smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1Cl	5567309	OMIKYYWXJBLEGN-FBCYGCLPSA-N	345.588	4.550	50	40	EJGB	
N#C/C(=C(/S)Nc1ccccc1F)c1nc2ccccc2s1	12504596	FZFOMLGDXHOIDR-GDNBJRDFSA-N	327.409	4.669	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1C	59133240	IPTAXEWEPVEJHQ-LDADJPATSA-N	334.419	4.636	50	40	EJGB	
Cc1ccc2c(c1)[C@H](Cl)[C@@H](Cl)[C@H](C)N2C(=O)c1ccccc1	4837589	MOYBLVBLCSVNJJ-ZLIFDBKOSA-N	334.246	4.931	50	40	EJGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1	33402620	XJLZVSMYACYBOE-SSZFMOIBSA-N	338.382	4.550	50	40	EJGB	
Cc1c(Cl)cccc1N/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	57414166	GZHKCGQTJWVYGQ-BENRWUELSA-N	346.217	4.760	50	40	EJGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)c(C)cc2C)cc1	216069441	QLJQVIPYYHPRKC-OQKWZONESA-N	338.451	4.555	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c2ccccc12	408743807	BUFKJAZPPZIZDD-LGMDPLHJSA-N	342.398	4.703	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1	4705173	DFBVEQIZCIGRAX-VBKFSLOCSA-N	346.361	4.940	50	40	EJGB	
O=C(CSC1c2ccccc2-c2ccccc21)NN=C1CCCC1	20247378	CPRWESCZQBKSMX-UHFFFAOYSA-N	336.460	4.536	50	40	EJGB	
CCOc1cc(/C=C(/C#N)C(=O)c2ccsc2)cc(Cl)c1OC	48366782	WLECJDKOHUUKEZ-MLPAPPSSSA-N	347.823	4.599	50	40	EJGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1	16322728	YMWYMNRMBKJLAZ-CQSZACIVSA-N	348.233	4.625	50	40	EJGB	
O=C(N/N=C/c1cccnc1)Nc1ccc(/N=N/c2ccccc2)cc1	18083828	STUUPUVACZDWKN-IZSQXYTLSA-N	344.378	4.653	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)c1	59137641	RQBLGFVRMAUQKN-VBKFSLOCSA-N	346.361	4.940	50	40	EJGB	
N#C/C(=C/C1=Cc2ccccc2OC1)c1nc(-c2ccncc2)cs1	70039595	DUBLGPXMJGVXHA-YVLHZVERSA-N	343.411	4.588	50	40	EJGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	1453855	OCGHFRKCIUSUEI-XNTDXEJSSA-N	340.810	4.673	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)s1	5618525	QJWZSUKTFBZBKO-RQZCQDPDSA-N	327.236	4.517	50	40	EJGB	
CCCCCCCCCCCC[C@@H](CCl)OCCOCCO	100077102	PUQNRVGIXUEPBI-SFHVURJKSA-N	336.944	4.930	50	40	EJGB	
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CCl	494769	BLQNOCSHZVXSLN-FQEVSTJZSA-N	327.855	4.747	50	40	EJGB	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1	1766480	RKEKSVPOTYIUJJ-NBVRZTHBSA-N	334.419	4.583	50	40	EJGB	
Cc1ccc(C(=O)Nc2cccc(/C=C(\C#N)c3ccccn3)c2)cc1	12531619	QHLKULIFEGMXBN-CPNJWEJPSA-N	339.398	4.707	50	40	EJGB	
CN1C=CC=C/C1=C(/C#N)c1ncc(-c2ccc(Cl)cc2)s1	103688191	NVCGJDCAQQTRDF-CCEZHUSRSA-N	325.824	4.713	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1	408580817	DZTPJUMHPLFPQG-OQLLNIDSSA-N	343.810	4.820	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1	59475006	IXWSYKQFXWCZAT-RGEXLXHISA-N	347.462	4.695	50	40	EJGB	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2cc3ccccc3cc2O)C1	100006846	NBFSKQNISYOHDF-RHNCAKJLSA-N	334.419	4.564	50	40	EJGB	
COc1cccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c1OC(C)C	4539109	QQTQHKLEFPTTQY-WJDWOHSUSA-N	347.418	4.731	50	40	EJGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)Cc2cccc3ccccc23)C1	12404052	ICNXMIKRQIZCCC-MLSMKVKPSA-N	332.447	4.787	50	40	EJGB	
CC(/C=N/NC(=O)c1ccc(Cl)cc1Cl)=C\c1ccccc1	13953713	XXAOIPTVDRGEBS-CVKVKLAESA-N	333.218	4.813	50	40	EJGB	
CC(C)N(c1ccccc1)c1ccc(NC(=O)NCCCl)cc1	3225606	MGDUMJGIXXZESW-UHFFFAOYSA-N	331.847	4.593	50	40	EJGB	
COc1ccc2cc(/C=C(\C#N)c3nc4ccccc4n3C)ccc2c1	12727914	WJIKCTAOMAYPEY-LDADJPATSA-N	339.398	4.799	50	40	EJGB	
Cc1ccc(/C(C#N)=C2/C=C(Br)/C(=N/O)C=C2Cl)cc1	16970291	HIKCLHSDCTZZBA-BDXFUOSDSA-N	349.615	4.518	50	40	EJGB	
C[C@H](Cl)CN(Cc1cc(C(C)(C)C)ccc1O)C[C@@H](C)Cl	1724253	AAZMHLDCDWZLOL-BETUJISGSA-N	332.315	4.746	50	40	EJGB	
COc1ccc(C(=O)Cl)cc1COc1cccc(Cl)c1Cl	2521304	QUSGXMXTWWDJSO-UHFFFAOYSA-N	345.609	4.960	50	40	EJGB	
N#C/C(=C/c1cccc(Cl)c1Cl)c1nc(N)c2ccccc2n1	97046312	FGNBNSPJLAFYNX-FLIBITNWSA-N	341.201	4.583	50	40	EJGB	
CC1=C2CC[C@]3(C)C(=C2OC1=O)C(C)=C(Cl)[C@@H](Cl)[C@H]3Cl	5706935	CFCSBRUZYMZASC-UXIGCNINSA-N	333.642	4.655	50	40	EJGB	
CC(C)(C)OC(=O)N[C@H](CCBr)c1cccc(Cl)c1	35633058	FFGMBEZRJQVJJC-GFCCVEGCSA-N	348.668	4.691	50	40	EJGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)CBr	5531053	AYIUSXHCQDHPHG-UHFFFAOYSA-N	349.011	4.534	50	40	EJGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	143435	ZBJLSNIPCZTPBU-QGOAFFKASA-N	334.419	4.754	50	40	EJGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	1830078	AACRFAGMIIUOAW-SFQUDFHCSA-N	345.427	4.989	50	40	EJGB	
COc1c(Cl)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Cl	6735437	MDUKRUSLOHIHRX-XGICHPGQSA-N	349.173	4.974	50	40	EJGB	
CCCCCCN(CCCCCC)P(=O)(N1C[C@H]1C)N1C[C@H]1C	301054381	BAGZNOOTSMIWGJ-BTCKZYTISA-N	343.496	4.965	50	40	EJGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	4503317	PQOBSYHCSYSFGG-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	5370257	CCRCFXORVCNIEE-FYJGNVAPSA-N	328.843	4.792	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	5597573	URRDGQWELTYKCU-NTCAYCPXSA-N	340.810	4.674	50	40	EJGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1nc2ccccc2[nH]1	6420611	SURSCVKLGZYEFH-WJDWOHSUSA-N	346.409	4.675	50	40	EJGB	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	6956423	HTXYGRMDMOXYPK-GDNBJRDFSA-N	344.336	4.813	50	40	EJGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1nc2ccc(F)cc2[nH]1	408567444	NKKWTYKSANSUGY-OQFOIZHKSA-N	348.164	4.779	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cc(C)ccc1C	408589796	MWHNMWAUPCVAQV-UDWIEESQSA-N	335.234	4.764	50	40	EJGB	
[C-]#[N+][C@@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1	101659962	VUMDJYQJOYZURM-OAHLLOKOSA-N	340.231	4.694	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	409266817	LETFKEWZXGAWRP-HYARGMPZSA-N	342.870	4.720	50	40	EJGB	
Cc1cc(C(=O)[C@@H](C)Cl)c(C)n1-c1ccc(OC(F)F)cc1	3887386	DJCARZPPCAKQEL-SNVBAGLBSA-N	327.758	4.506	50	40	EJGB	
CC(C)(C)c1cc(C(=O)Cl)n(Cc2ccc(Cl)cc2Cl)n1	4291241	HZVOAGUTHDHWSB-UHFFFAOYSA-N	345.657	4.915	50	40	EJGB	
CC(C)=CCC/C(C)=C/C=N/NC(=O)c1cc2ccccc2cc1O	2057843	LUSGZIYPXAIGSU-YPEWDWCYSA-N	336.435	4.954	50	40	EJGB	
CC(C)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408568044	RTMCYPGQNWCINT-DHDCSXOGSA-N	335.382	4.801	50	40	EJGB	
Cc1nc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc2[nH]1	42060106	AZDAUTCBYJJBDG-CYBMUJFWSA-N	335.498	4.524	50	40	EJGB	biogenic
CCCCC(=O)N/N=C/c1ccccc1OCc1ccccc1Cl	3178765	HHNNHSIHQVCREC-FYJGNVAPSA-N	344.842	4.559	50	40	EJGB	
CCCCCCSC1=C(C#N)C2(CCC(C)CC2)[C@H](C#N)C(=O)N1	4133368	WLFMWNBXGPYKNO-XAUUPUKJSA-N	345.512	4.501	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@@H](c2sccc2C)CC(=O)N1	9015346	UWFAENVTDGMHAQ-ZDUSSCGKSA-N	334.510	4.709	50	40	EJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1	6956916	CHWCPPZTOVOCGR-QGOAFFKASA-N	334.419	4.582	50	40	EJGB	
O=C(CCCC[C@@H]1CCSS1)Nc1nc2ccccc2s1	25402993	ZVSOPSBKGUOHHA-LLVKDONJSA-N	338.523	4.949	50	40	EJGB	
O=C(CCl)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1	882059	VLPAWHAAIRULNI-UHFFFAOYSA-N	342.851	4.582	50	40	EJGB	
COc1ccc2c(c1)Cc1cc(N(CCCl)CCCl)ccc1-2	1694599	CGCCLGODAMGOKZ-UHFFFAOYSA-N	336.262	4.550	50	40	EJGB	
CN1/C(=C/C2=CC(=C(C#N)C#N)c3ccccc3O2)C=Cc2ccccc21	32679276	TYBRDPDMEVJKOX-LDADJPATSA-N	349.393	4.811	50	40	EJGB	
O=C(Cl)c1ccc2nc(-c3ccc(Br)cc3)oc2c1	70461570	REXRYEVEOFJELV-UHFFFAOYSA-N	336.572	4.636	50	40	EJGB	
COc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	98008708	ZSTSQKSINOYWSU-MDWZMJQESA-N	336.778	4.620	50	40	EJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12	408810207	LRTCDHWGOOTRPU-GXDHUFHOSA-N	349.821	4.984	50	40	EJGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)o1	4175162	RAAYAQCYCMCTRN-JYRVWZFOSA-N	337.360	4.684	50	40	EJGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(C(C)C)cc3)cc2c1	366207	PSOMRKQUKLNWLS-YDZHTSKRSA-N	345.446	4.739	50	40	EJGB	
N#CC(C#N)=Cc1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	6225723	OXKMJFVRYAUETD-UHFFFAOYSA-N	341.779	4.830	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(C=C(C#N)C#N)cc2)cc1	17086136	BPCVBCHZZDTAIN-UHFFFAOYSA-N	330.387	4.634	50	40	EJGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	33923561	YFUQIMRKYGBLJU-YBEGLDIGSA-N	348.427	4.891	50	40	EJGB	
COc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	58822663	TXBPTRLLVVXHSV-WUXMJOGZSA-N	349.173	4.974	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C(C)C)cc1	140392	KVMYJQHYMTYMQW-SFQUDFHCSA-N	334.419	4.673	50	40	EJGB	
CCc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1	5658379	ILRLLQLSELESFZ-BRYHAGSVSA-N	343.430	4.515	50	40	EJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	211524220	WEJCTSJBSQLNBP-GHXNOFRVSA-N	347.201	4.548	50	40	EJGB	
CCn1c(C)cc(/C=C(\C#N)c2ccc(Br)cc2)c1C	4689984	UJGPWXFBERDMNR-MHWRWJLKSA-N	329.241	4.952	50	40	EJGB	
C/C(=N/NC(=O)c1ccccc1-n1cccc1)c1ccc(C(C)C)cc1	13285945	BVQBJJANSYLAGK-QJOMJCCJSA-N	345.446	4.755	50	40	EJGB	
Cn1c(/C(C#N)=C/c2ccc(Cl)cc2Cl)nc2ccccc21	3945088	GNTVUAVJUCNNLU-XYOKQWHBSA-N	328.202	4.944	50	40	EJGB	
C=CCOc1ccc(C(=O)c2ccccc2)c(O[Si](C)(C)C)c1	198324883	DGJKGEKUMAKNMG-UHFFFAOYSA-N	326.468	4.696	50	40	EJGB	
N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1cccc(C#N)c1	408568888	XHLUQILWMXMEHU-WQRHYEAKSA-N	340.338	4.581	50	40	EJGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cccc2ccccc12	31672169	LUDKTUSUPNBJNY-NHDPSOOVSA-N	343.213	4.911	50	40	EJGB	
O=c1[nH]c2ccccc2nc1[C@@H](Cl)c1ccc(Cl)cc1Cl	3154953	FJXVUHCJYXRDPP-ZDUSSCGKSA-N	339.609	4.558	50	40	EJGB	
N#CC(C#N)=C(Nc1ccccc1)SCc1ccccc1Cl	4663180	GVFCFJKDOYNINI-UHFFFAOYSA-N	325.824	4.944	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	5698421	HWCMLOMJHTZXDT-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
CC1=C2CC[C@]3(C)C(=C2OC1=O)C(C)=C(Cl)[C@@H](Cl)[C@@H]3Cl	5706937	CFCSBRUZYMZASC-OSAQELSMSA-N	333.642	4.655	50	40	EJGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(C(C)C)cc2s1	20132371	OALJZZKQDQHBAB-SNVBAGLBSA-N	341.274	4.532	50	40	EJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccoc3C)o2)cc1Cl	67192617	OSIGVBVNPPTWMW-KEBDBYFISA-N	342.782	4.574	50	40	EJGB	
N#C/C(=C\c1ccccc1Sc1ccccc1)C(=O)NC1CCCC1	409195469	UZTFMKHYDKRILC-SAPNQHFASA-N	348.471	4.804	50	40	EJGB	
C[C@H]1C/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)CC(C)(C)C1	5445804	JNEVIBRVWJOZJO-GBPUDXIESA-N	344.499	4.681	50	40	EJGB	
O=C(N/N=C\c1ccccc1Cl)C(c1ccccc1)c1ccccc1	38198223	BEZPXEORTWUKNP-HAHDFKILSA-N	348.833	4.622	50	40	EJGB	
N#C/C(=C(\S)Nc1ccc(F)cc1F)c1nc2ccccc2s1	96996704	OMOFPUPHTVCBEI-XNTDXEJSSA-N	345.399	4.809	50	40	EJGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1Cc1ccco1	7000953	LEJBLJSNWSWSDP-GZTJUZNOSA-N	342.402	4.687	50	40	EJGB	
CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)CCl)cc1	12504996	IEYRQDZDIHXTRL-UHFFFAOYSA-N	340.206	4.708	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Cl	408778167	PWXJOKNSTUNYFE-RIYZIHGNSA-N	337.810	4.906	50	40	EJGB	
CC[C@@H](Cl)C(=O)c1ccc(Br)cc1OC(F)(F)F	575362631	NIAPZVOIFYPFSU-MRVPVSSYSA-N	345.542	4.548	50	40	EJGB	
O=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1Cl	4151271	RMVADNOEDAVJPA-UHFFFAOYSA-N	347.805	4.798	50	40	EJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	408810723	JMQQQXFWYMAKPA-COYFKBPASA-N	328.415	4.815	50	40	EJGB	
Fc1c(Br)ccc(C(F)(F)F)c1CBr	258837522	TXWYTOKJVPZDAU-UHFFFAOYSA-N	335.920	4.502	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(C(F)(F)F)c2)cc1	5751676	GXQNPSAXJQBVJS-ZROIWOOFSA-N	330.309	4.560	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1	3114981	FIBGZJYROCDIQD-HZHRSRAPSA-N	330.431	4.656	50	40	EJGB	
CC(=O)N(c1nc(CCl)cs1)c1c(C)cc(C)cc1Cl	3394223	IAHDUHMQVQNYRB-UHFFFAOYSA-N	329.252	4.837	50	40	EJGB	
O=C(N/N=C/C=C/c1ccco1)c1ccc(-c2ccc(F)cc2)s1	63372143	PMWQWBNYEIPRQE-MNQDNHDBSA-N	340.379	4.576	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)c(C)c1	59250231	DUJLFJGUWRPCDD-SFQUDFHCSA-N	343.430	4.649	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)cc1Cl	408796542	PCOHJWJGAUYURO-WUXMJOGZSA-N	347.201	4.553	50	40	EJGB	
C=CCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC	5045632	JXMXEJUYIKKFAR-PTNGSMBKSA-N	348.427	4.934	50	40	EJGB	
Cc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	211404891	OZGZEADGLSXXOR-ZROIWOOFSA-N	330.309	4.560	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(Br)cc3)nc2c1	16348315	KHTASHIGEYSVMP-UKTHLTGXSA-N	338.208	4.698	50	40	EJGB	
COc1cc2c(cc1/C=C(/C#N)c1ccc3ccccc3c1)OCO2	6453883	UJMDFZKIAGWWDG-NVMNQCDNSA-N	329.355	4.641	50	40	EJGB	
CCOc1ccc2oc(C(=O)N/N=C\C(C)=C\c3ccccc3)cc2c1	33375553	CXPZAQXKEOTAMB-JMULCRQKSA-N	348.402	4.651	50	40	EJGB	
CCCCCOc1ccc(Br)cc1CBr	36894724	KKPGDCKZGNUXSL-UHFFFAOYSA-N	336.067	4.913	50	40	EJGB	in-vitro
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	59116851	HPFIZYLHKYWYDC-PTNGSMBKSA-N	340.810	4.674	50	40	EJGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OC	409067274	CFWVFTBCYUABDG-LFIBNONCSA-N	346.386	4.638	50	40	EJGB	
COc1cc(C=C(C#N)C#N)ccc1OCc1cccc2ccccc12	68904	BGNIBVNSJWRPMI-UHFFFAOYSA-N	340.382	4.858	50	40	EJGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(SC)cc3)c2c1	40139901	YPRWQUBDPWQEDE-ZROIWOOFSA-N	348.427	4.688	50	40	EJGB	
O=C(CCCCCBr)c1cc(F)c(Cl)c(F)c1	575357499	HMZMRXSLFXVOPL-UHFFFAOYSA-N	325.580	4.756	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)c(C)c1	13965837	OPVXMFZNZOGJFY-UDWIEESQSA-N	335.234	4.764	50	40	EJGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c(O)ccc2ccccc12	408782891	KVSYYAJLVUMOLO-ATVHPVEESA-N	342.398	4.708	50	40	EJGB	
O=[N+]([O-])c1ccc(S[C@@H]2CCCCCC[C@@H]2Cl)c([N+](=O)[O-])c1	1638428	ASPCBQHUIMIRPT-WCQYABFASA-N	344.820	4.925	50	40	EJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1)c1ccccc1	33406385	YGPNKDZUISORSK-CDCQXCROSA-N	345.229	4.778	50	40	EJGB	
O=C(c1ccc(Br)c(F)c1)[C@@H](Cl)c1ccccc1	127007438	LLGYLWRGUNXOGK-ZDUSSCGKSA-N	327.580	4.751	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2O)cc1	409056680	NHRHTCOGNVRYEJ-WUXMJOGZSA-N	347.201	4.553	50	40	EJGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	114786	KMJQSVQECIGPTC-SDNWHVSQSA-N	348.789	4.744	50	40	EJGB	
Cc1ccc(-c2ccc(/C=C/C(=O)Cl)o2)c(Br)c1	57353772	USMVUJOWWARKJD-QPJJXVBHSA-N	325.589	4.796	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)c1	301209	RETOGDSCWYACEY-GHRIWEEISA-N	328.371	4.801	50	40	EJGB	
O=C(/C=C/c1ccc(Cl)c(Cl)c1)Oc1ccc([N+](=O)[O-])cc1	6153316	BGDFOQCVQPMFKP-KRXBUXKQSA-N	338.146	4.520	50	40	EJGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccccc2)o1	5547492	VOHXEARPLNKYGM-CIAFOILYSA-N	338.794	4.672	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)o1	45820289	WPYIXQOJCPKJFE-PTNGSMBKSA-N	334.423	4.683	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)c1	408570517	WHQSLQSMBLFYLB-WJDWOHSUSA-N	348.425	4.921	50	40	EJGB	
O=C(N/N=C/C(Cl)=C/c1ccccc1)c1cc2c(s1)CCCC2	2658674	VMVPICTVOWMVDJ-AZFHKVEGSA-N	344.867	4.622	50	40	EJGB	
ClCCN(CCCl)c1ccc(/C=N/CC2CCCCC2)cc1	1621677	CKXVYBGPFDPXDH-RCCKNPSSSA-N	341.326	4.970	50	40	EJGB	
O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H](Cl)c1ccccc1	3276857	RWMWPJDDMGQKHM-OAHLLOKOSA-N	346.814	4.868	50	40	EJGB	
CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1	4499012	MIWYYFNEORSTDO-ATVHPVEESA-N	331.444	4.940	50	40	EJGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O1	16322730	YMWYMNRMBKJLAZ-AWEZNQCLSA-N	348.233	4.625	50	40	EJGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)c(Cl)cc1OC	5980195	ZDSDPFLUKKUGFT-JYRVWZFOSA-N	331.774	4.951	50	40	EJGB	
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)C1CCCCC1	2134795	LKIMVGJYOBOJNH-BWKRGVPMSA-N	332.447	4.801	50	40	EJGB	
C/C(=N/NC(=O)CCc1ccccc1)c1ccc(-c2ccccc2)cc1	6157579	VIUMHLIOBACASS-MOHJPFBDSA-N	342.442	4.827	50	40	EJGB	
CCCCCOc1ccc(C)cc1CN(CCCl)CCCl	64587589	RARVXOGFGVCHLE-UHFFFAOYSA-N	332.315	4.844	50	40	EJGB	
CCCCCCCC(=O)N/N=C/c1ccc(OC/C=C/Cl)cc1	3148441	HSETWIZMAUYJOU-KRVUNHTGSA-N	336.863	4.629	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1	4739869	GHWMETFGECMCPP-LFIBNONCSA-N	336.354	4.759	50	40	EJGB	
O=C(N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@H]1C2)c1ccccc1Cl	100389785	DJNVZWGUZOHXRE-BTWVVVFHSA-N	348.833	4.715	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	4196169	QZOHCCVGGKSKCO-GHRIWEEISA-N	342.398	4.703	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1	5525514	DKRQQDYFZIVIBV-SAPNQHFASA-N	331.419	4.816	50	40	EJGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)N1CCCC1	409368181	OLANXOOPZUNHDE-NBVRZTHBSA-N	326.399	4.522	50	40	EJGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(C)c(C)c1	5617996	YDMWDPJVTOCEKU-HAVVHWLPSA-N	330.431	4.540	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	16292963	QZOHCCVGGKSKCO-LGMDPLHJSA-N	342.398	4.703	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccccc1Cl	5604498	KCPVTYVDMKTMGM-HYARGMPZSA-N	334.806	4.771	50	40	EJGB	
COc1ccc(C(=O)Cl)cc1OCc1cccc2ccccc12	218721525	LMZNKTIBMFBUBR-UHFFFAOYSA-N	326.779	4.806	50	40	EJGB	
CC(C)(C)C1CCC(=NNC(=O)CCSc2ccccc2)CC1	408866643	IOHYOVWGVWOCJT-UHFFFAOYSA-N	332.513	4.877	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccccc1Cl	20754503	GMTIZTVVTPWFMM-SRZZPIQSSA-N	342.757	4.503	50	40	EJGB	
CCOc1ccc(/C=N/C2=C(C#N)[C@H]3CCCC[C@@H]3S2)cc1OC	100901915	BNYMNUMUBJTVOL-ROTSCOARSA-N	342.464	4.554	50	40	EJGB	
O=C(N/N=C\c1ccc(-c2ccccc2)cc1)c1cc2ccccc2o1	33308093	GAAZHASULQENFY-HAHDFKILSA-N	340.382	4.864	50	40	EJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2c(C)cc(C)cc2C)c1	408744173	DHXKFOAGPMEVSL-BOPFTXTBSA-N	334.419	4.556	50	40	EJGB	
O=C(N/N=C/C(Cl)=C\c1ccccc1)c1cc2c(s1)CCCC2	35168164	VMVPICTVOWMVDJ-FRWVWPQNSA-N	344.867	4.622	50	40	EJGB	
N#C/C(=C\c1cc(Cl)ccc1O)c1ccc(Br)cc1	408581226	VGFBVPDAXSBXIM-KPKJPENVSA-N	334.600	4.872	50	40	EJGB	
CC/C(=N/NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1	4897668	LABIIWLLHYPJLD-CLCOLTQESA-N	343.430	4.656	50	40	EJGB	
Cc1cc(-c2csc(NC=C(C#N)C#N)n2)c(C)n1CCC(C)C	7066948	XPURPHRZPOOIDJ-UHFFFAOYSA-N	339.468	4.618	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C(C)(C)C)cc1	20194723	HEDWYCRYUNNOTQ-HAVVHWLPSA-N	336.479	4.684	50	40	EJGB	
CCCCCO[C@H]1CC(F)(F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	215669868	PQEUTYKKLJXARC-LPEHRKFASA-N	326.708	4.869	50	40	EJGB	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(SC(F)F)cc2)o1	3172523	LHIDNLNUPSLTRX-FMIVXFBMSA-N	349.358	4.731	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408922871	HEDVMLFXPDRGNF-RVDMUPIBSA-N	340.810	4.593	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	4174918	NDJCAGCJDJEOTP-YBEGLDIGSA-N	348.427	4.891	50	40	EJGB	
Cc1cc(N(C)CCCl)ccc1/N=N/c1ccccc1C(=O)O	4773902	FONSTHKLWINFKT-FMQUCBEESA-N	331.803	4.784	50	40	EJGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(C(C)C)cc1	100195445	KIBNSBPIAVMJPW-MFOYZWKCSA-N	340.430	4.819	50	40	EJGB	
N#C/C(=C\c1c(Cl)cccc1Cl)c1nc(O)c2ccccc2n1	3899749	NBELDLWWDZWNDH-CSKARUKUSA-N	342.185	4.706	50	40	EJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1cccc(C#N)c1	408568451	UQLOVODLOXEAJY-XSFVSMFZSA-N	334.378	4.788	50	40	EJGB	
Fc1cc(CBr)c(Br)cc1C(F)(F)F	575689883	KIGUAZAXSGVSPA-UHFFFAOYSA-N	335.920	4.502	50	40	EJGB	
CCOC(=O)c1c(C(C#N)=C2CCCCC2)nc2ccccc2c1C	48229464	CYHYPAJPCLWGNK-UHFFFAOYSA-N	334.419	4.961	50	40	EJGB	
Cc1cc(C)c2oc(-c3cccc(NC(=O)CCl)c3C)nc2c1	216858696	GBHBBLYSBRQVRU-UHFFFAOYSA-N	328.799	4.597	50	40	EJGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccccc1	408739349	VSSDBMUZMGPHES-ATVHPVEESA-N	343.342	4.846	50	40	EJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1	1452667	ZQZHXDGXIDLYGX-SAPNQHFASA-N	348.446	4.928	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C	100743086	YTVVIHAUIVTBQY-DLRJPAPCSA-N	336.516	4.729	50	40	EJGB	biogenic
N#Cc1c(NC(=O)CCl)oc(-c2cccs2)c1-c1cccs1	3276816	JBBFTASYEYCWBZ-UHFFFAOYSA-N	348.836	4.786	50	40	EJGB	
C=C1CC(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C1	408730479	RFWAYDULBXIJOB-AWQFTUOYSA-N	349.217	4.670	50	40	EJGB	
N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1	4808570	DRYUPFOQUQILSG-SDNWHVSQSA-N	348.387	4.695	50	40	EJGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1	13648186	JJUXLPJJPGTJEI-BOPFTXTBSA-N	346.411	4.661	50	40	EJGB	
Cc1c2ccccc2c(/C=N/NC(=O)c2ccco2)c2ccccc12	6188521	KRFILRUMVZBSPC-LPYMAVHISA-N	328.371	4.658	50	40	EJGB	
CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(CCl)cs1	38342155	RDAWMRIUYZEKHG-UHFFFAOYSA-N	334.750	4.585	50	40	EJGB	in-vitro
CC(=O)n1c2ccc(Cl)cc2c2ccc(C(=O)[C@H](C)Cl)cc21	38297932	MUUAMUZKWBQPCO-VIFPVBQESA-N	334.202	4.918	50	40	EJGB	in-vitro
C=C1CC(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1	408731199	YOXYPMLINIVYJE-AWQFTUOYSA-N	349.217	4.670	50	40	EJGB	
Cc1nc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc2[nH]1	42060108	AZDAUTCBYJJBDG-ZDUSSCGKSA-N	335.498	4.524	50	40	EJGB	biogenic
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408790365	PHBUAJJQALBVOY-KPKJPENVSA-N	347.201	4.548	50	40	EJGB	
CCC/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(OCC)cc1	5296935	YUKSSKMQVHCVEI-DYTRJAOYSA-N	344.842	4.673	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	2771676	KXSITXWQFPWZOO-FSJBWODESA-N	348.368	4.767	50	40	EJGB	
CC(=O)O[C@H]1c2ccc(cc2)CCc2ccc(cc2)[C@@H]1Br	3136906	VBFBMEDMURDRIK-ROUUACIJSA-N	345.236	4.526	50	40	EJGB	
O=C1[C@@H](Br)CCCCC1(c1ccccc1)c1ccccc1	5014794	OJYYJFFPDRCKLR-KRWDZBQOSA-N	343.264	4.879	50	40	EJGB	
COc1ccc2nc(/C=C(\C#N)c3nc4ccccc4s3)ccc2c1	9304522	ZWBDYSNHBNJSHB-GXDHUFHOSA-N	343.411	4.917	50	40	EJGB	
COc1cc(/C=C/C#N)ccc1OCc1ccc(Br)cc1	33646115	YEQNASMFQUGYOM-NSCUHMNNSA-N	344.208	4.573	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)Nc1ccccc1	58822601	FLRNVJHKFXQNFR-UDWIEESQSA-N	339.782	4.756	50	40	EJGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc1	5370317	RZCZZFDCHUOOBH-XQNSMLJCSA-N	344.414	4.516	50	40	EJGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(F)cc1	33246580	VHRCZUHOUHMDFC-OYKKKHCWSA-N	342.373	4.896	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc([N+](=O)[O-])cc1	33899890	AMRNTEKGVZHAFK-WJDWOHSUSA-N	341.326	4.791	50	40	EJGB	
C(=N\CCSSCC/N=C/c1ccccc1)\c1ccccc1	104242374	SHOCZUFELCEMHI-VBGLAJCLSA-N	328.506	4.606	50	40	EJGB	
CC(C)c1ccc2oc(-c3cccc(NC(=O)CCl)c3)nc2c1	216857391	PDYDYBPNEHNPSA-UHFFFAOYSA-N	328.799	4.796	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccc1F	33851471	OBZDDYDJLGDRPJ-OWBHPGMISA-N	333.322	4.589	50	40	EJGB	
Cc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408757610	AVZVZLPAPUMVJO-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@H]1C[C@H]1c1ccccc1	5370222	RGPHXONSNVWABA-QVYRGWMLSA-N	330.431	4.552	50	40	EJGB	
CC(C)CN(CC(C)C)P(=O)(c1ccccc1)c1ccccc1	2355190	POVBCCABHRPGMC-UHFFFAOYSA-N	329.424	4.530	50	40	EJGB	
C[C@@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=N)C1(C#N)C#N	3066172	QMQKARXFOQEKLR-KRWDZBQOSA-N	348.456	4.502	50	40	EJGB	
O=C(N/N=C/C=C/c1ccccc1)C(c1ccccc1)c1ccccc1	13631748	UTYBFTRBWPZWSY-JERWTEEISA-N	340.426	4.634	50	40	EJGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	409133907	QZFDDPYDOVVQBZ-WMRWHDLOSA-N	340.492	4.749	50	40	EJGB	
Cc1cn2c(/C=C(\C#N)c3nc4ccccc4s3)c(C)nc2s1	12532201	KFGWKVDXJRIZQO-KPKJPENVSA-N	336.445	4.687	50	40	EJGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)cs1	13739469	GZHUZIHSDHWNPW-GDNBJRDFSA-N	333.372	4.782	50	40	EJGB	
Cc1ccc(CC(=O)N/N=C/c2cn(C(C)C)c3ccccc23)c(C)c1	20195330	JQEZOKXFHNDAEA-YDZHTSKRSA-N	347.462	4.532	50	40	EJGB	
[C-]#[N+][C@@H](c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1	101197939	NJEPMRBQSBUEHX-OAHLLOKOSA-N	340.231	4.694	50	40	EJGB	
Cc1csc(/C(C#N)=C/c2c(-c3ccccc3)nc3ccccn23)n1	12529823	XHNROWBGNVGEKW-LFIBNONCSA-N	342.427	4.830	50	40	EJGB	
COc1ccc(C)cc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	63412642	QDJLHEGYQJTVRG-MHWRWJLKSA-N	333.416	4.586	50	40	EJGB	
Cc1cccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)c1	408728218	WYGMJVXWRQORFR-LPYMAVHISA-N	348.471	4.532	50	40	EJGB	
CCCc1ccc(/C(C)=N/NC(=O)c2cccc3ccccc23)cc1	4156046	PUBNECPHORRXDI-XQNSMLJCSA-N	330.431	4.946	50	40	EJGB	
O=C(CCCl)N(Cc1ccco1)c1nc(-c2ccccc2)cs1	4214758	JGRCNUZTIWAXIC-UHFFFAOYSA-N	346.839	4.565	50	40	EJGB	
CCCCCC(/C=N/NC(=O)c1ccccc1O)=C\c1ccccc1	15980512	GPYUPIVWRCQHSA-LKGVNHGVSA-N	336.435	4.772	50	40	EJGB	
COc1ccc(/C(C#N)=C/c2c(OC)ccc3ccccc23)cc1OC	408581202	UYWSNQAYVAFODY-SFQUDFHCSA-N	345.398	4.930	50	40	EJGB	
Cc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1	4690867	LJVRQRFEMUWXLD-HZHRSRAPSA-N	328.415	4.734	50	40	EJGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	20243947	WACACEGIXUKKCC-HBBMIWKISA-N	340.492	4.615	50	40	EJGB	
CCN(CC)C(=O)/C(C#N)=C\c1ccc(Sc2ccc(C)cc2)o1	59137912	AYWGHXUPERMCHD-QINSGFPZSA-N	340.448	4.515	50	40	EJGB	
C[C@H](Cl)CN(Cc1cc(C(C)(C)C)ccc1O)C[C@H](C)Cl	1724255	AAZMHLDCDWZLOL-STQMWFEESA-N	332.315	4.746	50	40	EJGB	
C=CCn1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21	408543659	RYCWLAVQOAPBSX-ATVHPVEESA-N	328.371	4.590	50	40	EJGB	
C=C[C@H](C)[C@H]1[C@@H](OC(=O)c2ccccc2)[C@@H](Cl)C[C@@H](Cl)[C@@H]1C	4976455	ZVRKAKRORRSLSH-OYARWULLSA-N	341.278	4.905	50	40	EJGB	
CCOc1cc(/C=C/C#N)cc(Cl)c1OCc1cccc(F)c1	6439513	WGDNNEFPZBGQNY-GQCTYLIASA-N	331.774	4.994	50	40	EJGB	
CN(C)/C=C(/C#N)C(=O)c1cccc(Oc2ccc(C(C)(C)C)cc2)c1	12856069	GBFLOXVGCYAQED-ICFOKQHNSA-N	348.446	4.928	50	40	EJGB	
CCOc1cc(Cl)c(/C=C(/C#N)c2ccccc2F)cc1OC	33777764	BUHDEWXDPINKGN-JYRVWZFOSA-N	331.774	4.951	50	40	EJGB	
O=C(CCCC[C@H]1CCSS1)N1CC2C[C@H]3CC1C[C@@H](C2)C3	65924951	MTQLBSNIPJWOSQ-RRLIJXGGSA-N	339.570	4.738	50	40	EJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	408866961	IPDHQWSQKJPTSX-WUXMJOGZSA-N	347.201	4.548	50	40	EJGB	
O=C(N/N=C\c1ccc(Sc2ccccc2)o1)Nc1ccccc1	408996682	MLVHTUHOXLOFAQ-UYRXBGFRSA-N	337.404	4.586	50	40	EJGB	
COc1cc(C(=O)Cl)ccc1OCc1cccc2ccccc12	218721826	XCGZCPDIVQFTBS-UHFFFAOYSA-N	326.779	4.806	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(F)cc3)sc2c1	5619129	DKWLZQWJNWLNLQ-AWQFTUOYSA-N	346.814	4.766	50	40	EJGB	
Cc1ccc2c(c1)[C@H](Cl)[C@H](Cl)[C@@H](C)N2C(=O)c1ccccc1	500677	MOYBLVBLCSVNJJ-JLZZUVOBSA-N	334.246	4.931	50	40	EJGB	
CCn1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c2ccccc21	6024765	SALILZBNCOGUJX-PTNGSMBKSA-N	326.403	4.910	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1	9015302	VRNOTGOFWBKZQU-MRXNPFEDSA-N	328.481	4.647	50	40	EJGB	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1Cl	59117413	BEZSDYXAAWUVMR-XFFZJAGNSA-N	335.165	4.678	50	40	EJGB	
O=C(N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1	83313604	WSMUYYKRONQDLL-NHDPSOOVSA-N	342.757	4.503	50	40	EJGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1	97990498	CEQSFNAJBCXXDZ-XFFZJAGNSA-N	341.779	4.922	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	4705375	SLYRKZQNQNFWNR-CYVLTUHYSA-N	345.446	4.531	50	40	EJGB	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=C(C=O)C[C@]4(C)[C@H]3CC[C@]12C	4895964	RSAHHGBFUZEQQL-MZLYOWLHSA-N	328.496	4.970	50	40	EJGB	
O=C(Cc1c[nH]c2ccccc12)NN(c1ccccc1)c1ccccc1	14862519	GOTGYCPOTUNIOE-UHFFFAOYSA-N	341.414	4.580	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	208120892	SIFMYSBTBOCUCE-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H](Cl)c1ccccc1	218918336	PAKKWNVJMJPMHJ-IBGZPJMESA-N	349.817	4.836	50	40	EJGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1O	4853291	RYOXDYAOPUKASH-SXGWCWSVSA-N	348.427	4.897	50	40	EJGB	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	33339750	OCGHFRKCIUSUEI-GDNBJRDFSA-N	340.810	4.673	50	40	EJGB	
FC(F)(F)COc1c(Cl)cc(CBr)cc1Cl	1776010754	XRCLYYOVSIORIT-UHFFFAOYSA-N	337.950	4.829	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)c(C)c1	2632726	ZUFIRYYJKZBYSL-OQLLNIDSSA-N	344.336	4.868	50	40	EJGB	
CCCCOc1ccccc1/C=N/NC(=O)C1[C@@H]2CCCCCC[C@@H]12	4359517	FBACRZTZPVGHSM-ITFRHSDVSA-N	342.483	4.532	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1	408935574	HYTUPFGXBSLYMX-GDNBJRDFSA-N	340.810	4.674	50	40	EJGB	
N#C/C(=C\c1ccccc1N1CCCC1)c1nc2ccccc2s1	5657150	RRMXPZFYFROKBB-DTQAZKPQSA-N	331.444	4.961	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)cc1	8055418	KRTUBVPIULJFQY-NTCAYCPXSA-N	346.361	4.940	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	408807049	NZFGCXBTIRANOB-RVDMUPIBSA-N	340.810	4.674	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc2c(c1)CCCC2	13842643	MNJASMMVPLWFFT-HYARGMPZSA-N	340.854	4.681	50	40	EJGB	
COc1c(Br)cc(-c2ccccc2)cc1C(=O)Cl	57339974	HOYLEVJACQOCQB-UHFFFAOYSA-N	325.589	4.504	50	40	EJGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1c(Cl)cccc1Cl	44028272	HMXKNVNUVJPUBA-DHZHZOJOSA-N	347.157	4.691	50	40	EJGB	
[C-]#[N+][C@H](c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1	101197930	KUHJARHAHYVCGQ-HNNXBMFYSA-N	340.231	4.694	50	40	EJGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1	217708231	MPZNPWFFYXUPCC-UHFFFAOYSA-N	325.191	4.697	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)cc1	561487	OKGQFAUMZSHQNN-SRZZPIQSSA-N	342.757	4.503	50	40	EJGB	
N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc2ccccc2s1	4276623	FUVCRFLBBQSVOV-GXDHUFHOSA-N	328.400	4.751	50	40	EJGB	
N#C/C(=C/n1c(=S)[nH]c2ccccc21)c1nc2ccccc2s1	17223464	FVJSRQFHKCXCMJ-KHPPLWFESA-N	334.429	4.830	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)OCO2	96130172	DQUHEHWDQOTKCX-LFYBBSHMSA-N	346.169	4.512	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	408933927	CEPAHITWXIBLCQ-PDGQHHTCSA-N	334.419	4.638	50	40	EJGB	
O=C1c2cccc(SCl)c2C(=O)c2cccc(SCl)c21	104123242	YUFPZGXBYYUNSD-UHFFFAOYSA-N	341.240	4.954	50	40	EJGB	
CCOc1cc(/C=C/C#N)cc(Cl)c1OCc1ccccc1C#N	107927762	FCOIBIXGWORXMM-AATRIKPKSA-N	338.794	4.726	50	40	EJGB	
O=C(c1ccc(Br)cc1F)[C@@H](Cl)c1ccccc1	126993989	QNHPROIZNXFZGB-ZDUSSCGKSA-N	327.580	4.751	50	40	EJGB	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(C2CCCCC2)cc1	34123	RECVCMBHIBQSOL-DEDYPNTBSA-N	347.462	4.534	50	40	EJGB	
O=C(Nc1nc(-c2ccccc2)cs1)[C@@H](Cl)c1ccccc1	3276866	JUESUMOJOQUTAY-HNNXBMFYSA-N	328.824	4.729	50	40	EJGB	
c1ccc([PH](c2ccccc2)(c2ccccc2)C2CCCC2)cc1	104123029	VJAQUMKMEOKHCK-UHFFFAOYSA-N	332.427	4.655	50	40	EJGB	
O=C1[C@@H](Cl)N(c2ccccc2Cl)[C@@H]1c1c[nH]c2ccccc12	5594149	WNMNYNDVFMOFER-WBVHZDCISA-N	331.202	4.517	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	6936571	DMTAYCPYPBKUQS-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)c1	208867771	JZFQBSNXYAIFFE-FLIBITNWSA-N	347.201	4.548	50	40	EJGB	
O=C(Cc1ccc(Cl)cc1)NN=C1CCC(c2ccccc2)CC1	81237	WFVGFYQEJVIHRU-UHFFFAOYSA-N	340.854	4.713	50	40	EJGB	
CCc1cccc2c(C=C(C#N)C#N)cn(Cc3ccc(F)cc3)c12	798084	LNMLMPUGFLAVSK-UHFFFAOYSA-N	329.378	4.822	50	40	EJGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1	3100151	LRELYOLRFUYZFY-HZHRSRAPSA-N	339.398	4.599	50	40	EJGB	
O=P(NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1	104105035	NEWFSFYWNYBQMU-UHFFFAOYSA-N	341.480	4.861	50	40	EJGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1	572992	KLMOUEVBGYPXRW-GZTJUZNOSA-N	337.382	4.867	50	40	EJGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1ccc(SC(F)(F)F)cc1	2581790	ZKFMCKJIZJZUBQ-KTKRTIGZSA-N	328.359	4.733	50	40	EJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\C(C)=C\c2ccccc2)c1	408744366	FDTMHHKJFKKUPM-GPWQLRHTSA-N	332.403	4.577	50	40	EJGB	
CCCCCCCCCCCC(=O)NNC(=O)NC1CCCCC1	102065421	WPRYRCMQQMEAJQ-UHFFFAOYSA-N	339.524	4.570	50	40	EJGB	
O=C(N[C@@H](c1ccc(F)cc1)C(Cl)Cl)c1ccccc1Cl	3218905	MBYXTXBSUWEYIA-ZDUSSCGKSA-N	346.616	4.754	50	40	EJGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc(-c2ccc(F)cc2)cs1	6589201	IEBXRPCRJLJHPO-YRNVUSSQSA-N	341.323	4.515	50	40	EJGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1cccc(Cl)c1	408867264	LCCKKTRCZWLZDE-KGENOOAVSA-N	328.843	4.814	50	40	EJGB	
Cc1cc(NC(=O)c2ccc(CBr)cc2)ccc1Cl	3426710	IEHORFZTICLVDN-UHFFFAOYSA-N	338.632	4.796	50	40	EJGB	
Cc1ccccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	59117423	LBMQNKDJHVIAIL-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
FS(F)(F)(F)(F)c1ccccc1I	169806213	FODHIMVBNIFHKB-UHFFFAOYSA-N	330.059	4.949	50	40	EJGB	
CC(C)COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1	408879708	DXLJSYUDYGMCNN-OEAKJJBVSA-N	346.430	4.639	50	40	EJGB	
Cc1ccsc1/C=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4719795	JPXAHBGZGILTNF-SJJRUYGKSA-N	340.492	4.608	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1cccc([N+](=O)[O-])c1	35331373	GINVVDPFSREMFG-SSZFMOIBSA-N	337.379	4.632	50	40	EJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1	108112663	JYHBWTBPGZANIU-RGEXLXHISA-N	326.399	4.948	50	40	EJGB	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c1	13137510	YPWDLLKBGOMGGY-MDWZMJQESA-N	332.186	4.792	50	40	EJGB	
CCOc1cc(/C=C(\C#N)C(=O)C(C)C)ccc1OCc1ccccc1	40139975	KKZLMJOSCNMUDQ-XDHOZWIPSA-N	349.430	4.796	50	40	EJGB	
Cc1cc(C(=O)CCCCCBr)ccc1Br	309362570	MHHSCGDVDXIHDX-UHFFFAOYSA-N	348.078	4.896	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1Cl	539849	GDQJRUBZALAXQF-MDWZMJQESA-N	335.794	4.675	50	40	EJGB	
Cc1cccc(NC(=O)[C@]23CC[C@](C)([C@@H]2Br)C3(C)C)c1	4185015	WHTXJHNIWIEXAU-XKQJLSEDSA-N	336.273	4.523	50	40	EJGB	
C/C(Cc1ccccc1)=N/NC(=O)c1ccc(-c2ccccc2)cc1	5369738	WOHKQJDPPRFZOQ-QJOMJCCJSA-N	328.415	4.702	50	40	EJGB	
O=C(CCl)N(CC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1	12374493	DISLSWKKTOTWFE-UHFFFAOYSA-N	335.850	4.614	50	40	EJGB	
N#C/C=C/c1cc(Br)ccc1OCc1ccc(F)cc1	33748406	RFHGHXDBDCACPN-OWOJBTEDSA-N	332.172	4.704	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccccc3F)[nH]c2c1	35201930	GQGLESVFWYRMJN-QINSGFPZSA-N	342.377	4.865	50	40	EJGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1	38198643	QIHDBHQWFOMBMU-JWGURIENSA-N	338.451	4.718	50	40	EJGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc3ccccc23)cc1	409140861	SXTFHAAOZYULJH-CAUNFOBBSA-N	348.471	4.779	50	40	EJGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	3231332	UGMOXFZADZTYJR-LFIBNONCSA-N	325.795	4.978	50	40	EJGB	
CCc1cc(-c2ccc(C(=O)Cl)o2)cc(C)c1Br	45889486	GLZZEVMZFJXZTB-UHFFFAOYSA-N	327.605	4.959	50	40	EJGB	
O=C(CCl)Nc1cc(-c2nc3ccccc3s2)ccc1Cl	216858380	GSASRLWHKFBHIO-UHFFFAOYSA-N	337.231	4.794	50	40	EJGB	
O=C(c1ccccc1)c1ccccc1NC(=O)[C@H](Cl)c1ccccc1	218918253	PAKKWNVJMJPMHJ-LJQANCHMSA-N	349.817	4.836	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1O	408745652	USGSCASDBLMOOE-SDQBBNPISA-N	347.201	4.553	50	40	EJGB	
O=C1[C@H](Br)CCCCC1(c1ccccc1)c1ccccc1	1707492	OJYYJFFPDRCKLR-QGZVFWFLSA-N	343.264	4.879	50	40	EJGB	
O=C/C(=C/Nc1ccc(Cl)cc1)c1nc2cc(Cl)ccc2o1	5569740	MLHHLTPUMTYHJZ-NTMALXAHSA-N	333.174	4.787	50	40	EJGB	
C=CCOc1ccccc1/C=C(/C#N)c1nc2cc(C)c(C)cc2[nH]1	408544246	UMFQBZATLDJLKK-ATVHPVEESA-N	329.403	4.809	50	40	EJGB	
CC(C)C[C@@H]([C@@H](O)CCl)N(Cc1ccccc1)Cc1ccccc1	26896944	VPTZKLYFCBJELX-SFTDATJTSA-N	345.914	4.703	50	40	EJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	5744863	CPBKVIFPXYDSLY-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	615276	HLUJPEQUIINXIE-QGOAFFKASA-N	333.391	4.649	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	6221678	UZNCMZAYSAPKSD-YRNVUSSQSA-N	335.165	4.678	50	40	EJGB	
ClCc1cc(Br)cc2c1O[C@@H](c1ccccc1)OC2	3278096	TULUXDVSSAUPNQ-HNNXBMFYSA-N	339.616	4.796	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccco1	290957	PLZGLSJETXGOBU-DJKKODMXSA-N	349.173	4.610	50	40	EJGB	
Cn1c(/C(C#N)=C/c2ccccc2OC(F)(F)F)nc2ccccc21	23078431	PLVWKJOYZGLUHZ-JLHYYAGUSA-N	343.308	4.536	50	40	EJGB	
O=C(Cl)/C=C/c1cccc(OCc2ccc(F)cc2Cl)c1	217704551	JGLDXHTZUMSGKO-QPJJXVBHSA-N	325.166	4.837	50	40	EJGB	
O=C(Cl)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	218718526	CHDCXFCQMSHJSV-UHFFFAOYSA-N	329.566	4.592	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)/C=C/c2ccc(Cl)cc2)cc1	409060189	ZLKXHQLCDCRKEX-VPQCTDNWSA-N	326.827	4.627	50	40	EJGB	
O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(Cl)cc1	4151275	DEKTZASXOSRDDT-UHFFFAOYSA-N	347.805	4.798	50	40	EJGB	
Cc1ccc(-c2cc(C(=O)NN=C3CCCC3)c3ccccc3n2)s1	6216360	CMHYFMSHIYAZFC-UHFFFAOYSA-N	349.459	4.932	50	40	EJGB	
