.611	50	40	IJGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1	409219261	KNVUUVLDVAIVOF-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	409376257	WKRAZSAYVMJKQP-HMMYKYKNSA-N	441.487	4.567	50	40	IJGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc(C)cc1Br	873399	DWCRTZIDXLONLS-UHFFFAOYSA-N	440.297	4.604	50	40	IJGB	
COc1ccc([C@H]2CC(=O)C3=C(C2)OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2)cc1OC	2286627	LLPYDQQFTCMQSA-NYHFZMIOSA-N	436.895	4.566	50	40	IJGB	
COc1cccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)c1OC	2439450	GRUNXYNIVIOANT-LJQANCHMSA-N	435.549	4.540	50	40	IJGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(-c2ccccc2)nn1-c1ccccc1	8434753	UPKUZYVTBWBDQY-XMMPIXPASA-N	436.515	4.990	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccnc2)ccc1OC(=O)c1cccc2ccccc12	9846807	XGZVHRINYPEOQO-LQKURTRISA-N	439.471	4.617	50	40	IJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Cl)c2O)cc1	30937346	FEVANRPCRAJXOG-LSHDLFTRSA-N	439.737	4.635	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC	34798939	RTZSPBFWMOXZHB-YDZHTSKRSA-N	427.298	4.774	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	59427241	OMUKALRLKUKKIK-WSDLNYQXSA-N	441.285	4.529	50	40	IJGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccc3ccccc23)c1)c1cccc([N+](=O)[O-])c1	408885890	GKTAMWMNXLKNDX-WGOQTCKBSA-N	439.427	4.731	50	40	IJGB	
O=C(N/N=C\c1cc(Br)ccc1O)[C@H]1CC1(c1ccccc1)c1ccccc1	13305519	UQDSXJMZNZPXMS-UQEONJGVSA-N	435.321	4.611	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OCC)c(OCC)c2)cc1	20197370	NVNTZJNZGOHPOU-OEAKJJBVSA-N	449.345	4.799	50	40	IJGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(C)=O	32099393	SSLOKLOQUXPWDP-RIYZIHGNSA-N	426.270	4.714	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c([N+](=O)[O-])cc1OCc1ccccc1	59433014	TVMYWLZRAWZPHC-XDHOZWIPSA-N	435.480	4.538	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc(Br)c1O	109330477	NMWMKTJBUDDNHE-YDZHTSKRSA-N	433.346	4.544	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C	408743877	HVYGJCXOPUFWPE-UNOMPAQXSA-N	430.464	4.865	50	40	IJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OCc2ccccc2)c(OC)c1	408807219	GNPALLSHRMTJIS-ZNBBLSJYSA-N	443.341	4.858	50	40	IJGB	
CCOc1ccccc1NC(=O)N/N=C\c1cccn1-c1ccc(Br)cc1	408843585	GDUDCXFOAYUBNY-HMAPJEAMSA-N	427.302	4.794	50	40	IJGB	
COc1ccc2cc(/C=N/NC(=O)CSCc3cccc(Cl)c3)c(Cl)nc2c1	408870399	VFLINSWXICHORQ-AUEPDCJTSA-N	434.348	4.934	50	40	IJGB	
CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(=O)O)cc2C)c1C	408912962	IVMWNOGBOWSSPL-QFEZKATASA-N	434.496	4.655	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)o1	409237377	WGCYDBSRPSFHNR-JXAWBTAJSA-N	431.448	4.519	50	40	IJGB	
COc1cccc(/C=N/NC(=O)c2cc3cc(Br)ccc3o2)c1OC(C)C	681297	UDGMQWCYKYQUBB-SSDVNMTOSA-N	431.286	4.755	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)nnc1-c1ccc(C)cc1	1474296	DBHAGGCRYIVDHR-BRJLIKDPSA-N	447.486	4.535	50	40	IJGB	
O=C(N/N=C/c1c(O)c([N+](=O)[O-])cc2oc3c(c12)CCCC3)c1cccc2ccccc12	1822226	DOLIEJKLLOBPCK-DHRITJCHSA-N	429.432	4.843	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3)n2C2CCCCC2)cc1	1874932	CZHLYJNRLOIDEN-MFKUBSTISA-N	449.580	4.707	50	40	IJGB	
COc1cc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)ccc1OCc1ccc(C)cc1	9375308	IJDKXZIOBASZTB-AFUMVMLFSA-N	446.532	4.798	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	16268402	PTNPGARLCWPOES-WYMPLXKRSA-N	444.304	4.768	50	40	IJGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(OC)c(OC)c3)n2)cc1OC	44835384	WJCWFJVDEHQSJL-LZYBPNLTSA-N	438.505	4.917	50	40	IJGB	
C[C@@H](NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1	58914408	OJCFUTGOXGMDTO-IFUVNARDSA-N	430.291	4.581	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1ccc(OC)cc1	408977234	HUYHUJOBPWBWCT-FYJGNVAPSA-N	431.492	4.734	50	40	IJGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3Cl)c2C)cc1	408995910	BYNYIYHCUHFMHI-AFUMVMLFSA-N	425.916	4.675	50	40	IJGB	
C/C(=N\NC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1)c1ccc(Cl)s1	12640249	DSXACJQJAYZSOK-MMPXKQJNSA-N	447.988	4.724	50	40	IJGB	
CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)COc1ccc(Cl)cc1	15134800	GFJRDOWDDDGBSC-MAKCPWPFSA-N	444.919	4.546	50	40	IJGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1	59444990	SKEOUDLIFLPCTJ-ZVHZXABRSA-N	439.309	4.801	50	40	IJGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc([N+](=O)[O-])cc3)c2C)cc1	408763258	RWZIHUYJBJPNCN-ZVHZXABRSA-N	436.537	4.807	50	40	IJGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCC(=O)Nc2cccc(C)c2)c1	409042273	MCMFTKGUFSLRGY-CPNJWEJPSA-N	438.487	4.962	50	40	IJGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1Br	409188419	ZANFFZPJIYOSQD-SRZZPIQSSA-N	441.310	4.834	50	40	IJGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(N(C)C)cc1	409230779	GKAUTBHVQXBOSE-MOHJPFBDSA-N	426.564	4.816	50	40	IJGB	
CCN1/C(=C(/C#N)c2nc(C#N)c(C#N)nc2Sc2ccc(C)cc2)Nc2ccccc21	1806165	DHYDSUZTYZGDPQ-QJOMJCCJSA-N	435.516	4.824	50	40	IJGB	
COC(=O)N/N=C/c1cc(Cl)c(OCCCOc2ccc(Cl)cc2)c(OC)c1	8722184	SAKBYCYOMBPOMY-WSDLNYQXSA-N	427.284	4.540	50	40	IJGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(C)cc1[N+](=O)[O-]	9313411	VEYWGKHKFHODIK-NTEUORMPSA-N	436.449	4.741	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3ccccc3)c2C)cc1Br	408534764	WUWLKLGLANCOQN-ZMOGYAJESA-N	440.341	4.694	50	40	IJGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	408892044	ACWPEGRKTMLVTK-NTEUORMPSA-N	430.258	4.610	50	40	IJGB	
CC1(C)[C@]2(C(=O)Nc3ccccc3Br)CC[C@@]1(C)C(=O)[C@H]2Br	2106595	HIUVZFSAJLHFJR-OAUYIBNBSA-N	429.152	4.547	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c([N+](=O)[O-])c1	2244613	JVTAYZLOQADHSX-AUEPDCJTSA-N	448.262	4.999	50	40	IJGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	3018089	CNRCIGOAXVQQGG-SGWCAAJKSA-N	429.564	4.699	50	40	IJGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(F)c3)cc2)cc1	6075454	MFDGFFPPIAQNJB-LQKURTRISA-N	448.494	4.872	50	40	IJGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc3ccccc23)[C@H]2CN(Cc3ccccc3)CC=C12	15218911	PPXULTQNGHRABN-RRPNLBNLSA-N	441.538	4.765	50	40	IJGB	
