smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1cccnc1	48909	WOZMJEMYAGETRK-INIZCTEOSA-N	347.374	2.864	50	50	EFGA	
COc1ccccc1NC(=O)NNC(=O)Nc1ccccc1OC	2167363	PMIWIMRLJDMQBD-UHFFFAOYSA-N	330.344	2.562	50	50	EFGA	
CCOC(=O)/C(C#N)=C\Nc1ccc([N+](=O)[O-])cc1C(F)(F)F	204548623	NCXVDHKIXUHEER-FPLPWBNLSA-N	329.234	2.996	50	50	EFGA	
CC[C@H](Br)C(=O)NCCc1ccc(OC)c(OC)c1	266502	KPRODRKMNJZHPW-NSHDSACASA-N	330.222	2.536	50	50	EFGA	biogenic
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1cccs1	12343203	NMXWDFUSNSRSCX-XMHGGMMESA-N	343.452	2.734	50	50	EFGA	
COc1ccc(OC)c(NC(=O)NNC(=O)c2ccc(C)s2)c1	610245	ZNINDRGRRMWNRV-UHFFFAOYSA-N	335.385	2.540	50	50	EFGA	
CN1CC=C2[C@@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N	33936196	PJKGAOPDWIODDM-RHSMWYFYSA-N	349.825	2.695	50	50	EFGA	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	101131349	SIZDFLLGLIIKCY-XDHOZWIPSA-N	340.339	2.729	50	50	EFGA	
O=C(N/N=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1cccnc1	4631377	FOAWUVASPNRYTH-JMIUGGIZSA-N	325.759	2.889	50	50	EFGA	
Cn1c(=NNC(=O)Nc2ccccc2)sc2cc(C(=O)O)ccc21	252679723	QILINMVGPVFTSD-UHFFFAOYSA-N	342.380	2.575	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCC3)cc1	5072721	FRSPMMKQMYCXDR-XDHOZWIPSA-N	325.416	2.509	50	50	EFGA	
NNC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1	263640110	XXOQZAJYOHFUEN-UHFFFAOYSA-N	345.708	2.936	50	50	EFGA	
O=C(COc1ccccc1)N/N=C/c1ccccc1Br	438214	RJMOBTMQMALOGJ-LICLKQGHSA-N	333.185	2.978	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OCC)cc1	43570	GMGFTZKDXQGKCR-INIZCTEOSA-N	328.368	2.730	50	50	EFGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)s1	371305	ZDSPVAXQGZJHJW-VIZOYTHASA-N	339.760	2.839	50	50	EFGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)[C@H]1COc2ccccc2O1	192753	DOWSORIDOINJND-GWJWUGQSSA-N	348.358	2.836	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2cccc(C)c2)ccc1OC(C)=O	288250	VUIAWEIWKMKBOE-YBFXNURJSA-N	326.352	2.693	50	50	EFGA	
CC(C)=NNC(=O)c1ccn(COc2c(F)c(F)cc(F)c2F)n1	6317792	QFXMFHVPOXTYFT-UHFFFAOYSA-N	344.268	2.602	50	50	EFGA	
O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1	448722	NSXWIXTYZQCRNG-OFJBCHTGSA-N	346.390	2.671	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1	293466	GJQZAFNFAUNHPZ-HNNXBMFYSA-N	328.368	2.730	50	50	EFGA	
O=C1O[C@H]2[C@H]3C[C@@H]([C@@H](c4ccccc4)[C@H]13)[C@H]2I	254393368	HSYRRILDTLPLIV-WTHWOGDNSA-N	340.160	2.765	50	50	EFGA	
O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1nnc(O)c2ccccc12	1875254066	INPXSUSWMXBGGW-DLJMOMKGSA-N	336.395	2.877	50	50	EFGA	
C[C@@H](Cl)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1	1875364966	ZUKAUIZMNABXGR-SECBINFHSA-N	335.757	2.813	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)o1	73180	PDORJWLWJDLPGF-RQZCQDPDSA-N	339.311	2.650	50	50	EFGA	
CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	2532737	KOXMPKKZTIHEEH-GZTJUZNOSA-N	326.377	2.983	50	50	EFGA	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2	273750	KZHUCPAYQDPBSZ-GOSISDBHSA-N	343.390	2.853	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1	1875376005	LPLZBMWJAOEOAS-JMCQJSRRSA-N	337.729	2.607	50	50	EFGA	
O=C(O)c1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1	32565746	XZMYLPYGMIJSHJ-MFOYZWKCSA-N	347.168	2.911	50	50	EFGA	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c[nH]c3ccccc23)n1	186486	XVLDHJYUTBLCEH-DJKKODMXSA-N	339.424	2.817	50	50	EFGA	
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(B(O)O)c1	169744453	FJKZWRAFJRWIMR-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	447385	KBDFYYMRHRBHJP-GIJQJNRQSA-N	332.743	2.567	50	50	EFGA	
O=C(N/N=C/c1cccc(O)c1)C(=O)Nc1cccc2ccccc12	4283534	DYMUVCDVYKCKCV-UDWIEESQSA-N	333.347	2.634	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1	1875377892	QKRMMEQUJCRLPU-KOLCDFICSA-N	339.773	2.887	50	50	EFGA	
CC(C)(C)OC(=O)NCCc1ccc(CNC(=O)CCl)cc1	1319923685	WVJGFYKMOURJJE-UHFFFAOYSA-N	326.824	2.609	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)cc1	181296	MKPWOBWCKUBLTF-FVUPAENESA-N	336.395	2.831	50	50	EFGA	
COC(=O)c1ccccc1NC=C(C#N)C(=O)NCc1ccccc1	2049463222	HMNTYVBFSKXHEF-UHFFFAOYSA-N	335.363	2.609	50	50	EFGA	
COc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1	299062	CVCBNWIZZQWSEQ-UHFFFAOYSA-N	349.184	2.533	50	50	EFGA	
C[C@](O)(C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	298500	HRPZMZNVCSLUMH-YCPFAOKUSA-N	347.212	2.807	50	50	EFGA	
CC(C)Oc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1	615827	OFLRXKBALPPAAB-UHFFFAOYSA-N	343.452	2.783	50	50	EFGA	
N#C/C(=C/c1cc(Br)cs1)C(=O)NC[C@H]1CCCO1	13124937	BDAPDBDCDFZJJM-KSHIFHCESA-N	341.230	2.713	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1	1875377887	QJJLLZCVWJMLAL-CMPLNLGQSA-N	337.811	2.541	50	50	EFGA	
COC(=O)c1ccc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1	102683979	FCMAGWXZVIREQF-UVTDQMKNSA-N	331.331	2.774	50	50	EFGA	
C[C@H](Br)c1nc(N)nc(N2CCCc3ccccc32)n1	1431538	LTTHZXWPAXRGQE-VIFPVBQESA-N	334.221	2.994	50	50	EFGA	
CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)Cl)cn1	1875375607	FUDMIQHFFZUUFA-XJKSGUPXSA-N	335.835	2.593	50	50	EFGA	
CC(C)(CNC(=O)OCc1ccccc1)NNC(=O)OC(C)(C)C	114464513	WKGPQOZWAHTWTM-UHFFFAOYSA-N	337.420	2.721	50	50	EFGA	in-vitro
O=C(N/N=C/c1ccc(Br)s1)c1ccc(O)cc1	288536	QPLPFLSMJHDMPG-VGOFMYFVSA-N	325.187	2.980	50	50	EFGA	
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)[C@H](O)c1ccccc1	12343067	KZJBSZPXXBGTGL-VRKDBZRQSA-N	338.363	2.654	50	50	EFGA	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1	8568147	YJNRSCUAVMMKAC-OAHLLOKOSA-N	345.362	2.698	50	50	EFGA	
O=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(F)cc1	6244353	OUZKYHWZWDOLRB-UHFFFAOYSA-N	329.356	2.753	50	50	EFGA	
COc1ccc(C(=O)/C=C/NNC(=O)c2ccc(Cl)cc2)cc1	96170683	YHYJVCWQFZBUIQ-ZHACJKMWSA-N	330.771	2.980	50	50	EFGA	
COc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2C)cc1OC	358250	UZZRGRJLONAQOL-SRZZPIQSSA-N	341.411	2.883	50	50	EFGA	
NNC(=O)c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1	12958479	RKPYDZVMSQNRMZ-UHFFFAOYSA-N	338.314	2.981	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1OC	12343178	HMKALECSZOPDIM-YBFXNURJSA-N	344.415	2.878	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)ccc1O	5686467	KEAUPEMETBQEAY-VCHYOVAHSA-N	340.339	2.538	50	50	EFGA	
CC1=NNC(=O)[C@H]1CCC(=O)N/N=C(\C)c1ccc2ccccc2c1	100064786	JYYHTONHUOIHPR-RONKMWSCSA-N	336.395	2.582	50	50	EFGA	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1O	80907	IBVMUMWNRFHSEI-DJKKODMXSA-N	348.786	2.892	50	50	EFGA	
CCc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1	59898	BGPKTQHEOSJNOL-VYVDHXHBSA-N	335.407	2.752	50	50	EFGA	
Cc1cc(C)c2c3c(sc2n1)C1(CCN(C)CC1)C(C#N)=C(N)O3	4593901	KWFARPPNUAYWOV-UHFFFAOYSA-N	340.452	2.963	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1	20458763	KTAHSMRHFRKCBY-SJORKVTESA-N	349.463	2.882	50	50	EFGA	
O=C(N/N=C/c1ccccc1O)C(=O)Nc1cccc2ccccc12	3060009	DGBLGMSQHFFUQZ-UDWIEESQSA-N	333.347	2.634	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1	5686334	OTOBRVPDCVIOMJ-XDHOZWIPSA-N	325.416	2.897	50	50	EFGA	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1Br	5731674	UKMYCEJUPXXRRQ-UHFFFAOYSA-N	344.168	2.535	50	50	EFGA	
O=C(N/N=C\c1cccc(Cl)c1)c1ccc(Cn2cccn2)o1	32573613	PDFMWEPABOYSOO-ZDLGFXPLSA-N	328.759	2.942	50	50	EFGA	
COc1ccc(C(=O)N[C@H](O)C(Cl)(Cl)[C@H](C)Cl)cc1	374220	OXPMRRJSHGGVKA-WRWORJQWSA-N	326.607	2.545	50	50	EFGA	
COCc1n[nH]c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	5044919	OWFZDMNTXFSBGZ-LLVKDONJSA-N	334.738	2.567	50	50	EFGA	
Cc1nn(C)c(NNC(=O)c2cc(C3CC3)nc3ccccc23)c1C#N	1875344469	FBZMKDWNPBQXCN-UHFFFAOYSA-N	346.394	2.783	50	50	EFGA	
COCc1cc(/C=N\NC(=O)c2cccc(OC)c2)ccc1OC	32573610	UGMBESNGIHJPFR-ODLFYWEKSA-N	328.368	2.614	50	50	EFGA	
O=C(N/N=C\c1cccnc1)[C@@H]1COc2cc3ccccc3cc2O1	32614470	MIIGLTHHSZPJQO-DUQUIBLKSA-N	333.347	2.525	50	50	EFGA	
COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCSSCC1	952874680	YMFVJHHZGAQUAS-UHFFFAOYSA-N	329.403	2.832	50	50	EFGA	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1c(F)cccc1Cl	32919336	LRWKEWCMOAQDGS-GFCCVEGCSA-N	347.173	2.889	50	50	EFGA	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Br)o1	290483	RRFFYTHKGKKIJK-GIDUJCDVSA-N	337.129	2.535	50	50	EFGA	
O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccc2c(c1)OCO2	5020988	PWPGKEDBTYHULW-ZBJSNUHESA-N	345.358	2.993	50	50	EFGA	
O=C(CCc1ccccc1)NCC(=O)N/N=C/C=C/c1ccccc1	2894516	UPYCQZYCMGJNDG-GIDDJLOASA-N	335.407	2.551	50	50	EFGA	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2)c1	17067973	ZPJWOFVVFFJJBU-LBPRGKRZSA-N	331.347	2.754	50	50	EFGA	
CCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1	2388554	WKQPHMMEJGZEKG-XDHOZWIPSA-N	328.368	2.954	50	50	EFGA	
COc1ccc(OCC(=O)NNC(=O)Nc2cc(C)cc(C)c2)cc1	17071659	AJELSHVIJVKYBY-UHFFFAOYSA-N	343.383	2.544	50	50	EFGA	
C/C(=N/NC(=O)CNc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	13476902	QCTXZHYVDVHURA-UYRXBGFRSA-N	326.356	2.856	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3O)[nH]n2)cc1	381592	IFRXYTRRHFKACS-VXLYETTFSA-N	336.351	2.560	50	50	EFGA	
O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1cccnc1	13519472	OZPCIOGSFDQCFG-UHFFFAOYSA-N	340.330	2.732	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1O	2878948	GXGQHOOFGYSNPX-UDWIEESQSA-N	340.379	2.902	50	50	EFGA	
CC[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	317730842	FVTKGSGBTUJEFT-NEPJUHHUSA-N	349.449	2.592	50	50	EFGA	
CCn1cc(/C(C)=N/NC(=O)c2ccc(Br)o2)c(C)n1	5878925	TUEOUFDOTLKFSU-OVCLIPMQSA-N	339.193	2.721	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1O	262518	VBVSDPCRABCUMB-WOJGMQOQSA-N	325.324	2.793	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1	1875377602	IFFUXVORZXMZHS-GMSGAONNSA-N	332.713	2.656	50	50	EFGA	
Cn1ccnc1-c1noc([C@@]2(c3ccccc3)C[C@@H]2Br)n1	1775993312	PSLRVCZGDGECNW-XHDPSFHLSA-N	345.200	2.923	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(C)c1	242086	WNLMJZWVGZHDPP-INIZCTEOSA-N	328.368	2.648	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1	1875364587	XFVJFFYJQGNGDW-VXGBXAGGSA-N	343.254	2.569	50	50	EFGA	
COCc1ccccc1CN(C(=O)CCl)[C@@H](C)[C@H]1CCCO1	1875382652	KYOPZKSSXAUIJW-XJKSGUPXSA-N	325.836	2.968	50	50	EFGA	
COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cccc(F)c2)cc1	6493629	UPOZPOUNFDDDBQ-SRZZPIQSSA-N	338.342	2.988	50	50	EFGA	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@@H](c4cccs4)[C@@H]3[C@H]1CC2	239425730	VCWFGDAOTFYHFQ-OFIKQIQMSA-N	347.447	2.634	50	50	EFGA	
O=C(N/N=C/c1ccccc1Br)c1ccc(O)cc1O	4360477	LBJWHIHAVPQINB-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(F)cc1	59277	ARRQSRJPEYXEIF-GIJQJNRQSA-N	328.372	2.944	50	50	EFGA	
O=C(O)CCSSCCNC(=O)c1cncc(C(F)F)c1	1875361933	IRMBSQBMSNCXCI-UHFFFAOYSA-N	336.385	2.605	50	50	EFGA	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccccc1Cl	289387	YJPZJBCVIVMPOQ-RQZCQDPDSA-N	333.731	2.777	50	50	EFGA	
CCN(CC)c1nc(=O)c2cc(NC(=O)[C@@H](F)Cl)ccc2s1	2325901723	VQCOHZFOYTVABI-LLVKDONJSA-N	343.811	2.976	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)CCn1cnc2ccccc21	181252	KNVLBHGKHLWUDO-FYJGNVAPSA-N	336.395	2.975	50	50	EFGA	
CCn1ncc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)n1	1875375339	ACGTYTZCLCAFFL-UHFFFAOYSA-N	327.215	2.719	50	50	EFGA	
O=C1C[C@]2(CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)CN1	170643644	MFWKADQPRBLIQI-CZUORRHYSA-N	342.530	2.829	50	50	EFGA	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)s2)CC(=O)N1	178140	IVACVBDVLXOAKB-SNVBAGLBSA-N	336.438	2.692	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1coc2ccccc2c1=O	283082	GRDDWDORZKEPKQ-INIZCTEOSA-N	334.331	2.608	50	50	EFGA	
CO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1	5023109	ZEKJGXCVUBRMBX-VKHKGHAUSA-N	337.423	2.765	50	50	EFGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1O	4366437	MAPNYHDMIVWKGG-VSMYLPJWSA-N	348.786	2.972	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C\c3cccc(O)c3)[nH]n2)cc1	32614600	VGRGBWWVVHTABU-ODLFYWEKSA-N	336.351	2.555	50	50	EFGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1	4372711	WZURKMAZYFMYGR-YBFXNURJSA-N	328.368	2.579	50	50	EFGA	
COc1cccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2)c1	5612691	LQRVWQJGURKUGT-DEDYPNTBSA-N	325.368	2.830	50	50	EFGA	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1cccc([N+](=O)[O-])c1	433389	QFYOPZBVQFXNQQ-REZTVBANSA-N	347.714	2.741	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1	293468	GJQZAFNFAUNHPZ-OAHLLOKOSA-N	328.368	2.730	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1O	2097548	GPZXJWHMYOFXOC-UDWIEESQSA-N	337.379	2.518	50	50	EFGA	
CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Cl	281689	ROFXXCJKXJRTHF-UHFFFAOYSA-N	327.789	2.978	50	50	EFGA	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)c1	2571764	XKTVDACWEATPNJ-DEDYPNTBSA-N	337.379	2.649	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c(C)c1	4209551	MRUXYOARHWSQIP-UFFVCSGVSA-N	343.814	2.837	50	50	EFGA	
O=C(N/N=C/c1ccc(OC(F)F)cc1)[C@@H]1COc2ccccc2O1	5739322	USPSDMHMUIDITG-FULVDIRDSA-N	348.305	2.578	50	50	EFGA	
Cc1c(C(=O)NNc2ccc(F)cc2)nnn1Cc1ccc(F)cc1	195387089	XHNADTXQIPEWHR-UHFFFAOYSA-N	343.337	2.670	50	50	EFGA	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(Br)cc1	297830	XXZTVSXSLXOKNS-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)nc2c1	4519664	FKPDLOKDYPBOAW-ZROIWOOFSA-N	332.363	2.800	50	50	EFGA	
COc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1	4534471	DWSNSDBYDGRTNU-XDHOZWIPSA-N	328.368	2.866	50	50	EFGA	
Cc1ccc(C)c2[nH]c(C(=O)NNC(=O)NCc3ccco3)cc12	2325879630	BIZJRQZLTWYKQD-UHFFFAOYSA-N	326.356	2.522	50	50	EFGA	
O=C(Nc1ccc(Br)cc1-c1nc[nH]n1)[C@@H](F)Cl	2325898448	CYYSXRAEZITNCW-MRVPVSSYSA-N	333.548	2.707	50	50	EFGA	
O=C(CCc1ccccc1)NNC(=S)NCc1ccc(Cl)cc1	6829452	VWXNDAUGFVJILB-UHFFFAOYSA-N	347.871	2.968	50	50	EFGA	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1	433973	HNTRUBDIXVNPDI-UHFFFAOYSA-N	333.731	2.535	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])s1	370976	NHZNCBVXOIJGAD-LKBVRNOZSA-N	333.369	2.882	50	50	EFGA	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)C[C@@H](C)O1	229568546	JSFCHCKXDLXVBV-LBKJDUGFSA-N	336.338	2.831	50	50	EFGA	
Cc1cccc(O[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	117836	PQFYZDDWOCBJBU-BUESGFEBSA-N	326.352	2.641	50	50	EFGA	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@H]1COc2ccccc2O1	291203	MWVCFXCVAWYSMB-SVYXSEEQSA-N	335.363	2.766	50	50	EFGA	
NNC(=O)c1cc(-c2cccc(OCc3ccccc3Cl)c2)n[nH]1	392119	CNMXESBPTBVBQM-UHFFFAOYSA-N	342.786	2.913	50	50	EFGA	
O=S(=O)(c1ccccc1)N1[C@H]2CC=C[C@@H](Br)CC[C@H]21	101137714	HQSWHQYJVQENOD-GVCFFYALSA-N	342.258	2.932	50	50	EFGA	
O=C(N/N=C/c1cccc(OC(=O)c2ccco2)c1)c1ccncc1	221250	DTCVQDQWIWZUAQ-UDWIEESQSA-N	335.319	2.658	50	50	EFGA	
CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c1C	6961173	BDHBROSVMHSCSS-NTUHNPAUSA-N	338.367	2.794	50	50	EFGA	
COc1ccc(CC(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)cc1	20158323	YVDDMNUSGYDKBU-PXLXIMEGSA-N	348.406	2.964	50	50	EFGA	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2ccco2)c1Cl	19327994	FOFKDTUZBHUEHH-AYSLTRBKSA-N	333.562	2.981	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	1875377658	KIGBLCAHMXVJCD-ONGXEEELSA-N	348.752	2.550	50	50	EFGA	
Cc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc2ccccc12	4992229	LCLBCDAOJLQBNK-UHFFFAOYSA-N	347.374	2.548	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1	6493628	NMSGGIVKACQPBV-SNVBAGLBSA-N	336.273	2.655	50	50	EFGA	
Cc1ccc2c(c1)/C(=N/NC(=O)c1cc3ccccc3cc1O)C(=O)N2	6556933	ZAVKXOJOCGLGFH-UHFFFAOYSA-N	345.358	2.940	50	50	EFGA	
COc1ccc(/C=N\NC(=O)c2cncc(Br)c2)cc1	32666343	AJAINZKUPWNSMG-IDUWFGFVSA-N	334.173	2.617	50	50	EFGA	
F[C@@H]1C[C@H]2[C@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F	245236151	QETLGKWBLPLOEM-QTBDOELSSA-N	330.041	2.943	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3C=CCCC3)[C@H]2C1	252427675	BITFYVBSUMUQPK-FHLIZLRMSA-N	333.439	2.621	50	50	EFGA	
O=C(N/N=C/c1cccnc1)c1ccn(Cc2ccc(Cl)cc2)n1	435162	NTWDHDBBBZEWKT-RGVLZGJSSA-N	339.786	2.744	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1	13635654	GMANWMMPLFOLIP-WBVHZDCISA-N	349.463	2.883	50	50	EFGA	
Cc1ccc(S(=O)(=O)NNC(=O)Nc2cccc(C)c2C)c(C)c1	15933797	LJYLHAAMDAHTTE-UHFFFAOYSA-N	347.440	2.935	50	50	EFGA	
CC(C)c1coc([C@@H]2CCCN2S(=O)(=O)CBr)n1	1775990907	GHQJZAWQEYNJBN-JTQLQIEISA-N	337.239	2.617	50	50	EFGA	
CCc1n[nH]c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	1004517	DQEHOBBJWPEJDS-GFCCVEGCSA-N	345.200	2.953	50	50	EFGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@@]23N=NN(c4ccccc4)[C@@]12[C@H]1C=C[C@H]3C1	254730156	OMGGDHZFRGBBHT-HRLOVOAOSA-N	347.374	2.523	50	50	EFGA	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cc(N)cc([N+](=O)[O-])c1	1875390458	KEYBWBUMGOQNDB-UPUBPREISA-N	328.372	2.885	50	50	EFGA	
CN(NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)c1ccccc1	2760711	UCOMCRPKRPSYAM-UHFFFAOYSA-N	338.333	2.947	50	50	EFGA	
Cc1cc(C(=O)N/N=C/C=C/c2ccc(Br)cc2)[nH]n1	18106699	CDFCCAVEZHDEEW-MOEFMSLSSA-N	333.189	2.910	50	50	EFGA	
CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1	242264	VXRLETULDNPZPI-DYZYQPBXSA-N	337.379	2.706	50	50	EFGA	
CC(C)(C)[Si](C)(C)OC1(CN2CCC[C@@H]2C(N)=O)CCOCC1	952993255	SWIHRUQZXFUPFT-CQSZACIVSA-N	342.556	2.507	50	50	EFGA	
C[C@H](Cl)C(=O)N1CC[C@@](c2nc(C3CC3)no2)(C(F)(F)F)C1	1875376006	LPLZBMWJAOEOAS-JVXZTZIISA-N	337.729	2.607	50	50	EFGA	
NC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccc(Cl)cc2)cc1	1480451	QAZLGFJNCSDDIM-CEWXCCTESA-N	343.770	2.961	50	50	EFGA	
COc1ccc(CNC(=O)[C@H](C)Cl)cc1COC1CCOCC1	1875364857	WLNWUTSPTFQMOI-LBPRGKRZSA-N	341.835	2.634	50	50	EFGA	
O=C(O)COc1ccccc1C=NNC(=O)c1cc2ccccc2o1	252678637	GRGKQNBXRKYZAT-UHFFFAOYSA-N	338.319	2.660	50	50	EFGA	
CCc1c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)csc1C	612300	FHBXNJICPJYFKE-UHFFFAOYSA-N	347.396	2.814	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1	1875377603	IFFUXVORZXMZHS-OIBJUYFYSA-N	332.713	2.656	50	50	EFGA	
C=CCOc1ccc(C(=O)NCCSSCCC(=O)O)cc1	1875388529	FRTBXZFWHLQEMZ-UHFFFAOYSA-N	341.454	2.837	50	50	EFGA	
COc1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)cc1Br	4494511	SBFVJYGJTGSBRU-RUDMXATFSA-N	344.172	2.699	50	50	EFGA	
CC(C)(C)c1ccc(/C=N\NC(=O)Cn2nnc3ccccc32)cc1	32617937	NYNUSOJZBNDDPL-NDENLUEZSA-N	335.411	2.879	50	50	EFGA	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccco2)c(OC)c1	121160	FZSNFBQRQPQTHJ-UKTHLTGXSA-N	341.319	2.977	50	50	EFGA	
Cc1ccc2c(c1)[C@@H](NC(=O)c1c(C)nn(CCCl)c1C)CO2	156368913	LCHJXXGOPQBDLM-AWEZNQCLSA-N	333.819	2.911	50	50	EFGA	
O=C(COc1ccc2c(c1)CCC2)NNC(=S)Nc1ccccc1	6644188	BUQRFRHCBXMWQJ-UHFFFAOYSA-N	341.436	2.572	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)COc1ccc([N+](=O)[O-])cc1	588361	LERUXRSZTMSUKL-WOJGMQOQSA-N	343.339	2.523	50	50	EFGA	
O=C(N/N=C/c1cccc(Br)c1)c1cc(C2CC2)n[nH]1	16957045	HIDGOHALYWFDBM-LZYBPNLTSA-N	333.189	2.814	50	50	EFGA	
Cc1c(/C=N/NC(=O)[C@H]2COc3ccccc3O2)c2ccccc2n1C	291197	TUSBBMMXOROXIT-GWJWUGQSSA-N	349.390	2.777	50	50	EFGA	
C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccco1	1453459	PDVPTRFSCXKPCR-JSJZUPIVSA-N	337.173	2.960	50	50	EFGA	
Cc1[nH]nc2c1[C@@H](c1cccc(Br)c1)C(C#N)=C(N)O2	4730341	HYKBOZYVHLSPFW-LBPRGKRZSA-N	331.173	2.699	50	50	EFGA	
Cc1c(NC=C(C#N)C(=O)C(C)(C)C)c(=O)n(-c2ccccc2)n1C	2040751263	UNYZFCCPTZWCMZ-UHFFFAOYSA-N	338.411	2.919	50	50	EFGA	
O=C(O)CCSSCCNC(=O)[C@H]1CCCCC1(F)F	1875388939	WCCBXJAOAYZVFL-SECBINFHSA-N	327.418	2.784	50	50	EFGA	
COc1cccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)c1	8568162	WEJVTTGBPDLQIY-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	5072942	DWABALPNPFZCMT-LLVKDONJSA-N	349.177	2.603	50	50	EFGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccncc1	59271	VRRQHGIJNORDET-RQZCQDPDSA-N	328.422	2.934	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccncc1	5068013	YSEHYWNTDXEUNB-AWEZNQCLSA-N	333.326	2.829	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)COc2ccccc2Br)o1	437094	BRKHRWYQGXAQAX-LZYBPNLTSA-N	337.173	2.880	50	50	EFGA	
Cn1cccc1CNC(=O)[C@]1(c2ccccc2)C[C@H]1Br	1148114252	SFTXZPYELPTBRB-ZBFHGGJFSA-N	333.229	2.747	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccccc1F	91443	XWGDOSVVASYLQE-CQSZACIVSA-N	333.326	2.829	50	50	EFGA	
CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(S(C)(=O)=O)cn1	408524263	RPHPWAKGZOGYSA-UHFFFAOYSA-N	344.553	2.943	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C/c1cccc2ccccc12	228855	GQXZIYSHVNUHPT-UDWIEESQSA-N	329.363	2.735	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1	264651	ASYAMYRGLSBCNF-CIAFOILYSA-N	346.390	2.948	50	50	EFGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1	4347370	HVODOYJSCBFRTH-UDWIEESQSA-N	333.347	2.634	50	50	EFGA	
COc1ccc(Cl)cc1C1(CNC(=O)CCl)CCOCC1	1875364055	HSQFJYDJHKDPEO-UHFFFAOYSA-N	332.227	2.752	50	50	EFGA	
CC[C@H](Nc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36047254	MDMMBRFXLBZKSU-LZNAANCOSA-N	342.355	2.641	50	50	EFGA	
C[C@@](O)(C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	298501	HRPZMZNVCSLUMH-GYKGCMEESA-N	347.212	2.807	50	50	EFGA	
N#C/C(=C\c1ccccc1)C(=O)Nc1sc2c(c1C(N)=O)CCC2	104187	PNVNLLQXFCBSLC-FMIVXFBMSA-N	337.404	2.881	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	1875377655	KIGBLCAHMXVJCD-GXSJLCMTSA-N	348.752	2.550	50	50	EFGA	
O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccccc1	2553770	DWYJNCYMFXRMOW-LICLKQGHSA-N	346.184	2.538	50	50	EFGA	
Cc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)C(C)C)cc1	528424	VOIHDXKHBHWIPG-UHFFFAOYSA-N	339.395	2.664	50	50	EFGA	
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(B(O)O)c(Cl)c1	169744436	NCXPZQHPLDXEMD-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/C=C/c1ccccc1	1878158	VFTPMGANFMNFBN-HJETYCPDSA-N	341.798	2.885	50	50	EFGA	
CN(CCCl)Cc1cc(Cl)c(N=C2NCCN2)c(Cl)c1	27089957	XFDVJGKSQRUEEM-UHFFFAOYSA-N	335.666	2.844	50	50	EFGA	biogenic,in-vivo
CCOc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCCC3)cc1	4033885	RTSAKAHNILCYCY-XDHOZWIPSA-N	326.400	2.841	50	50	EFGA	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccccc1F	58567	JKDLUVYQBOMYLJ-CYBMUJFWSA-N	336.750	2.689	50	50	EFGA	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1	261326	WWVIDXSAHMRUCB-LICLKQGHSA-N	333.185	2.978	50	50	EFGA	
COc1cc(Cl)cc(/C=N\NC(=O)CNc2ccc(C)cc2)c1O	16667748	VMDFULOKGMKTKC-UKWGHVSLSA-N	347.802	2.925	50	50	EFGA	
CCN(CC)c1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1	621468	DEHXGPAQOKIAIP-UHFFFAOYSA-N	348.516	2.974	50	50	EFGA	
COC(=O)N1[C@@]2(C)C[C@H](Br)[C@@H](Br)C[C@@]12C	216341508	YTEVIEXXRRVNPO-BDLMXSFLSA-N	341.043	2.907	50	50	EFGA	
CCCN1CCN([C@@H](C)CCCN(C(=O)[C@H](C)Cl)C2CC2)CC1	1875364210	ITBBPHQEHVGSPG-HOTGVXAUSA-N	343.943	2.801	50	50	EFGA	
COc1ccc(-c2cc(C(=O)NN)c3cc(C)ccc3n2)cc1OC	6279204	PGOLRWHNPYRBAP-UHFFFAOYSA-N	337.379	2.831	50	50	EFGA	