c1ccc([P+](c2ccccc2)(c2ccccc2)[C@H]2CCCCO2)cc1	104237176	OBFSCPMMNIWKTP-QHCPKHFHSA-N	347.418	4.507	50	40	EJGB	
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H](C(C)(C)C)[C@H](Cl)C2)cc1	5106050	OLDRDMMPTWRRMP-CWRNSKLLSA-N	344.904	4.523	50	40	EJGB	
CC(C)(C)c1ccc(-c2nc3ccc(NC(=O)CCl)cc3o2)cc1	216856423	SMNOIROYMHMSSY-UHFFFAOYSA-N	342.826	4.970	50	40	EJGB	
CCCCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	8426897	MYJPXJSHNNUDTJ-VCHYOVAHSA-N	331.243	4.510	50	40	EJGB	
O=C(O)c1cc(-c2ccc(Cl)cc2Cl)oc1CBr	11692927	FPOSUHKHPVPOKN-UHFFFAOYSA-N	349.995	4.847	50	40	EJGB	
Cc1cccc(NC(=O)[C@@]23CC[C@](C)([C@@H]2Br)C3(C)C)c1	100562001	WHTXJHNIWIEXAU-IAOVAPTHSA-N	336.273	4.523	50	40	EJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1)c1ccccc1	5528953	PHQJINCVESUSBP-BAACNHRGSA-N	332.447	4.768	50	40	EJGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1	5928191	MOLUVBZTZTVIHC-QALSOINYSA-N	334.463	4.546	50	40	EJGB	
N#C/C(=C\C1=Cc2cc(Cl)ccc2OC1)c1nc2ccccc2[nH]1	25887185	DCHOWNMJMVPSLE-RIYZIHGNSA-N	333.778	4.599	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1O	14671760	IVHIPDKCLPUBGX-DHDCSXOGSA-N	334.400	4.588	50	40	EJGB	
CCCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	20347453	KAYGZZZIXUGFNE-QGZVFWFLSA-N	346.883	4.768	50	40	EJGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3)n2)cc1	4794005	YKCHLCSXTJWWMY-GDNBJRDFSA-N	334.400	4.588	50	40	EJGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1C	9201285	MQNSRQIJYYZAOE-HZHRSRAPSA-N	346.430	4.701	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1cccc(Cl)c1	59247863	ZRIWTRKJDMMVRA-QINSGFPZSA-N	347.805	4.676	50	40	EJGB	
CCCCOc1ccc(NC(=O)N/N=C/c2ccccc2Cl)cc1	1891535	DEDTXWXVQVBDJS-DEDYPNTBSA-N	345.830	4.675	50	40	EJGB	
O=C(CCCl)Nc1cc(-c2nc3ccccc3o2)ccc1Cl	4904113	RFNXZXUQVGSBHL-UHFFFAOYSA-N	335.190	4.716	50	40	EJGB	
N#C/C(=C/C=C/c1ccco1)C(=O)Nc1cccc(Cl)c1Cl	15227490	BYEZRYHOKKRORO-KQRHMTQVSA-N	333.174	4.688	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c1	6410721	YZDNSUBVOZQKJI-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2)cc1	33652373	YJMANRBOTBHZFP-LGMDPLHJSA-N	338.838	4.976	50	40	EJGB	
CSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(O)CCCC2=N1	96900859	VNMBBDSTZZVBDY-OAHLLOKOSA-N	330.840	4.972	50	40	EJGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(N)=S	408542166	HGYKLIGPNVOVTE-ODLFYWEKSA-N	344.439	4.612	50	40	EJGB	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCCC(C)C	5560115	SQADPNOJXFDFNS-CPNJWEJPSA-N	349.430	4.910	50	40	EJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1	5720527	VSRZKNKKJXXAGG-FMIVXFBMSA-N	347.201	4.548	50	40	EJGB	
Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	6963640	MNKBREVWNNQXMV-RGEXLXHISA-N	347.418	4.958	50	40	EJGB	
CC(=O)n1c2ccc(Cl)cc2c2ccc(C(=O)[C@@H](C)Cl)cc21	38297933	MUUAMUZKWBQPCO-SECBINFHSA-N	334.202	4.918	50	40	EJGB	in-vitro
Cc1cc(C)c(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)c1	57414098	DOMQJRCDJSDEBG-PTNGSMBKSA-N	339.826	4.723	50	40	EJGB	
CCOC(=O)/C(C#N)=C1/C=C(c2ccc(C)cc2)Oc2ccc(C)cc21	935993	AXMRSJUIAINCMD-ZPHPHTNESA-N	345.398	4.577	50	40	EJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cccc2ccccc12	6959846	QTMRHSUSHQVDNH-XMHGGMMESA-N	326.399	4.948	50	40	EJGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OC	33664105	XMLZMQPPMLFDQB-JYRVWZFOSA-N	331.774	4.951	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)s1	59117579	ISLCXLIONHTSGS-UXBLZVDNSA-N	337.231	4.909	50	40	EJGB	
O=C(CNc1ccccc1)NN=C1CCCCCCCCCCC1	6346391	HDHDPHNOHKUSBG-UHFFFAOYSA-N	329.488	4.875	50	40	EJGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C)cc1	409008586	YHLNZGUWJQUQFE-HAHDFKILSA-N	346.430	4.701	50	40	EJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	6428645	XMJSMCUYUGIGPL-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
CC(C)/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccccc1	408592560	ZILLNLNKOAQMQQ-DARPEHSRSA-N	336.479	4.703	50	40	EJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)c1	2800873	BZHJEXQPNUZSLV-FOWTUZBSSA-N	334.419	4.538	50	40	EJGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	4964962	BYOAEQKABPTZTR-LXCUCXDDSA-N	337.250	4.595	50	40	EJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Cl	408782059	FQVJJFUDYFIMIW-GDNBJRDFSA-N	340.810	4.593	50	40	EJGB	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1	408991194	PNSLKIZDMDFUKE-GDNBJRDFSA-N	340.810	4.593	50	40	EJGB	
Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Cl)cc3)sc2c1	2649919	DIRLVHMWHQTTIE-NSHDSACASA-N	330.840	4.838	50	40	EJGB	
N#C/C=C/c1cc(Br)ccc1OCc1ccccc1F	6251812	YALAZJZEFIDMHJ-HWKANZROSA-N	332.172	4.704	50	40	EJGB	
N#CC(=C1CCCC1)c1nc(-c2cc3ccccc3oc2=O)cs1	115487	QYROMSWMJQHODQ-UHFFFAOYSA-N	334.400	4.768	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cc1O	12931167	XCJRXEKGAVRXCG-IZZDOVSWSA-N	342.807	4.728	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	573927	SLYRKZQNQNFWNR-XDJHFCHBSA-N	345.446	4.531	50	40	EJGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	408888425	VGSCFRIQFPYYMY-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
Cc1ccsc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	368175	CMMXITKJFJNCGN-RGVLZGJSSA-N	334.400	4.720	50	40	EJGB	
N#C/C(=C\c1ccc(F)c(F)c1)c1nc(-c2ccncc2)cs1	63412588	OTNTYRHLSKYOPI-NTUHNPAUSA-N	325.343	4.547	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(F)cc3)sc2c1	96507682	DKWLZQWJNWLNLQ-UKWGHVSLSA-N	346.814	4.766	50	40	EJGB	
O=C(N/N=C/CCc1ccccc1)c1sc2ccccc2c1Cl	5374743	XPZLGHGBNKQVPJ-UDWIEESQSA-N	342.851	4.903	50	40	EJGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2ccccc2c1	33645303	VOZZGPGDTAXARQ-CAOOACKPSA-N	344.326	4.541	50	40	EJGB	
CCCCc1ccc(C2=C(C#N)C(N)=C(C#N)C3=CCCC[C@@H]32)s1	5285311	FDOSDHLVGPIMQR-HNNXBMFYSA-N	335.476	4.844	50	40	EJGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	59116690	VSRWLXKACUIQEQ-RVDMUPIBSA-N	340.810	4.674	50	40	EJGB	
COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccc(Cl)cc1	62715127	KIRMTCJXHHLKLL-WEVVVXLNSA-N	337.202	4.706	50	40	EJGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)c1ccc(Cl)cc1	408580309	OELGSGDLOIGNFP-NTUHNPAUSA-N	348.185	4.521	50	40	EJGB	
O=C(N/N=C/C1=C(c2ccccc2)[C@H]2C=C[C@@H]1C2)c1ccccc1Cl	251264	DJNVZWGUZOHXRE-GAOZUZCBSA-N	348.833	4.715	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@]1(O)C[C@H]2C[C@@H]1[C@H](C)C2(C)C	2132975	YTVVIHAUIVTBQY-WCLQXYBISA-N	336.516	4.729	50	40	EJGB	
CCn1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	96624567	UJGPWXFBERDMNR-YBEGLDIGSA-N	329.241	4.952	50	40	EJGB	
COc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl	409049642	XMPSQFHWFPGUFY-IZZDOVSWSA-N	344.201	4.942	50	40	EJGB	
Cc1occc1C(=O)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12	5532920	QUTJFRKLRBITOP-LPYMAVHISA-N	343.386	4.500	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1	6404555	FQTOIDPMAHPWAA-UVTDQMKNSA-N	330.309	4.560	50	40	EJGB	
N#CC(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	40968562	FFFGXUMASMHJAR-UHFFFAOYSA-N	343.169	4.643	50	40	EJGB	
O=C(Cl)c1ccc2oc(-c3cccc(Br)c3)nc2c1	217713086	WRYNWPGLMMAPHL-UHFFFAOYSA-N	336.572	4.636	50	40	EJGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(C)c1	409004688	BGGIFFWUOMZCSJ-HAHDFKILSA-N	346.430	4.701	50	40	EJGB	
C=CCn1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc21	409366353	UNZZNAXQJKZTTI-YBEGLDIGSA-N	328.371	4.620	50	40	EJGB	
Cc1cc2c(n1-c1cccc(C(F)(F)F)c1)CCC(C=O)=C2Cl	3209091	QESFGWICXOZIDS-UHFFFAOYSA-N	339.744	4.900	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)cc1C	4502021	PKZPUEGAISEQJN-UNOMPAQXSA-N	348.446	4.884	50	40	EJGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(C)cc1	5362856	PRYLNXSQHDQSKE-HKOYGPOVSA-N	342.442	4.667	50	40	EJGB	
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCl)c2C#N)C1	5916636	RWGZNNQJVKUZSQ-LLVKDONJSA-N	338.904	4.728	50	40	EJGB	
CC(/C=N/NC(=O)CNc1ccc(C)cc1)=C\c1ccc(C(C)C)cc1	3060181	NFFAQQJRVNCFRT-PORCUZMESA-N	349.478	4.736	50	40	EJGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3)n2)cc1	100715309	IGLGBODGINBASD-QINSGFPZSA-N	333.416	4.795	50	40	EJGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccs2)cs1	4291968	XLPRNZGNVFPYRN-XYOKQWHBSA-N	339.401	4.844	50	40	EJGB	
N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc2ccccc2c1	5777885	KLMOUEVBGYPXRW-BOPFTXTBSA-N	337.382	4.867	50	40	EJGB	
Cc1n[nH]c(C)c1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	40139788	FINFPMTXFBJPTN-NTUHNPAUSA-N	340.839	4.868	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\C=C\c3ccc(N(C)C)cc3)[nH]c2c1	50574899	WKLOCKGAURDXQF-INCRNZDESA-N	328.419	4.558	50	40	EJGB	
C[C@H]1CCCCN1C(=O)c1cc(Cl)c(SC#N)c(Cl)c1	59842975	OLYNHPGDGDLFMG-VIFPVBQESA-N	329.252	4.581	50	40	EJGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl	100517894	RGXUTWOXGSXQTM-FZRNGVIISA-N	332.856	4.707	50	40	EJGB	
Cc1c(NC(=O)CCl)cccc1-c1nc2cc(Cl)ccc2o1	216858733	WKEPTIGMNGOCTR-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
CCc1ccc(NCC(=O)/C(C#N)=C(\C)Nc2ccc(CC)cc2)cc1	103131184	ZFJJQLVRRXURQR-LTGZKZEYSA-N	347.462	4.702	50	40	EJGB	
CCOP(=S)(OCC)SCc1cc(Cl)nc(Cl)c1	163000	QXJGVKOQINWNFA-UHFFFAOYSA-N	346.241	4.919	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	3067246	HUHIPUKHYRVQNF-RGVLZGJSSA-N	346.883	4.706	50	40	EJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)cc1	6956940	LRUQQARHVIPJBK-QGOAFFKASA-N	334.419	4.582	50	40	EJGB	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2c(F)cccc2F)c1C	7210206	OLURZIFEXMWTTC-GXDHUFHOSA-N	328.362	4.583	50	40	EJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCC(C)C)c1	59133324	XIKPHCOLCBFSKD-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
O=C(N/N=C\c1cccnc1)Nc1ccc(/N=N\c2ccccc2)cc1	104258328	STUUPUVACZDWKN-PZUCIDFCSA-N	344.378	4.653	50	40	EJGB	
CCOc1cc2c(cc1/C=C(\C#N)c1ccc(Cl)cc1)OCO2	409096420	KHWHRZCCGXPXHR-VGOFMYFVSA-N	327.767	4.532	50	40	EJGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)c1ccccc1	100045896	ZJCBZNPNODJQOE-OQKWZONESA-N	338.451	4.800	50	40	EJGB	
COc1ccc(Br)cc1/C=C(/C#N)c1cccc(F)c1	409391683	JJYUIKUMLMPTKN-QPEQYQDCSA-N	332.172	4.661	50	40	EJGB	
C/C(=N\NC(=O)CSc1ccccc1)c1ccc(C(C)(C)C)cc1	16136952	UXQOICNXWIAEHL-RCCKNPSSSA-N	340.492	4.617	50	40	EJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc(C)c1O	35226013	LGHIKMPIPNLLNT-DHDCSXOGSA-N	340.810	4.517	50	40	EJGB	
C/C(=N\NC(=O)C1c2ccccc2-c2ccccc21)c1oc(C)cc1C	98087265	ILNKOYJTGUZMPC-HZHRSRAPSA-N	344.414	4.549	50	40	EJGB	
O=[N+]([O-])c1ccc(S[C@@H]2CCCCCC[C@H]2Cl)c([N+](=O)[O-])c1	1638426	ASPCBQHUIMIRPT-DGCLKSJQSA-N	344.820	4.925	50	40	EJGB	
Cc1ccsc1/C=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	13590169	JPXAHBGZGILTNF-KTTNNNJESA-N	340.492	4.608	50	40	EJGB	
CCc1ccc2oc(-c3cc(NC(=O)CCl)ccc3Cl)nc2c1	216859377	UVLOKQAFGPNYFZ-UHFFFAOYSA-N	349.217	4.888	50	40	EJGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408767684	ZYROJOCQNMMADI-GHXNOFRVSA-N	347.201	4.548	50	40	EJGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1	4814012	VEFMFZYDBMFLDM-NHDPSOOVSA-N	342.757	4.503	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cccc(Br)c3)nc2c1	33406460	RSDYOMOMXMUPLV-JYRVWZFOSA-N	338.208	4.698	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2	100062743	PCGSMNRXCOXARN-YPZKQHKRSA-N	325.239	4.535	50	40	EJGB	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	408905308	WYJCLRSWCVYRKQ-YHYXMXQVSA-N	335.146	4.671	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c1	71381	LKYPSDZBLOBDPP-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)cc1C	63412656	YZQKBESDGSMBMA-MHWRWJLKSA-N	333.416	4.586	50	40	EJGB	
O=C(CCl)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1	216855120	JWRFTBFSNTYNCR-UHFFFAOYSA-N	336.778	4.825	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc([N+](=O)[O-])cc1	409215200	YKTXKFABTRJGQS-SSZFMOIBSA-N	337.379	4.632	50	40	EJGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1C(C)C	3217483	GMYWIHFEONATAT-WOJGMQOQSA-N	348.446	4.981	50	40	EJGB	
Cc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	33900481	JXLKRKOSLBWGAV-XFFZJAGNSA-N	336.338	4.621	50	40	EJGB	
CCOC(=O)/C(C#N)=C\C1=C(Cl)/C(=C\Nc2ccccc2)CCC1	6147252	HVXWTIBONMAHFF-VZJSKVNTSA-N	342.826	4.672	50	40	EJGB	
C[C@H](Br)C(=O)Nc1ccc(/C=C/c2ccccc2)cc1	3156878	YIBQWQIYGFMZDL-GWJCSSMESA-N	330.225	4.579	50	40	EJGB	
CCOC(=O)/C(C#N)=C/c1cc(-c2ccccc2)[nH]c1-c1ccccc1	4015312	HYBQYHUYSHFFRF-CPNJWEJPSA-N	342.398	4.819	50	40	EJGB	
C[C@@H]1CCc2c(sc(NC(=O)[C@H](Cl)c3ccccc3)c2C#N)C1	74941566	PKJYMRONSNKLSF-BDJLRTHQSA-N	344.867	4.663	50	40	EJGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1C	409104392	YVHYBZRGDQWYHF-SXGWCWSVSA-N	341.842	4.632	50	40	EJGB	
CN(C)c1ccc(/C=C(\C#N)c2ccccc2Br)cc1	1597819	NSDDBKANKHHKED-SDNWHVSQSA-N	327.225	4.579	50	40	EJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)c1	207823421	JYNSLEAXKZJCHM-GHXNOFRVSA-N	347.201	4.548	50	40	EJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1)c1ccccc1	8534202	IUHCZPSBBOERLR-UYPHOHSBSA-N	342.398	4.731	50	40	EJGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(C#N)c1	408568016	RMGVXBYMYQOREZ-GZTJUZNOSA-N	341.326	4.791	50	40	EJGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1	408735263	PDAFVGJBHASGNX-OQLLNIDSSA-N	340.810	4.593	50	40	EJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl	408815301	QXPRUQOSRBXGLG-DHZHZOJOSA-N	349.192	4.987	50	40	EJGB	
N#C/C(=C/c1ccc(Br)cc1)c1nc(C2CC2)cs1	31895927	WGMVLAYYKONIFS-GHXNOFRVSA-N	331.238	4.847	50	40	EJGB	
N#C/C(=C\c1cccc(/C=C(\C#N)c2ccccn2)c1)c1ccccn1	5128522	YOXBZWHYDKTNRT-IWGRKNQJSA-N	334.382	4.605	50	40	EJGB	
COc1ccc(-c2nc(/C=C(\C#N)c3nc(C)cs3)cs2)cc1	14166769	NJUYNKPAJDMLHB-NTUHNPAUSA-N	339.445	4.648	50	40	EJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)c1	20787000	FTHRIQUSRPRPSL-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)s1	59336603	OWUSXUCGZXNSGK-YFHOEESVSA-N	337.231	4.909	50	40	EJGB	
C[C@H](CCl)OP(=O)(Cc1ccccc1)O[C@H](C)CCl	1737329	NBJGKGQMNVHKHH-VXGBXAGGSA-N	325.172	4.668	50	40	EJGB	
Fc1cc(C(F)(F)F)cc(C(F)(F)F)c1CBr	71867256	QORBTFMANPEXFJ-UHFFFAOYSA-N	325.021	4.758	50	40	EJGB	
N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1	573838	FNEGIQOFROCCHM-FYWRMAATSA-N	347.805	4.676	50	40	EJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(C(C)C)cc1	6763072	XUVMRRCWKWHAIZ-OEAKJJBVSA-N	346.430	4.736	50	40	EJGB	
COc1ccc(C(=O)Cl)cc1OCc1ccc(Cl)cc1Cl	218720344	KIJRYDMPQUPQKH-UHFFFAOYSA-N	345.609	4.960	50	40	EJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	408810736	JMQQQXFWYMAKPA-VUODPORTSA-N	328.415	4.815	50	40	EJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c1	408970917	ASNGDXVSKFACIL-MTJSOVHGSA-N	338.794	4.672	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1Cl	1454078	MSQGQGJOIZYYST-NZMSABIYSA-N	340.810	4.911	50	40	EJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	5131240	HPAAPFBECCGNMJ-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1	36166475	AAVFCAJWTWNFOG-SRZZPIQSSA-N	342.757	4.503	50	40	EJGB	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=C(C=O)C[C@]4(C)[C@H]3CC[C@]12C	118924108	RSAHHGBFUZEQQL-CWAYHHJTSA-N	328.496	4.970	50	40	EJGB	
O=C(CCCCBr)c1cc(Cl)cc(F)c1Cl	309181246	DFNACNGOAZETKJ-UHFFFAOYSA-N	328.008	4.880	50	40	EJGB	
C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1ccc(C(C)(C)C)cc1	409364665	OIXKCXQFNMILPF-HAVVHWLPSA-N	336.479	4.684	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@@H]1C2	370007	PCGSMNRXCOXARN-LRCQJDKFSA-N	325.239	4.535	50	40	EJGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/C1CCCC1	1681854	IOLVQXKFARKSBN-DEDYPNTBSA-N	327.299	4.641	50	40	EJGB	
CC[C@H](C)C(=O)[C@H](Br)[C@H](Br)c1ccccc1	5647995	LLGPUBLPMQBGPW-MVWJERBFSA-N	348.078	4.501	50	40	EJGB	
C/C(=N/NC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2	5888263	YLIFNOOQASAOGB-MTJSOVHGSA-N	330.859	4.662	50	40	EJGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	115727	QMOUOTIACKWGSL-JLHYYAGUSA-N	335.794	4.675	50	40	EJGB	
CC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1	143550	RCUBXDJPAPULHB-YBFXNURJSA-N	332.403	4.558	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)c1C	32788060	LLOZMQXZUSWSBC-LDADJPATSA-N	334.419	4.636	50	40	EJGB	
CCc1ccc(N(C(=O)CCl)c2c(F)c(F)cc(F)c2F)cc1	115076354	XXNJYZYKTNBAPC-UHFFFAOYSA-N	345.723	4.709	50	40	EJGB	in-vitro
CC[C@H](C)n1cc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc21	409189972	ORXDWXAPIRJWGF-JORMNFRLSA-N	335.451	4.578	50	40	EJGB	
N#CC(/N=N/c1cccc([N+](=O)[O-])c1)=C(\O)c1ccccc1Cl	100714974	MEFVGLGJLAZUFS-HOTZHUKSSA-N	328.715	4.782	50	40	EJGB	
O=C(Cl)/C=C/c1ccc(-c2ccc(Br)cc2F)o1	20159998	DQXLOOLOIANMGF-ZZXKWVIFSA-N	329.552	4.627	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c(C)c1	44023323	UHJBAXOWPLHQMZ-LDADJPATSA-N	334.419	4.636	50	40	EJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408812675	MFVZHVLYLSLAMM-DORSJAEJSA-N	349.478	4.533	50	40	EJGB	
C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)C(C)(C)C	5370198	CIPCROKIRBRDMQ-LKZQPVPRSA-N	334.463	4.531	50	40	EJGB	
N#C/C(=C/c1ccc(Br)cc1)c1nc2ccc(F)cc2[nH]1	408568183	SCSPAOAOVQCADF-XFFZJAGNSA-N	342.171	4.529	50	40	EJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1Cl	408812859	PSYPECFPUDLZSR-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
O=C(NN=C1CCCC1)c1ccccc1OCc1ccc(Cl)cc1	6049356	VIFHHONUVBIBPR-UHFFFAOYSA-N	342.826	4.579	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)cc1	215747211	FRXBUPYGNFKCMZ-XFXZXTDPSA-N	331.202	4.848	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2	105395193	PCGSMNRXCOXARN-NYRFEQLHSA-N	325.239	4.535	50	40	EJGB	
CCOc1ccc(/N=C/C2=CN(Cc3ccccc3)C=C(C#N)C2)cc1	5446774	OFCMGBYNVUKLHP-ZVHZXABRSA-N	343.430	4.985	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1	12362203	JOGIACLWKMZSCL-HAHDFKILSA-N	332.378	4.647	50	40	EJGB	
Cc1nc(C(C#N)=C2CCCCC2)sc1C(=O)Nc1ccccc1	7846473	DJXJDRZFYUJSDQ-UHFFFAOYSA-N	337.448	4.945	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)cc3)nc2c1	9263358	YJXDUTYGMNBHAO-JXAWBTAJSA-N	342.446	4.926	50	40	EJGB	
Cc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccccc1	107896010	JAVFVSZXGAAFNA-DEDYPNTBSA-N	342.398	4.857	50	40	EJGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc3ccccc3c2)C1	4507862	ILIAXNQJHKFAJU-MLSMKVKPSA-N	348.446	4.623	50	40	EJGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1	6341879	LUKUABTWKIKMLB-DHZHZOJOSA-N	335.165	4.678	50	40	EJGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc2ccccc2o1	83297718	DSXYFZIVEUKFGN-OCKHKDLRSA-N	333.174	4.504	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cc(Cl)c2O)c1	408745532	NLHKIVQVKFBNQS-SDQBBNPISA-N	347.201	4.553	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	23216137	BBAJULHCQNDHFR-GXDHUFHOSA-N	330.309	4.560	50	40	EJGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc3ccccc23)cc1	408568963	XRSLDRQUJPPCLK-LFVJCYFKSA-N	344.458	4.830	50	40	EJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc(F)cc1	409236664	SWATUYBLGMWRMG-AQTBWJFISA-N	336.410	4.889	50	40	EJGB	
O=C(COc1ccc(F)cc1)NN=C1CCCCCCCCCCC1	8379111	TYVSMMCONAKWOC-UHFFFAOYSA-N	348.462	4.981	50	40	EJGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1O	409359994	CUUPYJHOCZWYPZ-ZSOIEALJSA-N	344.208	4.618	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)s1	2749290	NYWLVGIUXKMOKD-YRNVUSSQSA-N	336.338	4.621	50	40	EJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)c1	2800874	BZHJEXQPNUZSLV-VBKFSLOCSA-N	334.419	4.538	50	40	EJGB	
O=C(CSCc1ccc(Cl)cc1)NN=C1CCCCCCC1	4359467	GBLCBRLAKGJZIE-UHFFFAOYSA-N	338.904	4.790	50	40	EJGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2Cl)o1	4852322	WGRTWFSYDVZRMN-NTMALXAHSA-N	336.174	4.723	50	40	EJGB	
O=C1[C@H](Cl)N(c2cccc(Cl)c2)[C@H]1c1c[nH]c2ccccc12	5594158	JQCSTERJERGTDG-DOTOQJQBSA-N	331.202	4.517	50	40	EJGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1cc2ccccc2o1	408845528	HNHQCJZGZRCDRR-OCKHKDLRSA-N	333.174	4.504	50	40	EJGB	
O=C(c1ccccc1)[C@H](Cl)[C@@H](Cl)C(=O)c1ccc(Cl)cc1	1685447	JWKFAAMBZBSWGZ-ZIAGYGMSSA-N	341.621	4.620	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1ccc(C(C)(C)C)cc1	5222752	WPVAGYJHAHWCPQ-FYJGNVAPSA-N	328.843	4.792	50	40	EJGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	31841930	UFGGEXWNZZHOTM-LCYFTJDESA-N	333.246	4.836	50	40	EJGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccsc2)cc(Cl)c1OC	44027920	WLECJDKOHUUKEZ-AWNIVKPZSA-N	347.823	4.599	50	40	EJGB	
CCCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	3107600	GIOIWMPNZBWMDH-UHFFFAOYSA-N	343.379	4.773	50	40	EJGB	
C[C@H]1CCc2c(sc(NC(=O)[C@@H](Cl)c3ccccc3)c2C#N)C1	74941570	PKJYMRONSNKLSF-ZBEGNZNMSA-N	344.867	4.663	50	40	EJGB	
C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1ccc(OCC)c(OC)c1	106615253	STZXBOFRRRFWMF-GZTJUZNOSA-N	349.434	4.517	50	40	EJGB	
O=C(N/N=C\c1ccco1)c1sc2cc(Cl)ccc2c1Cl	408970422	HPZBDVINLPGHIQ-IDUWFGFVSA-N	339.203	4.565	50	40	EJGB	
CC(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	148337	XEHQWBNVXZYUHD-WOJGMQOQSA-N	345.851	4.802	50	40	EJGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	59473052	HFKHEQHNQPSSAA-CIAFOILYSA-N	340.492	4.502	50	40	EJGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)cc1	6341902	ZMQIUFUPZCDBPW-CSKARUKUSA-N	335.165	4.678	50	40	EJGB	
CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)CCl)c3)nc2c1	216859032	RCGMBPOOFKPQJP-UHFFFAOYSA-N	349.217	4.888	50	40	EJGB	
O=C(N/N=C\c1ccc(-c2ccc(F)cc2)o1)c1cc2ccccc2o1	408846751	RRYKBMCZJKFMQN-UUYOSTAYSA-N	348.333	4.596	50	40	EJGB	
COc1ccc(/C(C#N)=C/c2c(O)ccc3ccccc23)cc1OC	6490725	YIWFYLSFXKFAFO-LFIBNONCSA-N	331.371	4.627	50	40	EJGB	
COc1cc(/C=C/C#N)c(Br)cc1OCc1ccccc1	33597007	JWRGWHLZDDOWSZ-VMPITWQZSA-N	344.208	4.573	50	40	EJGB	
O=C(N/N=C\c1ccccn1)Nc1ccc(/N=N\c2ccccc2)cc1	104258320	DLYIAJYFRTWUAA-PZUCIDFCSA-N	344.378	4.653	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c4c(cccc24)CC3)cc1	408755444	UWJNZMPSCGPORN-UYRXBGFRSA-N	338.410	4.793	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c2ccccc12	59133269	DUFUHYVWFXFSHR-LGMDPLHJSA-N	342.398	4.703	50	40	EJGB	
Cc1cc(C)cc(CSCC(=O)NN=C2CCCCCCC2)c1	59503565	JTXCPHXGMZNNBL-UHFFFAOYSA-N	332.513	4.753	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@@H]2CC[C@]1(C)C2(C)C	101277574	YTCWFEJWUUTLFC-ZLGUVYLKSA-N	336.516	4.873	50	40	EJGB	
CCCCCO[C@H]1CC(F)(F)[C@](F)(C(F)(F)F)C[C@@H]1Cl	215669771	PQEUTYKKLJXARC-GUBZILKMSA-N	326.708	4.869	50	40	EJGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Nc3ccccc3)c2C)cc1	28217486	JBMLXLSYQAPUQB-HYARGMPZSA-N	346.434	4.558	50	40	EJGB	
CCCCC[C@@H](I)CC(F)(F)C(F)(F)F	98210391	HMBKRDXORAPLLH-SSDOTTSWSA-N	344.105	4.958	50	40	EJGB	
Cc1cccc(C(=O)N/N=C/c2c(OC(C)C)ccc3ccccc23)c1	409259221	XHLSRTDOZSWOQR-OEAKJJBVSA-N	346.430	4.699	50	40	EJGB	
COc1ccc(/C(Cl)=C(/C=O)c2ccc(Cl)cc2)cc1OC	17176453	JCDLDJOVFDZXKD-SAPNQHFASA-N	337.202	4.663	50	40	EJGB	
CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408601948	MJBJPTWWZRJPJC-HZGBGQKMSA-N	334.419	4.718	50	40	EJGB	
CC[C@H](Cl)C(=O)c1ccc(Br)c(C(F)(F)F)c1	575362618	KNRISZWZPNLWGB-VIFPVBQESA-N	329.543	4.668	50	40	EJGB	
O=C(CCc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	33024	PJKUASAGFBPJMR-HAVVHWLPSA-N	344.414	4.562	50	40	EJGB	
CCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	2669912	IUKHEWFNECGTCM-OBGWFSINSA-N	334.419	4.801	50	40	EJGB	
CC1=C2CC[C@@]3(C)C(=C2OC1=O)C(C)=C(Cl)[C@@H](Cl)[C@H]3Cl	5706934	CFCSBRUZYMZASC-KYOSRNDESA-N	333.642	4.655	50	40	EJGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1ccccc1	6209288	GKBLWJYBHOGUSZ-LDADJPATSA-N	349.430	4.796	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)cc1	211257111	LDVLFGCQFOEBQG-CYVLTUHYSA-N	345.446	4.531	50	40	EJGB	
O=C(CCCCCBr)c1cccc(F)c1C(F)(F)F	575360071	CIZRXSAWYAYHSF-UHFFFAOYSA-N	341.142	4.983	50	40	EJGB	
Cc1ccc(CSCC(=O)N/N=C/c2cccc3ccccc23)cc1	59474301	LOFUZVGTSDGUOA-LPYMAVHISA-N	348.471	4.532	50	40	EJGB	
ClC(Cl)c1nc(-c2ccc(C3SCCS3)cc2)no1	163100	AWHOSLAORNIISD-UHFFFAOYSA-N	333.265	4.691	50	40	EJGB	
Cc1ccc(/C=N/NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1	5928208	MOLUVBZTZTVIHC-WBUOQYNOSA-N	334.463	4.546	50	40	EJGB	
CC(C)c1ccc(NC(=O)[C@@H](Br)c2ccccc2)cc1	162865	ZHZYPTPLQVRAMY-INIZCTEOSA-N	332.241	4.885	50	40	EJGB	
CC1CCC(=NNC(=O)c2ccc(COc3ccccc3)cc2)CC1	4964944	NQNUSQMERLQREG-UHFFFAOYSA-N	336.435	4.562	50	40	EJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl)c1ccccc1	6410508	DKKKTQHCYCKKAB-JXCQQFQQSA-N	345.229	4.778	50	40	EJGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SC)N=C2CCCC(O)=C21	103541327	WZEPKALDPRBXPW-KRWDZBQOSA-N	340.448	4.718	50	40	EJGB	
CCOc1cccc(/C=C(/C#N)c2ccc(Br)cc2)c1	408535513	YRWNBAHYBBTUHB-GDNBJRDFSA-N	328.209	4.912	50	40	EJGB	
CC(C)(C)N(C=C(Cl)Cl)C(=O)N/N=C/c1ccc(Cl)cc1	32109907	MZIKEMSYTCFKKA-QGMBQPNBSA-N	348.661	4.761	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1	40948863	WGHAUDQDRUTUOK-NBVRZTHBSA-N	334.419	4.583	50	40	EJGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1ccc2ccccc2c1	143015641	HTNPEFZKBHRCHT-ODLFYWEKSA-N	345.398	4.930	50	40	EJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cn(C)c2ccccc12	408861309	QCYYOACNZCCILY-GXDHUFHOSA-N	349.821	4.686	50	40	EJGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1	5464941	YXKVSFRXNFSQJQ-PXLXIMEGSA-N	338.451	4.537	50	40	EJGB	
O=C(CCCC[C@H]1CCSS1)NCCc1c[nH]c2ccccc12	21182574	DBRLSZABKILQLD-HNNXBMFYSA-N	348.537	4.541	50	40	EJGB	biogenic
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	33410654	YKFAOYNXRNCQLG-UVTDQMKNSA-N	330.309	4.560	50	40	EJGB	
C[C@@H](CCl)OP(=O)(Cc1ccccc1)O[C@@H](C)CCl	1737325	NBJGKGQMNVHKHH-RYUDHWBXSA-N	325.172	4.668	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1cccc(F)c1	409392108	LCMUOJGCNGSYNI-WJDWOHSUSA-N	333.318	4.848	50	40	EJGB	
O=C(CCl)Nc1ccccc1Oc1ccc(Cl)cc1Cl	152827	KWZVXDMJPLZPKS-UHFFFAOYSA-N	330.598	4.963	50	40	EJGB	
BrCC1(Br)c2ccccc2-c2ccccc21	1609841	LZYCOVXXODSKGT-UHFFFAOYSA-N	338.042	4.700	50	40	EJGB	
N#CC(C#N)=C(N)/C=C(/C=C/c1cccc(Cl)c1)c1ccccc1	18007541	MBZIYFMUHJNGSH-LWINHUFBSA-N	331.806	4.697	50	40	EJGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1c(Cl)cccc1Cl	48361954	HMXKNVNUVJPUBA-FLIBITNWSA-N	347.157	4.691	50	40	EJGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C(C)C	408745589	SZSDBVPTYKVXHW-WQRHYEAKSA-N	348.446	4.981	50	40	EJGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1	408895447	KPEMYHRXTTXFNQ-FSJBWODESA-N	342.320	4.623	50	40	EJGB	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(Cl)Cl)c2C#N)C1	369527	HKQZVUZRKMDMRL-QMMMGPOBSA-N	345.295	4.513	50	40	EJGB	
CCC1CCC(=NNC(=O)COc2ccc(C)cc2C(C)C)CC1	4863325	RDAAYYQIBFMZSB-UHFFFAOYSA-N	330.472	4.570	50	40	EJGB	
CC(=O)N/N=C1/CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C	37536164	SFYPSVCTPUMMMY-PSPNFYJOSA-N	330.516	4.911	50	40	EJGB	
CCCCCCCC[C@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	2245724	ZFOIEUIJXVMYMK-SUMWQHHRSA-N	344.455	4.505	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CC[C@@H]1C2	44790603	YQHXIMPSJGLCGG-USAMFHPGSA-N	325.239	4.535	50	40	EJGB	
CCc1cccc(CC)c1NC(=O)c1ccc(CBr)cc1	96191250	YZXNFXZQARWBIX-UHFFFAOYSA-N	346.268	4.959	50	40	EJGB	
CCN(CC)c1ccc(C(=O)CCCCCBr)cc1	575358137	LCESVYRNZAAPMP-UHFFFAOYSA-N	326.278	4.671	50	40	EJGB	
COc1ccc(C(=O)[C@H](Cl)c2ccccc2)cc1C(F)(F)F	575360527	IHGMDKWUEHCCIE-CQSZACIVSA-N	328.717	4.877	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	478050	HMAPMIREVPFVGY-CIAFOILYSA-N	338.794	4.672	50	40	EJGB	
CCn1c(/C(C#N)=C/c2c(F)cccc2Cl)nc2ccccc21	3899784	HWKKLHMXODBNBX-ZRDIBKRKSA-N	325.774	4.913	50	40	EJGB	
C[C@H]1CCc2nc(/C(C#N)=C/c3ccccc3OC(F)F)sc2C1	5447158	KFLZXMBBSNWVFS-GJSJWPQCSA-N	346.402	4.933	50	40	EJGB	
O=C(N/N=C/c1ccccc1Cl)c1sc2ccccc2c1Cl	585204	HVVULZMVNOSHEM-DJKKODMXSA-N	349.242	4.972	50	40	EJGB	
Cc1nc(-c2ccccc2)sc1C(=O)N/N=C/[C@H](C)c1ccccc1	8517703	INQJVZKPMPSMMV-HADWXUJASA-N	349.459	4.638	50	40	EJGB	
COc1ccccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	40139996	ZSTSQKSINOYWSU-JYRVWZFOSA-N	336.778	4.620	50	40	EJGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2cccc3ccccc23)cc1	20197633	AKEIICMOVWDDRA-XQNSMLJCSA-N	346.430	4.783	50	40	EJGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1cc(Cl)ccc1Cl	33044012	YKJOJPSQWCDMHR-UFFVCSGVSA-N	346.217	4.629	50	40	EJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)c1	408726133	QBIMKURCIMMOMM-ATVHPVEESA-N	342.398	4.708	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C	408800758	PGCQFFKRDSFSPK-RVDMUPIBSA-N	340.810	4.593	50	40	EJGB	
CCOc1cc(Cl)c(/C=C(/C#N)c2cccc(F)c2)cc1OC	409394365	ZLBORGQOQINWOE-AUWJEWJLSA-N	331.774	4.951	50	40	EJGB	
CC[C@H]1CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21	104186918	ZWKJNJXYBJNVAT-IBGZPJMESA-N	331.419	4.878	50	40	EJGB	
O=C(CCCCBr)c1ccc(F)c(C(F)(F)F)c1	575360911	LSCXWMUZPZRRDL-UHFFFAOYSA-N	327.115	4.592	50	40	EJGB	
CN(C)c1ccc(/C=C(/C#N)c2ccccc2Br)cc1	17159560	NSDDBKANKHHKED-KAMYIIQDSA-N	327.225	4.579	50	40	EJGB	
Cn1c(/C(C#N)=C\c2ccccc2C(F)(F)F)nc2ccccc21	33377450	UANKXMQDLLPZJO-RAXLEYEMSA-N	327.309	4.656	50	40	EJGB	
Cc1ccc2c(c1)[C@H](Cl)[C@@H](Cl)[C@@H](C)N2C(=O)c1ccccc1	102674012	MOYBLVBLCSVNJJ-DQYPLSBCSA-N	334.246	4.931	50	40	EJGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	3255692	MAGBZKLSSCIZOR-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
CC(C)(C)c1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1	12747474	PEAQSRNNIXNIPG-NTCAYCPXSA-N	329.403	4.697	50	40	EJGB	
N#C/C(=C\Nc1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	96751817	QCSQVCZPDWRZJI-SDNWHVSQSA-N	348.387	4.695	50	40	EJGB	
CC(C)c1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1	408782405	HVAHSMJOOGEPSF-JJFYIABZSA-N	334.341	4.593	50	40	EJGB	
Cn1c(/C(C#N)=C/c2cccc(C(F)(F)F)c2)nc2ccccc21	5902088	HDSXWXYNJASWIP-UKTHLTGXSA-N	327.309	4.656	50	40	EJGB	
C=C(C)C(C#N)=C1C=C(C)N(c2ccc(OC)cc2[N+](=O)[O-])C(C)=C1	16756354	PWNHICCGWAOYOF-UHFFFAOYSA-N	337.379	4.627	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cc1	23612204	LAPIJACISWAZSP-SDNWHVSQSA-N	339.345	4.894	50	40	EJGB	
O=[P@@]1(N(CCCl)CCCl)Nc2ccc3ccccc3c2N1	103887002	ZXMRMPJZVQROQH-NRFANRHFSA-N	344.182	4.565	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(O)c(Cl)c2)cc1	408799125	XXANUAVCZFOVPK-WUXMJOGZSA-N	347.201	4.553	50	40	EJGB	
CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408872077	KCHMEFFZHNBLID-OVCLIPMQSA-N	340.810	4.593	50	40	EJGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1Cl	71482	JLFGAHBYSPAMPW-SDNWHVSQSA-N	348.789	4.744	50	40	EJGB	
O=C(c1ccccc1Cl)C(Cl)C(=O)c1ccccc1Cl	100802730	JPLPTHQVTZODDW-UHFFFAOYSA-N	327.594	4.666	50	40	EJGB	
CC(C)c1cc(/C=N/NC(=O)c2cccc(F)c2)cc(C(C)C)c1O	408859545	UZXBVTWLZGFALO-SSDVNMTOSA-N	342.414	4.542	50	40	EJGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccco2)nc1-c1ccccc1	5042712	MPGUYHFUFRAYFC-SDNWHVSQSA-N	349.415	4.816	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1	9190552	KRGOGRXFTUKLDR-UFWORHAWSA-N	341.625	4.719	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	40948901	GJNOIGXQQHASBI-NTCAYCPXSA-N	340.810	4.674	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2CC[C@@]1(C)C2(C)C	101277566	YTCWFEJWUUTLFC-TYCQWZJGSA-N	336.516	4.873	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C	100743085	YTVVIHAUIVTBQY-GRXQJBFDSA-N	336.516	4.729	50	40	EJGB	biogenic
C=CCOc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1	408543456	PEEGTTHQGPJGDI-SFQUDFHCSA-N	329.403	4.809	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1	494957	WMXYCCUGGVFSFM-NTCAYCPXSA-N	340.810	4.519	50	40	EJGB	
O=C(N/N=C/c1ccccc1Cl)C(c1ccccc1)c1ccccc1	3031811	BEZPXEORTWUKNP-HZHRSRAPSA-N	348.833	4.622	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	40948899	KMUNXOAYNLJSDX-NTCAYCPXSA-N	340.810	4.674	50	40	EJGB	
O=C(Nc1ccc(F)cc1)NN(Cc1ccccc1)c1ccccc1	57580449	PVZHIZNXFUYHFG-UHFFFAOYSA-N	335.382	4.569	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2	107547623	YQHXIMPSJGLCGG-YTPYPNSJSA-N	325.239	4.535	50	40	EJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)cc1	215254086	YFNIHBWXOLTYGZ-LUAWRHEFSA-N	347.201	4.548	50	40	EJGB	
Cc1cc2nc(-c3ccc(Cl)c(NC(=O)CCl)c3)oc2cc1C	216859112	NETDLINSAAHGKU-UHFFFAOYSA-N	349.217	4.942	50	40	EJGB	
Cc1cc(C)c(NC(=O)[C@H](Br)CCCCCl)c(C)c1	4590114	NAEAFRWQSQYOSV-CYBMUJFWSA-N	346.696	4.723	50	40	EJGB	
CCCCOc1ccc(NC(=O)N/N=C\c2ccccc2Cl)cc1	23397211	DEDTXWXVQVBDJS-MOSHPQCFSA-N	345.830	4.675	50	40	EJGB	
CC(C)(CCl)C(=O)c1ccc(Br)cc1C(F)(F)F	575362432	LIJYOQBTCVYLAM-UHFFFAOYSA-N	343.570	4.916	50	40	EJGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1	15938590	SLDPZGVYRJMDHK-CSPXMVGKSA-N	347.245	4.637	50	40	EJGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2cc(Cl)ccc2s1	24716412	DTRVMRBYTVCUEL-YRNVUSSQSA-N	341.779	4.922	50	40	EJGB	
CC(=O)O[C@@H]1c2ccc(cc2)CCc2ccc(cc2)[C@@H]1Br	3136907	VBFBMEDMURDRIK-ZWKOTPCHSA-N	345.236	4.526	50	40	EJGB	
O=C(N/N=C/c1cc(-c2ccccc2)sc1Cl)c1ccccc1	3148463	YHNBKJGDEOKYRV-UDWIEESQSA-N	340.835	4.832	50	40	EJGB	
CCn1c2ccccc2c2cc(NC(=O)N(CCCl)N=O)ccc21	4825102	DQNKJVVZYXJAIN-UHFFFAOYSA-N	344.802	4.569	50	40	EJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	53103050	XLZYNRFUYUWLBA-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	509266	AZLYETWUDTUBNQ-YRNVUSSQSA-N	349.217	4.685	50	40	EJGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c(C)cc(C)cc1C	33655872	OSPGAEJWPVNROC-YDZHTSKRSA-N	346.430	4.538	50	40	EJGB	
C[C@@H](Sc1ccccc1)C(=O)NN=C1CCC(C(C)(C)C)CC1	59401523	MDIDPBWWCSAWRB-GICMACPYSA-N	332.513	4.876	50	40	EJGB	
N#C/C(=C(/O)c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1	102877827	GEDNSVJHFMAHLF-PTNGSMBKSA-N	330.174	4.820	50	40	EJGB	
O=C(c1c(F)cc(Br)cc1F)[C@@H](Cl)c1ccccc1	126971018	JHIXVELELXTQEE-ZDUSSCGKSA-N	345.570	4.890	50	40	EJGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1cccc(F)c1	217707905	MQXVHSFJVMVFFC-UHFFFAOYSA-N	343.181	4.836	50	40	EJGB	
O=C(N/N=C\c1ccccc1)c1sc2cc(Cl)ccc2c1Cl	408971520	HNRQDZHRSNFJHB-OCKHKDLRSA-N	349.242	4.972	50	40	EJGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(Cl)cc1	409115445	RPOAKTGSZGCNGW-XSFVSMFZSA-N	346.883	4.671	50	40	EJGB	
CC(C)COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	44932781	VALUPZLRMJTDBM-ZROIWOOFSA-N	329.783	4.706	50	40	EJGB	
CCOc1cc2ccccc2cc1C(=O)NNc1cccc(Cl)c1	30614854	DUTSRVVZVREYQX-UHFFFAOYSA-N	340.810	4.649	50	40	EJGB	
N#C/C(=C/c1cccc(F)c1)C(=O)Nc1cccc(Cl)c1Cl	33362190	SXDHDLZBERJBHA-XFFZJAGNSA-N	335.165	4.678	50	40	EJGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1ccc(Cl)cc1	408855931	HMAVZVINRYVMQS-QPEQYQDCSA-N	348.185	4.521	50	40	EJGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1	20764271	CSNIQJQECKCDDB-PXLXIMEGSA-N	338.451	4.537	50	40	EJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	409245805	ZHFLFGHWIPAVFU-JAGHSJQASA-N	348.446	4.648	50	40	EJGB	
Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)nc(C(Cl)Cl)c2c1	358377	QBOQRXFXOUNGQK-UHFFFAOYSA-N	348.189	4.990	50	40	EJGB	
O=C(NCCC(c1ccccc1)c1ccccc1)NNc1ccccc1	40149908	HKSURJCHEHQFFG-UHFFFAOYSA-N	345.446	4.535	50	40	EJGB	
CCOc1ccc(/C=N/C2=C(C#N)[C@@H]3CCCC[C@H]3S2)cc1OC	4291928	BNYMNUMUBJTVOL-DMEAQOTDSA-N	342.464	4.554	50	40	EJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1C	408808467	PSLBRXHRKCLVMW-OVCLIPMQSA-N	340.810	4.511	50	40	EJGB	
ClC[C@H]1NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21	25389335	KBLAGFGRWPUXJS-XJKSGUPXSA-N	331.246	4.836	50	40	EJGB	
CC1(C)[C@@]2(C[C@H](Br)c3ccccc3)CC[C@@]1(C)C(=O)O2	100364559	OEJBIPVUKOLWGT-JQFCIGGWSA-N	337.257	4.635	50	40	EJGB	
CCOc1c(Cl)cc(/C=C(/C#N)c2ccccc2F)cc1OC	107734253	CRZQQJXRDFSWJC-JYRVWZFOSA-N	331.774	4.951	50	40	EJGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	206191772	NBWXRGUFBQLTMD-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
O=C(N/N=C\c1ccc(Cl)s1)c1cc2cc(Cl)ccc2o1	409021857	CFRWMCYBFGYDAV-IDUWFGFVSA-N	339.203	4.565	50	40	EJGB	