O=C(N/N=C\c1cccc(OCc2ccccc2)c1)[C@@H]1COc2cc3ccccc3cc2O1	30734296	UDEMVASRFKDHDL-AAIZQTEUSA-N	438.483	4.709	50	40	IJGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3F)c3ccccc23)c1	33605381	SLBRIXUGJBJISH-MZJWZYIUSA-N	428.467	4.551	50	40	IJGB	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	96839676	KPJYYIYNHUOMAE-NRFANRHFSA-N	435.505	4.929	50	40	IJGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(Br)c(O)c(Br)c1	408814826	SJEOSNCFSJYUQL-RJIXSYNGSA-N	442.151	4.519	50	40	IJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(NC(=O)c2ccccc2)c1C	409209577	HEGCYUANRORHSG-NDENLUEZSA-N	432.911	4.996	50	40	IJGB	
COc1cc([C@@H]2NC(=S)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccccc1F	409369767	GEYYMYNVSYBZEW-FQEVSTJZSA-N	425.529	4.756	50	40	IJGB	
Cc1ccc(C)c(OCCn2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c3ccccc32)c1	781541	KIWJGDMDRPTPRV-QFVBLGFASA-N	443.547	4.539	50	40	IJGB	
Cc1cc(C)c2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccc(Br)cc3)coc2c1	2513635	XVDJCQAJHUGEES-RQZCQDPDSA-N	444.306	4.511	50	40	IJGB	
CCCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc(Br)cc3)[nH]n2)cc1	9270830	JIVDUHZPQXZKNF-UCQKPKSFSA-N	441.329	4.782	50	40	IJGB	
COc1ccccc1CSC1=C(C#N)C2(CCCC2)[C@H](c2nc(C)cs2)C(=O)N1	22988310	LULPWAAUXNOZQK-SFHVURJKSA-N	425.579	4.903	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)OCc2ccccc2)ccc1OC(=O)/C=C/c1ccccc1	408718576	AOPHAZMNJVVWMZ-RRLLQXIXSA-N	444.487	4.964	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc(OC)c1OC	408856044	PDACGFMNJHTPTJ-FMCGGJTJSA-N	443.297	4.705	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)cc2)cc1	409008073	SSJULBADXNVXPQ-RCCKNPSSSA-N	425.488	4.867	50	40	IJGB	
C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)COc1ccc(C)cc1C	9763084	CDMSJUJEJNCKMP-VFCFBJKWSA-N	429.520	4.870	50	40	IJGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccccc3F)C3=C(CCCC3=O)N2)cc1	13174651	SFEIFTPLIHIRNF-QHCPKHFHSA-N	447.535	4.935	50	40	IJGB	
CCCOc1cc(Br)c(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC	34705630	AWHRTZQWKFBWTE-NHDPSOOVSA-N	425.710	4.664	50	40	IJGB	
N#CC(C#N)=C(Nc1ccccc1)S[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O	113480220	NKWUYPDXGVNBSQ-QGZVFWFLSA-N	443.315	4.729	50	40	IJGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2)c1C	408888265	YEQANZYGBVKYFA-ZMOGYAJESA-N	440.341	4.938	50	40	IJGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c1C	408960074	JAJOEIULNBPQND-DHRITJCHSA-N	435.597	4.614	50	40	IJGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O	8448754	OISZCRNBHBBGHP-YXSASFKJSA-N	446.128	4.607	50	40	IJGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(OC(C)C)cc2)C(C#N)=C(N)O3)cc1	9360006	HCFKZZYQUJMLAH-NRFANRHFSA-N	430.508	4.871	50	40	IJGB	
CCN(CC)P(=O)(Nc1nc(OC)c(C#N)c(-c2ccccc2)c1C#N)N(CC)CC	102070663	LAZRLWJVWSKIER-UHFFFAOYSA-N	440.488	4.704	50	40	IJGB	
CCOc1cc(C(=O)Cl)cc(I)c1OCc1ccccc1C	217712313	WJZHHZLNVVMCIZ-UHFFFAOYSA-N	430.669	4.956	50	40	IJGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1	408532273	QCYWSDPENQHBIG-WYMPLXKRSA-N	426.314	4.888	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc4c(c3)OCO4)nn2-c2ccccc2C)cc1	408724434	KIPUCJIWNNNYCF-JFLMPSFJSA-N	438.487	4.649	50	40	IJGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(C(=O)O)cc1	408891669	ATYGQZFLHRPOMU-QGOAFFKASA-N	446.846	4.803	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408895536	LBLANAVOJWFLIC-GXDHUFHOSA-N	448.391	4.626	50	40	IJGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl	409261598	DZKNAPFTFJLWDJ-MXAYSNPKSA-N	442.302	4.775	50	40	IJGB	
COc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)c([N+](=O)[O-])c1	409264969	HHCQZUYQDXZXAB-MFKUBSTISA-N	429.432	4.709	50	40	IJGB	
O=C(CSc1nnc(SCc2cccc3ccccc23)s1)N/N=C/c1ccco1	2347050	ZBEQTHCHPFCSDN-SRZZPIQSSA-N	440.575	4.819	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	13388163	BHSBRZIRBATWAG-CPNJWEJPSA-N	429.432	4.728	50	40	IJGB	
Cc1nn(-c2ccccc2)c(O)c1/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccc1F	13549396	ATWBIYFAUZRIGT-QYQHSDTDSA-N	448.885	4.861	50	40	IJGB	
O=C(N/N=C\c1cc(Br)ccc1OCc1ccccc1)c1ccc(F)cc1	30822080	AUYQOUILSRHFNM-CFRMEGHHSA-N	427.273	4.931	50	40	IJGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)o1	107815179	ROFYBVPWRYQCKY-FOKLQQMPSA-N	449.444	4.840	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408540623	ALFVUOBTLMUUSN-NDENLUEZSA-N	430.416	4.945	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccccc2)cc1Br	408884288	WPMPFCYPHGXIAX-RGVLZGJSSA-N	438.119	4.540	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	409313824	JDAABQAQHZZCFT-PKAZHMFMSA-N	446.503	4.612	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OC	409331617	DXEWVGAZPXUPLL-ZMFRSBBQSA-N	442.874	4.839	50	40	IJGB	
CC(=O)c1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1	9187302	KJUHJXHAJHXOOR-XSFVSMFZSA-N	436.471	4.847	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OCc1ccc(F)cc1	9763463	OHOAYKDWJKOVDO-XDHOZWIPSA-N	446.434	4.657	50	40	IJGB	
CCN(CC)C(=S)SC/C(=N/NC(=O)CSCc1ccccc1)c1ccccc1	12346267	UHXCJUFVYYYBGN-ATJXCDBQSA-N	445.679	4.800	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)OC)c3C)o2)cc1	408745019	OTQMUDKTBSDJJQ-VKAVYKQESA-N	430.460	4.986	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Br)cc1OCC#N	408797706	SPVAVWQNZMCYTA-MHWRWJLKSA-N	440.297	4.604	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc(C(=O)O)c1	408845634	IADYATWEBJJXMS-MTJSOVHGSA-N	442.471	4.827	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)c([N+](=O)[O-])c1	408886020	CTJHJTZPZQGQBJ-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