O=C(CCl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	20246964	KLIHROVAEIKGPP-UHFFFAOYSA-N	342.148	2.641	50	50	EFGA	
C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1O	13619138	NPBDANNRNRJDFS-LICLKQGHSA-N	326.381	2.998	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1	20792377	JXBPZGRQWCDKGJ-WBVHZDCISA-N	349.825	2.695	50	50	EFGA	
C[C@@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc2ccccc2c1	176149908	IPUXLNZOELKMRM-CQSZACIVSA-N	348.406	2.869	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1cccc(F)c1	91226	MPOYZPAHBAUJHP-AWEZNQCLSA-N	333.326	2.829	50	50	EFGA	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(-n2cccc2)cc1	2801161	XMTXOCDHGDFKOH-UDWIEESQSA-N	333.347	2.970	50	50	EFGA	
COC(=O)N1[C@]2(C)C[C@H](Br)[C@@H](Br)C[C@@]12C	216341549	YTEVIEXXRRVNPO-AKEJEFCPSA-N	341.043	2.907	50	50	EFGA	
C=CCOc1ccc(C(=O)N/N=C/c2ccc(C(=O)OC)cc2)cc1	1776111409	UUWYVEZNKMCXAK-DEDYPNTBSA-N	338.363	2.802	50	50	EFGA	
CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1ccc(F)cc1	2544121	UXGMESYIDVJZOB-LJWIEMNISA-N	339.370	2.761	50	50	EFGA	
CCc1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2n1	6519544	GTOBEYWCECSVAE-UHFFFAOYSA-N	344.374	2.883	50	50	EFGA	
O=C(N/N=C(\c1ccccc1)c1ccncc1)c1cc(O)ccc1O	13322205	JZFBYNDQKVGVCO-DYTRJAOYSA-N	333.347	2.675	50	50	EFGA	
O=C(CNc1ccc2c(c1)OCO2)N/N=C\c1ccccc1Cl	32632332	GXBOYODLZPSARC-UWVJOHFNSA-N	331.759	2.631	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(C)c1C	283220	ZBNFARVBNHLTES-QGZVFWFLSA-N	342.395	2.957	50	50	EFGA	
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccncc1	13115005	FXOYCSNHVKWTTR-RGVLZGJSSA-N	325.397	2.590	50	50	EFGA	
COc1ccc(Br)cc1C(=O)NNC(=O)c1ccccc1	1074622	PCNLCHMURIAATD-UHFFFAOYSA-N	349.184	2.533	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1	4730682	GMANWMMPLFOLIP-RDJZCZTQSA-N	349.463	2.883	50	50	EFGA	
O=C(CCl)NC1CCN(C(=O)c2ccccc2C(F)(F)F)CC1	169897332	IGECSKLICOVJQY-UHFFFAOYSA-N	348.752	2.665	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CC(C)(C)CC2=O	74954	LDPUYGQQFCGHDS-QGZVFWFLSA-N	336.439	2.899	50	50	EFGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1	2025216	VKYIVTHZXVEGFY-YBFXNURJSA-N	345.786	2.828	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(C)c1C	242242	ZZUFAMKOEJXFIL-INIZCTEOSA-N	338.363	2.792	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)c2ccc3nc[nH]c3c2)cc1OC	4937250	ZURMMBDGSWSKPT-SRZZPIQSSA-N	338.367	2.734	50	50	EFGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	2572296	CYHLNEJDSABVGY-YBFXNURJSA-N	329.787	2.991	50	50	EFGA	
Cc1cc2occ(CC(=O)NNC(=O)c3ccncc3)c2cc1Cl	4867008	TUEPXHQVRQERNI-UHFFFAOYSA-N	343.770	2.793	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)c2cncc(Br)c2)c(O)c1	289437	VFTVJPRRKWPTKH-REZTVBANSA-N	334.173	2.622	50	50	EFGA	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	261399	DWMIBBDDJJNOJZ-RQZCQDPDSA-N	333.731	2.777	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1	1875376007	LPLZBMWJAOEOAS-KRTXAFLBSA-N	337.729	2.607	50	50	EFGA	
CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	82671	PBQHEXMVBUKVQA-LBPRGKRZSA-N	339.355	2.834	50	50	EFGA	
O=C(CN1CCCCCC1)N/N=C/c1cc(Br)cs1	4990565	NBODJSOWLCUPBF-OVCLIPMQSA-N	344.278	2.837	50	50	EFGA	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(-c2cccs2)n[nH]1	71805	WORGPHGUOBZZKG-CXUHLZMHSA-N	341.352	2.810	50	50	EFGA	
COc1ccc(C2(C(=O)NNc3cccnn3)CC3(CCC3)C2)cc1	367741093	QZXMFYSARASOLW-UHFFFAOYSA-N	338.411	2.830	50	50	EFGA	
CCn1ncc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C	19840794	VJAJPRLYWXWDJL-WMLDXEAASA-N	332.411	2.805	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(C)c1	242083	WNLMJZWVGZHDPP-MRXNPFEDSA-N	328.368	2.648	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1OC	283258	REHSNYKEPSYMGR-OAHLLOKOSA-N	328.368	2.730	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1F	240795	ZSSDFHYWYJZLIB-AWEZNQCLSA-N	334.322	3.000	50	50	EFGA	
C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(N(C)C)cc1	5570381	FQTOIDBJOZEFFX-HJGVYBFFSA-N	349.438	2.889	50	50	EFGA	
Cn1[nH]c(=NC(=O)NNc2ccc(F)cc2Cl)cc1C(F)F	1875313904	XGVVEZDVRVGABS-UHFFFAOYSA-N	333.701	2.721	50	50	EFGA	
O=C(N/N=C/c1ccccc1O)c1n[nH]c2c1CCc1ccccc1-2	6694732	BTRXRUGJPYLUIB-RGVLZGJSSA-N	332.363	2.645	50	50	EFGA	
CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@H](C)Cl)cc1	1875364272	MWPBPRXZQQIZQH-QWHCGFSZSA-N	340.851	2.786	50	50	EFGA	
CC(C)(C)c1csc(CC2(O)CCN(C(=O)[C@@H](F)Cl)CC2)n1	2325898734	XSJJLLXSOYULML-GFCCVEGCSA-N	348.871	2.871	50	50	EFGA	
CC1=NNC(=O)[C@@H]1CCC(=O)N/N=C(\C)c1ccc2ccccc2c1	100064791	JYYHTONHUOIHPR-XNHPLOEXSA-N	336.395	2.582	50	50	EFGA	
Cc1nn(C)c(NNC(=O)c2ccc(F)cc2C(F)(F)F)c1C#N	1875349897	RQGBGXBFDAPTKP-UHFFFAOYSA-N	341.268	2.515	50	50	EFGA	
O=S(=O)(O)c1ccccc1P(c1ccccc1)c1ccccc1	100534898	HXVJDHROZFWXHT-UHFFFAOYSA-N	342.356	2.692	50	50	EFGA	
CCc1nnc(NS(=O)(=O)c2ccc(N=C=S)cc2)s1	63772514	FQXOHWUHHKQIOG-UHFFFAOYSA-N	326.428	2.636	50	50	EFGA	
BrCc1nc(Br)cc(Br)n1	216713489	GHSWTGRZCCFPJB-UHFFFAOYSA-N	330.805	2.897	50	50	EFGA	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1	4927995	RDMRBJXNUHJYGK-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
O=C(Nc1ccc2ncn(-c3cccc(O)c3)c(=O)c2c1)[C@@H](F)Cl	2325898217	XFPVPTMFHHPFRN-CQSZACIVSA-N	347.733	2.564	50	50	EFGA	
Cc1ccc(OCC(=O)NNC(=O)Cc2ccc(Cl)cc2)c(C)c1	2820104	GKCYCFFQCUWJAK-UHFFFAOYSA-N	346.814	2.726	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)c(OC)cc1C	293111	BHRGXTXJWUGAND-QGZVFWFLSA-N	342.395	2.957	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(F)c(F)c1	293504	VHDHTFQERUSLIM-AWEZNQCLSA-N	334.322	3.000	50	50	EFGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2nc(C)cc(C)n2)cc1	2562018	XKYDQKAVDIRZLJ-GDNBJRDFSA-N	328.397	2.653	50	50	EFGA	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1ccccc1C(=O)O	170621137	MSPKOUVJYRJEGG-DHZHZOJOSA-N	327.727	2.979	50	50	EFGA	
C[C@H](NC(=S)NNC(=O)CCc1ccccc1)c1ccccc1	6522123	HPDLXRKTELKTKE-AWEZNQCLSA-N	327.453	2.876	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1	3008831	PCMIRVALPHZBLJ-YBFXNURJSA-N	345.786	2.828	50	50	EFGA	
CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](N)CCCBr)O[C@@H]1C2	169974808	FEXGWQLLVNLRTO-HNRZYHPDSA-N	330.075	2.756	50	50	EFGA	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1O	16677442	JHVOGFHKMZOIGE-GHXNOFRVSA-N	339.307	2.855	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(O)c(O)c1	9065047	YBEZKBQJLBPDKP-OAHLLOKOSA-N	346.346	2.706	50	50	EFGA	
CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1	13479765	ZEHUQTHLSUQWEG-NXHRZFHOSA-N	349.825	2.694	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1	1875377890	QJJLLZCVWJMLAL-ZYHUDNBSSA-N	337.811	2.541	50	50	EFGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/C=C/c1ccccc1	2894236	NARMOIRCVUVSGV-JPDQMXGXSA-N	341.798	2.885	50	50	EFGA	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(O)cc1O	580636	ILWRWRLZGJFXPM-RGVLZGJSSA-N	336.347	2.780	50	50	EFGA	
CCn1cc(N(Cc2cccc(OC)c2F)C(=O)CCl)cn1	1875375523	CPUCHDMSKFVGNQ-UHFFFAOYSA-N	325.771	2.823	50	50	EFGA	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1Cl)c1ccccc1	2901015	QKJMBBHINYRVEN-ZGXHQARYSA-N	329.787	2.668	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@H]2C1	33936238	PSSVTCUXUCQBCL-ROUUACIJSA-N	347.397	2.571	50	50	EFGA	
COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OC(C)=O	288252	LGPSHEPAUOIDOY-DEDYPNTBSA-N	340.379	2.703	50	50	EFGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1O	4366438	MAPNYHDMIVWKGG-VURRPDKYSA-N	348.786	2.972	50	50	EFGA	
Cc1nn(C)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	212229072	IJCMHHSFXFMZAI-ZDUSSCGKSA-N	334.301	2.966	50	50	EFGA	in-vitro
C[C@@H](NC(=O)CCl)c1nc(-c2ccc(Br)cc2)no1	1253968169	KQGQNTHNJDMBEJ-SSDOTTSWSA-N	344.596	2.915	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1	1875366844	LLACCSQQJISAOR-JTQLQIEISA-N	348.752	2.504	50	50	EFGA	
O=S(=O)(NC[C@@H](c1ccccc1)N1CCCC1)C1(CCl)CC1	1776006552	QYZYJKNBCOSKFA-HNNXBMFYSA-N	342.892	2.514	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1C	282980	AXABDYZAGLQEIL-INIZCTEOSA-N	340.379	2.827	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1	4579348	FTOPXHYYWCJXKD-WOJGMQOQSA-N	343.339	2.766	50	50	EFGA	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CSc1cccc[n+]1[O-])C2	169849859	KNLHAEYDZZWHFQ-YVJSFIOCSA-N	333.457	2.731	50	50	EFGA	
O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	232596	BWWAJVJUMGBWRU-YBFXNURJSA-N	334.335	2.539	50	50	EFGA	
Cc1ccc(NC(=S)NNC(=O)Cc2noc3ccccc23)cc1	4051055	UAYGLADLYAAUPB-UHFFFAOYSA-N	340.408	2.697	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1	16995973	SAKQKNPYBJGZMS-RGVLZGJSSA-N	338.342	2.988	50	50	EFGA	
CCn1nc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	372255	ZVBGJHOFLZEVIT-INIZCTEOSA-N	340.427	2.971	50	50	EFGA	
CCn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)n1	2759161	AFRQLLTYTVSHBF-OAHLLOKOSA-N	326.400	2.662	50	50	EFGA	
O=C(NNC(=O)C1CC1)c1c(F)ccc(SCC2CC2)c1F	408519370	LLGSMGRALPQLPB-UHFFFAOYSA-N	326.368	2.638	50	50	EFGA	
Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)Cl)CC2)cc1Cl	1875363647	PFFXFONIHYCCLK-LLVKDONJSA-N	344.242	2.952	50	50	EFGA	
Cc1cnn([C@@H](C)c2nc(C3(C)CC(Br)C3)no2)c1	1875320824	MGZNMEREMKBDCF-JBLZRFIASA-N	325.210	2.999	50	50	EFGA	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(F)cc2)cc1C	4866848	IRDNASWYOMSLAO-UHFFFAOYSA-N	331.347	2.674	50	50	EFGA	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)c1	230159	RKFIZQLLPYBGQK-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
CCOc1ccc(NC(=S)NNC(=O)c2ccc(F)cc2)cc1	610438	IHSOGHNNQWPVTG-UHFFFAOYSA-N	333.388	2.856	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1O	187460	RNYUWGKGGRMNHI-INIZCTEOSA-N	340.379	2.852	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)c(O)c1	3136474	JCMMSYDHAFPSMW-RGVLZGJSSA-N	327.384	2.662	50	50	EFGA	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)c1ccco1	556209	CVXSCLDRFJVPSL-UHFFFAOYSA-N	336.347	2.787	50	50	EFGA	
O=C(NNC(=O)c1cccs1)c1cccc(Br)c1	299101	IFNSAVJFPQFFSX-UHFFFAOYSA-N	325.187	2.585	50	50	EFGA	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(C)cc1	248211	NRUVBWHGPRZANN-UDWIEESQSA-N	340.379	2.701	50	50	EFGA	
COCc1ccccc1CN(C(=O)CCl)[C@H](C)[C@H]1CCCO1	1875382651	KYOPZKSSXAUIJW-CZUORRHYSA-N	325.836	2.968	50	50	EFGA	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)c1	43922	HTVZYUPPAPUXQI-UHFFFAOYSA-N	332.787	2.797	50	50	EFGA	
Cc1n[nH]c2c1[C@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	18142906	VPLUTCSIJJHFIH-GFCCVEGCSA-N	331.173	2.699	50	50	EFGA	
Cn1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)n1	436176	UMQPCDNITVXVKV-DEDYPNTBSA-N	334.379	2.763	50	50	EFGA	
COc1ccc(C=NNC(=O)COc2c(C)cccc2C)cc1OC	16677584	WGOKGYOGFGDZJH-UHFFFAOYSA-N	342.395	2.850	50	50	EFGA	
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Br)o1)C(C#N)=C(N)O2	207819	FHMLYSIXJNSQIA-LLVKDONJSA-N	349.140	2.522	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1	4473473	JXBPZGRQWCDKGJ-RDJZCZTQSA-N	349.825	2.695	50	50	EFGA	
CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)CCl)C(F)(F)F	1333534959	KKIBNYIONCUAAZ-GFCCVEGCSA-N	344.761	2.673	50	50	EFGA	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C(F)(F)F)c21	5013096	ZWJPWYGTBDCQSJ-SNVBAGLBSA-N	336.273	2.655	50	50	EFGA	
COc1ccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c(OC)c1	263617080	LZDYMGKMAOLQSX-UHFFFAOYSA-N	342.376	2.994	50	50	EFGA	
CCCCCCO[C@H](C)C(=O)NCCSSCCC(=O)O	1875355001	XBEDNWFYOSLYHI-GFCCVEGCSA-N	337.507	2.944	50	50	EFGA	
CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H](CNC(=O)CCl)C1	1875366148	VEBBGUWXQJNOEB-ZDUSSCGKSA-N	338.835	2.876	50	50	EFGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(O)c(O)c1	4762522	CSUIFALCJSGFHD-HNNXBMFYSA-N	326.352	2.549	50	50	EFGA	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc3c(c2)OCO3)[nH]n1	9013918	RGZMVWJUZVUWQM-CAOOACKPSA-N	340.364	2.631	50	50	EFGA	
Cc1ccc(CNC(=S)NNC(=O)CCc2ccccc2)cc1	6788218	KLDXNBKSJUKSLZ-UHFFFAOYSA-N	327.453	2.623	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	169908551	CTTUCRCMIGACRJ-IHWZXDPASA-N	338.879	2.501	50	50	EFGA	
O=C(COc1ccccc1Br)N/N=C/c1ccccc1O	260193	PDSLZFPYTXPNFK-RQZCQDPDSA-N	349.184	2.684	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)c(OC)cc1C	293112	BHRGXTXJWUGAND-KRWDZBQOSA-N	342.395	2.957	50	50	EFGA	
N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(Br)cc1	328516	XOLJFTLRRRZRLF-UHFFFAOYSA-N	333.214	2.667	50	50	EFGA	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	1959252	AZAWTLVEJDSYLI-LZYBPNLTSA-N	348.702	2.920	50	50	EFGA	
C[C@@H](Cl)C(=O)NC1(C(=O)NCc2cccs2)CCCCC1	1875377919	RGUICPLCRPWTCD-LLVKDONJSA-N	328.865	2.811	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1	4721657	WMDPBNBNNOIBDP-DLBZAZTESA-N	349.463	2.883	50	50	EFGA	
Cc1nnsc1C(=O)N/N=C/c1cc2ccccc2nc1Cl	4229895	ICKDCBQYQYSQTO-FRKPEAEDSA-N	331.788	2.812	50	50	EFGA	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(F)(F)F)[C@@H](Br)C1	396137666	MTHBKYXJSOPDME-XVKPBYJWSA-N	348.159	2.684	50	50	EFGA	
COc1cccc(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)c1	2544526	GBKAGDJZHRYZOF-HXISEIJMSA-N	337.379	2.839	50	50	EFGA	
Cc1[nH]nc2c1[C@H](c1cccc(Br)c1)C(C#N)=C(N)O2	4730342	HYKBOZYVHLSPFW-GFCCVEGCSA-N	331.173	2.699	50	50	EFGA	
CC1(C)CC(=O)C/C(=N\NC(=O)CCC(=O)Nc2ccccc2)C1	100007863	PQCODLPDYIOOAV-XSFVSMFZSA-N	329.400	2.657	50	50	EFGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccncc1	219844	KHRDTAFEKWFWTA-UDWIEESQSA-N	335.319	2.658	50	50	EFGA	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1Cl	4946925	HGJAIWBDKLTPDF-UHFFFAOYSA-N	336.691	2.913	50	50	EFGA	
Cc1c(/C=N/NC(=O)COc2ccccc2C#N)c2ccccc2n1C	274255	CZUYGNJTFJQRAA-WSDLNYQXSA-N	346.390	2.888	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)s1	18175653	WADZUVANFWKSEX-RQZCQDPDSA-N	326.381	2.916	50	50	EFGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])cc1	92288	RNKUOTJWNHYPSR-UHFFFAOYSA-N	341.367	2.967	50	50	EFGA	
O=C(NNC(=O)c1ccc(NC(=O)C2CC2)cc1)Nc1ccccc1	508893	XFOGQNLEMMIPRS-UHFFFAOYSA-N	338.367	2.502	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c(O)c1	6493501	DWVBYIKIGKGTFD-VCHYOVAHSA-N	330.388	2.575	50	50	EFGA	
CCCN1CCO[Si]2(OCC1)Oc1ccccc1-c1ccccc12	822921620	HEXIYRGGEABNGT-UHFFFAOYSA-N	341.483	2.651	50	50	EFGA	
O=C(CCl)NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1	45399	GQYGOCZOJMVPBS-UHFFFAOYSA-N	330.982	2.837	50	50	EFGA	
O=C(N/N=C/c1ccccc1I)c1ccco1	436444	RKLYRXKPVYTGPV-RIYZIHGNSA-N	340.120	2.648	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2OC)cc1	5015277	HIXIQVKEVBLBBL-XDHOZWIPSA-N	328.368	2.866	50	50	EFGA	
CC(C)(C)OC(=O)N1Cc2ccccc2[C@H](CNC(=O)CCl)C1	1875366147	VEBBGUWXQJNOEB-CYBMUJFWSA-N	338.835	2.876	50	50	EFGA	
Cc1nn(C)c(C)c1CCC(=O)OC[C@@]1(C)C[C@@H]1Br	888099535	PDXWGQVIIBRQJT-GXTWGEPZSA-N	329.238	2.686	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1cccs1	211936	JANLCICVIXGIPG-CYBMUJFWSA-N	334.356	2.889	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1O	60084	DCPDTGASPUZIKC-VXLYETTFSA-N	348.786	2.973	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OC(C)=O	288257	DQVMTJMVLOJUGC-YBFXNURJSA-N	326.352	2.693	50	50	EFGA	
O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/c1ccccc1Cl	3086004	DEYWWOALJNQTDJ-AWQFTUOYSA-N	348.765	2.751	50	50	EFGA	
COC(=O)[C@H]1C[C@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl	1393256	BBJDKANFEGVUPF-GZMMTYOYSA-N	336.602	2.988	50	50	EFGA	
COC(=O)c1ccc(/C=N\NC(=O)COc2cccc(Cl)c2)cc1	30833234	KZMXULUYAGSPPW-GRSHGNNSSA-N	346.770	2.656	50	50	EFGA	
CNC(=S)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	6288112	YRHWKCMNVWLVPV-UHFFFAOYSA-N	342.449	2.702	50	50	EFGA	
CCCc1n[nH]c2c1[C@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2	5686269	AURZXGDYVYLNCJ-OAHLLOKOSA-N	340.383	2.685	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1	4102669	YIHOMAXYJIKXIL-IAGOWNOFSA-N	349.825	2.695	50	50	EFGA	
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N	253499994	SWAJIWWXRRYRDI-WDCLZLQXSA-N	329.440	2.744	50	50	EFGA	biogenic
O=C(NNC(=O)C1CCCCC1)c1ccc(OC[C@H]2CCCO2)cc1	13619687	DBARKTWKEUPYOU-QGZVFWFLSA-N	346.427	2.586	50	50	EFGA	
COC[C@H](C)OC(=O)/C(C#N)=C\c1coc2ccc(C)cc2c1=O	2758960	TVOBMKFZGKKXRA-BPLGCGBFSA-N	327.336	2.587	50	50	EFGA	
NNC(=O)c1cc(-c2ccc(OCc3ccc(Cl)cc3)cc2)n[nH]1	25761127	RYHCEMIKDJKLNE-UHFFFAOYSA-N	342.786	2.913	50	50	EFGA	
COc1ccccc1C(=O)NNC(=O)c1cc2ccccc2cc1O	289985	SYYIGGLRGDNBBA-UHFFFAOYSA-N	336.347	2.629	50	50	EFGA	
CO[C@@H](C(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)c1ccccc1	4474872	YYWFLVSXXZPKJC-JZQBQCRLSA-N	340.379	2.686	50	50	EFGA	
CCCN1CCC(=NNC(=O)c2ccc(Br)o2)CC1	4109713	FZJBCLOBQNSWDI-UHFFFAOYSA-N	328.210	2.634	50	50	EFGA	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	8973580	KCSZCWYFXLIIHE-LLVKDONJSA-N	336.800	2.585	50	50	EFGA	
Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	93966	RSAXYUIVFNGBMC-DGURAOSJSA-N	340.379	2.950	50	50	EFGA	
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccccc1Cl	2543046	ILKFFFIOLMPYSO-DJKKODMXSA-N	347.758	2.570	50	50	EFGA	
CCOc1ccc(NCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	252261	QEKOQLLIDDVZHB-YBFXNURJSA-N	342.355	2.556	50	50	EFGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1coc2ccccc2c1=O	2821087	GZQRQWVBINLKBF-BMLIUANNSA-N	348.358	2.854	50	50	EFGA	
CCOc1ccc([C@H]2CC(=O)NC(SCC#N)=C2C#N)cc1OC	9110300	XXGIVZVOAKDAIM-GFCCVEGCSA-N	343.408	2.689	50	50	EFGA	
F[C@@H]1C[C@H]2[C@@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F	245236152	QETLGKWBLPLOEM-RSJOWCBRSA-N	330.041	2.943	50	50	EFGA	
O=C(O)CCSSCCNC(=O)c1cccc2cnccc12	1875388413	AILXFWKBMALXCD-UHFFFAOYSA-N	336.438	2.821	50	50	EFGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1coc2ccccc2c1=O	2821089	GZQRQWVBINLKBF-BTDLBPIBSA-N	348.358	2.854	50	50	EFGA	
Cc1ccc(C(=O)N/N=C/c2c(C)[nH]n(-c3ccccc3)c2=O)cc1	252536508	ITKSGBRLMVRSIP-UDWIEESQSA-N	334.379	2.546	50	50	EFGA	
COc1ccc(C(=O)N[C@H](O)C(Cl)(Cl)[C@@H](C)Cl)cc1	374222	OXPMRRJSHGGVKA-RDDDGLTNSA-N	326.607	2.545	50	50	EFGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@@]23[C@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1	254730157	OMGGDHZFRGBBHT-PKDWCSLOSA-N	347.374	2.523	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)o1	72947	BUIVBAZWKOTASK-RQZCQDPDSA-N	328.397	2.717	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1	1875380428	ORHWUJGWCZJQRF-AMFBXLIHSA-N	328.790	2.986	50	50	EFGA	
C[C@H](NC(=S)NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	2851082	RCXIYXMIFSXLGD-ZDUSSCGKSA-N	342.468	2.623	50	50	EFGA	
O=C1C[C@H](N(C(=O)CCl)C2CCCCC2)C(=O)N1c1ccccc1	217040334	QLZZBXIZKBKVCI-HNNXBMFYSA-N	348.830	2.719	50	50	EFGA	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	3132070	AEURMHBFAGUZMK-UDWIEESQSA-N	326.327	2.610	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccnc1	5068166	JEJVOQGCHMBMMF-AWEZNQCLSA-N	333.326	2.829	50	50	EFGA	
COC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1	8973096	ZBCFBPYJRHOKAV-SNVBAGLBSA-N	336.800	2.585	50	50	EFGA	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1O	261389	IDWJOPMORVFFJY-GIJQJNRQSA-N	334.759	2.583	50	50	EFGA	
COc1ccc(N(c2ccc(OC)cc2)c2ccc(B(O)O)cc2)cc1	196051385	HDVVFJKYLNSKOG-UHFFFAOYSA-N	349.195	2.853	50	50	EFGA	
COc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1OC	32606158	DKGKDJKVPYTJRZ-JAIQZWGSSA-N	327.384	2.574	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	1875377657	KIGBLCAHMXVJCD-MWLCHTKSSA-N	348.752	2.550	50	50	EFGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc([N+](=O)[O-])c1	1959380	CQTMBZWUSFCBLN-LZYBPNLTSA-N	348.702	2.920	50	50	EFGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1	2901423	XULHINVDPGNMPX-UDWIEESQSA-N	339.395	2.907	50	50	EFGA	
C[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	2575524	SXWWICLSRXPNNW-LBPRGKRZSA-N	344.323	2.815	50	50	EFGA	in-vitro
Cc1n[nH]c2c1[C@@H](c1cc(Br)cs1)C(C#N)=C(N)O2	192649	VIJQCQDBDUDSBN-SNVBAGLBSA-N	337.202	2.760	50	50	EFGA	
C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccncc1	5041598	DFOMBGOIZRDJAG-CPUCHLNUSA-N	329.444	2.902	50	50	EFGA	
CCOc1cc(/C=N\NC(=O)CNc2ccccc2C)ccc1O	32606149	OAZKCFFHZFUOEH-JAIQZWGSSA-N	327.384	2.662	50	50	EFGA	
CC(C)(C)c1cccc(C(=O)NCCSSCCC(=O)O)n1	1875389050	ZVBUVYJBLVNZJU-UHFFFAOYSA-N	342.486	2.965	50	50	EFGA	
COc1ccc(/C=N/NC(=O)CN2CCCCCCC2)c(OC)c1C	283047	GANWFVPJBQNLDJ-DEDYPNTBSA-N	347.459	2.728	50	50	EFGA	
CCn1c(SCC(=O)N/N=C/c2cccn2C)nc2ccccc21	55600	WHEPBOKAAZXADB-WOJGMQOQSA-N	341.440	2.637	50	50	EFGA	
C/C(=N\NC(=O)Cc1cccn1C)c1ccc(Br)cc1	13583770	YXCYWZBYGZXNEI-GZTJUZNOSA-N	334.217	2.871	50	50	EFGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	2892182	RYAVWNIZJRRCOT-YBFXNURJSA-N	345.786	2.828	50	50	EFGA	
Cc1ccc(O)c(/C=N\NC(=O)c2cncc(Br)c2)c1	22343373	LQDDBOQMOBKLPE-IDUWFGFVSA-N	334.173	2.622	50	50	EFGA	
O=C(NNc1nc(-c2ccncc2)no1)[C@@H]1CCCC2(CCC2)C1	1875292588	NCSXYYXEUPAMIJ-CYBMUJFWSA-N	327.388	2.935	50	50	EFGA	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2csc(C)c2)c(C)c1	6527716	ISSWGAZEZNMKDU-UHFFFAOYSA-N	338.454	2.605	50	50	EFGA	
CCNC(=S)NNC(=O)CCn1c2ccccc2c2ccccc21	13479019	VKPBBMIKOBRYCY-UHFFFAOYSA-N	340.452	2.700	50	50	EFGA	
O=C(NNC(=S)NCc1ccc(F)cc1)c1c[nH]c2ccccc12	611060	RIIIXKJQAQZTEB-UHFFFAOYSA-N	342.399	2.616	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccnc1	5068175	JEJVOQGCHMBMMF-CQSZACIVSA-N	333.326	2.829	50	50	EFGA	
C[C@H]1CNc2c(C(=O)NNc3ccccc3C(F)(F)F)cnn2C1	1119305860	SEQFYRLHLNPYFY-VIFPVBQESA-N	339.321	2.720	50	50	EFGA	
Cc1cc(OCC(=O)NNC(=O)c2cccs2)cc(C)c1Cl	146587	NWOZLWOCZFAQIF-UHFFFAOYSA-N	338.816	2.858	50	50	EFGA	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OCC	247208	RDMQILHMHPNZFJ-KMPOOHAWSA-N	344.411	2.686	50	50	EFGA	
CCN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2ccccc21	100192258	JJGPKMBBWZMBDG-XDJHFCHBSA-N	327.771	2.841	50	50	EFGA	
COC(=O)c1ccc(C(=O)C(Br)Br)s1	100430665	KUVUJIMMHGKZRC-UHFFFAOYSA-N	342.008	2.833	50	50	EFGA	
C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N)cc1	12343223	TVSCSYPWDATWGQ-FYJGNVAPSA-N	336.395	2.550	50	50	EFGA	
C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccncc1	4746472	PDQJJDIHLHCJEC-UDWIEESQSA-N	339.424	2.601	50	50	EFGA	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	208490	IOLNKCFSCFHIQL-AWEZNQCLSA-N	326.377	2.888	50	50	EFGA	
O=C(NNC(=O)c1ccc2ncccc2c1)c1ccc(Cl)cc1	171313	GUVSISXMWHDFMB-UHFFFAOYSA-N	325.755	2.963	50	50	EFGA	
O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccn1	2902182	UUVVLTILJZHFIJ-XDHOZWIPSA-N	335.323	2.544	50	50	EFGA	
CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1	13479764	ZEHUQTHLSUQWEG-JQHSSLGASA-N	349.825	2.694	50	50	EFGA	
COc1cc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)ccc1OC(C)=O	100050584	GHDNMAVXCWMYNK-YVTGBJBKSA-N	330.384	2.507	50	50	EFGA	
O=C1C[C@@H](N(C(=O)CCl)C2CCCCC2)C(=O)N1c1ccccc1	217040298	QLZZBXIZKBKVCI-OAHLLOKOSA-N	348.830	2.719	50	50	EFGA	