N#C/C(=C\c1cccc(F)c1)C(=O)Nc1cc(Cl)ccc1Cl	6410974	YCPOXUKRFVBZTQ-IZZDOVSWSA-N	335.165	4.678	50	40	EJGB	
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccccc1	218724028	JTICUCUTSZTYPX-BQYQJAHWSA-N	337.202	4.706	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(C(=O)O)cc1	408542729	NPYWJHSPIPZKDE-VBKFSLOCSA-N	348.789	4.893	50	40	EJGB	
CCCCCCCC[C@@H](C)[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	2245725	ZFOIEUIJXVMYMK-DYVFJYSZSA-N	344.455	4.505	50	40	EJGB	
CCOC(=O)/C(C#N)=C(/c1ccc(Cl)cc1)c1ccccc1Cl	17013566	NDHOGCCGRSTNBQ-ICFOKQHNSA-N	346.213	4.882	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	20248148	URICHFXLZKKAAM-WMRWHDLOSA-N	340.492	4.582	50	40	EJGB	
CCCCCCCC(=O)N/N=C(\C)c1ccc2ccccc2c1O	100806596	KKEYNYPWRYQAFC-RCCKNPSSSA-N	326.440	4.746	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1C	211428018	UCPQHQJGMZHPII-LCYFTJDESA-N	328.774	4.642	50	40	EJGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(Cl)cc1	445892	CPMPEASHOOERFR-CSKARUKUSA-N	335.165	4.678	50	40	EJGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1C1CCCC1	408769608	XABZYGHYCAKFRP-AQTBWJFISA-N	333.435	4.766	50	40	EJGB	
COc1ccc(C(=O)[C@@H](Cl)c2ccccc2)cc1C(F)(F)F	575360524	IHGMDKWUEHCCIE-AWEZNQCLSA-N	328.717	4.877	50	40	EJGB	
O=C(N/N=C\c1cccnc1)Nc1ccc(/N=N/c2ccccc2)cc1	17161350	STUUPUVACZDWKN-WRKLRJIISA-N	344.378	4.653	50	40	EJGB	
CCc1ccc(-c2nc3cc(NC(=O)CCl)cc(C)c3o2)cc1	216854998	LJWFWJMIJWZQLX-UHFFFAOYSA-N	328.799	4.543	50	40	EJGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(C)c(C)c2C)cc1	409140770	SJNRTZYGNOBGMZ-KKJJZKEWSA-N	340.492	4.551	50	40	EJGB	
CC1(C)CCC[C@]2(C)C(C[S@@](=O)c3ccccc3)=C(C=O)CC[C@@H]12	330731	BRLBABVJUBZFID-LEEZEASISA-N	344.520	4.916	50	40	EJGB	
Cn1c(/C(C#N)=C/c2ccc(C(F)(F)F)cc2)nc2ccccc21	3899788	GPRAQEYQUAZOQB-JLHYYAGUSA-N	327.309	4.656	50	40	EJGB	
CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C2	100983315	RQDWKDOPCYXHQD-GANKWPMTSA-N	339.266	4.925	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@H]3C)o2)cc1Cl	4904953	MSQGQGJOIZYYST-NONSYOFOSA-N	340.810	4.911	50	40	EJGB	
Cc1ccccc1-n1cccc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1	6044941	VXIJRNCGOQQYIA-LGMDPLHJSA-N	329.359	4.758	50	40	EJGB	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl)c1ccccc1	6410507	DKKKTQHCYCKKAB-XBUHWIKASA-N	345.229	4.778	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)c1ccc(Br)cc1	59138412	VYCZSDRGENJLBC-KAMYIIQDSA-N	343.224	4.706	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1cccc(C#N)c1	408565972	CRIBRPLNQHKBBP-WQRHYEAKSA-N	340.338	4.581	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)c1C	408604707	WJUYNHRXOYGNKN-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408865609	BLFUROLYTGCFNH-OVCLIPMQSA-N	340.810	4.593	50	40	EJGB	
O=C(Nc1ccc(Cl)cc1)[C@H](Cl)[C@H](Cl)c1ccccc1	1685436	CEFPLCZDFCBHST-ZIAGYGMSSA-N	328.626	4.866	50	40	EJGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OC	409393953	UBGMIKAVFQAQSD-AUWJEWJLSA-N	331.774	4.951	50	40	EJGB	
CC(C)n1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc21	408543145	PMYVZVXRIQVJGW-BOPFTXTBSA-N	330.387	4.985	50	40	EJGB	
CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c2ccccc21	408742400	AGDLZSMKBDSPTD-VBKFSLOCSA-N	329.403	4.515	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc(C2CCCCC2)cc1	17070734	PQDWSTCBVWGQTR-PXLXIMEGSA-N	336.435	4.594	50	40	EJGB	
CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1	20064750	KSULAWQEAGVPNG-GOSISDBHSA-N	338.476	4.602	50	40	EJGB	
CC(C)c1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(C(C)C)c1O	408843821	AXAZLJFHIZTGKZ-SSDVNMTOSA-N	342.414	4.542	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	1453589	ZRDPIFILFSUCED-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)OCO4)n2)cc1	6477755	HVUHNGZRWFMODS-PXNMLYILSA-N	346.411	4.911	50	40	EJGB	
Nc1ccc(S(F)(F)(F)(F)F)cc1I	100013283	KCVUJPBPIMSIHJ-UHFFFAOYSA-N	345.074	4.531	50	40	EJGB	
N#C/C(=C1/SSN=C1Cl)c1nc(-c2ccccc2)cs1	4265389	ZWKOBFKOBOFQIX-LUAWRHEFSA-N	335.866	4.992	50	40	EJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	48248430	BBAJULHCQNDHFR-UVTDQMKNSA-N	330.309	4.560	50	40	EJGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	4544429	BYOAEQKABPTZTR-WYRUSDGCSA-N	337.250	4.595	50	40	EJGB	
CCOC(=O)/C(C#N)=C(\C=C\c1ccc(SC)cc1)c1ccccc1	6497352	GWLSESSWZPRDIA-IYUGDCILSA-N	349.455	4.962	50	40	EJGB	
CC(C)(C)OC(=O)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O	15974031	UWKPHOGHGAFFKY-XXKASZFSSA-N	340.383	4.666	50	40	EJGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccco2)c(C)n1-c1ccccc1F	5570648	XFPICDJNUVRWRZ-PTNGSMBKSA-N	334.350	4.616	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	6617799	VKOKHYPTCXEFFI-FOWTUZBSSA-N	330.387	4.665	50	40	EJGB	
O=C(N/N=C\c1ccncc1)Nc1ccc(/N=N/c2ccccc2)cc1	31778104	WXHPMDSKRBVBFC-WRKLRJIISA-N	344.378	4.653	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	44027399	MAFPCNWZVVEZPV-MDWZMJQESA-N	336.778	4.620	50	40	EJGB	
CC1(C)CC2=NC(S)=C(C#N)[C@H](c3ccc(F)cc3)C2=C(O)C1	1298064	WSGQKXDHJFIQDP-HNNXBMFYSA-N	328.412	4.661	50	40	EJGB	
Cc1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1	6426606	YRKXBIOGDRUAGQ-UHFFFAOYSA-N	329.614	4.712	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	33339731	ZRDPIFILFSUCED-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408867452	MODFHVJOPMUPFK-VIZOYTHASA-N	340.810	4.511	50	40	EJGB	
N#C/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	6471493	QDWLPYZLOPMPDD-DUXPYHPUSA-N	332.172	4.704	50	40	EJGB	
COc1cccc(-c2csc(/C(C#N)=C/c3ccccc3OC)n2)c1	8664703	CTOHEOKDEBACAW-MHWRWJLKSA-N	348.427	4.891	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(O)c2ccccc2n1	9087260	WPSBBYBQMUDDKC-YRNVUSSQSA-N	342.185	4.706	50	40	EJGB	
COc1ccc(-c2csc(C(C#N)=C(SC)SC)n2)cc1	556179	KLXGOQJHARBSCX-UHFFFAOYSA-N	334.491	4.737	50	40	EJGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1	5370205	RGPHXONSNVWABA-ZQYRQQSISA-N	330.431	4.552	50	40	EJGB	
O=C(CBr)c1cc2ccc(OCc3ccccc3)cc2o1	199735253	ZVFAQWSKXOHJDI-UHFFFAOYSA-N	345.192	4.589	50	40	EJGB	
COc1cc(C)c(/C=N/NC(=O)Nc2ccc(C)cc2)cc1C(C)C	408852713	VSOKLPMFAXPFSI-CIAFOILYSA-N	339.439	4.591	50	40	EJGB	
Cc1cc(C(=O)CCl)c(C)n1-c1ccc(OC(F)F)c(Cl)c1	2631669	KOMWRPDTEHZNQE-UHFFFAOYSA-N	348.176	4.770	50	40	EJGB	
C/C(CCc1ccccc1)=N\NC(=O)CSc1ccc(Cl)cc1	59383030	VMJXVLVHIACECZ-XSFVSMFZSA-N	346.883	4.557	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc2c(c1)OCO2	409366369	UPZVTQCTVYFGQV-DHDCSXOGSA-N	333.318	4.879	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1	5873975	JGVNJDHUKDGGKW-NTEUORMPSA-N	337.810	4.988	50	40	EJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	408963346	NITIKIWNLTWLRN-FSJBWODESA-N	348.368	4.767	50	40	EJGB	
O=c1c(-c2ccccc2)coc2cc(OCCCCCl)ccc12	2559184	OMTLLCJOZPCRMP-UHFFFAOYSA-N	328.795	4.858	50	40	EJGB	
O=C(N/N=C\c1ccncc1)Nc1ccc(/N=N\c2ccccc2)cc1	104258339	WXHPMDSKRBVBFC-PZUCIDFCSA-N	344.378	4.653	50	40	EJGB	
Cc1cc(C(=O)c2ccc(C(C)(C)C)cc2)c(NC(=O)CCl)s1	415516	AXWMALUHKXRUHD-UHFFFAOYSA-N	349.883	4.762	50	40	EJGB	
COc1ccc(/C(C#N)=C/c2ccc(OC)c(Br)c2)cc1	408583613	VVRSOKARHVWGTN-NTEUORMPSA-N	344.208	4.530	50	40	EJGB	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408754604	RKQQMZIYGYBALH-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
O=C(CCCCBr)c1cccc(F)c1C(F)(F)F	575360754	MBQFVWYOXIBLJG-UHFFFAOYSA-N	327.115	4.592	50	40	EJGB	
CC1(C)[C@@]2(C[C@H](Br)c3ccccc3)CC[C@]1(C)C(=O)O2	3846021	OEJBIPVUKOLWGT-XKQJLSEDSA-N	337.257	4.635	50	40	EJGB	biogenic
C/C(=N/NC(=O)c1cccc2ccccc12)c1ccc(Cl)s1	13304890	WCZIFDLLVKRWAT-ODLFYWEKSA-N	328.824	4.709	50	40	EJGB	
CCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC	51010905	JKHZPYBGISDURB-VBKFSLOCSA-N	347.418	4.815	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	408735484	SRUTZDHUQBSRCF-KPKJPENVSA-N	347.201	4.553	50	40	EJGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cc1	70327	YCFHAVGFBAGKBL-VZUCSPMQSA-N	335.146	4.671	50	40	EJGB	
O=C(N/N=C/C=C/c1ccco1)c1sc2ccccc2c1Cl	2311091	QCWCBVWPLNQKDF-OBQYLLBLSA-N	330.796	4.577	50	40	EJGB	
C[C@@H]1C/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)CC(C)(C)C1	5445803	JNEVIBRVWJOZJO-HDHZYAPQSA-N	344.499	4.681	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	6431373	FGSCUSPWGFZUDZ-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)c1c(Cl)cccc1Cl	44028276	LWMPXUNILRCHFY-FLIBITNWSA-N	347.157	4.691	50	40	EJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc2ccccc2c1	253563529	FNHUELNMPAPUML-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc2c1OCO2	408550761	JREWQCKTVYJVGD-LSCVHKIXSA-N	329.355	4.641	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)cc1Cl	408991049	YTYQOIZDKYXBHP-QPEQYQDCSA-N	331.202	4.848	50	40	EJGB	
O=c1[nH]c2ccccc2nc1[C@H](Cl)c1ccc(Cl)cc1Cl	3154952	FJXVUHCJYXRDPP-CYBMUJFWSA-N	339.609	4.558	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCCC3)o2)cc1	32192935	ZMIKVXXVFUJULH-VKAVYKQESA-N	349.434	4.514	50	40	EJGB	
O=C(N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@H]1C2)c1ccccc1Cl	4902715	DJNVZWGUZOHXRE-LVTHFBOMSA-N	348.833	4.715	50	40	EJGB	
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)NN=C1CCCC[C@H]1C	5655942	RJXSAPUWPWUODC-IUODEOHRSA-N	335.879	4.521	50	40	EJGB	
N#CC(=C1CCCCC1)c1nc(-c2ccc3c(c2)CCC(=O)N3)cs1	8209799	DUTPZYITFLZFPX-UHFFFAOYSA-N	349.459	4.936	50	40	EJGB	
C/C(CCc1ccccc1)=N\NC(=O)CCSc1ccc(C)cc1	409130101	IHLCRKHVCHEDPF-HEHNFIMWSA-N	340.492	4.602	50	40	EJGB	
CN(C)c1ccc(/C=C(\C#N)c2cccc(Br)c2)cc1	1597821	DSEOGRHUQQIMNF-XNTDXEJSSA-N	327.225	4.579	50	40	EJGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c1	408806776	BSGWESBTIPCKPH-XNTDXEJSSA-N	340.810	4.593	50	40	EJGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(N4CCCCC4)o3)[nH]c2cc1C	408847487	NARUJNLMILWNHK-VBKFSLOCSA-N	346.434	4.827	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1cccc2ccccc12	4545159	YUWJVGXJXRSWHR-HYARGMPZSA-N	336.822	4.576	50	40	EJGB	
N#C/C(=C/c1ccncc1)c1nc2cc(C(F)(F)F)ccc2s1	33613591	PRBJCLSLKTVNFM-XFFZJAGNSA-N	331.322	4.774	50	40	EJGB	
N#C/C(=C\C=C\c1ccco1)C(=O)Nc1cccc(Cl)c1Cl	565608	BYEZRYHOKKRORO-UUQUVHMISA-N	333.174	4.688	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)c1	5619567	LKYPSDZBLOBDPP-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1	5751658	GWYDDVHHWCUNDJ-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
CC(/C=N/NC(=O)c1ccccc1O)=C\c1ccc(C(C)(C)C)cc1	15938188	LHQNCWUZRXPQTC-IUCDLXNESA-N	336.435	4.509	50	40	EJGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccccc1F	108270206	GRNNOSZNFOOJNJ-KAMYIIQDSA-N	333.322	4.589	50	40	EJGB	
O=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCCC1	409129746	SJIOGLRYCRBYAA-UHFFFAOYSA-N	345.295	4.663	50	40	EJGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	59269615	QXNFMZXONROSNJ-XNTDXEJSSA-N	340.810	4.593	50	40	EJGB	
O=C(N/N=C/C1=C(c2ccccc2)[C@@H]2C=C[C@@H]1C2)c1ccccc1Cl	100569992	DJNVZWGUZOHXRE-IEWWVBSOSA-N	348.833	4.715	50	40	EJGB	
CCCCCCCCCCS(=O)(=O)CCCCBr	102780535	KGRQAAKVIPWKOA-UHFFFAOYSA-N	341.355	4.717	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)Cn1cnc2ccccc21	408691955	ZVVWIVGYVZXROO-ZROIWOOFSA-N	337.810	4.696	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)cc1	573936	GWYDDVHHWCUNDJ-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
ClCCC[n+]1cc(-c2ccc3ccccc3n2)cc2ccccc21	4081516	AMLSJJFWOWBAIK-UHFFFAOYSA-N	333.842	4.971	50	40	EJGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	5370502	BJJKCQGFZOXNGV-CAUNFOBBSA-N	348.471	4.612	50	40	EJGB	
CCCCCCCCCCCC[C@H](CCl)OCCOCCO	100077107	PUQNRVGIXUEPBI-GOSISDBHSA-N	336.944	4.930	50	40	EJGB	
CC(C)(C)c1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1	216854890	RVNFEYKFEZVOPT-UHFFFAOYSA-N	342.826	4.970	50	40	EJGB	
N#C[C@H](Cl)Cc1ccc(-c2ccc(C[C@@H](Cl)C#N)cc2)cc1	7966372	MFFGCZPKLHIMKR-QZTJIDSGSA-N	329.230	4.701	50	40	EJGB	
CCOC(=O)/C(C#N)=C(/C=C/c1ccc(SC)cc1)c1ccccc1	12565946	GWLSESSWZPRDIA-DTUQOIQTSA-N	349.455	4.962	50	40	EJGB	
Cc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c(C)n1C1CC1	24100534	ZIJFDYQMCPDHHC-MHWRWJLKSA-N	329.403	4.711	50	40	EJGB	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1	33406162	TVVHSTBWVFTPQY-XFFZJAGNSA-N	341.779	4.922	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3cccs3)sc2c1	34798455	QEMYRIQMRWKBOZ-IUXPMGMMSA-N	334.853	4.689	50	40	EJGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(C(C)C)cc1	408787188	UDALUMLPPVBNTO-NDENLUEZSA-N	349.478	4.649	50	40	EJGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)c2ccccc2)cc1OCC	409065331	KPTFJPPJZYRYBH-RCCKNPSSSA-N	343.426	4.890	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1	5712719	CHBXZIVMHIVKRX-XNTDXEJSSA-N	340.810	4.593	50	40	EJGB	
COc1ccc(/N=c2/scc(CCl)n2Cc2ccccc2)cc1	100349424	CIUZMUDSHQDEPC-CZIZESTLSA-N	344.867	4.578	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc(C(=O)O)cc1	408545065	YWGQOICVXHMYND-BOPFTXTBSA-N	340.338	4.581	50	40	EJGB	
C=CCOc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	4452832	MEBWJRFEUULHLZ-LFIBNONCSA-N	345.402	4.509	50	40	EJGB	
Cc1cccc(/C=N/NC(=O)c2cc3c(s2)-c2ccccc2CC3)c1	5747704	QLNBBJPZXKTDNN-LPYMAVHISA-N	346.455	4.586	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	40948861	NNEODKXFOQDHMF-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408580451	BVGMDYIFYWMVLP-OQLLNIDSSA-N	343.810	4.820	50	40	EJGB	
COc1cc2c(cc1N(CCCl)CCCl)-c1ccccc1C2	1693073	UYGKHBMDGUHBIL-UHFFFAOYSA-N	336.262	4.550	50	40	EJGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(C)C	32799010	QEQWAKZVMKNONC-MHWRWJLKSA-N	347.418	4.670	50	40	EJGB	
O=C(Cl)c1ccc2oc(-c3ccccc3Br)nc2c1	217707579	UEHLDXYQUSNKOS-UHFFFAOYSA-N	336.572	4.636	50	40	EJGB	
CCOC(=O)/C(C#N)=C(\c1ccc(Cl)cc1)c1ccccc1Cl	1581313	NDHOGCCGRSTNBQ-BMRADRMJSA-N	346.213	4.882	50	40	EJGB	
Fc1c(F)c(Cc2ccccc2)c(F)c(F)c1CBr	94986126	NLZWYRXOGSDAPW-UHFFFAOYSA-N	333.122	4.729	50	40	EJGB	
CCCCCC(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	1736465	KFDVBLNAMFDMCF-LLVKDONJSA-N	338.360	4.502	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1cccc2ccccc12	408568933	XNPXDLNPHMRZMV-HAVVHWLPSA-N	330.431	4.540	50	40	EJGB	
O=C(CCCC[C@H]1CCSS1)Nc1nc2ccccc2s1	25402997	ZVSOPSBKGUOHHA-NSHDSACASA-N	338.523	4.949	50	40	EJGB	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(F)c(F)c1F	95476112	MPNZPOKJTOESPZ-SECBINFHSA-N	335.416	4.757	50	40	EJGB	
CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(C)cc1	408528557	FKGCEQWGIMPROQ-BKUYFWCQSA-N	344.842	4.591	50	40	EJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408569342	NIOBVBWMSNLQOX-NWFCWYBLSA-N	335.382	4.943	50	40	EJGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OC	409359834	CAMCZCLBPLWGBL-ZSOIEALJSA-N	344.208	4.530	50	40	EJGB	
N#C/C(=C\c1ccc(O)c(Br)c1)c1ccc(Cl)cc1	558810	ODAZVBMIOCFCGH-KPKJPENVSA-N	334.600	4.872	50	40	EJGB	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	2669602	TYZDLBBRLMBWSM-ACCUITESSA-N	329.783	4.850	50	40	EJGB	
CCCOc1ccc(-c2csc(NC(=O)CCCCl)n2)cc1	3281368	APPFJJLLJWKETI-UHFFFAOYSA-N	338.860	4.556	50	40	EJGB	
Cc1ccccc1-n1cccc1/C=C(/C#N)c1ccc(C(=O)O)cc1	6044940	OWBGXSZBDKWSMH-AQTBWJFISA-N	328.371	4.548	50	40	EJGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)c1cccc(Cl)c1	408856771	REMTYURDIVVFGN-MLPAPPSSSA-N	348.185	4.521	50	40	EJGB	
Cc1ccc(COc2ccc(/C=C/C#N)cc2Br)cc1	6300153	GJCMHEBRHIREBF-NSCUHMNNSA-N	328.209	4.873	50	40	EJGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2cccc3ccccc23)C1	12404050	OQNCUEZPKYORPP-FKNXBIFSSA-N	348.446	4.623	50	40	EJGB	
Cl[C@H]1CSc2nc(-c3ccccc3)c(-c3ccccc3)n2C1	325089	XDASAWQFRWASBV-OAHLLOKOSA-N	326.852	4.930	50	40	EJGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1c(Cl)cccc1Cl	44028275	LWMPXUNILRCHFY-DHZHZOJOSA-N	347.157	4.691	50	40	EJGB	
CCCCCO[C@@H]1CC(F)(F)[C@](F)(C(F)(F)F)C[C@@H]1Cl	215669723	PQEUTYKKLJXARC-AEJSXWLSSA-N	326.708	4.869	50	40	EJGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	2774429	JCMUHVGPZWIRDS-FMIVXFBMSA-N	347.201	4.548	50	40	EJGB	
Cc1cc(C)c(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1	6902596	PHMZNJZCLJDGIO-LICLKQGHSA-N	345.851	4.604	50	40	EJGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	7157810	CWWXXQAHXAVGPP-OQLLNIDSSA-N	344.336	4.868	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccccc2)s1)c1nnc2n1CCCCC2	7351661	DXJSHVDXBDDDCD-DTQAZKPQSA-N	346.459	4.797	50	40	EJGB	
ClCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2	3278098	TULUXDVSSAUPNQ-OAHLLOKOSA-N	339.616	4.796	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc2oc3ccccc3c2c1	4843899	MOJHHZSOLNYKEW-HYARGMPZSA-N	328.371	4.740	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)c(C)c1	59475008	ZFYWYEDSFKCILM-ATVHPVEESA-N	342.398	4.708	50	40	EJGB	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C2	100983313	RQDWKDOPCYXHQD-TZICJZKASA-N	339.266	4.925	50	40	EJGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSc1ccccc1	408863502	MZPPWYPTNACERI-LTGZKZEYSA-N	340.492	4.639	50	40	EJGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)cs1	1814112	YNIKGGXQZQSSBR-GXDHUFHOSA-N	347.399	4.515	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	33392573	KTUIVHNIXBNNSF-QINSGFPZSA-N	333.322	4.589	50	40	EJGB	
O=C(NN=C1CCCC1)c1ccc(CSCc2ccccc2)cc1	59473676	VIYFNOCHDNVQRI-UHFFFAOYSA-N	338.476	4.780	50	40	EJGB	
O=C(Cl)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	218718202	WKRZOEYINNNPGU-UHFFFAOYSA-N	329.566	4.592	50	40	EJGB	
N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccccc1	3217463	VFIXGJJYGONPGQ-FYWRMAATSA-N	346.411	4.976	50	40	EJGB	
N#C/C(=C\c1cccc(Br)c1)c1nc2ccccc2o1	11868102	DBNVJWBVLWRGMQ-XYOKQWHBSA-N	325.165	4.654	50	40	EJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1	6267241	QNJWJRKTZXFXIF-LGMDPLHJSA-N	329.359	4.758	50	40	EJGB	
Clc1ccc(-c2nc3ccccc3nc2CBr)cc1	16545200	QLDXLZKNILWEKL-UHFFFAOYSA-N	333.616	4.845	50	40	EJGB	
Cc1ccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)cc1	33690566	UNBIXHMMEFTIIL-JMIUGGIZSA-N	342.851	4.935	50	40	EJGB	
O=C(Cl)/C=C/c1ccc(OCc2ccccc2F)c(Cl)c1	218723414	BQCGLLWCCYJNBQ-SOFGYWHQSA-N	325.166	4.837	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccc(F)cc2[nH]1	408569705	PPMSDHGRUXDBLC-KPKJPENVSA-N	341.773	4.818	50	40	EJGB	
CC(=O)Nc1sc(/C(C#N)=C\c2ccco2)nc1-c1ccc(C)cc1	4899061	RTNFWQYZTLLCPZ-GDNBJRDFSA-N	349.415	4.734	50	40	EJGB	
O=C1[C@H](c2c[nH]c3ccccc23)N(c2ccccc2Cl)[C@@H]1Cl	5594169	WNMNYNDVFMOFER-RDJZCZTQSA-N	331.202	4.517	50	40	EJGB	
COc1ccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)c([N+](=O)[O-])c1	409366423	UYMOQMZLKUJLAL-PTNGSMBKSA-N	346.342	4.928	50	40	EJGB	
N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc(Cl)cc1	16400098	ODAZVBMIOCFCGH-GHXNOFRVSA-N	334.600	4.872	50	40	EJGB	
O=C(CCl)N(CC1CCCCC1)c1cccc2c(O)cccc12	199757139	NLHFZXMJEMXFSD-UHFFFAOYSA-N	331.843	4.698	50	40	EJGB	
C[Si](C)(C)OC(=O)CCCCCCCCC(=O)O[Si](C)(C)C	195781338	BDACUOPQFMCPLO-UHFFFAOYSA-N	346.616	4.863	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Cl)s1	408966821	OJYFGESDEADGLF-YFHOEESVSA-N	337.231	4.909	50	40	EJGB	
N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1cccc2ccccc12	3378574	PYARQAUVGQCROF-XNTDXEJSSA-N	348.789	4.744	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(Br)s3)nc2c1	9263495	KGNRSWUXUSGSAU-JXMROGBWSA-N	344.237	4.760	50	40	EJGB	
CCCCCCCC(=O)N/N=C/c1ccc(Sc2ccccn2)o1	3127139	LCLZADHOPOANNN-XSFVSMFZSA-N	345.468	4.636	50	40	EJGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	33409795	CKVTXKHGOPAHRT-SWEXZPIWSA-N	348.446	4.650	50	40	EJGB	
N#CC(C#N)=Cc1cc(Br)c(Sc2ccccc2)o1	196032258	PPTCXYMPQWWRMP-UHFFFAOYSA-N	331.194	4.624	50	40	EJGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(Cl)cc1Cl	408783001	JEMZSDYWYYNXIO-UDWIEESQSA-N	335.234	4.732	50	40	EJGB	
CC(C)(C)C1=C(C#N)[C@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1	139618	ATYARZSCGLJYIH-ZDUSSCGKSA-N	348.233	4.625	50	40	EJGB	
O=C(Cc1cccc2ccccc12)N/N=C/C=C/c1ccccc1Cl	3140120	HMXREFKWUVOSRC-NFOJNWBXSA-N	348.833	4.851	50	40	EJGB	
CC1=C(C#N)C(/C=C(\Cl)c2ccc(Cl)cc2)C(C#N)=C(C)N1	19944807	XOTOXQNFVDNIPQ-IDUWFGFVSA-N	330.218	4.734	50	40	EJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	1450768	PHQJINCVESUSBP-NISQSXRWSA-N	332.447	4.768	50	40	EJGB	
COc1ccc(NC(=O)NN(c2ccccc2)c2ccccc2)cc1	53494444	HJFVWRRYWQXNLO-UHFFFAOYSA-N	333.391	4.570	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	7609718	GDMBQMYBJLVTTR-YBFXNURJSA-N	335.451	4.615	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1ccc(C(=O)O)cc1	408542354	LCEQADJXLBAVBA-SFQUDFHCSA-N	329.355	4.611	50	40	EJGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@H]1c1ccccc1Cl	105182	LTPFVDLZFHHLSK-GOSISDBHSA-N	334.806	4.505	50	40	EJGB	aggregator
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(Cl)cccc1Cl	59474977	OLFAPIYIILKFJN-XFXZXTDPSA-N	331.202	4.848	50	40	EJGB	
CC(C)n1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	6348050	OTGWIHQNFCURFE-SRZZPIQSSA-N	339.826	4.640	50	40	EJGB	
COc1ccc(C(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1	13140762	AAFCHRAAMBWSDW-UKTHLTGXSA-N	332.186	4.792	50	40	EJGB	
COc1ccccc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	44028232	OMHXDNPAEVTATJ-FMIVXFBMSA-N	332.186	4.792	50	40	EJGB	
N#C/C(=C/c1ccc(Br)o1)c1nc2ccccc2s1	33935848	BOHYTSPKHNTGHT-CLFYSBASSA-N	331.194	4.716	50	40	EJGB	
O=C(OC(=O)c1cccc2ccccc12)c1cccc2ccccc12	100476461	BYVCTYDTPSKPRM-UHFFFAOYSA-N	326.351	4.990	50	40	EJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl)c1ccccc1	1450764	KIEXEEYHYMEOSN-KMHUVPDISA-N	345.229	4.778	50	40	EJGB	
N#C/C(=C/Nc1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1	95346042	ATNIMNQOOASLCX-UVTDQMKNSA-N	347.399	4.515	50	40	EJGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1	408994167	GSHMEIUMRIDULW-LPYMAVHISA-N	349.434	4.574	50	40	EJGB	
N#C[C@@H](Cl)Cc1ccc(-c2ccc(C[C@@H](Cl)C#N)cc2)cc1	101329951	MFFGCZPKLHIMKR-HDICACEKSA-N	329.230	4.701	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(C)s3)sc2c1	2766915	FDWVIWQHEINVDG-QGMBQPNBSA-N	348.880	4.997	50	40	EJGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc(N2CCCC2)c1C	15013791	JKYUBUUPODDMPA-QGOAFFKASA-N	342.446	4.844	50	40	EJGB	
ClCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21	2310889	ZVQXKWJHWSUFJM-UHFFFAOYSA-N	336.826	4.968	50	40	EJGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	4844308	BXQPUQXVXQVTLI-XFFZJAGNSA-N	336.174	4.723	50	40	EJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1	6947506	VYRKJDHKLPTASB-AQTBWJFISA-N	334.419	4.754	50	40	EJGB	
Cc1nc(-c2ccccc2)sc1C(=O)N/N=C/[C@@H](C)c1ccccc1	8517700	INQJVZKPMPSMMV-CNRHGSOZSA-N	349.459	4.638	50	40	EJGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H](Cl)C[C@@]1(Cl)C2(Cl)Cl	100355244	FCMVPUGRXPEIQX-ZZSFMQEBSA-N	335.272	4.829	50	40	EJGB	
CCCCC/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1	14920928	FRDPGPVSIMVSIM-BDWANSHPSA-N	334.463	4.891	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCC4)cc3F)[nH]c2c1	35351477	GUWHXNFGIPPTMH-WJDWOHSUSA-N	346.409	4.675	50	40	EJGB	
CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1	408868797	BJUQAOWXKRDZPQ-OVCLIPMQSA-N	340.810	4.593	50	40	EJGB	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)c1ccc2ccccc2n1	40138998	XYKZCXGKMNCCFV-OQLLNIDSSA-N	348.789	4.724	50	40	EJGB	
COc1cc(-c2cc3ccccc3oc2=O)c(Cl)cc1C(=O)Cl	218726407	JUQHWTPTBWWQNW-UHFFFAOYSA-N	349.169	4.501	50	40	EJGB	
CCC(=O)Nc1sc(/C(C#N)=C\c2ccco2)nc1-c1ccccc1	4898721	MPGUYHFUFRAYFC-KAMYIIQDSA-N	349.415	4.816	50	40	EJGB	
Cc1ccc(-c2nc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)co2)cc1	104252772	XUBRWXZXJSHQQS-MHWRWJLKSA-N	331.331	4.622	50	40	EJGB	
Cn1c(SCCCCl)nnc1-c1cccc(Cl)c1Cl	228927351	NEGJFQUKUCTVIU-UHFFFAOYSA-N	336.675	4.510	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	408737145	LEYZQRPIQLTLPC-HKOYGPOVSA-N	342.442	4.745	50	40	EJGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1	4071210	PXYAALWGFFZMKG-OQLLNIDSSA-N	333.372	4.782	50	40	EJGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccc(Cl)cc2)cc1	3253591	PXSZUVZHWRZELB-WOJGMQOQSA-N	338.838	4.687	50	40	EJGB	
N#C/C(=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(Cl)cc1	16525781	KMJQSVQECIGPTC-KAMYIIQDSA-N	348.789	4.744	50	40	EJGB	
COc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	40140013	JJTPYKQOCVVWAF-QPEQYQDCSA-N	336.778	4.620	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)cc1C	59303117	CHBZQTCYOBLRLH-JXAWBTAJSA-N	341.414	4.640	50	40	EJGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	408805181	JGCWMZFVYMXTGT-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)NC1CCCC1	4544502	IRGFVPUMTWUVTB-NBVRZTHBSA-N	340.426	4.959	50	40	EJGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OC(C)=O	6305787	FFWOHCDJGBJCPC-LDADJPATSA-N	343.382	4.838	50	40	EJGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc([N+](=O)[O-])c1O	6441177	LFZCPUKTKCKKIB-DHDCSXOGSA-N	346.342	4.526	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccc(CC)cc2)CC(=O)N1	9089325	HJMXFIZDXVVASO-QGZVFWFLSA-N	342.508	4.901	50	40	EJGB	
O=C(CSCc1cccc(Cl)c1)NN=C1CCCCCCC1	408855278	BOKXZZWZQNLDIJ-UHFFFAOYSA-N	338.904	4.790	50	40	EJGB	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	409099159	QSMHSYIOUGRZMQ-YBEGLDIGSA-N	341.842	4.632	50	40	EJGB	
O=C(CCl)Nc1ccc(Oc2cccc3cccnc23)c(Cl)c1	3149676	JEDDHSKRUJIXFL-UHFFFAOYSA-N	347.201	4.858	50	40	EJGB	
Cc1ccc2c(c1)[C@@H](Cl)[C@@H](Cl)[C@H](C)N2C(=O)c1ccccc1	4837590	MOYBLVBLCSVNJJ-AFAVFJNCSA-N	334.246	4.931	50	40	EJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C	408816123	SOBGZLADCXYATB-SLDJAQPHSA-N	349.478	4.533	50	40	EJGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(SC)cc1	8691200	QXZYUKHIFXTXTR-SAPNQHFASA-N	330.497	4.792	50	40	EJGB	
Fc1cc(C(F)(F)F)cc(Br)c1CBr	575690166	ZZRXNQMZGWTXKA-UHFFFAOYSA-N	335.920	4.502	50	40	EJGB	
CC(C)c1ccc(NC(=O)[C@H](Br)c2ccccc2)cc1	162863	ZHZYPTPLQVRAMY-MRXNPFEDSA-N	332.241	4.885	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccc3)sc2c1	35384961	OAFWSDYOKYKCOD-GRSHGNNSSA-N	328.824	4.627	50	40	EJGB	
Cc1cc(OC(=O)N(CCCl)CCCl)c(C(C)C)cc1N=O	4429064	BCEURHPMLHVCKU-UHFFFAOYSA-N	347.242	4.795	50	40	EJGB	
CCCCCCCCCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	100956336	SWGLYJLZWSFJPV-NBVRZTHBSA-N	337.420	4.559	50	40	EJGB	
CC(=O)N/N=C1/CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C	253498580	SFYPSVCTPUMMMY-NUFHGBEOSA-N	330.516	4.911	50	40	EJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2cccc(F)c2)cc1	409388966	AAWYABYWOBFLMI-VKAVYKQESA-N	331.394	4.747	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1	20248150	URICHFXLZKKAAM-REIAIGDLSA-N	340.492	4.582	50	40	EJGB	
CC(C)Oc1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1	40139845	DUJQOFHIVGDHKF-NTEUORMPSA-N	332.325	4.952	50	40	EJGB	
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	804883	BPSJPZLQSYBNQO-UHFFFAOYSA-N	336.354	4.716	50	40	EJGB	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2669738	JVAAPBNNMUPOJU-DHZHZOJOSA-N	348.185	4.890	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	5070073	SWQDFGIXYQKNTO-FMIVXFBMSA-N	347.201	4.548	50	40	EJGB	
N#CC(C#N)=Cc1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	40968294	VKJCKBGBZQGYHV-UHFFFAOYSA-N	343.169	4.643	50	40	EJGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)/C(=C/c1ccccc1)c1ccccc1	101730727	DAHZQRJCSDDGGK-HMMYKYKNSA-N	345.354	4.741	50	40	EJGB	
CC(C)c1ccc(-c2nc3ccc(NC(=O)CCl)cc3o2)cc1	216856468	ODWMAKDWOBPZPJ-UHFFFAOYSA-N	328.799	4.796	50	40	EJGB	
CCn1c(C)cc(/C=C(/C#N)c2cccc(Br)c2)c1C	409067894	QNLFGWKWQSPFEZ-SXGWCWSVSA-N	329.241	4.952	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)c(C)c1	59133320	LAEOGKJSJZXWQP-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
Cc1cccc(-n2cccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	6967844	YWEIGADQKLSRQI-LGMDPLHJSA-N	329.359	4.758	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	13301960	LLFQXEZCCFPPCP-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(C(C)C)cc2s1	20132374	OALJZZKQDQHBAB-JTQLQIEISA-N	341.274	4.532	50	40	EJGB	
CCOc1c(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cccc1OC	408541513	BOMURENXCHAKHY-LFIBNONCSA-N	347.418	4.651	50	40	EJGB	
Cc1ccc(Cc2cnc(NC(=O)CCCCl)s2)cc1Cl	4510739	MVUHBAFQKHAKHD-UHFFFAOYSA-N	343.279	4.653	50	40	EJGB	
COc1ccc(NC(=O)C(C#N)=C2CCC(C(C)(C)C)CC2)cc1	17066809	YOXNWVNSURXMIX-UHFFFAOYSA-N	326.440	4.690	50	40	EJGB	
C[C@@H]1CCc2c(sc(NC(=O)[C@@H](Cl)c3ccccc3)c2C#N)C1	74941569	PKJYMRONSNKLSF-BZNIZROVSA-N	344.867	4.663	50	40	EJGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NC1CCCC1	409195064	SRKKYFZTMOIZSH-KAMYIIQDSA-N	340.810	4.566	50	40	EJGB	
N#C/C(=C\c1ccccc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4813940	UUEFFQWHCGKLQS-XNTDXEJSSA-N	333.372	4.782	50	40	EJGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)Sc1nc2ccccc2s1	33786944	MLXCQFPFFGFQDM-UKTHLTGXSA-N	339.401	4.861	50	40	EJGB	
N#C/C(=C/c1ccccc1F)C(=O)Nc1cccc(Cl)c1Cl	59336116	ASMFJTRMPVOBFT-FLIBITNWSA-N	335.165	4.678	50	40	EJGB	
C#C/C=C\C[C@@H]1O/C(=C(\Br)CC)C/C=C/C[C@@H]1Cl	104188927	FMCNCJZDZVGTHG-YTPAPQHESA-N	329.665	4.925	50	40	EJGB	
C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)C(C)(C)C	5370213	CIPCROKIRBRDMQ-KMYAOZERSA-N	334.463	4.531	50	40	EJGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	44022619	RJCWOKWJRRDUHY-RVDMUPIBSA-N	340.810	4.673	50	40	EJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1C	408543743	SRWXGCIRAMULBM-UYRXBGFRSA-N	342.398	4.857	50	40	EJGB	
C[C@@H](Br)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	39414402	HYHKSZAIVUSVCB-SNVBAGLBSA-N	341.289	4.953	50	40	EJGB	
CCCCCCN(C(=O)CCl)c1nc(-c2ccccc2)cs1	2640173	ZYFQXKBJJKCXIO-UHFFFAOYSA-N	336.888	4.962	50	40	EJGB	
CC[C@@H](C)C(=O)[C@H](Br)[C@H](Br)c1ccccc1	5647993	LLGPUBLPMQBGPW-YUSALJHKSA-N	348.078	4.501	50	40	EJGB	
N#C/C=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1	6884561	IMCYZAZLPNSUDV-ONEGZZNKSA-N	329.186	4.981	50	40	EJGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(C(C)C)c3C)[nH]c2c1	409393550	YIKZSQPRDMWXGR-SXGWCWSVSA-N	334.423	4.635	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1Cl	5792389	OZMJEAYYTONHPK-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)Cl)o2)cc1	8729556	WLEDDWRWYMYHAV-PKNBQFBNSA-N	332.783	4.682	50	40	EJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccs3)o2)cc1Cl	57411712	SFFZEPKNHLPJIM-VXLYETTFSA-N	344.823	4.734	50	40	EJGB	
C[C@@H]1CCCCN1C(=O)c1cc(Cl)c(SC#N)c(Cl)c1	59842973	OLYNHPGDGDLFMG-SECBINFHSA-N	329.252	4.581	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccccc1F)c1nc2ccc(F)cc2[nH]1	408569216	MJOBQZLHPRIEJV-RAXLEYEMSA-N	346.340	4.696	50	40	EJGB	
CCOc1cc(C)c(/C=N/NC(=O)c2ccc(C)cc2)cc1C(C)C	408854128	YFMCDSCNAPHKFD-LPYMAVHISA-N	338.451	4.589	50	40	EJGB	
C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	4933694	MEOJXQCOQRQVLQ-SBNHVRHQSA-N	326.783	4.602	50	40	EJGB	
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C1\CCCC[C@@H]1C	15930421	RJXSAPUWPWUODC-LFWVRHJLSA-N	335.879	4.521	50	40	EJGB	
O=C(N/N=C\c1cccc(Oc2ccccc2)c1)Nc1ccccc1	33320129	HOXFBRAYKUUVNV-QNGOZBTKSA-N	331.375	4.635	50	40	EJGB	
CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c2ccccc21	408745387	RGGQTINGVTVFGB-VBKFSLOCSA-N	329.403	4.515	50	40	EJGB	
Cc1ccc([C@H](NC(=O)N2CCCCCC2)C(Cl)Cl)cc1F	3205609	LGFWOOZEGSXNJK-AWEZNQCLSA-N	347.261	4.565	50	40	EJGB	
CCN(CC)c1ccc(C(=O)NN=C(CC(C)C)CC(C)C)cc1	4881085	YQFPWTCWIFBBMN-UHFFFAOYSA-N	331.504	4.711	50	40	EJGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1	12492783	TVCKAOFKKXHVCK-HYARGMPZSA-N	336.822	4.576	50	40	EJGB	
CC1(C)CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21	104186486	KBIKDTSYFMRXTF-UHFFFAOYSA-N	331.419	4.662	50	40	EJGB	
CC[C@@H](Cl)C(=O)c1ccc(Br)cc1C(F)(F)F	575362485	QFKGJHSOBFYRTD-SECBINFHSA-N	329.543	4.668	50	40	EJGB	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(CCl)[C@H]3CC[C@]12C	4897061	BFSONJJIOSSESK-NXMWLWCLSA-N	348.914	4.942	50	40	EJGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1cccc(Cl)c1	35078724	ZVIZMGXLMNIUFO-VBKFSLOCSA-N	348.789	4.893	50	40	EJGB	
Cc1ccc(SCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	408860840	GJRFXYCXGKOZEM-UHFFFAOYSA-N	332.513	4.796	50	40	EJGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CC12CC3CC(CC(C3)C1)C2	17072605	CKZJLQUAMHQYEP-YDZHTSKRSA-N	349.478	4.533	50	40	EJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)cc1	216034814	VSRZKNKKJXXAGG-XFXZXTDPSA-N	347.201	4.548	50	40	EJGB	
COc1cc(OC)c(/C=C(/C#N)c2ccc3ccccc3c2)c(OC)c1	408551137	LHTYXTBKYQDDDC-WQRHYEAKSA-N	345.398	4.930	50	40	EJGB	
Cc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)c1C	408844082	UXQSYIHZCDAMCK-AWQFTUOYSA-N	335.234	4.683	50	40	EJGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(Cl)c(Cl)c1	5777283	KYVXSYFAWXSXLR-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	6209683	VIXXDYRHJJEVPC-UXBLZVDNSA-N	337.231	4.909	50	40	EJGB	
COc1ccc(N/C(=C\C=C(C#N)C#N)c2ccc(Cl)cc2)cc1	13464206	MDTRTIWUDYZVRR-ODLFYWEKSA-N	335.794	4.775	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	16412062	FMKNOJYNGFUZQB-NTCAYCPXSA-N	340.810	4.674	50	40	EJGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1Cl	408890653	XEHMJVPOHMFKTF-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	36580	YPQBZMWHQDIKII-YRNVUSSQSA-N	349.217	4.685	50	40	EJGB	
N#C/C(=C/Nc1cc(Cl)ccc1O)c1nc2cc(Cl)ccc2o1	100929677	RDIFORRNHBWSIR-HJWRWDBZSA-N	346.173	4.817	50	40	EJGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)Sc1nc2ccccc2s1	107644477	YOWBGJCZIHMXNM-UKTHLTGXSA-N	339.401	4.861	50	40	EJGB	
CCCCOc1ccc(NC(=O)NN=C/C=C/c2ccccc2)cc1	245241376	BZMLFZPLGLOZAL-UGSZWWICSA-N	337.423	4.686	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)c2cccc(Br)c2)o1	39127354	MDHSQMNBWHTMMK-KAMYIIQDSA-N	345.240	4.952	50	40	EJGB	
CC(C)n1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21	408938427	HTWAGCJWDOYDEH-UUYOSTAYSA-N	345.402	4.732	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408935941	IZOCLTWLTXUHKP-PDGQHHTCSA-N	334.419	4.638	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	1912624	LLVWLDZOVWGFKK-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)NC1CCCCC1	3209051	BODCYCHWKKEEJM-UHFFFAOYSA-N	336.650	4.606	50	40	EJGB	
Cc1cccc(NC(=O)[C@@]23CC[C@@](C)([C@@H]2Br)C3(C)C)c1	4185014	WHTXJHNIWIEXAU-RRQGHBQHSA-N	336.273	4.523	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@H](c2cccc(Cl)c2)CC(=O)N1	9331685	WEXPGKFFFDYMKN-HNNXBMFYSA-N	348.899	4.992	50	40	EJGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	4544432	BYOAEQKABPTZTR-JHGYQOIGSA-N	337.250	4.595	50	40	EJGB	
COc1ccc2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)ccc2c1	5269770	HPOMLNRLXQDXHR-GZTJUZNOSA-N	325.371	4.789	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1cccc([N+](=O)[O-])c1	33667164	POCUDALHXYAMCW-BOPFTXTBSA-N	341.326	4.791	50	40	EJGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3)c2C)c1	408759538	GRVAKFGWDUQUHC-HMAPJEAMSA-N	346.434	4.558	50	40	EJGB	
O=C(OCCc1ccccc1CCl)c1ccc(C(F)(F)F)cc1	163568	UTSHVNBWNFODDN-UHFFFAOYSA-N	342.744	4.844	50	40	EJGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccc2ccccc12	5704989	HRIPDRNBZBZTNU-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1ccccc1	3170647	QJHLSRNHFXBXHJ-UHFFFAOYSA-N	330.602	4.795	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	5747137	PBMFWVMJNOSLDW-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c2ccccc12	13800581	WCEHNQQSXLUCGH-QINSGFPZSA-N	346.361	4.533	50	40	EJGB	
COc1ccc2c(c1)CC[C@H]1C2=C(C#N)C(=N)C[C@H]1c1ccccc1	103217154	FRLKPJJHNIIODF-MOPGFXCFSA-N	328.415	4.742	50	40	EJGB	
C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	4898943	PEVXRDFALRLARI-ZJYAJDOYSA-N	326.783	4.602	50	40	EJGB	
CCn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21	408598563	DMPINOOQAZYYOX-OEAKJJBVSA-N	341.414	4.578	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	5445781	CFOSUNNQKXXUPG-UFFVCSGVSA-N	340.732	4.513	50	40	EJGB	
CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	18902980	MIWYYFNEORSTDO-SFQUDFHCSA-N	331.444	4.940	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	20786946	KCHBISHSZRLADL-NTEUORMPSA-N	330.309	4.560	50	40	EJGB	
N#C/C(=C/c1ccc(Br)s1)c1nc2ccc(F)cc2[nH]1	408569044	YLHRAJUDXBDSTQ-YVMONPNESA-N	348.200	4.590	50	40	EJGB	
O=S(=O)(C[C@@H](Cl)c1ccccc1)c1ccc(Cl)c(Cl)c1	1439607	WNUHZEVUZUNJIO-CQSZACIVSA-N	349.666	4.747	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1	6935378	FLDYBEXMMWNXFV-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	33409796	CKVTXKHGOPAHRT-MNTXUITRSA-N	348.446	4.650	50	40	EJGB	
Cc1cc(Br)cc(C)c1C(=O)CCCCBr	309559006	NRDBXXCFCYBBSG-UHFFFAOYSA-N	348.078	4.814	50	40	EJGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc1	4135144	GQCSLTYNUDOVEK-BOPFTXTBSA-N	346.411	4.800	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(O)cc1	33740904	ZGZUVZSXGJLJSY-RGEXLXHISA-N	340.382	4.605	50	40	EJGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(Oc2ccccc2)cc1	409116427	IZHIMFOQQANJSL-HAVVHWLPSA-N	344.414	4.562	50	40	EJGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl	4084999	RGXUTWOXGSXQTM-QCOUTAHVSA-N	332.856	4.707	50	40	EJGB	
CCCCCC1=CCC/C1=N\NC(=O)c1ccc(N(CC)CC)cc1	5693145	FUDLMTYBQMYVCN-LSDHQDQOSA-N	341.499	4.919	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@@H](c2cccc(Cl)c2)CC(=O)N1	9331687	WEXPGKFFFDYMKN-OAHLLOKOSA-N	348.899	4.992	50	40	EJGB	
N#C/C(=C/c1cc(Cl)cc(Cl)c1O)c1nc2ccccc2[nH]1	12341034	MEITWMVAGFKNHA-YHYXMXQVSA-N	330.174	4.639	50	40	EJGB	
Cc1ccc2sc(N(Cc3ccccc3)C(=O)CCl)nc2c1C	12504842	MEGDDPBJSBYRRI-UHFFFAOYSA-N	344.867	4.685	50	40	EJGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1CC(F)(F)F	5072559	QBDUIBSXRPWUEL-RIYZIHGNSA-N	344.340	4.608	50	40	EJGB	
O=C(N/N=C/C=C\c1ccccc1)c1sc2ccccc2c1Cl	7017032	BDIQLTQEELNRHI-XHEKZNBESA-N	340.835	4.984	50	40	EJGB	
N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1	7348010	CPHVYQZVVQUGFS-SDNWHVSQSA-N	348.387	4.695	50	40	EJGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	409112672	FRWRNYVLWKKGTO-KGENOOAVSA-N	340.492	4.751	50	40	EJGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)c(Cl)cc1OC	409393349	QKTUDMZCRXQRAJ-AUWJEWJLSA-N	331.774	4.951	50	40	EJGB	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)NN=C1CCCC[C@@H]1C	5655019	RJXSAPUWPWUODC-WFASDCNBSA-N	335.879	4.521	50	40	EJGB	
O=C(COc1ccccc1-c1ccccc1)NN=C1CCCCCC1	8182053	IYTBBDYKNVCNFX-UHFFFAOYSA-N	336.435	4.559	50	40	EJGB	
N#C/C(=C/C=C/c1ccccc1)C(=O)Nc1ccc(F)c(Cl)c1	48345441	LPSHHDFOVUYGHR-UQAUATQKSA-N	326.758	4.581	50	40	EJGB	
COc1ccc(/C(C#N)=C/c2ccc(Br)cc2)cc1OC	6182204	DTOBFYOUOZVIKV-NTEUORMPSA-N	344.208	4.530	50	40	EJGB	
Cc1cccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C	6268189	PCDPPLSHWPQAFP-UYRXBGFRSA-N	342.398	4.857	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2CC[C@]1(C)C2(C)C	101277568	YTCWFEJWUUTLFC-MAODMQOUSA-N	336.516	4.873	50	40	EJGB	
CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1	103871858	NNNTUTOERZHEAD-OAHLLOKOSA-N	330.840	4.972	50	40	EJGB	
C=C[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C	208526864	OFJUHIJYHDQXGZ-CABCVRRESA-N	341.568	4.962	50	40	EJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	408871535	HCENFOMLEWTUFU-WUXMJOGZSA-N	347.201	4.548	50	40	EJGB	
N#C/C(=C(/O)Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	101730502	XRMRDISRRJTXFO-YBEGLDIGSA-N	345.189	4.732	50	40	EJGB	aggregator
C=CCOCCCCCCCCCCC[Si](OC)(OC)OC	199863819	IJCWCSRPVHCXOJ-UHFFFAOYSA-N	332.557	4.578	50	40	EJGB	
N#C/C(=C/c1ccc(O)c(Br)c1)c1cccc(Cl)c1	408598946	LTTZLIWDFVTNDX-SDQBBNPISA-N	334.600	4.872	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1	408999769	XRAOBFGIDZZNOM-DEDYPNTBSA-N	336.416	4.503	50	40	EJGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	3902898	HRIUICXARFHWKW-GXDHUFHOSA-N	335.794	4.845	50	40	EJGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(Cl)cc1	59401712	XGNHOZALUDKTLN-KGENOOAVSA-N	328.843	4.814	50	40	EJGB	
COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc2ccccc2c1	408550391	GVNOOAOHZPSHDA-WQRHYEAKSA-N	330.343	4.821	50	40	EJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408812656	MFVZHVLYLSLAMM-DDLUMYACSA-N	349.478	4.533	50	40	EJGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccccc1Cl	408865884	CKKMPFHMTUAKCO-KGENOOAVSA-N	328.843	4.814	50	40	EJGB	
CCc1cc(CC)cc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)c1	20195502	PJKXQRCFXHJMTJ-HAVVHWLPSA-N	336.479	4.511	50	40	EJGB	
CSc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	3257722	HZUKGFZOPUBREL-GZTJUZNOSA-N	336.460	4.879	50	40	EJGB	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)c1	13137512	DGTQDKDRIXIJBA-RIYZIHGNSA-N	331.293	4.504	50	40	EJGB	
CC1(C)OC(c2ccc(NC(=O)CCCCCl)cc2)OC1(C)C	96191812	OEVKFJAAIBKBER-UHFFFAOYSA-N	339.863	4.637	50	40	EJGB	
COc1ccc(/N=C/C2=CN(Cc3ccccc3)C=C(C#N)C2)cc1	3163923	YUDDTQWMGLDGMV-YDZHTSKRSA-N	329.403	4.595	50	40	EJGB	
CC/C(=N\NC(=O)[C@@H](C)Nc1ccc2ccccc2c1)c1ccccc1	5727603	JYWDYBQHVGHEFQ-VWGHSQMFSA-N	345.446	4.571	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)c1C	33285558	NKXQUDKWVGDVQX-ATVHPVEESA-N	342.398	4.708	50	40	EJGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(Cl)cc1	409117011	NFWPEOHQVZYBPX-GNUZOCDUSA-N	346.883	4.669	50	40	EJGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C=C(C=O)C[C@H]4[C@@H]3CC[C@@H]2C1	118923517	IZJWIBVOSGOTPV-HRXWASAYSA-N	344.495	4.696	50	40	EJGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](Cl)[C@H](Cl)c1ccccc1	1685434	CEFPLCZDFCBHST-KGLIPLIRSA-N	328.626	4.866	50	40	EJGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccccc3)cc2)cc1	409228566	ZHLIHRMZUIZTQF-PXLXIMEGSA-N	346.455	4.910	50	40	EJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	409245807	ZHFLFGHWIPAVFU-QYPQLMHPSA-N	348.446	4.648	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2c(C)cccc2C)cc1	1912761	BJHVXTOWRVOYRB-QGOAFFKASA-N	335.403	4.605	50	40	EJGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(C(C)C)c2ccccc12	9202610	HSVJYGGRWVOGED-LPYMAVHISA-N	333.435	4.603	50	40	EJGB	
O=C(C=C(C1CC1)C1CC1)NNc1c(Cl)cc(Cl)cc1Cl	71970583	KGFHRBUXEKJHTF-UHFFFAOYSA-N	345.657	4.836	50	40	EJGB	
O=P1(N(CCCl)CCCl)Nc2cc3ccccc3cc2N1	104371974	SXDDXXOLEACZLC-UHFFFAOYSA-N	344.182	4.565	50	40	EJGB	
Cc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1Br	409365094	PWFFHPYVFQXULH-NSIKDUERSA-N	342.192	4.550	50	40	EJGB	
Br[C@@H](c1ccccc1)[C@H](Br)c1ccccn1	1700014	KFSIDJQXMLKJRU-QWHCGFSZSA-N	341.046	4.654	50	40	EJGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12	3242909	JKTOVLNTMLEJBS-SAPNQHFASA-N	337.467	4.860	50	40	EJGB	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1	65537977	LUKUABTWKIKMLB-FLIBITNWSA-N	335.165	4.678	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1Nc1ccccc1)c1cccs1	5516998	SDFVJQRCYMKUMG-KGENOOAVSA-N	335.432	4.646	50	40	EJGB	
CCOC(=O)N/N=C/c1c2ccccc2c(Cl)c2ccccc12	3275823	BQPZEFKHDPCPPA-RGVLZGJSSA-N	326.783	4.726	50	40	EJGB	
CC1(C)CCC[C@]2(C)C(C[S@](=O)c3ccccc3)=C(C=O)CC[C@@H]12	8672843	BRLBABVJUBZFID-XZDHIHRUSA-N	344.520	4.916	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1	9334749	UBORDBSQEKLOTR-CQSZACIVSA-N	348.899	4.992	50	40	EJGB	
O=C(N=C=S)c1ccc(-c2ccc(Br)cc2Cl)o1	73638367	HABULRXKPYGVSK-UHFFFAOYSA-N	342.601	4.606	50	40	EJGB	
C/C(=N/NC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1	46218	HWSOEDHKAOTZIC-KQWNVCNZSA-N	329.403	4.899	50	40	EJGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)c1ccc(Cl)cc1Cl)C2	6394801	RQDWKDOPCYXHQD-CXGLGPAZSA-N	339.266	4.925	50	40	EJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	6966513	BPNVUAMTFINQQX-LGMDPLHJSA-N	329.359	4.758	50	40	EJGB	
C[C@@H](/C=N/NC(=O)Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1	6996261	JIWYLMCAPBGEIL-BXDFRRGMSA-N	336.479	4.507	50	40	EJGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)C(C)(C)C	409148605	YUIWSTIXZOMUFI-VCHYOVAHSA-N	347.311	4.765	50	40	EJGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	1453857	WJRDWKHWQIWGMK-RVDMUPIBSA-N	340.810	4.673	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	6936556	NYXRHNBQAGRWGB-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
CN(CCC#N)c1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1	19074827	HWYNBFZVOPEVGM-DTQAZKPQSA-N	344.443	4.710	50	40	EJGB	
C(=N\CCSSCC/N=C\c1ccccc1)\c1ccccc1	104242369	SHOCZUFELCEMHI-IKBKFCNISA-N	328.506	4.606	50	40	EJGB	
O=C(/C=C/c1ccc(Cl)s1)c1ccc(O)c(CCCl)c1	32815312	PUKGXZRVIJVPKR-GORDUTHDSA-N	327.232	4.785	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccc(C#N)cc1	409371266	HIPRGZFKAGWTOX-WJDWOHSUSA-N	340.338	4.581	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(C#N)c1	17071366	GEFGGGINYOTWKN-WJDWOHSUSA-N	341.326	4.791	50	40	EJGB	
N#C/C(=C(\S)Nc1ccccc1F)c1nc2ccccc2s1	96996705	FZFOMLGDXHOIDR-XNTDXEJSSA-N	327.409	4.669	50	40	EJGB	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	409038703	ASQSPYNNFYPXAC-WUXMJOGZSA-N	349.173	4.974	50	40	EJGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	2744060	JXLKRKOSLBWGAV-YRNVUSSQSA-N	336.338	4.621	50	40	EJGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)OCO4)n2)cc1	4175125	HVUHNGZRWFMODS-LZYBPNLTSA-N	346.411	4.911	50	40	EJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\C(C)=C\c2ccccc2)cc1	15223239	QWKJLYAZYCAMIM-UEUHXYKBSA-N	332.403	4.577	50	40	EJGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1	39884414	FVBBXVBKUAGZKS-DTQAZKPQSA-N	344.370	4.501	50	40	EJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c1	59133235	CDXSYVVFADZGID-LDADJPATSA-N	334.419	4.636	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc3ccccc3c2)cc1	5379916	JZJKZRWIZOLHCO-HZHRSRAPSA-N	330.431	4.901	50	40	EJGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)c1	59250448	MBVHTZAEXDZTSN-JXAWBTAJSA-N	341.414	4.640	50	40	EJGB	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\C=C\c1ccccc1	96663209	CEGFVRYAXAEHGO-LWLFTOPOSA-N	330.431	4.913	50	40	EJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C	408816119	SOBGZLADCXYATB-RVZJCZPVSA-N	349.478	4.533	50	40	EJGB	
O=[N+]([O-])c1ccc(-c2nc(C(Cl)Cl)c3ccccc3n2)cc1	494805	REJSIUIKZYMFQW-UHFFFAOYSA-N	334.162	4.681	50	40	EJGB	
O=C(CCCC[C@@H]1CCSS1)N1CC2C[C@H]3CC1C[C@@H](C2)C3	68292727	MTQLBSNIPJWOSQ-RNONSGAXSA-N	339.570	4.738	50	40	EJGB	
[N-]=[N+]=NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	77272154	IMCMXUDELNLDCM-UHFFFAOYSA-N	346.394	4.681	50	40	EJGB	in-vitro
C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	4933681	MEOJXQCOQRQVLQ-QYSAYTBLSA-N	326.783	4.602	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	5131177	VOIVVGPRPUNFGX-RVDMUPIBSA-N	340.810	4.593	50	40	EJGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)Cn1cnc2ccccc21	408691702	MPYKMJKYBCCERI-GHXNOFRVSA-N	328.202	4.950	50	40	EJGB	
Cc1ccc2c(c1)[C@H](Cl)[C@H](Cl)[C@H](C)N2C(=O)c1ccccc1	4837587	MOYBLVBLCSVNJJ-VUCTXSBTSA-N	334.246	4.931	50	40	EJGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1cccc(Cl)c1	5705218	JJTZMBWDLAGEIG-UHFFFAOYSA-N	332.790	4.503	50	40	EJGB	
O=C(N/N=C/c1ccccn1)Nc1ccc(/N=N/c2ccccc2)cc1	18081014	DLYIAJYFRTWUAA-IZSQXYTLSA-N	344.378	4.653	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)cs3)[nH]c2c1	34846261	ZSNIVPKERVAJHB-YHYXMXQVSA-N	344.237	4.760	50	40	EJGB	
FC(F)(F)C(F)(F)[C@H](Cl)[C@@H](Cl)C(F)(F)C(F)(F)F	103527242	XGMGQPWNCNDPTP-JCYAYHJZSA-N	334.968	4.596	50	40	EJGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\C1CCCC1	104372289	IOLVQXKFARKSBN-MOSHPQCFSA-N	327.299	4.641	50	40	EJGB	
CSc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	5155500	HHRHSVVUCFXZMP-RVDMUPIBSA-N	332.428	4.988	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3sccc3C)sc2c1	6279318	HIJTYZKRNYDYFM-QGMBQPNBSA-N	348.880	4.997	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1	33612845	YIAUQFLJIWXVIC-FYJGNVAPSA-N	328.843	4.792	50	40	EJGB	
C[C@H]1CCc2c(sc(NC(=O)[C@H](Cl)c3ccccc3)c2C#N)C1	74941568	PKJYMRONSNKLSF-MEDUHNTESA-N	344.867	4.663	50	40	EJGB	
COc1ccc(C(F)(F)F)cc1C(=O)[C@@H](Cl)c1ccccc1	575361160	RZPSYBKGXFRHSL-AWEZNQCLSA-N	328.717	4.877	50	40	EJGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](Cl)[C@@H](Cl)c1ccccc1	1685433	CEFPLCZDFCBHST-KBPBESRZSA-N	328.626	4.866	50	40	EJGB	
ClCCNCc1cccc(Nc2ccnc3cc(Cl)ccc23)c1	1722170	QJMCHHARNHLLMU-UHFFFAOYSA-N	346.261	4.960	50	40	EJGB	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1ccc2ccccc2n1	48333100	MHJKAKRJVIEAAJ-UNOMPAQXSA-N	334.382	4.756	50	40	EJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	1450766	PHQJINCVESUSBP-TWQQJCIXSA-N	332.447	4.768	50	40	EJGB	
Cc1cccc(/C(C#N)=C/c2cc(C(=O)c3ccccc3F)cn2C)c1	16125707	UHQKQQPAKDKNNB-GZTJUZNOSA-N	344.389	4.768	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]	408588261	VJMOAWZONSRDCE-SDQBBNPISA-N	349.173	4.974	50	40	EJGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccccc1	408856448	IURQTVFPGSWDQK-SDXDJHTJSA-N	341.414	4.585	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(OC)c1	4175035	KNOPCUUWRDNHDT-YBEGLDIGSA-N	348.427	4.891	50	40	EJGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(Br)cc1	29590318	CJBUCTWITLKVFJ-LCYFTJDESA-N	344.145	4.580	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2ccccc2F)cc1Br	33547960	GIHYTQDDHDVIAN-WQLSENKSSA-N	332.172	4.661	50	40	EJGB	
N#C/C(=C/c1cccc(Br)c1)c1nc2ccc(F)cc2[nH]1	408569030	YEBKQIDNXGGAGA-WDZFZDKYSA-N	342.171	4.529	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(Oc2ccccc2)cc1	5445951	ZZESNJMZYQOBJE-HAVVHWLPSA-N	344.414	4.941	50	40	EJGB	
Cc1ccc(COc2ccc(Br)cc2/C=C/C#N)cc1	6204520	SEYFXPGREWYIIA-NSCUHMNNSA-N	328.209	4.873	50	40	EJGB	
O=C(Nc1ccc(F)cc1F)NN(c1ccccc1)c1ccccc1	16500245	JYRBDHDDPIXFEE-UHFFFAOYSA-N	339.345	4.840	50	40	EJGB	
C#CCn1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c2ccccc21	51093216	AARRVWHWMDKXQR-VBKFSLOCSA-N	336.398	4.523	50	40	EJGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccccc1	40889227	VPNJZVLEMNJTAG-VKAVYKQESA-N	342.398	4.784	50	40	EJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	408816168	REDIWVARQADNPH-UKTHLTGXSA-N	335.794	4.675	50	40	EJGB	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2669670	RONVQWUJHBGEHY-HLVNSREUSA-N	329.783	4.849	50	40	EJGB	
Cc1ccc(/C(C#N)=C2\C=C(Br)/C(=N\O)C=C2Cl)cc1	16970287	HIKCLHSDCTZZBA-NMYIEGGISA-N	349.615	4.518	50	40	EJGB	
Fc1c(Br)cc(C(F)(F)F)cc1CBr	575690039	SFPJWCFHHZTZCK-UHFFFAOYSA-N	335.920	4.502	50	40	EJGB	
ClCCn1c(-c2ccc(Cl)cc2)cn2c3ccccc3nc12	302055	AFBQSQMMCGJZES-UHFFFAOYSA-N	330.218	4.848	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2C(=O)O)o1)c1cccc(C#N)c1	6251895	GJLGHAUJXUDISG-WJDWOHSUSA-N	340.338	4.581	50	40	EJGB	
Cc1cc(Br)ccc1-c1ccc(/C=C/C(=O)Cl)o1	57353767	RSHDWGYSZYVPQD-QPJJXVBHSA-N	325.589	4.796	50	40	EJGB	
Cc1ccccc1/C=N/NC(=O)[C@@H](c1ccccc1)C1CCCCC1	408723711	CAWSKTTXGGGDTR-UYSKRRQASA-N	334.463	4.809	50	40	EJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cccc2ccccc12	408798525	JBQPCAXCFLOERF-QGOAFFKASA-N	342.398	4.703	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(C)c1	580129	HUFYAFZARHRKRL-XNTDXEJSSA-N	340.810	4.511	50	40	EJGB	
CCCCCCCCC(=O)N/N=C/c1ccc(OC(C)C)c(OC)c1	97965642	FLEIEQVERNSMMQ-RCCKNPSSSA-N	348.487	4.683	50	40	EJGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3ccc(Cl)cc3)oc12	216854606	HMKXAABXBBBBGB-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/[C@@H]3CC=CCC3)sc2c1	6279314	MWZBFONMTADEDL-AINDZBIGSA-N	332.856	4.935	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2	101158346	YQHXIMPSJGLCGG-BIPCVCKTSA-N	325.239	4.535	50	40	EJGB	
[C-]#[N+][C@H](c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1	101197935	NJEPMRBQSBUEHX-HNNXBMFYSA-N	340.231	4.694	50	40	EJGB	
Cc1ccccc1/C=N/NC(=O)[C@H](c1ccccc1)C1CCCCC1	408723710	CAWSKTTXGGGDTR-BQNPTPDXSA-N	334.463	4.809	50	40	EJGB	
COc1ccc2nc(/C(C#N)=C\c3cccc(C(F)(F)F)c3)[nH]c2c1	409393206	VPHHRZANRZJXCW-GHXNOFRVSA-N	343.308	4.654	50	40	EJGB	
COc1cc(C=C(C#N)C#N)ccc1OCc1c(C)cc(C)cc1C	135424	HMMRLFOAXPKCFI-UHFFFAOYSA-N	332.403	4.630	50	40	EJGB	
CCOc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC	5927872	KBEJNEQSOWTHEP-WJDWOHSUSA-N	347.418	4.733	50	40	EJGB	
C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C(C)(C)C)cc1	33044016	DKSLMMNYGCUEHW-OEAKJJBVSA-N	333.435	4.619	50	40	EJGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(N)=S	408542437	ITZZVTLXHICPLB-PDGQHHTCSA-N	344.439	4.612	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c([N+](=O)[O-])c1	4613792	MQHXIYVBVAXINJ-GZTJUZNOSA-N	349.390	4.572	50	40	EJGB	
Cc1ccc(/C(C#N)=C2/C=C(Br)/C(=N\O)C=C2Cl)cc1	5104081	HIKCLHSDCTZZBA-WRLBYYRLSA-N	349.615	4.518	50	40	EJGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)c1	409365481	QWUKBNFNFQVOHG-AQTBWJFISA-N	329.355	4.797	50	40	EJGB	
O=C(N/N=C1/CCc2ccccc21)c1sc2ccccc2c1Cl	5832904	GLKABWMRQWBHEF-ZHZULCJRSA-N	340.835	4.635	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	40948862	GYQYRGDDYRGPLT-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(-c2ccccc2)cc1	4656813	AFUHAMJFFFGNMC-HAVVHWLPSA-N	328.415	4.816	50	40	EJGB	
O=C(CCCl)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	5215171	PEUIUZMBWHGBJB-UHFFFAOYSA-N	349.670	4.608	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@@H]1C2	5893609	YQHXIMPSJGLCGG-WUBSQBQHSA-N	325.239	4.535	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1	7210418	KCWOOHIDZBXQGF-NTUHNPAUSA-N	331.202	4.848	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F	6209399	RWXOADHZFJJFRO-YRNVUSSQSA-N	335.165	4.678	50	40	EJGB	
O=C(CCCCCBr)c1ccccc1OC(F)(F)F	575359026	MXSAQTFNBIJLTD-UHFFFAOYSA-N	339.151	4.723	50	40	EJGB	
CC[C@@H](Cl)C(=O)c1ccc(Br)c(C(F)(F)F)c1	575362617	KNRISZWZPNLWGB-SECBINFHSA-N	329.543	4.668	50	40	EJGB	
CCCCCCCCC(=O)N/N=C/c1ccc(N(CC)CC)cc1	97965563	FEMXTCHZHCBJDC-HEHNFIMWSA-N	331.504	4.734	50	40	EJGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(N)=S	108040929	OBRUUDITIZPPOT-WOJGMQOQSA-N	344.439	4.612	50	40	EJGB	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	408588472	WKUPIYXOZNSNBD-WZUFQYTHSA-N	335.146	4.671	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)cc1Cl	408734954	MAIGGXXEWDXWFM-WUXMJOGZSA-N	347.201	4.553	50	40	EJGB	
O=[P@]1(N(CCCl)CCCl)Nc2ccc3ccccc3c2N1	103887006	ZXMRMPJZVQROQH-OAQYLSRUSA-N	344.182	4.565	50	40	EJGB	
CCCC[C@@H](I)CC(F)(F)C(F)(F)F	72265604	TWRDGEVFVONRST-ZCFIWIBFSA-N	330.078	4.568	50	40	EJGB	
N#CC1=C(NC(=O)c2ccccc2)c2ccccc2CC12CCCCC2	221532	MPJASUXJLLUCIH-UHFFFAOYSA-N	342.442	4.858	50	40	EJGB	
COc1ccc(/C(Cl)=C(\C=O)c2ccc(Cl)cc2)cc1OC	1613540	JCDLDJOVFDZXKD-VKAVYKQESA-N	337.202	4.663	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1	9375019	XLYXEMDIBSUMAP-INIZCTEOSA-N	328.481	4.647	50	40	EJGB	
O=C(NNc1ccccc1Cl)Nc1cccc(C(F)(F)F)c1	33040344	UERSRNROEBDZIL-UHFFFAOYSA-N	329.709	4.507	50	40	EJGB	
O=C(N/N=C/c1ccncc1)Nc1ccc(/N=N\c2ccccc2)cc1	104258346	WXHPMDSKRBVBFC-NFEGURHZSA-N	344.378	4.653	50	40	EJGB	
COc1cccc(NC(=O)NN(c2ccccc2)c2ccccc2)c1	11559413	RYEHOBASQWDDAP-UHFFFAOYSA-N	333.391	4.570	50	40	EJGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408881046	LWHDJWAPMPHLBI-XQNSMLJCSA-N	346.430	4.783	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409389831	CJMPKMZTEBFKTD-QPEQYQDCSA-N	332.172	4.661	50	40	EJGB	
CC(=O)n1cc(N(C(=O)CCl)c2ccc(C)cc2)c2ccccc21	478505	NGYOGKGATBXFQL-UHFFFAOYSA-N	340.810	4.513	50	40	EJGB	
CCCCOc1ccccc1/C=N/NC(=O)C1[C@H]2CCCCCC[C@@H]12	18098985	FBACRZTZPVGHSM-PRUUECNNSA-N	342.483	4.532	50	40	EJGB	
N#C/C(=C/C=C\c1ccccc1)c1nc(O)c2cc(Cl)ccc2n1	33471684	WTLDSFPDMATNPP-STIUHYITSA-N	333.778	4.609	50	40	EJGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OC	408580998	FVPDPMRVCRQXLV-OQLLNIDSSA-N	343.810	4.820	50	40	EJGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	6428673	DZJYBCNAAXEQRS-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
CCCCCCCCCCOc1ccc(/C(C)=N/NC(N)=O)cc1	100943833	OREUNUSEUOSGSY-LTGZKZEYSA-N	333.476	4.598	50	40	EJGB	
CCn1c(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21	409364820	MIGUXSJKYPQGPE-VBKFSLOCSA-N	331.375	4.942	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(OC)c1	23101770	KNOPCUUWRDNHDT-MHWRWJLKSA-N	348.427	4.891	50	40	EJGB	
ClC[C@@H]1NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21	25389340	KBLAGFGRWPUXJS-CJNGLKHVSA-N	331.246	4.836	50	40	EJGB	
CSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(O)CCCC2=N1	96900858	VNMBBDSTZZVBDY-HNNXBMFYSA-N	330.840	4.972	50	40	EJGB	
O=C(CCCCCBr)c1ccc(OC(F)(F)F)cc1	575359067	PJOZXFOUROBFTF-UHFFFAOYSA-N	339.151	4.723	50	40	EJGB	
CC[C@@H]1CC[P+](c2ccccc2)(c2ccccc2)c2ccccc21	104186915	ZWKJNJXYBJNVAT-LJQANCHMSA-N	331.419	4.878	50	40	EJGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)c1ccc(Br)cc1	408782938	LJQOWQCTWLWSKT-GHXNOFRVSA-N	334.600	4.872	50	40	EJGB	
Cc1ccc(S/C(Cl)=C(/C#N)NC(=O)c2ccc(C)cc2)cc1	35813377	XOFNAHSMCFHIKX-MSUUIHNZSA-N	342.851	4.757	50	40	EJGB	
Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C/C(=O)Cl)o2)cc1Cl	40541578	JRMGODWJRUDFTO-HWKANZROSA-N	326.135	4.595	50	40	EJGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1C=COC2=C1CCCC2	68592148	UXSQJZRONDFDHD-NRFANRHFSA-N	336.371	4.741	50	40	EJGB	
COC(=O)c1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1	408580701	RATUFSZPEBTMNA-MDWZMJQESA-N	332.186	4.844	50	40	EJGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	409133906	QZFDDPYDOVVQBZ-REIAIGDLSA-N	340.492	4.749	50	40	EJGB	
C[C@]1(c2cccs2)CC(c2cccs2)=C(C#N)C(=N)C1(C#N)C#N	5003613	QMQKARXFOQEKLR-QGZVFWFLSA-N	348.456	4.502	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@H](c2ccc(CC)cc2)CC(=O)N1	9089324	HJMXFIZDXVVASO-KRWDZBQOSA-N	342.508	4.901	50	40	EJGB	
C#C/C=C\C[C@@H]1O/C(=C(/Br)CC)C/C=C/C[C@@H]1Cl	33913362	FMCNCJZDZVGTHG-IVFXLCLHSA-N	329.665	4.925	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)Cn1cnc2ccccc21	408691775	PSOKXHQGXJYRJJ-FOWTUZBSSA-N	339.398	4.805	50	40	EJGB	
O=C(NN=C1CCCCCCCCCCC1)c1cccc([N+](=O)[O-])c1	4199347	ADKUPGQMDWYAFW-UHFFFAOYSA-N	345.443	4.985	50	40	EJGB	
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CCl	494768	BLQNOCSHZVXSLN-HXUWFJFHSA-N	327.855	4.747	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)c(C)c1)c1ccc(C(C)(C)C)cc1	14134596	IPMREEHCKDBJHR-HAVVHWLPSA-N	336.479	4.684	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(C)C)cc1C	59133322	VHFWRMSGTNHGOB-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1	408804391	FIOMHVSUINEECT-OQLLNIDSSA-N	340.810	4.593	50	40	EJGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C#N)[C@@]4(C)CC[C@H]32)C1	3881624	HCTQIFCJBHHREQ-KNPYFFGGSA-N	339.479	4.941	50	40	EJGB	
Cc1ccc(SSc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-]	90367335	WDJWYLDKUPYESP-UHFFFAOYSA-N	336.394	4.919	50	40	EJGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc3ccccc23)cc1	409140863	SXTFHAAOZYULJH-SITPEIFSSA-N	348.471	4.779	50	40	EJGB	
CCOC(=O)/C(C#N)=C/c1c(C)cc(C)c(C(Cl)Cl)c1C	42451	SIJBOUXIEZGFIJ-KPKJPENVSA-N	326.223	4.558	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c(Cl)c1	9190638	OYCARZZERGDHLX-CIAFOILYSA-N	328.843	4.710	50	40	EJGB	
N#C/C=C/c1cc(Br)ccc1OCc1cccc(F)c1	33744311	QVXFTFAZJWOVNX-DUXPYHPUSA-N	332.172	4.704	50	40	EJGB	
C=CCOc1cccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c1	33853785	WGORCXDREBAURJ-GZTJUZNOSA-N	329.403	4.809	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)s1)c1nc(O)c2ccc(Cl)cc2n1	36391511	PPSYLOLWRBMCQK-VMPITWQZSA-N	348.214	4.768	50	40	EJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1	408776401	NSMQQAWCAXQHLN-GDNBJRDFSA-N	340.810	4.673	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C)cc1C	5538319	SVJBRIWSXILVFW-UDWIEESQSA-N	335.234	4.764	50	40	EJGB	
O=C(Nc1ccc(Cl)cc1)O[C@H](CCl)COc1ccccc1	16490698	DXFSFVDJPOLCRF-OAHLLOKOSA-N	340.206	4.575	50	40	EJGB	
O=C(c1ccccc1)[C@@H](Cl)[C@H](Cl)C(=O)c1ccc(Cl)cc1	1685446	JWKFAAMBZBSWGZ-KBPBESRZSA-N	341.621	4.620	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)c1	5747901	AWAJMRPXXODNRQ-XFXZXTDPSA-N	331.202	4.848	50	40	EJGB	
N#CCOc1ccccc1/C=C(\C#N)Sc1nc2ccccc2s1	33828582	ZANZRANYGLOIAM-SDNWHVSQSA-N	349.440	4.855	50	40	EJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccco1	15012972	PLZGLSJETXGOBU-OCKHKDLRSA-N	349.173	4.610	50	40	EJGB	
O=C(Nc1ncc(Cc2ccccc2)s1)[C@H](Cl)c1ccccc1	3491330	VEDUSVOYWQBTAI-MRXNPFEDSA-N	342.851	4.653	50	40	EJGB	
O=C(CCCCCBr)c1ccc(Br)cc1	3848665	AJXQHTUMXPFIHL-UHFFFAOYSA-N	334.051	4.587	50	40	EJGB	biogenic
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1C(=O)O	408580723	RHELDRHHKBNKEM-NTEUORMPSA-N	327.767	4.501	50	40	EJGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(C(C)C)cc1	16362802	PMBFRAZAEKDVGB-CIAFOILYSA-N	340.492	4.502	50	40	EJGB	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	4898940	PEVXRDFALRLARI-PIQUAJRNSA-N	326.783	4.602	50	40	EJGB	
CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21	15227179	JMYZJMWJTXWGMF-VBKFSLOCSA-N	329.403	4.515	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)c1cccc([N+](=O)[O-])c1	33421854	GFBDLVFTMSICCY-RIYZIHGNSA-N	328.755	4.711	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3cccc(C(F)(F)F)c3)[nH]c2c1	33644201	PGHFAEVRWMNNIW-JYRVWZFOSA-N	327.309	4.954	50	40	EJGB	
N#C/C(=C/c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2[nH]1	408570382	UKUKJMDFRNQXCY-WDZFZDKYSA-N	331.272	4.785	50	40	EJGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1O	408583155	RXZKEASOTHHWQZ-RIYZIHGNSA-N	329.783	4.517	50	40	EJGB	
N#C/C(=C\c1cc2ccccc2nc1Cl)c1nc2ccccc2[nH]1	408978354	YWKVSOZLGQKSIL-GXDHUFHOSA-N	330.778	4.829	50	40	EJGB	
COC(=O)c1sccc1-c1ccc(/C=C(/C#N)c2ccccc2)o1	3028873	RQNWVIFEPREBSL-KAMYIIQDSA-N	335.384	4.859	50	40	EJGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)c1	408740893	IYLAJOMGINWTGT-LDADJPATSA-N	334.419	4.754	50	40	EJGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2cc3ccccc3cc2O)C1	12403697	NBFSKQNISYOHDF-GYKMOOBXSA-N	334.419	4.564	50	40	EJGB	
C[C@H]1Cc2cc(/C=C(\C#N)c3ccc(Br)cc3)ccc2O1	408710853	PVFICYZKKHFZJY-SEJMYLSOSA-N	340.220	4.837	50	40	EJGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C=O)=C[C@@]4(C)CC[C@@H]32)C1	1736192	IZJWIBVOSGOTPV-ASISCSHQSA-N	344.495	4.696	50	40	EJGB	
COc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1OCC(C)C	8207300	BQOCTIYWFGMGKE-VIZOYTHASA-N	328.437	4.559	50	40	EJGB	
C=CCOc1cccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1	408599358	SZMOZAYAVOLMPR-FOWTUZBSSA-N	333.416	4.784	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	5620319	FUOGFOWHHBROQI-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
N#CC(C#N)=Cc1ccc(-c2ccc(Cl)cc2Br)o1	252483441	FBQMVUFYPXSYAD-UHFFFAOYSA-N	333.572	4.793	50	40	EJGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C#N)[C@@]4(C)CC[C@@H]32)C1	4062098	HCTQIFCJBHHREQ-VEYVBMQYSA-N	339.479	4.941	50	40	EJGB	biogenic
CC(C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	59116857	GPSPTHLJZDDLCD-PTNGSMBKSA-N	340.810	4.673	50	40	EJGB	
COC(=O)c1cc(Br)cc(S(F)(F)(F)(F)F)c1	224188454	UJJWWMYCMCGQBE-UHFFFAOYSA-N	341.095	4.893	50	40	EJGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)c1ccc2ccccc2n1	53108131	DSYLGPVSTNRXFP-RVDMUPIBSA-N	340.411	4.817	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccccc1F)c1cccc([N+](=O)[O-])c1	107846335	KVEAQJBMYFINCP-QINSGFPZSA-N	333.322	4.589	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc12	408565938	CNLCLIZMJDMAPV-UVTDQMKNSA-N	343.361	4.928	50	40	EJGB	
O=C(c1ccccc1)[C@H](Cl)[C@H](Cl)C(=O)c1ccc(Cl)cc1	1685445	JWKFAAMBZBSWGZ-KGLIPLIRSA-N	341.621	4.620	50	40	EJGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(OC)c1OC	1730823	KYQTVKOFYAHLNW-BOPFTXTBSA-N	345.398	4.930	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cn(C)c2ccccc12	408984024	PIFOKNIAFJKXET-UVTDQMKNSA-N	349.821	4.686	50	40	EJGB	
CC[C@H](Cl)C(=O)c1ccc(Br)cc1C(F)(F)F	575362486	QFKGJHSOBFYRTD-VIFPVBQESA-N	329.543	4.668	50	40	EJGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(F)cc1	3112777	VHRCZUHOUHMDFC-ZVHZXABRSA-N	342.373	4.896	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1	4699050	JOGIACLWKMZSCL-HZHRSRAPSA-N	332.378	4.647	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	23724068	LCVSWIMIWBXEBD-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
N#C/C(=C\c1c(F)cccc1F)c1nc(-c2ccncc2)cs1	63412587	OGKNHMFAVXNTSI-XYOKQWHBSA-N	325.343	4.547	50	40	EJGB	
C[C@H](C(=O)Nc1nc2cccc(SC#N)c2s1)c1ccccc1	95470981	JQKBVFQNGUFETA-NSHDSACASA-N	339.445	4.612	50	40	EJGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)NCc1ccc(Cl)cc1	2632534	ISQVXSJSRYRSCD-LDADJPATSA-N	346.817	4.717	50	40	EJGB	
COC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)s1	535393	RGGRTJAKQCWDBS-RMKNXTFCSA-N	338.215	4.802	50	40	EJGB	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)Nc1nccs1	17473739	PBCPPJDIYHJFID-VQHVLOKHSA-N	345.836	4.557	50	40	EJGB	
Cc1nc2cc(NC(=O)CCCC[C@H]3CCSS3)ccc2o1	22699823	KHTJFFNKLIHJFL-ZDUSSCGKSA-N	336.482	4.789	50	40	EJGB	
O=C(c1ccc(Br)cc1F)[C@H](Cl)c1ccccc1	126994231	QNHPROIZNXFZGB-CYBMUJFWSA-N	327.580	4.751	50	40	EJGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OCc1ccc(F)cc1	4681180	HSHLARFWAVIVQH-SFQUDFHCSA-N	337.394	4.927	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	3150887	NEMYGDXYGFHJCN-KEBDBYFISA-N	335.234	4.881	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)c1ccc(C(F)(F)F)cc1	59138368	MUPHVNLRYRIHFA-KAMYIIQDSA-N	332.325	4.963	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	566014	JNGZWGVCHNEQPY-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1CC	6936615	MPQFERRHWJRYJV-NBVRZTHBSA-N	334.419	4.583	50	40	EJGB	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3C(=O)C[C@]12C	4887122	AGLKYBYGPDCWAK-ZVIOFETBSA-N	348.914	4.941	50	40	EJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)c1	408782742	IZOJITWJNUVHAL-GDNBJRDFSA-N	345.402	4.501	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1Cl	5753905	VMPOCPNVISATJX-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
CC(C)(C)C(=O)/C(C#N)=C/Nc1ccc(SC(F)(F)F)cc1	100073205	ZKFMCKJIZJZUBQ-MDZDMXLPSA-N	328.359	4.733	50	40	EJGB	
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@H]3C(=O)C[C@]12C	118929047	AGLKYBYGPDCWAK-JHGMSEHPSA-N	348.914	4.941	50	40	EJGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F	212599935	SYZDJJFVISZMPF-XFFZJAGNSA-N	335.165	4.678	50	40	EJGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	5381929	PMDZLTVXPGIKRD-DJKKODMXSA-N	341.625	4.801	50	40	EJGB	
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)NN=C1CCCC[C@@H]1C	5655940	RJXSAPUWPWUODC-SWLSCSKDSA-N	335.879	4.521	50	40	EJGB	
CC(C)c1ccc(/C=C/C(=O)c2ccc(NC(=O)CCl)cc2)cc1	13574034	OXLQCLFWFMBZIV-LFYBBSHMSA-N	341.838	4.883	50	40	EJGB	
c1ccc([PH](Cc2ccco2)(c2ccccc2)c2ccccc2)cc1	104086763	DWDXWQVJNXVVOU-UHFFFAOYSA-N	344.394	4.506	50	40	EJGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Cl	408740962	FSXVIETVQBEELP-GHXNOFRVSA-N	347.201	4.548	50	40	EJGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OCC(C)C)cc3)[nH]c2c1	409390438	DBAYUPXMRSIEDE-YBEGLDIGSA-N	347.418	4.670	50	40	EJGB	
Cc1onc(-c2ccc(Cl)cc2Cl)c1C(=O)CBr	4280830	LXRRTRGZFAPFEP-UHFFFAOYSA-N	349.011	4.534	50	40	EJGB	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	522993	PEVXRDFALRLARI-XZIFPBMPSA-N	326.783	4.602	50	40	EJGB	
CCN(CC)CCCCc1ccc(N(CCCl)CCCl)cc1	1558103	AEYQZHDNMYHJMI-UHFFFAOYSA-N	345.358	4.635	50	40	EJGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1C(C)C	33285738	JEARHIQPHGUINN-WQRHYEAKSA-N	348.446	4.981	50	40	EJGB	
CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc(O)c1ccccc21	34598621	DGPQGWRHSMFTSW-NSHDSACASA-N	333.815	4.623	50	40	EJGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)c1	59432945	NEHPYDOMAHBPBJ-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1C(C)(C)C	409232736	PECBADGAAMEQSG-SMEDBKPVSA-N	349.478	4.644	50	40	EJGB	
CCCCCCCCOc1ccc(C(=O)N/N=C/c2ccco2)cc1	3112115	QMVRLWZVERPSJZ-LTGZKZEYSA-N	342.439	4.783	50	40	EJGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(N)=O	3249877	ACNQPJDHSUQTOH-SDXDJHTJSA-N	339.398	4.549	50	40	EJGB	
N#CC(C#N)=C(Nc1ccc(F)cc1)SCc1ccc(F)cc1	4871590	BLLFIBGRUPDBRG-UHFFFAOYSA-N	327.359	4.569	50	40	EJGB	
Cc1cc(N2CCCC2)ccc1/C=C(\C#N)c1nc2ccccc2[nH]1	4675597	WTXUWFJNHOMBEJ-GHRIWEEISA-N	328.419	4.536	50	40	EJGB	
CCC/C(=N/NC(=O)c1ccc(-c2ccccc2)o1)c1ccccc1	6777852	YJLFXYRGQSBXIJ-PYCFMQQDSA-N	332.403	4.881	50	40	EJGB	
N#C/C(=C/Nc1nc2c(s1)CCCC2)c1nc2ccccc2s1	16545346	SSQBLDWDKDHRDT-KHPPLWFESA-N	338.461	4.608	50	40	EJGB	
N#C/C(=C\C=C/c1ccccc1)c1nc(O)c2cc(Cl)ccc2n1	16771575	WTLDSFPDMATNPP-JCXIYKEOSA-N	333.778	4.609	50	40	EJGB	
C(=N/CCSSCC/N=C/c1ccccc1)\c1ccccc1	18060860	SHOCZUFELCEMHI-MXWIWYRXSA-N	328.506	4.606	50	40	EJGB	
COc1cc(C)c(/C=N/NC(=O)c2ccc(Cl)cc2)cc1C(C)C	59167598	CXMORPFIRXFKAP-SRZZPIQSSA-N	344.842	4.544	50	40	EJGB	
Cc1ccccc1-n1cccc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408566972	BYTWNGUMKLJLSW-PTNGSMBKSA-N	342.377	4.865	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)c1cccc(C(F)(F)F)c1	59138366	DSMLYEBCIKCUQX-KAMYIIQDSA-N	332.325	4.963	50	40	EJGB	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(F)c(F)c1F	95476113	MPNZPOKJTOESPZ-VIFPVBQESA-N	335.416	4.757	50	40	EJGB	
O=Cc1cc(S(F)(F)(F)(F)F)cc(Br)c1O	100043580	JMJZMVWTWWYAKT-UHFFFAOYSA-N	327.068	4.625	50	40	EJGB	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1	13324323	MGZTVXXLNUOWSZ-KXOUHSRZSA-N	334.463	4.628	50	40	EJGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(N4CCCC4)cc3)[nH]c2cc1C	408847969	XKNGWDAOYMBPMK-QGOAFFKASA-N	342.446	4.844	50	40	EJGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1Cl	6428616	FQCSXHDIAJHXPX-DHZHZOJOSA-N	335.165	4.678	50	40	EJGB	
Cc1ccccc1C(=O)N/N=C/c1c(OC(C)C)ccc2ccccc12	9201292	FIIBPMRTAKOITI-OEAKJJBVSA-N	346.430	4.699	50	40	EJGB	
COc1cccc(OC)c1/C=C(\C#N)c1nc(-c2ccccc2)cs1	40486402	MTKCIKZSZMEUOE-RVDMUPIBSA-N	348.427	4.891	50	40	EJGB	
CC[C@H]1CC/C(=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)C1	71834930	NPMZLBBQKDUDHN-UJLHSTPFSA-N	347.418	4.791	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@H]1C2	107547627	YQHXIMPSJGLCGG-MFHDPRHBSA-N	325.239	4.535	50	40	EJGB	
CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1	408984131	HZMMYKORVLKOHV-ZROIWOOFSA-N	342.851	4.916	50	40	EJGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OC)cc1	408581197	HLLVIULORHKQJS-NTEUORMPSA-N	344.208	4.530	50	40	EJGB	
CC(C)(CBr)COC(=O)Nc1cccc2ccccc12	1765822	OWCUAPQUOYJSTG-UHFFFAOYSA-N	336.229	4.809	50	40	EJGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Oc2ccc(Cl)cc2)c1C	7780948	FZVHNFDNTCTXAM-LFIBNONCSA-N	342.826	4.681	50	40	EJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	9200937	JTVZZFBFCCTRKU-CIAFOILYSA-N	338.794	4.672	50	40	EJGB	
CC(C)c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1	409024352	XGXGJZQFIPQQTI-NHDPSOOVSA-N	340.810	4.974	50	40	EJGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	5129536	PBAKHXPNGGKKNZ-NTEUORMPSA-N	330.309	4.560	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	5214357	WHMSTZCEXOVPPU-FOWTUZBSSA-N	346.361	4.940	50	40	EJGB	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1ccccc1	5128536	WGBHBGQVWKLILO-CPNJWEJPSA-N	342.398	4.733	50	40	EJGB	
Cc1c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2n1C	59421124	XECXXXFXZULTHQ-OEAKJJBVSA-N	347.462	4.548	50	40	EJGB	
N#C/C(=C\c1csc(-c2ccsc2)n1)c1nc2ccccc2[nH]1	63275519	BDDXKUHJNZQTSX-KPKJPENVSA-N	334.429	4.812	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)cc(C)cc1C	566165	VEQGHSORMLUHIB-LDADJPATSA-N	334.419	4.556	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccccc2[nH]1	51102956	ALJUOQULICPSMT-VKAVYKQESA-N	328.419	4.617	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c2ccccc12	108592858	RRHAGLXEWAIXIA-LGMDPLHJSA-N	342.398	4.703	50	40	EJGB	
O=C(c1ccc(Br)c(F)c1)[C@H](Cl)c1ccccc1	127007604	LLGYLWRGUNXOGK-CYBMUJFWSA-N	327.580	4.751	50	40	EJGB	