Cc1c(-c2ccc(/C=N/NC(=O)COc3ccc4c(c3)CCCC4)o2)cccc1[N+](=O)[O-]	409159142	QDOOHQSVSXJCCU-AFUMVMLFSA-N	433.464	4.571	50	40	IJGB	
N#CC1=C(SCCOc2ccccc2)NC(=O)C[C@H]1c1cccc(Br)c1	409325180	XETNULNNVOFWBX-KRWDZBQOSA-N	429.339	4.600	50	40	IJGB	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)C(=O)NCCc1ccccc1	3345769	QDRCCHBMMLQUME-HMMYKYKNSA-N	429.907	4.858	50	40	IJGB	aggregator
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(C#N)c3)c(OC)c2)cc1	20197920	NPDBIKCUOFJNRI-OGLMXYFKSA-N	443.503	4.699	50	40	IJGB	
Cc1ccc(C)c(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccncc3)c2C)c1	20243929	CNQHYTCMQOEVAI-WYMPLXKRSA-N	425.330	4.632	50	40	IJGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(=N1)SC(C#N)=C2N	408603910	HQSGARVRQWIQAB-OAQYLSRUSA-N	429.549	4.834	50	40	IJGB	
COc1cc(Br)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1OC	408809501	HHPZHASLNPDKAW-NTUHNPAUSA-N	435.705	4.974	50	40	IJGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(I)cc2)cc1	408889130	ADQKLFKGHLFTPN-LFIBNONCSA-N	446.288	4.872	50	40	IJGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)O	408926294	WWGIQKIUBQAPSB-GHRIWEEISA-N	446.846	4.803	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1cccc(Cl)c1	409058074	RAPAHAFLMIPPKE-QGOAFFKASA-N	431.879	4.903	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OC)c1OCc1ccccc1	409237186	IANFDJNSLRGBCM-QRQIAZFYSA-N	432.495	4.835	50	40	IJGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)C(=O)NCc3ccccc3)c2)cc1C	409247771	BDDUZUOWBSBDKS-OEAKJJBVSA-N	439.515	4.544	50	40	IJGB	
Cc1c(/C=N/NC(=O)[C@@H](O)c2ccccc2)c2ccccc2n1Cc1ccccc1Cl	409254136	HTTAMOBMHMNQEO-SJUCLPJRSA-N	431.923	4.835	50	40	IJGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	3258888	UNUPSWMEELXTGR-JWGRYVKWSA-N	440.499	4.837	50	40	IJGB	
Cc1ccc(OCC(=O)N/N=C\c2cc(/N=N/c3ccc([N+](=O)[O-])cc3)ccc2O)c(C)c1	9720517	JLMFCTXOGHEQMK-LFOKZAPISA-N	447.451	4.862	50	40	IJGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1Br	20760743	APFPWZJJOTUMAM-ZMOGYAJESA-N	427.273	4.931	50	40	IJGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1Cl	58912884	KPIVDTKLXZURRW-OPEKNORGSA-N	447.297	4.629	50	40	IJGB	
CC(C)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Br)cc2)cc1	59505981	NIBRSVFMPJGJPY-OEAKJJBVSA-N	430.346	4.832	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCN(c4ccccc4)CC3)c2C)c(C)c1	59676771	NDJHSTZUKWGYCV-BWAHOGKJSA-N	438.575	4.967	50	40	IJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)cc1	408745437	SFNMVJIBCRIBIY-QINSGFPZSA-N	433.420	4.808	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408745742	ORYMRHZNJVBMMR-RGEXLXHISA-N	429.432	4.728	50	40	IJGB	
Cc1cc(C)cc(N(CC(=O)NN=C2CCCCCCCCCCC2)S(C)(=O)=O)c1	408774410	WDFVMTLVWGMCFZ-UHFFFAOYSA-N	435.634	4.846	50	40	IJGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)o1	408961980	WKLZOOUXMOQDLN-VROXFSQNSA-N	447.274	4.789	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1)C(=O)Nc1ccc(O)cc1	409259838	GJMNOKALJNGIQB-GHRIWEEISA-N	447.878	4.609	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)cc1OC	409309129	BYBPINGSBRVBGO-YUMHPJSZSA-N	434.467	4.742	50	40	IJGB	
Cc1cccc2c(CCNS(=O)(=O)c3ccc([C@H](C)CCBr)cc3)c[nH]c12	13943011	UQQMXULCTWTCDW-OAHLLOKOSA-N	449.414	4.886	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)cc(C)c1OCc1ccc(Br)cc1	408847931	OJTCLAXCCGMCSM-DHRITJCHSA-N	438.325	4.804	50	40	IJGB	
Cc1cccc(C)c1OCC(=O)N[C@@H](CC(C)C)C(=O)N/N=C/c1cccc2ccccc12	409016007	QFPJTOVJQPRPQM-BATDETSNSA-N	445.563	4.517	50	40	IJGB	
CC(C)OC(=O)c1cccc(-c2ccc(/C=N/NC(=O)COc3ccccc3Cl)o2)c1	409171129	YXQFWXWPBLURCT-DHRITJCHSA-N	440.883	4.694	50	40	IJGB	
N#CC1=C(SCC(=O)Nc2cccc(Cl)c2Cl)NC(=O)C[C@@H]1c1ccccc1	409309796	MNNULWARJHGJKA-CYBMUJFWSA-N	432.332	4.704	50	40	IJGB	
COc1cc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)ccc1O	6177645	QHVQOSHGEAZMOV-OAHLLOKOSA-N	441.940	4.582	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057377	IEDJXBCWXXHFFU-UKTHLTGXSA-N	438.783	4.962	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)cc2C)ccc1OCc1cccc(C#N)c1	20195217	NJZGOEFAXAKBJZ-STBIYBPSSA-N	441.531	4.846	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)cc(Br)c1OC	59201089	GYUPIPBGEMJDRY-YBEGLDIGSA-N	429.314	4.964	50	40	IJGB	
N#C/C(=C/Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2cc(Cl)ccc2o1	100929711	WVGGXZVNKBWEOC-PFONDFGASA-N	442.928	4.632	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1	107805673	CBODGODXRNBNBD-LGJNPRDNSA-N	442.874	4.839	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C	408818241	NJGYUWBHCINXCS-CFRMEGHHSA-N	432.436	4.521	50	40	IJGB	
CC(C)c1ccc(N(CC(=O)NN=C2CCCCCC2)S(=O)(=O)c2ccccc2)cc1	408864419	VMHSJDDLJYWLHY-UHFFFAOYSA-N	441.597	4.832	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)c2C)cc1Cl	408970003	YLPWKXMBOCVMMO-BRJLIKDPSA-N	443.334	4.798	50	40	IJGB	
C#CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409015620	CPCQDMXONCRHJB-JJFYIABZSA-N	431.673	4.625	50	40	IJGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	409133149	ZUNCLMHJVYRJAY-JOCHJYFZSA-N	449.850	4.751	50	40	IJGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N\NC(=O)c2ccccc2)c1C	409262343	HXUSZQVJLGFRDR-WGARJPEWSA-N	435.911	4.738	50	40	IJGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=S)Nc3ccccc3Cl)cc12	3209035	ORUHDDUFCYBJOS-UHFFFAOYSA-N	441.969	4.680	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2C)c2ccccc12	9871422	IPPUEZANXKQPDE-VUTHCHCSSA-N	445.563	4.987	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1	13344016	YGKWBIQZYYGUFD-KGENOOAVSA-N	442.471	4.908	50	40	IJGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)nn2-c2ccc(C)cc2)cc1	408724092	FCLGMFDORJYJAB-WGOQTCKBSA-N	439.475	4.828	50	40	IJGB	