C[C@@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2	1875378118	VVPQWUQARUMVAN-SNPRPXQTSA-N	334.847	2.908	50	50	EFGA	
Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccc[nH]1	2969017	OXSJACWIBFQMPA-VXLYETTFSA-N	332.791	2.846	50	50	EFGA	
CC(C)(C)c1[nH]nc2c1[C@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	5095392	ITGFPSSSUBFKPN-CYBMUJFWSA-N	338.367	2.654	50	50	EFGA	
CCO[Si](OCC)(OCC)c1c(F)c(F)c(F)c(F)c1F	169807329	QALDFNLNVLQDSP-UHFFFAOYSA-N	330.325	2.638	50	50	EFGA	in-vitro
COc1ccc(CSCC(=O)N/N=C/c2ccccc2O)cc1	443784	GUZWKTOEQLXTFI-VCHYOVAHSA-N	330.409	2.784	50	50	EFGA	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1ccc2ccccc2c1	8747911	LLCHTTWOCWRAQW-KRWDZBQOSA-N	346.342	2.503	50	50	EFGA	biogenic,in-vitro
CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@@H]1c1ccc(F)cc1	369422	APBDDSFBWFIDGJ-ZDUSSCGKSA-N	336.750	2.689	50	50	EFGA	
O=C(CCn1nnc2ccccc21)N/N=C/c1ccc(Cl)cc1	536064	PNMZCTOVLJFFIO-WOJGMQOQSA-N	327.775	2.625	50	50	EFGA	
CC(C)(C)c1n[nH]c2c1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	5095384	LIBORKCFNIZDRJ-GFCCVEGCSA-N	339.355	2.834	50	50	EFGA	
C/C(=N/NC(=O)COc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	4989837	BEGXVERCWXDKBN-AQTBWJFISA-N	327.340	2.822	50	50	EFGA	
O=C(O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1	4261234	USZKPPLPOUBCIZ-VXLYETTFSA-N	338.319	2.660	50	50	EFGA	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(F)cc1	58566	QVLADAOSQGWFHR-ZDUSSCGKSA-N	336.750	2.689	50	50	EFGA	
CC1(C)Cc2ccccc2C(NNC(=O)c2ccc([N+](=O)[O-])cc2)=N1	109161	QDNRDAPSCIYVCG-UHFFFAOYSA-N	338.367	2.611	50	50	EFGA	
CC1=CS/C(=C(/C#N)C(=O)N2CCOCC2)N1c1ccccc1	311361	ROYDWHPONYEFOD-ICFOKQHNSA-N	327.409	2.695	50	50	EFGA	
O=C(O)CCSSCCNC(=O)c1ccc2cnsc2c1	1875388421	AMEGDPWOLLABKP-UHFFFAOYSA-N	342.467	2.882	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1	1875364582	XFVJFFYJQGNGDW-NEPJUHHUSA-N	343.254	2.569	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(F)c3)[C@H]2C1	481858	IGXJECVPWRTSLN-ZWKOTPCHSA-N	347.397	2.571	50	50	EFGA	
Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(C)c(C)c2)c(C)c1	15934221	UXAUDMJXECZSPG-UHFFFAOYSA-N	347.440	2.935	50	50	EFGA	
CNC(=S)NNC(=O)[C@@H](Sc1ccccc1)c1ccccc1	7059314	HVDNHLCCSQLFMJ-AWEZNQCLSA-N	331.466	2.645	50	50	EFGA	
COc1ccc(C)cc1NC(=S)NNC(=O)Cc1cccs1	609051	YYIBIEMEKBVULI-UHFFFAOYSA-N	335.454	2.625	50	50	EFGA	
CO[C@H](C(=O)N/N=C(\C)c1ccc2c(c1)OCCO2)c1ccccc1	4474873	YYWFLVSXXZPKJC-ACRNLXFHSA-N	340.379	2.686	50	50	EFGA	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1ccc(Br)cc1	13576960	YVDYFUDGBYJEKP-JYRVWZFOSA-N	346.184	2.584	50	50	EFGA	
Cc1ccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)cc1	370701	SVWBKKOYYVODHW-UHFFFAOYSA-N	333.775	2.880	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C)s3)[C@H]2C1	19758252	FAUJHGKEZXHTEO-RDJZCZTQSA-N	349.463	2.802	50	50	EFGA	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1	567347	OTZNBZFAORQZEW-VXLYETTFSA-N	346.770	2.656	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2cccc(Br)c2)ccc1O	301097	OMUXVNVPPWOPNG-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
O=C(N/N=C/c1ccc(O)c(O)c1)c1cccc(Br)c1	256878	PYPQMZWTEOKPCD-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
O=C(NNC(=O)c1ccccc1F)c1cccc(Br)c1	3156231	LHSKVTZPAIMTTD-UHFFFAOYSA-N	337.148	2.663	50	50	EFGA	
COC(=O)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	111899	WHBOSHBGARWGRV-LFIBNONCSA-N	327.361	2.812	50	50	EFGA	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)c1	9065898	NIJZTNRRLQRUNO-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
CC(/C=C/c1ccccc1)=N\NC(=O)CNC(=O)c1cccc(C)c1	4210535	WGBXOVVULSYVRI-QZNOEYBOSA-N	335.407	2.930	50	50	EFGA	
O=C(CCl)NC1(c2noc([C@H]3CCCO3)n2)CCCCCC1	1875378010	TXIGNCKIDWYVOZ-LLVKDONJSA-N	327.812	2.826	50	50	EFGA	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1	2691296	DRHBKGCOYTZUTB-AWEZNQCLSA-N	348.786	2.559	50	50	EFGA	
O=C(NNC(=O)c1c[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1	621322	QXGSOPWVZSNJOQ-UHFFFAOYSA-N	339.311	2.543	50	50	EFGA	
O=C1O[C@H]2[C@H]3C[C@H]([C@H]2I)[C@H](c2ccccc2)[C@H]13	254393365	HSYRRILDTLPLIV-NFXCPBFJSA-N	340.160	2.765	50	50	EFGA	
C/C(=N\NC(=O)[C@@H](C)Sc1nc(C)cc(C)n1)c1ccccc1O	3663938	XHNWSESAYIPJAO-HMHKGCENSA-N	344.440	2.820	50	50	EFGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	143425	IMEZMEKMAJUNNC-UHFFFAOYSA-N	341.367	2.967	50	50	EFGA	
C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc([N+](=O)[O-])cc1	5296933	PIIOHPVATDDPAX-LICLKQGHSA-N	339.311	2.732	50	50	EFGA	
CCOc1cc(/C=N\NC(=O)c2c(C)nc3ccccn23)ccc1O	32603829	IZOVIGULGFSZOT-ODLFYWEKSA-N	338.367	2.511	50	50	EFGA	
COc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(O)c2)[nH]n1	229616	TVCXNZBBAUENLM-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
CCOc1ccc(-c2[nH]nc(C(=O)N/N=C/c3ccncc3)c2C)cc1	9015508	MXVABZJRNXUOEQ-CIAFOILYSA-N	349.394	2.943	50	50	EFGA	
Cc1ccccc1CSCC(=O)NNC(=S)NC1CCCC1	6789591	WZSQSLXXEBPION-UHFFFAOYSA-N	337.514	2.666	50	50	EFGA	
CC1(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CNC1	261494051	OPJPOYVLFFFKQO-UHFFFAOYSA-N	325.528	2.925	50	50	EFGA	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1	13882202	GCBVPKFWKJEFDE-YBFXNURJSA-N	340.339	2.707	50	50	EFGA	
CCOC(=O)N[C@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1	3124969	QXSBAWHQERJTQC-NSHDSACASA-N	340.228	2.645	50	50	EFGA	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccc(F)cc1	2892218	WYHHNLAMBOCGEL-DJKKODMXSA-N	333.750	2.876	50	50	EFGA	
CNC(=S)NNC(=O)c1sc2cc(Cl)ccc2c1Cl	6734709	GBUFVKYWMRQUGG-UHFFFAOYSA-N	334.253	2.947	50	50	EFGA	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)ccc1OC(C)=O	245238210	GHDNMAVXCWMYNK-LGCGGJEOSA-N	330.384	2.507	50	50	EFGA	
CCC1(C(=O)NNC(=O)c2cc(Br)c[nH]2)CCCCC1	170596042	IWPAKBOXUXAUEB-UHFFFAOYSA-N	342.237	2.899	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(Cl)c(Cl)c1	228865	LEHDBTFBJYPHFT-QGMBQPNBSA-N	348.193	2.888	50	50	EFGA	
CC(C)(C)[Si](OCCOCCO)(c1ccccc1)c1ccccc1	202701536	DIVITHMWGJFFIX-UHFFFAOYSA-N	344.527	2.572	50	50	EFGA	
CC(=O)OC1=C(C=O)CCc2c1c(C)nn2-c1ccc(F)cc1F	336915	ZHBPJEOVPZCSAM-UHFFFAOYSA-N	332.306	2.878	50	50	EFGA	
CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@H]1NC(=O)CCl	1875369904	PONISFCDKBGDCI-AAEUAGOBSA-N	330.856	2.815	50	50	EFGA	
CC[C@H](CCl)NC(=O)c1cccc(C(=O)N[C@H](CC)CCl)n1	336095	LNJRVGTVRPXVJN-GHMZBOCLSA-N	346.258	2.576	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1	337157	YNNOMHMMSKMMOV-RGVLZGJSSA-N	338.342	2.988	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	4366581	JJWCMJXAGORGMN-MBNTZHJCSA-N	343.339	2.521	50	50	EFGA	
C[C@@H](Cl)C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F	1875363639	OUIVXZJIMBNBKK-NXEZZACHSA-N	339.741	2.531	50	50	EFGA	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OC	207318	KFXRQLWEWVNXLY-SFHVURJKSA-N	337.379	2.894	50	50	EFGA	
CCNC(=S)NNC(=O)c1cc(CC(C)C)nc2ccccc12	8828972	MYTRQYCYPXKAQI-UHFFFAOYSA-N	330.457	2.562	50	50	EFGA	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cnccn1	28593	VEYZJEWWVDVQSJ-WSDLNYQXSA-N	332.363	2.820	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1O	187463	RNYUWGKGGRMNHI-MRXNPFEDSA-N	340.379	2.852	50	50	EFGA	
COc1cccc([C@H](Br)[C@H](Br)C(=O)O)c1	1602062	WBRLBWOFKFWFIM-IUCAKERBSA-N	337.995	2.979	50	50	EFGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12	2568383	JUVAJOAOBMEGIH-FYJGNVAPSA-N	347.374	2.937	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)c1	290871	CDRMNEWZJATSPM-DEDYPNTBSA-N	337.379	2.586	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1O	2565333	BUXXRYRQLIXOET-VXLYETTFSA-N	348.786	2.973	50	50	EFGA	
CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@H](C)Cl)CC1	1875380181	HPMCRMWKDJQXIW-UONOGXRCSA-N	330.856	2.863	50	50	EFGA	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(Cl)cc1	250803	ZVSAAYWOHPHUJM-UHFFFAOYSA-N	334.719	2.715	50	50	EFGA	
Cc1ccccc1C(=O)NNC(=O)c1ccc(Br)cc1	242560	NLMIKGRRXHDHIP-UHFFFAOYSA-N	333.185	2.832	50	50	EFGA	
COc1cccc(C(=O)NN(C(=O)c2ccccc2N)C(C)(C)C)c1	4054711	VGFSCJWDINDSRH-UHFFFAOYSA-N	341.411	2.863	50	50	EFGA	
O=C(N/N=C/c1ccccc1O)c1cc(Br)ccc1O	59638	MULGUYWFAXVEDZ-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
Cc1cc(=O)oc2cc(NC(=S)NNC(=O)OC(C)(C)C)ccc12	2851646	LFVFAKSARTYAEP-UHFFFAOYSA-N	349.412	2.828	50	50	EFGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1Cl	4283247	ZCEROMCZCQWTIS-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
CCc1c(C(=O)NNC(=S)NCc2ccccc2)csc1C	8830433	XWLMOEVGOWVPJP-UHFFFAOYSA-N	333.482	2.928	50	50	EFGA	
CCCc1n[nH]c2c1[C@H](c1ccc(NC(C)=O)cc1)C(C#N)=C(N)O2	6493347	TVHIJXWMUZIEGQ-OAHLLOKOSA-N	337.383	2.539	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccccc2)c(O)c1	112471	TXMXMWQZGMPOMK-DEDYPNTBSA-N	341.411	2.768	50	50	EFGA	
C/C(Cn1nnc2ccccc21)=N\NC(=O)Cc1ccc(Cl)cc1	5892274	FJKCMTBEURVWQE-XDHOZWIPSA-N	341.802	2.820	50	50	EFGA	
C[C@H](Cl)C(=O)NC1(C(=O)NCc2cccs2)CCCCC1	1875377920	RGUICPLCRPWTCD-NSHDSACASA-N	328.865	2.811	50	50	EFGA	
CCCc1n[nH]c2c1[C@@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2	4631917	UBMABMHCGJTCLL-AWEZNQCLSA-N	340.383	2.598	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2c(Cl)c(C)nn2C)cc1	371283	QVRHBIWEJSNASF-YBFXNURJSA-N	347.850	2.992	50	50	EFGA	
Cc1cc(OCC(=O)NNC(=O)c2ccccc2)cc(C)c1Cl	146584	JGLUGUPOQVBZID-UHFFFAOYSA-N	332.787	2.797	50	50	EFGA	
COCc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC	372256	NZPHHEUIGKKSGD-KRWDZBQOSA-N	340.379	2.656	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1	4074133	KTAHSMRHFRKCBY-IRXDYDNUSA-N	349.463	2.882	50	50	EFGA	
CCc1c(C(=O)NNC(=S)NC(=O)c2ccccc2)csc1C	6489853	OUSCZPQXQKKVSP-UHFFFAOYSA-N	347.465	2.568	50	50	EFGA	
O=C(N/N=C/c1cccs1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	72311	SBZWYSDOFXDMMP-CXUHLZMHSA-N	341.352	2.810	50	50	EFGA	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(C(=O)O)cc1	30802362	UFSKUMXVGOZLGA-NVMNQCDNSA-N	332.743	2.567	50	50	EFGA	
Cn1cccc1/C=N/NC(=O)CSc1nc2ccccc2s1	186709	VORANSNEGYIJMH-CXUHLZMHSA-N	330.438	2.877	50	50	EFGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])cc1	1959241	AVDQHIQKQLWNMR-LZYBPNLTSA-N	348.702	2.920	50	50	EFGA	
COc1ccc(COC(=O)NNC(=O)c2cccc(Cl)c2)cc1	436115	RCTGNKROOFRINI-UHFFFAOYSA-N	334.759	2.920	50	50	EFGA	
O=C(N/N=C\c1ccncc1)[C@@H]1COc2cc3ccccc3cc2O1	32614431	PRHAVSQUVNCPPP-DUQUIBLKSA-N	333.347	2.525	50	50	EFGA	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1	17071197	SUZANBUJOIFNPF-LSDHHAIUSA-N	340.339	2.551	50	50	EFGA	
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccccc1Cl	5620941	UXQQTSRQTFXULO-WOJGMQOQSA-N	327.775	2.625	50	50	EFGA	
C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1OC	2899236	LMDKAZZOGVUZEG-DEDYPNTBSA-N	340.379	2.789	50	50	EFGA	
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccnc1	1428247	UZAJNUKWJKIJBU-AWEZNQCLSA-N	333.372	2.875	50	50	EFGA	
CCn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)n1	2759162	AFRQLLTYTVSHBF-HNNXBMFYSA-N	326.400	2.662	50	50	EFGA	
C=CCOc1cccc(/C(C)=N/NC(=O)c2cc(O)cc(O)c2)c1	13322531	PDMLTSYOOAQDTL-XDHOZWIPSA-N	326.352	2.817	50	50	EFGA	
COc1cccc(OC)c1Oc1ccc(CNC(=O)CCl)cn1	1319785473	COCFYOVZCBALTL-UHFFFAOYSA-N	336.775	2.746	50	50	EFGA	
C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1C	4360071	IMVIIVPHLWMNLL-DEDYPNTBSA-N	337.379	2.649	50	50	EFGA	
CCCCN1C(=O)/C(=C/c2ccco2)C(=O)N(CCCCl)C1=O	2027300	YSQGZVQQVVINCL-QBFSEMIESA-N	338.791	2.883	50	50	EFGA	
Cn1ccc(-c2noc([C@@]3(c4ccccc4)C[C@H]3Br)n2)n1	1875279172	ZBPSUIKPXYTKAJ-IUODEOHRSA-N	345.200	2.923	50	50	EFGA	
O=C(O)CCSSCCNC(=O)[C@@H]1CCCCC1(F)F	1875388940	WCCBXJAOAYZVFL-VIFPVBQESA-N	327.418	2.784	50	50	EFGA	
Cc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	5072937	VWNRKRYUJRVZHK-JTQLQIEISA-N	349.177	2.603	50	50	EFGA	
O=C1C[C@@]2(CCCN(C(=O)CCCC[C@H]3CCSS3)C2)CN1	170643646	MFWKADQPRBLIQI-BBRMVZONSA-N	342.530	2.829	50	50	EFGA	
CC[C@@H](Br)C(=O)NCCc1ccc(OC)c(OC)c1	266506	KPRODRKMNJZHPW-LLVKDONJSA-N	330.222	2.536	50	50	EFGA	biogenic
CCOC(=O)c1ccc(NC(=O)NNC(=O)c2sccc2C)cc1	609223	JWUMEIAMRCNRDQ-UHFFFAOYSA-N	347.396	2.700	50	50	EFGA	
O=C(N/N=C/c1c[nH]c2ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1	448724	NSXWIXTYZQCRNG-LVCXCXRVSA-N	346.390	2.671	50	50	EFGA	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(O)c2)c(C)c1	2098331	MTWWIKBBDDWEEP-UDWIEESQSA-N	339.395	2.878	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1O	487372	MYBLPDCGQJHBGM-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(Br)cc1	229360	UMHMPXLBUSYLET-RQZCQDPDSA-N	349.232	2.872	50	50	EFGA	
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1ccccn1	17068191	FQRLRSFNBLZCEG-WOJGMQOQSA-N	332.201	2.927	50	50	EFGA	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1	9270660	NJQMCOWAICXTKG-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)c1	2902910	XMUYOBDZMZMFFO-UDWIEESQSA-N	339.395	2.907	50	50	EFGA	
C=CCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	35337212	QEARNHJACYQOMI-WOJGMQOQSA-N	341.323	2.629	50	50	EFGA	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c1	4347164	SQQJLFRLLXXNAN-FYJGNVAPSA-N	347.374	2.937	50	50	EFGA	
Cc1ccccc1C(=O)NNC(=O)c1ccccc1Br	299355	NFRKCJMIGHOORZ-UHFFFAOYSA-N	333.185	2.832	50	50	EFGA	
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@H]1c1sccc1C	433018	MFHNWTPLJYNSEH-CQSZACIVSA-N	347.465	2.560	50	50	EFGA	
C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(O)cc1	4677709	OZVOEUQBEJSUEB-LICLKQGHSA-N	326.381	2.998	50	50	EFGA	
C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccnn1C	374462	ZDJULLXLSXXFBP-PCYPHTAMSA-N	341.198	2.645	50	50	EFGA	
CCOP(=O)(CCOCCOCCBr)OCC	96308245	BYTKSVRXAWIJCM-UHFFFAOYSA-N	333.159	2.681	50	50	EFGA	in-vitro
COc1ccc(C(=O)NNC(=O)c2cccc(Br)c2)cc1	54852	DHOXKXWRCMIWMO-UHFFFAOYSA-N	349.184	2.533	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	495676	GMANWMMPLFOLIP-DOTOQJQBSA-N	349.463	2.883	50	50	EFGA	
COc1cccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O	435225	BBZOWPHVRHDMST-VXLYETTFSA-N	328.368	2.547	50	50	EFGA	
CC(=O)NNc1nc(C)c(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)s1	5678666	SDNLYJROEVMSGH-VMPITWQZSA-N	346.368	2.719	50	50	EFGA	
O=C1C(O)=C(CN(CCCl)CCCl)C(=O)c2ccccc21	1664646	WXEZVFMSDMREIY-UHFFFAOYSA-N	328.195	2.657	50	50	EFGA	
Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1)C(=O)N2C	100321793	JXYKTCCCMGPAKS-CYVLTUHYSA-N	327.771	2.759	50	50	EFGA	
C#CCOCCOCCOCCOCCO[Si](C)(C)C(C)(C)C	170176875	NVHJBVPAABUHIU-UHFFFAOYSA-N	346.540	2.708	50	50	EFGA	
C/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	13304111	GWOYREKUTVSBTB-MHWRWJLKSA-N	328.284	2.657	50	50	EFGA	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)Cc2cccs2)cc1	1197753	IDWBHALQTHQDTO-UHFFFAOYSA-N	346.452	2.815	50	50	EFGA	
COC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(C)=O	6820982	XHUKMIGOBGOGGX-UHFFFAOYSA-N	349.437	2.539	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1	1875378055	UXDYJOJIHSJCRO-ONGXEEELSA-N	339.773	2.887	50	50	EFGA	
COc1ccc(COC(=O)NNC(=O)c2ccccc2Cl)cc1	436220	BUHKXKDKPHMZAF-UHFFFAOYSA-N	334.759	2.920	50	50	EFGA	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1cccc2ccccc12	4038111	DCECXXVEKNNRNY-QGZVFWFLSA-N	346.342	2.503	50	50	EFGA	biogenic,in-vitro
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(O)c1	2472061	PWRGWYBCBVJYRX-HNNXBMFYSA-N	332.315	2.717	50	50	EFGA	
COc1cc(N(Cc2cnn(C)c2)C(=O)CCl)ccc1Cl	1875375544	DGJYGMICMFOSKE-UHFFFAOYSA-N	328.199	2.854	50	50	EFGA	
O=C(CI)Nc1ccc(Br)cc1	1761855	KZEZEXWEHMUXPI-UHFFFAOYSA-N	339.958	2.823	50	50	EFGA	
O=C(N/N=C/c1cccc(Cl)c1)c1c(O)[nH]c2ccccc2c1=O	2390857	YTVIBTCMPHANDK-DJKKODMXSA-N	341.754	2.651	50	50	EFGA	
N#Cc1ccc(/C=N/NC(=O)CS[C@@H]2Nc3ccccc3O2)cc1	2325809517	DONGNKHORJXYGR-OXNWSPOFSA-N	338.392	2.530	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Cl)c1O	469957	JZOXQRIZRFISLH-CYBMUJFWSA-N	346.770	2.869	50	50	EFGA	
O=C(N/N=C/c1cccs1)c1ccc(Br)cc1O	126287	CGZFNBXRYXCQIG-VGOFMYFVSA-N	325.187	2.980	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	4372893	XASHRNJGIMGYGK-VBEHJTROSA-N	327.340	2.821	50	50	EFGA	
CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccco3)n[nH]2)c1O	12338701	CJTOOKQHRIUKGA-VCHYOVAHSA-N	340.339	2.538	50	50	EFGA	
COc1ccc(Cc2nnc(NC(=O)C(Cl)Cl)s2)cc1	73974	SJKWETAEUZHLRK-UHFFFAOYSA-N	332.212	2.880	50	50	EFGA	
Cn1cccc1CNC(=O)[C@]1(c2ccccc2)C[C@@H]1Br	1148114251	SFTXZPYELPTBRB-HOCLYGCPSA-N	333.229	2.747	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)o1	4086411	LYYKRKRSZRKROH-SRZZPIQSSA-N	335.363	2.621	50	50	EFGA	
O=C1Nc2ccccc2/C1=N\NC(=O)c1cc2ccccc2cc1O	5093953	YYYSAPYHFUIDIW-UHFFFAOYSA-N	331.331	2.632	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1	1875377888	QJJLLZCVWJMLAL-JQWIXIFHSA-N	337.811	2.541	50	50	EFGA	
Cc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1C	524811	GCVITEDCQKSBJM-SRZZPIQSSA-N	349.390	2.674	50	50	EFGA	
Cc1nn(C)c2c1[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	212229143	IJCMHHSFXFMZAI-CYBMUJFWSA-N	334.301	2.966	50	50	EFGA	in-vitro
CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	9357539	DVKGXWUGXDRWTM-JPEBENEDSA-N	327.171	2.796	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1ccc(F)cc1	91199	OHBPHEISTUCUBK-CQSZACIVSA-N	333.326	2.829	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)Cn2c(C)nc3ccccc32)c1O	5318827	LFDFUWQLVHFVMJ-CIAFOILYSA-N	348.406	2.929	50	50	EFGA	
CCCc1n[nH]c2c1[C@@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2	32540518	UGLLTZMPZFKQAV-HNNXBMFYSA-N	340.383	2.598	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)[C@H](C)Cn1cnc2ccccc21	544660	HGACQYGBLCDJOE-VPNURPJOSA-N	336.395	2.831	50	50	EFGA	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OCC	247197	RDMQILHMHPNZFJ-AAGJOFLKSA-N	344.411	2.686	50	50	EFGA	
O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1nnc(O)c2ccccc12	1875254067	INPXSUSWMXBGGW-HEZGOONSSA-N	336.395	2.877	50	50	EFGA	
CCCNC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(O)c2)cc1	3086076	FKCILQSWQQZKDT-UDWIEESQSA-N	340.383	2.688	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@H]2C1	16034172	JXBPZGRQWCDKGJ-DOTOQJQBSA-N	349.825	2.695	50	50	EFGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1	2572295	ASPJNDJYYQSCBM-YBFXNURJSA-N	329.787	2.991	50	50	EFGA	
CCNC(=O)NNC(=O)c1ccc(OCc2ccccc2)cc1Cl	5952572	HJXTWEWMJLRLAK-UHFFFAOYSA-N	347.802	2.883	50	50	EFGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)cc1	2509129	RBXYFJXWBGYNST-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
Cc1ccc2c(c1)OC/C2=N\NC(=O)COc1ccc(Cl)cc1	19925219	OIHGVIVOCNJNPQ-XDJHFCHBSA-N	330.771	2.940	50	50	EFGA	
C[C@H](Cl)C(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F	1875363641	OUIVXZJIMBNBKK-VHSXEESVSA-N	339.741	2.531	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C/c1cccc(Cl)c1Cl	381553	KAIKUBVSCGQRLG-QGMBQPNBSA-N	348.193	2.888	50	50	EFGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2)[C@H]2CSCC=C12	20598178	JWUYAWQXVCDGMQ-HOTGVXAUSA-N	336.395	2.982	50	50	EFGA	
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCl)cc1	20466403	NISPFLIZLROMEG-CYBMUJFWSA-N	344.864	2.817	50	50	EFGA	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	1959387	WNNJAEFWNIGYRY-LZYBPNLTSA-N	348.702	2.920	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)COc2ccccc2OC)c1O	436763	JRECZKUNBGGQNK-UDWIEESQSA-N	340.379	2.658	50	50	EFGA	
O=C(CNC(=O)Nc1ccc(F)cc1)N/N=C/C=C/c1ccccc1	2141317	ZCSDNJMOESLCHT-HJETYCPDSA-N	340.358	2.763	50	50	EFGA	
CCOC(=O)/C(C#N)=C1\SS/C(=C(/C#N)C(=O)OCC)S1	13152631	BJEFMLAPLDTDNB-OXAWKVHCSA-N	342.423	2.711	50	50	EFGA	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2	88429	WMXORYQRWGPQOF-KRWDZBQOSA-N	329.363	2.794	50	50	EFGA	
CNC(=S)NNC(=O)[C@H](Sc1ccccc1)c1ccccc1	7059256	HVDNHLCCSQLFMJ-CQSZACIVSA-N	331.466	2.645	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1	1426896	PIZOUDFQBDSZCO-INIZCTEOSA-N	347.349	2.896	50	50	EFGA	
O=C(OCc1ccccc1)N1CC[C@@H](I)C1	79436608	PHSGVWBPCLSEFX-LLVKDONJSA-N	331.153	2.833	50	50	EFGA	
C[C@@](O)(C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1	291310	SZKUHCTUAVXXPG-DZSVRRGNSA-N	334.375	2.903	50	50	EFGA	
C/C(=N\NC(=O)COc1ccc(C)cc1C)c1cc(O)ccc1O	5362711	DZYFNWSIQBFEIG-CPNJWEJPSA-N	328.368	2.634	50	50	EFGA	
CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@H](C)Cl	1875377184	AOQJKIDOANKFSL-QWHCGFSZSA-N	331.865	2.599	50	50	EFGA	
COc1cc(/C=N/NC(=O)CNc2cccc(Cl)c2)ccc1O	234714	SKOWXCYUOIFGAY-DJKKODMXSA-N	333.775	2.616	50	50	EFGA	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1	5296002	QCKWIXSVDXLJKA-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
O=C1O[C@H]2[C@H]3C[C@H]([C@H]2I)[C@H](c2ccccc2)[C@@H]13	254393367	HSYRRILDTLPLIV-RJRAAQABSA-N	340.160	2.765	50	50	EFGA	
CCOc1cccc(/C=N/NC(=O)CNc2ccc(C)cc2)c1O	274209	OQPXOJUOZTYPFT-RGVLZGJSSA-N	327.384	2.662	50	50	EFGA	
CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cl	1875377181	AOQJKIDOANKFSL-OLZOCXBDSA-N	331.865	2.599	50	50	EFGA	
Cn1c(SCC(=O)N/N=C/c2cccc(O)c2)nc2ccccc21	186597	YIQXAVQBAGSCOH-VCHYOVAHSA-N	340.408	2.521	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1O	354659	MFVXBBYBJMLBNC-YBFXNURJSA-N	328.368	2.628	50	50	EFGA	
O=C1C[C@]2(C[C@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1	4698183	LPSVVRZVYWYOIT-BXKDBHETSA-N	342.580	2.872	50	50	EFGA	
NNC(=O)[C@@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1	23115415	USHSXYIVPWRWHA-MRXNPFEDSA-N	325.412	2.681	50	50	EFGA	
CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(B(O)O)cnc21	575628950	HDGCIASUQDJZLL-UHFFFAOYSA-N	336.292	2.879	50	50	EFGA	
O=C(NCc1ccc(F)cc1)c1cc2ncc(CCCl)cn2n1	374115	OSRFDOYFPJXNKJ-UHFFFAOYSA-N	332.766	2.580	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)c1O	381631	YTMGPCQANKHWHS-YBFXNURJSA-N	326.400	2.544	50	50	EFGA	
CN1CC=C2[C@H](C1)[C@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N	998141	PJKGAOPDWIODDM-WMLDXEAASA-N	349.825	2.695	50	50	EFGA	
CC(/C=C/c1ccccc1)=N\NC(=O)c1nc2nc(C)cc(C)n2n1	195964	JPKHRLMFFDMVNL-SGXCZKNVSA-N	334.383	2.560	50	50	EFGA	
O=C(/C=C/c1ccccc1)NNC(=O)c1cccc(Br)c1	299077	SUOXMEUESSIQKN-MDZDMXLPSA-N	345.196	2.924	50	50	EFGA	
CCCCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2O)cc1	4372775	XNYJCTTXBFLNFR-UDWIEESQSA-N	342.395	2.970	50	50	EFGA	
O=S(=O)(c1ccccc1)N1[C@@H]2CC=CC=C[C@@H](Br)[C@@H]21	71785417	JOAGTKIFZPWHRX-GODZRQRCSA-N	340.242	2.708	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OCC)cc1	43571	GMGFTZKDXQGKCR-MRXNPFEDSA-N	328.368	2.730	50	50	EFGA	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	196620	YIFKSGVWRUTYNU-INIZCTEOSA-N	326.352	2.519	50	50	EFGA	
Cc1cc(C)n(CC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)n1	124484	WWRAUWOAXWJAPM-REZTVBANSA-N	325.199	2.957	50	50	EFGA	
CCCCCCO[C@@H](C)C(=O)NCCSSCCC(=O)O	1875355002	XBEDNWFYOSLYHI-LBPRGKRZSA-N	337.507	2.944	50	50	EFGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(C(F)(F)F)cc1	436554	JGZJFANUYPISON-REZTVBANSA-N	327.218	2.971	50	50	EFGA	