CC(C)c1cc(/C=N/NC(=O)c2ccccc2F)cc(C(C)C)c1O	408857758	PTCMRVQUMHMLQU-SSDVNMTOSA-N	342.414	4.542	50	40	EJGB	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)cc1	5850237	RKEKSVPOTYIUJJ-JXAWBTAJSA-N	334.419	4.583	50	40	EJGB	
c1ccc([P+](c2ccccc2)(c2ccccc2)[C@@H]2CCCCO2)cc1	104237174	OBFSCPMMNIWKTP-HSZRJFAPSA-N	347.418	4.507	50	40	EJGB	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	4933677	MEOJXQCOQRQVLQ-PHUCXXSHSA-N	326.783	4.602	50	40	EJGB	
CC(C)(C)C1CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1	3908969	NNEQQXFXLFVHLQ-UHFFFAOYSA-N	338.451	4.868	50	40	EJGB	
COc1ccc2c(c1)CC[C@H]1C2=C(C#N)C(=N)C[C@@H]1c1ccccc1	4262785	FRLKPJJHNIIODF-RTBURBONSA-N	328.415	4.742	50	40	EJGB	biogenic
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1F	6209406	FZZVCYROJFOPDE-CSKARUKUSA-N	335.165	4.678	50	40	EJGB	
CC(C)c1ccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	57414111	UEJSBNWMSFROFY-QINSGFPZSA-N	339.826	4.921	50	40	EJGB	
Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)CCl)c3)nc2c1	216859072	WCXMOTRCNJARGH-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
Cc1cc2nc(-c3cc(NC(=O)CCl)ccc3Cl)oc2cc1C	216859307	MMNUPPLZVLLXCU-UHFFFAOYSA-N	349.217	4.942	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)Nc1ccccc1	20620144	NXWFJCTYAYACRB-WYMLVPIESA-N	332.334	4.631	50	40	EJGB	
O=C(CCl)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1	71973119	HXLSBSWWUAMHPX-UHFFFAOYSA-N	337.231	4.794	50	40	EJGB	
Cc1cc(N(C)CCCl)ccc1/N=N\c1ccccc1C(=O)O	104184746	FONSTHKLWINFKT-VXPUYCOJSA-N	331.803	4.784	50	40	EJGB	
CCn1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21	408568319	IYCKZJZCTWITTG-LCYFTJDESA-N	330.366	4.741	50	40	EJGB	
CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(SC)cc1	102989920	QXZYUKHIFXTXTR-VKAVYKQESA-N	330.497	4.792	50	40	EJGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2ccccc2)c2ccccc21	408814310	SMIVVTDHFQJYRM-QGOAFFKASA-N	344.414	4.577	50	40	EJGB	
O=C(CCCCCBr)c1cc(F)cc(C(F)(F)F)c1	575361011	NEYDEEWIBUGEKT-UHFFFAOYSA-N	341.142	4.983	50	40	EJGB	
BrCc1sc(-c2ccccn2)nc1-c1ccccc1	72284074	LVNSAZCKDNUPKI-UHFFFAOYSA-N	331.238	4.767	50	40	EJGB	
CCCCOc1ccc(NC(=O)NN=Cc2ccccc2Cl)cc1	245241412	DEDTXWXVQVBDJS-UHFFFAOYSA-N	345.830	4.675	50	40	EJGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1ccc(Cl)cc1Cl	408580470	PSIYCEJBDZYYIP-KPKJPENVSA-N	348.185	4.521	50	40	EJGB	
Cc1cc(-n2c(C)cc(C(=O)CCl)c2C)ccc1Br	2619143	HOPKPZKVZKDGLL-UHFFFAOYSA-N	340.648	4.587	50	40	EJGB	
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H](C(C)(C)C)[C@H](Cl)C2)cc1	5106052	OLDRDMMPTWRRMP-NUEKZKHPSA-N	344.904	4.523	50	40	EJGB	
N#C/C(=C\c1cc(Cl)ccc1Cl)c1nc(O)c2ccccc2n1	8969026	YYRCKGYNMUIIIR-YRNVUSSQSA-N	342.185	4.706	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc2ccccc2c1	13842640	VEKQBQAJKRXOAC-HYARGMPZSA-N	336.822	4.956	50	40	EJGB	
C[C@H](Br)C(F)(F)C12CC3(F)CC(F)(CC(F)(C3)C1)C2	49602631	APWJEGVDZIPXGV-JKJWBTBISA-N	347.165	4.898	50	40	EJGB	
FC(F)(F)Oc1ccc(-c2ccc(CBr)cn2)cc1	90413819	GLPCFIVFNJQAJP-UHFFFAOYSA-N	332.119	4.542	50	40	EJGB	in-vitro
Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)Cl)cc12	97054411	UVSHNZHKXOFAKG-UHFFFAOYSA-N	344.745	4.793	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408568047	RUJMQPBDBPDFSD-PTNGSMBKSA-N	334.398	4.612	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	34880088	SWDGSKQSKNFHNS-NVNXTCNLSA-N	340.810	4.517	50	40	EJGB	
CCCCCCN(CCCCCC)[P@@](=O)(N1C[C@@H]1C)N1C[C@H]1C	301054382	BAGZNOOTSMIWGJ-NUBNBDSPSA-N	343.496	4.965	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(C)[nH]c2ccccc12	408809539	HUVFOMGTQYNZSI-NTEUORMPSA-N	349.821	4.984	50	40	EJGB	
COC(=O)Cc1ccc(C(=O)CCCCCCCCCl)s1	3191786	KGPJQCKEBUYCDN-UHFFFAOYSA-N	330.877	4.616	50	40	EJGB	
O=C(CCl)Nc1ccc2nc(-c3cccc4ccccc34)oc2c1	216856575	SCIPIJHNBDYNOZ-UHFFFAOYSA-N	336.778	4.825	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1Cl)c1c[nH]c2ccc(Cl)cc12	4503150	SKJNBOJVIBAEDZ-UFFVCSGVSA-N	346.217	4.629	50	40	EJGB	
CCC/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1	5524486	ZINDSZAJVZRTFH-FCDQGJHFSA-N	342.458	4.663	50	40	EJGB	
C=CCOc1ccc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc1	32922448	JRCZKHQCPZLVBJ-WEVVVXLNSA-N	342.822	4.634	50	40	EJGB	
Cc1ccc2oc(-c3cc(NC(=O)CCl)ccc3Cl)nc2c1	216859226	PBZJUCKTWVLFGO-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1	131989	SOTVATFXCGDNFL-ZVHZXABRSA-N	345.446	4.525	50	40	EJGB	
C[C@H](/C=N/NC(=O)Cc1ccccc1)Cc1ccc(C(C)(C)C)cc1	6996260	JIWYLMCAPBGEIL-CSUZIONRSA-N	336.479	4.507	50	40	EJGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)c(C)n1C1CCCCC1	8012804	NKZWSEYGAZWEKW-LPYMAVHISA-N	341.430	4.513	50	40	EJGB	
O=C(N/N=C\c1cccc2ccccc12)c1ccccc1C(F)(F)F	408778237	RJJCUCUTLJOGHI-FMCGGJTJSA-N	342.320	4.623	50	40	EJGB	
N#CC(=C\c1cccs1)/C(O)=N/c1cc([N+](=O)[O-])ccc1Cl	4520410	NACOPDGWHOXABN-RMKNXTFCSA-N	333.756	4.505	50	40	EJGB	
CCCC1CCC(=NNC(=O)c2ccc(Br)cc2)CC1	5445272	PEALXKFOGGGKFQ-UHFFFAOYSA-N	337.261	4.525	50	40	EJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl	408773140	SUPDCUKPLSZGOM-GDNBJRDFSA-N	340.810	4.593	50	40	EJGB	
COc1cc(/C=C/C#N)ccc1OC(=O)c1ccc(Cl)cc1Cl	1787420	OLTXKYGURZJGKB-NSCUHMNNSA-N	348.185	4.758	50	40	EJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	408876285	KNXVVHLNPIOJJE-LFYBBSHMSA-N	347.201	4.548	50	40	EJGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H](Cl)C[C@@]1(Cl)C2(Cl)Cl	100355248	FCMVPUGRXPEIQX-XFOYTBOXSA-N	335.272	4.829	50	40	EJGB	
C=C[C@H](C)[C@@H]1[C@@H](C)[C@@H](Cl)C[C@H](Cl)[C@@H]1OC(=O)c1ccccc1	4976457	ZVRKAKRORRSLSH-CKKSUAKZSA-N	341.278	4.905	50	40	EJGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1NC(=O)c1ccccc1	8334396	HOEKSMZGKQYINF-KGENOOAVSA-N	341.414	4.553	50	40	EJGB	
O=C(CCCC[C@H]1CCSS1)NC12CC3CC(CC(C3)C1)C2	61468437	GYKLPQXHZZJVCP-KUNBBXKYSA-N	339.570	4.786	50	40	EJGB	biogenic
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2	101158347	YQHXIMPSJGLCGG-ICHAJPKCSA-N	325.239	4.535	50	40	EJGB	
CCCCOc1ccccc1/C=N/NC(=O)c1ccc2ccccc2c1	408886889	JRAIKILKNNLJJN-XQNSMLJCSA-N	346.430	4.783	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1cccc(Cl)c1	409230740	FYDGYQMRGYXJOI-VBKFSLOCSA-N	348.789	4.893	50	40	EJGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1cccc(F)c1	409391564	IQUWGDSWQZVCGO-PTNGSMBKSA-N	333.322	4.589	50	40	EJGB	
Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)CCl)c3)nc2c1	216859151	AHBOLDFRLQOECH-UHFFFAOYSA-N	349.217	4.942	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl	408924715	NUOICXOCHOJTHH-RVDMUPIBSA-N	340.810	4.593	50	40	EJGB	
CCCCn1c(SCCCl)nnc1-c1ccc(Cl)cc1	1581249	AAWDMIWGXIHUMZ-UHFFFAOYSA-N	330.284	4.730	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1cccc2ccccc12	6423376	PCIWJLXBHOSACH-SILNSSARSA-N	340.426	4.741	50	40	EJGB	
CCOc1ccc([C@H]2C(C#N)=C(SC)N=C3CCCC(O)=C32)cc1	104111020	KPBXCYYHVKUIHI-KRWDZBQOSA-N	340.448	4.718	50	40	EJGB	
C[C@@H](Cl)CN(Cc1cc(C(C)(C)C)ccc1O)C[C@@H](C)Cl	1724254	AAZMHLDCDWZLOL-CHWSQXEVSA-N	332.315	4.746	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC	4135400	HIOKJRVBDOFLPJ-GXDHUFHOSA-N	336.416	4.768	50	40	EJGB	
C[C@H](NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl)c1ccccc1	5515692	IREAYXYXDQMNPZ-LQELWAHVSA-N	345.229	4.778	50	40	EJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1cccc(F)c1	409394337	ZAXHLTWABBBPDK-PDGQHHTCSA-N	336.410	4.889	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(Cl)c2)c1	408745891	WFPJEZKVHNRSDX-SDQBBNPISA-N	347.201	4.553	50	40	EJGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1	3225756	VPCXUBUJCAFQKW-QGOAFFKASA-N	341.414	4.904	50	40	EJGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccccc2-n2cccc2)CC1	4863748	YCSUPEIWSHATCP-UHFFFAOYSA-N	337.467	4.799	50	40	EJGB	
CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	5214603	VALUPZLRMJTDBM-NTEUORMPSA-N	329.783	4.706	50	40	EJGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1Cl	409009364	DUGKTNYRHHFVCF-RQZLXBNYSA-N	345.830	4.673	50	40	EJGB	
O=C(CCCCCCCCCCBr)Nc1nccs1	12360682	SJHIDVFLJYCLTE-UHFFFAOYSA-N	347.322	4.987	50	40	EJGB	
Cc1cccc(-n2cccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1	408570412	USKNAMKLMOLJKL-PTNGSMBKSA-N	342.377	4.865	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)[C@H]1C[C@@H]2CC[C@@H]1C2	100062747	PCGSMNRXCOXARN-AXQAAMPOSA-N	325.239	4.535	50	40	EJGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	208363356	IFBUDSMWVFNNKB-UKTHLTGXSA-N	335.794	4.675	50	40	EJGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408890522	VAURPHLEOYLZOI-OEAKJJBVSA-N	346.430	4.639	50	40	EJGB	
N#CC(C#N)=CNc1ccc(Oc2cccc(C(F)(F)F)c2)cc1	2543404	YUBVPGSODHYCFF-UHFFFAOYSA-N	329.281	4.841	50	40	EJGB	
CC(C)CCOc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	3285573	SBQCVONQIUIFOA-FYJGNVAPSA-N	344.842	4.529	50	40	EJGB	
Cc1cc2nc(-c3cccc(NC(=O)CCl)c3C)oc2cc1C	216858661	YKYQLAPXMBDGNC-UHFFFAOYSA-N	328.799	4.597	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(O)ccc3ccccc23)c1C	71295	NKXQUDKWVGDVQX-SFQUDFHCSA-N	342.398	4.708	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)c(C)c1	408710626	APQFKAZGOFXILK-WOJGMQOQSA-N	346.430	4.563	50	40	EJGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	459573	DLMPHRUDJNBQDO-VZUCSPMQSA-N	335.146	4.671	50	40	EJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12	1705481	GTBCTZJIYGNTMM-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
O=C1[C@H](Cl)N(c2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12	5594139	JQCSTERJERGTDG-NVXWUHKLSA-N	331.202	4.517	50	40	EJGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F	566167	ORSDWGXQAWKFIN-DHZHZOJOSA-N	336.338	4.621	50	40	EJGB	
C[C@@H](Cl)CN(Cc1ccc2ccccc2c1O)C[C@@H](C)Cl	1574458	ADESJUUXBVLLJT-CHWSQXEVSA-N	326.267	4.602	50	40	EJGB	
CCCCCC/C(=N\NC(=O)c1cccc(C)c1O)c1ccccc1	17071025	ILOLYGCLVNFUMR-ZBJSNUHESA-N	338.451	4.805	50	40	EJGB	
N#CC(C#N)=C(Nc1ccc(F)cc1)SCc1cccc(F)c1	535290	GADVEFHCFCYFLT-UHFFFAOYSA-N	327.359	4.569	50	40	EJGB	
CCc1ccc(CC)c(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)c1	20195504	YUSQRWTVTKNDLF-HAVVHWLPSA-N	336.479	4.511	50	40	EJGB	
Fc1ccc(C(F)(F)F)c(Br)c1CBr	575690164	ZYCNJNMSDGKDKH-UHFFFAOYSA-N	335.920	4.502	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	52240	FUOGFOWHHBROQI-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC)cc1	3321335	KKAKAIYJZIQXQE-XDJHFCHBSA-N	348.446	4.974	50	40	EJGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	4155038	YFUQIMRKYGBLJU-MHWRWJLKSA-N	348.427	4.891	50	40	EJGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccco2)nc1-c1ccc(C)cc1	5042731	RTNFWQYZTLLCPZ-XNTDXEJSSA-N	349.415	4.734	50	40	EJGB	
O=C(COc1ccc(Cl)cc1Cl)NN=C1CCCCCCC1	5670683	DLNLPPVZRWFICP-UHFFFAOYSA-N	343.254	4.589	50	40	EJGB	
Cc1ccc(C)c([C@H](C)NC(=O)/C(C#N)=C/c2ccc(Cl)s2)c1	17071948	LBTWLYXVRHYZRV-FYQHACEVSA-N	344.867	4.803	50	40	EJGB	
COc1ccccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1Cl	215928735	ZJUNYUNOJFDJPS-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408873852	WFYRBXDHOPPJJE-VIZOYTHASA-N	340.810	4.511	50	40	EJGB	
N#C[C@@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1Cl	2319576	HOONHOLCWUQDMM-KRWDZBQOSA-N	347.245	4.676	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1O	5125541	YDZMPLSZOJWNQR-CXUHLZMHSA-N	348.427	4.897	50	40	EJGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2cc(C)ccc2Cl)cc1	216069533	AXPAFNZJNNGXGF-KGENOOAVSA-N	344.842	4.591	50	40	EJGB	
CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(C=C(C#N)C#N)o1	409195480	VLVDVTCGGBEIJW-UHFFFAOYSA-N	340.766	4.596	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)o3)nc2c1	5028019	QFPDVIBOTWIIPK-QINSGFPZSA-N	332.407	4.519	50	40	EJGB	
COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccccc1Cl	218724991	QBDKRCOXEPMRPZ-VQHVLOKHSA-N	337.202	4.706	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl	3232273	HYSOOEQEKCCYIQ-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
Cc1cccc(-n2cccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1	6079525	YFDVMFUREHEMKA-LGMDPLHJSA-N	329.359	4.758	50	40	EJGB	
CCn1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21	40570812	YUTQSYIVAQUHLT-OEAKJJBVSA-N	347.462	4.723	50	40	EJGB	
CCOC(=O)NP(=O)(Nc1ccc(C)cc1)Nc1ccc(C)cc1	104079377	NBWGSOFDDGNTBI-UHFFFAOYSA-N	347.355	4.682	50	40	EJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)c1	408877746	WUWQVZHPEMQBNN-MTJSOVHGSA-N	338.794	4.672	50	40	EJGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccco3)cc2)cc1	409234476	XBGXFHACDVRBBL-MOSHPQCFSA-N	336.416	4.503	50	40	EJGB	
O=C(N/N=C/c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1	3115014	LIGLYCGEGFZTLR-HZHRSRAPSA-N	348.833	4.622	50	40	EJGB	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)NN=C1CCCC[C@H]1C	5655021	RJXSAPUWPWUODC-DOMZBBRYSA-N	335.879	4.521	50	40	EJGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(C)c1O	33607643	MBQSRKVYJYYBKY-DHDCSXOGSA-N	328.209	4.836	50	40	EJGB	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)c1ccccn1	96843560	WZIMIBMIQIIUEI-QINSGFPZSA-N	328.400	4.522	50	40	EJGB	
C#CCOc1ccccc1/C=C(\C#N)c1ccc(Br)cc1	408579668	JIHKCYCVUQKQQD-FOWTUZBSSA-N	338.204	4.525	50	40	EJGB	
C=CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21	408848572	RQVZFRSHZCLOHS-LGMDPLHJSA-N	341.414	4.681	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(F)cc3)[nH]c2c1	50538937	OESJSZCJUVCKHH-QINSGFPZSA-N	342.377	4.865	50	40	EJGB	
O=C(Cc1cccs1)N/N=C/c1c2ccccc2cc2ccccc12	3192308	IQUVQNLZMSBAMO-HYARGMPZSA-N	344.439	4.747	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1Cl	408735300	QAPLBTREYHHKMS-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
CCCCOc1ccc(NC(=O)N/N=C/C=C/c2ccccc2)cc1	1891543	BZMLFZPLGLOZAL-IPEBZGMUSA-N	337.423	4.686	50	40	EJGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	5690039	AZLYETWUDTUBNQ-XFFZJAGNSA-N	349.217	4.685	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1	5712905	JPPKBQUMLUDTNT-RVDMUPIBSA-N	340.810	4.593	50	40	EJGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1	35394769	WTXUWFJNHOMBEJ-LGMDPLHJSA-N	328.419	4.536	50	40	EJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1	108208137	FCOJHWSRVUNFJO-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2cccc3ccccc23)C1	12404051	OQNCUEZPKYORPP-HLNJFSBGSA-N	348.446	4.623	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1Cl	4904926	MSQGQGJOIZYYST-JDOILIPESA-N	340.810	4.911	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	6209920	KGGKKJLNKOJJEY-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)CCl)c3)nc2c1	216858915	PSBYORMDBWHIDR-UHFFFAOYSA-N	328.799	4.597	50	40	EJGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@@H]1c1ccccc1Cl	105179	LTPFVDLZFHHLSK-SFHVURJKSA-N	334.806	4.505	50	40	EJGB	aggregator
ClCCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1	1722169	REKYDXHGJLZGTR-UHFFFAOYSA-N	346.261	4.960	50	40	EJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)c1	408768149	UCSMAHFXEJETLT-DHDCSXOGSA-N	340.810	4.673	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c[nH]c2ccccc12	6216008	UBJNPXDWWQWZOY-MDWZMJQESA-N	335.794	4.675	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(C)C)c(C)c1	59133323	JDQCNVCPJAUJPW-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	59473	SJTNTHWFXUBWKG-XMHGGMMESA-N	347.462	4.695	50	40	EJGB	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	2669712	BKUQJLLYJOCQIM-CVCOIXHCSA-N	329.783	4.849	50	40	EJGB	
O=C(N/N=C(\C=C\c1ccccc1)c1ccccc1)c1cccs1	12375749	ZZBFQSSJYXPQLH-OQIURNAJSA-N	332.428	4.596	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(C)C)cc1	59117623	VBMUCMJUQJOMLM-LDADJPATSA-N	334.419	4.576	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	3214656	LLFQXEZCCFPPCP-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
C[C@@H](Cl)CN(Cc1c(O)ccc2ccccc12)C[C@@H](C)Cl	1701297	JCPFUQRDIJAVEQ-CHWSQXEVSA-N	326.267	4.602	50	40	EJGB	
COc1cccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c1	44028288	STNMWIMKFGZART-XYOKQWHBSA-N	332.186	4.792	50	40	EJGB	
ClCCN(CCCl)c1ccc(/C=N\CC2CCCCC2)cc1	104070640	CKXVYBGPFDPXDH-QNGOZBTKSA-N	341.326	4.970	50	40	EJGB	
Cn1c(SCCCCl)nnc1-c1c(Cl)cccc1Cl	228980041	VHBWVFLKSUQVSB-UHFFFAOYSA-N	336.675	4.510	50	40	EJGB	
COc1cc2c(cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1)OCO2	409069937	BQXYOTLHXPAAPG-WLRTZDKTSA-N	347.292	4.507	50	40	EJGB	
N#C[C@@H](Cl)Cc1ccc(-c2ccc(C[C@H](Cl)C#N)cc2)cc1	7966369	MFFGCZPKLHIMKR-ROUUACIJSA-N	329.230	4.701	50	40	EJGB	
O=C(CCCC[C@@H]1CCSS1)NCCc1c[nH]c2ccccc12	21182569	DBRLSZABKILQLD-OAHLLOKOSA-N	348.537	4.541	50	40	EJGB	biogenic
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccccc1	409006025	HBNXAXXOVIOMOC-KQWNVCNZSA-N	346.430	4.783	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1	409159952	CUVMQFVAQVDRMA-HYARGMPZSA-N	342.870	4.720	50	40	EJGB	
Cn1c(/C(C#N)=C/c2cc(Cl)ccc2Cl)nc2ccccc21	3899782	LNZWYVUJNMNKAN-XYOKQWHBSA-N	328.202	4.944	50	40	EJGB	
C=C[C@H](C)[C@@H]1[C@H](C)[C@@H](Cl)C[C@H](Cl)[C@@H]1OC(=O)c1ccccc1	4976456	ZVRKAKRORRSLSH-AALSHETBSA-N	341.278	4.905	50	40	EJGB	
N#C/C(=C/c1ccc(Oc2ccc(Cl)cc2)cc1Cl)C(=O)O	585152324	PKQXCDUHYDOZAS-XFFZJAGNSA-N	334.158	4.777	50	40	EJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(C)n(C)c2ccccc12	308777	QDZINPMUIRHSTH-GHRIWEEISA-N	343.430	4.595	50	40	EJGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)c(C)c2)cc1	216069488	GNCVRAZIQAZBRB-KGENOOAVSA-N	344.842	4.591	50	40	EJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2c(C)cc(C)cc2C)cc1	408745662	UVMPZCUXOIIHIV-ATVHPVEESA-N	334.419	4.556	50	40	EJGB	
CCSC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1	4667770	OIJDNZGQGHUOIP-INIZCTEOSA-N	344.867	4.522	50	40	EJGB	
C=CCn1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21	33318747	GNANYKOZXLQGMR-VBKFSLOCSA-N	329.359	4.800	50	40	EJGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)cs1	33369780	PXYAALWGFFZMKG-DHDCSXOGSA-N	333.372	4.782	50	40	EJGB	
COc1cccc(C(=O)/C(C#N)=C\c2ccc3cc(OC)ccc3c2)c1	96669738	PRJBEDLOMGXUCR-ODLFYWEKSA-N	343.382	4.647	50	40	EJGB	
O=C(O)c1cc(Br)cc(S(F)(F)(F)(F)F)c1	97949981	GGDWTFSLWQRHPR-UHFFFAOYSA-N	327.068	4.805	50	40	EJGB	
COc1ccc(N(C(=O)CCl)c2c(Cl)cccc2Cl)cc1	34627120	WVMAUPMNGHOBPL-UHFFFAOYSA-N	344.625	4.906	50	40	EJGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	5341539	QAHYIAVVPUPHOX-RGVLZGJSSA-N	335.234	4.710	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)c1C	408856737	KAKFWRCVHONCOM-JXAWBTAJSA-N	341.414	4.640	50	40	EJGB	
O=C(CCl)N(CC1CCCCC1)c1cccc(C(F)(F)F)c1	199757224	IASRJHPUQYNABR-UHFFFAOYSA-N	333.781	4.858	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1C	408817207	VMFFCOQMVXEPGO-XNTDXEJSSA-N	340.810	4.511	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(Cl)cc1	409019526	JPPFKANKGPMFMA-SRZZPIQSSA-N	342.757	4.503	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cc1	1912641	BZHLDYABWDJTIA-CPNJWEJPSA-N	348.446	4.946	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2Cl)cc1Cl	408982733	FBYVYKLOPKFQRW-XFFZJAGNSA-N	349.192	4.987	50	40	EJGB	
Cc1cc(C(=O)[C@H](C)Cl)c(C)n1-c1ccc(OC(F)F)cc1	3887387	DJCARZPPCAKQEL-JTQLQIEISA-N	327.758	4.506	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1F	5880409	NVDCKXFHYILQHS-NTCAYCPXSA-N	346.361	4.533	50	40	EJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1	213932611	IWXJXHQBCKXWDE-SSZFMOIBSA-N	334.419	4.538	50	40	EJGB	
Cc1cccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	213946675	FTEPHNGZEAIDDN-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	1453774	GJRKUJOMJRJTRZ-RVDMUPIBSA-N	340.810	4.673	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	5697190	OKUZSRIUSYFWSF-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
C[C@@H]1Cc2cc(/C=C(\C#N)c3ccc(Br)cc3)ccc2O1	408710852	PVFICYZKKHFZJY-HMHNVIDESA-N	340.220	4.837	50	40	EJGB	
CCN(CC)c1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	4882031	FRFFMXMLHLSDBJ-UHFFFAOYSA-N	343.515	4.855	50	40	EJGB	
CC[C@@H](C)C(=O)[C@@H](Br)[C@H](Br)c1ccccc1	5647996	LLGPUBLPMQBGPW-JLLWLGSASA-N	348.078	4.501	50	40	EJGB	
O=C(CSCc1ccc2ccccc2c1)NN=C1CCCCC1	408727015	OGPORKGPXNNLLR-UHFFFAOYSA-N	326.465	4.509	50	40	EJGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(Cl)cc1	409117021	NFWPEOHQVZYBPX-ZXOFLVKFSA-N	346.883	4.669	50	40	EJGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cccc2ccccc12	6504705	JEDHVMRRUAHRHF-LPYMAVHISA-N	348.471	4.532	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)c(Cl)c1	9190624	NSWCHBJJEFLEJB-UFWORHAWSA-N	341.625	4.719	50	40	EJGB	
O=C(N[C@H](c1ccc(F)cc1)C(Cl)Cl)c1ccccc1Cl	5445310	MBYXTXBSUWEYIA-CYBMUJFWSA-N	346.616	4.754	50	40	EJGB	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	408735907	ZGOFNVRCAZIRJO-GHXNOFRVSA-N	347.201	4.548	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1	4785629	JDOYXEJBUPNSQL-CJLVFECKSA-N	330.387	4.633	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	23217799	GCMXDXJCUKAZJX-FMIVXFBMSA-N	347.201	4.548	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(Cl)c1	408745415	RXJKZAISMFSWBI-SDQBBNPISA-N	347.201	4.553	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cn(C)c2ccccc12	408864016	WGWXRPBMDYPABD-NTEUORMPSA-N	349.821	4.686	50	40	EJGB	
N#CC1=C(Cl)NC(Cl)=C(C#N)C1c1c(Cl)cccc1Cl	1624668	ZOXNVKSNIJFQRE-UHFFFAOYSA-N	345.016	4.628	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C)c(C)c2)cc1	1912757	IISFGOXRNSHPKQ-QGOAFFKASA-N	335.403	4.605	50	40	EJGB	
COc1ccc(Br)cc1/C=C(/C#N)c1ccccc1F	33663553	OFMBEKJDQBESIE-WQLSENKSSA-N	332.172	4.661	50	40	EJGB	
c1ccc2[nH]c(CSSCc3nc4ccccc4[nH]3)nc2c1	1797877	ZPKDHKXOHQXXEN-UHFFFAOYSA-N	326.450	4.521	50	40	EJGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl	100517897	RGXUTWOXGSXQTM-VUGZRMDPSA-N	332.856	4.707	50	40	EJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408884039	SMTYRQACRNTJFR-VIZOYTHASA-N	340.810	4.511	50	40	EJGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1O	560299	QIMOPYMLUIRYSB-VGOFMYFVSA-N	344.208	4.536	50	40	EJGB	
CCCCCCCC/C=N/NC(=O)c1ccc(Br)o1	97965347	NBKGGIMAJPZJLM-LFIBNONCSA-N	329.238	4.508	50	40	EJGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(Cl)c1	5946752	ASURYWQRLWFQJY-UHFFFAOYSA-N	326.827	4.784	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1nc2ccccc2n1C	4342258	XCJMCYHQMQGSPJ-DTQAZKPQSA-N	339.398	4.799	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(C)C)c(C)c1	32787830	OVAFGERUFOMLOZ-LDADJPATSA-N	334.419	4.636	50	40	EJGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc([N+](=O)[O-])o3)n2)cc1	33924723	TUTADMCMYYKTNY-JYRVWZFOSA-N	337.360	4.684	50	40	EJGB	
CCCCC[C@H](I)CC(F)(F)C(F)(F)F	98210390	HMBKRDXORAPLLH-ZETCQYMHSA-N	344.105	4.958	50	40	EJGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cc(C)ccc1C	408587670	GPVKMQUEWBDLSJ-HAVVHWLPSA-N	330.431	4.540	50	40	EJGB	
CCO[Si](CCCCCCCCCCC=O)(OCC)OCC	169889791	SJJMMZVIBLQHLI-UHFFFAOYSA-N	332.557	4.745	50	40	EJGB	
C=C[C@H](C)[C@@H]1[C@H](C)[C@H](Cl)C[C@H](Cl)[C@@H]1OC(=O)c1ccccc1	4976454	ZVRKAKRORRSLSH-BKBBYTFDSA-N	341.278	4.905	50	40	EJGB	
CCCOc1c(/C=C(\C#N)C(=O)c2ccccc2)cccc1OCC	7000288	UDUIYIVSROWMPH-NBVRZTHBSA-N	335.403	4.664	50	40	EJGB	
Cc1cccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)c1	33683564	PUTVGVWMLRQDOE-JMIUGGIZSA-N	342.851	4.935	50	40	EJGB	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cc1	40140011	MAFPCNWZVVEZPV-JYRVWZFOSA-N	336.778	4.620	50	40	EJGB	
CCOc1ccc([C@@H]2C(C#N)=C(SC)N=C3CCCC(O)=C32)cc1	104111016	KPBXCYYHVKUIHI-QGZVFWFLSA-N	340.448	4.718	50	40	EJGB	
N#CC1=C(N)OC2=C(CC/C2=C/c2ccccc2)[C@@H]1c1ccccc1	66228	LLJLHSCOZOCNPV-QUHSPFQSSA-N	326.399	4.626	50	40	EJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)cc1	6959757	MWFCLMRLULCYTI-QGOAFFKASA-N	334.419	4.582	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccccc1F)c1ccc([N+](=O)[O-])cc1	7093367	GPIGAWKTZGDSLB-QINSGFPZSA-N	333.322	4.589	50	40	EJGB	
N#C/C(=C/Nc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13773525	PUILYLPWWIRLGT-KAMYIIQDSA-N	348.387	4.695	50	40	EJGB	
COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	98008710	JJTPYKQOCVVWAF-NTUHNPAUSA-N	336.778	4.620	50	40	EJGB	
COc1cc(C(=O)[C@@H](Cl)c2ccccc2)ccc1Br	575362424	ZWGGHQJIYNRJCK-AWEZNQCLSA-N	339.616	4.621	50	40	EJGB	
CC(C)(C)OC(=O)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	4739447	DESOJTWMSCSYKJ-LPYMAVHISA-N	349.434	4.548	50	40	EJGB	
N#C/C(=C\c1ccccc1N1CCCCC1)c1nc2ccccc2[nH]1	5692874	KQKCYDKDWCAIDG-SAPNQHFASA-N	328.419	4.617	50	40	EJGB	
O=C(N/N=C/c1ccncc1)Nc1ccc(/N=N/c2ccccc2)cc1	18062272	WXHPMDSKRBVBFC-IZSQXYTLSA-N	344.378	4.653	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408768574	HGWUETVEYAYGOM-KPKJPENVSA-N	347.201	4.548	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)c1C	44023567	YFASVXQWFQDJQU-LDADJPATSA-N	334.419	4.636	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1C	211428833	FUGFTQLRWKRRBB-GDNBJRDFSA-N	344.336	4.868	50	40	EJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2)cc1	212120648	FLEZXLRRLMIWCG-CYVLTUHYSA-N	347.462	4.641	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2	245318983	YQHXIMPSJGLCGG-KWVMJMPASA-N	325.239	4.535	50	40	EJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1	408543484	RKUXEJLLSKNGAB-AQTBWJFISA-N	328.371	4.548	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nnc2n1CCCCC2	8518925	OLSUOTXKWVECBL-HKWRFOASSA-N	340.430	4.736	50	40	EJGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c2ccccc2n1C	59678972	QSJJFKBSZUDTAW-SDNWHVSQSA-N	349.821	4.686	50	40	EJGB	
N#C/C(=C\c1cc(Br)c(N2CCCC2)o1)c1ccccc1	408844071	IFMONKPBSXJIHQ-GXDHUFHOSA-N	343.224	4.706	50	40	EJGB	
O=C(CCl)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1	3885216	NAIOBCWYOBIMQD-HXUWFJFHSA-N	348.833	4.756	50	40	EJGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)Cc1ccc(Cl)cc1	5370134	STKDMVMYNDDTJV-AFRQCANISA-N	338.838	4.644	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1	9375021	XLYXEMDIBSUMAP-MRXNPFEDSA-N	328.481	4.647	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1cc(C)ccc1C	408586598	COYBOFWTXISNJH-HAVVHWLPSA-N	336.479	4.684	50	40	EJGB	
N#C/C(=C\c1ccc(Br)o1)Sc1nc2ccccc2[nH]1	408599261	RBYKTHSTYWLVCY-JXMROGBWSA-N	346.209	4.575	50	40	EJGB	
Cc1cc2nc(-c3ccc(C)c(NC(=O)CCl)c3)oc2cc1C	216858880	DBKCSWJRSWNBNF-UHFFFAOYSA-N	328.799	4.597	50	40	EJGB	
N#C/C(=C/c1ccc(OCC(=O)O)cc1)c1ccc(Cl)c(Cl)c1	408585150	BNVDPGXBBITNLC-QPEQYQDCSA-N	348.185	4.521	50	40	EJGB	
Cc1ccc(Sc2oc(C=C(C#N)C#N)cc2Br)cc1	408915460	VPRQILITZDVROT-UHFFFAOYSA-N	345.221	4.932	50	40	EJGB	
CC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(N1)c1ccccc1C2=O	1302997	VMJIBEQBRRMOKJ-FQEVSTJZSA-N	340.426	4.902	50	40	EJGB	
O=C(N[C@@H](c1ccccc1)C(Cl)Cl)c1ccccc1Cl	3214932	WXLUUEHJTKASJW-ZDUSSCGKSA-N	328.626	4.615	50	40	EJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408567997	HODQOJDLKJVHKE-PTNGSMBKSA-N	342.377	4.865	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1	301213	DWHMMVOQZDXFIA-GHRIWEEISA-N	328.371	4.801	50	40	EJGB	
Cc1cccc(NC(=O)[C@]23CC[C@@](C)([C@@H]2Br)C3(C)C)c1	100561995	WHTXJHNIWIEXAU-JQFCIGGWSA-N	336.273	4.523	50	40	EJGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(Cl)c1	408892307	ALHJESZZZCUFHN-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CCl)cs1	2619177	UFSPYRHPTKZYMI-UHFFFAOYSA-N	335.643	4.873	50	40	EJGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	3233988	BYOAEQKABPTZTR-DXCDOMANSA-N	337.250	4.595	50	40	EJGB	
CCCCCCSC1=C(C#N)C2(CCC(C)CC2)[C@@H](C#N)C(=O)N1	4133369	WLFMWNBXGPYKNO-HVEKOLDVSA-N	345.512	4.501	50	40	EJGB	
CCOc1c(Cl)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC	409394354	ZHFZGDCAHXEMOK-AUWJEWJLSA-N	331.774	4.951	50	40	EJGB	
N#C/C(=C\Nc1ccc2c[nH]nc2c1)c1nc(-c2ccccc2)cs1	4812850	LYUYEVBJISQBJB-XNTDXEJSSA-N	343.415	4.663	50	40	EJGB	
Cc1cc(C)c(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)c1	7488858	COIJUBWJHDEGDT-OVCLIPMQSA-N	349.459	4.591	50	40	EJGB	
Cc1ccccc1/C=C(/C#N)c1nc(-c2ccc3c(c2)OCO3)cs1	4825697	UOFHHIYVHRXIGX-PXNMLYILSA-N	346.411	4.911	50	40	EJGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	4785425	PPLCTGHLWVQMQO-YFHOEESVSA-N	336.174	4.723	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)Oc2cccc(C=C(C#N)C#N)c2)cc1	4680850	CRCKSRUSCRSNIN-UHFFFAOYSA-N	330.387	4.634	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1O	5125540	IVHIPDKCLPUBGX-OQLLNIDSSA-N	334.400	4.588	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)cc1C	20394654	PKZPUEGAISEQJN-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
Cc1ccccc1CSCC(=O)NN=C1CCC(C(C)(C)C)CC1	408863546	PDONPAYKYGTEHW-UHFFFAOYSA-N	346.540	4.937	50	40	EJGB	
COc1ccc2c(c1)OCC(/C=C(\C#N)c1nc3ccccc3s1)=C2	14169420	VFBSCHAMKGRNHX-OQLLNIDSSA-N	346.411	4.688	50	40	EJGB	
COC(=O)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	459535	JXBMFYPRXAHSOX-UBKPWBPPSA-N	347.585	4.597	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	6221676	OEWLMIIYOGIKOB-YRNVUSSQSA-N	335.165	4.678	50	40	EJGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	33317333	HMAPMIREVPFVGY-MTJSOVHGSA-N	338.794	4.672	50	40	EJGB	
COc1cc(/C=C/C#N)cc(Br)c1OCc1ccccc1	76562459	FXWKOVPOWPEQJB-VMPITWQZSA-N	344.208	4.573	50	40	EJGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(C)cc1C	5538264	JLBBUXXGRXXVIF-HAVVHWLPSA-N	330.431	4.540	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1	6209458	BWJAKCGVEKELMH-PXLXIMEGSA-N	338.410	4.577	50	40	EJGB	
N#C/C(=C/c1cccc(F)c1)C(=O)Nc1ccc(SC(F)F)cc1	6882466	LGAIUYXWFMGYQZ-WQLSENKSSA-N	348.349	4.686	50	40	EJGB	
CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	2669718	AEWQSSDCCYBQPO-UKTHLTGXSA-N	329.783	4.706	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1	6029992	HQOVZMWQLOIKDY-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12	2206715	REXMZSQADVETQQ-AWQFTUOYSA-N	346.217	4.547	50	40	EJGB	
C[C@H](Sc1ccccc1)C(=O)NN=C1CCC(C(C)(C)C)CC1	59401521	MDIDPBWWCSAWRB-MLCCFXAWSA-N	332.513	4.876	50	40	EJGB	
Cc1cc(C)c2oc(-c3cc(NC(=O)CCl)ccc3Cl)nc2c1	216859190	BWSDWCIJCVKPQH-UHFFFAOYSA-N	349.217	4.942	50	40	EJGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(N)=S	408544788	XVJLAVKZXDHNTG-UNOMPAQXSA-N	344.439	4.612	50	40	EJGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1	370028	FQJJDSYXDZRZKQ-UHFFFAOYSA-N	326.827	4.784	50	40	EJGB	
O=C(CCl)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1	3885215	NAIOBCWYOBIMQD-FQEVSTJZSA-N	348.833	4.756	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@H]1C2	105395195	PCGSMNRXCOXARN-HCXAALOLSA-N	325.239	4.535	50	40	EJGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(Cl)cc1Cl	3148212	GRAWKJSIUWDAIV-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccccc2)cc1OCC	408808165	DNNJCUOYYVWMJT-GZTJUZNOSA-N	337.806	4.815	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc2ccccc2c1	4719810	DMLVQSMVWBKPLS-HYARGMPZSA-N	336.822	4.576	50	40	EJGB	
Cc1cc(C)c(C)c(/C=N/NC(=O)CCCCc2cccs2)c1C	2727911	VQSGEUFLTORPBJ-FYJGNVAPSA-N	342.508	4.845	50	40	EJGB	
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1	13324321	MGZTVXXLNUOWSZ-QSNDQFAXSA-N	334.463	4.628	50	40	EJGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1sc2ccccc2c1Cl	101114026	RGXUTWOXGSXQTM-NKDGKYNESA-N	332.856	4.707	50	40	EJGB	
Cc1ccsc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408993304	DFUIDOYIWNAJKO-POHAHGRESA-N	337.231	4.909	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1C	11292384	HDCMGIKGPXAWCK-XNTDXEJSSA-N	340.810	4.511	50	40	EJGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3cccc(Cl)c3)oc12	216854384	JPXUQVDJDDQKLF-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
CCCCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	3658163	YFPCHZVTJYVZIR-FYJGNVAPSA-N	344.842	4.559	50	40	EJGB	
CCOc1ccc(/C=N/C2=C(C#N)[C@H]3CCCC[C@H]3S2)cc1OC	17315365	BNYMNUMUBJTVOL-IHGRXGKKSA-N	342.464	4.554	50	40	EJGB	
CCCCCC1=CCC/C1=N\NC(=O)c1ccccc1Br	5560497	WUAVNBLLGFYMGY-KNTRCKAVSA-N	349.272	4.835	50	40	EJGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)ccc1O	13739569	CZMCAPBAJJYRQC-YBEGLDIGSA-N	348.427	4.979	50	40	EJGB	
CC1(C)[C@@]2(C[C@@H](Br)c3ccccc3)CC[C@]1(C)C(=O)O2	13405054	OEJBIPVUKOLWGT-XYPHTWIQSA-N	337.257	4.635	50	40	EJGB	biogenic
CCCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	20347455	KAYGZZZIXUGFNE-KRWDZBQOSA-N	346.883	4.768	50	40	EJGB	
N#C/C(=C\c1c(F)cccc1N1CCCCC1)c1nc2ccccc2[nH]1	25387045	VGQBJDYLCWIFGP-FYWRMAATSA-N	346.409	4.756	50	40	EJGB	
CCOc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC	89267843	HIOKJRVBDOFLPJ-UVTDQMKNSA-N	336.416	4.768	50	40	EJGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	408580664	QLFCRLLEGSJFCQ-SFQUDFHCSA-N	337.806	4.815	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	5370346	DMUQWWDVROCPJM-DJKKODMXSA-N	341.625	4.801	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1C(=O)O	408578755	AOTHMAMSWUIMEP-IZZDOVSWSA-N	348.185	4.764	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1	408933506	ALOHFAKBVGAOQD-PDGQHHTCSA-N	334.419	4.638	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1cccc(F)c1	409393130	PDRIXKSTUVNBFH-QINSGFPZSA-N	333.322	4.589	50	40	EJGB	
CCCCCCCCCCCC(=O)NNC(=O)Nc1ccccc1	103000026	PQGYWZWYTXCIKI-UHFFFAOYSA-N	333.476	4.760	50	40	EJGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc2c(c1)OCO2	4155723	GDFPLDDNJGWDCE-UHFFFAOYSA-N	344.455	4.806	50	40	EJGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc2c1O[C@H](C)C2	8917396	TVSKAJGRJDYPBY-BVTUPMQUSA-N	332.428	4.992	50	40	EJGB	
CC[C@@H]1CC/C(=N\NC(=O)c2cc(-c3ccco3)nc3ccccc23)C1	71834929	NPMZLBBQKDUDHN-MGONWTETSA-N	347.418	4.791	50	40	EJGB	
CCOC(=O)/C(C#N)=C1\C=C(c2ccccc2)Sc2ccccc21	100206677	DULIKGKDHIFEHI-WUKNDPDISA-N	333.412	4.674	50	40	EJGB	
CCc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)cc1	5658369	ILRLLQLSELESFZ-PWDRBQJJSA-N	343.430	4.515	50	40	EJGB	
CCOc1ccc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc1	5906977	FPOWPFIDRGIERK-UHFFFAOYSA-N	336.435	4.529	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccccc1F	33573045	VKGAOJMLKZIUJB-PTNGSMBKSA-N	333.318	4.848	50	40	EJGB	
C[C@@H](Br)C(F)(F)C12CC3(F)CC(F)(CC(F)(C3)C1)C2	49602632	APWJEGVDZIPXGV-AAWJQDODSA-N	347.165	4.898	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccco1	408722112	DYAKYACRRTYVSM-DJKKODMXSA-N	349.173	4.610	50	40	EJGB	
CC(C)N1C(=O)C(C#N)=C(c2ccccc2)S[C@H]1c1ccccc1	1869807	KXHDZZULGULEBK-FQEVSTJZSA-N	334.444	4.604	50	40	EJGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)cc1	408584051	ZRDFWBNKNHWOBL-LFIBNONCSA-N	325.795	4.978	50	40	EJGB	
COc1cccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1	2286243	HYAIIJUNVKWJHR-NTCAYCPXSA-N	333.416	4.795	50	40	EJGB	
FC(F)(F)COc1cc(CBr)ccc1C(F)(F)F	642887042	GPMJDSIOKKYEII-UHFFFAOYSA-N	337.057	4.541	50	40	EJGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(N)=S	408545043	XYXHPFQMXNWCBZ-LDADJPATSA-N	344.439	4.612	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc(F)cc1)c1nc2ccc(F)cc2[nH]1	408569229	MLPGXGTVFGHCES-RAXLEYEMSA-N	346.340	4.696	50	40	EJGB	
CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408601946	MJBJPTWWZRJPJC-APVMCDBPSA-N	334.419	4.718	50	40	EJGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl)c1ccccc1	1450762	KIEXEEYHYMEOSN-DGGAMASNSA-N	345.229	4.778	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Cl)c(O)c(Cl)c3)[nH]c2c1	50717175	KQQPCJVGALDOEA-WZUFQYTHSA-N	344.201	4.948	50	40	EJGB	
CCc1ccc(CC(=O)N/N=C(\C)c2ccc(C(C)(C)C)cc2)cc1	409366258	ZKXJJEQPTCDTOQ-XQNSMLJCSA-N	336.479	4.629	50	40	EJGB	
COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)ccc1OC(C)C	4150133	GNJHFYUHUFEDSD-MHWRWJLKSA-N	347.418	4.731	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(C(=O)O)cc1	408544829	VLVIVSACCWLSIN-WQRHYEAKSA-N	340.338	4.581	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@@H]2CC[C@@H]1C2	101155969	YQHXIMPSJGLCGG-UBQACQKDSA-N	325.239	4.535	50	40	EJGB	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2669742	DMBCFYMGQUIACT-XYOKQWHBSA-N	348.185	4.890	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)NC1CCCCC1	4510939	SEUNMEMKWBBKEK-UDWIEESQSA-N	345.830	4.566	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1nc2ccc(F)cc2[nH]1	408569449	NSKBNBBVCSYZGJ-VBKFSLOCSA-N	346.409	4.756	50	40	EJGB	