Cc1cccc(COc2ccccc2/C=N\NC(=O)COc2cccc3cccnc23)c1	409021395	FNMVXTYGVMESBV-NTFVMDSBSA-N	425.488	4.651	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1cccc([N+](=O)[O-])c1	409189510	HEHLQYXIFLCBBG-UNOMPAQXSA-N	435.480	4.538	50	40	IJGB	
N#C/C(=C/c1cccc(OCC(=O)Nc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1	409219644	SRSQJUPXFZUMJY-AQTBWJFISA-N	431.879	4.903	50	40	IJGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	409362157	SLRJHWCYPBQTKF-AFUMVMLFSA-N	434.293	4.664	50	40	IJGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)Nc3cccc(Cl)c3)cc12	3226589	MWCWGNPWFSGSDA-UHFFFAOYSA-N	425.901	4.515	50	40	IJGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3ccco3)c2C)ccc1Br	9264377	CFFZVCSBIHTHKS-WOJGMQOQSA-N	438.325	4.981	50	40	IJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2F)cc1	35167606	FBFUXLWUWWEQGQ-RGEXLXHISA-N	429.451	4.697	50	40	IJGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1I	408745375	RCUFOTNYZRDWII-WJDWOHSUSA-N	444.272	4.710	50	40	IJGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1	409047116	NDXICVSWLMFXDB-NBVRZTHBSA-N	431.879	4.903	50	40	IJGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(CCCC3=O)N2)c1C	13174415	IIGJXFMSJSCASQ-JOCHJYFZSA-N	433.533	4.697	50	40	IJGB	
C[C@H]1CCCC/C1=N/NC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	13882127	NZBOFFGRBCITRH-WUXPNXBRSA-N	428.330	4.997	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1-c1cccnc1	14152011	NPBMEQZCEJDXAT-WOJGMQOQSA-N	427.533	4.847	50	40	IJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1[N+](=O)[O-]	20760249	SLXNTXDLAYFMNK-SRZZPIQSSA-N	428.242	4.690	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)NC1CCCCC1	23217378	XONJUCCLOABVHC-JLHYYAGUSA-N	444.285	4.973	50	40	IJGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(C(=O)O)c1	408541696	HIABLNZIIXMOII-PTNGSMBKSA-N	425.366	4.740	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)ccc1OCC#N	408856844	LPACKJBARBKCJA-CFRMEGHHSA-N	438.281	4.590	50	40	IJGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OCC	409024100	VHXYZHMQUGHTOJ-MSXFZWOLSA-N	431.275	4.914	50	40	IJGB	
CCOc1ccc(/C=N/NC(=O)COc2ccc(Br)c3ccccc23)cc1	3038574	QMTGMJMZOJVCAG-YDZHTSKRSA-N	427.298	4.530	50	40	IJGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC	8397884	XSNPCHOUXMIUPU-LQKURTRISA-N	448.563	4.701	50	40	IJGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	12250189	GQGOEHKYSODSOI-QGZVFWFLSA-N	425.941	4.613	50	40	IJGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1sc2cc(Cl)ccc2c1Cl	12923390	CABJWWUODJRQFG-SECBINFHSA-N	427.284	4.576	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1	13345176	LGLAOSPNLMOKEC-XSFVSMFZSA-N	442.471	4.908	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1	16347930	FLWOXAKEFIEILE-MTJSOVHGSA-N	444.491	4.543	50	40	IJGB	
CC[C@H](C)n1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	408913611	VQUHVDOOXXGVCK-FNVGFWRISA-N	425.532	4.999	50	40	IJGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)c(C)c1	409200055	GBQHAZGGZQJPEJ-WYMPLXKRSA-N	442.924	4.937	50	40	IJGB	
COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1OCC(=O)Nc1ccc(F)cc1	409201868	ORFOGXHIDCEQDI-AQTBWJFISA-N	447.422	4.824	50	40	IJGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	409322000	KEWDTINTCBYAIP-KRWDZBQOSA-N	429.339	4.730	50	40	IJGB	
CCOC(=O)/C(C#N)=C/c1[nH]c(C)c(C(=O)OCC)c1Cc1cc(Cl)ccc1Cl	3330716	YPODRJXANRSPEA-GXDHUFHOSA-N	435.307	4.868	50	40	IJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c(Cl)c1	9288147	ACIHVIFTBYAPLO-ZMOGYAJESA-N	437.839	4.540	50	40	IJGB	
COc1ccc2[nH]cc(/C=N/NC(=O)c3sc4nc(C)cc(C)c4c3-n3cccc3)c2c1	15084514	QGHFWIAVFIYPGU-LGJNPRDNSA-N	443.532	4.958	50	40	IJGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1	20197947	HLGLJWZQOVEZCZ-YDZHTSKRSA-N	449.345	4.798	50	40	IJGB	
Cc1cccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccccc3O)c2C)c1	20243883	HCBYGDXWQKJGQW-FSJBWODESA-N	426.314	4.635	50	40	IJGB	
Cc1ccc(N2CC(=N)[C@@H]([P+](c3ccccc3)(c3ccccc3)c3ccccc3)C2=O)cc1	97971454	YPPOSKOFALVYKW-MUUNZHRXSA-N	449.514	4.724	50	40	IJGB	
COc1cc([C@@H]2C(C#N)=C(/N=C/N(C)C)Oc3c2ccc2ccccc32)cc(OC)c1OC	100324868	RXVPRBVLXUIOGX-YJGSSNSBSA-N	443.503	4.715	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Br)c1OCC	408818664	OIYLALMLGDZWSB-UUYOSTAYSA-N	431.286	4.757	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OCc1ccc(C)cc1	408965072	FZRGKCLFBHBMMR-RWPZCVJISA-N	431.467	4.747	50	40	IJGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2N)o1	409193351	JFOXRXMBOSKRSZ-BRJLIKDPSA-N	425.872	4.511	50	40	IJGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	409345597	MGWHDFWWWISSAU-UVHMKAGCSA-N	441.890	4.629	50	40	IJGB	
Cc1cc(C)c(C2=NON3c4ccccc4N(C(=O)[C@@H](Br)C(C)C)N23)c(C)c1	9354657	LPZMDEDBUHFNIS-IBGZPJMESA-N	443.345	4.623	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	20248097	CINNTDKHVYAGAX-LPYMAVHISA-N	434.403	4.679	50	40	IJGB	
C[C@H](NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1	58914404	OJCFUTGOXGMDTO-RTNLCPHNSA-N	430.291	4.581	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)NNc3cccc(OCc4ccc(Cl)cc4)c3)CC2=O)cc1	408604975	JJDNGWBBYCJSEM-LJQANCHMSA-N	449.938	4.724	50	40	IJGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1	408722048	CLTSPSHQMCKPMX-LSHDLFTRSA-N	434.235	4.691	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(Br)c1OC	408962099	GNMCYVSKCMMGEZ-AUEPDCJTSA-N	445.235	4.639	50	40	IJGB	
O=C(O)c1cccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2)c1	408965869	JLQKHWJPFQBUPW-UVHMKAGCSA-N	442.393	4.747	50	40	IJGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)cc2c1	409187459	QPJAJJQRFBGKBM-ZMFRSBBQSA-N	445.475	4.732	50	40	IJGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)n1	409241235	SFPTVXQRODKEDB-VULFUBBASA-N	443.576	4.897	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)Nc2ccccc2C)cc1	409257162	RGPUFXOAEFKUGD-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