Cn1ccnc1-c1noc([C@]2(c3ccccc3)C[C@H]2Br)n1	1775993302	PSLRVCZGDGECNW-ABAIWWIYSA-N	345.200	2.923	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1OC	283257	REHSNYKEPSYMGR-HNNXBMFYSA-N	328.368	2.730	50	50	EFGA	
CCCC(=O)NC(=O)/C(C#N)=C/Nc1cccc(Br)c1	2027143	FWXGGGHCWWTZSI-MDZDMXLPSA-N	336.189	2.711	50	50	EFGA	
C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc([N+](=O)[O-])cc1	580511	JQXUKOJKVAURDO-QGOAFFKASA-N	327.340	2.822	50	50	EFGA	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1	4893147	WWWOWAJIUKSNRG-UHFFFAOYSA-N	343.383	2.572	50	50	EFGA	
N#Cc1ccc(NNC(=O)c2ccc(C#N)c(O)c2)c(C(F)(F)F)c1	799752596	QABDCZFDMMGGOX-UHFFFAOYSA-N	346.268	2.911	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C/c1c(Cl)cccc1Cl	381557	FYEQAZAEKRADGR-QGMBQPNBSA-N	348.193	2.888	50	50	EFGA	
N#C/C(=C\c1cn(CC(N)=O)c2ccccc12)C(=O)Nc1ccccc1	367454	LCUYFOKGCDDMNO-GXDHUFHOSA-N	344.374	2.672	50	50	EFGA	
COc1ccc(OCC(=O)N/N=C/c2cccc3cccnc23)cc1	434859	VCONWJYQGFEVNW-CIAFOILYSA-N	335.363	2.773	50	50	EFGA	
CO[Si](CCCCCCCCCCCNCCN)(OC)OC	170013050	MNEXIOKPOFUXLA-UHFFFAOYSA-N	334.577	2.924	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1	5018654	JHTBVBWKPUZBJB-LICLKQGHSA-N	326.381	2.911	50	50	EFGA	
Cc1sccc1CN(C[C@](C)(O)C(F)(F)F)C(=O)CCl	1875382761	PLBFKCGBXBYELM-NSHDSACASA-N	329.771	2.937	50	50	EFGA	
COC(=O)N1[C@]2(C)C[C@H](Br)[C@H](Br)C[C@@]12C	101042686	YTEVIEXXRRVNPO-XHUQMMRNSA-N	341.043	2.907	50	50	EFGA	
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1cccnc1	5009717	SJMLKFCXSQENJI-RQZCQDPDSA-N	334.173	2.704	50	50	EFGA	
O=C(N[C@@H](C(Cl)Cl)N1CCOCC1)c1ccc(Cl)cc1	4831558	NJKVJXRSMWZPEN-GFCCVEGCSA-N	337.634	2.532	50	50	EFGA	
CCOc1ccc(OC)cc1/C=N/NC(=O)COc1cccc(C)c1	4956144	AEWHSDUCQDWFSS-UDWIEESQSA-N	342.395	2.931	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1	9302063	VGRGBWWVVHTABU-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
COCc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)ccc1OC	370740	KJCVGGHARKSLKY-UDWIEESQSA-N	342.395	2.543	50	50	EFGA	
O=C(N/N=C/c1ccccc1Br)c1n[nH]c2c1CCCC2	186655	DYMDVTODFKTEDJ-RQZCQDPDSA-N	347.216	2.815	50	50	EFGA	
O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccccc1Cl	2553381	GATCVZXFVZQSEK-KEBDBYFISA-N	340.770	2.910	50	50	EFGA	
CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1	182583	KZMBDFRDCGEJKJ-LJQANCHMSA-N	348.406	2.929	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1	1875374190	DYSQGTTXFNZLDT-RYUDHWBXSA-N	341.814	2.813	50	50	EFGA	
O=C(COc1ccccc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1	566475	YTERVXYMBJIHDL-RQZCQDPDSA-N	333.731	2.777	50	50	EFGA	
COC(=O)/C(CC(=O)C(C)(C)C)=N/NC(=O)c1ccc(Cl)cc1	17186008	JHUFWFUUOIKKPE-LDADJPATSA-N	338.791	2.604	50	50	EFGA	
COc1ccccc1CN/C(C)=C(/C#N)C(=O)NCc1ccccc1	4785237	YRGNAMCRFUTEPD-SDXDJHTJSA-N	335.407	2.899	50	50	EFGA	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1c(F)cccc1Cl	32919338	LRWKEWCMOAQDGS-LBPRGKRZSA-N	347.173	2.889	50	50	EFGA	
CC[C@@H](CCl)NC(=O)c1cccc(C(=O)N[C@H](CC)CCl)n1	336093	LNJRVGTVRPXVJN-PHIMTYICSA-N	346.258	2.576	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccccc1F	91451	XWGDOSVVASYLQE-AWEZNQCLSA-N	333.326	2.829	50	50	EFGA	
Cc1ccc(C(=O)/C=C/NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	2893239	DRTZHQVLYXMLCG-MDZDMXLPSA-N	325.324	2.534	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1	1875364838	VKGXGEDRSIFCGB-ZDUSSCGKSA-N	333.819	2.613	50	50	EFGA	
O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[C@@H]2Br	1775993847	MOLBUIYFMDGWMI-LBPRGKRZSA-N	339.189	2.984	50	50	EFGA	
Nc1nonc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	51644	CVOFGXQAPUQZAM-KEBDBYFISA-N	331.335	2.722	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1CC(C)(C)CC2=O	72411	ZMBFYTOJFYKXFM-HNNXBMFYSA-N	342.468	2.961	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O	9008678	JRFJENPKQBOWSQ-YBFXNURJSA-N	326.400	2.905	50	50	EFGA	
C[C@@H](NC(=S)NNC(=O)CCc1ccccc1)c1ccccc1	6525395	HPDLXRKTELKTKE-CQSZACIVSA-N	327.453	2.876	50	50	EFGA	
COc1cccc(NC(=O)C(=O)N/N=C(C)/C=C/c2ccccc2)c1	43639793	UIMZNNPEVBIRAN-BYZGDSIHSA-N	337.379	2.839	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1	1875377656	KIGBLCAHMXVJCD-KOLCDFICSA-N	348.752	2.550	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)CSc1nc(C)cc(C)n1	186593	WOXXFSIMTXQBAQ-VCHYOVAHSA-N	344.440	2.735	50	50	EFGA	
CC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)C)c(Br)c1	4498467	FDEDAMPIZZBCAQ-GHXNOFRVSA-N	336.233	2.947	50	50	EFGA	
CCOC(=O)C1=C(N)OC(CCl)=C(C#N)[C@H]1c1ccc(F)cc1	2795996	APBDDSFBWFIDGJ-CYBMUJFWSA-N	336.750	2.689	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2cccc(C)c2)c([N+](=O)[O-])cc1OC	271295	GACZWDHKPBWDFF-VCHYOVAHSA-N	343.339	2.684	50	50	EFGA	
O=C(Cc1cccs1)N/N=C/c1cc(Br)ccc1O	12558898	OGKNEGABTCKPRL-OVCLIPMQSA-N	339.214	2.909	50	50	EFGA	
C/C(=N\NC(=O)Nc1cc(F)cc(F)c1)c1ncccc1C(=O)O	13827811	IRJQWZWMQCVOLA-DNTJNYDQSA-N	334.282	2.604	50	50	EFGA	
O=C(N/N=C/c1ccc(Br)cc1)c1cc(O)ccc1O	13321381	HEKTYJCCAGMEDO-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)[C@@H]1COc2ccccc2O1	291205	MWVCFXCVAWYSMB-HGMDMCOWSA-N	335.363	2.766	50	50	EFGA	
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(Cl)cc1	478840	HYBZMDLVPQWAAG-DJKKODMXSA-N	347.758	2.570	50	50	EFGA	
O=C1[C@H](Cl)O[C@](O)(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@]12Cl	5941996	BZGQLKJNISWUDN-UCROKIRRSA-N	346.808	2.694	50	50	EFGA	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1cc2ccccc2nc1C	13476640	PUPLKMFOEMRPHR-UHFFFAOYSA-N	344.374	2.938	50	50	EFGA	
CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@@H]2C1	231382160	ZEHUQTHLSUQWEG-NJAFHUGGSA-N	349.825	2.694	50	50	EFGA	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2	88422	WMXORYQRWGPQOF-QGZVFWFLSA-N	329.363	2.794	50	50	EFGA	
COc1nccnc1NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	131947051	ULZOQTJVBFGOPS-FGKMVVGBSA-N	330.432	2.925	50	50	EFGA	
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@@H](C)Cl	1875363677	ROAIPSQPFYSWSH-CHWSQXEVSA-N	337.851	2.747	50	50	EFGA	
CC(C)(C)C(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl	2886269	PARYXWHDTYLTQP-UHFFFAOYSA-N	348.255	2.675	50	50	EFGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(N)=O)cc2)cc1	2519902	MGLKUOPUQJIVGR-UDWIEESQSA-N	341.367	2.697	50	50	EFGA	
N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@@H](C#N)[C@H]2CCCC=C12	19827351	FZNFUVUESUJZPJ-VDZJLULYSA-N	345.362	2.972	50	50	EFGA	
CCc1c(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)csc1C	5060439	BSKCUWULLQVIPJ-UHFFFAOYSA-N	348.384	2.994	50	50	EFGA	
CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	4312729	HGXBAPBGIQXDEV-DEDYPNTBSA-N	333.395	2.907	50	50	EFGA	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2)cc1	100338946	LLMRPFDMOGEGSQ-DEDYPNTBSA-N	325.368	2.830	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)[C@@H](C)Sc1nc(C)cc(C)n1	188493	ZHLTZHQTOUDDPX-HVOBPNNYSA-N	344.440	2.733	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@H](c2ccsc2)C2=C1CC(C)(C)CC2=O	72398	WKEKXOFWVFGEEK-HNNXBMFYSA-N	342.468	2.961	50	50	EFGA	
O=C(COc1ccccc1Cl)N/N=C/c1ccc2c(c1)OCO2	566698	CVDLAXCOXRLGNC-QGMBQPNBSA-N	332.743	2.598	50	50	EFGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(F)c2)[C@@H]2CSCC=C12	20598179	JWUYAWQXVCDGMQ-CVEARBPZSA-N	336.395	2.982	50	50	EFGA	
O=C(Nc1c[nH]nc1[C@H]1CCCN(C(=O)CCl)C1)c1ccccc1	1875375280	XAKGHVZMCXVWOQ-ZDUSSCGKSA-N	346.818	2.607	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1	1875377380	DFPNDLXKSVLDQL-YUELXQCFSA-N	326.868	2.786	50	50	EFGA	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccn4)c32)c1	91175	YJNRSCUAVMMKAC-HNNXBMFYSA-N	345.362	2.698	50	50	EFGA	
CCCC[C@H](c1ccccc1)c1nc(-c2ccc(B(O)O)cc2)no1	606241693	YYRWOXGGRGJEOP-QGZVFWFLSA-N	336.200	2.739	50	50	EFGA	
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)CCl	1875369727	CVTVVHGFTYBABV-AWEZNQCLSA-N	338.835	2.703	50	50	EFGA	
O=C(Cc1ncc(C(F)(F)F)cc1Cl)NNc1cccc(F)n1	1407136	AQFBSTJKGCSIHY-UHFFFAOYSA-N	348.687	2.974	50	50	EFGA	
Cc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cc(O)cc(O)c2)cc1	13322086	KXTLUUCWVGMOFP-KEBDBYFISA-N	336.351	2.560	50	50	EFGA	
OB(O)c1cccc(COc2cc(C(F)(F)F)ccc2Cl)c1	169877338	IRBNKOHBJCGIFU-UHFFFAOYSA-N	330.498	2.618	50	50	EFGA	in-vitro
O=C(NN=C1CCCCCC1)c1ccc(CN2CCOCC2)cc1	19770702	MTPGHVVKPYDIMW-UHFFFAOYSA-N	329.444	2.959	50	50	EFGA	
Cc1ccc(C(=O)NNC(=O)[C@H]2Cc3c(ccc4ccccc34)O2)cc1	1394579	YPUXAJCUYCVLAJ-LJQANCHMSA-N	346.386	2.913	50	50	EFGA	
CCCCNC(=O)NNC(=O)CSCc1ccc(F)cc1Cl	17072317	LPUMJNNEILNRTO-UHFFFAOYSA-N	347.843	2.843	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1	169908549	CTTUCRCMIGACRJ-QLFDAEIZSA-N	338.879	2.501	50	50	EFGA	
C[C@H]1C=CCC(C)(C)[C@H]1C(=O)C[C@@H](C)NNC(=O)c1ccncc1	5041601	DFOMBGOIZRDJAG-JJRVBVJISA-N	329.444	2.902	50	50	EFGA	
CC1(C)Cc2c(sc3ncnc(NNC(=O)c4ccco4)c23)CO1	434276	QDIDFLVMIZWFMI-UHFFFAOYSA-N	344.396	2.893	50	50	EFGA	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1	8183781	DKSMJHNBYPZHJS-VXGBXAGGSA-N	344.864	2.531	50	50	EFGA	
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccnc1	1428248	UZAJNUKWJKIJBU-CQSZACIVSA-N	333.372	2.875	50	50	EFGA	
Cc1ccccc1/C=N/NC(=O)c1nn(C)c(C)c1Br	17070574	GIEMXZXVAGKVPC-LZYBPNLTSA-N	335.205	2.563	50	50	EFGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccco2)cc1)c1ccccn1	359112	WHGZGSVMCJFTBI-UDWIEESQSA-N	335.319	2.658	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1	1875378053	UXDYJOJIHSJCRO-KOLCDFICSA-N	339.773	2.887	50	50	EFGA	
CNC(=S)NNC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12	6846656	LCVCDTHFTPXMAJ-UHFFFAOYSA-N	340.408	2.542	50	50	EFGA	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1	288991	JLRSANOVAAJOLA-FXFXYLOPSA-N	327.428	2.735	50	50	EFGA	
CCn1c(SCC(=O)N/N=C/c2ccco2)nc2ccccc21	5297277	FITQXOPKJRTHTF-LICLKQGHSA-N	328.397	2.892	50	50	EFGA	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(N)=O	122447	XBDBTAQTJSTHBG-FMIVXFBMSA-N	325.755	2.985	50	50	EFGA	
CNC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	6734726	LZHWHRQRNYRPKH-UHFFFAOYSA-N	336.420	2.641	50	50	EFGA	
CC(C)C(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1	3132002	YIPHXXJNZRKAAH-LDADJPATSA-N	346.408	2.560	50	50	EFGA	
CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@H]1NC(=O)CCl	1875369907	PONISFCDKBGDCI-YPMHNXCESA-N	330.856	2.815	50	50	EFGA	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2O)c([N+](=O)[O-])c1	334162612	COARXSYOKGLVFX-WQLSENKSSA-N	339.307	2.855	50	50	EFGA	
COc1cc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc(OC)c1OC	245238690	YTBVKQCZRNEDCW-HUQCFVBDSA-N	332.400	2.599	50	50	EFGA	
O=C(NNC(=O)c1ncccc1Cl)c1ccc(Cl)cc1F	794365823	LDWMMGNPJXCVDU-UHFFFAOYSA-N	328.130	2.602	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(C(F)(F)F)cc1	5905596	RHEHMZXCCHXTIZ-AWQFTUOYSA-N	347.300	2.600	50	50	EFGA	
CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)Cl)cn1	1875375605	FUDMIQHFFZUUFA-CJNGLKHVSA-N	335.835	2.593	50	50	EFGA	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2	273756	KZHUCPAYQDPBSZ-SFHVURJKSA-N	343.390	2.853	50	50	EFGA	
COc1cccc(C(=O)NNC(=O)c2cccc(Br)c2)c1	299883	UBFPYFMTYXXKDQ-UHFFFAOYSA-N	349.184	2.533	50	50	EFGA	
O=C(CN1CCSCC1)N/N=C/c1ccc(-c2ccccc2)cc1	283435	VUZPADGKGAWIGT-XSFVSMFZSA-N	339.464	2.853	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1	1875377889	QJJLLZCVWJMLAL-PWSUYJOCSA-N	337.811	2.541	50	50	EFGA	
CCCc1n[nH]c2c1[C@@H](c1ccc(NC(C)=O)cc1)C(C#N)=C(N)O2	6493345	TVHIJXWMUZIEGQ-HNNXBMFYSA-N	337.383	2.539	50	50	EFGA	
CN(C)NC(=O)c1cc(C(=O)c2ccc(Cl)cc2Cl)c[nH]1	3069952	OWCKFLRXYJWWKV-UHFFFAOYSA-N	326.183	2.759	50	50	EFGA	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccsc4)[C@@H]3[C@H]1CC2	149594268	FJJCTRCHQLJSEN-VDNDLQMASA-N	347.447	2.634	50	50	EFGA	
O=C(Cn1cnc2ccccc21)N/N=C/c1c(F)cccc1Cl	228786	BJWKQWGQCAWFAI-DNTJNYDQSA-N	330.750	2.979	50	50	EFGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1	4259533	HFFFYGWRBZZQGT-KEAYEENMSA-N	337.379	2.839	50	50	EFGA	
CCOc1cccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)c1O	5403136	FNLKCYYLPVTPIH-VCHYOVAHSA-N	330.388	2.575	50	50	EFGA	
C/C(=N\NC(=O)Cc1cccn1C)c1cccc(Br)c1	4483005	CXLIITHOISYCPH-GZTJUZNOSA-N	334.217	2.871	50	50	EFGA	
Cc1cc(/C=N/NC(=O)c2ccsc2)c(C)n1-c1cnccn1	4109960	BERJKSIBMKTWET-UFWORHAWSA-N	325.397	2.710	50	50	EFGA	
COC(=O)c1c(F)cccc1NNC(=O)c1cnn(CC(C)C)c1C	408516199	XYGDIWFWACSJQU-UHFFFAOYSA-N	348.378	2.530	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1	1875363753	XWBNPJLZSYQMSQ-ZDUSSCGKSA-N	330.815	2.752	50	50	EFGA	
CS(=O)(=O)c1cc(Br)ccc1CBr	154141	PJFOHHNHJUOESV-UHFFFAOYSA-N	328.025	2.748	50	50	EFGA	in-vitro
O=C(CN1CCCCCC1)N/N=C/c1ccc(Br)s1	4990481	YDYNSPKKPHTERW-OQLLNIDSSA-N	344.278	2.837	50	50	EFGA	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	566314	XRLMWAVFKREXAH-VCHYOVAHSA-N	327.340	2.741	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2Cl)C2=C1CCCC2=O	72347	ABEVPTIRWDFIDX-INIZCTEOSA-N	342.830	2.917	50	50	EFGA	
C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	4593449	JSQUMGQCQQTPJS-MRXNPFEDSA-N	336.347	2.731	50	50	EFGA	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1C(=O)O	4974056	NREUYNCSBGDFLU-WQLSENKSSA-N	338.319	2.645	50	50	EFGA	
CCn1nc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	372254	ZVBGJHOFLZEVIT-MRXNPFEDSA-N	340.427	2.971	50	50	EFGA	
Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(Br)cc1	447767	UQARDOTYDMMWDM-CAOOACKPSA-N	335.205	2.859	50	50	EFGA	
COc1ccc(/C(C)=N\NC(=O)CNc2ccccc2C)cc1OC	4982030	XUEADYDTBRKDOG-STZFKDTASA-N	341.411	2.965	50	50	EFGA	
Cc1nn(C)cc1/C=N/NC(=O)C(C)(C)Oc1ccc(Cl)cc1	374542	AVUWXPTUBUDVBQ-GIJQJNRQSA-N	334.807	2.690	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCC[C@H](CNC(=O)Nc2ccc(F)cc2)C1	1875374191	DYSQGTTXFNZLDT-VXGBXAGGSA-N	341.814	2.813	50	50	EFGA	
O=C(N/N=C/c1ccc(O)cc1)c1n[nH]c2c1CCc1ccccc1-2	5313664	BFOHVHXZHBQBNJ-RGVLZGJSSA-N	332.363	2.645	50	50	EFGA	
CSc1nnc(CCCNC(=O)[C@@H](C)Cl)n1C1CCCC1	1875363781	AANGFOJWGUFEJX-SNVBAGLBSA-N	330.885	2.791	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	70992	CSSXJVCMPZLGJK-MRXNPFEDSA-N	326.352	2.519	50	50	EFGA	
O=C(Cc1cccs1)NNC(=S)NCc1ccc(Cl)cc1	609473	IYPPQSUPZUCBSK-UHFFFAOYSA-N	339.873	2.640	50	50	EFGA	
Cc1n[nH]c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	32513703	VPLUTCSIJJHFIH-LBPRGKRZSA-N	331.173	2.699	50	50	EFGA	
O=C(NCC(Cl)Cl)Nc1ccc(F)nc1Br	1775993593	HEXBGZWDHDRSCL-UHFFFAOYSA-N	330.972	2.908	50	50	EFGA	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(Cl)cc2)n1	3130324	PXBUXLZRHYSXNR-CAOOACKPSA-N	334.832	2.989	50	50	EFGA	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)NN	254546587	VVTXMFGLOIFEKN-OHZYOOSQSA-N	332.488	2.916	50	50	EFGA	
C[C@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(N(C)C(=O)c1ccccc1)C2	1875378117	VVPQWUQARUMVAN-QEJZJMRPSA-N	334.847	2.908	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc2c(c1Cl)OCO2	408243	UHVLHXJBIDQGRO-ZDUSSCGKSA-N	344.754	2.883	50	50	EFGA	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccco2)c1	1392918	FMYOTJVOKHQZMG-VIZOYTHASA-N	339.145	2.520	50	50	EFGA	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1)c1cncc(Br)c1	32666336	ONYRMWPBJFQUQC-SOFYXZRVSA-N	349.144	2.516	50	50	EFGA	
Cc1nc2[nH]c(C(=O)NCCSSCCC(=O)O)cc2s1	1875388583	HKJZQMLTFSJPRI-UHFFFAOYSA-N	345.471	2.519	50	50	EFGA	
CCCNC(=O)NNC(=O)c1ccc(COc2cc(C)cc(C)c2)o1	17071990	JVTLXQGYFDQYGS-UHFFFAOYSA-N	345.399	2.829	50	50	EFGA	
CCc1ccc(OCC(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1	4229212	ROYMIYOWRXXHAH-CIAFOILYSA-N	349.390	2.620	50	50	EFGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1coc2ccccc2c1=O	2821088	GZQRQWVBINLKBF-DYZYQPBXSA-N	348.358	2.854	50	50	EFGA	
COc1ccc(C(=O)N/N=C2\C(=O)Nc3c2ccc(Cl)c3C)cc1	6556441	QPLYSTRRSZENJH-UHFFFAOYSA-N	343.770	2.743	50	50	EFGA	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)Nc1ccc2c(c1)OCO2	17070678	HEFSSBGXBBBOGR-LFYBBSHMSA-N	336.303	2.690	50	50	EFGA	
Nc1c(Cl)c(Cl)nc(C(=O)N/N=C/c2cccnc2)c1Cl	19638197	NEWZLXRCASXNRT-BLLMUTORSA-N	344.589	2.783	50	50	EFGA	
C/C(CCn1c(=O)sc2ccccc21)=N\NC(=O)c1ccncc1	5494692	RUQUPZNQLRJFJR-XDHOZWIPSA-N	340.408	2.654	50	50	EFGA	
Cn1ccnc1-c1noc([C@]2(c3ccccc3)C[C@@H]2Br)n1	1775993310	PSLRVCZGDGECNW-NHYWBVRUSA-N	345.200	2.923	50	50	EFGA	
O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1ccccn1	611001	ASVKZPIPLOBCCU-UHFFFAOYSA-N	340.330	2.732	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1	1875364586	XFVJFFYJQGNGDW-RYUDHWBXSA-N	343.254	2.569	50	50	EFGA	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)Nc2ccc(F)cc2)c1	17067972	ZPJWOFVVFFJJBU-GFCCVEGCSA-N	331.347	2.754	50	50	EFGA	
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1cccnc1	13595808	GRNNHVFQZOZGJB-RGVLZGJSSA-N	325.397	2.590	50	50	EFGA	
CCCCNS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1	2735965	IKVPFXGHRRWGLJ-UHFFFAOYSA-N	339.244	2.507	50	50	EFGA	
F[C@H]1C[C@H]2[C@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F	245236149	QETLGKWBLPLOEM-FCAWWPLPSA-N	330.041	2.943	50	50	EFGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc2ccccc2n1	343527	OSPHCRUOZBWROX-VCHYOVAHSA-N	336.307	2.613	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(F)c(F)c1	293506	VHDHTFQERUSLIM-CQSZACIVSA-N	334.322	3.000	50	50	EFGA	
Cc1ccccc1/C=N/NC(=O)c1c(Br)c(C)nn1C	12648922	GITXOSSQHWCIJU-LZYBPNLTSA-N	335.205	2.563	50	50	EFGA	
O=C(CCc1ccccc1)NNC(=S)Nc1ccc(F)cc1F	6829461	ABUAIXPTWLVUIY-UHFFFAOYSA-N	335.379	2.915	50	50	EFGA	
Cc1nn(C)c(C)c1CCC(=O)OC[C@]1(C)C[C@H]1Br	888099537	PDXWGQVIIBRQJT-OCCSQVGLSA-N	329.238	2.686	50	50	EFGA	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccccc1O	261328	LLVSMFVRKYNOSB-RQZCQDPDSA-N	349.184	2.684	50	50	EFGA	
C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(N(C)C)cc1	5570321	FQTOIDBJOZEFFX-OOXYOOLHSA-N	349.438	2.889	50	50	EFGA	
COc1ccc(CNC(=O)[C@@H](C)Cl)cc1COC1CCOCC1	1875364856	WLNWUTSPTFQMOI-GFCCVEGCSA-N	341.835	2.634	50	50	EFGA	
O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(Br)c1	2892350	NMVHIAHFNQOKDA-LICLKQGHSA-N	346.184	2.538	50	50	EFGA	
CC1(C)OB(c2cccc(OCCBr)c2)OC1(C)C	169747458	AFIJFVBZZHBRBB-UHFFFAOYSA-N	327.027	2.760	50	50	EFGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OC	3667175	ZJWWTUMDFLLPDC-MRXNPFEDSA-N	326.352	2.506	50	50	EFGA	
C/C(Cn1nnc2ccccc21)=N\NC(=O)c1cc(Cl)ccc1O	5494629	RYAVOZCIVCHEPR-VCHYOVAHSA-N	343.774	2.596	50	50	EFGA	
CCOC(=O)c1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1	2857509	VSVQFLUJHIJAAU-UHFFFAOYSA-N	339.417	2.589	50	50	EFGA	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)[nH]n1	9176210	FNAUOFCIRPRJPF-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1	1427246	KCNXNRFKTQMFII-MRXNPFEDSA-N	329.359	2.757	50	50	EFGA	
O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Cl)cc2)n[nH]1	263330	GHMMYMIBYJUULG-VXLYETTFSA-N	325.759	2.889	50	50	EFGA	
Cc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)c(C)c1	491630	AYSDGMLJMFWPBW-UHFFFAOYSA-N	329.425	2.700	50	50	EFGA	
CCSc1cc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c(C)o1	618574	LUGUILBIPHXDCT-AWEZNQCLSA-N	334.397	2.955	50	50	EFGA	
O=C(COc1cccc2ccccc12)N/N=C/c1ccc(O)cc1O	510688	XZUZXNIRRZCISI-RGVLZGJSSA-N	336.347	2.780	50	50	EFGA	
O=C(N/N=C/c1ccc(O)cc1)c1cc(Br)ccc1O	244899	UPNJPPFLPVYSNN-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
O=C(CCl)N1CCN([C@H](c2ccccc2)C2CCOCC2)CC1	1875386916	DWCGNWLFDAOFSP-GOSISDBHSA-N	336.863	2.537	50	50	EFGA	
Cc1nc2ccccc2cc1C(=O)N/N=C1\C(=O)N(C)c2ccccc21	5730199	QMZDRXSMCXIEFR-PYCFMQQDSA-N	344.374	2.654	50	50	EFGA	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1O	36782	YKNBWYUQARFGAW-MRXNPFEDSA-N	340.379	2.852	50	50	EFGA	
Cc1cc(C)c(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)c1	4229636	MJTYGFRZCMUYKG-KEBDBYFISA-N	327.359	2.840	50	50	EFGA	
C#CC[C@@]1(C(=O)NCCSSCCC(=O)O)CC=CCC1	1875388424	ANFWEKYKIKZSLB-OAHLLOKOSA-N	327.471	2.709	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1	1875370160	DKSXSKPLIVKNOI-SNVBAGLBSA-N	340.773	2.550	50	50	EFGA	
CCOC(=O)c1ccccc1N/C=C(\C#N)C(=O)NCc1ccccc1	433300	OTSXYGUPPNOVFE-JQIJEIRASA-N	349.390	2.999	50	50	EFGA	
CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1ccccc1C	25758305	AEDOWKWQQNUSKG-GLYKGKQWSA-N	335.407	2.930	50	50	EFGA	
CC(C)(C)c1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)cc1	435621	NYNUSOJZBNDDPL-UDWIEESQSA-N	335.411	2.879	50	50	EFGA	
COc1nc(CNC(=O)[C@H](C)Cl)ccc1OCc1ccccc1	1875376508	ZFIVMDYGMLDHKY-LBPRGKRZSA-N	334.803	2.913	50	50	EFGA	
C[C@@H](CC(=O)NNc1nc2ccccc2c(=O)[nH]1)c1cccc(F)c1	137131069	YJJPGBAIPXCHCQ-NSHDSACASA-N	340.358	2.699	50	50	EFGA	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1coc2ccc(C)cc2c1=O	2758962	TVOBMKFZGKKXRA-BFTHVDOESA-N	327.336	2.587	50	50	EFGA	
O=C(NNC(=O)c1ccc(O)cc1)Nc1ccccc1C(F)(F)F	2143626	ULGHECKMPYIVNV-UHFFFAOYSA-N	339.273	2.878	50	50	EFGA	
C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C#N	253500243	ZYVHLUFQSVBNFH-BCPGGHEJSA-N	329.440	2.744	50	50	EFGA	biogenic
O=[N+]([O-])c1nc(Br)ccc1OCCBr	117187614	ZNBFTZFRDNOSIR-UHFFFAOYSA-N	325.944	2.526	50	50	EFGA	
Cn1c(SCC(=O)N/N=C/c2cccs2)nc2ccccc21	55607	RDMKBLFCWUUYEL-CXUHLZMHSA-N	330.438	2.877	50	50	EFGA	
Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)ccc1Cl	449810	MULMKUSYTASGLG-FRKPEAEDSA-N	337.719	2.679	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@H]2C1	60393	PWWWVQAOIOLFPC-FUHWJXTLSA-N	347.397	2.571	50	50	EFGA	
O=Cc1ccccc1P(c1ccccc1C=O)c1ccccc1C=O	169658836	UYVNSMJGMCPGFL-UHFFFAOYSA-N	346.322	2.882	50	50	EFGA	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC	5608166	WSGYZONUSLKJMW-MRXNPFEDSA-N	340.383	2.734	50	50	EFGA	
C/C(=N\NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	4956051	PBVQGJIVDMKFAZ-GZTJUZNOSA-N	342.311	2.586	50	50	EFGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1	3667176	BHZDMRYJUXIQQI-INIZCTEOSA-N	326.352	2.506	50	50	EFGA	
Cc1cc2c(c(C(=O)NCCSSCCC(=O)O)c1)OCC2	1875388928	VVQGPRPNXVUXII-UHFFFAOYSA-N	341.454	2.516	50	50	EFGA	
COc1cc(OC)cc(C(=O)NN/C(C)=C(\C#N)c2ccccc2)c1	4618954	IIIUZRKDFIYUOF-QGOAFFKASA-N	337.379	2.893	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1O	260127	FIHAPRBTCJONEB-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1OC	16994684	UXAFJMZOQXYMJY-QWHCGFSZSA-N	332.381	2.636	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl	4302534	MNKKUPWYKAQLIH-YBFXNURJSA-N	345.786	2.828	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1	1427311	CXHDBZSZQKGNKB-INIZCTEOSA-N	347.349	2.896	50	50	EFGA	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)NC2CCCCC2)cc1	1075691	LULHOHOOMNWKJV-UHFFFAOYSA-N	346.431	2.558	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1	1875363976	GMIKHDZQWVXCRC-CQSZACIVSA-N	344.846	2.810	50	50	EFGA	
Cc1nn(C)c(C)c1CCC(=O)OC[C@@]1(C)C[C@H]1Br	888099538	PDXWGQVIIBRQJT-TZMCWYRMSA-N	329.238	2.686	50	50	EFGA	