C=CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104186483	DXDHHFCDMWOMFY-UHFFFAOYSA-N	332.427	4.679	50	40	EJGB	
CCc1ccc2oc(-c3cccc(NC(=O)CCl)c3C)nc2c1	216858620	VHYOAHIQHXOVOF-UHFFFAOYSA-N	328.799	4.543	50	40	EJGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(OC)c1OC	408548927	NNEPNGXXXSQYBF-GRSHGNNSSA-N	345.398	4.930	50	40	EJGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1	58538083	TXMVXGSSJXHCGB-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc2ccccc2c1	59197	OGLNGXNJLNCYCT-LFVJCYFKSA-N	338.410	4.686	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@H](c2ccccc2C)CC(=O)N1	9015301	VRNOTGOFWBKZQU-INIZCTEOSA-N	328.481	4.647	50	40	EJGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1	15938592	SLDPZGVYRJMDHK-UXQBZLPBSA-N	347.245	4.637	50	40	EJGB	
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C1/CCCC[C@@H]1C	28632470	RJXSAPUWPWUODC-VFHQDHLOSA-N	335.879	4.521	50	40	EJGB	
Clc1ccc(-c2noc([C@@H](Br)c3ccccc3)n2)cc1	162871	HAPNRTCFWBLGRL-ZDUSSCGKSA-N	349.615	4.874	50	40	EJGB	
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H](C(C)(C)C)[C@H](Cl)C2)cc1	1555921	OLDRDMMPTWRRMP-FVQBIDKESA-N	344.904	4.523	50	40	EJGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	3286163	ZKEQBAQVJNRIIM-JXMROGBWSA-N	337.231	4.909	50	40	EJGB	
N#C/C(=C/C=C/c1ccccc1)c1nc(O)c2cc(Cl)ccc2n1	4426917	WTLDSFPDMATNPP-UQAUATQKSA-N	333.778	4.609	50	40	EJGB	
CCCCc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	13018954	VUXJVUGJCMJION-UHFFFAOYSA-N	336.357	4.805	50	40	EJGB	
CC(C)(CCl)C(=O)c1ccc(COc2cc(F)ccc2F)cc1	575358197	MXMQDFXLECZDGF-UHFFFAOYSA-N	338.781	4.992	50	40	EJGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3)o2)cc1Cl	4814067	VJGQGBUBDUKAOL-CIAFOILYSA-N	338.794	4.672	50	40	EJGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C(C)C	13546353	GMYWIHFEONATAT-WQRHYEAKSA-N	348.446	4.981	50	40	EJGB	
COc1cc(C)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1C(C)C	33598371	HRTUSYZONGCDMP-ZDLGFXPLSA-N	335.403	4.889	50	40	EJGB	
O=[N+]([O-])c1ccc(S[C@H]2CCCCCC[C@H]2Cl)c([N+](=O)[O-])c1	1638425	ASPCBQHUIMIRPT-YPMHNXCESA-N	344.820	4.925	50	40	EJGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1c[nH]c2ccccc12	5682206	RVAVARFIEFZSFR-UHFFFAOYSA-N	331.419	4.612	50	40	EJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	5750529	BFZZAQBCJDFAAY-LDADJPATSA-N	334.419	4.673	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	68773522	OMTQIUHGTLWMQG-UHFFFAOYSA-N	336.357	4.760	50	40	EJGB	
Cl[C@@H]1CSc2nc(-c3ccccc3)c(-c3ccccc3)n2C1	325086	XDASAWQFRWASBV-HNNXBMFYSA-N	326.852	4.930	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1	408941506	WTOUVVHNOYQXDL-PTNGSMBKSA-N	340.810	4.674	50	40	EJGB	
CC(=O)N(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	3845131	PMDCMGQJFKHXCB-UHFFFAOYSA-N	347.374	4.642	50	40	EJGB	biogenic
CCCCc1ccc(C2=C(C#N)C(N)=C(C#N)C3=CCCC[C@H]32)s1	5285312	FDOSDHLVGPIMQR-OAHLLOKOSA-N	335.476	4.844	50	40	EJGB	
Cc1ccccc1-n1cccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	6969375	RPOZLEFYZSECAT-LGMDPLHJSA-N	329.359	4.758	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	58602214	HNQMNAAMBILREC-RGEXLXHISA-N	347.462	4.695	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccccc1	64266	HDKYSQXKVNGLIB-UDWIEESQSA-N	339.782	4.756	50	40	EJGB	
Cc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccccc3)n2)cc1	135910	CMMCHTGAOVPANJ-GZTJUZNOSA-N	345.427	4.664	50	40	EJGB	
O=C(c1ccc(Cl)cc1)[C@H](Cl)[C@H](Cl)C(=O)c1ccccc1	1685448	JWKFAAMBZBSWGZ-UONOGXRCSA-N	341.621	4.620	50	40	EJGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1	6563253	BPLGDYWZZDTFRW-SFQUDFHCSA-N	337.394	4.927	50	40	EJGB	
Cc1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1Cl	216856231	AZKPOXCIMCACCW-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
CCCC[C@H](I)CC(F)(F)C(F)(F)F	72265603	TWRDGEVFVONRST-LURJTMIESA-N	330.078	4.568	50	40	EJGB	
CCCCCCCCCCC[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	102901962	KHBULAVJSYDDNS-HNNXBMFYSA-N	330.476	4.809	50	40	EJGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)c1nc2ccccc2s1	9477671	CEQSFNAJBCXXDZ-YRNVUSSQSA-N	341.779	4.922	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(F)cc1	36174400	VEFMFZYDBMFLDM-SRZZPIQSSA-N	342.757	4.503	50	40	EJGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc(F)cc2Cl)cc1	218722770	MGLRNYNMQYCIIK-FPYGCLRLSA-N	325.166	4.837	50	40	EJGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)c1	408542385	IVEHFEVVZBXRHL-UYRXBGFRSA-N	342.398	4.857	50	40	EJGB	
Cc1ccc(SCCC(=O)N/N=C/c2cccc3ccccc23)cc1	409137546	XAPJXACOWLOVHZ-PXLXIMEGSA-N	348.471	4.781	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)Nc2ccc(C=C(C#N)C#N)cc2)cc1	3212611	GMXZOFNGCHPWJT-UHFFFAOYSA-N	329.403	4.667	50	40	EJGB	
O=C(CCCC[C@@H]1CCSS1)NC12CC3CC(CC(C3)C1)C2	96116149	GYKLPQXHZZJVCP-QFQXCOSMSA-N	339.570	4.786	50	40	EJGB	biogenic
O=C(Nc1ccc(N2CCCCC2)cc1)[C@@H](Cl)c1ccccc1	1393176	OCCIUYLCKUWNKU-SFHVURJKSA-N	328.843	4.596	50	40	EJGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])c1nc(-c2cccs2)cs1	4154888	KLAJTELFLFSIKY-XYOKQWHBSA-N	339.401	4.844	50	40	EJGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)c1ccc2c(c1)OCO2	48345154	DQUHEHWDQOTKCX-XGICHPGQSA-N	346.169	4.512	50	40	EJGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1cccc(Cl)c1	409107342	OWHUTZFTTNAUEI-PDGQHHTCSA-N	338.838	4.549	50	40	EJGB	
CCCCC/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccccc1	14920931	FRDPGPVSIMVSIM-XOZXLMFASA-N	334.463	4.891	50	40	EJGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1	15938588	SLDPZGVYRJMDHK-BSGQZKGNSA-N	347.245	4.637	50	40	EJGB	
N#C/C(=C\c1ccc(Sc2ccccn2)o1)c1nc2ccccc2[nH]1	408990246	KBLPMOYKUHUUTL-ACCUITESSA-N	344.399	4.766	50	40	EJGB	
COc1cc2c(cc1/C=C(\C#N)c1ccc(C(F)(F)F)cc1)OCO2	409107145	QJKQOTBUWVHFRV-AWNIVKPZSA-N	347.292	4.507	50	40	EJGB	
O=C(Nc1ccc(N2CCCCC2)cc1)[C@H](Cl)c1ccccc1	1393177	OCCIUYLCKUWNKU-GOSISDBHSA-N	328.843	4.596	50	40	EJGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc2c(s1)CCCC2	4980083	NYUSRULKXLNEJT-FMIVXFBMSA-N	345.265	4.849	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	408783101	NCXFNRQVLMCOBU-SDQBBNPISA-N	347.201	4.553	50	40	EJGB	
COc1ccc2cc(C(=O)CCCCCBr)ccc2c1	575358433	MOWMVPTUSLILCW-UHFFFAOYSA-N	335.241	4.986	50	40	EJGB	
CCOC(=O)c1c(CCl)nc2ccccc2c1-c1ccccc1	3394148	ALIAVAGSVSBXQU-UHFFFAOYSA-N	325.795	4.817	50	40	EJGB	in-vitro
CCCC[Sn](CCCC)(CCCC)CN=C=O	223069689	PSGZNNVUXAOSAR-UHFFFAOYSA-N	346.103	4.711	50	40	EJGB	
O=P(Nc1ccc(Cl)cc1)(c1ccccc1)c1ccccc1	1593127	NDXROXJUZILDJQ-UHFFFAOYSA-N	327.751	4.681	50	40	EJGB	biogenic
CC1(C)CC2=NC(S)=C(C#N)[C@@H](c3ccc(F)cc3)C2=C(O)C1	5625254	WSGQKXDHJFIQDP-OAHLLOKOSA-N	328.412	4.661	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@@H]2CC[C@@]1(C)C2(C)C	101277570	YTCWFEJWUUTLFC-ORYQWCPZSA-N	336.516	4.873	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)c(Cl)c1	4827460	QVGGZBGFVNUBJP-UFWORHAWSA-N	341.625	4.719	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	5131119	NYEMWTLMJLPDHX-NBVRZTHBSA-N	342.398	4.784	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(C)C)c1C	59133321	KNZKGLNBMVANFR-XDHOZWIPSA-N	348.446	4.884	50	40	EJGB	
C[C@H](Cl)CN(Cc1ccc2ccccc2c1O)C[C@H](C)Cl	1574459	ADESJUUXBVLLJT-STQMWFEESA-N	326.267	4.602	50	40	EJGB	
Br[C@H](c1ccccc1)[C@H](Br)c1ccccn1	1700015	KFSIDJQXMLKJRU-CHWSQXEVSA-N	341.046	4.654	50	40	EJGB	
CSc1ccc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc1	1905033	ZSZOZTFADGVIGH-PXLXIMEGSA-N	346.455	4.839	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	3247912	CKVTXKHGOPAHRT-AWZALFRUSA-N	348.446	4.650	50	40	EJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	5750010	DESWXFPGRAASFU-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
CC/C(=N\NC(=O)[C@H](C)Nc1ccc2ccccc2c1)c1ccccc1	5727605	JYWDYBQHVGHEFQ-ASLPFPAGSA-N	345.446	4.571	50	40	EJGB	
Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1	33731434	YFROZWQEUKQVHO-UYRXBGFRSA-N	347.418	4.958	50	40	EJGB	
O=C(/C=C/c1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	409245678	XLSRUFIRSKCFGX-IRMYMQKMSA-N	334.806	4.657	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	408775256	GEMXETICULQXDR-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
O=C(CCCCCBr)c1ccc(F)cc1C(F)(F)F	575361014	NQKILCMESWJDHO-UHFFFAOYSA-N	341.142	4.983	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1OC	7714426	SXTAKIPXCRGPQR-LFIBNONCSA-N	339.391	4.565	50	40	EJGB	
Cc1cc(C)cc(NNC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)c1	12816388	DIXRPBIKXSAXPO-INIZCTEOSA-N	340.467	4.512	50	40	EJGB	
C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21	15228203	UCYJOHVPZSOOHN-VKAVYKQESA-N	341.414	4.681	50	40	EJGB	
FC(F)(F)c1cc(Cn2ccc(CCl)n2)cc(C(F)(F)F)c1	685937254	DWLMNMFUZGYXGF-UHFFFAOYSA-N	342.670	4.708	50	40	EJGB	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)CNc2cccc3ccccc23)C1	100042270	MICNZKYUSYWNNC-YQMDHOPXSA-N	347.462	4.656	50	40	EJGB	
Cc1ccsc1/C=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4719796	JPXAHBGZGILTNF-OKLNLNMGSA-N	340.492	4.608	50	40	EJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(F)cc2)cc1OC	15013830	OYWINPSMMDXOPD-OQLLNIDSSA-N	341.769	4.564	50	40	EJGB	
C[C@H](Br)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	39414401	HYHKSZAIVUSVCB-JTQLQIEISA-N	341.289	4.953	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(C(F)(F)F)c2)c1	211486184	PWOAMOKVYRKGBR-ZROIWOOFSA-N	330.309	4.560	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1	408740565	LOMFCDBKVRTYBQ-HYARGMPZSA-N	337.467	4.682	50	40	EJGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(Cl)cc1	408777767	IEUJJBZBWCVPGI-GNUZOCDUSA-N	346.883	4.502	50	40	EJGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(F)c3)o2)cc1	4032023	NVGQBVBLZAFNNU-LFIBNONCSA-N	346.361	4.940	50	40	EJGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408568810	LEWGPQXSCUEXEA-WJDWOHSUSA-N	346.409	4.675	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2CC)c1	408935532	HQEJLUUTEZGOGP-AQTBWJFISA-N	334.419	4.583	50	40	EJGB	
CCCCCCCCC(=O)NNc1nc(-c2cccc(O)c2)cs1	3768021	SRDMMLJQXQHUHM-UHFFFAOYSA-N	347.484	4.709	50	40	EJGB	
CCCn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21	15009290	FFBWHIXYZMLQGV-NTCAYCPXSA-N	326.403	4.992	50	40	EJGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1cccc2ccccc12	31672172	GTBCTZJIYGNTMM-NHDPSOOVSA-N	343.213	4.911	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	59921812	PUDLIYSHWDJREI-SSDVNMTOSA-N	334.341	4.593	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2ccccn2)cc1OCc1ccccc1	5068255	KXIVFQGQUISQKI-CPNJWEJPSA-N	342.398	4.733	50	40	EJGB	
CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc21	409189973	ORXDWXAPIRJWGF-WMJYUBJYSA-N	335.451	4.578	50	40	EJGB	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2ccccc2)o1	409363308	LBWGFNURYPAHCL-SSZFMOIBSA-N	329.355	4.797	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC	15009238	CUWZMZDZWXRSES-FOWTUZBSSA-N	347.418	4.815	50	40	EJGB	
COc1cccc(C(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)c1	82068003	YXQBFZXRMUSJMW-ZROIWOOFSA-N	331.293	4.504	50	40	EJGB	
O=C(NCCBr)Nc1cccc2cc3ccccc3cc12	1722360	WTUNKSHWZYZOPD-UHFFFAOYSA-N	343.224	4.509	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	6950839	VEMRSWXLUUTJKA-XNTDXEJSSA-N	340.810	4.593	50	40	EJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc12	408744719	ZOGVMIMWNHJLRF-VKAVYKQESA-N	342.398	4.784	50	40	EJGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)c(C)n1C1CCCCC1	408739386	BIQCHOUZFRERHV-LPYMAVHISA-N	341.430	4.513	50	40	EJGB	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2669736	DQJHKESGJUXYNL-PKNBQFBNSA-N	348.185	4.890	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	13739210	NDJCAGCJDJEOTP-MHWRWJLKSA-N	348.427	4.891	50	40	EJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1)c1ccccc1	33406386	YGPNKDZUISORSK-ZENNRRHLSA-N	345.229	4.778	50	40	EJGB	
CCc1ccc(/C(C)=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)cc1	408588763	JNJAZDMQVYLOQZ-XQNSMLJCSA-N	336.479	4.629	50	40	EJGB	
COc1ccc(C(F)(F)F)cc1C(=O)[C@H](Cl)c1ccccc1	575361161	RZPSYBKGXFRHSL-CQSZACIVSA-N	328.717	4.877	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)cc1	408855720	GUJIWCCQVPUPIY-PDGQHHTCSA-N	334.419	4.576	50	40	EJGB	
O=C(N[C@H](c1ccccc1)C(Cl)Cl)c1ccccc1Cl	3214933	WXLUUEHJTKASJW-CYBMUJFWSA-N	328.626	4.615	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2c3ccccc3c(C)c3ccccc23)o1	408873553	RTGSTJIYUQJXAG-YDZHTSKRSA-N	342.398	4.967	50	40	EJGB	
Cn1c(/C(C#N)=C/c2ccc(-c3ccccc3)o2)nc2ccccc21	8845580	AMJIDUYGGIGVPU-DTQAZKPQSA-N	325.371	4.897	50	40	EJGB	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C1/CCCC[C@@H]1C	28632473	RJXSAPUWPWUODC-HVXNRGNBSA-N	335.879	4.521	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)c1C	59248299	GMRDKDVWOLKFBM-SFQUDFHCSA-N	343.430	4.649	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c4c(cccc24)CC3)c1	408752891	DCRDZNYMMPMYRU-CPNJWEJPSA-N	338.410	4.793	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)c1	408936973	LRSSCICHDOHUBI-PDGQHHTCSA-N	334.419	4.638	50	40	EJGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c1	408937821	PBSZQNLRIBKUKN-AQTBWJFISA-N	334.419	4.583	50	40	EJGB	
CCc1cc2c(c3ccc(C(=O)CBr)cc13)CCCC2	1661363	RPZCQYBKVFZDLR-UHFFFAOYSA-N	331.253	4.859	50	40	EJGB	
CCN(C(=O)C(Cl)Cl)[C@@H](Cc1ccccc1)c1ccccc1	1668845	GTQZYUHPRSOLKY-INIZCTEOSA-N	336.262	4.623	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2	4066056	AKSFBXHFNDCIHH-MTJSOVHGSA-N	330.859	4.662	50	40	EJGB	
COc1ccc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1	7000232	PPGBNGBPEMDTDO-MDWZMJQESA-N	332.186	4.792	50	40	EJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	53103129	CQVJAQYGUFWJNH-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1ccccc1Cl	59679124	NLEOUKMLCOAFBK-SQFISAMPSA-N	347.805	4.676	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)cc2)cc1C	408807957	LTECBJQQYKBVMZ-LDADJPATSA-N	334.419	4.636	50	40	EJGB	
O=C(CCCCCBr)c1c(F)c(F)c(F)c(F)c1F	575358903	XDSPHMBGRGHIFY-UHFFFAOYSA-N	345.105	4.520	50	40	EJGB	
O=C(NCCCl)N(c1ccccc1)c1cccc(C(F)(F)F)c1	1697880	BIIBQQFXPFWKAW-UHFFFAOYSA-N	342.748	4.792	50	40	EJGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccccc2F)cc1OC	6145570	LAZJDCRXZMVNHX-ZROIWOOFSA-N	341.769	4.564	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1	16489218	FNEGIQOFROCCHM-SQFISAMPSA-N	347.805	4.676	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1Cl	408774747	CSBARMOYWCSMKZ-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(C)c3ccccc23)cc1Cl	408985125	VOIDEUWGDVSENY-ZROIWOOFSA-N	349.821	4.686	50	40	EJGB	
CCCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N1CCCC1	409369086	BBXUBYMWWSDQRF-OBGWFSINSA-N	348.446	4.548	50	40	EJGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(F)cc1	4784577	AAVFCAJWTWNFOG-NHDPSOOVSA-N	342.757	4.503	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C/C=C/c3ccc(N(C)C)cc3)[nH]c2c1	9263663	WKLOCKGAURDXQF-MYTPONEHSA-N	328.419	4.558	50	40	EJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408569343	NIOBVBWMSNLQOX-OJNRTJSBSA-N	335.382	4.943	50	40	EJGB	
C=CCc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(OCC)c1O	408583902	YNKZVXHNCHBULF-LDADJPATSA-N	335.403	4.592	50	40	EJGB	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)NC1CCCC1	409195784	VZDQNBNIEWVHAY-VKAVYKQESA-N	348.471	4.804	50	40	EJGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	4964968	BYOAEQKABPTZTR-HLDXWRDOSA-N	337.250	4.595	50	40	EJGB	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(F)cc1	6505293	ZMQIUFUPZCDBPW-NTMALXAHSA-N	335.165	4.678	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl	408583825	XDEZNEYVAIZMDG-OQLLNIDSSA-N	343.810	4.820	50	40	EJGB	
C[C@H](Cl)CN(Cc1c(O)ccc2ccccc12)C[C@@H](C)Cl	1701296	JCPFUQRDIJAVEQ-BETUJISGSA-N	326.267	4.602	50	40	EJGB	
CCOc1ccc(N/C=C(\C=O)c2nc3cc(Cl)ccc3o2)cc1	5247654	VFRCDUYBEDNVNN-ZRDIBKRKSA-N	342.782	4.532	50	40	EJGB	
N#C/C(=C\c1ccc(F)cc1F)c1nc(-c2ccncc2)cs1	63412572	LBGRYYWESARHNF-NTUHNPAUSA-N	325.343	4.547	50	40	EJGB	
CCCCC(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	3178739	DZXDXQKUQKIVKW-FYJGNVAPSA-N	344.842	4.559	50	40	EJGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1C1CCCC1	4599825	WAZMQXFPNVPHPF-QGOAFFKASA-N	339.483	4.576	50	40	EJGB	
C=CCn1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21	408568254	IPJZJPAYONGDBF-UVTDQMKNSA-N	342.377	4.907	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1ccc2c(c1)OCO2	409366399	UWPVSKHYVSOPJL-MHWRWJLKSA-N	329.355	4.641	50	40	EJGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1C(C)C	81542	JEARHIQPHGUINN-WOJGMQOQSA-N	348.446	4.981	50	40	EJGB	
Cc1cc(C(=O)/C(C#N)=C/Nc2ccccc2)c(C)n1C1CCCC1	3202041	QICVNWOKBGJMHE-SAPNQHFASA-N	333.435	4.922	50	40	EJGB	
N#CSc1sc(N/N=C/c2ccccc2)nc1-c1ccccc1	4475406	WLFPDMFVIDIAIG-YBFXNURJSA-N	336.445	4.829	50	40	EJGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3c(s2)CCCC3)cc1	12524198	SLVSRFFFTANVHG-DTQAZKPQSA-N	337.492	4.932	50	40	EJGB	
Cc1occc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	228165	BKQJRAUZOKDRHA-LPYMAVHISA-N	328.371	4.658	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	6647298	XXVHGKVKZGVPIX-QINSGFPZSA-N	346.361	4.533	50	40	EJGB	
CCOc1ccc(NC(=O)/C(C#N)=C/C(C)=C/c2ccccc2)cc1	1091000	QWKJLYAZYCAMIM-KSQUNMIPSA-N	332.403	4.577	50	40	EJGB	
COc1ccc(/C=C/C(=O)Cl)cc1OCc1ccc(Cl)cc1	217705414	LKYLCWYWPGZQJH-WEVVVXLNSA-N	337.202	4.706	50	40	EJGB	
Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Cl)cc3)sc2c1	2380766	DIRLVHMWHQTTIE-LLVKDONJSA-N	330.840	4.838	50	40	EJGB	
O=C(F)c1ccccc1N(SC(F)(Cl)Cl)C(F)(F)F	2540234	XVAQRXZBVMVFJY-UHFFFAOYSA-N	340.100	4.829	50	40	EJGB	
O=C(N/N=C\c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1	33396713	QRBMEFNMYCYYHJ-HAHDFKILSA-N	348.833	4.622	50	40	EJGB	
COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1cccc2ccccc12	6441609	SLLKWHOHOVJKNQ-WJDWOHSUSA-N	330.343	4.821	50	40	EJGB	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)c1nc2ccccc2[nH]1	12627304	CNPKXHVUKQDHNO-FMIVXFBMSA-N	329.281	4.526	50	40	EJGB	
C=CC[PH](Cc1cccc(OC)c1)(c1ccccc1)c1ccccc1	104186928	NSFYRTYJDXEVFF-UHFFFAOYSA-N	348.426	4.782	50	40	EJGB	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408766880	UAZZCVNRGZNPLJ-XFFZJAGNSA-N	335.165	4.678	50	40	EJGB	
O=C(N/N=C\c1ccccc1Cl)c1cc2cc(Cl)ccc2o1	409017963	OCBGXQQCEBPHGN-OCKHKDLRSA-N	333.174	4.504	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cccc2ccccc12	20194691	LWNHRJZKUQXXPN-HAVVHWLPSA-N	330.431	4.540	50	40	EJGB	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1c[nH]c2ccccc12	60694081	NJOFJPYTRAYGDQ-NTCAYCPXSA-N	345.402	4.541	50	40	EJGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)c1ccccc1	408811932	MBIXCPDFVOXULD-LFIBNONCSA-N	338.204	4.525	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/[C@H]3CC=CCC3)sc2c1	6279312	MWZBFONMTADEDL-NJDFMEINSA-N	332.856	4.935	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCCCC1	17177995	JIWXCVSAGCDAFK-OWBHPGMISA-N	340.810	4.519	50	40	EJGB	
Cc1nc2cc(NC(=O)CCCC[C@@H]3CCSS3)ccc2o1	22699822	KHTJFFNKLIHJFL-CYBMUJFWSA-N	336.482	4.789	50	40	EJGB	
Cn1c(SCCCCl)nnc1-c1cc(Cl)cc(Cl)c1	228979676	OWDSHNRYFDDJDA-UHFFFAOYSA-N	336.675	4.510	50	40	EJGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC	408544650	WHVDXEOGEUAALC-MHWRWJLKSA-N	347.418	4.651	50	40	EJGB	
O=C1[C@@H](Cl)N(c2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12	5594143	RZQNZWGZUBUHQV-WBVHZDCISA-N	331.202	4.517	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	8970128	VSGUBDBLAPKMPY-HNNXBMFYSA-N	348.899	4.992	50	40	EJGB	
C/C(=C(/C#N)c1nc2ccccc2s1)c1cc2ccccc2oc1=O	4292644	GIVQZWYQWKNEPK-NTCAYCPXSA-N	344.395	4.857	50	40	EJGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc2c1O[C@@H](C)C2	8917397	TVSKAJGRJDYPBY-RKPNYOAGSA-N	332.428	4.992	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	8970130	VSGUBDBLAPKMPY-OAHLLOKOSA-N	348.899	4.992	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc(C(C)C)cc1	13842665	HOCSEDHIZPPBLB-KGENOOAVSA-N	328.843	4.926	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1nc2ccc(F)cc2[nH]1	408567503	OACBDZVPKZRTTK-GXDHUFHOSA-N	343.361	4.928	50	40	EJGB	
CCCCCCCCCCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	102253367	CYKYYJPJQSBBQK-XDJHFCHBSA-N	333.432	4.576	50	40	EJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1	408812228	NYPZVMHTGUCCAR-SAPNQHFASA-N	349.393	4.792	50	40	EJGB	
CC1(C)CC(=O)C(C#N)=C(Nc2ccc(Oc3ccc(N)cc3)cc2)C1	5250061	GOJMZJZSLQLFSA-UHFFFAOYSA-N	347.418	4.640	50	40	EJGB	
C[C@@H](Br)C(=O)Nc1ccc(/C=C/c2ccccc2)cc1	3156880	YIBQWQIYGFMZDL-SBDDDAINSA-N	330.225	4.579	50	40	EJGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C#N)[C@@]4(C)CC[C@@H]32)C1	3881625	HCTQIFCJBHHREQ-KKFDQILXSA-N	339.479	4.941	50	40	EJGB	biogenic
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccccc1	409074798	RSFAJSQEHIWVSU-AWNIVKPZSA-N	348.185	4.521	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1Br	560334	KFEAMPAMJBCRQU-OQLLNIDSSA-N	328.209	4.830	50	40	EJGB	
CCCCCCN(CCCCCC)P(=O)(N1C[C@@H]1C)N1C[C@@H]1C	104380453	BAGZNOOTSMIWGJ-IEUIUIALSA-N	343.496	4.965	50	40	EJGB	
C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(-c2ccccc2)cc1	4611225	RGRGALXYIFMRFU-HZHRSRAPSA-N	332.378	4.647	50	40	EJGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccc2ccccc12	486736	PAOZFORWVJLUDO-LFVJCYFKSA-N	338.410	4.686	50	40	EJGB	
O=C(N/N=C/c1sc2ccccc2c1O)c1cccc2ccccc12	501826	LOTZOHATJFGRTL-CIAFOILYSA-N	346.411	4.524	50	40	EJGB	
O=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(F)cc1	4784594	VYPMHHFGBRMRBX-NHDPSOOVSA-N	342.757	4.503	50	40	EJGB	
CCCCOc1ccc(NC(=O)N/N=C\C=C\c2ccccc2)cc1	12410768	BZMLFZPLGLOZAL-SLRCWVGKSA-N	337.423	4.686	50	40	EJGB	
Cn1c(SCCCCl)nnc1-c1ccc(Cl)c(Cl)c1	228980137	CTTCEVZTJDJYTL-UHFFFAOYSA-N	336.675	4.510	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3C)o2)o1	408978000	XOGVPGCOBVFCDQ-KEBDBYFISA-N	342.782	4.574	50	40	EJGB	
Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(C(C)C)cc1	366285	HKLUGIJOVGMTIP-YDZHTSKRSA-N	345.446	4.739	50	40	EJGB	
CCCOC(=O)c1cc(-c2ccc(C=C(C#N)C#N)o2)ccc1Cl	4503546	RZXLQFOVCBUVCJ-UHFFFAOYSA-N	340.766	4.597	50	40	EJGB	
N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2ccco2)cs1	5042203	AWQHGTDCVSFBBC-NTEUORMPSA-N	344.399	4.857	50	40	EJGB	
CC1=C2CC[C@@]3(C)C(=C2OC1=O)C(C)=C(Cl)[C@@H](Cl)[C@@H]3Cl	5706936	CFCSBRUZYMZASC-ZLDLUXBVSA-N	333.642	4.655	50	40	EJGB	
O=C(NNc1ccnc2cc(Cl)ccc12)Nc1cccc(Cl)c1	12572977	ORONQPFAYWEIFX-UHFFFAOYSA-N	347.205	4.690	50	40	EJGB	
CSc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1	33377101	OQLDESPEROWRKD-UVTDQMKNSA-N	342.851	4.916	50	40	EJGB	
O=C(Cl)/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1	85397231	YUNSUPSAWBHPEJ-RMKNXTFCSA-N	325.166	4.837	50	40	EJGB	
CS/C=C/[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102947119	MKONJTCZTQFCMS-ISLYRVAYSA-N	335.432	4.815	50	40	EJGB	
COc1ccc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	560411	VDUMLZBOPRQLQO-OQLLNIDSSA-N	328.209	4.830	50	40	EJGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1Cl	95938417	UALHWYALRQFKNG-UKWGHVSLSA-N	346.217	4.547	50	40	EJGB	
CC(C)(C)c1ccc2c(c1)P(c1ccccc1)c1ccccc1O2	102411835	RYHKXSRQKMKTGK-UHFFFAOYSA-N	332.383	4.848	50	40	EJGB	
Cc1cccc(C(=O)N/N=C\c2ccc(Sc3ccccc3)o2)c1	409090281	LYZOTUABMDLEGP-MOSHPQCFSA-N	336.416	4.503	50	40	EJGB	
O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H](Cl)c1ccccc1	3276856	RWMWPJDDMGQKHM-HNNXBMFYSA-N	346.814	4.868	50	40	EJGB	
COc1ccc(C(=O)Cl)cc1OCc1ccc(Cl)c(Cl)c1	218721420	BCSDDBZTZIQNNA-UHFFFAOYSA-N	345.609	4.960	50	40	EJGB	
CC(C)/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccccc1	14645024	NPDWPZLJUAIUHP-ZNTNEXAZSA-N	330.431	4.559	50	40	EJGB	
CCN(CC)[P+](Cl)(N(CC)CC)C(Cl)(Cl)Cl	103440898	ZKCJYGQNTCSOFK-UHFFFAOYSA-N	329.059	4.999	50	40	EJGB	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)c1	12816384	DIXRPBIKXSAXPO-MRXNPFEDSA-N	340.467	4.512	50	40	EJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	53102717	AALXPAHGZYYTSB-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H](Cl)C[C@@]1(Cl)C2(Cl)Cl	100355249	FCMVPUGRXPEIQX-QOCXUPEVSA-N	335.272	4.829	50	40	EJGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc2ccccc12	5777591	ZNOMAZKBRHIOOA-FOWTUZBSSA-N	337.382	4.867	50	40	EJGB	
O=[N+]([O-])c1ccc(SSc2ccc([N+](=O)[O-])cc2F)c(F)c1	55175320	YMOKQZYVTHUJJI-UHFFFAOYSA-N	344.320	4.581	50	40	EJGB	
CCCCCCCCC(=O)N/N=C/c1cc(Cl)cc(Cl)c1O	97965290	GFTLZNMIWLBHBW-YBFXNURJSA-N	345.270	4.900	50	40	EJGB	
CC(C)(C)OC(=O)Nc1nc2c(CBr)cccc2s1	88245179	PUWKMKJPJFODHL-UHFFFAOYSA-N	343.246	4.538	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	272190	OPDBGWWWKWPEJC-GHRIWEEISA-N	328.371	4.801	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(N4CCCCC4)cc3)nc2c1	4676057	YJXDUTYGMNBHAO-NBVRZTHBSA-N	342.446	4.926	50	40	EJGB	
CC(C)CC(CC(C)C)=NNC(=O)c1cc2ccccc2cc1O	5753896	NLCUJGHQAINACX-UHFFFAOYSA-N	326.440	4.723	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCCCC4)o3)[nH]c2c1	34771805	ZDPKSVHPYOBKTL-SSZFMOIBSA-N	346.434	4.909	50	40	EJGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1	408579219	DVGSJYHRRHQLMC-FOWTUZBSSA-N	338.204	4.525	50	40	EJGB	
CC(C)c1cc(/C=N/NC(=O)Nc2ccccc2)cc(C(C)C)c1O	408858884	RDWVLACNLYLWBK-CIAFOILYSA-N	339.439	4.795	50	40	EJGB	
C=CCn1c(C)c(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc21	409365692	RNIITUIGTHYSLB-BOPFTXTBSA-N	342.398	4.929	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(C(F)(F)F)cc3)[nH]c2c1	33656949	HSFPVGSFXGMVPV-LCYFTJDESA-N	327.309	4.954	50	40	EJGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SC)N=C2CCCC(O)=C21	103541322	WZEPKALDPRBXPW-QGZVFWFLSA-N	340.448	4.718	50	40	EJGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)C=C(C=O)C[C@H]4[C@@H]3CC[C@@H]2C1	118923519	IZJWIBVOSGOTPV-CWAYHHJTSA-N	344.495	4.696	50	40	EJGB	
N#C/C(=C/c1ccccc1Br)c1nc2ccc(F)cc2[nH]1	408566495	GXPCPAGTMGUJPO-XFFZJAGNSA-N	342.171	4.529	50	40	EJGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1O	409065100	GCWGXQSTWATRCM-LFIBNONCSA-N	346.386	4.725	50	40	EJGB	
COc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1	13371777	ZUIHJUJCFANVGR-DHDCSXOGSA-N	340.810	4.511	50	40	EJGB	
Cc1ccc(/C(C#N)=C2\C=C(Br)/C(=N/O)C=C2Cl)cc1	100134927	HIKCLHSDCTZZBA-IHFZGXTKSA-N	349.615	4.518	50	40	EJGB	
CC1(C)CC(=O)C(SSC2=C(O)CC(C)(C)CC2=O)=C(O)C1	5414917	JJTUKNJEKYRZSK-UHFFFAOYSA-N	342.482	4.685	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1	4149329	RHSHCHZWOFBUNO-LGMDPLHJSA-N	330.435	4.782	50	40	EJGB	
CN1/C(=C\C=C(/C#N)C(=O)c2cccs2)C(C)(C)c2ccccc21	7211545	RLFPZUXWTGVHLN-RZTVDGLLSA-N	334.444	4.692	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1	9334748	UBORDBSQEKLOTR-AWEZNQCLSA-N	348.899	4.992	50	40	EJGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC	408580510	CAHUYQHCILWJML-QGOAFFKASA-N	335.403	4.723	50	40	EJGB	
Cc1cc(Cl)ccc1Oc1cccc(C(=O)/C(C#N)=C/N(C)C)c1	4105053	NSPQOYOHXBZUTR-NTCAYCPXSA-N	340.810	4.593	50	40	EJGB	
C/C(Cc1ccccc1)=N\NC(=O)C(c1ccccc1)c1ccccc1	5725223	DOASJDCIIIHGNH-HKOYGPOVSA-N	342.442	4.553	50	40	EJGB	
COc1cccc(-c2csc(/C(C#N)=C\c3ccccc3OC)n2)c1	6451254	CTOHEOKDEBACAW-YBEGLDIGSA-N	348.427	4.891	50	40	EJGB	
CC(C)=CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104186480	KRXDUSGZVCOZQS-UHFFFAOYSA-N	332.427	4.679	50	40	EJGB	
CCCCCO[C@@H]1CC(F)(F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	215669823	PQEUTYKKLJXARC-IVZWLZJFSA-N	326.708	4.869	50	40	EJGB	
O=C(CCCCCBr)c1ccc(F)c(C(F)(F)F)c1	575361005	MSLQTDVFMXMHMQ-UHFFFAOYSA-N	341.142	4.983	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2cc(C)cc(C)c2)cc1	1912765	OALOXQUMEHCCDO-QGOAFFKASA-N	335.403	4.605	50	40	EJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(C)C	6959854	VNRSAWBIMMGUPR-QGOAFFKASA-N	334.419	4.582	50	40	EJGB	
COc1cc(C(=O)CCCCBr)c(Cl)cc1Cl	575361420	CVACTIVKFLZDJP-UHFFFAOYSA-N	340.044	4.750	50	40	EJGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	3616536	ZDWAMUUTPUXUIU-FMIVXFBMSA-N	347.201	4.548	50	40	EJGB	
CC(C)/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1	5481657	DVMQONYURFVLBD-CAPFRKAQSA-N	335.234	4.784	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC	4247899	JKHZPYBGISDURB-FOWTUZBSSA-N	347.418	4.815	50	40	EJGB	
CCCCCCCC(=O)N/N=C(\C)c1ccc(Br)s1	8396617	IJHJDGLHLWTNLJ-LFIBNONCSA-N	345.306	4.711	50	40	EJGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)Cc2cccc3ccccc23)C1	100013153	ICNXMIKRQIZCCC-GLEDVZQVSA-N	332.447	4.787	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	211438508	GKUUIVXUMFDVEU-ZROIWOOFSA-N	330.309	4.560	50	40	EJGB	
CCc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2Cl)s1	370026	YCVCPEWNRFBJRN-GIJQJNRQSA-N	341.263	4.771	50	40	EJGB	
O=C1[C@H](c2c[nH]c3ccccc23)N(c2cccc(Cl)c2)[C@@H]1Cl	1633487	JQCSTERJERGTDG-RDJZCZTQSA-N	331.202	4.517	50	40	EJGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	4263915	JJUXLPJJPGTJEI-GZTJUZNOSA-N	346.411	4.661	50	40	EJGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccn1	6757251	CVBXLSUZCFMYCU-CYVLTUHYSA-N	348.409	4.998	50	40	EJGB	
O=C(O)c1cc(S(F)(F)(F)(F)F)ccc1Br	169807235	YYXIIRVQJSWYAC-UHFFFAOYSA-N	327.068	4.805	50	40	EJGB	
C/C(CCc1ccccc1)=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1	409117050	NHBWCTBNMZAGAJ-GFXBCDTMSA-N	340.492	4.601	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCCCC1	272170	JIWXCVSAGCDAFK-WYMLVPIESA-N	340.810	4.519	50	40	EJGB	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	2744355	AXSGGUNMNHZWJM-UKTHLTGXSA-N	325.239	4.597	50	40	EJGB	
CC/C(C)=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	5119673	VKXNTJISZPZNSK-KGENOOAVSA-N	344.842	4.743	50	40	EJGB	
Cc1ccsc1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	33921971	JPXAHBGZGILTNF-DTLUWHCESA-N	340.492	4.608	50	40	EJGB	
CCc1ccc2oc(-c3ccc(C)c(NC(=O)CCl)c3)nc2c1	216858990	GCMWQJDJBXKBSO-UHFFFAOYSA-N	328.799	4.543	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1	5214352	GDGURQZRCNDCHD-NTCAYCPXSA-N	332.334	4.631	50	40	EJGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc2ccccc12	5362376	BJJKCQGFZOXNGV-SITPEIFSSA-N	348.471	4.612	50	40	EJGB	
O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](Cl)c1ccc(Cl)cc1	6495368	NDPYIMGZAFAJKF-CYPWDGBBSA-N	338.278	4.705	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc(Br)cc2)o1	39127348	SCDSFRIEWFJCSX-KAMYIIQDSA-N	345.240	4.952	50	40	EJGB	
CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	63412577	WUPOKNPHMKKXNO-LFIBNONCSA-N	333.416	4.668	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@]1(O)C[C@@H]2CC[C@]1(C)C2(C)C	102958376	YTCWFEJWUUTLFC-DQLDELGASA-N	336.516	4.873	50	40	EJGB	
CC(C)N(CCCl)CCOc1ccccc1Cc1ccc(F)cc1	1586353	PGOUNZQNJXSMFL-UHFFFAOYSA-N	349.877	4.745	50	40	EJGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1F	7156489	VDVLRMHXNITCMN-DHZHZOJOSA-N	335.165	4.678	50	40	EJGB	
CC(=O)Nc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	14111871	RIHHRILLOWEVIT-GZTJUZNOSA-N	345.427	4.833	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC	408581988	KOSRONDMAGCRFQ-QGOAFFKASA-N	337.419	4.947	50	40	EJGB	
Br[C@@H](c1ccccc1)[C@@H](Br)c1ccccn1	1700016	KFSIDJQXMLKJRU-STQMWFEESA-N	341.046	4.654	50	40	EJGB	
O=C(Cl)/C=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	218723518	QNUACXWWRDDBRU-FNORWQNLSA-N	325.166	4.837	50	40	EJGB	
Cc1cc(C)c(N/C=C(\C#N)C(=O)C(C)(C)C)c(Br)c1	5361463	HBGBKOTUUCWWMD-FMIVXFBMSA-N	335.245	4.501	50	40	EJGB	
CCCCCCSC1=C(C#N)[C@H](c2sccc2C)CC(=O)N1	9015345	UWFAENVTDGMHAQ-CYBMUJFWSA-N	334.510	4.709	50	40	EJGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	9200932	SZJVDWIQGQDSHI-CIAFOILYSA-N	338.794	4.672	50	40	EJGB	
COc1ccc(/N=c2\scc(CCl)n2Cc2ccccc2)cc1	12504608	CIUZMUDSHQDEPC-ZZEZOPTASA-N	344.867	4.578	50	40	EJGB	
Cc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	3616540	WARPCIPMRQJIHD-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	5214361	NQFCAVDZQWZYKL-DTQAZKPQSA-N	344.370	4.501	50	40	EJGB	
C#C/C=C\C[C@@H]1O/C(=C(/Br)CC)CC=CC[C@@H]1Cl	33913361	FMCNCJZDZVGTHG-AVKIALCASA-N	329.665	4.925	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OCC	4714801	KBEJNEQSOWTHEP-LFIBNONCSA-N	347.418	4.733	50	40	EJGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccn3)c2C)cc1	7779512	AVYDJZOBJLYKMQ-QGOAFFKASA-N	329.403	4.562	50	40	EJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	33471972	ZUYAAWQRNLOFPH-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408795926	NADVHPHRFRFVEF-XNTDXEJSSA-N	340.810	4.593	50	40	EJGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408808907	GKDUTBRIKTWWQA-DORSJAEJSA-N	349.478	4.533	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)o1	62036	ZNPCYEIDZYLBER-LPYMAVHISA-N	328.371	4.658	50	40	EJGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(C)c(C)c2C)cc1	409109874	NBCYPZDTZQGJPP-FYJGNVAPSA-N	340.492	4.553	50	40	EJGB	
O=C(O)c1cc(S(F)(F)(F)(F)F)cc(Br)c1O	1083818457	VSOAEDLOBRBHNN-UHFFFAOYSA-N	343.067	4.510	50	40	EJGB	
N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc2ccccc2[nH]1	144201	ZAAVYDRHZNHQGF-MDZDMXLPSA-N	329.190	4.846	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1c(F)cccc1Cl	215986705	WIQKBZLSHCIKML-FLIBITNWSA-N	349.192	4.987	50	40	EJGB	
CCC(C)(C)C1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1	5414371	BHRMJOBYWDXKHK-UHFFFAOYSA-N	325.456	4.880	50	40	EJGB	
O=C(N/N=C/c1cccc(Cl)c1)c1cc(C2CC2)nc2ccccc12	174561	OKEAHIXSWKOUKE-WSDLNYQXSA-N	349.821	4.530	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(CC)cc2)cc1	1912768	GSLMZRBRSBIECK-NBVRZTHBSA-N	335.403	4.550	50	40	EJGB	
N#C/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	107824532	OZNVXOMHVWMZJX-OWOJBTEDSA-N	332.172	4.704	50	40	EJGB	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(Cl)Cl)c2C#N)C1	369528	HKQZVUZRKMDMRL-MRVPVSSYSA-N	345.295	4.513	50	40	EJGB	
O=C1[C@@H](Cl)N(c2cccc(Cl)c2)[C@@H]1c1c[nH]c2ccccc12	5594147	JQCSTERJERGTDG-WBVHZDCISA-N	331.202	4.517	50	40	EJGB	
COc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c1OC	14094013	BAEBZOQMRRACMZ-LFIBNONCSA-N	348.427	4.891	50	40	EJGB	
COCCn1c(C)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1C	408549904	BGIBMPXMTKBUAH-HMAPJEAMSA-N	330.431	4.969	50	40	EJGB	
COc1ccc(C(=O)/C(C#N)=C\c2ccccc2C(F)(F)F)cc1	82067948	YDBYOONDGHMOCO-UVTDQMKNSA-N	331.293	4.504	50	40	EJGB	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1	409249517	JLBWVIYOAIXQHR-SILNSSARSA-N	346.474	4.640	50	40	EJGB	
C=CCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC	23217179	JXMXEJUYIKKFAR-RVDMUPIBSA-N	348.427	4.934	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c(OC)c1OC	408551546	NCIQOIDWOVBLQF-UYRXBGFRSA-N	345.398	4.930	50	40	EJGB	
[C-]#[N+][C@@H](c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(C)cc1	101197926	KUHJARHAHYVCGQ-OAHLLOKOSA-N	340.231	4.694	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CC[C@@H]1C2	5893604	YQHXIMPSJGLCGG-KYBUSYFWSA-N	325.239	4.535	50	40	EJGB	
N#C/C(=C/c1cc(Br)cs1)c1nc2ccc(F)cc2[nH]1	408567056	COLZPLPEMKWTCL-BAQGIRSFSA-N	348.200	4.590	50	40	EJGB	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCCCCCC2)c1	524649	VFIZJFPYDWGGKX-UHFFFAOYSA-N	330.472	4.714	50	40	EJGB	
N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1cccc(Cl)c1	4675526	ZVIZMGXLMNIUFO-FOWTUZBSSA-N	348.789	4.893	50	40	EJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccccc1Cl	408816189	REPMRSOSJHTGRG-UKTHLTGXSA-N	331.202	4.848	50	40	EJGB	