CCc1cccc(C)c1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	409315594	WDUPSMPQEFLSRO-GOSISDBHSA-N	439.968	4.921	50	40	IJGB	
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccs1	9018991	BTYQIFUPQDYUOV-ULJHMMPZSA-N	447.589	4.937	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cccc(OC(=O)c2cccs2)c1	9339741	YCRFRBPPPKRROO-ZVHZXABRSA-N	431.473	4.695	50	40	IJGB	
Cc1ccc(-n2c(C)c(Br)c(/C=N/NC(=O)c3ccccc3O)c2C)c(C)c1	20243885	BVTBVWILFYYEPO-WYMPLXKRSA-N	440.341	4.943	50	40	IJGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(C)cc3Br)o2)c1	107786495	YFDXCAFCRYTHJP-FSJBWODESA-N	443.297	4.799	50	40	IJGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Br)c1)c1ccc(Br)cc1	408580499	PVELCGAJEFKRER-NTUHNPAUSA-N	437.087	4.739	50	40	IJGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1Cl	409011488	NMQNQWRDEXKEGX-OVKKOYPGSA-N	436.939	4.904	50	40	IJGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	409193577	HBNAPPMPCNIGIJ-CPNJWEJPSA-N	447.539	4.933	50	40	IJGB	
Cc1cc(C(=O)N(NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc2)cs1	1501587	IMSZKTXOXWXUGP-UHFFFAOYSA-N	442.540	4.671	50	40	IJGB	
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1/C=N/NC(=O)C12CC3CC(CC(C3)C1)C2	6143143	NQDCTLNHOSXYLJ-MTDXEUNCSA-N	445.611	4.838	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC	9323648	HVGZYBDLXPXKFO-ZVHZXABRSA-N	439.309	4.940	50	40	IJGB	
COc1ccc([C@H](CC(=O)O)CC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1	104198257	XEUCKWKLQOMGHT-SFHVURJKSA-N	438.351	4.811	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)Nc2ccc(F)cc2)c1	107596808	KEYQBLRXOGEPHI-XMHGGMMESA-N	429.451	4.697	50	40	IJGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc(Br)ccc3O)c2C)cc1	409063259	JOFVTTQIMJXQST-FMCGGJTJSA-N	426.314	4.635	50	40	IJGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccccc2Cl)cc1	409218532	FQSWQFNFVBXFHJ-MXAYSNPKSA-N	443.286	4.985	50	40	IJGB	
N#C/C(=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)C(=O)N1CCCC1	409367782	KPISWNUDRLSQKA-XNTDXEJSSA-N	431.370	4.935	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)c1ccc(OCC(=O)N/N=C/c2ccc(F)cc2)cc1	959087	JHXOXZKYAAKACG-LGJNPRDNSA-N	439.874	4.569	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1cccs1	30817672	YKJQEVOXBKKUFQ-QRVIBDJDSA-N	428.897	4.783	50	40	IJGB	
COc1ccccc1NC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1C	34878268	ZTNATGOBWNDHCN-HKWRFOASSA-N	441.487	4.567	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)ccc1O	35189281	VFBDUYNDJMGPPZ-ZMFRSBBQSA-N	435.911	4.728	50	40	IJGB	
Cc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCC2)c2ccc(C)cc2C)cc1	408837706	LTTYVQRVJBXGJE-UHFFFAOYSA-N	441.597	4.634	50	40	IJGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1	408979101	LGYHOKRBVXIBAE-MORQCWLFSA-N	445.519	4.593	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc(Br)c1OCC#N	408984971	JSDKCUFTCUHCLR-CXUHLZMHSA-N	440.297	4.523	50	40	IJGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl	3116048	CLYTZOVQUSBHMX-ODCIPOBUSA-N	430.129	4.902	50	40	IJGB	
N#CC1=C2N=C(N)c3ccccc3N2C2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccsc1	9487475	CVAXVTAFSMQGHK-QRQCRPRQSA-N	438.512	4.800	50	40	IJGB	
Cc1ccccc1-n1nc(C)c2c(C(=O)N/N=C/c3ccccc3)cc(-c3ccncc3)nc21	15913358	HYGJMCHZOPXXMG-STBIYBPSSA-N	446.514	4.863	50	40	IJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	408759097	XTFMYPWRPMIUGP-CPNJWEJPSA-N	427.416	4.668	50	40	IJGB	
C#CCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	408794498	JKGFMOAHEWNXKC-GZTJUZNOSA-N	439.309	4.714	50	40	IJGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408801312	VCVYTDZPGTXVRT-OQLLNIDSSA-N	429.701	4.969	50	40	IJGB	
Cc1c(Br)cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)cc1Br	408879933	HWZOETFMNCJHFS-ILXUYKATSA-N	428.168	4.796	50	40	IJGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1	408971655	KWLFEISXSWOPAR-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
COc1ccccc1NC(=O)COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	409379300	VWTKLEYBYOJVRM-ZHZULCJRSA-N	441.487	4.567	50	40	IJGB	
COc1ccc(CCN(C(=O)CCl)c2nc(-c3ccc(C)cc3)cs2)cc1OC	932731	ITBDOCZCHQBZSR-UHFFFAOYSA-N	430.957	4.950	50	40	IJGB	
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	1102192	DFBHVNAQXZWJPK-NRFANRHFSA-N	442.910	4.546	50	40	IJGB	
CCCCCCOc1ccccc1/C=N/NC(=O)COc1cccc(Br)c1	3174489	GFNPJSXWMOVNEP-HZHRSRAPSA-N	433.346	4.937	50	40	IJGB	
C/C(=N\NC(=O)COc1ccccc1Cl)c1ccc(NC(=O)c2ccc(F)cc2)cc1	8453843	DAUDDHGSMVXPGR-JFLMPSFJSA-N	439.874	4.651	50	40	IJGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	9493326	FGQAMJFYSBVNCX-UHFFFAOYSA-N	448.306	4.577	50	40	IJGB	
CCOc1ccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	9693146	OPZLWRDTFDDGQS-LJQANCHMSA-N	425.941	4.958	50	40	IJGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cc2)cc1	38536885	LTHDIUBJMWFOSZ-JNBCAHNCSA-N	431.536	4.614	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Br)c1OCC	408752556	BQJIQZXOVXWHGB-SRZZPIQSSA-N	425.710	4.664	50	40	IJGB	
CCOc1cc(/C=N\NC(=O)c2cccc(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cn1	409209849	JJUOPXPPYCNPLB-MSXFZWOLSA-N	440.843	4.598	50	40	IJGB	
CCOC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21	409228843	FXLXUARAPLIYOK-GDNBJRDFSA-N	441.409	4.769	50	40	IJGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1	409235069	NRHLAHJHGJKWAG-WKIKZPBSSA-N	444.865	4.899	50	40	IJGB	
CC1(CC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)SCCS1	409362318	IXKTVZYLCKITHT-VXLYETTFSA-N	425.919	4.545	50	40	IJGB	