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)[C@@H](C)Br	252695208	WHGSOHNKNMRDEK-OSAQELSMSA-N	337.261	2.913	50	50	EFGA	biogenic
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(C2CC2)n[nH]1	13115053	IUKZVZSFSXWWAS-RGVLZGJSSA-N	348.410	2.854	50	50	EFGA	
CCc1n[nH]c2c1[C@@H](c1ccc(Br)cc1)C(C#N)=C(N)O2	1004518	DQEHOBBJWPEJDS-LBPRGKRZSA-N	345.200	2.953	50	50	EFGA	
N#Cc1cc(CN2CCN(C(=O)CCl)CC2)c2ccccc2c1	1875387039	KYSQSSMYYPVSQL-UHFFFAOYSA-N	327.815	2.594	50	50	EFGA	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccccc1F	58568	JKDLUVYQBOMYLJ-ZDUSSCGKSA-N	336.750	2.689	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1	59644	JNDZWQVHOUWWQM-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
Cc1ccc(NCC(=O)N/N=C\c2cc3c(cc2Cl)OCO3)cc1	32606173	OSSANAMIEZHJCH-ZBKNUEDVSA-N	345.786	2.939	50	50	EFGA	
Cc1nn(C)c(C)c1/C=N/NC(=O)C(C)(C)Oc1ccc(Cl)cc1	374581	FCNJFWZPYOYKJX-VXLYETTFSA-N	348.834	2.998	50	50	EFGA	
Cc1ccc(NC(=O)NNc2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1	4828987	NZYOIPWTMQJUMC-UHFFFAOYSA-N	330.300	2.750	50	50	EFGA	
COc1ccc(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)cc1	2544263	CDTXCSLDCVHVSH-RUKGVYQZSA-N	337.379	2.839	50	50	EFGA	
CN(C)c1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1	536123	WISXBNXLCVGCAJ-FYJGNVAPSA-N	335.411	2.643	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C/c1ccc(Cl)cc1Cl	251994	BUFBMGHBVIQHTF-QGMBQPNBSA-N	348.193	2.888	50	50	EFGA	
O=C(N/N=C/c1cc(Br)ccc1O)c1ccc(O)cc1	498078	KXCCEJHKBHGWHY-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
Cc1ccc(S(=O)(=O)OCCCI)cc1	43214787	APGJRDULKKLXMF-UHFFFAOYSA-N	340.182	2.525	50	50	EFGA	
CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)[C@H](Br)C1	396137663	MTHBKYXJSOPDME-GMSGAONNSA-N	348.159	2.684	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1	349308	LCSZTJWJBVOGTM-DEDYPNTBSA-N	337.379	2.586	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@H]2C1	13739345	KTAHSMRHFRKCBY-DLBZAZTESA-N	349.463	2.882	50	50	EFGA	
CC(C)Oc1ccc(/C=N/NC(=O)CSc2ncccn2)cc1	233705	QRRWIRSMAJZBFD-VXLYETTFSA-N	330.413	2.506	50	50	EFGA	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1	439189	PZAKAFVYPOWITI-CXUHLZMHSA-N	336.189	2.872	50	50	EFGA	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1	17071196	SUZANBUJOIFNPF-CABCVRRESA-N	340.339	2.551	50	50	EFGA	
Cc1cccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C	565492	IVRQHNMUVUWFER-VCHYOVAHSA-N	327.340	2.741	50	50	EFGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)[C@@H]1COc2ccccc2O1	192756	DOWSORIDOINJND-QVQQHXNLSA-N	348.358	2.836	50	50	EFGA	
C#CC[C@]1(C(=O)NCCSSCCC(=O)O)CC=CCC1	1875388423	ANFWEKYKIKZSLB-HNNXBMFYSA-N	327.471	2.709	50	50	EFGA	
Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)c1	2451456	GRCLPQDJHXLLRM-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
COc1ccc(OCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1	8182485	WMNNXMNHOASYGF-LDADJPATSA-N	343.339	2.523	50	50	EFGA	
C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(F)cc1	4680062	KDJPXTUOJYNCES-XDHOZWIPSA-N	325.347	2.501	50	50	EFGA	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccncc1	59396	IDQNMTXQXYTHTB-MRXNPFEDSA-N	347.374	2.864	50	50	EFGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1	4366374	NGNWYUDJZWPIRG-MBNTZHJCSA-N	343.339	2.521	50	50	EFGA	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccc(O)cc1	298872	RTYSAWUSEWXAIB-UHFFFAOYSA-N	346.386	2.985	50	50	EFGA	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	208492	IOLNKCFSCFHIQL-CQSZACIVSA-N	326.377	2.888	50	50	EFGA	
CC(C)CNC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2	8681010	UEVJINGODJMHNY-JTQLQIEISA-N	325.503	2.638	50	50	EFGA	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1	2383753	ICEOEKXOOZTZLJ-KEBDBYFISA-N	335.285	2.794	50	50	EFGA	
CCOc1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1OCC	17071656	DJIWKUSMPVGIKG-UHFFFAOYSA-N	343.383	2.951	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)CN2CCCCCCC2)ccc1OC	293479	OKPWVKBOTCPGTL-XSFVSMFZSA-N	347.459	2.810	50	50	EFGA	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1	12504878	DKSMJHNBYPZHJS-TXEJJXNPSA-N	344.864	2.531	50	50	EFGA	
COc1ccc(COC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	1212634	GOWQIFKVTQCWOF-UHFFFAOYSA-N	334.759	2.920	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1	1427312	CXHDBZSZQKGNKB-MRXNPFEDSA-N	347.349	2.896	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1	1875377378	DFPNDLXKSVLDQL-SNPRPXQTSA-N	326.868	2.786	50	50	EFGA	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	196622	YIFKSGVWRUTYNU-MRXNPFEDSA-N	326.352	2.519	50	50	EFGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2381352	CGLDFBRLHVGLKS-CIAFOILYSA-N	347.374	2.943	50	50	EFGA	
O=C(NNC(=S)NC1CCCC1)c1ccc(-n2cccc2)cc1	610090	MYZHGTCVCBIPFK-UHFFFAOYSA-N	328.441	2.529	50	50	EFGA	
O=C(N/N=C/c1cccc(Br)c1)c1ccc(O)cc1O	438173	MTLCUBNNCWZEIK-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(OC)c1O	15685567	FOQBUKFROSWGJX-NVNXTCNLSA-N	338.363	2.633	50	50	EFGA	
C=CCCCCCCCCC(=O)NNC(=S)NC[C@@H]1CCCO1	6645089	WWNCHKZETFPXNI-HNNXBMFYSA-N	341.521	2.968	50	50	EFGA	
O=C(N/N=C/c1cccc(O)c1O)c1ccc(Br)cc1	1959452	AONKZCRXLXKXQP-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)c2ccc(N(C)C)cc2)ccc1OC	6393516	DWXPPRMSUHPLHL-DEDYPNTBSA-N	341.411	2.924	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2cncc(Br)c2)c1	289432	PGRMWIDUWFBHTP-REZTVBANSA-N	334.173	2.617	50	50	EFGA	
C/C(=N/NC(=O)CNc1ccccc1C)c1ccc([N+](=O)[O-])cc1	12575326	BQSPTKOCATYXNO-UYRXBGFRSA-N	326.356	2.856	50	50	EFGA	
O=C(CBr)CCCCCN1C(=O)c2ccccc2C1=O	59863379	JBPUJKZATDULCP-UHFFFAOYSA-N	338.201	2.807	50	50	EFGA	
Cc1cccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)c1O	8829119	DDGUCBCVEHBVFL-UHFFFAOYSA-N	328.290	2.504	50	50	EFGA	
COc1ccc2cc(/C=C(\C#N)S(=O)(=O)NC3CC3)ccc2c1	188036496	FZEGBLXLWULJKX-RQZCQDPDSA-N	328.393	2.795	50	50	EFGA	
Cc1cccc(OCC(=O)N/N=C/c2ccc(Br)o2)c1	361601	AVJZEABFXJUNSU-LZYBPNLTSA-N	337.173	2.880	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C1CCCC1	1875377375	DFPNDLXKSVLDQL-QEJZJMRPSA-N	326.868	2.786	50	50	EFGA	
CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)[C@@H]1c1sccc1C	433017	MFHNWTPLJYNSEH-AWEZNQCLSA-N	347.465	2.560	50	50	EFGA	
Cc1cccc(C)c1OCC(=O)NN=Cc1ccc([N+](=O)[O-])cc1	16677616	PCSOOCYWRIGYKC-UHFFFAOYSA-N	327.340	2.741	50	50	EFGA	
COc1cc(OC)c(C2C(C#N)=C(C)NC(C)=C2C#N)c(C(=O)O)c1	20432391	HKJBEGGLKOEZIR-UHFFFAOYSA-N	339.351	2.684	50	50	EFGA	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(N(C)C)cc1	138976	JHMUFWFWGWFVAG-UDWIEESQSA-N	335.411	2.561	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1	1875377894	QKRMMEQUJCRLPU-ONGXEEELSA-N	339.773	2.887	50	50	EFGA	
O=C(O)CCSSCCNC(=O)c1c(F)ccc2[nH]ccc12	1875388634	JNEQVDNFXNUUQF-UHFFFAOYSA-N	342.417	2.893	50	50	EFGA	
C[C@@H](Cl)C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F	1875363642	OUIVXZJIMBNBKK-ZJUUUORDSA-N	339.741	2.531	50	50	EFGA	
O=C(NN=C1CCCC1)c1ccccc1I	301531	IWQOPKDLHFRKCX-UHFFFAOYSA-N	328.153	2.951	50	50	EFGA	
CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccnc1	1429572	IHZNTQKSXACDQO-CYBMUJFWSA-N	341.392	2.846	50	50	EFGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@]23[C@H]4C=C[C@@H](C4)[C@]12N=NN3c1ccccc1	254730155	OMGGDHZFRGBBHT-AHNQTFNTSA-N	347.374	2.523	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1	288593	NZNBAGDJQLHGLR-XDHOZWIPSA-N	327.384	2.708	50	50	EFGA	
COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1	5635106	DRMRYMPEZDLWBG-JNJFRLMHSA-N	349.394	2.853	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)C(=O)C1	1875366845	LLACCSQQJISAOR-SNVBAGLBSA-N	348.752	2.504	50	50	EFGA	
O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)[C@@H](F)Cl	2325898559	LHDFGBAIYMZTGS-LLVKDONJSA-N	338.738	2.863	50	50	EFGA	
O=C(CCl)N1CCN(Cc2cnc(Cc3ccccc3)s2)CC1	1875387257	YAXUQSCFTRMAAW-UHFFFAOYSA-N	349.887	2.617	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccncc1	5068014	YSEHYWNTDXEUNB-CQSZACIVSA-N	333.326	2.829	50	50	EFGA	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1cccc(O)c1	5019975	FRNPJLYPDCQPKW-DEDYPNTBSA-N	325.368	2.835	50	50	EFGA	
N#Cc1ccc(/C=N/NC(=O)CS[C@H]2Nc3ccccc3O2)cc1	2325809516	DONGNKHORJXYGR-AEUYPJEVSA-N	338.392	2.530	50	50	EFGA	
Cc1ccccc1C(=O)NNC(=O)c1cccc(Br)c1	95878	KLQBXBKEDALBPS-UHFFFAOYSA-N	333.185	2.832	50	50	EFGA	
CC(C)(C)[Si](C)(C)OCCOCCOCCOCCC(=O)O	214946792	UPRFSWMUGOEFOM-UHFFFAOYSA-N	336.501	2.533	50	50	EFGA	
CCCc1n[nH]c2c1[C@H](c1cccc(OC)c1OC)C(C#N)=C(N)O2	3899519	UBMABMHCGJTCLL-CQSZACIVSA-N	340.383	2.598	50	50	EFGA	
CN1C=CC2=C(C#N)[C@H](N)C(C#N)(C#N)[C@@H](c3ccccc3Cl)[C@H]2C1	244898942	ZEHUQTHLSUQWEG-SZMVWBNQSA-N	349.825	2.694	50	50	EFGA	
Cc1c(C(=O)NCCSSCCC(=O)O)cnn1C(C)(C)C	1875388859	SQXUNAICXJGOCN-UHFFFAOYSA-N	345.490	2.532	50	50	EFGA	
CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccccn3)c2C)cc1	9270319	WUEATKRLDDBRDV-CIAFOILYSA-N	349.394	2.943	50	50	EFGA	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)ccc21	16319918	BEMACGAMNZCLGJ-ZROIWOOFSA-N	334.335	2.849	50	50	EFGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1c(O)ccc2ccccc12	55879	MJVJCMUCKNZSTR-RGVLZGJSSA-N	336.395	2.968	50	50	EFGA	
CCOc1ccc([C@@H]2CC(=O)NC(SCC#N)=C2C#N)cc1OC	9110299	XXGIVZVOAKDAIM-LBPRGKRZSA-N	343.408	2.689	50	50	EFGA	
Cc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	5072940	OOAGZWDMEGIFHV-LLVKDONJSA-N	349.177	2.603	50	50	EFGA	
CCCc1n[nH]c2c1[C@@H](c1ccc(O)c(OCC)c1)C(C#N)=C(N)O2	5686266	AURZXGDYVYLNCJ-HNNXBMFYSA-N	340.383	2.685	50	50	EFGA	
O=C(CCC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccccc1O	3168090	PDFXCIAYAFDRFT-YBFXNURJSA-N	345.786	2.915	50	50	EFGA	
CC1=NN=C(O)[C@@H]1CC(=O)N/N=C/c1cccc(Cl)c1Cl	9109384	QGJLVPYCOGKXNC-JPEBENEDSA-N	327.171	2.796	50	50	EFGA	
O=C(Cc1nnc(O)c2ccccc12)NNc1ccc2ccccc2n1	777467133	VPKNQEYCYIKLID-UHFFFAOYSA-N	345.362	2.569	50	50	EFGA	
CO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1	1054256	ZEKJGXCVUBRMBX-PGSUTNFGSA-N	337.423	2.765	50	50	EFGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc(C)oc1C	381503	COPOKEJUVDZOOF-GIJQJNRQSA-N	332.356	2.686	50	50	EFGA	
CC(C)(C)c1csc(CC2(O)CCN(C(=O)[C@H](F)Cl)CC2)n1	2325898735	XSJJLLXSOYULML-LBPRGKRZSA-N	348.871	2.871	50	50	EFGA	
Cc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1	371041	BVEQXTMFGCNZMZ-VBEHJTROSA-N	327.340	2.821	50	50	EFGA	
CCOc1ccc(NC(=S)NNC(=O)Cc2ccccc2)cc1	5949212	QEGXOQWIFNIDLF-UHFFFAOYSA-N	329.425	2.646	50	50	EFGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2)[C@@H]2CSCC=C12	20598177	JWUYAWQXVCDGMQ-HZPDHXFCSA-N	336.395	2.982	50	50	EFGA	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CO/N=C(/N)c1ccsc1)C2	109186231	UMMKQKNUHOAWNV-YSIIYDHVSA-N	348.472	2.703	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)ccc1O	228979	GMCYEQAQAAPUHD-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2c[nH]c3ccccc23)cc1	4355651	NZXMECMPSVMTGG-CIAFOILYSA-N	334.379	2.819	50	50	EFGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(F)cc1	4079667	GHWXKINQLOFNEG-FSJBWODESA-N	349.365	2.859	50	50	EFGA	
CC[n+]1ccc([C@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1	287867	FVVQHSWKURCMJW-HXUWFJFHSA-N	338.367	2.999	50	50	EFGA	
CCOC(C)(OCC)C(=O)NNC(=O)c1coc2ccc(CC)cc12	287657802	ASZMCGCFGKOGPX-UHFFFAOYSA-N	348.399	2.545	50	50	EFGA	
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(B(O)O)c(Cl)c1	169744133	JMKBLQJGRGMPIY-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
CCn1nccc1CN(C(=O)[C@H](F)Cl)c1ccc(OC)cc1	2325898614	OBGBLAKHGSQAEL-AWEZNQCLSA-N	325.771	2.979	50	50	EFGA	
COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1OC	16994687	UXAFJMZOQXYMJY-CHWSQXEVSA-N	332.381	2.636	50	50	EFGA	
C=CCOc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	4372581	ULDVEUHSYQDOMV-LDADJPATSA-N	325.324	2.924	50	50	EFGA	
CC1=C(C#N)C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C#N)=C(C)N1	20432385	SPXACDZLHFJEDA-UHFFFAOYSA-N	325.284	2.785	50	50	EFGA	
CCCC[C@@H](c1ccccc1)c1nc(-c2ccc(B(O)O)cc2)no1	606241692	YYRWOXGGRGJEOP-KRWDZBQOSA-N	336.200	2.739	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1O	59085	RKLDIRQWJSIBSQ-RGVLZGJSSA-N	342.395	2.937	50	50	EFGA	
COc1cccc(/C=N/NC(=O)Cc2cc3ccccc3[nH]2)c1OC	23549904	FIPIRMUIMNGZMV-UDWIEESQSA-N	337.379	2.878	50	50	EFGA	
CC1(C)O[C@H]2[C@H](N)C[C@H](OCCO[Si](C)(C)C(C)(C)C)[C@H]2O1	214483929	UGMXRTTVIZNRAK-ZOBORPQBSA-N	331.529	2.645	50	50	EFGA	
CCCn1c(=O)c(C(=O)N/N=C/c2ccccc2)c(O)c2ccccc21	299738162	CVTAPEWEIXIMHB-FYJGNVAPSA-N	349.390	2.881	50	50	EFGA	
CCc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1	186591	VMYHBCGCWKXSIT-VCHYOVAHSA-N	328.441	2.898	50	50	EFGA	
Cc1ccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)c(C)c1	3136539	QSILMZDLAGMISH-DJKKODMXSA-N	328.368	2.552	50	50	EFGA	
NC(=O)N/N=C/c1ccc(OC(=O)/C=C/c2ccccc2Cl)cc1	1446618	IATUPEDZMCNCTJ-OZNFINNBSA-N	343.770	2.961	50	50	EFGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccccc1	4230231	MSQKIXFNFSMXQB-LPYMAVHISA-N	331.375	2.720	50	50	EFGA	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)ccc21	16384082	HREDSMYYQDLSDY-ZSOIEALJSA-N	334.335	2.849	50	50	EFGA	
CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1	242255	VXRLETULDNPZPI-QGHHPUGFSA-N	337.379	2.706	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@H]2C1	4102689	FPTLOLQFVKCXGF-OALUTQOASA-N	343.434	2.820	50	50	EFGA	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1	230928	CYDBCXLGNPXRJD-RQZCQDPDSA-N	334.173	2.617	50	50	EFGA	
COc1cc(C(=O)N/N=C/c2ccc(C)cc2)cc(OC)c1OC	381220	MPFYNDGWCNVZTH-YBFXNURJSA-N	328.368	2.785	50	50	EFGA	
C=CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	4372677	VMBLRJHGCKTXRQ-LDADJPATSA-N	325.324	2.924	50	50	EFGA	
COC(=O)[C@@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl	1393255	BBJDKANFEGVUPF-KCJUWKMLSA-N	336.602	2.988	50	50	EFGA	
COCc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC	372257	NZPHHEUIGKKSGD-QGZVFWFLSA-N	340.379	2.656	50	50	EFGA	
CN1CCC(=NNC(=O)CSCc2ccccc2Cl)CC1	55433434	CFNGVKXDZUHZNE-UHFFFAOYSA-N	325.865	2.771	50	50	EFGA	
C[C@](O)(C(=O)N/N=C/c1c(O)ccc2ccccc12)c1ccccc1	291308	SZKUHCTUAVXXPG-TTYLXTBDSA-N	334.375	2.903	50	50	EFGA	
CN(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1	1742022	MOXGQBIHYJFKFL-WOJGMQOQSA-N	339.424	2.968	50	50	EFGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)c1	536121	UIHPZBZMBQRCPB-VPNURPJOSA-N	336.395	2.831	50	50	EFGA	
C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1cccc([N+](=O)[O-])c1	5125864	XQZHZPIUGTTZAS-LICLKQGHSA-N	339.311	2.732	50	50	EFGA	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cccc(Cl)c2)c1	43921	KWZSIQPCBKVSLQ-UHFFFAOYSA-N	332.787	2.797	50	50	EFGA	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1	435536	VKBIVGDFLPRURN-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1	910057020	QDZJIEFOKJLXKY-ZIAGYGMSSA-N	340.540	2.668	50	50	EFGA	
COc1ccc(OC)c(NC(=O)NNC(=O)c2csc(C)c2C)c1	610838	ALOTTWUYEBEHOV-UHFFFAOYSA-N	349.412	2.849	50	50	EFGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cnccn1	45362	KGSYWWKEFFKRRJ-WSDLNYQXSA-N	332.363	2.820	50	50	EFGA	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1	4287383	DEBLEHUVGQSQAN-FYJGNVAPSA-N	347.374	2.937	50	50	EFGA	
Cc1nc(C(=O)N2CCC3(CC2)C[C@@H]3Br)ccc1C#N	1775999421	RFGCJESPXHZUBC-ZDUSSCGKSA-N	334.217	2.651	50	50	EFGA	
COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cccnc1	6571409	SXHHBASTAMJULZ-KPKJPENVSA-N	327.365	2.784	50	50	EFGA	
CN(C(=O)CCl)C1CCN(c2ccc(C(F)(F)F)nc2)CC1	1875384501	QYRFTDNOYQZIHM-UHFFFAOYSA-N	335.757	2.766	50	50	EFGA	
CC(C)(CC(=O)N1CCSSCC1)NC(=O)OC(C)(C)C	888092938	YEZXPZLFXJAUCS-UHFFFAOYSA-N	334.507	2.903	50	50	EFGA	
COc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1OC(C)=O	1959295	OHGHUCDLEVTRFQ-WOJGMQOQSA-N	327.340	2.776	50	50	EFGA	
Cc1ccc2cc(/C=N/NC(=O)c3cnccn3)c(Cl)nc2c1	5795866	RJGNNEFVKLAQFM-DNTJNYDQSA-N	325.759	2.751	50	50	EFGA	
COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCC(N)=O	12364125	AFUHQZGNAMARMF-ZSOIEALJSA-N	326.327	2.763	50	50	EFGA	
O=[P@@](O)(c1ccccc1)c1ccc(I)cc1	393262	OSYFQAPPCKSFKE-UHFFFAOYSA-N	344.088	2.512	50	50	EFGA	
COc1cccc([C@H](Br)[C@@H](Br)C(=O)O)c1	1602064	WBRLBWOFKFWFIM-DTWKUNHWSA-N	337.995	2.979	50	50	EFGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1O	4366347	KDXTXUKYCIRJIQ-NTOSSWPYSA-N	334.759	2.669	50	50	EFGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(F)cc2)cc1Cl	3072785	MIXLSGZCYDTBSA-DJKKODMXSA-N	333.750	2.876	50	50	EFGA	
COc1cc(OC)c(C2C(C#N)=C(C)NC(C)=C2C#N)cc1OC	406047	JSXDXVLHGXBJCQ-UHFFFAOYSA-N	325.368	2.994	50	50	EFGA	
COC(=O)C1=C(N)OC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F	355412	MUAJXELEDUKNIS-LBPRGKRZSA-N	338.285	2.960	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1	43593	NKBDKRKVRGVADB-MRXNPFEDSA-N	326.352	2.519	50	50	EFGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)cc1	4347338	QKRRPGZGENSVDS-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1	66578	IJZKYAZGUYBWBY-XDHOZWIPSA-N	328.368	2.866	50	50	EFGA	
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/C=C/c1ccco1	5662286	CRKYAHQHAUQTHJ-COLHSRMGSA-N	329.312	2.771	50	50	EFGA	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1	2568829	ARHBXKYRWJMYJB-FYJGNVAPSA-N	347.374	2.937	50	50	EFGA	
C[C@H](Cl)C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1	1875375608	FVYCCTWPBFLGOR-AWEZNQCLSA-N	344.842	2.978	50	50	EFGA	
COc1ccccc1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1	8568410	LWARNDPCEZNVSE-LICLKQGHSA-N	326.381	2.911	50	50	EFGA	
O=C1CC(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)=NN1	100731187	UQNCHGANLMKDJP-CIAFOILYSA-N	344.374	2.709	50	50	EFGA	
COc1ccccc1NC(=S)NNC(=O)CCc1ccccc1	6398773	CNVXICRELVFHEX-UHFFFAOYSA-N	329.425	2.646	50	50	EFGA	
CCCc1[nH]nc2c1[C@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	5125949	DCTUHPSFRIADES-OAHLLOKOSA-N	340.383	2.598	50	50	EFGA	
CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1cccc(C)c1	43334146	DURPBDSSWWSNPL-HNYPPXODSA-N	335.407	2.930	50	50	EFGA	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccccc2C)c1	4303102	RPEJMJVDLLLOON-DEDYPNTBSA-N	337.379	2.649	50	50	EFGA	
N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)c1nc2ccccc2c(=O)[nH]1	3899767	PYUQKLVTBIRXKR-YRNVUSSQSA-N	334.291	2.601	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)o1	4019966	ZVGHHIRAFOESHO-GFCCVEGCSA-N	335.157	2.857	50	50	EFGA	
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(B(O)O)c1	169744239	LGHQYAUSSYHBTK-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)CCl)cc1	20466406	NISPFLIZLROMEG-ZDUSSCGKSA-N	344.864	2.817	50	50	EFGA	
Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	93954	RSAXYUIVFNGBMC-ANKPHQHTSA-N	340.379	2.950	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)COc1ccccc1OC	510877	JNZJGAREHPRGIW-XDHOZWIPSA-N	328.368	2.623	50	50	EFGA	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cc(O)cc(O)c1	288649	GIFNSXMCFMUSQR-UBKPWBPPSA-N	341.150	2.874	50	50	EFGA	
COc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	299034	DGLNVIVOXPWADG-UHFFFAOYSA-N	349.184	2.533	50	50	EFGA	
COc1ccc(C(=O)NNC(=O)Nc2ccc(SC)cc2)cc1	2167504	AOSXMFFHFDSDFE-UHFFFAOYSA-N	331.397	2.884	50	50	EFGA	
CNC(=O)/C(C#N)=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1	5091044	XOANYVSTNLAJQU-SXGWCWSVSA-N	336.347	2.617	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1	1875377605	IFFUXVORZXMZHS-XVKPBYJWSA-N	332.713	2.656	50	50	EFGA	
Cc1ccc(N(C)S(=O)(=O)c2c(CCl)nn(C)c2Cl)cc1	1775998878	LNWHXWWKJBCQGK-UHFFFAOYSA-N	348.255	2.946	50	50	EFGA	
CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1	1430911	KPBZYAASHYKRTF-SNVBAGLBSA-N	345.815	2.652	50	50	EFGA	
O=C(CSc1ncccn1)N/N=C/c1ccccc1C(F)(F)F	204928	CXMGCQNIRXKLGP-DNTJNYDQSA-N	340.330	2.738	50	50	EFGA	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)NN	254546578	VVTXMFGLOIFEKN-FYKNWRSHSA-N	332.488	2.916	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCCC3)cc1	179309	JAYXHENXMLLFTG-DEDYPNTBSA-N	339.443	2.899	50	50	EFGA	
CCCN1CCN([C@@H](C)CCCN(C(=O)[C@@H](C)Cl)C2CC2)CC1	1875364212	ITBBPHQEHVGSPG-JKSUJKDBSA-N	343.943	2.801	50	50	EFGA	
CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)CCl)C(F)(F)F	1333534961	KKIBNYIONCUAAZ-LBPRGKRZSA-N	344.761	2.673	50	50	EFGA	
CCCc1n[nH]c2c1[C@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2	4740108	BDGSLSCWWPISTB-OAHLLOKOSA-N	340.383	2.598	50	50	EFGA	
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N	253499992	SWAJIWWXRRYRDI-RBZZARIASA-N	329.440	2.744	50	50	EFGA	biogenic
COc1ccc(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1	504516	CGUATELQBXYOLQ-UHFFFAOYSA-N	349.774	2.580	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc2c(c1Cl)OCO2	408244	UHVLHXJBIDQGRO-CYBMUJFWSA-N	344.754	2.883	50	50	EFGA	
CN(C)c1ccc(C(=O)NNC(=S)Nc2ccc(F)cc2)cc1	621464	KLMGUQGJVDEPQU-UHFFFAOYSA-N	332.404	2.523	50	50	EFGA	
OB(O)c1cc(OCc2ccccc2)c(C(F)(F)F)cc1Cl	1772575816	GHLBGYCIHJSKON-UHFFFAOYSA-N	330.498	2.618	50	50	EFGA	
CCCCNC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2	13470865	GEZVNLZOJRJPEQ-SNVBAGLBSA-N	325.503	2.782	50	50	EFGA	
COc1cc(NC(C)=O)ccc1NC(=O)CCCBr	2141580	HDXMBEMPKMLVTC-UHFFFAOYSA-N	329.194	2.767	50	50	EFGA	
C[C@@H](NC(=S)NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	2851083	RCXIYXMIFSXLGD-CYBMUJFWSA-N	342.468	2.623	50	50	EFGA	
CCn1c(SCC(=O)N/N=C/c2cccnc2)nc2ccccc21	180133	IXSCNBUFOHNBPY-YBFXNURJSA-N	339.424	2.694	50	50	EFGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)[nH]n1)c1ccncc1	18123033	UCSKHALQODYZFK-WOJGMQOQSA-N	325.397	2.996	50	50	EFGA	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1	4282297	OHBQTYOAUAQALL-DEDYPNTBSA-N	337.379	2.649	50	50	EFGA	
N#Cc1cccc2c(C(=O)NCCSSCCC(=O)O)c[nH]c12	1875388627	JDZCHHSSWGIYDN-UHFFFAOYSA-N	349.437	2.625	50	50	EFGA	
CCOC(=O)/C(C#N)=C/c1cccc(I)c1	298120	RIFHKWMWGGSZPB-UXBLZVDNSA-N	327.121	2.761	50	50	EFGA	
C/C(=N\NC(=O)CN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1	5249866	WSXCPWQSSLDJIM-QGOAFFKASA-N	326.356	2.571	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@@H]2C1	1022897	PWWWVQAOIOLFPC-AEFFLSMTSA-N	347.397	2.571	50	50	EFGA	
O=C(CNC(=O)c1ccccc1)N/N=C/c1cccc2ccccc12	1754368	NVUBTYIVGCBVDO-LPYMAVHISA-N	331.375	2.720	50	50	EFGA	
Cc1cnn([C@H](C)c2nc(C3(C)CC(Br)C3)no2)c1	1875320825	MGZNMEREMKBDCF-TTXORMCVSA-N	325.210	2.999	50	50	EFGA	
Cn1ccnc1-c1noc([C@@]2(c3ccccc3)C[C@H]2Br)n1	1775993307	PSLRVCZGDGECNW-IAQYHMDHSA-N	345.200	2.923	50	50	EFGA	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1O	2388527	MQILMFSGCGNBAW-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
O=C(N/N=C/c1ccccc1C(=O)O)c1cc(-c2ccccc2)[nH]n1	2454014	RZRCJJMGFWJJQK-YBFXNURJSA-N	334.335	2.539	50	50	EFGA	
COc1cc(C=C(C#N)C#N)cc(I)c1OC	136124	CJEMPMDLNUVXKR-UHFFFAOYSA-N	340.120	2.739	50	50	EFGA	
CCCc1[nH]nc2c1[C@@H](c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2	5125948	DCTUHPSFRIADES-HNNXBMFYSA-N	340.383	2.598	50	50	EFGA	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccccc2Cl)c1	43920	CVHUECAQVAMENG-UHFFFAOYSA-N	332.787	2.797	50	50	EFGA	