C=CCn1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c2ccccc21	580323	UWEWZESMGXCANM-QINSGFPZSA-N	345.377	4.512	50	40	EJGB	
Cc1csc(/C(C#N)=C\c2ccc(COc3ccccc3C)o2)n1	6925135	ATADOYYANMIKPZ-DHDCSXOGSA-N	336.416	4.996	50	40	EJGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(C(C)(C)C)cc1	408786095	LXEBAOABINSDIT-FYJGNVAPSA-N	328.843	4.792	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	6413222	CQAPWEQYZSYJRV-UVTDQMKNSA-N	330.309	4.560	50	40	EJGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1)c1ccccc1	35518145	IUHCZPSBBOERLR-BAACNHRGSA-N	342.398	4.731	50	40	EJGB	
CC1=C(C#N)C(c2cccc(Oc3ccccc3)c2)C(C#N)=C(C)N1	35182967	WZZHWWFMSODKRK-UHFFFAOYSA-N	327.387	4.761	50	40	EJGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1ccc(C(F)(F)F)cn1	22958380	CAGWHDHZHQZSJG-YRNVUSSQSA-N	340.251	4.766	50	40	EJGB	
Cn1c(SCCCCl)nnc1-c1ccc(Cl)cc1Cl	228978023	CYRWACBDIZKWDC-UHFFFAOYSA-N	336.675	4.510	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	143972	QTXHGQFPBWNSSF-NBVRZTHBSA-N	342.398	4.784	50	40	EJGB	
C#CCOc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OC	6441208	IKYXOZABOSXKPX-XMHGGMMESA-N	339.394	4.925	50	40	EJGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	3286696	YTLXHEOLRRKZCE-XMHGGMMESA-N	347.462	4.695	50	40	EJGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C2	100983310	RQDWKDOPCYXHQD-OTILVPNISA-N	339.266	4.925	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(C)c(C)c1	409252535	CFMKYISVJSUEOK-HAVVHWLPSA-N	336.479	4.684	50	40	EJGB	
O=C1[C@H](Cl)N(c2ccccc2Cl)[C@@H]1c1c[nH]c2ccccc12	5594140	WNMNYNDVFMOFER-NVXWUHKLSA-N	331.202	4.517	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1	33632126	BWJAKCGVEKELMH-JCMHNJIXSA-N	338.410	4.577	50	40	EJGB	
CCc1nc(NC(=O)CCCC[C@H]2CCSS2)sc1C	71961105	DZQDXYHXFFVRJZ-NSHDSACASA-N	330.544	4.667	50	40	EJGB	
O=C(Cl)c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	218727969	OVODYURHBFBAOJ-UHFFFAOYSA-N	329.566	4.592	50	40	EJGB	
COc1cc2c(cc1/C=C(\C#N)c1ccc(Cl)cc1Cl)OCO2	409073774	IKROTEGBVBLFJN-NYYWCZLTSA-N	348.185	4.795	50	40	EJGB	
CC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(N1)c1ccccc1C2=O	1302996	VMJIBEQBRRMOKJ-HXUWFJFHSA-N	340.426	4.902	50	40	EJGB	
COc1ccc2ccccc2c1C(=O)CCCCCBr	575358599	VDZBFWQFTSUNJF-UHFFFAOYSA-N	335.241	4.986	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F	6342244	SYZDJJFVISZMPF-YRNVUSSQSA-N	335.165	4.678	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	58822513	GBFFXSYDJFYQMS-NTEUORMPSA-N	328.755	4.711	50	40	EJGB	
CCOc1ccc(C(=O)O)cc1/C=C(\C#N)c1ccc(Cl)cc1	408581097	UKOSUHYSRRAKOM-XNTDXEJSSA-N	327.767	4.501	50	40	EJGB	
CC(C)(C)C(=O)/C(C#N)=C/Nc1cccc(OCc2ccccc2)c1	5249980	OTPRICFWFPBYJS-SAPNQHFASA-N	334.419	4.700	50	40	EJGB	
O=C(N/N=C(\C=C\c1ccccc1)c1ccccc1)c1ccccc1	5003210	HFXMSEOARJHWKQ-ASMFZGAFSA-N	326.399	4.534	50	40	EJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)s1	34854426	NYWLVGIUXKMOKD-XFFZJAGNSA-N	336.338	4.621	50	40	EJGB	
CCO[Si](CCCC#C[Si](CC)(CC)CC)(OCC)OCC	575182309	ZWOQDHBJQXFROO-UHFFFAOYSA-N	344.644	4.866	50	40	EJGB	
CCOc1cc(/C=C(\C#N)c2nc(C)cs2)ccc1OC(F)F	8079716	DFMVTBBVLMEPNE-WUXMJOGZSA-N	336.363	4.516	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc12	44013771	ACPPELLYJGNNIJ-NTCAYCPXSA-N	346.361	4.533	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(C)c1	408734768	JLINVADPKKBLHS-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1	2740501	JBVICGKTJFEJFN-HZHRSRAPSA-N	330.431	4.901	50	40	EJGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)cc1	59302660	PNCHISGVYWPLCK-GHRIWEEISA-N	343.430	4.595	50	40	EJGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408808898	GKDUTBRIKTWWQA-DDLUMYACSA-N	349.478	4.533	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	6971173	IKBOLHJUDBZTPY-QINSGFPZSA-N	333.322	4.589	50	40	EJGB	
N#C/C(=C/Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)cs1	100474587	CPHVYQZVVQUGFS-KAMYIIQDSA-N	348.387	4.695	50	40	EJGB	
CCOC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)o1	113835633	XMRCQNKNAOTWQU-LUAWRHEFSA-N	333.796	4.554	50	40	EJGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)Cc2cccc3ccccc23)C1	12404053	ICNXMIKRQIZCCC-QCLNCQLRSA-N	332.447	4.787	50	40	EJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cccc2ccccc12	3149760	MXCIGBOOXLPUFH-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
CC1(C)[C@]2(C)CC[C@]1(C[C@H](Br)c1ccccc1)OC2=O	100364552	OEJBIPVUKOLWGT-IAOVAPTHSA-N	337.257	4.635	50	40	EJGB	
Cc1ccsc1/C=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	307963	JPXAHBGZGILTNF-VJNOGQACSA-N	340.492	4.608	50	40	EJGB	
COc1ccc(C/C(C#N)=C/Nc2cccc(C(F)(F)F)c2)cc1	3300966	DXBSFYCEOABPIR-OWBHPGMISA-N	332.325	4.776	50	40	EJGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1	4590840	MUWGBXBQGAHFQO-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
C[C@H](/C=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1	4724564	JBKHYJPKLOHRPL-PCCNGUHBSA-N	348.490	4.993	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)c1	8055911	BNASNWIFSBDHJY-NTCAYCPXSA-N	346.361	4.940	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccccc1)c1nc2ccc(F)cc2[nH]1	408570234	SWXCSVUVGCWMDA-KAMYIIQDSA-N	328.350	4.557	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1nc2ccccc2[nH]1	4539232	GHWMETFGECMCPP-WJDWOHSUSA-N	336.354	4.759	50	40	EJGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1	5370220	RGPHXONSNVWABA-OULSZHOJSA-N	330.431	4.552	50	40	EJGB	
Cn1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21	408598773	JNSWLOZSTNRIPB-GXDHUFHOSA-N	330.416	4.711	50	40	EJGB	
CCCCOc1ccccc1/C=N/NC(=O)C1[C@H]2CCCCCC[C@H]12	4359510	FBACRZTZPVGHSM-RLCBSASNSA-N	342.483	4.532	50	40	EJGB	
N#C/C(=C\c1ccc(Cl)s1)c1nc(-c2ccncc2)cs1	96310750	ZFIBONQXPATRGL-YRNVUSSQSA-N	329.837	4.984	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(O)c2ccccc2n1	8867806	OWZLSHPLJSJBMS-NTCAYCPXSA-N	339.354	4.660	50	40	EJGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	408812619	SVCZKEWSPGNHGV-GHRIWEEISA-N	348.446	4.847	50	40	EJGB	
Cc1ccc(N2C(=O)c3ccccc3N[C@]2(C)C(Cl)Cl)c(C)c1	152603	RBFKZKFTMSTAQN-SFHVURJKSA-N	349.261	4.896	50	40	EJGB	
N#CC(C#N)=C1C=CC=CN1/C(=C/c1ccccc1)C(=O)c1ccccc1	33388473	MRKFNRSBBKCYMG-PXLXIMEGSA-N	349.393	4.597	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1cccc([N+](=O)[O-])c1	34889756	WFBOCDGVQACDMC-FOWTUZBSSA-N	330.343	4.821	50	40	EJGB	
O=C(N/N=C/c1cccnc1)Nc1ccc(/N=N\c2ccccc2)cc1	104258333	STUUPUVACZDWKN-NFEGURHZSA-N	344.378	4.653	50	40	EJGB	
N#C/C(=C/c1cc(Br)ccc1O)c1ccc(Cl)cc1	409359805	NQOWAQUFJLYIHN-GHXNOFRVSA-N	334.600	4.872	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)s1	6077281	BQLRYGQPDRWRPV-UXBLZVDNSA-N	337.231	4.909	50	40	EJGB	
Cc1ccc(N2C(=O)c3ccccc3N[C@@]2(C)C(Cl)Cl)c(C)c1	152605	RBFKZKFTMSTAQN-GOSISDBHSA-N	349.261	4.896	50	40	EJGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c1	6583504	NPIICDIBYAYSCQ-KPKJPENVSA-N	347.201	4.548	50	40	EJGB	
C#CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	8207085	MUTWIAFZHQMFJF-BKUYFWCQSA-N	339.394	4.925	50	40	EJGB	
CCCCOc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1	59445292	YFKQTWBVJHFLBP-XQNSMLJCSA-N	346.430	4.783	50	40	EJGB	
Cc1ccc2c(c1)[C@@H](Cl)[C@H](Cl)[C@@H](C)N2C(=O)c1ccccc1	2272838	MOYBLVBLCSVNJJ-CSMYWGQOSA-N	334.246	4.931	50	40	EJGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	16439505	USNPYYFMRGHNPR-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
C[C@H]1C(=O)Nc2ccc(-c3csc(/C(C#N)=C\c4ccco4)n3)cc21	105033002	WXAMJGDQASZYPS-NUBYWOLOSA-N	347.399	4.523	50	40	EJGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1OC	4175022	BAEBZOQMRRACMZ-WJDWOHSUSA-N	348.427	4.891	50	40	EJGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1	5370207	RGPHXONSNVWABA-HYYHRQAMSA-N	330.431	4.552	50	40	EJGB	
N#CC(C#N)=Cc1cn(CCOc2ccccc2Cl)c2ccccc12	348627	YOSODCRGKHDHPS-UHFFFAOYSA-N	347.805	4.804	50	40	EJGB	
N#CC(C#N)=C(/C=C/c1ccc(Br)cc1)c1ccccc1	495115	RVMNFBJEVNUTTE-DHZHZOJOSA-N	335.204	4.963	50	40	EJGB	
N#CSc1ccc(NCCOC(=O)Nc2ccccc2)cc1Cl	3210850	FTWXLLLDPXVGMR-UHFFFAOYSA-N	347.827	4.574	50	40	EJGB	
CCCCCCCCCCC[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	102901964	KHBULAVJSYDDNS-OAHLLOKOSA-N	330.476	4.809	50	40	EJGB	
O=C(CSCc1ccccc1Cl)NN=C1CCCCCCC1	408720254	WUEOBQQFUNWPDI-UHFFFAOYSA-N	338.904	4.790	50	40	EJGB	
CC(C)(CCl)C(=O)c1ccc(Br)c(C(F)(F)F)c1	575362609	JLMPXECBALBFAL-UHFFFAOYSA-N	343.570	4.916	50	40	EJGB	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Br)cc2)cc1	585139799	SWUAFWXZUYJSEF-UHFFFAOYSA-N	347.256	4.504	50	40	EJGB	
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1cccs1	349694	ZZBFQSSJYXPQLH-QCARFLBNSA-N	332.428	4.596	50	40	EJGB	
Cc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	368148	QGIBBGYIRNGOQM-LPYMAVHISA-N	328.371	4.658	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl	7210397	ZFRNGZZCHJZZLN-YRNVUSSQSA-N	349.192	4.987	50	40	EJGB	
Cc1cc(Br)c(-c2ccc(C=C(C#N)C#N)o2)cc1C	16267974	BDYSVEIJKBAPAX-UHFFFAOYSA-N	327.181	4.757	50	40	EJGB	
Cc1ccsc1/C=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	36137283	JPXAHBGZGILTNF-UQKXMBGOSA-N	340.492	4.608	50	40	EJGB	
Cn1c(/C(C#N)=C\c2ccc(C(F)(F)F)cc2)nc2ccccc21	33471253	GPRAQEYQUAZOQB-RAXLEYEMSA-N	327.309	4.656	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@@]1(O)C[C@H]2C[C@@H]1[C@H](C)C2(C)C	70665996	YTVVIHAUIVTBQY-BIZBXSGISA-N	336.516	4.729	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1	408856151	JGMHIQKCYPUPKA-WSDLNYQXSA-N	338.451	4.711	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NC1CCCC1	409189536	QECHYEMBUZBBIW-KAMYIIQDSA-N	340.810	4.566	50	40	EJGB	
CCc1cccc(CC)c1NC(=O)[C@@H](Br)c1ccccc1	162862	NZVZWMYNXZUEHV-INIZCTEOSA-N	346.268	4.886	50	40	EJGB	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C1\CCCC[C@@H]1C	15930423	RJXSAPUWPWUODC-SVYHPHICSA-N	335.879	4.521	50	40	EJGB	
CCO[Si](Cc1cccc(Oc2ccccc2)c1)(OCC)OCC	575182168	BFCSEGNASXXQNE-UHFFFAOYSA-N	346.499	4.609	50	40	EJGB	
Cc1sc(NC(=O)CCCCl)nc1-c1cccc(Cl)c1	1791046	LVIWVWGMRUEQJJ-UHFFFAOYSA-N	329.252	4.729	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1Cl	4904945	MSQGQGJOIZYYST-PIVWPSRXSA-N	340.810	4.911	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	6302844	ZZAVUMUWDQEUSW-NTCAYCPXSA-N	346.361	4.940	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1cc(Cl)ccc1Cl	20195498	QETKTWWZKCSUSM-FYJGNVAPSA-N	349.261	4.693	50	40	EJGB	
Br[C@@H]1C[C@]23CC[C@@H](C2)[C@H](Br)C[C@]32CC[C@H]1C2	101139283	IDDJGMFUPVJENF-DHRKEOQWSA-N	348.122	4.894	50	40	EJGB	
N#Cc1c(NC(=O)CCl)oc(-c2ccccc2)c1-c1ccccc1	3885304	CAMPPHMZHCCAFA-UHFFFAOYSA-N	336.778	4.663	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)cc1	59484068	SSSLHCHEEMKYIO-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1cccc([N+](=O)[O-])c1	108030301	JDYMOFKESCWQEC-WCIBSUBMSA-N	335.146	4.671	50	40	EJGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc([N+](=O)[O-])o3)n2)cc1	6589202	TUTADMCMYYKTNY-MDWZMJQESA-N	337.360	4.684	50	40	EJGB	
CC(C)(C)N=P(c1ccccc1)(c1ccccc1)c1ccccc1	95676756	PAVNXBJENBMNKP-UHFFFAOYSA-N	333.415	4.963	50	40	EJGB	
N#C/C(=C\c1ccco1)c1nc(-c2cc3ccccc3oc2=O)cs1	4006093	ZZNWAHALSJQPOQ-MDWZMJQESA-N	346.367	4.574	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)c1	5214359	RQBLGFVRMAUQKN-FOWTUZBSSA-N	346.361	4.940	50	40	EJGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	5746913	FNQVSWAZIJNPJV-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
Cc1cccc2cc(C(=O)N/N=C\c3ccc(Cl)c(Cl)c3)[nH]c12	30885211	NPZLDKJBKLJWGB-UKWGHVSLSA-N	346.217	4.547	50	40	EJGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1Cl	409009365	DUGKTNYRHHFVCF-UAAGNOOKSA-N	345.830	4.673	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1	59137638	GDGURQZRCNDCHD-QINSGFPZSA-N	332.334	4.631	50	40	EJGB	
Cc1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1	408726433	MGAWYQMMSVASJC-LPYMAVHISA-N	348.471	4.532	50	40	EJGB	
C/C(CCC(C)C)=N\NC(=O)COc1ccccc1-c1ccccc1	5504502	AHVKTUFHASIOAF-OQKWZONESA-N	338.451	4.661	50	40	EJGB	
C/C(=N\NC(=O)Nc1ccccc1)c1ccc(-c2ccccc2)cc1	12403654	HWSOEDHKAOTZIC-XQNSMLJCSA-N	329.403	4.899	50	40	EJGB	
CCN(CC)c1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1	59226986	MHNUBTSBQKEIJA-QGOAFFKASA-N	336.435	4.614	50	40	EJGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(C)c(C)c2C)cc1	409140773	SJNRTZYGNOBGMZ-RHLNUJDMSA-N	340.492	4.551	50	40	EJGB	
CCCCCC(=C/c1ccccc1)/C=N/NC(=O)c1ccccc1O	2056653	GPYUPIVWRCQHSA-MXXLVYNCSA-N	336.435	4.772	50	40	EJGB	
N#CC(=C\c1cccs1)/C(O)=N/c1ccc(Cl)cc1[N+](=O)[O-]	4387816	LUAYKGGYKFPNQZ-RMKNXTFCSA-N	333.756	4.505	50	40	EJGB	
CCC(C)(C)C1CCC(=NNC(=O)c2cc(Cl)ccc2O)CC1	5916499	NQWVFKWANNCQBL-UHFFFAOYSA-N	336.863	4.758	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1	4170204	KVOWPRSAYDRCEO-DTQAZKPQSA-N	345.402	4.578	50	40	EJGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc([N+](=O)[O-])cc1	4199349	JNXFVARPOWLDDK-UHFFFAOYSA-N	345.443	4.985	50	40	EJGB	
CC(C)(C)C1CCC(=NNC(=O)c2cc3c(s2)CCCC3)CC1	6950110	JJGFHYMXZNKGSU-UHFFFAOYSA-N	332.513	4.949	50	40	EJGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1	59473029	AYLVENLPMUUFDS-ZXOFLVKFSA-N	346.883	4.669	50	40	EJGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1sc2ccccc2c1Cl	334827	RGXUTWOXGSXQTM-HALYGLLWSA-N	332.856	4.707	50	40	EJGB	
Cc1cccc(NC(=O)[C@@]23CC[C@@](C)([C@H]2Br)C3(C)C)c1	2666647	WHTXJHNIWIEXAU-XOKHGSTOSA-N	336.273	4.523	50	40	EJGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Nc2ccccc2)c1C	28217484	HPPXQONRIGGSHQ-HYARGMPZSA-N	346.434	4.558	50	40	EJGB	
O=C(CBr)CCn1c(-c2ccccc2)cc2ccccc21	40227629	WRVYKRZJIAWKHA-UHFFFAOYSA-N	342.236	4.662	50	40	EJGB	
Cc1ccc(C(C)C)c(OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1	101492499	VNCSVDQRJVIMJR-MNDPQUGUSA-N	347.418	4.866	50	40	EJGB	
O=C(O)c1ccc(S(F)(F)(F)(F)F)cc1Br	169807237	OMLGTQVIOMAAMV-UHFFFAOYSA-N	327.068	4.805	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)c1	408745492	MTKKSDTWVRFZFD-PDGQHHTCSA-N	334.419	4.576	50	40	EJGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1	246185	OQIVMGRYVPWNRO-ZRDIBKRKSA-N	339.445	4.857	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	3188538	XJLZVSMYACYBOE-DTQAZKPQSA-N	338.382	4.550	50	40	EJGB	
C#C/C=C\C[C@@H]1O/C(=C(\Br)CC)CC=CC[C@@H]1Cl	5963456	FMCNCJZDZVGTHG-FLNIMLRSSA-N	329.665	4.925	50	40	EJGB	
COc1ccc2cc(/C(C)=N/NC(=O)c3ccc(C)cc3C)ccc2c1	6046617	YPKNVJAYDIAYOD-XQNSMLJCSA-N	346.430	4.619	50	40	EJGB	
C[C@@H](NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl)c1ccccc1	5532850	IREAYXYXDQMNPZ-HLVNSREUSA-N	345.229	4.778	50	40	EJGB	
COc1ccc(-c2cc(Nc3ccc(SC#N)cc3)nc(C)n2)cc1	15859159	IKJQVMHJIQEBDZ-UHFFFAOYSA-N	348.431	4.777	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1Cl)C12CC3CC(CC(C3)C1)C2	20159241	YLIFNOOQASAOGB-CIAFOILYSA-N	330.859	4.662	50	40	EJGB	
C[C@@H](C(=O)Nc1nc2cccc(SC#N)c2s1)c1ccccc1	95470982	JQKBVFQNGUFETA-LLVKDONJSA-N	339.445	4.612	50	40	EJGB	
N#C/C(=C\c1ccccc1OCC(=O)O)c1ccc(Cl)cc1Cl	408581110	UQTCBRGZOWKSQJ-KPKJPENVSA-N	348.185	4.521	50	40	EJGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccn3)c2C)cc1	4868404	QFQNLWMGFNCPEP-XMHGGMMESA-N	343.430	4.952	50	40	EJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2c(O)ccc3ccccc23)cc1	15223453	QQWHDDJOSRFWBX-LGMDPLHJSA-N	342.398	4.653	50	40	EJGB	
O=C(Nc1ccc(Cl)cc1)O[C@@H](CCl)COc1ccccc1	16490694	DXFSFVDJPOLCRF-HNNXBMFYSA-N	340.206	4.575	50	40	EJGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)c1	59133219	NJGVLWDYQIJFOC-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)Cc2cccc3ccccc23)C1	100013150	ICNXMIKRQIZCCC-NKWDDMGQSA-N	332.447	4.787	50	40	EJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1C	408811709	ROKOCTAGBUBGJS-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
COc1cc(C(=O)Cl)ccc1OCc1ccc(Cl)cc1Cl	8729579	HTZPTFVAOFBZGQ-UHFFFAOYSA-N	345.609	4.960	50	40	EJGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1C(C)(C)C	409232735	PECBADGAAMEQSG-FPXKJXHESA-N	349.478	4.644	50	40	EJGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408796260	OQIDLQGTCFWUHB-XNTDXEJSSA-N	340.810	4.593	50	40	EJGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	6429172	AWVHHKXLPQBOMZ-KPKJPENVSA-N	349.217	4.685	50	40	EJGB	
CCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1	15357241	IUKHEWFNECGTCM-SDXDJHTJSA-N	334.419	4.801	50	40	EJGB	
O=C(Nc1ccc(Br)cc1F)c1ccc(CCl)cc1	37343026	PSTHNXKUJWOUOV-UHFFFAOYSA-N	342.595	4.579	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@H]1C[C@H]2CC[C@@H]1C2	44790605	YQHXIMPSJGLCGG-FWIUADGUSA-N	325.239	4.535	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	209376099	WHMSTZCEXOVPPU-VBKFSLOCSA-N	346.361	4.940	50	40	EJGB	
C/C(CCc1ccccc1)=N\NC(=O)[C@H](C)Sc1ccc(C)cc1	409117055	NHBWCTBNMZAGAJ-QFGIDJEJSA-N	340.492	4.601	50	40	EJGB	
O=C(CCl)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1	152363	DCLONELCOISYNG-UHFFFAOYSA-N	345.704	4.555	50	40	EJGB	
CC(C)c1cccc(N/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1	57414108	OVYSTCFYFQPFPA-QINSGFPZSA-N	339.826	4.921	50	40	EJGB	
O=C(Nc1ccc(F)cc1Br)c1ccc(CCl)cc1	37343226	MNNWCXKTSPARKG-UHFFFAOYSA-N	342.595	4.579	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@H]2CC[C@H]1C2	107907876	YQHXIMPSJGLCGG-NMVVRNBQSA-N	325.239	4.535	50	40	EJGB	
CCCCCCCC[C@H](C)[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	2245726	ZFOIEUIJXVMYMK-GUYCJALGSA-N	344.455	4.505	50	40	EJGB	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1	2759650	WEHOPOCFUIBXRF-CPNJWEJPSA-N	332.447	4.516	50	40	EJGB	
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3)n2)cc1	6355329	FLQYGNBORBLSOS-WJDWOHSUSA-N	348.427	4.979	50	40	EJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1	20243961	UMIRDAMRBQEOAC-RCCKNPSSSA-N	340.492	4.617	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCCCC3)o2)cc1	32192936	ZMIKVXXVFUJULH-SAPNQHFASA-N	349.434	4.514	50	40	EJGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)cc1	408860245	ZEPBSKIDFBUJCL-SDXDJHTJSA-N	341.414	4.585	50	40	EJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1	6947497	ZQZHXDGXIDLYGX-VKAVYKQESA-N	348.446	4.928	50	40	EJGB	
O=C(c1ccc(OC(F)(F)F)c(F)c1)[C@H](Cl)c1ccccc1	575360626	NXESJVIAQGNHIA-CYBMUJFWSA-N	332.680	4.887	50	40	EJGB	
C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(C)cc1	20248043	MSBKNMBCEZNGNF-XSFVSMFZSA-N	346.883	4.671	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc1	59474939	HXSNXJCIZALPFR-RGEXLXHISA-N	347.462	4.695	50	40	EJGB	
CCCCOc1ccc(CN(CCCl)CCCl)cc1Cl	106993686	JDAFPWZZSNKYHR-UHFFFAOYSA-N	338.706	4.799	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc(C#N)cc1	409373192	SDRHMPMEKMAKDJ-WQRHYEAKSA-N	340.338	4.581	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc2ccccc2o1	361448	GAAZHASULQENFY-HZHRSRAPSA-N	340.382	4.864	50	40	EJGB	
N#C[C@H](c1ccccc1)N(CCCCl)C(=O)c1ccccc1Cl	2319575	HOONHOLCWUQDMM-QGZVFWFLSA-N	347.245	4.676	50	40	EJGB	
O=C(N/N=C/c1c[nH]c2c1ccc1ccccc12)c1ccc(Cl)cc1	1498373	ZILBVLDXDHENCG-FSJBWODESA-N	347.805	4.738	50	40	EJGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	4964960	BYOAEQKABPTZTR-ABFHGOLWSA-N	337.250	4.595	50	40	EJGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(OCC(C)C)cc2)c1	13371744	HFUZOZZYRAVPGY-UNOMPAQXSA-N	348.446	4.884	50	40	EJGB	
CN(C)c1ccc(/C=C(/C#N)c2cccc(Br)c2)cc1	17159563	DSEOGRHUQQIMNF-GDNBJRDFSA-N	327.225	4.579	50	40	EJGB	
CCn1c(C)c(/C=C(/C#N)c2ccc3c(c2)OCO3)c2ccccc21	409363555	MHHOOVCPLCEYLW-YBEGLDIGSA-N	330.387	4.763	50	40	EJGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	40948900	CJDOGJSIBVNOOG-RVDMUPIBSA-N	340.810	4.674	50	40	EJGB	
COc1cccc(N/C(S)=C(\C#N)c2nc3ccccc3s2)c1	100373487	JZXOYBQAQBUMRK-SSZFMOIBSA-N	339.445	4.539	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl	4966332	CWNBABHFWRZMCP-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
CC(=O)c1ccc(N/C=C(/C#N)c2nc3cc(Cl)ccc3o2)cc1	5260825	CRHBLPYMMAUPJW-RAXLEYEMSA-N	337.766	4.660	50	40	EJGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(OC)c1O	6441172	KAGDGVFPEVGTPH-YBEGLDIGSA-N	331.371	4.627	50	40	EJGB	
Clc1ccc(-c2noc([C@H](Br)c3ccccc3)n2)cc1	2581858	HAPNRTCFWBLGRL-CYBMUJFWSA-N	349.615	4.874	50	40	EJGB	
CC/C(=N\NC(=O)c1ccc(C)nc1)c1ccc(-c2ccccc2)cc1	5295166	OVLXLSUGSKSJEL-DARPEHSRSA-N	343.430	4.601	50	40	EJGB	
N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2o1	5427073	RDUPTRXJCCMOII-FNORWQNLSA-N	336.219	4.587	50	40	EJGB	
CCOc1cccc(/C=C(/C#N)c2nc(C)cs2)c1OC(F)F	96843889	WSQGWWGAOHMAAX-GHXNOFRVSA-N	336.363	4.516	50	40	EJGB	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	13123394	MEOJXQCOQRQVLQ-XEGJVCIASA-N	326.783	4.602	50	40	EJGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(F)cc1	217711430	ZPDQSCVBBZBIPY-UHFFFAOYSA-N	343.181	4.836	50	40	EJGB	
O=C(c1ccc(OC(F)(F)F)c(F)c1)[C@@H](Cl)c1ccccc1	575360770	NXESJVIAQGNHIA-ZDUSSCGKSA-N	332.680	4.887	50	40	EJGB	
CCCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OCC	4454023	CUWZMZDZWXRSES-VBKFSLOCSA-N	347.418	4.815	50	40	EJGB	
Cc1ccc(-c2nc(-c3ccccc3)nc(C(Cl)Cl)n2)cc1	101411340	DUWSVHZQELNJTC-UHFFFAOYSA-N	330.218	4.990	50	40	EJGB	
Cc1cc(C(=O)CCCCBr)ccc1Br	308807290	PFIUJZAPSVZGFI-UHFFFAOYSA-N	334.051	4.505	50	40	EJGB	
CC(C)=CCC/C(C)=C/C=N/NC(=O)c1cccc(Br)c1	2057867	AQBJNLJOGKTKQF-KMKPNOTNSA-N	349.272	4.857	50	40	EJGB	
CC(=O)O[C@H]1c2ccc(cc2)CCc2ccc(cc2)[C@H]1Br	3136904	VBFBMEDMURDRIK-MSOLQXFVSA-N	345.236	4.526	50	40	EJGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(C(C)C)cc1	4505348	OLQDNQIPPRVJCR-HZHRSRAPSA-N	346.430	4.823	50	40	EJGB	
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)c1ccsc1	44027962	WDMNNOFVVWZWNS-VCHYOVAHSA-N	346.411	4.512	50	40	EJGB	
COc1cc(C)c(/C=N/NC(=O)c2ccccc2Cl)cc1C(C)C	59167425	OZGBCEBIBAYWHR-SRZZPIQSSA-N	344.842	4.544	50	40	EJGB	
N#C/C(=C\Nc1ccccc1Br)c1nc2ccccc2o1	100525821	CYPKXPXYUZGMEF-ZHACJKMWSA-N	340.180	4.567	50	40	EJGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1cccc2ccccc12	6441138	ZNBKSSDQJVESBH-BOPFTXTBSA-N	345.398	4.930	50	40	EJGB	
Cc1ccc(C)c([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(Cl)s2)c1	17071947	LBTWLYXVRHYZRV-OZYJXZHSSA-N	344.867	4.803	50	40	EJGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1	59473028	AYLVENLPMUUFDS-GNUZOCDUSA-N	346.883	4.669	50	40	EJGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)ccc1O	408533484	SLKRBSFUEFKLJC-ZROIWOOFSA-N	344.208	4.618	50	40	EJGB	
CC(C)Oc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	144423	XHVPZVGINUEYGT-RVDMUPIBSA-N	340.810	4.673	50	40	EJGB	
C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21	563855	UCYJOHVPZSOOHN-SAPNQHFASA-N	341.414	4.681	50	40	EJGB	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	2669710	BKUQJLLYJOCQIM-GMCKNXKJSA-N	329.783	4.849	50	40	EJGB	
Cc1cc(C)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)c1	7993724	GGHDICSETUODLS-KEBDBYFISA-N	346.883	4.508	50	40	EJGB	
O=C(N/N=C/c1ccccn1)Nc1ccc(/N=N\c2ccccc2)cc1	104258325	DLYIAJYFRTWUAA-NFEGURHZSA-N	344.378	4.653	50	40	EJGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccc(-c2ccccc2)cc1	4066521	LFJMFBBYVXRBAD-HAVVHWLPSA-N	328.415	4.816	50	40	EJGB	
CC(C)=CCC/C(C)=C/C=N/NC(=O)COc1ccc(Cl)cc1C	4523868	ZXWYLZHINVPNCG-AOTDNBOZSA-N	348.874	4.822	50	40	EJGB	
Cc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	59336111	SDHMYKNJOCRJBU-YFHOEESVSA-N	337.231	4.909	50	40	EJGB	
O=C(c1c(F)cc(Br)cc1F)[C@H](Cl)c1ccccc1	126971216	JHIXVELELXTQEE-CYBMUJFWSA-N	345.570	4.890	50	40	EJGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)c1nc2ccccc2o1	409046084	IPNDPBHWMSPTDL-BJMVGYQFSA-N	331.158	4.904	50	40	EJGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	5845405	RDPAREIGJDMPHF-DHZHZOJOSA-N	349.217	4.685	50	40	EJGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)NC1CCCC1	33500333	IRGFVPUMTWUVTB-JXAWBTAJSA-N	340.426	4.959	50	40	EJGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1O	108934511	CAWMDBNSYQNWIM-XYOKQWHBSA-N	340.429	4.667	50	40	EJGB	
O=C(CCCCl)Nc1nc(-c2ccc3c(c2)CCCC3)cs1	6509616	SPHPNOOEUWXGNP-UHFFFAOYSA-N	334.872	4.646	50	40	EJGB	
C/C(=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1C[C@@H]2CC[C@@H]1C2	101155968	YQHXIMPSJGLCGG-GSUODSQVSA-N	325.239	4.535	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1C	408735639	VLCRQZNZIRRJET-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)OC(C)C)ccc21	7208359	DFBACMLWJCFJHA-LFIBNONCSA-N	332.403	4.673	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(N4CCCC4)c(F)c3)nc2c1	9263468	FLZGNAIQECPWBF-LFIBNONCSA-N	346.409	4.675	50	40	EJGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc2ccccc2c1	54883507	LHJBLALAUROSEI-SRZZPIQSSA-N	343.213	4.911	50	40	EJGB	
ClC1=C(Cl)[C@]2(Cl)[C@H](Cl)C[C@@]1(Cl)C2(Cl)Cl	100355252	FCMVPUGRXPEIQX-LOHQWYEISA-N	335.272	4.829	50	40	EJGB	
N#CCOc1ccccc1/C=C(/C#N)c1ccc(Cl)c(Cl)c1	408587755	UJBUYJFAFYHUKE-ZROIWOOFSA-N	329.186	4.960	50	40	EJGB	
O=C(NNc1cccc(Cl)c1)c1cc2ccccc2c2cccnc12	45080761	RSWLBXKVIMUAIS-UHFFFAOYSA-N	347.805	4.798	50	40	EJGB	
CC[C@H](C)C(=O)[C@@H](Br)[C@H](Br)c1ccccc1	5647997	LLGPUBLPMQBGPW-WCQGTBRESA-N	348.078	4.501	50	40	EJGB	
N#C/C(=C(\S)Nc1ccc(F)cc1)c1nc2ccccc2s1	96996700	RRXVLTVQOBOCKW-NTCAYCPXSA-N	327.409	4.669	50	40	EJGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	143546	UJOXRWIWURMNJL-LICLKQGHSA-N	349.390	4.572	50	40	EJGB	
CN(C)c1ccc(/C=C(\C#N)c2ccc(F)cc2)cc1Br	1050400	AHSPGWRQBHIHKU-NTEUORMPSA-N	345.215	4.718	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	3247915	CKVTXKHGOPAHRT-FABDANFUSA-N	348.446	4.650	50	40	EJGB	
S=C=Nc1ccc(-c2nnc(SCc3ccccc3)o2)cc1	4558112	OLVRTTZNNXZFMK-UHFFFAOYSA-N	325.418	4.763	50	40	EJGB	
N#C/C(=C\c1ccc(Br)cc1F)c1nc2ccccc2[nH]1	6210648	IXCSMYXEQTVRGG-YRNVUSSQSA-N	342.171	4.529	50	40	EJGB	
ClC[C@H]1NC[C@H](c2ccccc2Cl)c2c1[nH]c1ccccc21	25389345	KBLAGFGRWPUXJS-CZUORRHYSA-N	331.246	4.836	50	40	EJGB	
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](Cl)c1ccc(Cl)cc1	6495435	NDPYIMGZAFAJKF-CVTKOYADSA-N	338.278	4.705	50	40	EJGB	
CC/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccc(Cl)cc1	12531836	YXURONHPUXSVDV-HMMYKYKNSA-N	346.883	4.824	50	40	EJGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1nc2ccccc2[nH]1	4453830	DFNJINQZYOCYEU-BJMVGYQFSA-N	330.174	4.639	50	40	EJGB	
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H](C(C)(C)C)[C@H](Cl)C2)cc1	5106049	OLDRDMMPTWRRMP-VNQPRFMTSA-N	344.904	4.523	50	40	EJGB	
COc1cccc(N/C(S)=C(/C#N)c2nc3ccccc3s2)c1	12600465	JZXOYBQAQBUMRK-DTQAZKPQSA-N	339.445	4.539	50	40	EJGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(C#N)c1	408567756	PNRJDXVLWYAVIC-GZTJUZNOSA-N	341.326	4.791	50	40	EJGB	
COc1ccc2c(c1)CC[C@@H]1C2=C(C#N)C(=N)C[C@@H]1c1ccccc1	4262784	FRLKPJJHNIIODF-RBUKOAKNSA-N	328.415	4.742	50	40	EJGB	biogenic
COc1ccc(/C(C#N)=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	26779878	HFUXIPZGOANKBF-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
CC(C)=CC[P+](c1ccc(C)o1)(c1ccc(C)o1)c1ccc(C)o1	98174834	PGSIIWNBVKSZGX-UHFFFAOYSA-N	343.383	4.651	50	40	EJGB	
FC(F)(F)C(F)(F)[C@H](Cl)[C@H](Cl)C(F)(F)C(F)(F)F	103527235	XGMGQPWNCNDPTP-XIXRPRMCSA-N	334.968	4.596	50	40	EJGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12	408888107	WVKLQMWSLPDHAB-FSJBWODESA-N	342.320	4.623	50	40	EJGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	5928186	MOLUVBZTZTVIHC-XHGDNALNSA-N	334.463	4.546	50	40	EJGB	
O=C(CSc1cc(Cl)ccc1Cl)NN=C1CCCCCC1	5937867	QBRLOOCUOVARRO-UHFFFAOYSA-N	345.295	4.912	50	40	EJGB	
O=C(Cc1cccc2ccccc12)NNc1ccccc1C(F)(F)F	12755996	UPYBGATWOUTFJG-UHFFFAOYSA-N	344.336	4.544	50	40	EJGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)c1	207823377	FTHRIQUSRPRPSL-WQLSENKSSA-N	347.201	4.548	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccco1	8043684	OJZDDASFFWRLIP-DJKKODMXSA-N	349.173	4.610	50	40	EJGB	
CCOc1ccc(/N=C(/CCl)Nc2ccc(OCC)cc2)cc1	12504651	HUIGMZIAORXHGI-UHFFFAOYSA-N	332.831	4.865	50	40	EJGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C	445917	DAFBEGBLHWXPTF-SDNWHVSQSA-N	349.821	4.686	50	40	EJGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc2ccccc2n1	20926489	FEQKZCLRAVASKA-UHFFFAOYSA-N	343.430	4.678	50	40	EJGB	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)c1cc2ccccc2o1	61110315	OTSBECFOSSLSDE-FOWTUZBSSA-N	346.386	4.806	50	40	EJGB	
C=C1C[C@@H](CO[Si](C)(C)C(C)(C)C)N(C(=O)OC(C)(C)C)C1	196239669	WLPIYVBTSYGOSM-AWEZNQCLSA-N	327.541	4.574	50	40	EJGB	
CCCCCCCC[C@@H](C)[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	2245723	ZFOIEUIJXVMYMK-CXAGYDPISA-N	344.455	4.505	50	40	EJGB	
CC(=O)N/N=C1/CC[C@@H]2[C@H]3CC[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@]12C	250760932	SFYPSVCTPUMMMY-BANQSGPGSA-N	330.516	4.911	50	40	EJGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)c1	408746049	QKLWGNUCVRFPRL-LGMDPLHJSA-N	348.446	4.928	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)cc1	59377441	PLAQQTBIPVKKOK-XQNSMLJCSA-N	343.430	4.527	50	40	EJGB	
N#C/C(=C\c1ccc(O)c(Cl)c1)c1nc(-c2ccncc2)cs1	96313710	ZCAUZMDNMYSNFE-NTUHNPAUSA-N	339.807	4.628	50	40	EJGB	
Br[C@@H]1C[C@@]23CC[C@H](C2)[C@H](Br)C[C@]32CC[C@H]1C2	104292682	IDDJGMFUPVJENF-KLVXDSBYSA-N	348.122	4.894	50	40	EJGB	
CN(C)c1ccc(/C=C(/C#N)c2ccccc2)cc1Br	409365283	QLNXPXLMOBFCQZ-GDNBJRDFSA-N	327.225	4.579	50	40	EJGB	
O=C(c1cc(Br)ccc1F)[C@@H](Cl)c1ccccc1	127042932	SHVJYGHBKKJJIY-ZDUSSCGKSA-N	327.580	4.751	50	40	EJGB	
CCOC(=N)COc1ccccc1/C=C(/C#N)c1ccc(Cl)cc1	28297223	CCBGIWWTIGVQPV-JTKJEDPUSA-N	340.810	4.797	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(C2CCCCC2)cc1	16045066	AKOIOXPWMCPWQC-PXLXIMEGSA-N	336.435	4.594	50	40	EJGB	
CC(=O)c1c(C)[nH]c(-c2csc(/C(C#N)=C\c3ccco3)n2)c1C	96794863	WHIRTPJBSYABPY-QPEQYQDCSA-N	337.404	4.615	50	40	EJGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1sc2ccccc2c1Cl	101114028	RGXUTWOXGSXQTM-TYRFCYQRSA-N	332.856	4.707	50	40	EJGB	
O=C(CCl)N(CC1CCCCC1)c1cccc2ccc(O)cc12	199757157	QORGFCIHKJQBET-UHFFFAOYSA-N	331.843	4.698	50	40	EJGB	
O=C(CCCCl)Nc1ncc(Cc2cccc3ccccc23)s1	4510742	RWRRHSKUGIWBDC-UHFFFAOYSA-N	344.867	4.845	50	40	EJGB	
N#C/C(=C(/O)COc1cccc2ccccc12)c1nc2ccccc2[nH]1	101935071	IBIRKUXXJJPVRF-MNDPQUGUSA-N	341.370	4.588	50	40	EJGB	aggregator
CN1C=CC=C/C1=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	102811775	IDDBWPRZGFVIFA-JQIJEIRASA-N	325.824	4.713	50	40	EJGB	
CC(=O)N/N=C1\CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	118916127	SFYPSVCTPUMMMY-IYRWVADLSA-N	330.516	4.911	50	40	EJGB	
C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(C)cc1	174569	WKAYXKOXCBZMBL-BUVRLJJBSA-N	343.430	4.575	50	40	EJGB	
CC(C)(C)c1ccc(Oc2ccc(C3=C(C#N)CCC(=O)N3)cc2)cc1	1403779	YMNAMFYXOPJVIM-UHFFFAOYSA-N	346.430	4.921	50	40	EJGB	
Cn1c(/C(C#N)=C/c2c(Cl)cccc2Cl)nc2ccccc21	3899783	ISZRHIJCWWVYGQ-PKNBQFBNSA-N	328.202	4.944	50	40	EJGB	
O=C(N/N=C\c1cccc2ccccc12)c1ccc(Cl)cc1Cl	33686726	GRAWKJSIUWDAIV-NHDPSOOVSA-N	343.213	4.911	50	40	EJGB	
[C-]#[N+][C@H](c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C)cc1	101659958	VUMDJYQJOYZURM-HNNXBMFYSA-N	340.231	4.694	50	40	EJGB	
CCCCCN1C=C/C(=C\C=C(/C#N)C(=O)OCC)c2ccccc21	5393199	VLJOCEIUHOERLV-JYFOCSDGSA-N	336.435	4.607	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(C)c1	408795500	LJMONZNAOPYHGP-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	5632522	MCIIROKISPRXLV-OEAKJJBVSA-N	346.430	4.607	50	40	EJGB	
N#C/C(=C(/S)Nc1ccc(F)cc1)c1nc2ccccc2s1	12504593	RRXVLTVQOBOCKW-QINSGFPZSA-N	327.409	4.669	50	40	EJGB	
Cc1c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc2n1C	59678655	PIVNBNJWSNWWLG-GXDHUFHOSA-N	349.821	4.686	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C(C)(C)C)cc2)cc1	2888706	UJLRANWQDHPSCS-QGOAFFKASA-N	349.430	4.643	50	40	EJGB	
O=C1[C@H](Cl)N(c2ccccc2Cl)[C@H]1c1c[nH]c2ccccc12	1633486	WNMNYNDVFMOFER-DOTOQJQBSA-N	331.202	4.517	50	40	EJGB	
N#C/C(=C(/S)Nc1ccc(F)cc1F)c1nc2ccccc2s1	12504595	OMOFPUPHTVCBEI-GDNBJRDFSA-N	345.399	4.809	50	40	EJGB	
Br[C@@H]1C[C@@]23CC[C@H](C2)[C@H](Br)C[C@@]32CC[C@H]1C2	101139292	IDDJGMFUPVJENF-LEZGYBIHSA-N	348.122	4.894	50	40	EJGB	
Cc1ccc(CSCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	408829225	ONQOLVQVLVKYQY-UHFFFAOYSA-N	346.540	4.937	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(C(F)(F)F)c2)cc1	1095545	GXQNPSAXJQBVJS-NTEUORMPSA-N	330.309	4.560	50	40	EJGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(C(=O)O)cc1	4813705	BKEZGAJGIMFUJH-WJDWOHSUSA-N	333.318	4.848	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1	5712749	DHPHMXYUSXQZSA-XNTDXEJSSA-N	340.810	4.593	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Cl)cc1Cl	20195496	PJDCOKIVULREIU-FYJGNVAPSA-N	349.261	4.693	50	40	EJGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	108208127	UZNCMZAYSAPKSD-XFFZJAGNSA-N	335.165	4.678	50	40	EJGB	
CSc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	229589	LOXLAHJQINMGTL-JLHYYAGUSA-N	328.824	4.608	50	40	EJGB	
CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCl)c2C#N)C1	5916915	RWGZNNQJVKUZSQ-NSHDSACASA-N	338.904	4.728	50	40	EJGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)c(Cl)c1	15938586	SLDPZGVYRJMDHK-YUUYUSRLSA-N	347.245	4.637	50	40	EJGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(Cl)cc1	409074448	ZOJQYEGIXUTBMN-AQTBWJFISA-N	338.838	4.549	50	40	EJGB	
O=C(Nc1ncc(Cc2ccccc2)s1)[C@@H](Cl)c1ccccc1	3491332	VEDUSVOYWQBTAI-INIZCTEOSA-N	342.851	4.653	50	40	EJGB	
N#CC(=C1C=CC(=NOC(=O)Nc2ccccc2)C=C1)c1ccccc1	5734752	XYYNNGCBYIANQF-UHFFFAOYSA-N	341.370	4.694	50	40	EJGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccnc1)c1ccccn1	32815492	HOMSQEVRTYFRFZ-LICLKQGHSA-N	347.805	4.773	50	40	EJGB	
Cn1c(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)nc2ccccc21	97990621	JBTRZMCEHCARMB-WQLSENKSSA-N	328.202	4.944	50	40	EJGB	
CC(/C=N/NC(=O)CNc1cccc(C)c1)=C\c1ccc(C(C)C)cc1	3077462	YARHZMFWFRBLQL-OSLDRDPGSA-N	349.478	4.736	50	40	EJGB	
Cn1c(SCCCCl)nnc1-c1cc(Cl)ccc1Cl	228979950	WAHJTXCSQIQMEP-UHFFFAOYSA-N	336.675	4.510	50	40	EJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\C=C\c2ccccc2)c1	408782532	HYRJCQIIHISHMI-ZASSTFFZSA-N	332.403	4.576	50	40	EJGB	
Fc1ccc(Br)c(C(F)(F)F)c1CBr	575690041	SGWHXTCYVWLBPD-UHFFFAOYSA-N	335.920	4.502	50	40	EJGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1nc2ccccc2s1	5068735	TXYSDFWVOXZECU-FMIVXFBMSA-N	328.343	4.962	50	40	EJGB	
O=C(NNc1ccccc1C(F)(F)F)c1ccc2ccccc2c1	14907333	OFLGOIZSRJCSEX-UHFFFAOYSA-N	330.309	4.616	50	40	EJGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C2	100983307	RQDWKDOPCYXHQD-TYLXLEQLSA-N	339.266	4.925	50	40	EJGB	
O=S(=O)(C[C@H](Cl)c1ccccc1)c1ccc(Cl)c(Cl)c1	1439608	WNUHZEVUZUNJIO-AWEZNQCLSA-N	349.666	4.747	50	40	EJGB	
CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1	2632742	OQLDESPEROWRKD-GXDHUFHOSA-N	342.851	4.916	50	40	EJGB	
Cn1c(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc2ccccc21	6516969	JBTRZMCEHCARMB-XYOKQWHBSA-N	328.202	4.944	50	40	EJGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1c(Cl)cccc1Cl	7164578	LZNWJPXXHHORRA-DHZHZOJOSA-N	335.165	4.678	50	40	EJGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC(C=O)=C[C@@]4(C)CC[C@@H]32)C1	4897423	IZJWIBVOSGOTPV-MZLYOWLHSA-N	344.495	4.696	50	40	EJGB	biogenic,in-vitro
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(Cl)c(Cl)c1	12379227	IUHCQHKTHCKDBY-BYHMIWLJSA-N	333.218	4.813	50	40	EJGB	
Cc1ccc2c(c1)[C@@H](Cl)[C@@H](Cl)[C@@H](C)N2C(=O)c1ccccc1	102674015	MOYBLVBLCSVNJJ-OAUYIBNBSA-N	334.246	4.931	50	40	EJGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1nc2ccccc2o1	409042687	OCRKLGIHQGBQNP-BJMVGYQFSA-N	331.158	4.904	50	40	EJGB	
N#CC1=C(N)OC2=C(CC/C2=C/c2ccccc2)[C@H]1c1ccccc1	66235	LLJLHSCOZOCNPV-MBGNVJMVSA-N	326.399	4.626	50	40	EJGB	
N#CSc1c(Cl)cc(C(=O)NC2CCCCC2)cc1Cl	59842978	SYIVCJUUTJCVKG-UHFFFAOYSA-N	329.252	4.629	50	40	EJGB	
C[C@@H]1C(=O)Nc2ccc(-c3csc(/C(C#N)=C\c4ccco4)n3)cc21	96920814	WXAMJGDQASZYPS-HKMIMPICSA-N	347.399	4.523	50	40	EJGB	
N#CC(C#N)=Cc1c(OCc2ccccc2F)ccc2ccccc12	142854524	SIFZNQSWDKQCLH-UHFFFAOYSA-N	328.346	4.988	50	40	EJGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2)cc1C(C)C	4196142	MQBXBRAPGSJDME-BOPFTXTBSA-N	334.419	4.673	50	40	EJGB	