N#CC1=C(N)N(c2sc3c(c2C#N)CCCC3)C2=C(C(=O)CCC2)[C@H]1c1cccs1	3668031	NYMWUDXTUVLQIB-HXUWFJFHSA-N	432.574	4.865	50	40	IJGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc1	33657946	BEESJRBGVAYDGE-SSDVNMTOSA-N	435.417	4.532	50	40	IJGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1O	97994799	JKSFCHKLLAOHDC-BOPFTXTBSA-N	433.395	4.564	50	40	IJGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2cccc3ccccc23)c2cc(Cl)ccc21	100175994	RDFKUAWRKJYZTF-VYIQYICTSA-N	435.911	4.539	50	40	IJGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	100571779	BLUHDMJTXKAKPN-OPEKNORGSA-N	427.810	4.502	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NCc2ccccc2C)c1	408706562	BNCRXNZZRIWDCD-RWPZCVJISA-N	448.954	4.775	50	40	IJGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2cc(Cl)ccc2Nc2cc(C)ccc2C)cc1	408706784	DQQBPEGSVVACDE-RWPZCVJISA-N	448.954	4.775	50	40	IJGB	
Cc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)c(C)n1-c1ccc(F)cc1	408738076	MXKSCEQTHXXNCN-WYMPLXKRSA-N	444.304	4.525	50	40	IJGB	
O=C(CSc1nnc(SCc2ccccc2Cl)s1)N/N=C/c1cccs1	1786708	OBCRSZDTZZXHAX-QGMBQPNBSA-N	441.028	4.788	50	40	IJGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1	2777315	XJHQKXLDDXGSFR-GHRIWEEISA-N	437.546	4.711	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)cc1OC	6135436	UIONHOMYTFTCFB-IBGZPJMESA-N	449.576	4.876	50	40	IJGB	
Cc1ccccc1[C@H]1CC(=O)NC(SCC(=O)Nc2cccc3ccccc23)=C1C#N	9015022	ZCQUNEODABBEEP-HXUWFJFHSA-N	427.529	4.859	50	40	IJGB	
Cc1n[nH]c2c1[C@@H](c1cccc(OCc3ccc(Cl)cc3Cl)c1)C(C#N)=C(N)O2	9272863	ZRCDJVBYLRXYGK-IBGZPJMESA-N	427.291	4.822	50	40	IJGB	
O=C(/C=C/c1ccc(Br)cc1)Oc1ccccc1/C=N\NC(=O)c1ccccc1	14923279	MFMSTVVYTGVORI-YQQIJQLDSA-N	449.304	4.832	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OCc1ccccc1	59419134	ZINMAWDTQWTIIE-CVKSISIWSA-N	438.911	4.847	50	40	IJGB	
CC(C)(C)OC(=O)N1CC[C@@H](CSSC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1	91368960	HMUNCMDMBOMSER-HZPDHXFCSA-N	432.652	4.882	50	40	IJGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2c1	108086559	YMOOBRHWUSUXTD-FSJBWODESA-N	435.461	4.744	50	40	IJGB	
C=CCc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc(OCC)c1O	408808304	DWUPKVMSVCCCOP-PKAZHMFMSA-N	430.504	4.716	50	40	IJGB	
COc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)ccc1OCc1ccccc1Cl	409342731	HDTIZBFQQPJCHK-UVHMKAGCSA-N	441.890	4.629	50	40	IJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(NC(C)=O)cc2)c1C	9468972	PQFCUGJKAXPMMP-XSFVSMFZSA-N	428.492	4.607	50	40	IJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1I	34689860	QACJTQQBACSYTF-YBEGLDIGSA-N	446.288	4.852	50	40	IJGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Br	408743464	FZNAIWJXACHHES-LCYFTJDESA-N	449.146	4.823	50	40	IJGB	
COc1ccc(-n2cccc2/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)cc1	408949243	AGDXGKYBNXQRLL-IMRQLAEWSA-N	425.488	4.682	50	40	IJGB	
C[C@@H](NC(=S)NNC(=O)c1ccc(COc2ccccc2Cl)cc1)c1ccccc1	2795536	QROGYMWQMJYROF-MRXNPFEDSA-N	439.968	4.789	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1cccc2ccccc12	3167205	STECXZRKIJDKSR-WQEJZQBCSA-N	427.298	4.529	50	40	IJGB	
N#CC1=C2SCN(c3ccc(Br)cc3)CN2C(=O)C[C@@H]1c1ccc(F)cc1	9693130	HCSIOYKFTRHQJN-QGZVFWFLSA-N	444.329	4.808	50	40	IJGB	
O=C(N/N=C(C(=N/NC(=O)c1ccccc1)/c1ccccc1)\c1ccccc1)c1ccccc1	18068692	FCYVHTSUXHTTMQ-XDHTVYJESA-N	446.510	4.655	50	40	IJGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccc(Br)c3)cc2)c1	58900626	QBJLZXXUNJKOQO-ZVHZXABRSA-N	436.309	4.774	50	40	IJGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408837785	NNTAEPTTYGSSAI-MTDXEUNCSA-N	425.532	4.574	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cccc(Br)c1	408966652	MUECMFMJVSQYPS-BRJLIKDPSA-N	439.288	4.631	50	40	IJGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	408996259	LSUUTHMDYFHPFQ-YDZHTSKRSA-N	446.960	4.622	50	40	IJGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC	409052516	UKPJYFNRSCBPSQ-UFFVCSGVSA-N	425.710	4.582	50	40	IJGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	409228069	ZTWVVBOPIPHPCI-CFRMEGHHSA-N	437.839	4.540	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Cl)c1OCc1cccc2ccccc12	409235946	QRQMQJUNBDKRFI-ZDLGFXPLSA-N	449.894	4.573	50	40	IJGB	
COc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccc(Oc2ccccc2)cc1	860951	PELQANDSMCNTDO-UHFFFAOYSA-N	425.444	4.936	50	40	IJGB	
CCOc1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc(OCC)c1OCC	8882829	VTDBVPAOWQXLDR-FSJBWODESA-N	425.312	4.953	50	40	IJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1C(=O)O	13345147	IQFUSZBVWQVKHU-FMIVXFBMSA-N	437.795	4.752	50	40	IJGB	
O=C(N/N=C\c1cccc(O)c1)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1	30735268	QOHFOYLDUKCJIB-WGARJPEWSA-N	446.894	4.779	50	40	IJGB	
O=C(N/N=C(C(=N\NC(=O)c1ccccc1)\c1ccccc1)/c1ccccc1)c1ccccc1	103978446	FCYVHTSUXHTTMQ-ZUSIYWPSSA-N	446.510	4.655	50	40	IJGB	
Cc1ccc(N2C[C@H](C(=O)O[C@H](CCCl)C(=O)c3ccc(Cl)cc3)CC2=O)c(C)c1	408650376	MLLNPBMWSBFAPY-YLJYHZDGSA-N	448.346	4.733	50	40	IJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1	408926723	XSLLTMUQRXRCNH-GZTJUZNOSA-N	434.427	4.696	50	40	IJGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(O)c3)n2C2CCCCC2)cc1	2216116	JXJLAMAGLLNWEW-MFKUBSTISA-N	449.580	4.707	50	40	IJGB	
CC(C)c1ccc([C@H]2[C@H]3CN(Cc4ccccc4)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	35342719	WBPJOHJTCZOJLN-UIOOFZCWSA-N	433.559	4.736	50	40	IJGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	408792969	CKHKBKHGUIDVSK-LICLKQGHSA-N	442.899	4.535	50	40	IJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](C)Sc1ccc(Cl)cc1	409001898	XNMHEYLAMRRTBG-KOUDTOEKSA-N	434.949	4.725	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(Br)c(Br)o2)cc1	4132423	ZBTCFHOMJQJRCS-DJKKODMXSA-N	428.124	4.866	50	40	IJGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cccc(Br)c2)c1O	9355341	NZQSFGUERJVXSZ-DNTJNYDQSA-N	432.101	4.624	50	40	IJGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(Br)c4)CC(=O)N3C2)cc1	9693444	IVHXGNZHRYSIQR-SFHVURJKSA-N	440.366	4.977	50	40	IJGB	