CCOc1ccc(CC(=O)N/N=C(\C)c2cccnc2)cc1OCC	15933973	QXGMPXNHOULYQT-KGENOOAVSA-N	341.411	2.962	50	50	EFGA	
CCOC(=O)c1sc(NC(=O)[C@H]2CCOC2)c(SC#N)c1C	888099821	SLTMUSVWBOTZBR-VIFPVBQESA-N	340.426	2.781	50	50	EFGA	
CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3cccnc3)c2C)cc1	435397	KWZQLVFJSLDQHT-CIAFOILYSA-N	349.394	2.943	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2O)cc1[N+](=O)[O-]	459505	AXBCBXNQYJVULU-CAOOACKPSA-N	349.730	2.726	50	50	EFGA	
COC(=O)[C@H]1C[C@@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl	1393254	BBJDKANFEGVUPF-LDYMZIIASA-N	336.602	2.988	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccccc1F	1427324	GPDLIARMQUAXLJ-MRXNPFEDSA-N	347.349	2.896	50	50	EFGA	
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc1	4593450	JSQUMGQCQQTPJS-INIZCTEOSA-N	336.347	2.731	50	50	EFGA	
O=C(N/N=C(\c1ccccc1)c1cccnc1)c1cc(O)ccc1O	13322201	MTUSPVYOJJJASB-DYTRJAOYSA-N	333.347	2.675	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1	1875363752	XWBNPJLZSYQMSQ-CYBMUJFWSA-N	330.815	2.752	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc(Cl)c1C	3131973	PNRDLSOWSFHJFX-VXLYETTFSA-N	345.786	2.746	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1	9240267	QLNUEIZHRBTKNO-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
OB(O)c1ccc(F)c(N(Cc2ccccc2)Cc2ccccc2)c1	230557787	XSYMCAKSVAPETC-UHFFFAOYSA-N	335.187	2.712	50	50	EFGA	
O=C(Nc1ccc2c(c1)N(CC(F)F)C(=O)CS2)[C@H](F)Cl	2325898560	LHDFGBAIYMZTGS-NSHDSACASA-N	338.738	2.863	50	50	EFGA	
CC(C)(C)C(=O)NNC(=O)COc1ccccc1-c1ccccc1	2882366	IVVUCXDWIYZIEI-UHFFFAOYSA-N	326.396	2.926	50	50	EFGA	
COc1cc(/C=N/NC(=O)CCCNc2ccccc2)ccc1O	2996062	LNCNNCUFVQVTPE-DEDYPNTBSA-N	327.384	2.743	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(F)c3)[C@H]2C1	4453537	IGXJECVPWRTSLN-ROUUACIJSA-N	347.397	2.571	50	50	EFGA	
C[C@H]1CN(C(=O)c2ccc(-c3noc(CCl)n3)cc2)C[C@@H](C)O1	34925181	KGBJFFJRVIQYJU-PHIMTYICSA-N	335.791	2.725	50	50	EFGA	
CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@H](C)Cl)CC1	1875380179	HPMCRMWKDJQXIW-KBPBESRZSA-N	330.856	2.863	50	50	EFGA	
COC(=O)c1ccccc1NC=C(C#N)C(=O)NCCc1ccccc1	2049463227	YBXMPOICVNFNIT-UHFFFAOYSA-N	349.390	2.651	50	50	EFGA	
NNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2ccccc12	9293	VENCPJAAXKBIJD-UHFFFAOYSA-N	335.194	2.995	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)CNc2cccc(C)c2)c(O)c1	3136480	YYNRWKKFBMPLLZ-RGVLZGJSSA-N	327.384	2.662	50	50	EFGA	
O=C(N/N=C\c1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1	32666337	XZZHSAYTAJWXIU-SOFYXZRVSA-N	349.144	2.516	50	50	EFGA	
CON(C)C(=O)c1ccc(NC(=O)N2CCSSCC2)cc1	952874664	DQJLQNRCMOYZRF-UHFFFAOYSA-N	341.458	2.549	50	50	EFGA	
CSc1nc(N)c2c(n1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1	1430912	KPBZYAASHYKRTF-JTQLQIEISA-N	345.815	2.652	50	50	EFGA	
CC(C)(C)OC(=O)N1CCOc2cc(CNC(=O)CCl)ccc21	1875368114	RAGLVBPNQNOJGN-UHFFFAOYSA-N	340.807	2.676	50	50	EFGA	
OB(O)c1ccc(CN(Cc2ccccc2)Cc2ccccc2)cc1	202562210	IYOBYOQMNHOEJU-UHFFFAOYSA-N	331.224	2.569	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)COc2ccc(CC)cc2)ccc1O	486468	ODHJZQZMLCDCBZ-UDWIEESQSA-N	342.395	2.882	50	50	EFGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/C=C/c1ccccc1	4372542	SPTUOSYHMDJWSR-ZTKKEOLVSA-N	325.324	2.789	50	50	EFGA	
COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1O	585237	PMEMQXVDTNRZRR-GIJQJNRQSA-N	334.759	2.583	50	50	EFGA	
O=C(N/N=C/C=C/c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	1684963	HIRBYBFHMTYBOX-AWKIKHLOSA-N	346.390	2.617	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)[nH]n2)cc1	13571927	IERILKICDONPGB-XDHOZWIPSA-N	337.383	2.578	50	50	EFGA	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc([N+](=O)[O-])c1)OCO3	470404	ZKDONWIIAAEZBH-INIZCTEOSA-N	337.291	2.542	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@@H]2C1	5607297	PWWWVQAOIOLFPC-SJLPKXTDSA-N	347.397	2.571	50	50	EFGA	
CCOc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1	5718575	PUWCIFTYCANXPZ-XDHOZWIPSA-N	328.416	2.898	50	50	EFGA	
CCN(CC)c1nc(=O)c2cc(NC(=O)[C@H](F)Cl)ccc2s1	2325901724	VQCOHZFOYTVABI-NSHDSACASA-N	343.811	2.976	50	50	EFGA	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2	444674	KYDIYBCYZYMBJP-GOSISDBHSA-N	343.390	2.853	50	50	EFGA	
COc1ccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)cc1	615346	XIFZZDSGCIPBLO-UHFFFAOYSA-N	349.774	2.580	50	50	EFGA	
O=C(CCCCSSc1ccccn1)ON1C(=O)CCC1=O	97957585	ABQGFYSYSCHJNB-UHFFFAOYSA-N	340.426	2.599	50	50	EFGA	
O=C(COc1ccccc1Br)N/N=C/c1ccccc1	260190	NZBCJWHXODDQLK-LICLKQGHSA-N	333.185	2.978	50	50	EFGA	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC	96411	DYUCJWFKQSMNQB-KRWDZBQOSA-N	340.379	2.909	50	50	EFGA	
Cc1nc(C(=O)N2CCC3(CC2)C[C@H]3Br)ccc1C#N	1775999420	RFGCJESPXHZUBC-CYBMUJFWSA-N	334.217	2.651	50	50	EFGA	
N#C/C(=C\c1cccc(Cl)c1Cl)c1nn(CCO)c(N)c1C#N	4474911	CBKZKHFZSJPGML-UXBLZVDNSA-N	348.193	2.700	50	50	EFGA	
CCOC(=O)C1=C(C)NC(OCC)=C(C=O)[C@@H]1c1cccc(C)c1	4025475	INMDKDGDEZPXRJ-KRWDZBQOSA-N	329.396	2.966	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1	1875377893	QKRMMEQUJCRLPU-MWLCHTKSSA-N	339.773	2.887	50	50	EFGA	
Cc1c(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)c2ccccc2n1C	291200	TUSBBMMXOROXIT-QVQQHXNLSA-N	349.390	2.777	50	50	EFGA	
CC(C)c1cc(C(=O)NNC(=O)CC(C)(C)CC(=O)O)cs1	6633724	KYIVCGUKDRCMTM-UHFFFAOYSA-N	326.418	2.524	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)CCc2c(C)n[nH]c2C)cc1OC	55634	ZYTCTFLTUOIOIK-YBFXNURJSA-N	344.415	2.517	50	50	EFGA	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1	15799226	ZVOQGEVUDAKJGF-QGOAFFKASA-N	334.375	2.739	50	50	EFGA	
C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccnn1C	374464	ZDJULLXLSXXFBP-YFEDRJBBSA-N	341.198	2.645	50	50	EFGA	
CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2	5632492	LMVLTKOYCJFJGR-GFCCVEGCSA-N	339.355	2.834	50	50	EFGA	
O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)s2)n[nH]1	15854676	LJJJMGMJZROIGK-CAOOACKPSA-N	331.788	2.951	50	50	EFGA	
CC[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	317730845	FVTKGSGBTUJEFT-VXGBXAGGSA-N	349.449	2.592	50	50	EFGA	
O=C(Cc1ccccc1)N/N=C/c1cc(O)ccc1Br	298614	OCSGMKDBTNPFAC-LICLKQGHSA-N	333.185	2.848	50	50	EFGA	
COc1ccc(/C=N\NC(=O)c2ccc(N(C)C)cc2)cc1OC	33423723	UPVLXAHNFVSTMS-UNOMPAQXSA-N	327.384	2.534	50	50	EFGA	
COC(=O)CN(CCc1ccc(Cl)cc1Cl)C(=O)CCl	1875363749	XLWHAUPXRPXSIE-UHFFFAOYSA-N	338.618	2.776	50	50	EFGA	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3o2)c1	133160	IORBSUTUVGBYIQ-UHFFFAOYSA-N	338.363	2.890	50	50	EFGA	
COc1cc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)ccc1OC(C)=O	100050587	GHDNMAVXCWMYNK-IGUNNGOCSA-N	330.384	2.507	50	50	EFGA	
Cc1cccc(C(=O)NNC(=O)c2cccc(Br)c2)c1	143020	MJDYVFSTRWMCML-UHFFFAOYSA-N	333.185	2.832	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1cccs1	1426904	SVSPVLOGBQCVBT-CQSZACIVSA-N	335.388	2.818	50	50	EFGA	
O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(C(F)(F)F)cc1	2749751	NQRCWQORWNXEQX-QGMBQPNBSA-N	341.314	2.856	50	50	EFGA	
C[C@@H](Cl)C(=O)Nc1ccc2ncn(-c3ccccc3)c(=O)c2c1	1875380295	KWKKQMLWIZCANN-LLVKDONJSA-N	327.771	2.952	50	50	EFGA	
COC1(C(=O)NCCSSCCC(=O)O)CCC(C)(C)CC1	1875388525	FQRRMYPMPHOCHQ-UHFFFAOYSA-N	349.518	2.944	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1	1875377891	QKRMMEQUJCRLPU-GXSJLCMTSA-N	339.773	2.887	50	50	EFGA	
COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1ccc(C)cc1	2506370	VSUOFDDBVGEBAZ-YBFXNURJSA-N	326.352	2.693	50	50	EFGA	
CCOc1cccc(C(=O)N/N=C/c2coc3ccccc3c2=O)c1	15934208	FOMAKIWUXGJIKO-RGVLZGJSSA-N	336.347	2.956	50	50	EFGA	
CC1=C(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCCO1	159103878	QPPILTQKIKMYSQ-SNVBAGLBSA-N	334.441	2.718	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)CSc2ccccn2)c1O	195876	RMHGWNOTRCLHBH-YBFXNURJSA-N	327.409	2.758	50	50	EFGA	
CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1	2888855	ARVFFEQTQUNVJE-UHFFFAOYSA-N	345.424	2.952	50	50	EFGA	
N#CC(C#N)=C1C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21	448151	RLTNZTCREPFJBE-UHFFFAOYSA-N	329.315	2.763	50	50	EFGA	
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@@H](C)Cl	1875363679	ROAIPSQPFYSWSH-QWHCGFSZSA-N	337.851	2.747	50	50	EFGA	
COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)cc1OC	566317	UADBRDGSTLBXAS-RGVLZGJSSA-N	342.395	2.850	50	50	EFGA	
COc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1	3072811	YZTDHTVIIPSLCP-VXLYETTFSA-N	345.786	2.746	50	50	EFGA	
Cn1c(SCC(=O)N/N=C/c2ccc(F)cc2)nc2ccccc21	55585	MBEOLDWSUFOFGX-VXLYETTFSA-N	342.399	2.955	50	50	EFGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	4372900	OTFMSCZHNOVLPA-UDWIEESQSA-N	342.395	2.882	50	50	EFGA	
CC(=O)O[C@@H]1C=CO[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)=O	169794846	HSYXDFIWVSUKFT-RBSFLKMASA-N	344.480	2.784	50	50	EFGA	
O=C(N/N=C/c1ccccc1O)C(O)(c1ccccc1)c1ccccc1	115028	GOCSMIDSQQKMKO-PXLXIMEGSA-N	346.386	2.778	50	50	EFGA	
COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1O	566535	ZMLOZVAGVJZPCL-GIJQJNRQSA-N	334.759	2.583	50	50	EFGA	
Cc1ccc(CNC(=O)c2cccc(CNC(=O)CCl)c2)cc1	1319674046	BKPVRAASQYQEJR-UHFFFAOYSA-N	330.815	2.780	50	50	EFGA	
C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1cccc([N+](=O)[O-])c1	12343181	WBACIZGBAUDFLU-LICLKQGHSA-N	329.360	2.769	50	50	EFGA	
C[C@@H]1[C@@H](NC(=S)NNC(=O)c2cccnc2Cl)CCC[C@H]1C	248533082	SBNSQAFZYJDLMH-SCVCMEIPSA-N	340.880	2.669	50	50	EFGA	
CCCN1CCN([C@H](C)CCCN(C(=O)[C@H](C)Cl)C2CC2)CC1	1875364208	ITBBPHQEHVGSPG-CVEARBPZSA-N	343.943	2.801	50	50	EFGA	
O=C(Nc1ccc(Br)cc1-c1nc[nH]n1)[C@H](F)Cl	2325898449	CYYSXRAEZITNCW-QMMMGPOBSA-N	333.548	2.707	50	50	EFGA	
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1	528784	PNWCATUMEYYPAP-UHFFFAOYSA-N	331.416	2.622	50	50	EFGA	
O=C(NN=C1CCCCC1)C(=O)Nc1ccc(Br)cc1	4699461	FCKKRFABIBOXQB-UHFFFAOYSA-N	338.205	2.824	50	50	EFGA	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1	4722930	ZXLVMUACEVMPTR-QINSGFPZSA-N	337.379	2.970	50	50	EFGA	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(Br)c1	252711	KOPTUNWJDBSRBP-CAOOACKPSA-N	347.168	2.942	50	50	EFGA	
O=C(Cn1nc2ccccc2n1)N/N=C/c1ccc(Cl)cc1Cl	434124	ANIFZSNWFHGQNP-QGMBQPNBSA-N	348.193	2.888	50	50	EFGA	
N#C/C(=C/c1cc(Br)cs1)C(=O)NC[C@@H]1CCCO1	13124936	BDAPDBDCDFZJJM-NJHLSQGMSA-N	341.230	2.713	50	50	EFGA	
CCOc1ccccc1NC(=O)NNC(=O)CCc1ccccc1	17067010	WYPASOCWHMLSEM-UHFFFAOYSA-N	327.384	2.871	50	50	EFGA	
COc1ccc2oc(=O)c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2c1	2846123	UVDVWEUFXZEEKT-UHFFFAOYSA-N	341.275	2.929	50	50	EFGA	
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc(Cl)cc1	13894512	GITAPHSJTJRIOP-WOJGMQOQSA-N	327.775	2.625	50	50	EFGA	
OB(O)c1cccc(CCOc2ccc(Cl)c3ccccc23)c1	170161318	GWHYATBGYANRCV-UHFFFAOYSA-N	326.588	2.795	50	50	EFGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C[C@H]2[C@]23[C@H]4C=C[C@@H](C4)[C@@]12N=NN3c1ccccc1	254730158	OMGGDHZFRGBBHT-VXWCNMNNSA-N	347.374	2.523	50	50	EFGA	
COc1ccccc1NC(=O)CCC(=O)N/N=C/c1ccccc1	5662168	DZLSLQHPPTWPSY-CPNJWEJPSA-N	325.368	2.564	50	50	EFGA	
O=C(N/N=C/c1ccncc1)c1cc(-c2ccccc2Cl)n[nH]1	2370848	LODSTXWOJZKHHG-VXLYETTFSA-N	325.759	2.889	50	50	EFGA	
CN1[C@H]2C=C3C(C#N)=C(N)C(C#N)(C#N)[C@H](c4ccsc4)[C@H]3[C@H]1CC2	229955439	FJJCTRCHQLJSEN-BASLNEPJSA-N	347.447	2.634	50	50	EFGA	
CCOC(=O)C1=C(C)NC(OCC)=C(C=O)[C@H]1c1cccc(C)c1	4025476	INMDKDGDEZPXRJ-QGZVFWFLSA-N	329.396	2.966	50	50	EFGA	
Cc1scc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C	372530	OTEWTNKBEKXLAE-FZSIALSZSA-N	347.352	2.766	50	50	EFGA	
CCn1nccc1CN(C(=O)[C@@H](F)Cl)c1ccc(OC)cc1	2325898615	OBGBLAKHGSQAEL-CQSZACIVSA-N	325.771	2.979	50	50	EFGA	
COc1ccc(C(=O)N[C@@H](O)C(Cl)(Cl)[C@H](C)Cl)cc1	3130007	OXPMRRJSHGGVKA-CPCISQLKSA-N	326.607	2.545	50	50	EFGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCCS(C)(=O)=O)C1	328596912	BLVBGALVLSXGOR-CQSZACIVSA-N	335.586	2.907	50	50	EFGA	
CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	36047255	MDMMBRFXLBZKSU-CLXYIWAZSA-N	342.355	2.641	50	50	EFGA	
COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OC	566464	BWMKMUYCMJAKQQ-VXLYETTFSA-N	348.786	2.886	50	50	EFGA	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC	96415	DYUCJWFKQSMNQB-QGZVFWFLSA-N	340.379	2.909	50	50	EFGA	
Cn1ccc2cc(C(=O)NCCSSCCC(=O)O)ccc21	1875388683	LWJDQEXVRTUJIO-UHFFFAOYSA-N	338.454	2.764	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	2566424	UXMOKPASDLQGFT-YBFXNURJSA-N	345.786	2.828	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CC(c2ncc(OCc3ccccc3)cn2)C1	1875367982	GDSHFBCLBDWACH-GFCCVEGCSA-N	331.803	2.609	50	50	EFGA	
C/C(=N/NC(=O)COc1ccc(C)cc1)c1cccc([N+](=O)[O-])c1	16663336	HRNIMRRFYBEUDC-AQTBWJFISA-N	327.340	2.822	50	50	EFGA	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccccc2)c1	44833	QDCAVHFWSIQHJX-UHFFFAOYSA-N	326.396	2.958	50	50	EFGA	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1cc(Cl)ccc1O	441874	NWRUFWAVSHDUPA-UHFFFAOYSA-N	339.178	2.703	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(Cl)c1O	469956	JZOXQRIZRFISLH-ZDUSSCGKSA-N	346.770	2.869	50	50	EFGA	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@H]1c1cccc2ccccc12	4038108	DCECXXVEKNNRNY-KRWDZBQOSA-N	346.342	2.503	50	50	EFGA	biogenic,in-vitro
Cc1cccc(C)c1OCC(=O)NN=Cc1ccc2c(c1)OCO2	8666938	FRMIMVWNRBWKBH-UHFFFAOYSA-N	326.352	2.561	50	50	EFGA	
COc1cccc(/C=N/NC(=O)COc2cccc(C)c2C)c1O	289060	YOAIEFLQEBIQGT-VXLYETTFSA-N	328.368	2.547	50	50	EFGA	
CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C(N)O2	5095383	LIBORKCFNIZDRJ-LBPRGKRZSA-N	339.355	2.834	50	50	EFGA	
COc1cccc([C@@H](Br)[C@@H](Br)C(=O)O)c1	1602065	WBRLBWOFKFWFIM-RKDXNWHRSA-N	337.995	2.979	50	50	EFGA	
CCn1ncc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C	19840783	VJAJPRLYWXWDJL-PBHICJAKSA-N	332.411	2.805	50	50	EFGA	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1	17071198	SUZANBUJOIFNPF-GJZGRUSLSA-N	340.339	2.551	50	50	EFGA	
Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc(Cl)c2)c1	4209573	DFGITQNVMLJUDM-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1Cl	280681	RTIWUDAGIWKBGU-REZTVBANSA-N	347.714	2.741	50	50	EFGA	
O=C(N/N=C/c1cccc(O)c1O)c1cccc(Br)c1	1959458	YFCUVXWXMDRMCE-LZYBPNLTSA-N	335.157	2.624	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(OC)c1OC	298748	RVGYRRXONIWILS-VXLYETTFSA-N	332.331	2.615	50	50	EFGA	
Cc1cccc(C(=O)NCC(=O)N/N=C/c2ccccc2Cl)c1	4210394	SOUKQVPUEDNGOG-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
COc1ccccc1C(=O)N/N=C1\C(=O)Nc2c1ccc(Cl)c2C	6556442	AQRTZBFMKHSKFP-UHFFFAOYSA-N	343.770	2.743	50	50	EFGA	
N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@@H](C#N)[C@@H]2CCCC=C12	482926	FZNFUVUESUJZPJ-HHXXYDBFSA-N	345.362	2.972	50	50	EFGA	
O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Cl)cc2)n[nH]1	381587	KAGGOERFYFOAQO-VXLYETTFSA-N	325.759	2.889	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@H]2C1	33694507	PWWWVQAOIOLFPC-WMZOPIPTSA-N	347.397	2.571	50	50	EFGA	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)c1	186360	QGZKGYQMGMBVTG-VCHYOVAHSA-N	340.408	2.814	50	50	EFGA	
CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1	2485578	VXRLETULDNPZPI-BMLIUANNSA-N	337.379	2.706	50	50	EFGA	
CN1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2ccccc21	6578684	SIYXGOPYDVGENL-UZYVYHOESA-N	345.358	2.656	50	50	EFGA	
O=C(N/N=C/c1cccnc1)c1cccc(COCC(F)(F)F)c1	2750973	VFQOHANADGOVBO-ZVBGSRNCSA-N	337.301	2.924	50	50	EFGA	
O=C(CCl)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1	3110940	YSRBCRCOXCHYFP-UHFFFAOYSA-N	327.764	2.836	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1	1476795	VCRSAXMMFDCDKW-VCHYOVAHSA-N	340.408	2.814	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)c(OC)c1	3576455	PZXFHWCEEFXPCL-XDHOZWIPSA-N	328.368	2.866	50	50	EFGA	
C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1cnccn1	4551213	ZHTAKNXPPOEUCN-SRZZPIQSSA-N	345.790	2.573	50	50	EFGA	
C[C@H]1[C@H](C)CCC[C@H]1NC(=S)NNC(=O)c1cccnc1Cl	248533078	SBNSQAFZYJDLMH-JFGNBEQYSA-N	340.880	2.669	50	50	EFGA	
C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccncc1	5041600	DFOMBGOIZRDJAG-CKEIUWERSA-N	329.444	2.902	50	50	EFGA	
CC[C@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@@H](C)Cl	1875377178	AOQJKIDOANKFSL-CHWSQXEVSA-N	331.865	2.599	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)cc1	290960	BJYGPOJUKPHRPP-DEDYPNTBSA-N	337.379	2.586	50	50	EFGA	
CCOc1ccc(/C(CC)=N/NC(=O)c2n[nH]c3c2CCC3)cc1	19891582	SJUMNHFUXNDACO-XDJHFCHBSA-N	326.400	2.841	50	50	EFGA	
Cc1nc(N)sc1C(=O)N/N=C/c1cccc(Br)c1	139696	SYAICIAPBDOFEH-GIDUJCDVSA-N	339.218	2.560	50	50	EFGA	
COCc1ccccc1CN(C(=O)CCl)[C@@H](C)[C@@H]1CCCO1	1875382649	KYOPZKSSXAUIJW-BBRMVZONSA-N	325.836	2.968	50	50	EFGA	
CCc1cc(C(=O)N/N=C/c2ccc(O)cc2O)c2ccccc2n1	249358	BVOPSNAVMYYQNL-RGVLZGJSSA-N	335.363	2.972	50	50	EFGA	
Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)ccc2O)c(C)c1	186285	VKTPLWGPNVHMLN-UHFFFAOYSA-N	348.786	2.502	50	50	EFGA	
Cc1ccc(O[C@H](C)C(=O)NNC(=S)Nc2ccccc2)cc1	6574116	BAWQXFWUKFEGKY-CYBMUJFWSA-N	329.425	2.780	50	50	EFGA	
CCOC(=O)COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1	20432389	BMZSAHBKAFEHMC-UHFFFAOYSA-N	337.379	2.910	50	50	EFGA	
Cn1ncc(Cl)c1C(=O)N/N=C/c1ccccc1C(F)(F)F	371123	MJLNVEDOHVEZQE-NGYBGAFCSA-N	330.697	2.856	50	50	EFGA	
CC1=C(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CCCO1	159103984	QPPILTQKIKMYSQ-JTQLQIEISA-N	334.441	2.718	50	50	EFGA	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c1	47024	IUYWFSVKQKTVDS-RGVLZGJSSA-N	335.319	2.804	50	50	EFGA	
Cn1c(SCC(=O)N/N=C/c2ccccc2O)nc2ccccc21	186604	IWUMIGLLGBWACN-VCHYOVAHSA-N	340.408	2.521	50	50	EFGA	
O=C(COc1cccc(Cl)c1)NNC(=S)Nc1ccccc1	612597	DEXMJDFRHYJXCM-UHFFFAOYSA-N	335.816	2.737	50	50	EFGA	
CC(=O)Nc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1	2485577	VXRLETULDNPZPI-BTDLBPIBSA-N	337.379	2.706	50	50	EFGA	
Cc1cc(=O)n(C)c(=O)n1CCCCCCCCBr	2565453	XNFFMGKTEYEWOJ-UHFFFAOYSA-N	331.254	2.591	50	50	EFGA	
C[C@H](Cl)C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1	1875377606	IGSQWSLETIQCIG-LURJTMIESA-N	334.685	2.574	50	50	EFGA	
CCc1c(C(=O)NNC(=S)NCCc2ccccc2)csc1C	8682456	SXBJYYWZXKGNLH-UHFFFAOYSA-N	347.509	2.971	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	20528887	GMANWMMPLFOLIP-NVXWUHKLSA-N	349.463	2.883	50	50	EFGA	
COc1ccc(/C(C)=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	4989985	LEINHSILSFUPIJ-WQRHYEAKSA-N	343.339	2.766	50	50	EFGA	
O=C(NNC(=S)NCc1ccccc1)c1csc2c1CCCC2	374699	OSLUPVYTBHPGQY-UHFFFAOYSA-N	345.493	2.936	50	50	EFGA	
C[C@]12CC[C@@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)NN)CC[C@H]12	254546582	VVTXMFGLOIFEKN-NGYREGHCSA-N	332.488	2.916	50	50	EFGA	
COc1ccccc1NC(=O)C(=O)N/N=C/C(C)=C\c1ccccc1	2544191	RVSQEPVPLHXKNF-RUKGVYQZSA-N	337.379	2.839	50	50	EFGA	
O=C(CBr)c1cccc(S(=O)(=O)C(F)(F)F)c1	888086816	RPWUNHHSQVTXPL-UHFFFAOYSA-N	331.109	2.558	50	50	EFGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1Br	369665	QGBOHTFCJGRKIW-VGOFMYFVSA-N	338.117	2.714	50	50	EFGA	
Cc1cccc(NC(=O)NNC(=O)COc2ccc(Cl)cc2)c1	371400	HUVLIJACNYBAAA-UHFFFAOYSA-N	333.775	2.880	50	50	EFGA	
COc1nc(CNC(=O)[C@@H](C)Cl)ccc1OCc1ccccc1	1875376507	ZFIVMDYGMLDHKY-GFCCVEGCSA-N	334.803	2.913	50	50	EFGA	
O=C(N/N=C/c1cccn1Cc1cnc(Cl)s1)c1ccncc1	1399327	MBEQVULYZQPWOE-UFWORHAWSA-N	345.815	2.805	50	50	EFGA	
O=C(N/N=C/c1ccncc1)c1ccn(Cc2ccc(Cl)cc2)n1	5031312	AFNNZLPIGYFJOL-RGVLZGJSSA-N	339.786	2.744	50	50	EFGA	
Cn1c(CBr)c(Br)c(=O)n1-c1ccccc1	153528	LSYYOEDKPVQNSU-UHFFFAOYSA-N	346.022	2.833	50	50	EFGA	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1O	196648	HUCLGTLOXLSOIP-INIZCTEOSA-N	326.352	2.606	50	50	EFGA	
Cc1cc(C(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccccc2n1	3056423	YWKWGQZYRLTGNW-UHFFFAOYSA-N	330.347	2.629	50	50	EFGA	
Cc1n[nH]c2c1[C@H](c1cc(Br)cs1)C(C#N)=C(N)O2	192639	VIJQCQDBDUDSBN-JTQLQIEISA-N	337.202	2.760	50	50	EFGA	
COc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1OC	436858	WAMOBKOFFCNJJU-VXLYETTFSA-N	348.786	2.886	50	50	EFGA	
CCc1ccc(OCC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1	32650002	IHMQFKIHJPSDTC-NDENLUEZSA-N	342.395	2.795	50	50	EFGA	
OB(O)c1ccccc1COc1cc(C(F)(F)F)ccc1Cl	169746626	DNZSKCIEUYUZRA-UHFFFAOYSA-N	330.498	2.618	50	50	EFGA	in-vitro
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1	3131977	DBBVUFWAAFJLIK-VXLYETTFSA-N	345.786	2.746	50	50	EFGA	
CCCCCCCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21	100840598	QSDGJULAZZUHMG-UHFFFAOYSA-N	332.360	2.728	50	50	EFGA	
CCOc1cc(/C=N/NC(N)=O)c(Br)cc1OC(C)C	370075	XJWWHFVJQFWYSC-FRKPEAEDSA-N	344.209	2.637	50	50	EFGA	
Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1	363764	SKAIZFCFXOJRNO-UHFFFAOYSA-N	339.804	2.663	50	50	EFGA	aggregator
CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(B(O)O)c1F	675050653	NZMKNLOVGTXSAN-UHFFFAOYSA-N	349.081	2.652	50	50	EFGA	
COc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)NC(=O)CO2	195300841	UAMIKTPEOQSSMW-JYRVWZFOSA-N	334.331	2.816	50	50	EFGA	
OB(O)c1ccc(COc2cc(C(F)(F)F)ccc2Cl)cc1	169903649	SINBWLIQPYPVCZ-UHFFFAOYSA-N	330.498	2.618	50	50	EFGA	in-vitro
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1	952847813	QDZJIEFOKJLXKY-KGLIPLIRSA-N	340.540	2.668	50	50	EFGA	
C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1	12343127	AOBQNFITXRTIIG-UDWIEESQSA-N	329.787	2.610	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c(C)c1C	242244	ZZUFAMKOEJXFIL-MRXNPFEDSA-N	338.363	2.792	50	50	EFGA	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OCC	5608164	WSGYZONUSLKJMW-INIZCTEOSA-N	340.383	2.734	50	50	EFGA	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1	58559	DRHBKGCOYTZUTB-CQSZACIVSA-N	348.786	2.559	50	50	EFGA	
O=C(N/N=C/c1ccc2nonc2c1)c1cc2ccccc2cc1O	1424247	JHTBYCSKROWOOP-VXLYETTFSA-N	332.319	2.846	50	50	EFGA	
COC(=O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	169982720	WKZDNFDZRUWHHI-UHFFFAOYSA-N	328.484	2.736	50	50	EFGA	
COc1cccc2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c(=O)oc12	619760	NBINXOVIWVSFLJ-UHFFFAOYSA-N	341.275	2.929	50	50	EFGA	
CCCc1n[nH]c2c1[C@H](c1cc(OC)ccc1OC)C(C#N)=C(N)O2	32540517	UGLLTZMPZFKQAV-OAHLLOKOSA-N	340.383	2.598	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cccc2ccccc12	2568396	ZVWPHYPVPHNXSS-FYJGNVAPSA-N	347.374	2.937	50	50	EFGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Cl)cc1	48086	MHQQZXSDVZZKKC-RQZCQDPDSA-N	333.731	2.777	50	50	EFGA	
O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1F	446288	CMGWGSMHPCWLOH-UHFFFAOYSA-N	344.367	2.602	50	50	EFGA	
C[C@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1	101687029	GTBCXYYVWHFQRS-SNVBAGLBSA-N	340.426	2.598	50	50	EFGA	
CC1(C)OB(c2cc([N+](=O)[O-])ccc2CBr)OC1(C)C	169955906	QXAHEYUNZWPODZ-UHFFFAOYSA-N	341.998	2.789	50	50	EFGA	
Cc1ccn2c(C(=O)N/N=C\c3ccccc3[N+](=O)[O-])c(C)nc2c1	4460205	JGIWGEZLWQQNCL-ZDLGFXPLSA-N	337.339	2.623	50	50	EFGA	