CCOP(=O)(OCC)/C(C#N)=C\c1cccc(Br)c1	17197836	PHJGTFFIBWUKNI-LCYFTJDESA-N	344.145	4.580	50	40	EJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3)cc2[C@@H](C)CC1(C)C	223527622	UZZHRBNLADZUGG-PFRBSUFTSA-N	349.478	4.563	50	40	EJGB	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	2669740	PXTPSBJVPQPAKG-DHZHZOJOSA-N	348.185	4.890	50	40	EJGB	
CCCCC/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccccc1	14920934	FRDPGPVSIMVSIM-OJQHEYKJSA-N	334.463	4.891	50	40	EJGB	
CCc1nc(/C(C#N)=C/c2c[nH]nc2-c2ccc(F)cc2)sc1C	83817755	FSVQVEPFJAOHGH-MDWZMJQESA-N	338.411	4.607	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(Cl)s1	408965166	HDBICBJGJQEDCP-POHAHGRESA-N	337.231	4.909	50	40	EJGB	
O=C(CCCCl)Nc1cc(C(F)(F)F)ccc1N1CCCCC1	97455182	DWSNMCWDAPBLDN-UHFFFAOYSA-N	348.796	4.653	50	40	EJGB	
Cc1ccc(C(=O)N/N=C\c2c3ccccc3cc3ccccc23)o1	33285223	ZNPCYEIDZYLBER-XKZIYDEJSA-N	328.371	4.658	50	40	EJGB	
Fc1c(CBr)cc(Br)cc1C(F)(F)F	575690150	ZKIHZKBZVXLUKA-UHFFFAOYSA-N	335.920	4.502	50	40	EJGB	
N#C/C(=C\n1c(=S)[nH]c2ccccc21)c1nc2ccccc2s1	5734216	FVJSRQFHKCXCMJ-ZHACJKMWSA-N	334.429	4.830	50	40	EJGB	
O=C(c1cc(Br)ccc1F)[C@H](Cl)c1ccccc1	127043127	SHVJYGHBKKJJIY-CYBMUJFWSA-N	327.580	4.751	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)cc1	5712852	KYSNNBVCHQZSAW-RVDMUPIBSA-N	340.810	4.593	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Cl)c(Cl)c1	20195474	PCQMYCLKVSGLNZ-FYJGNVAPSA-N	349.261	4.693	50	40	EJGB	
Cn1c(/C=C(\C#N)c2ccc3ccccc3n2)nc2cc(Cl)ccc21	98063069	MDKQMVRXDCWQPK-GXDHUFHOSA-N	344.805	4.839	50	40	EJGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1F	225613758	PTJYJSBNQMUMCY-UHFFFAOYSA-N	343.181	4.836	50	40	EJGB	
N#C/C(=C/c1cc(Cl)cc(Cl)c1O)c1ccc([N+](=O)[O-])cc1	12367901	YCFHAVGFBAGKBL-WZUFQYTHSA-N	335.146	4.671	50	40	EJGB	
CCCCCCCCCCC(=O)N/N=C(\C)c1ccc2c(c1)OCO2	97965653	DDVNOQRSGPAUDT-LTGZKZEYSA-N	346.471	4.786	50	40	EJGB	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccc(F)cc2[nH]1	408568529	KHVYPEBLLRSYOI-XFFZJAGNSA-N	331.272	4.785	50	40	EJGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	409245806	ZHFLFGHWIPAVFU-NIFQHERQSA-N	348.446	4.648	50	40	EJGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Cl)c(Cl)c1	370025	SEAQDLFICCXVQS-UHFFFAOYSA-N	337.250	4.535	50	40	EJGB	
CC(C)c1ccc(C(=O)N/N=C/c2cccc(Cl)c2Cl)cc1	2100660	DTMVLUNPNVWVIO-KEBDBYFISA-N	335.234	4.881	50	40	EJGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	3909324	GOMIJWXBUILPHV-OEAKJJBVSA-N	338.495	4.651	50	40	EJGB	
CC(=O)N/N=C1\CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	118916128	SFYPSVCTPUMMMY-QHWRBBGISA-N	330.516	4.911	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	211438433	LFMUZAXUTMWLHM-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1C(C)(C)C	408566472	ABYNOZRCLUTZDL-DHDCSXOGSA-N	336.414	4.940	50	40	EJGB	
N#C/C(C(=O)Cc1cccc2ccccc12)=C1\Nc2ccccc2S1	100591002	QUQSLIDPWLCGMN-FXBPSFAMSA-N	342.423	4.904	50	40	EJGB	
O=C1[C@H](c2c[nH]c3ccccc23)N(c2ccc(Cl)cc2)[C@@H]1Cl	1633488	RZQNZWGZUBUHQV-RDJZCZTQSA-N	331.202	4.517	50	40	EJGB	
Cc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1	409368469	XFUIRLZOKPFQML-GDNBJRDFSA-N	345.183	4.664	50	40	EJGB	
ClCc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)no1	163042	JQXINYPZWYBYKO-UHFFFAOYSA-N	335.190	4.708	50	40	EJGB	
O=C(/C=C/c1ccc(Cl)cc1Cl)Oc1ccc([N+](=O)[O-])cc1	6889173	GOPYIJWJKUNOSX-KRXBUXKQSA-N	338.146	4.520	50	40	EJGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)c1	408775654	IUBYFZHEXRVITG-GDNBJRDFSA-N	340.810	4.673	50	40	EJGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	408808671	QRMXMKOLCGMYFK-WUXMJOGZSA-N	347.201	4.553	50	40	EJGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	408819036	XUGBSBPLKNMGLG-XNTDXEJSSA-N	340.810	4.673	50	40	EJGB	
N#CSc1ccc2c(c1)CCCN2C(=O)Nc1ccc(Cl)cc1	3177562	OFEGBUDYHQNHLO-UHFFFAOYSA-N	343.839	4.898	50	40	EJGB	
Cc1ccc([C@@H](NC(=O)N2CCCCCC2)C(Cl)Cl)cc1F	3205610	LGFWOOZEGSXNJK-CQSZACIVSA-N	347.261	4.565	50	40	EJGB	
CCOc1ccc(/C=N/C2=C(C#N)[C@@H]3CCCC[C@@H]3S2)cc1OC	100901914	BNYMNUMUBJTVOL-GBHVMDLXSA-N	342.464	4.554	50	40	EJGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCC4)cc3C)nc2c1	4705566	SPIXVNQLIJRBCL-AQTBWJFISA-N	342.446	4.844	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1	5792371	JWRHVCHNCSUFHG-MDWZMJQESA-N	331.202	4.848	50	40	EJGB	
CC(=O)N/N=C1/CC[C@@H]2[C@H]3CC[C@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]12C	6781049	SFYPSVCTPUMMMY-AXZCVTPPSA-N	330.516	4.911	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C/c3cc(Cl)c(O)c(Cl)c3)[nH]c2c1	16348216	KQQPCJVGALDOEA-VZUCSPMQSA-N	344.201	4.948	50	40	EJGB	
CC(=O)Oc1ccccc1/C=C(\C#N)c1nc(-c2ccccc2)cs1	44835350	RORFXGFWHKQUMG-GZTJUZNOSA-N	346.411	4.800	50	40	EJGB	
N#CSc1ccc2ccccc2c1/N=C/c1cc([N+](=O)[O-])ccc1O	71782770	XQSIDVMFQMBKKP-KEBDBYFISA-N	349.371	4.777	50	40	EJGB	
CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(O)CCCC2=N1	103871855	NNNTUTOERZHEAD-HNNXBMFYSA-N	330.840	4.972	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)[C@H]1C[C@H]2CC[C@@H]1C2	4646883	PCGSMNRXCOXARN-HXANALIOSA-N	325.239	4.535	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)o1	209376065	ZHBQSXWJMQACNO-VBKFSLOCSA-N	346.361	4.940	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)[nH]c3ccccc23)cc1Cl	408734145	DMONMTMVGJCJRP-NTEUORMPSA-N	349.821	4.984	50	40	EJGB	
CCCCOc1ccccc1/C=N/NC(=O)c1cccc2ccccc12	408889852	JYMCFEJLKHLVRP-XQNSMLJCSA-N	346.430	4.783	50	40	EJGB	
CCn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c2ccccc21	1097458	JMYZJMWJTXWGMF-FOWTUZBSSA-N	329.403	4.515	50	40	EJGB	
C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2Cl)cc1Cl	100420267	KEZXIYKJTYTGOO-RAXLEYEMSA-N	347.201	4.954	50	40	EJGB	
O=C(Nc1ccc(Cl)cc1)[C@H](Cl)[C@@H](Cl)c1ccccc1	1685435	CEFPLCZDFCBHST-UONOGXRCSA-N	328.626	4.866	50	40	EJGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1	6947578	WMBKPXMXOOKIPI-JXAWBTAJSA-N	342.398	4.784	50	40	EJGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1C1CCCCC1	8011492	PTLQPEFFGCSTML-LPYMAVHISA-N	341.430	4.513	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccco1	502022	GOMJDFDPMOHIAO-DJKKODMXSA-N	349.173	4.610	50	40	EJGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1)c1ccccc1	5527884	PHQJINCVESUSBP-UYPHOHSBSA-N	332.447	4.768	50	40	EJGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3)n2)cc1	13766338	IGLGBODGINBASD-NTCAYCPXSA-N	333.416	4.795	50	40	EJGB	
COc1ccc(C(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1	82076797	DKJSFFILYPAIKL-JYRVWZFOSA-N	332.186	4.792	50	40	EJGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)cc1	409364646	OGUIIJUPCSKCIW-AQTBWJFISA-N	329.355	4.797	50	40	EJGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	218723630	KCLOTILBBJTOGD-XBXARRHUSA-N	325.166	4.837	50	40	EJGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408876484	LOACLTLTLIQZMG-VIZOYTHASA-N	340.810	4.511	50	40	EJGB	
FC(F)(F)C(=C(N=C=S)C(F)(F)C(F)(F)F)C(F)(F)F	100099122	BMOYCSJTFCYLFM-UHFFFAOYSA-N	339.129	4.666	50	40	EJGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(Sc2ccc(Cl)cc2)o1	37493	RGPREGJNRMFCMK-FMIVXFBMSA-N	346.839	4.516	50	40	EJGB	
CC(C)OC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	141729	OGWWQHKPRFUJRK-LDADJPATSA-N	344.414	4.548	50	40	EJGB	
CCOP(=O)(OCC)/C(C#N)=C/c1cccc(Br)c1	1625109	PHJGTFFIBWUKNI-UKTHLTGXSA-N	344.145	4.580	50	40	EJGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc(C2CC2)nc2ccccc12	2319196	HQANQFAIBAWMHH-SKRBABGKSA-N	341.414	4.541	50	40	EJGB	
Cc1cccc(C)c1N/C=C(/C=O)c1nc2cc(Cl)ccc2o1	5337829	AQNCVWICLGAUDF-LCYFTJDESA-N	326.783	4.750	50	40	EJGB	
O=C(O)c1cc(-c2cc(Cl)ccc2Cl)oc1CBr	11692926	CLORMDMDAUKJFD-UHFFFAOYSA-N	349.995	4.847	50	40	EJGB	
Cc1ccsc1/C=C(C#N)/C(O)=N/c1cc([N+](=O)[O-])ccc1Cl	17072313	RFALWNFXZJRGRZ-UXBLZVDNSA-N	347.783	4.813	50	40	EJGB	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(OCc2cccc(C#N)c2)c1	40139565	ROBACZCMLLFTEF-YBFXNURJSA-N	344.414	4.659	50	40	EJGB	
Cc1nc2sccn2c1/C=C(\C#N)c1nc(-c2ccccc2)cs1	4864268	LKPIASWXZYVENH-NTEUORMPSA-N	348.456	4.892	50	40	EJGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccs2)o1	5547495	WXMDKCAPZMCUTO-VXLYETTFSA-N	344.823	4.734	50	40	EJGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	5698403	OLXYGCWAGVIJLK-JYRVWZFOSA-N	331.202	4.848	50	40	EJGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OC(C)C	33923916	GNJHFYUHUFEDSD-YBEGLDIGSA-N	347.418	4.731	50	40	EJGB	
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)CCl	216858775	ZOZFFIMDOYSFDO-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)cc1	408986059	ORNLYLHKCYCVFO-XDHOZWIPSA-N	349.430	4.661	50	40	EJGB	
O=C(CCCCl)c1ccc(Br)cc1OC(F)(F)F	575362592	DIOPMCSDBMBSNW-UHFFFAOYSA-N	345.542	4.549	50	40	EJGB	
CCCCCCCCC(=O)N/N=C/c1ccc(Br)s1	2790409	FLUJFTKWRNPKDS-LFIBNONCSA-N	345.306	4.711	50	40	EJGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(N)=S	33367594	LOXHHHZNBZWELA-SFQUDFHCSA-N	344.439	4.612	50	40	EJGB	
CC(C)c1ccc(-c2nc3cc(NC(=O)CCl)ccc3o2)cc1	216854922	CNSDVAGPHYGBFK-UHFFFAOYSA-N	328.799	4.796	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1	6935437	MIDVARLDNCVTJW-NBVRZTHBSA-N	334.419	4.583	50	40	EJGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCC(C)C)cc3)[nH]c2c1	50538941	VTOOIRGRBSOTSX-BOPFTXTBSA-N	331.419	4.970	50	40	EJGB	
CCCCCC(=O)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	5782374	KFDVBLNAMFDMCF-NSHDSACASA-N	338.360	4.502	50	40	EJGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	20243946	WACACEGIXUKKCC-HFITWMCCSA-N	340.492	4.615	50	40	EJGB	
CC(=O)O[C@@H]1c2ccc(cc2)CCc2ccc(cc2)[C@H]1Br	3136905	VBFBMEDMURDRIK-QZTJIDSGSA-N	345.236	4.526	50	40	EJGB	
CSc1ccc(C)c(C(=O)NNc2ccc(Cl)c(Cl)c2)c1	40050415	JGCXHNRJBCZOAS-UHFFFAOYSA-N	341.263	4.781	50	40	EJGB	
CC(C)c1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1	408759730	KLEVWDXFRBMJKI-FSJBWODESA-N	348.368	4.522	50	40	EJGB	
O=C(N/N=C/c1ccccc1Cl)c1cc(C2CC2)nc2ccccc12	139028	UUADKYKKRKEVFB-WSDLNYQXSA-N	349.821	4.530	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1[N+](=O)[O-]	6441744	QCJQDZOYCAEMGC-WJDWOHSUSA-N	330.343	4.821	50	40	EJGB	
O=C(CCCCBr)c1cc(F)cc(C(F)(F)F)c1	575361395	ZZCNKPMHLXISMX-UHFFFAOYSA-N	327.115	4.592	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	1912630	QEXHVMHAMLCHQE-QGOAFFKASA-N	334.419	4.638	50	40	EJGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(Cl)cc1	408777768	IEUJJBZBWCVPGI-ZXOFLVKFSA-N	346.883	4.502	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc2c(c1)OCO2	409366548	VYXPCFUZVNAHOB-SXGWCWSVSA-N	340.338	4.611	50	40	EJGB	
O=C(N/N=C\c1ccccn1)Nc1ccc(/N=N/c2ccccc2)cc1	5742658	DLYIAJYFRTWUAA-WRKLRJIISA-N	344.378	4.653	50	40	EJGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)cc(C)c1O	33481693	MBSUUNXMTVVFGE-NVNXTCNLSA-N	328.209	4.836	50	40	EJGB	
C[PH](c1ccccc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	104159952	UGAFXLWYOHCISG-UHFFFAOYSA-N	347.225	4.649	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	408744931	OBUQMVORIOQCRY-PDGQHHTCSA-N	334.419	4.576	50	40	EJGB	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1	4652446	CRALVCOOXRQCDE-BRYHAGSVSA-N	343.430	4.569	50	40	EJGB	
CCCCCCCOc1ccc(/C=N/NC(=O)c2ccccc2)cc1	8426954	PVNMNRBPZXEFNJ-OQKWZONESA-N	338.451	4.800	50	40	EJGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1c(F)cccc1Cl	408922591	FIDOLJKVNLVZCT-DHZHZOJOSA-N	349.192	4.987	50	40	EJGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(C)cc1C	5538289	FMAWCRYMJQQQDP-UDWIEESQSA-N	335.234	4.764	50	40	EJGB	
N#C/C(=C1\C=Cc2ccccc2N1)c1c(C(=O)O)sc2ccccc12	17247872	SQUZLIXKMOJEES-PEZBUJJGSA-N	344.395	4.973	50	40	EJGB	
Cc1cc(/C=C(\C#N)c2ccccn2)cc(C)c1OCc1ccccn1	32922422	VHEDRVPFLFFBOA-CPNJWEJPSA-N	341.414	4.737	50	40	EJGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C)o1	5547577	MJUBHDHWIAOVNM-VCHYOVAHSA-N	332.812	4.610	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(CCC)cc2)cc1	27103803	UIBVMMRZEQJINI-XDJHFCHBSA-N	349.430	4.940	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cc1	44028280	ZAMWZYJGHQZTDS-FMIVXFBMSA-N	332.186	4.792	50	40	EJGB	
Cc1cccc(C)c1OCC(=O)NN(c1ccccc1)c1ccccc1	18192007	YCUOTGDXVUYXFV-UHFFFAOYSA-N	346.430	4.552	50	40	EJGB	
CCCCCCOc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1	19690562	DJLPHWCFKIWSDY-UHFFFAOYSA-N	335.451	4.928	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	192696008	PUQXUGVGHGXCCJ-OQLLNIDSSA-N	340.810	4.511	50	40	EJGB	
N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)c1ccc(Cl)cc1	4675258	BWLAAONRALOEDF-FOWTUZBSSA-N	348.789	4.893	50	40	EJGB	
C[C@H](Cl)CN(Cc1c(O)ccc2ccccc12)C[C@H](C)Cl	4991086	JCPFUQRDIJAVEQ-STQMWFEESA-N	326.267	4.602	50	40	EJGB	
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1	13324319	MGZTVXXLNUOWSZ-KOEFRDAESA-N	334.463	4.628	50	40	EJGB	
COc1ccccc1/C=C/C=C(\C#N)c1nc(-c2ccncc2)cs1	96401040	SGMHYGZEOQHHJX-BHAVQNJHSA-N	345.427	4.834	50	40	EJGB	
CCO/C(C)=C\[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100470982	XEOBRXKACGTRLX-VXPUYCOJSA-N	347.418	4.878	50	40	EJGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(C2CC2)nc2ccccc12	139038	LRJDZVWYYDOTQO-WSDLNYQXSA-N	349.821	4.530	50	40	EJGB	
N#CC(C#N)=CNc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2	6657422	NLMIDSKAOZYLTJ-UHFFFAOYSA-N	345.431	4.513	50	40	EJGB	
CC(C)Oc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Cl	408543403	QXBWMCRLKIXNFW-SXGWCWSVSA-N	341.794	4.890	50	40	EJGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3OC)cs2)cc1	4795265	LLNGOEAOWIVJNB-RVDMUPIBSA-N	348.427	4.891	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	172691071	YEHDUVAVSJCNJT-XYOKQWHBSA-N	347.201	4.548	50	40	EJGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c(C)c1	545507	FKBUNLBQJNQJPU-MHWRWJLKSA-N	329.403	4.639	50	40	EJGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	1631487	UFGGEXWNZZHOTM-UKTHLTGXSA-N	333.246	4.836	50	40	EJGB	
Cc1cc(C)c(NC(=O)[C@@H](Br)CCCCCl)c(C)c1	4590117	NAEAFRWQSQYOSV-ZDUSSCGKSA-N	346.696	4.723	50	40	EJGB	
Cc1ccc([C@]2(C(F)(F)F)N=C(Cl)C(C#N)=C3C=CC=CN32)cc1	8133018	XPNHBFJWCKPFNG-INIZCTEOSA-N	349.743	4.524	50	40	EJGB	
N#C/C(=C/c1cccn1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1	408856690	KRGUFNFESUKEKF-SQFISAMPSA-N	347.805	4.676	50	40	EJGB	
CCCCCCCC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	2251534	KLEULXXOXHPESI-UHFFFAOYSA-N	346.258	4.507	50	40	EJGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	59116691	FXANDRSGOHECBU-XNTDXEJSSA-N	340.810	4.673	50	40	EJGB	
O=C(N=C=S)c1ccc(-c2ccc(Cl)cc2Br)o1	73638371	BFXVRXDANONXTI-UHFFFAOYSA-N	342.601	4.606	50	40	EJGB	
CCN(C(=O)C(Cl)Cl)[C@H](Cc1ccccc1)c1ccccc1	2048225	GTQZYUHPRSOLKY-MRXNPFEDSA-N	336.262	4.623	50	40	EJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccc(F)cc2)cc1	4083548	ANMXTJAIGKVTEQ-VKAVYKQESA-N	331.394	4.747	50	40	EJGB	
O=C(CBr)c1ccc(Oc2ccc(Cl)cc2)cc1	39320569	ORXLVGIZIGVHGE-UHFFFAOYSA-N	325.589	4.710	50	40	EJGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC	59335634	JRYDAFXCYADEDK-RGEXLXHISA-N	346.430	4.668	50	40	EJGB	
Cc1cccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)c1	408542536	KABBAWMJVPVBRS-AQTBWJFISA-N	328.371	4.548	50	40	EJGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(-c3cccc(F)c3)o2)cc1	409014427	PPFMFFXNPPRMOV-MTJSOVHGSA-N	337.354	4.550	50	40	EJGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	409245804	ZHFLFGHWIPAVFU-FATULCLFSA-N	348.446	4.648	50	40	EJGB	
CCCCOC(=O)c1cccc(-c2ccc(/C=C/C(=O)Cl)o2)c1	8729563	QCAXYTWLICMROH-CSKARUKUSA-N	332.783	4.682	50	40	EJGB	
O=C1[C@H](Cl)N(c2ccc(Cl)cc2)[C@@H]1c1c[nH]c2ccccc12	5594136	RZQNZWGZUBUHQV-NVXWUHKLSA-N	331.202	4.517	50	40	EJGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(-c3cccc(F)c3)o2)c1	409013068	SLYSCOKDEGSNGF-MTJSOVHGSA-N	337.354	4.550	50	40	EJGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)C12CC3CC(CC(C3)C1)C2	5480046	XGDSEPBIGOPGPA-UMERLBKLSA-N	348.490	4.965	50	40	EJGB	
O=C(NN=C1CCCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12	5576308	ABFBEJIPCGBVDI-UHFFFAOYSA-N	347.393	4.701	50	40	EJGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3)cc2[C@H](C)CC1(C)C	208304387	UZZHRBNLADZUGG-LGVXEURYSA-N	349.478	4.563	50	40	EJGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4833591	WNBLLFWAODMZLM-PXNMLYILSA-N	346.411	4.911	50	40	EJGB	
CC(C)(C)OC(=O)N[C@@H](CCBr)c1cccc(Cl)c1	35633056	FFGMBEZRJQVJJC-LBPRGKRZSA-N	348.668	4.691	50	40	EJGB	
CCCCCC(=C/c1ccccc1)/C=N/NC(=O)CNc1ccccc1	96703906	YYRIKQABORZMIA-WUPOHKCWSA-N	349.478	4.864	50	40	EJGB	
CC(C)c1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	103761997	XEHQWBNVXZYUHD-WQRHYEAKSA-N	345.851	4.802	50	40	EJGB	
CC(C)(C)C1=C(C#N)[C@@H](c2c(Cl)cccc2Cl)C(C#N)=C(N)O1	139616	ATYARZSCGLJYIH-CYBMUJFWSA-N	348.233	4.625	50	40	EJGB	
C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	4898941	PEVXRDFALRLARI-ALSZNTJWSA-N	326.783	4.602	50	40	EJGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)c1cccc(Br)c1	59138357	ZAXWOVKLOIGMGN-KAMYIIQDSA-N	343.224	4.706	50	40	EJGB	
O=[N+]([O-])c1ccc(S[C@H]2CCCCCC[C@@H]2Cl)c([N+](=O)[O-])c1	1638427	ASPCBQHUIMIRPT-AAEUAGOBSA-N	344.820	4.925	50	40	EJGB	
CC(C)N1C(=O)C(C#N)=C(c2ccccc2)S[C@@H]1c1ccccc1	2041588	KXHDZZULGULEBK-HXUWFJFHSA-N	334.444	4.604	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1	5747879	ZBICWVWOUGMEAD-GHRIWEEISA-N	342.398	4.703	50	40	EJGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC#N	8112843	IYXKCPGUYIVJCL-QGOAFFKASA-N	340.382	4.815	50	40	EJGB	
C[C@H](/C=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1	4724561	JBKHYJPKLOHRPL-DHULPTAISA-N	348.490	4.993	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1Cl	5795257	ZNINSUKAOPRZFW-UFWORHAWSA-N	341.625	4.719	50	40	EJGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	23217352	DPBZOLSCGMRTTP-NBVRZTHBSA-N	334.419	4.720	50	40	EJGB	
CC1(C)[C@]2(C[C@H](Br)c3ccccc3)CC[C@@]1(C)C(=O)O2	3846020	OEJBIPVUKOLWGT-RRQGHBQHSA-N	337.257	4.635	50	40	EJGB	
C[C@@H]1CCc2nc(/C(C#N)=C/c3ccccc3OC(F)F)sc2C1	5447157	KFLZXMBBSNWVFS-VSXLWIIGSA-N	346.402	4.933	50	40	EJGB	
FS(F)(F)(F)(F)c1cccc(I)c1	95676544	OPPXUPGOUVHFHM-UHFFFAOYSA-N	330.059	4.949	50	40	EJGB	in-vitro
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c1	211488309	RUURJMATNIKPSS-CYVLTUHYSA-N	345.446	4.531	50	40	EJGB	
COc1ccc(N/C(SC(C)(C)C)=C(\C#N)C(F)(F)F)cc1	5066153	ZFKAJXHZOBHWFD-SEYXRHQNSA-N	330.375	4.936	50	40	EJGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1	20344761	JGZVHNOLQILSTF-XMHGGMMESA-N	341.414	4.640	50	40	EJGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Cl	408786439	PYLCRIGSUIDYFB-GDNBJRDFSA-N	340.810	4.593	50	40	EJGB	
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccccc1Cl	3277580	KFIWFKSRNRAXES-UHFFFAOYSA-N	330.778	4.623	50	40	EJGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2cc3ccccc3cc2O)C1	12403696	NBFSKQNISYOHDF-BIDVBJRCSA-N	334.419	4.564	50	40	EJGB	
CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1	20064752	KSULAWQEAGVPNG-SFHVURJKSA-N	338.476	4.602	50	40	EJGB	
CCN(CC)c1ccc(-c2ccc(C(C#N)=C(C#N)C#N)s2)s1	101002734	WRKCFXXOHTVYTP-UHFFFAOYSA-N	338.461	4.647	50	40	EJGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1	1912636	VSDKXHLJVSNUQM-NBVRZTHBSA-N	334.419	4.583	50	40	EJGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408880937	JLNUVOICKVFCDA-NBVRZTHBSA-N	334.419	4.720	50	40	EJGB	
O=C(N/N=C/C=C/c1ccco1)c1cc2c(ccc3ccccc32)o1	5876177	UTLWGMXQLLISQM-NXSJWNDHSA-N	330.343	4.608	50	40	EJGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c3c(cccc13)CC2	408759316	CCDKGKXIZZKZQN-CPNJWEJPSA-N	338.410	4.793	50	40	EJGB	
C/C(=N\NC(=O)CCc1ccccc1)c1ccc(-c2ccccc2)cc1	12362287	VIUMHLIOBACASS-HKOYGPOVSA-N	342.442	4.827	50	40	EJGB	
FC(F)(F)c1ccc(Br)c(CCCBr)c1	199549689	IMXKOWPCSOSKPJ-UHFFFAOYSA-N	345.984	4.795	50	40	EJGB	
COc1cc(OC)c(/C=C(/C#N)c2ccccc2)cc1Br	409362191	IDPHPUPXVCJTGL-ZSOIEALJSA-N	344.208	4.530	50	40	EJGB	
COc1cccc2cc(/C=C(\C#N)c3ccc(C(F)(F)F)cn3)oc12	73881040	RVWLPPOCXMDWEM-XYOKQWHBSA-N	344.292	4.919	50	40	EJGB	
COc1cc(/C=C/C#N)ccc1OC(=O)/C=C/c1ccccc1Cl	1787422	AZSXBYCJGCGGFN-RQYWULHYSA-N	339.778	4.504	50	40	EJGB	
CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CCl)cs1	2619176	UOVPPNNRTFTOMS-UHFFFAOYSA-N	334.750	4.585	50	40	EJGB	
O=C1[C@H](Cl)N(c2ccc(Cl)cc2)[C@H]1c1c[nH]c2ccccc12	5594154	RZQNZWGZUBUHQV-DOTOQJQBSA-N	331.202	4.517	50	40	EJGB	
Cn1c(/C(C#N)=C\c2ccc(OC(F)(F)F)cc2)nc2ccccc21	98002037	WBUTXYZHGNXUQC-RAXLEYEMSA-N	343.308	4.536	50	40	EJGB	
COc1c(Cl)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Cl	408540696	AZASUNUGGZBCIN-MLPAPPSSSA-N	348.185	4.764	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(Cl)c1	4827464	OFATTZMOCHOHMR-UFWORHAWSA-N	341.625	4.719	50	40	EJGB	
N#C/C(=C\c1ccoc1)c1nc(-c2cc3ccccc3oc2=O)cs1	5704913	PQLCHCKJDARVNJ-VGOFMYFVSA-N	346.367	4.574	50	40	EJGB	
C#CCn1c(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc21	17071377	AZAOQBUJKVVROC-LGMDPLHJSA-N	341.370	4.555	50	40	EJGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)Nc1ccccc1	409006309	IRGTXMIUEWQWAN-JCMHNJIXSA-N	347.418	4.784	50	40	EJGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1cc2cc(Cl)ccc2o1	409014783	JNMKMWFJQPKKDQ-OCKHKDLRSA-N	333.174	4.504	50	40	EJGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)c1nc(-c2ccccc2)cs1	7352419	CWCOLVSSOBRMNA-MHWRWJLKSA-N	332.384	4.572	50	40	EJGB	
CCCCC/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1	14920924	FRDPGPVSIMVSIM-BPJALHBQSA-N	334.463	4.891	50	40	EJGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(C)cc1C	408592652	ZYAWUGYAQUVKKK-HAVVHWLPSA-N	336.479	4.684	50	40	EJGB	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	568106	DJBWZNWQRXURHM-UKTHLTGXSA-N	349.308	4.824	50	40	EJGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCc1ccc(Cl)cc1	40007486	ZIVKSEFYOCHRIY-UHFFFAOYSA-N	338.794	4.748	50	40	EJGB	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	44027336	HYHLZNZHLVAPTM-YRNVUSSQSA-N	344.754	4.640	50	40	EJGB	
Cc1cc(Br)ccc1C(=O)CCCCCBr	309356845	IPBJAMLDOOSBFY-UHFFFAOYSA-N	348.078	4.896	50	40	EJGB	
O=C(CCCCl)c1ccc(Br)c(C(F)(F)F)c1	575362646	QARHFPIAMIVOEE-UHFFFAOYSA-N	329.543	4.670	50	40	EJGB	
C/C(=N/NC(=O)c1cc2cc(Cl)ccc2[nH]1)c1ccc(Cl)cc1	4680469	VSKPLLRLVWORNB-FBHDLOMBSA-N	346.217	4.629	50	40	EJGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccccc1F	6027212	YSGUASCSHGTYII-LGMDPLHJSA-N	336.410	4.889	50	40	EJGB	
O=C(CCCCCBr)c1cccc(OC(F)(F)F)c1	575358824	GFIHBQFZWZCAFV-UHFFFAOYSA-N	339.151	4.723	50	40	EJGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	4544430	BYOAEQKABPTZTR-GFPWBYKUSA-N	337.250	4.595	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(O)ccc3ccccc23)cc1C	75271485	REHDPYIYDWTRHY-SFQUDFHCSA-N	342.398	4.708	50	40	EJGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccccc2)o1	409360444	FNDLGKIVRODDLC-PTNGSMBKSA-N	346.342	4.928	50	40	EJGB	
CC[C@H](Cl)C(=O)c1ccc(Br)cc1OC(F)(F)F	575362632	NIAPZVOIFYPFSU-QMMMGPOBSA-N	345.542	4.548	50	40	EJGB	
C#CCn1c(C)c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21	34687316	JSTCKFUUMALFQH-DTQAZKPQSA-N	336.398	4.523	50	40	EJGB	
Cc1ccsc1/C=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	4719798	JPXAHBGZGILTNF-HEXNSGTLSA-N	340.492	4.608	50	40	EJGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1C	7156951	GCGKMAVYCNKMLD-GHRIWEEISA-N	342.398	4.703	50	40	EJGB	
CCc1cccc(CC)c1NC(=O)[C@H](Br)c1ccccc1	162860	NZVZWMYNXZUEHV-MRXNPFEDSA-N	346.268	4.886	50	40	EJGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)s1	2807732	OWUSXUCGZXNSGK-JXMROGBWSA-N	337.231	4.909	50	40	EJGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1C=COC2=C1CCCC2	68592144	UXSQJZRONDFDHD-OAQYLSRUSA-N	336.371	4.741	50	40	EJGB	
COc1cc(C(=O)[C@H](Cl)c2ccccc2)ccc1Br	575362425	ZWGGHQJIYNRJCK-CQSZACIVSA-N	339.616	4.621	50	40	EJGB	
Nc1nc(CCl)nc2oc(-c3ccccc3)c(-c3ccccc3)c12	12505987	FMEVTKZWXSFLTQ-UHFFFAOYSA-N	335.794	4.878	50	40	EJGB	
O=C(NNc1ccnc2c(Cl)cccc12)Nc1cccc(Cl)c1	26780115	FXHCBYZHSCIGJL-UHFFFAOYSA-N	347.205	4.690	50	40	EJGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c(C)c1	408810088	OXEVCAJEDPTNHX-XNTDXEJSSA-N	340.810	4.511	50	40	EJGB	
Cc1ccc(/C=N/NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	2757869	MOLUVBZTZTVIHC-NKPGHXBVSA-N	334.463	4.546	50	40	EJGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	6242570	IXKSTBCZURHZJR-HYARGMPZSA-N	334.806	4.771	50	40	EJGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)c1cccc(Br)c1	408789452	KULQTVAPLYAEDH-SDQBBNPISA-N	334.600	4.872	50	40	EJGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1C1CCCC1	34706222	WAZMQXFPNVPHPF-AQTBWJFISA-N	339.483	4.576	50	40	EJGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	408760804	ABNGTTGEUDIQTG-PDGQHHTCSA-N	332.403	4.558	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1	134282	DFBVEQIZCIGRAX-FOWTUZBSSA-N	346.361	4.940	50	40	EJGB	
C[C@@H](CCl)OP(=O)(Cc1ccccc1)O[C@H](C)CCl	1737326	NBJGKGQMNVHKHH-MGURWIJKSA-N	325.172	4.668	50	40	EJGB	
CN(C)/C=C/C(=O)c1ccc(/C(C#N)=C/c2ccc(Cl)cc2)s1	3049564	WWHUMLRFUMZCKK-QDCWQMMGSA-N	342.851	4.724	50	40	EJGB	
CCC/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(Cl)cc1	12418955	CLJOYLGWKKPKBU-CAPFRKAQSA-N	335.234	4.928	50	40	EJGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1	5536627	KOSMCQJUXHLEGH-LPYMAVHISA-N	333.435	4.538	50	40	EJGB	
Cc1cc(Cl)ccc1N/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	57414173	AZGQXUACJSZKGI-BENRWUELSA-N	346.217	4.760	50	40	EJGB	
N#CC(C#N)=Cc1ccc(-c2ccc(Br)cc2Cl)o1	252479901	BPCKSCDCXPEGJB-UHFFFAOYSA-N	333.572	4.793	50	40	EJGB	
C/C(=N\NC(=O)Cc1cc(C)ccc1C)c1cccc2ccccc12	409362312	IWKMMDGUKPSOEF-HAVVHWLPSA-N	330.431	4.540	50	40	EJGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccsc3)sc2c1	2747520	VYMCHFMWLXDKCJ-REZTVBANSA-N	334.853	4.689	50	40	EJGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCc1ccccc1Cl	4548225	ABXXOWCCVBZTDH-UHFFFAOYSA-N	338.794	4.748	50	40	EJGB	
CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1	4667771	OIJDNZGQGHUOIP-MRXNPFEDSA-N	344.867	4.522	50	40	EJGB	
COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)ccc1O	12849194	GSJZIJREMXRJNL-IZZDOVSWSA-N	342.807	4.728	50	40	EJGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3ccccc3Cl)oc12	216854349	MDEFYLITCPKKOH-UHFFFAOYSA-N	335.190	4.634	50	40	EJGB	
O=C1Cc2ccccc2/C(=C/CCBr)c2ccccc21	34058929	QVIBQLAUHHKJDM-GDNBJRDFSA-N	327.221	4.642	50	40	EJGB	in-vitro
N#C/C(=C\c1csc(-c2cccs2)n1)c1ccc([N+](=O)[O-])cc1	84444978	RNXRQTQYJHMKJZ-XYOKQWHBSA-N	339.401	4.844	50	40	EJGB	
O=C(Nc1nc(-c2ccccc2)cs1)[C@H](Cl)c1ccccc1	3276864	JUESUMOJOQUTAY-OAHLLOKOSA-N	328.824	4.729	50	40	EJGB	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2)c(C)n1Cc1ccco1	7007327	RBNAKFSOTNLYTC-XDHOZWIPSA-N	330.387	4.536	50	40	EJGB	
Cc1ccc([C@@]2(C(F)(F)F)N=C(Cl)C(C#N)=C3C=CC=CN32)cc1	8133019	XPNHBFJWCKPFNG-MRXNPFEDSA-N	349.743	4.524	50	40	EJGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	67005960	RUOHRPIGORNFAI-GHXNOFRVSA-N	347.201	4.553	50	40	EJGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1ccc([N+](=O)[O-])cc1	409216425	IDPZQWAOOAFFOC-BOPFTXTBSA-N	341.326	4.791	50	40	EJGB	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc12	8116097	WDEJXCQIIXEFRH-VBKFSLOCSA-N	330.343	4.821	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)cc1C	59678472	RGAVCKZUHXBLOO-SFQUDFHCSA-N	343.430	4.649	50	40	EJGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	209483353	UMVPKDBVHJITER-LICLKQGHSA-N	337.806	4.733	50	40	EJGB	
N#C/C(=C\c1cccc2c1OCO2)c1nc(-c2ccccc2)cs1	5604579	XGMPIVMOMCFISY-OQLLNIDSSA-N	332.384	4.603	50	40	EJGB	
C[C@H](Cl)CN(Cc1ccc2ccccc2c1O)C[C@@H](C)Cl	1574457	ADESJUUXBVLLJT-BETUJISGSA-N	326.267	4.602	50	40	EJGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1Cl	4544433	BYOAEQKABPTZTR-VJGWNOENSA-N	337.250	4.595	50	40	EJGB	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c(C)[nH]c3ccccc23)cc1	4652445	CRALVCOOXRQCDE-PWDRBQJJSA-N	343.430	4.569	50	40	EJGB	
N#C/C(=C/c1cccs1)c1nc(-c2ccc3c(c2)OCO3)cs1	4811937	JLPSPWFPPPHKKY-SDQBBNPISA-N	338.413	4.664	50	40	EJGB	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1c(Cl)cccc1Cl	48325353	DEHQSEKZEIULOK-JYRVWZFOSA-N	327.170	4.655	50	40	EJGB	
CCOc1cc(C)c(/C=N/NC(=O)Nc2ccccc2)cc1C(C)C	408848166	QJRSQPKOTHTIKB-FYJGNVAPSA-N	339.439	4.673	50	40	EJGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1c(O)ccc2ccccc12	408889961	LTJJVJXPGMJBKF-GHRIWEEISA-N	342.398	4.653	50	40	EJGB	
C=CCN1C=CC=C/C1=C(/C#N)c1nc(-c2ccc(OC)cc2)cs1	257173547	QFMONRVEAHNIBT-HTXNQAPBSA-N	347.443	4.625	50	40	EJGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2c(C)n(C)c3ccccc23)c1	408816614	LXAVPAHLCOYKJJ-SFQUDFHCSA-N	343.430	4.649	50	40	EJGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(Br)cc1	1625106	CJBUCTWITLKVFJ-UKTHLTGXSA-N	344.145	4.580	50	40	EJGB	
O=C(COc1ccccc1)NN=C1CCCCCCCCCCC1	504320	QEMVORCXCSSWHE-UHFFFAOYSA-N	330.472	4.842	50	40	EJGB	
N#CCCn1cc(C=C(C#N)C#N)c(-c2ccc(-c3ccccc3)cc2)n1	4076719	JDSIJPKXENYDMQ-UHFFFAOYSA-N	349.397	4.561	50	40	EJGB	
COc1c(O)cc(/C=C(/C#N)c2nc3ccccc3s2)cc1Cl	4994549	XQZFKWXCFVXLMO-WDZFZDKYSA-N	342.807	4.728	50	40	EJGB	
ClCc1ccc2nc(-c3cncc(Br)c3)sc2c1	73635254	KRRSWTNCYNPNGQ-UHFFFAOYSA-N	339.645	4.860	50	40	EJGB	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1nc2ccccc2[nH]1	9337384	NHHIKFOYNQSHSX-UKTHLTGXSA-N	346.390	4.890	50	40	EJGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)Nc1ccccc1	503655	HOXFBRAYKUUVNV-RCCKNPSSSA-N	331.375	4.635	50	40	EJGB	
ClC[C@@H]1NC[C@@H](c2ccccc2Cl)c2c1[nH]c1ccccc21	25389327	KBLAGFGRWPUXJS-BBRMVZONSA-N	331.246	4.836	50	40	EJGB	
CCOc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC	408544671	WNJMNGRWBRDDEE-MHWRWJLKSA-N	347.418	4.651	50	40	EJGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	408883824	WTNBDTHQJLQXTR-GXDHUFHOSA-N	348.789	4.744	50	40	EJGB	
Br[C@@H](c1ccccn1)[C@H](Br)c1ccccc1	1700017	KFSIDJQXMLKJRU-OLZOCXBDSA-N	341.046	4.654	50	40	EJGB	
O=C(/C=C/c1cccs1)NNc1c(Cl)cc(Cl)cc1Cl	3270260	UWQQRKQNQYVCEK-ONEGZZNKSA-N	347.654	4.865	50	40	EJGB	
Cc1ccc(NC(=S)N/N=C(/CCCCl)c2ccccc2)cc1	4280771	SLNMYNYYGTYKTA-FXBPSFAMSA-N	345.899	4.705	50	40	EJGB	
Cc1ccc2c(c1)[C@@H](Cl)[C@H](Cl)[C@H](C)N2C(=O)c1ccccc1	4837588	MOYBLVBLCSVNJJ-JCURWCKSSA-N	334.246	4.931	50	40	EJGB	
CN(C)c1ccc(/C=C(/C#N)c2ccccc2F)cc1Br	33751381	CQFVOYOOZVOGLZ-LCYFTJDESA-N	345.215	4.718	50	40	EJGB	
Cc1ccccc1SCC(=O)/C(C#N)=C1/Nc2ccccc2S1	103706561	VKEXJYBOOFAZRX-AQTBWJFISA-N	338.457	4.609	50	40	EJGB	
CCCC/C(C)=N/NC(=O)CSCc1ccc2ccccc2c1	408727646	RCYSWMYNNSUKHO-HMMYKYKNSA-N	328.481	4.755	50	40	EJGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)ccc1C	408734092	CZTFECRIOPIDOU-OVCLIPMQSA-N	340.810	4.511	50	40	EJGB	
O=S(=O)(Sc1ccccc1)C(c1ccccc1)c1ccccc1	1681585	YFTDQHDZZPFMEM-UHFFFAOYSA-N	340.469	4.898	50	40	EJGB	
CCCC(C)(C)OOC(C)(C)C#C[C@]1(O)C[C@H]2CC[C@]1(C)C2(C)C	2238169	YTCWFEJWUUTLFC-HBGVWJBISA-N	336.516	4.873	50	40	EJGB	
CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)c2ccccc12	13371768	WELBEQHJFLOJAI-VKAVYKQESA-N	348.446	4.594	50	40	EJGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	4211345	FNADVQSLIBYTTA-XNTDXEJSSA-N	340.810	4.673	50	40	EJGB	
C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1ccccc1	408728234	XQADSSPKNDYLEQ-CJLVFECKSA-N	348.471	4.613	50	40	EJGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)o1	409041187	ZPCCKFRTNLKVJW-KEBDBYFISA-N	342.782	4.574	50	40	EJGB	
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)c1ccccc1	12375747	HFXMSEOARJHWKQ-BWKRGVPMSA-N	326.399	4.534	50	40	EJGB	
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccccc1	13324318	MGZTVXXLNUOWSZ-JWFIYZLRSA-N	334.463	4.628	50	40	EJGB	
CC(/C=N\NC(=O)c1cccc(C(F)(F)F)c1)=C\c1ccccc1	32116822	MHVHHPNOMKMFBP-AZKFBJOYSA-N	332.325	4.525	50	40	EJGB	
CC(C)=NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	42654650	YGRXSYMVFOTISK-UHFFFAOYSA-N	332.856	4.758	50	40	EJGB	
O=C(CCCCl)c1ccc(Br)cc1C(F)(F)F	575362493	QYGFVMOSFFXTMD-UHFFFAOYSA-N	329.543	4.670	50	40	EJGB	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2669604	YIUDRBUTLSAACK-SDNWHVSQSA-N	329.783	4.850	50	40	EJGB	
FC(F)(F)C(F)(F)[C@@H](Cl)[C@H](Cl)C(F)(F)C(F)(F)F	103527231	XGMGQPWNCNDPTP-LWMBPPNESA-N	334.968	4.596	50	40	EJGB	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2669672	RONVQWUJHBGEHY-LQELWAHVSA-N	329.783	4.849	50	40	EJGB	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc2ccccc2s1	255949	RVJGTZVKCZRECE-USFPABIYSA-N	333.372	4.825	50	40	EJGB	
CC/C(=N\NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1	5504644	OVDZORKHZKHXNU-HMMYKYKNSA-N	339.197	4.677	50	40	EJGB	
Cc1csc(/C(C#N)=C/c2csc(-c3ccc(F)cc3)n2)n1	14119847	DDLGHNMLMBLUML-WUXMJOGZSA-N	327.409	4.778	50	40	EJGB	
N#CSc1ccc2c(c1)CCCN2C(=O)Nc1cccc(Cl)c1	3177224	PGKZBEORAVPBOO-UHFFFAOYSA-N	343.839	4.898	50	40	EJGB	
N#C/C(=C/c1ccc(C#N)cc1)c1nc(-c2ccc(F)cc2)cs1	96833420	VOHBGWFXHPJTCJ-SXGWCWSVSA-N	331.375	4.885	50	40	EJGB	
N#C/C(=C\c1ccccc1OC(F)F)c1nc2ccccc2s1	5129877	MWIYRZUAFFBVDL-FMIVXFBMSA-N	328.343	4.962	50	40	EJGB	
Cc1ccc(S/C(Cl)=C(\C#N)NC(=O)c2ccc(C)cc2)cc1	28628362	XOFNAHSMCFHIKX-WUKNDPDISA-N	342.851	4.757	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	33414114	YTLXHEOLRRKZCE-RGEXLXHISA-N	347.462	4.695	50	40	EJGB	
N#CC(C#N)=Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	5446644	JMDHVMLMBPZXOS-UHFFFAOYSA-N	342.185	4.676	50	40	EJGB	
CCOc1cc(/C=C/C#N)cc(Cl)c1OCc1ccccc1F	33699693	DPSOGGUPKRROCU-AATRIKPKSA-N	331.774	4.994	50	40	EJGB	
CC(/C=N/NC(=O)c1cccc(C(F)(F)F)c1)=C\c1ccccc1	12363910	MHVHHPNOMKMFBP-XJDJRJIPSA-N	332.325	4.525	50	40	EJGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1O	408812626	PDKMIYUVRGEYGP-KPKJPENVSA-N	347.201	4.553	50	40	EJGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)O	3145496	OJLQNEQLKAHDHR-VMPITWQZSA-N	341.672	4.610	50	40	EJGB	
Cc1ccsc1/C=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	33921970	JPXAHBGZGILTNF-XXXRSFMGSA-N	340.492	4.608	50	40	EJGB	
C/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccccc2Cl)c(Cl)c1	100035641	DDSLONVJHZPSBB-UVTDQMKNSA-N	347.201	4.954	50	40	EJGB	in-vivo
O=C(CCCCBr)c1ccc(F)cc1C(F)(F)F	575360265	AHRMDWJZKPYMOJ-UHFFFAOYSA-N	327.115	4.592	50	40	EJGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccccc2F)cc1	6714377	AONHHVLCVHCFNM-PEZBUJJGSA-N	331.394	4.747	50	40	EJGB	
CC/C(=N/NC(=O)c1ccc(F)cc1)c1ccc(Cl)c(Cl)c1	34896763	OVDZORKHZKHXNU-HKWRFOASSA-N	339.197	4.677	50	40	EJGB	
O=C/C(=C\Nc1cccc(Cl)c1Cl)c1nc2ccccc2o1	2740271	CTTUURLQLUJURW-CSKARUKUSA-N	333.174	4.787	50	40	EJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(OC)cc1	408582087	LTMFLABGHFHEFZ-XDJHFCHBSA-N	339.394	4.925	50	40	EJGB	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc(OC)c(OC)c2)cc1	4749505	MHNUBTSBQKEIJA-AQTBWJFISA-N	336.435	4.614	50	40	EJGB	
COc1cc(C)c(/C=N/NC(=O)c2cccc(Cl)c2)cc1C(C)C	59147016	IOGSFUMKKVNUNF-SRZZPIQSSA-N	344.842	4.544	50	40	EJGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2cc3ccccc3cc2O)C1	100006848	NBFSKQNISYOHDF-GTOLFZDISA-N	334.419	4.564	50	40	EJGB	
C=CCc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(OC)c1O	408579181	DHQBZDYRLBQMBW-MHWRWJLKSA-N	325.795	4.847	50	40	EJGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(C#N)cc1	409372082	OHIVPNIHGJLPHO-XSFVSMFZSA-N	334.378	4.788	50	40	EJGB	
CCCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)cc1	12792310	MRFUWBUQXMPZEJ-CPNJWEJPSA-N	347.462	4.938	50	40	EJGB	
C/C(Cc1ccccc1)=N\NC(=O)CCSc1ccc(Cl)cc1	20248204	ILVUSLLIBDPCSZ-XSFVSMFZSA-N	346.883	4.557	50	40	EJGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccccc2)c(C)c1	59249214	XFSFRJVSEOWDGM-JXAWBTAJSA-N	341.414	4.640	50	40	EJGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)COc2ccc3ccccc3c2)C1	4507866	ILIAXNQJHKFAJU-QCLNCQLRSA-N	348.446	4.623	50	40	EJGB