CCCN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(OC)cc2)/C(=C/c2ccc(OC)cc2)C1	20129990	FVBNCSSBLXIBEE-FECOFQHFSA-N	443.547	4.575	50	40	IJGB	
COc1ccc(Br)cc1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	30840551	HFTXLORQDMHCMQ-OYKKKHCWSA-N	439.309	4.654	50	40	IJGB	
C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccccc1O	100927852	CHCSZLLCQVEENA-ONUIUJJFSA-N	426.476	4.515	50	40	IJGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(N2CCCCCC2)o1	408568533	KICRLWFYYGDDIY-HZHRSRAPSA-N	445.610	4.668	50	40	IJGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)n1	408975927	DAFUNHGULUKAGL-YBFXNURJSA-N	429.549	4.967	50	40	IJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OCc1ccc(C(=O)O)cc1	409185406	YPCRVLVWUOTXMZ-ZHZULCJRSA-N	428.444	4.518	50	40	IJGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	409372141	PBWPNLBKAKGAOB-RWPZCVJISA-N	426.907	4.907	50	40	IJGB	
CCOc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)cc1	1104569	AXXDPYYAQIEYCA-CAPFRKAQSA-N	441.487	4.648	50	40	IJGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)C(O)(c1ccccc1)c1ccccc1	8893699	CGFBCEWAIVWBBV-ZTKZIYFRSA-N	436.511	4.652	50	40	IJGB	
CCOc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1OC	9693271	FVYYPAHRRDPEJS-SFHVURJKSA-N	435.549	4.622	50	40	IJGB	
CCOC(=O)COc1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1OC	12273737	XNMBNHGFDWZPPU-OQLLNIDSSA-N	426.519	4.886	50	40	IJGB	
COc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OCCOc1cc(C)ccc1C	12285189	TVHZVKXQTRDPSG-KGENOOAVSA-N	446.503	4.586	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(N)=S)cc(Br)c1OCc1ccc(F)cc1	408543419	OYMDNEFNABGWFZ-AUWJEWJLSA-N	435.318	4.759	50	40	IJGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408890645	XCECRSWZNWCNGX-DEDYPNTBSA-N	441.443	4.977	50	40	IJGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21	408913607	VQUHVDOOXXGVCK-CLCAUBNZSA-N	425.532	4.999	50	40	IJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(NC(=O)c2ccccc2)c1C	409215515	AGDLUMCOLRSNGL-MOSHPQCFSA-N	432.911	4.996	50	40	IJGB	
COC(=O)c1cc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)ccc1Cl	409366569	WHLRAGJIFKHBTF-OPEKNORGSA-N	446.290	4.602	50	40	IJGB	
COc1ccc(C(=O)N/N=C2\CCN[C@@H]3CCCC[C@H]23)cc1COc1ccccc1Cl	33796094	MDTKETGJOMDZSA-SFFMRNFXSA-N	441.959	4.566	50	40	IJGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(=O)NCc4ccco4)cc3)[nH]c2cc1C	408604471	JRPBTVCLPMNEJU-XDHOZWIPSA-N	426.476	4.532	50	40	IJGB	
C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1	408707591	KUXAJVCBEFHDPN-BTADIOSESA-N	447.366	4.882	50	40	IJGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCC#N	408794474	JHIQNJGEWACPSH-MHWRWJLKSA-N	440.297	4.604	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)c(OC)c1	408880166	DSXZYRVGTGYOBC-LPYMAVHISA-N	429.520	4.643	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408953631	WUCRZUJJVCQRGB-BHGWPJFGSA-N	430.291	4.863	50	40	IJGB	
CCn1c(SCC(=O)N/N=C/c2cccc(F)c2)nnc1-c1ccc(C(C)(C)C)cc1	1888245	JHVBNCLJIBLUDV-AFUMVMLFSA-N	439.560	4.644	50	40	IJGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1cc2c(s1)CC[C@H](C)C2	3403346	IUSWWZHULFFWTB-HZZGJGATSA-N	426.973	4.843	50	40	IJGB	
O=C(N/N=C/c1ccccc1O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240585	QAKPQDGJGDBFLZ-TURZUDJPSA-N	427.548	4.611	50	40	IJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)cc1	408817101	ZQOHEUBBDFTANA-OGTCDWKQSA-N	439.515	4.797	50	40	IJGB	
COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OCc1ccccc1	408960726	IDBGHSWRNQFJSX-AFUMVMLFSA-N	445.431	4.693	50	40	IJGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)OC(C)C)c3)o2)cc1	409159705	WJRCVGXLTGBGOS-WPWMEQJKSA-N	448.519	4.993	50	40	IJGB	
COc1cccc(/C=N\NC(=O)Nc2ccc(C)cc2C)c1OCc1ccc(C(=O)O)cc1	409187229	NTQZCBOBAAWDGE-WGARJPEWSA-N	447.491	4.745	50	40	IJGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)COc2ccccc2)o1	409191493	XIRWAAOCMYJUJU-DHRITJCHSA-N	440.883	4.694	50	40	IJGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409228400	YKGLCLVDNRKXLA-PTNGSMBKSA-N	425.366	4.740	50	40	IJGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	2774164	SLTFSUQNGTXCMM-LSHDLFTRSA-N	434.235	4.934	50	40	IJGB	
C[C@@H](C(=O)N/N=C/c1cccn1-c1ccc(OC(F)(F)F)cc1)c1ccc([N+](=O)[O-])cc1	8873942	QVHWACOHMNRQHW-AZRQGOPLSA-N	446.385	4.538	50	40	IJGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc(OCCC(C)(C)OC)cc2s1	20132769	KWZFQFXDYRLSJZ-ZDUSSCGKSA-N	429.380	4.992	50	40	IJGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCc1cccc(C)c1	59334672	JJVFUAIZJKAQDZ-ZDLGFXPLSA-N	443.341	4.730	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C	59335427	GWHWWEDEJGFVAQ-UNOMPAQXSA-N	430.464	4.865	50	40	IJGB	
O=C(c1ccc(F)cc1)[C@H](Br)[C@H](Br)c1ccc([N+](=O)[O-])cc1	98042960	NLVLJSSQFKQBME-ZIAGYGMSSA-N	431.055	4.816	50	40	IJGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	408753503	JFZMYWCYNZZRNN-HMMYKYKNSA-N	432.501	4.617	50	40	IJGB	
N#C/C(=C\c1cccc(OS(=O)(=O)c2ccccc2)c1)C(=O)Nc1cccc(Cl)c1	408893183	CYMBMBTUBUNIJK-SFQUDFHCSA-N	438.892	4.653	50	40	IJGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CCSc1ccc(Cl)cc1	409003376	ZRRROFHXTKZAQB-HYARGMPZSA-N	434.949	4.727	50	40	IJGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2c(=O)sc2ccccc32)ccc1OC1CCCC1	8748661	XOHZERWKOVRVKR-NRFANRHFSA-N	446.528	4.810	50	40	IJGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	14408400	UZOFONRLQYUIGA-JVWAILMASA-N	439.475	4.828	50	40	IJGB	
CCCCCCCCC(=O)N/N=C(\C)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1	97965596	BQAMLBYWWHGLSW-RGTMNKAFSA-N	441.572	4.883	50	40	IJGB	