CCOC(=O)c1sc(NC(=O)CCCl)c(C(=O)OCC)c1C	2024689	RDEKAEFOTAQJND-UHFFFAOYSA-N	347.820	2.977	50	50	EFGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(Cl)cc1	2509122	CZMCRYKUHPJTBG-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
O=C(N/N=C/c1ccc(O)c(O)c1)NC12CC3CC(CC(C3)C1)C2	4737402	IBZLZZUIXRWWSB-VXLYETTFSA-N	329.400	2.700	50	50	EFGA	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccncc1	59397	IDQNMTXQXYTHTB-INIZCTEOSA-N	347.374	2.864	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(F)c3)[C@@H]2C1	988972	IGXJECVPWRTSLN-MSOLQXFVSA-N	347.397	2.571	50	50	EFGA	
Cn1cccc1CNC(=O)[C@@]1(c2ccccc2)C[C@H]1Br	1148114249	SFTXZPYELPTBRB-GDBMZVCRSA-N	333.229	2.747	50	50	EFGA	
C[C@H](Cl)C(=O)Nc1ccc2ncn(-c3ccccc3)c(=O)c2c1	1875380296	KWKKQMLWIZCANN-NSHDSACASA-N	327.771	2.952	50	50	EFGA	
Cc1nn(C)c(NNC(=O)c2ccc(Oc3ccccc3)o2)c1C#N	1875349525	AOVBYGSYNGSUDS-UHFFFAOYSA-N	337.339	2.742	50	50	EFGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@@H]2CCCC(=O)N2)C1	952847812	QDZJIEFOKJLXKY-KBPBESRZSA-N	340.540	2.668	50	50	EFGA	
CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccnc1	1429573	IHZNTQKSXACDQO-ZDUSSCGKSA-N	341.392	2.846	50	50	EFGA	
CCc1ccc(C(=O)NNC(=O)Nc2ccc([N+](=O)[O-])cc2)s1	5060773	ZAIVOUKFPSNGED-UHFFFAOYSA-N	334.357	2.685	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1	43592	NKBDKRKVRGVADB-INIZCTEOSA-N	326.352	2.519	50	50	EFGA	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc(Cl)c1	260550	IECUZIIBFQGPIV-REZTVBANSA-N	347.714	2.741	50	50	EFGA	
Cc1cc(C(=O)NNC(=S)NC2CCCC2)c2cccc(C)c2n1	611677	INLKNCFMRATXEL-UHFFFAOYSA-N	342.468	2.903	50	50	EFGA	
O=C(N/N=C\c1ccccn1)[C@@H]1COc2cc3ccccc3cc2O1	5031122	QSXGNTWICBZJRR-DUQUIBLKSA-N	333.347	2.525	50	50	EFGA	
Cc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)o1	16667503	WLQNZOXWLUBZRW-STZFKDTASA-N	334.375	2.974	50	50	EFGA	
O=C(NNc1cc(-c2ccccc2)nc2ncnn12)Nc1ccccc1	221273983	RKYZQDXJGTVAHH-UHFFFAOYSA-N	345.366	2.940	50	50	EFGA	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(O)cc1	301159	ZLKKJEZOLMEDJU-RQZCQDPDSA-N	349.184	2.684	50	50	EFGA	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1	230451	TZGODVDLHYAZGQ-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
CC(C)(C)OC(=O)N1CC[C@](O)(C(F)(F)F)[C@@H](Br)C1	396137664	MTHBKYXJSOPDME-OIBJUYFYSA-N	348.159	2.684	50	50	EFGA	
COc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1OC	260091	UBAPMBVNTQDXCR-YBFXNURJSA-N	328.368	2.541	50	50	EFGA	
Cn1ncc(Cl)c1C(=O)NNC(=O)Nc1cccc2ccccc12	371675	RMSVXESWENUCTA-UHFFFAOYSA-N	343.774	2.693	50	50	EFGA	
COCCN1CC[C@@H](NC(=O)CCl)[C@@H]1c1ccc(Cl)c(F)c1	1875383512	WXEGETSUGZSUQD-HIFRSBDPSA-N	349.233	2.596	50	50	EFGA	
Cc1sc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1[N+](=O)[O-]	43746	RMIWVMLKJYKCRR-ZDUSSCGKSA-N	331.353	2.780	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@@H]2C1	48786	WMDPBNBNNOIBDP-IAGOWNOFSA-N	349.463	2.883	50	50	EFGA	
O=C(CCN1CCSSCC1)Nc1cc([N+](=O)[O-])ccc1F	685939862	MRLCUWZZMHSSCZ-UHFFFAOYSA-N	345.421	2.760	50	50	EFGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1n[nH]c2c1CCCC2	186385	NWKGDRAXKIYEOI-RGVLZGJSSA-N	334.379	2.911	50	50	EFGA	
C[C@H]1C=CCC(C)(C)[C@@H]1C(=O)C[C@@H](C)NNC(=O)c1ccncc1	5041599	DFOMBGOIZRDJAG-VBQJREDUSA-N	329.444	2.902	50	50	EFGA	
CSc1nc(NNC(C)=O)c2c3c(sc2n1)COC(C)(C)C3	477105	XKEOYJRLGXVZJN-UHFFFAOYSA-N	338.458	2.728	50	50	EFGA	
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\NNC(=O)c1ccccc1	15134096	OFYGVQXKIOOSLU-PDGQHHTCSA-N	348.406	2.844	50	50	EFGA	
CC1=N[C@H](C(=O)I)Cc2c1[nH]c1ccccc21	1857790267	RTJVREUWKHJTHJ-NSHDSACASA-N	338.148	2.863	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OCC	96531	YKTOYPGUSDUNON-INIZCTEOSA-N	328.368	2.730	50	50	EFGA	
O=[N+]([O-])c1cccc(P(=O)(c2ccccc2)c2ccccc2)c1O	38144572	CSMLPTNBZLGGBF-UHFFFAOYSA-N	339.287	2.940	50	50	EFGA	
Cc1ccc(NC(=O)N2CCN(C(=O)[C@H](C)Cl)CC2)cc1Cl	1875363648	PFFXFONIHYCCLK-NSHDSACASA-N	344.242	2.952	50	50	EFGA	
COc1cc(/C=N/NC(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC	271301	NIEXGWXACDDKOY-LICLKQGHSA-N	344.327	2.768	50	50	EFGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1F	240796	ZSSDFHYWYJZLIB-CQSZACIVSA-N	334.322	3.000	50	50	EFGA	
COc1cc(OC)c(/C(C)=N\NC(=O)c2ccccc2O)c(OC)c1	4957969	XEXUTFIYELVTSG-ODLFYWEKSA-N	344.367	2.572	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccc(F)c1	1426897	PIZOUDFQBDSZCO-MRXNPFEDSA-N	347.349	2.896	50	50	EFGA	
O=C1C[C@@]2(C[C@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1	4698184	LPSVVRZVYWYOIT-SKDRFNHKSA-N	342.580	2.872	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)COc2ccccc2C)c(O)c1	314458	NLFHWELGEQLCMI-YBFXNURJSA-N	328.368	2.628	50	50	EFGA	
O=C(N/N=C\C(Br)=C\c1ccccc1)c1cnccn1	5010096	VZQQEUNBFBIFGK-PSGQQEAGSA-N	331.173	2.628	50	50	EFGA	
COc1ccccc1C(=O)NNC(=O)COc1ccccc1C(C)C	578710	WRHDOXOCAWOWCL-UHFFFAOYSA-N	342.395	2.659	50	50	EFGA	
CCCCn1c(=O)c(C(=O)NCCCCl)c(O)c2ccccc21	100498416	PSHNPDNKCIPUGG-UHFFFAOYSA-N	336.819	2.866	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)cc1	181301	MKPWOBWCKUBLTF-VPNURPJOSA-N	336.395	2.831	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)cc1O	432813	WGPDYRLGPLTJSO-XDHOZWIPSA-N	327.384	2.621	50	50	EFGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1	5465650	SLHBQQLFNRYIPS-YBFXNURJSA-N	345.786	2.828	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2sccc2C)cc(OC)c1OC	370815	OXPATRLELNYLOX-RQZCQDPDSA-N	334.397	2.846	50	50	EFGA	
O=C(Cc1c[nH]c2ccccc12)NNC(=S)NC1CCCCC1	2539503	MLBAOTQFZQLBOO-UHFFFAOYSA-N	330.457	2.538	50	50	EFGA	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1	4899431	GUVOBXQVANZIKH-ZDUSSCGKSA-N	336.344	2.900	50	50	EFGA	
COc1cc(C(=O)NCCSSCCC(=O)O)ccc1C	1875388816	RKOQQGRJLWZDCV-UHFFFAOYSA-N	329.443	2.590	50	50	EFGA	
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(Cl)cc1	4229216	UGVBRCHKNCTMHL-VXLYETTFSA-N	325.755	2.945	50	50	EFGA	
O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccs1	320299	FZSQDLZFJCHJLB-UHFFFAOYSA-N	326.377	2.741	50	50	EFGA	aggregator
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(O)c1	284822	PWRGWYBCBVJYRX-OAHLLOKOSA-N	332.315	2.717	50	50	EFGA	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1O	299245	WRBYHQFAUBIBTH-UHFFFAOYSA-N	346.386	2.985	50	50	EFGA	
Cc1cc(OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)nnc1C	170622872	IGMSPNLTZMZYCS-IMFRVGKLSA-N	330.432	2.791	50	50	EFGA	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1F	72705	PLVXIDZDZRBSAH-GIJQJNRQSA-N	328.372	2.944	50	50	EFGA	
Cc1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1	4602310	AIUWCMXJUDQRFY-VXLYETTFSA-N	326.352	2.531	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	491716	JFBMJJVFWIQOIK-WOJGMQOQSA-N	343.339	2.523	50	50	EFGA	
O=C(N/N=C\c1ccncc1)[C@H]1COc2cc3ccccc3cc2O1	32614432	PRHAVSQUVNCPPP-UTYYKHSJSA-N	333.347	2.525	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1ccc(F)c(F)c1	1875380429	ORHWUJGWCZJQRF-ZWZTZDBGSA-N	328.790	2.986	50	50	EFGA	
O=C(N/N=C/c1ccco1)c1ccccc1I	588031	KBTHKHIRKQZIAD-RIYZIHGNSA-N	340.120	2.648	50	50	EFGA	
O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)c(Cl)c1	5670499	QJQCNBGOXCUBNL-UHFFFAOYSA-N	325.155	2.855	50	50	EFGA	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1cccnc1	48908	WOZMJEMYAGETRK-MRXNPFEDSA-N	347.374	2.864	50	50	EFGA	
Cc1cccc(NC(=O)NNC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	371379	DMKKZYCQTDVFGV-UHFFFAOYSA-N	328.328	2.678	50	50	EFGA	
CC1CCN(C(=O)OC[C@@H]2CCCCN2C(=O)[C@@H](C)Cl)CC1	1875380180	HPMCRMWKDJQXIW-KGLIPLIRSA-N	330.856	2.863	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1	2675658	YQXNCVAMOBGGIG-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1	4231415	JBKCGZMEPRVRTP-XSFVSMFZSA-N	338.411	2.622	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1	4259650	GNJWGMLSMGAARJ-YBFXNURJSA-N	345.786	2.828	50	50	EFGA	
COc1cccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)c1	260258	IBQNOJACVLFVBP-UHFFFAOYSA-N	336.347	2.629	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1cccs1	1426905	SVSPVLOGBQCVBT-AWEZNQCLSA-N	335.388	2.818	50	50	EFGA	
CCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	251046	KADBKVCUSJXYOH-XDHOZWIPSA-N	328.368	2.866	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)CNC(=O)Nc2cccc(Cl)c2)cc1	2141385	QLDRWQJSHJNOBO-KEBDBYFISA-N	344.802	2.920	50	50	EFGA	
Cc1ccccc1NC(=O)NNC(=O)c1cc(O)nc2ccccc12	170619919	XYOHIHVLIUOJLE-UHFFFAOYSA-N	336.351	2.715	50	50	EFGA	
Cc1ccc(/C=C/C(=O)NNc2nc(-c3ccncc3)no2)c(C)c1	110682959	NHCJSDGQYBVTNH-AATRIKPKSA-N	335.367	2.905	50	50	EFGA	
CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccc(F)cc1	19879435	XHIZDWJAHJSDLO-WLGVBFMHSA-N	325.343	2.970	50	50	EFGA	
CC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@H]1c1ccccc1	282864	WPTCKFOSWCAVJU-MRXNPFEDSA-N	328.393	2.789	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@H]2C1	1022465	FPTLOLQFVKCXGF-RBUKOAKNSA-N	343.434	2.820	50	50	EFGA	
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1cccc(Cl)c1	2519918	QFDBQBQUUZICJA-VXLYETTFSA-N	325.755	2.945	50	50	EFGA	
COc1ccc(NCCCC(=O)N/N=C/c2ccccc2O)cc1	2996066	XNLYZMIDFBIQMX-DEDYPNTBSA-N	327.384	2.743	50	50	EFGA	
COc1ccc(O)c(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1	286384	NMHDSZLWVWBLON-VURRPDKYSA-N	348.786	2.972	50	50	EFGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2cccs2)n[nH]1	5296785	LSHOCQBABGGITP-CXUHLZMHSA-N	341.352	2.810	50	50	EFGA	
BrCCOCCOCCOCCOCc1ccccc1	1542984457	QOLRJPZRCKWFBQ-UHFFFAOYSA-N	347.249	2.648	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1O	584748	OEJQNOBMPDXRQB-YBFXNURJSA-N	328.368	2.628	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)c2cc(C(C)C)n[nH]2)cc1OC	13646694	RZFTXCWESLHPRE-WOJGMQOQSA-N	330.388	2.704	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1C	282981	AXABDYZAGLQEIL-MRXNPFEDSA-N	340.379	2.827	50	50	EFGA	
CN(C)/C=C(\C#N)C(=O)/N=C/NOCc1c(Cl)cccc1Cl	4001991	CEGXTRQSFNPMFE-JXMROGBWSA-N	341.198	2.539	50	50	EFGA	
O=C1C[C@]2(CCCN(C(=O)CCCC[C@H]3CCSS3)C2)CN1	170643648	MFWKADQPRBLIQI-XJKSGUPXSA-N	342.530	2.829	50	50	EFGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1	3667177	BHZDMRYJUXIQQI-MRXNPFEDSA-N	326.352	2.506	50	50	EFGA	
O=C(N/N=C/c1ccccc1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	230071	NHQZZVPHQWIBHM-WOJGMQOQSA-N	335.323	2.749	50	50	EFGA	
O=C(CN1CCCCC1)N/N=C/c1cc2ccccc2nc1Cl	233633	HXOZJDHYGYGOOS-YBFXNURJSA-N	330.819	2.824	50	50	EFGA	
COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1Cl	13520085	HFMHKSVQSVQZDZ-UHFFFAOYSA-N	349.843	2.909	50	50	EFGA	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1cccc(F)c1	5730116	NRZUJZHSQXAYTL-RGVLZGJSSA-N	338.342	2.789	50	50	EFGA	
CCOc1cc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1O	32617907	WRKAZXHJPOIHKE-ZDLGFXPLSA-N	330.388	2.575	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1Cl	291111	BQJZVWBLEGWKSF-LEKRSAHOSA-N	346.770	2.639	50	50	EFGA	
COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1OC	3149460	AMKBXAPFYLTHRU-XDHOZWIPSA-N	327.384	2.534	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@@H](c2ccccc2Cl)C2=C1CCCC2=O	72350	ABEVPTIRWDFIDX-MRXNPFEDSA-N	342.830	2.917	50	50	EFGA	
COCc1nc(C)c(C(=O)OC[C@@]2(C)C[C@@H]2Br)s1	888099471	LIZJNRWRHVBDNK-QPUJVOFHSA-N	334.235	2.928	50	50	EFGA	
Cn1/c(=N\NC(=O)Nc2ccc3c(c2)OCO3)sc2ccccc21	222050571	HMAYFSGCQNHLQH-KNTRCKAVSA-N	342.380	2.606	50	50	EFGA	
O=C(COc1ccccc1Cl)N/N=C/c1ccccc1[N+](=O)[O-]	566411	WJODONYFTXMPLS-RQZCQDPDSA-N	333.731	2.777	50	50	EFGA	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)c1	358256	MRVXECNBMTVSSO-VXLYETTFSA-N	326.356	2.774	50	50	EFGA	
C/C(=N\NC(=O)Cc1ccc(Br)cc1)c1cccnc1	15934382	SGGKYAWMBWMNKB-WOJGMQOQSA-N	332.201	2.927	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCCN(c2ccc(-c3ccccc3)nn2)CC1	1875363975	GMIKHDZQWVXCRC-AWEZNQCLSA-N	344.846	2.810	50	50	EFGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(O)c(O)c1	196705	CSUIFALCJSGFHD-OAHLLOKOSA-N	326.352	2.549	50	50	EFGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(F)c2)[C@H]2CSCC=C12	19874989	JWUYAWQXVCDGMQ-JKSUJKDBSA-N	336.395	2.982	50	50	EFGA	
O=C(CCl)N1CCN([C@@H](c2ccccc2)C2CCOCC2)CC1	1875386917	DWCGNWLFDAOFSP-SFHVURJKSA-N	336.863	2.537	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@@H]2C1	13479780	PSSVTCUXUCQBCL-QZTJIDSGSA-N	347.397	2.571	50	50	EFGA	
CCc1cccc(C(C)(C)C)c1NC(=S)N/C=C(\C#N)C(N)=O	102308167	KYFOIAWKPSURFK-ZRDIBKRKSA-N	330.457	2.726	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3)[C@@H]2C1	5799164	FPTLOLQFVKCXGF-RTBURBONSA-N	343.434	2.820	50	50	EFGA	
CC/C(=N/NC(=O)c1cc(OC)cc(OC)c1)c1cc(O)ccc1O	13321762	MWOWLLUMXYXOFV-MNDPQUGUSA-N	344.367	2.659	50	50	EFGA	
O=C(CCl)NC1(c2noc([C@@H]3CCCO3)n2)CCCCCC1	1875378011	TXIGNCKIDWYVOZ-NSHDSACASA-N	327.812	2.826	50	50	EFGA	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)ccc1OC	207323	KFXRQLWEWVNXLY-GOSISDBHSA-N	337.379	2.894	50	50	EFGA	
COc1cccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)c1	5318989	DBUAMNZOVDLIHH-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
O=C(CCl)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2	1446111	AJZADVIQBNWEHK-UHFFFAOYSA-N	331.755	2.866	50	50	EFGA	
CC/C(=N/NC(=O)c1n[nH]cc1Br)c1cccs1	6855774	UUYBPDCYGFMKGT-ZSOIEALJSA-N	327.207	2.778	50	50	EFGA	
COC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1	8973095	ZBCFBPYJRHOKAV-JTQLQIEISA-N	336.800	2.585	50	50	EFGA	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1	186319	DHJZAXSEIXJAEQ-VCHYOVAHSA-N	340.408	2.814	50	50	EFGA	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccccc1Cl	194018	ULPGJNDYHFETTA-GFCCVEGCSA-N	329.183	2.750	50	50	EFGA	
C=CCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1	4229143	MVUBTKUYVISPGK-FYJGNVAPSA-N	347.374	2.857	50	50	EFGA	
COC(=O)N1[C@@]2(C)C[C@@H](Br)[C@@H](Br)C[C@@]12C	101042683	YTEVIEXXRRVNPO-FZVWYJBASA-N	341.043	2.907	50	50	EFGA	
CCn1c(SCC(=O)N/N=C/c2ccccn2)nc2ccccc21	55589	ORLYKLWXTAKRFX-YBFXNURJSA-N	339.424	2.694	50	50	EFGA	
C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1	100300293	OGHMNHAQTLGLSJ-XDHOZWIPSA-N	340.339	2.729	50	50	EFGA	
Cc1[nH]c2ccc(C(=O)NNc3nc4ccccc4c(=O)[nH]3)cc2c1C	137150703	MMANWUDPGJOAPA-UHFFFAOYSA-N	347.378	2.778	50	50	EFGA	
COC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	8973579	KCSZCWYFXLIIHE-NSHDSACASA-N	336.800	2.585	50	50	EFGA	
NNC(=O)c1cc(-c2ccc(OCc3ccccc3Cl)cc2)n[nH]1	9015328	QNKJABKYALCFPG-UHFFFAOYSA-N	342.786	2.913	50	50	EFGA	
Cc1cc(=O)[nH]c(-c2cccc(NC(=O)/C(C#N)=C\c3ccco3)c2)n1	130886069	IRDFBDYPGDBXED-UVTDQMKNSA-N	346.346	2.884	50	50	EFGA	
CO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1	50435	ZEKJGXCVUBRMBX-SAZDUXMNSA-N	337.423	2.765	50	50	EFGA	
O=C(NNC(=S)NCc1ccco1)c1csc2c1CCCC2	17070657	ZRIFLZSTRRRPLA-UHFFFAOYSA-N	335.454	2.529	50	50	EFGA	
C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1	3096769	ZBMMXJQOIZBBIF-DEDYPNTBSA-N	340.379	2.789	50	50	EFGA	
C[C@@H](Cl)C(=O)Nc1ccc(=O)n(Cc2ccc(F)cc2F)c1	1875380177	HOXIVRXEABPONL-SECBINFHSA-N	326.730	2.741	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1F	1427323	GPDLIARMQUAXLJ-INIZCTEOSA-N	347.349	2.896	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3F)[nH]n2)cc1	5297707	SUTOFUPSGADHCD-RGVLZGJSSA-N	338.342	2.988	50	50	EFGA	
CO/N=C/C(C#N)=C/c1cc(C(=O)c2ccc([N+](=O)[O-])cc2)cn1C	3046903	CIXRRIMXXWVWGD-GXOOYUHISA-N	338.323	2.703	50	50	EFGA	
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)CCl	1875369728	CVTVVHGFTYBABV-CQSZACIVSA-N	338.835	2.703	50	50	EFGA	
C#CCCC1(CCC(=O)NNc2cccc(C(=O)OC)c2C)N=N1	2325804689	GKOUJKLKOPVQAN-UHFFFAOYSA-N	328.372	2.580	50	50	EFGA	
Cc1ccc(C)c(C(=O)NCCSSCCC(=O)O)c1O	1875388971	WUNZALVONGOYII-UHFFFAOYSA-N	329.443	2.595	50	50	EFGA	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1	15685873	ZOBACXSEVSUAES-PTNGSMBKSA-N	336.347	2.784	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccsc1	1426902	VQVKDDIDRCAFKV-AWEZNQCLSA-N	335.388	2.818	50	50	EFGA	
O=C(NNC(=O)c1ccc(Cl)s1)Nc1ccc2c(c1)OCO2	611322	BCWYUANLSUIZJL-UHFFFAOYSA-N	339.760	2.597	50	50	EFGA	
Cc1sccc1CN(C[C@@](C)(O)C(F)(F)F)C(=O)CCl	1875382760	PLBFKCGBXBYELM-LLVKDONJSA-N	329.771	2.937	50	50	EFGA	
CC(C)(C)OC(=O)NNC1CCN(C(=O)OCc2ccccc2)CC1	35846148	KCELIGHSCQKNIR-UHFFFAOYSA-N	349.431	2.817	50	50	EFGA	in-vitro
O=C(NN=Cc1ccccc1C(F)(F)F)c1cc(O)c(O)c(O)c1	252680335	ZHRRDCOZIVVSJG-UHFFFAOYSA-N	340.257	2.586	50	50	EFGA	
O=C(O)CCSSCCNC(=O)CCc1cc(F)cc(F)c1	1875388623	IYMKLRSGIZHYIM-UHFFFAOYSA-N	349.424	2.870	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2cc(C)oc2C)c(OC)c1OC	381501	CZCBNYTULQKKNN-GIJQJNRQSA-N	332.356	2.686	50	50	EFGA	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1	2568397	CLJINUBUIWSYSS-FYJGNVAPSA-N	347.374	2.937	50	50	EFGA	
O=C(NNC(=O)c1cccc(Br)c1)c1ccc(F)cc1	292634	QVRUVTYWXOBEPE-UHFFFAOYSA-N	337.148	2.663	50	50	EFGA	
N#Cc1c(NC(=O)CCl)c(C(=O)c2ccccc2)n2c1CCC2	440400	ONCXYOTVJLUZDH-UHFFFAOYSA-N	327.771	2.714	50	50	EFGA	
O=C(CCCCC(=O)NNc1ccccc1)NNc1ccccc1	3130481	NHDZJQOOKFWONW-UHFFFAOYSA-N	326.400	2.833	50	50	EFGA	
CCSc1cc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC)c(C)o1	618575	LUGUILBIPHXDCT-CQSZACIVSA-N	334.397	2.955	50	50	EFGA	
COc1cccc(CN(Cc2cccnc2)C(=O)CCl)c1OC	1875375625	GJLXSRISHJWTFM-UHFFFAOYSA-N	334.803	2.866	50	50	EFGA	
O=C(N/N=C/c1cc(Br)ccc1O)c1cccs1	228067	GNYPIZMCVMSWEK-VGOFMYFVSA-N	325.187	2.980	50	50	EFGA	
O=C(CNC(=O)Nc1cccc(Cl)c1)N/N=C/Cc1ccccc1	4828622	ZUVDFLPUQKHMNV-KEBDBYFISA-N	344.802	2.806	50	50	EFGA	
CC1(C)OB(c2ccc(OCCBr)cc2)OC1(C)C	169746274	NTTOMYNPPZBRBG-UHFFFAOYSA-N	327.027	2.760	50	50	EFGA	in-vitro
Cc1cc(C)c([N+](=O)[O-])c(C)c1C1C(C#N)=C(N)SC(N)=C1C#N	19797659	QMUSLDOBOBQBEP-UHFFFAOYSA-N	341.396	2.738	50	50	EFGA	
Cc1cccnc1OC1CCN(S(=O)(=O)CCCCCl)CC1	241466093	NUTSPAYBLSXVCC-UHFFFAOYSA-N	346.880	2.582	50	50	EFGA	
COc1cc(C(=O)N/N=C/c2ccsc2C)cc(OC)c1OC	432817	AYVUMJJNEANSDG-RQZCQDPDSA-N	334.397	2.846	50	50	EFGA	
O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NN=C1CCCCC1	5765423	DGTODNVLBSXTSM-UHFFFAOYSA-N	332.360	2.750	50	50	EFGA	
O=C1[C@H](Cl)O[C@](O)(Cl)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]12Cl	6862751	BZGQLKJNISWUDN-GBNDHIKLSA-N	346.808	2.694	50	50	EFGA	
O=C(CSCc1ccccc1)NNC(=S)NCc1ccccc1	6529549	PAVLPKAMFXXFOM-UHFFFAOYSA-N	345.493	2.615	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(F)c3)[C@@H]2C1	13479767	IGXJECVPWRTSLN-QZTJIDSGSA-N	347.397	2.571	50	50	EFGA	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(C(=O)O)cc2Cl)c1	1775996420	AEAIXBNTOYRWJB-VXLYETTFSA-N	345.786	2.868	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@@H]2C1	13512636	OMEVRFWLDALZEV-IAGOWNOFSA-N	349.825	2.695	50	50	EFGA	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCc1c(F)cccc1F	221899416	CPOYUNQMHIIUJY-JLHYYAGUSA-N	328.318	2.936	50	50	EFGA	
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1	617324	MMLATPXWPDELGA-MRVPVSSYSA-N	339.244	2.506	50	50	EFGA	
O=C(N/N=C/c1cc(Br)ccc1O)c1cc(C2CC2)n[nH]1	6493874	DFNMQUBKGZRZEN-FRKPEAEDSA-N	349.188	2.519	50	50	EFGA	
O=C(Cc1cccc2c1CCCC2)N/N=C/c1ccc2c(c1)OCO2	43761207	QFHHEDCAUJWAFI-CIAFOILYSA-N	336.391	2.987	50	50	EFGA	
CCn1cc(C(=O)NN)c(=O)c2cc(F)c(NC3CCCCC3)cc21	117919	SAZQIQDVONFJHO-UHFFFAOYSA-N	346.406	2.509	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@H]2C1	35895422	OMEVRFWLDALZEV-IRXDYDNUSA-N	349.825	2.695	50	50	EFGA	
Cn1c(SCC(=O)N/N=C/c2ccccc2F)nc2ccccc21	55621	IJJXTPDVRHVGPN-VXLYETTFSA-N	342.399	2.955	50	50	EFGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1	4335831	KTIIPURYDIKMJH-YBFXNURJSA-N	329.787	2.991	50	50	EFGA	
O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(B(O)O)c1	169744365	LMBBYNIBIICXJK-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccccc2O)c1	5548203	DEOQPBDIZNYWTP-XDHOZWIPSA-N	325.368	2.570	50	50	EFGA	
CCn1ncc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C	19840787	VJAJPRLYWXWDJL-RHSMWYFYSA-N	332.411	2.805	50	50	EFGA	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	562540	IWUGWMSVTWISEH-GIJQJNRQSA-N	332.743	2.567	50	50	EFGA	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1O	566539	IULMXTMTVLZKFC-GIJQJNRQSA-N	334.759	2.583	50	50	EFGA	
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)[C@@H](O)c1ccccc1	12343068	KZJBSZPXXBGTGL-JMYADPNJSA-N	338.363	2.654	50	50	EFGA	
COc1ccc(N2C(S)=C(C#N)C(=O)NC23CCCCC3)cc1	613201	ZBNBGBHHMXWEFC-UHFFFAOYSA-N	329.425	2.957	50	50	EFGA	
CC(C)(O)C(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1	32578348	UWVSOTJXRCDIQH-OQTFOHMESA-N	338.407	3.000	50	50	EFGA	
O=S(=O)(O)c1cccc(P(c2ccccc2)c2ccccc2)c1	59402009	ITPOKAFWZBFZCV-UHFFFAOYSA-N	342.356	2.692	50	50	EFGA	in-vitro
COc1cc(/C=N/NC(=O)c2cc(C)oc2C)cc(OC)c1OC	228281	VXUDWQQBBUACAE-GIJQJNRQSA-N	332.356	2.686	50	50	EFGA	
COc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1OC	34200761	FLVSEVZGYUOTRH-SRZZPIQSSA-N	337.379	2.878	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1	232643	YWSFVNILVDNXES-XDHOZWIPSA-N	337.383	2.578	50	50	EFGA	
C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc(N)cc1	5296829	MGCBUZKWDGFVGX-WSDLNYQXSA-N	345.406	2.912	50	50	EFGA	
CCC(=O)NNC(=S)Nc1ccc(Br)cc1Cl	6396438	UWHBHSZXWQSURX-UHFFFAOYSA-N	336.642	2.830	50	50	EFGA	
Cn1c(=O)n(C)c2cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)ccc21	4810686	GFZFEXKBJWMKMT-DHDCSXOGSA-N	333.347	2.639	50	50	EFGA	
CCn1ncc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	37399	AFBCZDQOPIIENE-HNNXBMFYSA-N	326.400	2.662	50	50	EFGA	
O=C(N/N=C\c1ccccn1)[C@H]1COc2cc3ccccc3cc2O1	5031119	QSXGNTWICBZJRR-UTYYKHSJSA-N	333.347	2.525	50	50	EFGA	
O=C(O)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1	5687376	MODJLDYPIMHSEF-RQZCQDPDSA-N	340.364	2.600	50	50	EFGA	
Cc1cc2c(c(=O)o1)[C@H](c1ccc(Br)o1)C(C#N)=C(N)O2	207823	FHMLYSIXJNSQIA-NSHDSACASA-N	349.140	2.522	50	50	EFGA	
COc1ccc(Cl)cc1NC(=O)NNC(=O)c1ccc(O)cc1	2143628	PFAPDCRLTCWSHB-UHFFFAOYSA-N	335.747	2.521	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1O	4261207	OYHYKTUWCDLIIX-UDWIEESQSA-N	337.379	2.518	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1	4372617	FMKAOHJPTSUEBD-HWQJWEFDSA-N	343.339	2.521	50	50	EFGA	
O=C1CC2(CCN(C(=O)[C@@H](F)Cl)CC2)Oc2ccc(F)cc21	2325898563	LPESZWVIVUJXMT-CYBMUJFWSA-N	329.730	2.687	50	50	EFGA	
CC(=O)c1cccc(NC(=S)NNC(=O)CCc2ccccc2)c1	6385747	OBBGXCGOYMTLGM-UHFFFAOYSA-N	341.436	2.840	50	50	EFGA	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3nonc3N)o2)cc1Cl	275908	HPPNSAANEAWYFT-CNHKJKLMSA-N	345.746	2.638	50	50	EFGA	
O=C1[C@H](Cl)O[C@](O)(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@@]12Cl	254565827	BZGQLKJNISWUDN-JWXFUTCRSA-N	346.808	2.694	50	50	EFGA	
CCc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc1	59896	BGPKTQHEOSJNOL-RSZPVBOMSA-N	335.407	2.752	50	50	EFGA	
O=S(=O)(c1ccccc1)N1[C@H]2CC=C[C@H](Br)CC[C@H]21	71785416	HQSWHQYJVQENOD-CLJRNHLWSA-N	342.258	2.932	50	50	EFGA	
O=C(N/N=C1\CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21)c1ccncc1	439987	BAVUMXJNNFZFPE-LTGZKZEYSA-N	349.350	2.942	50	50	EFGA	