CCOc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCc1cccc(C)c1	409195588	RBHXHMOEOZNQLC-TUJXVDMFSA-N	427.504	4.730	50	40	IJGB	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1cc(C)c2ccccc2n1	4091502	UPWWTORBOUVMBC-SSDVNMTOSA-N	444.354	4.557	50	40	IJGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4cccc(Br)c4)CC(=O)N3C2)c1	9693441	CDBZEGJTJPTZPX-GOSISDBHSA-N	440.366	4.977	50	40	IJGB	
O=C(NNC(=O)c1ccco1)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1	40050843	NOBMOOUYWCEOGV-LTGZKZEYSA-N	444.512	4.922	50	40	IJGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	58886716	QTFOHQADRUIFCL-IXOWOOARSA-N	427.298	4.673	50	40	IJGB	
CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](C(=O)O)N2	229974337	HFXTYQITEZRVMW-RHFUSZHNSA-N	446.912	4.548	50	40	IJGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(OCc2ccccc2)cc1	408532853	RHMVNFWWWJNTLZ-CCVNUDIWSA-N	427.426	4.847	50	40	IJGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1Br	408677067	OWMHBKXKZYDAJZ-LFVJCYFKSA-N	443.389	4.659	50	40	IJGB	
O=C(N/N=C/c1cc(Cl)ccc1Nc1cccc(Cl)c1)C(=O)Nc1cccc(F)c1	408708088	OBHOPVKZLLWBAY-BRJLIKDPSA-N	445.281	4.965	50	40	IJGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C(=O)O)cc1	408818632	ODEUYCHMWQTUJM-UNOMPAQXSA-N	446.434	4.657	50	40	IJGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3C)c2C)c(OC)c1	408871522	YPCJPXIDFKJDRK-LPYMAVHISA-N	429.520	4.643	50	40	IJGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408877647	XBOSWZHLYILJRG-MTDXEUNCSA-N	427.548	4.798	50	40	IJGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	409178644	LUZQIXGSHJMBQX-LGJNPRDNSA-N	446.438	4.509	50	40	IJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1OC	2669845	DANIUCHIFXYJAF-GZTJUZNOSA-N	442.537	4.885	50	40	IJGB	
C=CCOc1c(Br)cc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20764881	DJXUPJXVLVLAEJ-OEAKJJBVSA-N	447.329	4.575	50	40	IJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1	33644626	LDJFEDJFAYIPFA-VULFUBBASA-N	442.431	4.708	50	40	IJGB	
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2cc(C)n(-c3cccc(F)c3)c2C)cc1	83299764	CQJRNGOBYMLQRL-UJBXUPAJSA-N	437.515	4.596	50	40	IJGB	
COc1ccc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1OC	100019309	IONBJZXZEQWLEE-QAJUQPOASA-N	434.399	4.832	50	40	IJGB	
C[C@@]12CCC[C@H]1[C@@H]1CC(=O)[C@H]3[C@H](Br)C(=O)[C@H](Br)C[C@]3(C)[C@H]1CC2	118925080	OQUKHIQVQFXNRS-MHVLCWHDSA-N	446.223	4.914	50	40	IJGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C	408810970	KSRGKYGPOXTHNU-BOPFTXTBSA-N	434.427	4.696	50	40	IJGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)cc2)cc1	408905198	VAMBIHCTELGUHQ-QFEZKATASA-N	429.432	4.992	50	40	IJGB	
CCOc1cc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1	409139646	CEWULBPMKBOQDT-VWLOTQADSA-N	443.547	4.703	50	40	IJGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)cc1	409203441	XZANQEHDTLWIOP-MOSHPQCFSA-N	443.459	4.994	50	40	IJGB	
COc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)c([N+](=O)[O-])c1	409270263	OJWMQNOPBDVLRU-MFKUBSTISA-N	435.480	4.854	50	40	IJGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)cc1OCC	409314027	DQWAGTAOXPZSDY-IMRQLAEWSA-N	430.504	4.993	50	40	IJGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)Cn1c(-c2ccccn2)nc2ccccc21	1247833	OGEJEFVFRBEJHA-STBIYBPSSA-N	449.514	4.801	50	40	IJGB	
COc1cc(C(=O)N/N=C/c2ccccc2Oc2ccc(Cl)cc2)cc(OC)c1OC	8781745	CAKVMNBLQAJTCG-AFUMVMLFSA-N	440.883	4.922	50	40	IJGB	
O=C(N/N=C/c1ccccc1Br)c1ccc(CN2CCc3ccccc3C2)cc1	14165925	VYYVQTKSAKBGLA-CVKSISIWSA-N	448.364	4.771	50	40	IJGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1	59473575	BQKSKRHVVFZNFT-CVKSISIWSA-N	432.545	4.906	50	40	IJGB	
CCOc1ccc(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(F)cc2F)cc1	606422457	LPJZFMPIMAFFAU-QHCPKHFHSA-N	448.425	4.801	50	40	IJGB	
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)o2)C2=C(CCCC2=O)N1	4761481	BOFWAPUWDVBRQV-QHCPKHFHSA-N	447.560	4.951	50	40	IJGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)CCc3ccccc3)cc2)cc1	12406180	HLHUGLUKGBVUHN-UHFFFAOYSA-N	443.547	4.630	50	40	IJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(OC)c(Cl)cc2OC)c(OC(C)C)c1	408829803	OUDJIOUNPVRURW-OVCLIPMQSA-N	430.888	4.699	50	40	IJGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1	408944818	VQQWPNXTIYRQLO-LGJNPRDNSA-N	436.943	4.762	50	40	IJGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)c1C	409200097	GOPXAVOEFWENCY-WYMPLXKRSA-N	442.924	4.937	50	40	IJGB	
O=P(CCOP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	2278838	YFPLWFCRBAXQAY-UHFFFAOYSA-N	446.423	4.946	50	40	IJGB	biogenic
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C(=O)O)o3)c(OC)c2)cc1	35225908	QAJDOPVUQYSDEB-PDGQHHTCSA-N	446.459	4.673	50	40	IJGB	
CCN1c2cc(C)c(/C=N\NC(=O)COc3ccccc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C	223575953	DVTVVBTZFIUJQL-MQKZQLNTSA-N	438.528	4.544	50	40	IJGB	
Cc1ccc(C)c(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c1	408708291	OUEGTRUDDVHAGF-ZGFVEPFRSA-N	440.975	4.845	50	40	IJGB	
C=CCc1cc(/C=C(/C#N)c2cccc(Br)c2)cc(OC)c1OCC(=O)O	408850543	BRKHIBHOFDZCPG-MFOYZWKCSA-N	428.282	4.714	50	40	IJGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)cc1	408965514	HYYCGRNDIWKFMJ-LQKURTRISA-N	431.515	4.715	50	40	IJGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C(=C/c2ccccc2)c2ccccc2)c(OC)c1	951088	FLHSZFGKYFGNLJ-QAOSGDJLSA-N	439.467	4.921	50	40	IJGB	
CCc1sc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1COc1ccccc1Cl	1009243	MPFOQHBLKIARAA-IBGZPJMESA-N	426.929	4.793	50	40	IJGB	
O=C(OC[C@@H]1O[C@@H](Cl)C[C@H]1OC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	1725729	QEHCZULNFYDPPL-IXDOHACOSA-N	429.683	4.730	50	40	IJGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)cc1	30820840	GWYXGEYLVWAGFD-QRKUKRBDSA-N	430.504	4.948	50	40	IJGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1O	67192539	MBBVDHVVMIDULF-GZIVZEMBSA-N	431.703	4.589	50	40	IJGB