O=C(N/N=C/c1ccc(O)c(O)c1O)c1ccc(Cl)cc1Cl	440505	RVKXOSUKVOSSRW-UBKPWBPPSA-N	341.150	2.874	50	50	EFGA	
O=C1C[C@@]2(CCCN(C(=O)CCCC[C@@H]3CCSS3)C2)CN1	170643641	MFWKADQPRBLIQI-CJNGLKHVSA-N	342.530	2.829	50	50	EFGA	
CC1CCN(C(=O)OC[C@H]2CCCCN2C(=O)[C@@H](C)Cl)CC1	1875380182	HPMCRMWKDJQXIW-ZIAGYGMSSA-N	330.856	2.863	50	50	EFGA	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccncc2)[nH]n1	232908	XEMZSBHFQOLHNB-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
Cc1n[nH]c2c1[C@@H](c1c(C)nn(-c3ccccc3)c1C)C(C#N)=C(N)O2	32465135	UDAHNFVDPRZCCX-QGZVFWFLSA-N	346.394	2.739	50	50	EFGA	
Cc1ccc(-c2cc(CN3CC[C@H](NC(=O)CCl)C3)on2)cc1	1875384480	QKNFDKDZCPNQHK-AWEZNQCLSA-N	333.819	2.579	50	50	EFGA	
O=C1Nc2ccccc2/C1=N\NC(=O)c1cccc(Br)c1	5731670	CBMIZMDLIPTNIX-UHFFFAOYSA-N	344.168	2.535	50	50	EFGA	
CCCCc1ccc(NC(=O)c2ccc(B(O)O)c(Cl)c2)cc1	169744434	IKCAHNVPPJULRL-UHFFFAOYSA-N	331.608	2.615	50	50	EFGA	
CCCc1ccc(OCC(=O)N/N=C\c2cc(OC)ccc2O)cc1	55483946	YOLZQLWFBIXLIX-NDENLUEZSA-N	342.395	2.882	50	50	EFGA	
CCOc1ccc([C@@H](C)NC(=O)CCCNC(=O)[C@@H](C)Cl)cc1	1875364268	MWPBPRXZQQIZQH-CHWSQXEVSA-N	340.851	2.786	50	50	EFGA	
CCn1ncc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1C	19840791	VJAJPRLYWXWDJL-YOEHRIQHSA-N	332.411	2.805	50	50	EFGA	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccc(C)cc1	4677188	UMZBQUORMUTLRT-RCCKNPSSSA-N	339.395	2.895	50	50	EFGA	
O=C(Cn1c(=O)sc2ccccc21)Oc1ccc([N+](=O)[O-])cc1	5740001	DIYOSXYMRNBIPE-UHFFFAOYSA-N	330.321	2.577	50	50	EFGA	
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccncc1	1422115	HBIKCBRAMORLLY-AWEZNQCLSA-N	333.372	2.875	50	50	EFGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1	2509121	BSJIRCPGHDHLLH-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
N#C/C(=C\c1cccc2ccccc12)c1nn(CCO)c(N)c1C#N	4474695	ACYKMQHFKZVFEB-XNTDXEJSSA-N	329.363	2.547	50	50	EFGA	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OC	262445	RMWSGSBZOVRKLO-NTEUORMPSA-N	326.352	2.910	50	50	EFGA	
Cc1cccc(C(=O)NNC(=S)Nc2ccccc2)c1[N+](=O)[O-]	439133	XCBQXSXHEGJFJS-UHFFFAOYSA-N	330.369	2.535	50	50	EFGA	
CCCc1n[nH]c2c1[C@@H](c1ccc(OC)cc1OC)C(C#N)=C(N)O2	4740107	BDGSLSCWWPISTB-HNNXBMFYSA-N	340.383	2.598	50	50	EFGA	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)ccc1O	36781	YKNBWYUQARFGAW-INIZCTEOSA-N	340.379	2.852	50	50	EFGA	
COc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c(OC)c1	276749	HZPBMIIBKALIRA-XDHOZWIPSA-N	327.384	2.534	50	50	EFGA	
N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@H](C#N)[C@H]2CCCC=C12	19827347	FZNFUVUESUJZPJ-KVSKMBFKSA-N	345.362	2.972	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)[C@@H](C)Cn1cnc2ccccc21	544658	HGACQYGBLCDJOE-FVUPAENESA-N	336.395	2.831	50	50	EFGA	
O=C(CN1CCCCCC1)N/N=C/c1ccc(Br)cc1	4990679	BSTJTCYRDCEOBQ-GZTJUZNOSA-N	338.249	2.775	50	50	EFGA	
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/C=C/c1ccco1	2762391	CRKYAHQHAUQTHJ-FFJLXHKCSA-N	329.312	2.771	50	50	EFGA	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc2ccccc12	4326831	KDJGVTILLINTDH-FSJBWODESA-N	349.365	2.859	50	50	EFGA	
O=C(N/N=C/c1cccs1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	448598	DPHRWPSMQBGDJW-PBFYJAPKSA-N	347.827	2.905	50	50	EFGA	
CC(C)/N=C1/S[C@H]2CS(=O)(=O)[C@H](Br)[C@@]2(C)S1	334163088	LGLVMTROHNJGDS-FTITWWOASA-N	344.321	2.508	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(OC)c1	12343206	IOYOSHMPBNPQRS-WOJGMQOQSA-N	343.339	2.766	50	50	EFGA	
O=C(COc1ccccc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1	566461	HEWVOWVMHSOUMU-RQZCQDPDSA-N	333.731	2.777	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)ccc1O	72444	SWAUFEAYABALDK-RQZCQDPDSA-N	342.380	2.616	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@H](c2cccs2)C2=C1CC(C)(C)CC2=O	72406	ZMBFYTOJFYKXFM-OAHLLOKOSA-N	342.468	2.961	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1ccccc1	1427245	KCNXNRFKTQMFII-INIZCTEOSA-N	329.359	2.757	50	50	EFGA	
Cc1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)[nH]n1	8556204	NTYYUZQHJRSYJQ-OOBCCFMBSA-N	333.189	2.870	50	50	EFGA	
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N	252628706	SWAJIWWXRRYRDI-PAPWGAKMSA-N	329.440	2.744	50	50	EFGA	biogenic
O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cl)c(B(O)O)c1	169744295	JISRVYPGQJIELD-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	299629	PTQHNQTWLBUDMT-UHFFFAOYSA-N	341.367	2.967	50	50	EFGA	
CC(C)(C)c1conc1C(=O)NCCSSCCC(=O)O	1875388964	WRPJNIFAFQLBIB-UHFFFAOYSA-N	332.447	2.558	50	50	EFGA	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccc(O)cc1	554586	GUOSWZLRAXDOGY-RQZCQDPDSA-N	326.381	2.511	50	50	EFGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1	4366373	NGNWYUDJZWPIRG-HWQJWEFDSA-N	343.339	2.521	50	50	EFGA	
C[C@H](NC(=O)CCl)c1nc(-c2ccc(Br)cc2)no1	1253968172	KQGQNTHNJDMBEJ-ZETCQYMHSA-N	344.596	2.915	50	50	EFGA	
O=C(NNC(=O)C1CCCCC1)c1ccc(Br)cc1	443448	ZUORSWVZRKYZSA-UHFFFAOYSA-N	325.206	2.790	50	50	EFGA	
O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/C=C/c1ccccc1	2894316	JATBELFKDDLPPW-HSAFBGTQSA-N	333.391	2.631	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C1CCCC2=O	74974	IEZYRBSIUKLLAL-MRXNPFEDSA-N	342.830	2.917	50	50	EFGA	
COc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2O)cc1	260262	DDJUACIDSNNEBS-UHFFFAOYSA-N	336.347	2.629	50	50	EFGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCC2(CC1)OCCO2	522903	KNQRFJRNEDUILA-UHFFFAOYSA-N	344.411	2.657	50	50	EFGA	
CCOc1cccc(/C=N/NC(=O)CNc2cccc(C)c2)c1O	3136510	OGPKAIULCBZPNJ-RGVLZGJSSA-N	327.384	2.662	50	50	EFGA	
O=C(Nc1c[nH]nc1[C@@H]1CCCN(C(=O)CCl)C1)c1ccccc1	1875375279	XAKGHVZMCXVWOQ-CYBMUJFWSA-N	346.818	2.607	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c(O)c1	435520	JRJKAPPILODPEW-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
O=C(N/N=C/c1cccc(O)c1)c1n[nH]c2c1CCc1ccccc1-2	6161382	ZBHSAMPSJSJVOL-RGVLZGJSSA-N	332.363	2.645	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@H]1c1ccc(F)cc1	91208	OHBPHEISTUCUBK-AWEZNQCLSA-N	333.326	2.829	50	50	EFGA	
COc1ccc(NC(=O)C(=O)N/N=C(C)/C=C/c2ccccc2)cc1	43639805	UQBHHBRBDSXXDT-QULCHTJLSA-N	337.379	2.839	50	50	EFGA	
Cc1ccc(C(=O)N/N=C\c2ccc(I)o2)o1	5008657	OCVNPUBZHPLWKA-MLPAPPSSSA-N	344.108	2.550	50	50	EFGA	
O=C(NNC(=O)c1ccncc1)Nc1ccc(Cl)cc1Cl	16648293	JRGHXWCUDXQEDU-UHFFFAOYSA-N	325.155	2.855	50	50	EFGA	
O=C(Nc1cccc(Cl)c1Cl)c1ccc(B(O)O)c(Cl)c1	169744123	GZRMDXGEPWNCAV-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
COc1cc(Cl)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	470443	OHUKXYKIUXCQQX-CQSZACIVSA-N	346.774	2.607	50	50	EFGA	
O=C(CCN1CCCCC1)N/N=C/c1ccc(Br)cc1	5073534	GQUOJRXBJJSJJI-SFQUDFHCSA-N	338.249	2.775	50	50	EFGA	
CC(C)(C)OC(=O)NN(Cc1ccccc1)C(=O)CBr	169331647	ZESJMRMPDHYYNY-UHFFFAOYSA-N	343.221	2.850	50	50	EFGA	
CCc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1	486481	RNKIQEDUDUBAHC-UHFFFAOYSA-N	329.425	2.646	50	50	EFGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(OC)c1	2491178	WLIXURAPRYNKFS-INIZCTEOSA-N	326.352	2.506	50	50	EFGA	
O=C(NN=C(NC1CCCCC1)NC1CCCCC1)c1ccncc1	96026871	FZVUITBZVBMSJA-UHFFFAOYSA-N	343.475	2.927	50	50	EFGA	
C/C(=N/NC(=O)C(C)(C)C)c1cccc(NC(=O)c2ccnn2C)c1	17071399	VVQRTODYRMKQCC-MTJSOVHGSA-N	341.415	2.559	50	50	EFGA	
NNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1	2568592	NYLNPUBHELIGGT-UHFFFAOYSA-N	345.580	2.878	50	50	EFGA	
CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2)cc1	2553800	QATIIXNYGYSJEK-XSFVSMFZSA-N	339.395	2.954	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1	4927988	SJNHVUPJEYSCRY-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1cccs1	100406060	JANLCICVIXGIPG-ZDUSSCGKSA-N	334.356	2.889	50	50	EFGA	
COc1cccc(OCC(=O)N/N=C2\CCOc3c(C)cccc32)c1	376705	ZIRCOMQAJRGDBQ-LVZFUZTISA-N	340.379	2.685	50	50	EFGA	
Cc1cccc(/N=C2\NC[C@H](CI)S2)n1	333715	YLEYSEPHAJLDET-QMMMGPOBSA-N	333.198	2.518	50	50	EFGA	
C[C@H](NC(=O)NNC(=O)Cc1ccncc1)c1ccc2ccccc2c1	176149889	IPUXLNZOELKMRM-AWEZNQCLSA-N	348.406	2.869	50	50	EFGA	
CN1CC=C2[C@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N	19828078	PJKGAOPDWIODDM-YOEHRIQHSA-N	349.825	2.695	50	50	EFGA	
CC(=O)O[C@H]1[C@H](OC(C)=O)C=CO[C@@H]1CO[Si](C)(C)C(C)(C)C	169744766	HSYXDFIWVSUKFT-KFWWJZLASA-N	344.480	2.784	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1	4102688	FPTLOLQFVKCXGF-MOPGFXCFSA-N	343.434	2.820	50	50	EFGA	
O=C(N/N=C1\C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1nnc(O)c2ccccc12	1875254068	INPXSUSWMXBGGW-WLXGWMSGSA-N	336.395	2.877	50	50	EFGA	
Cc1cccc(/C=N/NC(=O)c2nn(C)c(C)c2Br)c1	355724	YCGMIJHJEKLVOW-LZYBPNLTSA-N	335.205	2.563	50	50	EFGA	
O=C(Nc1cc(Cl)ccc1Cl)c1ccc(B(O)O)c(Cl)c1	169744340	KCUSLFCYAXJIBF-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
COc1ccc(/C(C)=N/NC(=O)Cc2cccc([N+](=O)[O-])c2)cc1	252489789	KALAFTABHHCBPB-LDADJPATSA-N	327.340	2.686	50	50	EFGA	
O=C(N/N=C/c1cccnc1)c1cc(-c2ccc(Cl)s2)n[nH]1	13115017	GMCGFNQTPBLQEE-CAOOACKPSA-N	331.788	2.951	50	50	EFGA	
O=C(NNc1nc(-c2ccncc2)no1)[C@H]1CCCC2(CCC2)C1	1875292589	NCSXYYXEUPAMIJ-ZDUSSCGKSA-N	327.388	2.935	50	50	EFGA	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1ccccc1C	4416385	WXFLDYSRQHBUCE-RCCKNPSSSA-N	339.395	2.895	50	50	EFGA	
COCCC1(CN(C(=O)CCl)c2ccn(C)n2)CCCCC1	1875382331	YHOSBRULLBIMOH-UHFFFAOYSA-N	327.856	2.979	50	50	EFGA	
Cc1sc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1[N+](=O)[O-]	43745	RMIWVMLKJYKCRR-CYBMUJFWSA-N	331.353	2.780	50	50	EFGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1	182682	AZKQHWXNQRGCQW-MRXNPFEDSA-N	345.358	2.755	50	50	EFGA	
CC(=O)C1=C(C)NC(SCC(=O)O)=C(C#N)[C@@H]1c1ccccc1	282861	WPTCKFOSWCAVJU-INIZCTEOSA-N	328.393	2.789	50	50	EFGA	
CSc1nnc(CCCNC(=O)[C@H](C)Cl)n1C1CCCC1	1875363780	AANGFOJWGUFEJX-JTQLQIEISA-N	330.885	2.791	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1	1875377604	IFFUXVORZXMZHS-XCBNKYQSSA-N	332.713	2.656	50	50	EFGA	
C/C=C(\C)N(C(C)=O)N(C(C)=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4582777	BVPQATOKYQCRHM-WEVVVXLNSA-N	336.304	2.543	50	50	EFGA	
O=C(CC1CCCCC1)NNC(=S)Nc1ccc2c(c1)OCCO2	6402633	LDWALYNARSDQLO-UHFFFAOYSA-N	349.456	2.746	50	50	EFGA	
N#Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	444779	PIQHPFVVWFWCRZ-VXLYETTFSA-N	336.376	2.942	50	50	EFGA	
C=CCCCCCCCCC(=O)NNC(=S)NC[C@H]1CCCO1	6645090	WWNCHKZETFPXNI-OAHLLOKOSA-N	341.521	2.968	50	50	EFGA	
CC(C)CNC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2	8681009	UEVJINGODJMHNY-SNVBAGLBSA-N	325.503	2.638	50	50	EFGA	
O=C(NCC(F)(F)F)NNC(=O)c1ccc(-c2ccc(F)cc2)o1	124666167	MGBJRJGJQFPPSR-UHFFFAOYSA-N	345.252	2.592	50	50	EFGA	
Cn1ccc(-c2noc([C@]3(c4ccccc4)C[C@H]3Br)n2)n1	1875279171	ZBPSUIKPXYTKAJ-DOMZBBRYSA-N	345.200	2.923	50	50	EFGA	
COc1ccc(/C=N\NC(=O)CNc2ccccc2C)c(OC)c1	16671049	FZXXNMWMWMFHAO-JAIQZWGSSA-N	327.384	2.574	50	50	EFGA	
CC[C@H]1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	317730843	FVTKGSGBTUJEFT-NWDGAFQWSA-N	349.449	2.592	50	50	EFGA	
COc1cc(/C=N\NC(=O)Cc2cccc3c2CCCC3)ccc1O	43761202	QVHOGQYSOAUFRQ-BKUYFWCQSA-N	338.407	2.972	50	50	EFGA	
COc1ccc(C)cc1NC(=O)NNC(=S)NC1CCCCC1	17070763	QCTALKOSQYDPLF-UHFFFAOYSA-N	336.461	2.837	50	50	EFGA	
Cc1cccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1C	565473	LNSVYJNCIHQQEJ-UDWIEESQSA-N	325.412	2.899	50	50	EFGA	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	4948953	XJNKUXYLJYFSCC-YBFXNURJSA-N	340.339	2.707	50	50	EFGA	
COC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)c1ccc(Cl)cc1Cl	1393257	BBJDKANFEGVUPF-KWQFWETISA-N	336.602	2.988	50	50	EFGA	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccc3c(c2)OCO3)n[nH]1	8683436	SEXIGMJOUWEOQF-VXLYETTFSA-N	334.335	2.569	50	50	EFGA	
O=C(N/N=C/c1ccco1)C(=O)Nc1cc(Cl)ccc1Cl	2565209	MTOLANSJRCKTAF-FRKPEAEDSA-N	326.139	2.675	50	50	EFGA	
COc1cccc(C(=O)NNC(=O)c2ccccc2Br)c1	298819	HSFGWSLCLKWCPX-UHFFFAOYSA-N	349.184	2.533	50	50	EFGA	
CC(C)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccsc3)[C@@H]2C1	4634846	KTAHSMRHFRKCBY-IAGOWNOFSA-N	349.463	2.882	50	50	EFGA	
O=C(N/N=C/c1cccs1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	448596	DPHRWPSMQBGDJW-KECVIQKOSA-N	347.827	2.905	50	50	EFGA	
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccccn1	5010244	CHKQDHWITYZYQX-RQZCQDPDSA-N	334.173	2.704	50	50	EFGA	
C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccco1	1453462	PDVPTRFSCXKPCR-VCBXAZPMSA-N	337.173	2.960	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1O	4815506	AAAQVQXBBUMBQN-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
O=C(N/N=C\c1ccc(Br)cc1)c1n[nH]c2c1CCCC2	33293264	SLFDXBVSQBPXOA-MFOYZWKCSA-N	347.216	2.815	50	50	EFGA	
CCCC(=NNC(=O)c1nc2nc(C)cc(C)n2n1)c1ccccc1	245327313	OEEUEONJPWXQAC-UHFFFAOYSA-N	336.399	2.675	50	50	EFGA	
C[C@H](Cl)C(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1	1875364967	ZUKAUIZMNABXGR-VIFPVBQESA-N	335.757	2.813	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)COc2cccc(C)c2)ccc1O	584730	INSYGMJPQUHTTC-YBFXNURJSA-N	328.368	2.628	50	50	EFGA	
CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccccc1C#N	459569	BDSUOOHZQDPPDZ-SRZZPIQSSA-N	338.367	2.538	50	50	EFGA	
C/C(=N\NC(=O)c1n[nH]c2c1CCC2)c1ccc(Br)cc1	5296533	SCEDALDBQACKAF-RQZCQDPDSA-N	347.216	2.815	50	50	EFGA	
O=C(N[C@H](C(Cl)Cl)N1CCOCC1)c1ccc(Cl)cc1	4831559	NJKVJXRSMWZPEN-LBPRGKRZSA-N	337.634	2.532	50	50	EFGA	
CCCNNC(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1	725325629	MHZUZIALEUTHIU-JLHYYAGUSA-N	337.423	2.661	50	50	EFGA	
COc1ccc(C(=O)N[C@@H](O)C(Cl)(Cl)[C@@H](C)Cl)cc1	374219	OXPMRRJSHGGVKA-HQJQHLMTSA-N	326.607	2.545	50	50	EFGA	
CC(C)(C)OC(=O)NC[C@H]1CCC2(CCC2)[C@@H]1NC(=O)CCl	1875369905	PONISFCDKBGDCI-DGCLKSJQSA-N	330.856	2.815	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	4372894	XASHRNJGIMGYGK-FHXOWUIVSA-N	327.340	2.821	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C1CCCC2=O	74970	IEZYRBSIUKLLAL-INIZCTEOSA-N	342.830	2.917	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1	510863	FOKVYMMNDULHQL-XDHOZWIPSA-N	328.368	2.623	50	50	EFGA	
CCOc1ccc(CC(=O)N/N=C/c2cccnc2)cc1OCC	15934464	QIFDPOGJWHAAIY-DEDYPNTBSA-N	327.384	2.572	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1	3081873	MWASAKWCIHTEKF-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
CC(C)(C)OC(=O)N1C(=O)OC(=O)[C@@H]1Cc1c[nH]c2ccccc12	60272286	WSFZLNNHQNYZNF-ZDUSSCGKSA-N	330.340	2.993	50	50	EFGA	
COc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)c(OC)c1	16667737	PUFBHGZBWGVLNK-JAIQZWGSSA-N	327.384	2.574	50	50	EFGA	
CCOC(=O)N/N=C/c1cc(OCC)c(O)cc1Br	6944132	MHOKUXTVTUJCFB-VGOFMYFVSA-N	331.166	2.633	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])s1	370978	NHZNCBVXOIJGAD-UJFYRASASA-N	333.369	2.882	50	50	EFGA	
C[C@@H](NC(=O)/C(C#N)=C/c1cnn(CCCl)c1)c1ccccc1	206205997	WNLFZHHUPJIPBQ-BPKVKKHESA-N	328.803	2.906	50	50	EFGA	
CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	252341	JRPJOMSCJARLSG-YAJBTMAUSA-N	326.356	2.936	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1OCC	96533	YKTOYPGUSDUNON-MRXNPFEDSA-N	328.368	2.730	50	50	EFGA	
CCCc1ccc(OCC(=O)NNC(=O)c2ccccc2C)cc1	136998	VGIYJCDFNOMNGG-UHFFFAOYSA-N	326.396	2.788	50	50	EFGA	
COc1cc(Cl)ccc1NC(=O)NNC(=O)c1ccccc1O	2143563	IXGJPONIHKTZFB-UHFFFAOYSA-N	335.747	2.521	50	50	EFGA	
COc1cccc2c1OCC/C2=N\NC(=O)COc1ccc(C)cc1	376709	OWLWYEQYQPEBIX-CAPFRKAQSA-N	340.379	2.685	50	50	EFGA	
CCOC(=O)c1sc(NC(=O)[C@@H]2CCOC2)c(SC#N)c1C	888099820	SLTMUSVWBOTZBR-SECBINFHSA-N	340.426	2.781	50	50	EFGA	
CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1	566456	USHJCVYMQBWSAU-YBFXNURJSA-N	331.803	2.935	50	50	EFGA	
O=C(CN1CCCCCC1)N/N=C/c1cccc(Br)c1	4990743	XNVZNBHQDBLKHC-GZTJUZNOSA-N	338.249	2.775	50	50	EFGA	
CCc1ccccc1NC(=O)NNS(=O)(=O)c1cc(C)ccc1C	15934219	SKHWYTVLGURQJV-UHFFFAOYSA-N	347.440	2.881	50	50	EFGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccccc2)cc1	299226	SFVIKGWTSKMUFY-UHFFFAOYSA-N	326.396	2.824	50	50	EFGA	
CC(C)Oc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCO3)cc1	32573494	XFPREOXXGPZRMZ-GRSHGNNSSA-N	326.352	2.966	50	50	EFGA	
CC1(C)OB(c2cccc(NC(=O)NCCCCl)c2)OC1(C)C	383829029	ZEPFCCKWHXZCAV-UHFFFAOYSA-N	338.644	2.736	50	50	EFGA	
COc1cc(Cl)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC	470445	OHUKXYKIUXCQQX-AWEZNQCLSA-N	346.774	2.607	50	50	EFGA	
O=C(NNC(=O)C1CCCCC1)c1ccc(OC[C@@H]2CCCO2)cc1	13619686	DBARKTWKEUPYOU-KRWDZBQOSA-N	346.427	2.586	50	50	EFGA	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1	58565	QVLADAOSQGWFHR-CYBMUJFWSA-N	336.750	2.689	50	50	EFGA	
C[C@@H]1CNc2c(C(=O)NNc3ccccc3C(F)(F)F)cnn2C1	1119305854	SEQFYRLHLNPYFY-SECBINFHSA-N	339.321	2.720	50	50	EFGA	
COc1ccc(O)c(/C=N/NC(=O)c2ccccc2Br)c1	262929	LJLGVKILJYBXBN-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
O=C(CSCc1ccccc1)NNC(=S)Nc1ccccc1	5799915	OSDYDFVBXBOHNR-UHFFFAOYSA-N	331.466	2.938	50	50	EFGA	
O=C(NNc1ncnc2ccccc12)c1cc(-c2ccccc2F)[nH]n1	1775970956	LGXJYAAYXGSTHM-UHFFFAOYSA-N	348.341	2.916	50	50	EFGA	
COc1ccc(/C=N/NC(=O)CNc2cccc(Cl)c2)cc1O	5670800	NTMMWUAJVHSDML-DJKKODMXSA-N	333.775	2.616	50	50	EFGA	
N#CC(=CNc1ccc(-n2cnc(Cl)c2Cl)cc1)c1nn[nH]n1	2041576652	WSPULSNAKNKSHR-UHFFFAOYSA-N	347.169	2.669	50	50	EFGA	
COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1OC	9088797	UXAFJMZOQXYMJY-STQMWFEESA-N	332.381	2.636	50	50	EFGA	
O=C(COc1cccc2ccccc12)NNC(=O)c1cccs1	441118	LHJSMTYZGBUFPY-UHFFFAOYSA-N	326.377	2.741	50	50	EFGA	
CC(C)n1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1	67622841	MWDULXIOMTXWHU-LBPRGKRZSA-N	326.404	2.703	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2ccccc2Br)ccc1O	3154300	IUBWPGXPSTUAFH-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
O=C(N/N=C1\C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1nnc(O)c2ccccc12	1875254065	INPXSUSWMXBGGW-ATPJRVJPSA-N	336.395	2.877	50	50	EFGA	
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(O)cc1	5034880	YXOVVHIHXXWXFX-RGVLZGJSSA-N	340.408	2.901	50	50	EFGA	
Cc1ccc2c(c1)/C(=N/NC(=O)c1cc3ccccc3nc1C)C(=O)N2	5730644	HGVRKOROKWPMTI-UHFFFAOYSA-N	344.374	2.938	50	50	EFGA	
COc1cccc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c1	1394342	AGRHVRASCLJRLL-UHFFFAOYSA-N	335.363	2.561	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2	71762	JLWSMMQMSSLJII-CIAFOILYSA-N	346.390	2.948	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(C)s3)[C@@H]2C1	16034420	FAUJHGKEZXHTEO-WBVHZDCISA-N	349.463	2.802	50	50	EFGA	
O=[N+]([O-])c1c(-n2cncn2)nn(-c2ccccc2)c1C(Cl)Cl	617946	MCRWKSFWMIVOKA-UHFFFAOYSA-N	339.142	2.837	50	50	EFGA	
C[C@@H](Cl)C(=O)N(C)CC(=O)NC(c1ccccc1)c1ccccc1	1875375609	FVYCCTWPBFLGOR-CQSZACIVSA-N	344.842	2.978	50	50	EFGA	
O=C(NNc1cc(F)c(F)c(F)c1)c1nn[nH]c1-c1ccccc1	194217937	UFGBBBDZNPXNCZ-UHFFFAOYSA-N	333.273	2.646	50	50	EFGA	
CC(C)N1C(=O)C[C@H](NC(=O)CCl)[C@H]1c1ccc(Cl)c(F)c1	1875377670	KOSVOCHXGYXEMD-SWLSCSKDSA-N	347.217	2.885	50	50	EFGA	
O=S(=O)(NC[C@H](c1ccccc1)N1CCCC1)C1(CCl)CC1	1776006554	QYZYJKNBCOSKFA-OAHLLOKOSA-N	342.892	2.514	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3Cl)[C@@H]2C1	5817842	JXBPZGRQWCDKGJ-NVXWUHKLSA-N	349.825	2.695	50	50	EFGA	
C=CCNC(=S)NNC(=O)c1ccccc1OCc1ccccc1	2064521	LWVREYMOGLVARH-UHFFFAOYSA-N	341.436	2.561	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1	229368	KODBPDSXTNSZQP-DEDYPNTBSA-N	341.459	2.956	50	50	EFGA	
Cc1cccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1	4261320	DTAQTFINOGVIDY-CIAFOILYSA-N	347.374	2.943	50	50	EFGA	
C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1	16667925	HICLKSXHKUTQMF-UYRXBGFRSA-N	326.356	2.856	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(=O)O)cc3)[nH]n2)cc1	5317581	POGPPLUGSOOQAA-RGVLZGJSSA-N	348.362	2.847	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@H]2C1	3903301	WMDPBNBNNOIBDP-IRXDYDNUSA-N	349.463	2.883	50	50	EFGA	
O=C(CCNC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	6864205	ZVWBGQBOHVVMEB-UHFFFAOYSA-N	344.323	2.817	50	50	EFGA	
Cc1cc(C)cc(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1	6571459	HDYJDTILMSIQRM-UHFFFAOYSA-N	343.408	2.664	50	50	EFGA	
C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@H](C)Cl	1875363680	ROAIPSQPFYSWSH-STQMWFEESA-N	337.851	2.747	50	50	EFGA	
COc1ccc(CC(=O)NNc2nc3ccccc3s2)cc1OC	483442	WBSKCFHGDFXMFJ-UHFFFAOYSA-N	343.408	2.999	50	50	EFGA	
Cc1cccc(/N=C2\NC[C@@H](CI)S2)n1	333713	YLEYSEPHAJLDET-MRVPVSSYSA-N	333.198	2.518	50	50	EFGA	
CCCCNC(=O)NNC(=O)CSCc1c(F)cccc1Cl	17072318	GUSVNZLUNXGWNP-UHFFFAOYSA-N	347.843	2.843	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3C=CCCC3)[C@@H]2C1	169620139	BITFYVBSUMUQPK-ZTFGCOKTSA-N	333.439	2.621	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2)C1	1875374188	DYSQGTTXFNZLDT-NEPJUHHUSA-N	341.814	2.813	50	50	EFGA	
Cc1ccccc1-n1cnc(Cl)c1/C=N/NC(=O)c1ccncc1	1857799626	OVPBWGTWXYTIKO-UFFVCSGVSA-N	339.786	2.993	50	50	EFGA	
Cn1c(SCC(=O)N/N=C/c2cccc(F)c2)nc2ccccc21	56137	LVGWREMONMUYLL-VXLYETTFSA-N	342.399	2.955	50	50	EFGA	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(F)c1	60177	XKBUWRODOQCXNY-GIJQJNRQSA-N	328.372	2.944	50	50	EFGA	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)c1	4283094	NHLNGODZSOQPGG-VXLYETTFSA-N	345.786	2.746	50	50	EFGA	
COc1cc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc(OC)c1	43761355	FKODXXJSMGUTNT-SRZZPIQSSA-N	337.379	2.878	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)c1cc(-c2cccs2)n[nH]1	2445896	OVWDOILZEFYJFU-LICLKQGHSA-N	326.381	2.911	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	4366579	JJWCMJXAGORGMN-HWQJWEFDSA-N	343.339	2.521	50	50	EFGA	
CC(C)n1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cn1	67622843	MWDULXIOMTXWHU-GFCCVEGCSA-N	326.404	2.703	50	50	EFGA	
C[C@@]12CC[C@@H]3C[C@]1(C(=O)NNc1ccc([N+](=O)[O-])cc1)OC[C@]32C	245246379	JXPWGQRXSSSLGE-KLWIRTJPSA-N	331.372	2.633	50	50	EFGA	
COc1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC	281016	YJCZZJCTOVOUEU-OAHLLOKOSA-N	326.352	2.519	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(C)ccc2C)cc1	2893192	KFTDWXUZYSFYLG-UDWIEESQSA-N	339.395	2.791	50	50	EFGA	
CC(C)NC(=O)NNC(=O)c1cccc(OCc2ccc(F)cc2)c1	4109992	LBXPNPKEIIDTQH-UHFFFAOYSA-N	345.374	2.757	50	50	EFGA	
CN1CC=C2[C@@H](C1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)C2(C#N)C#N	19828075	PJKGAOPDWIODDM-PBHICJAKSA-N	349.825	2.695	50	50	EFGA	
COc1ccccc1C(=O)NNC(=O)c1sccc1-n1cccc1	1394302	GUGDQMJTVLAWSF-UHFFFAOYSA-N	341.392	2.622	50	50	EFGA	
N#Cc1cc(O)cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)c1	799752966	XWUFVESKEZIFFM-UHFFFAOYSA-N	346.268	2.911	50	50	EFGA	
Cc1ccc(NCC(=O)N/N=C\c2ccc(Br)o2)cc1	4467709	PYBPWXIKMOTXAT-IUXPMGMMSA-N	336.189	2.913	50	50	EFGA	
COC(=O)c1ccc(OCC(=O)NN=Cc2ccccc2Cl)cc1	252679854	SDRWETJFTYIGTK-UHFFFAOYSA-N	346.770	2.656	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccn3)c2[C@@H]1c1cccc(F)c1	91219	MPOYZPAHBAUJHP-CQSZACIVSA-N	333.326	2.829	50	50	EFGA	
CC[C@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	17071376	ZIWONULEQDTQIJ-AWEZNQCLSA-N	341.367	2.762	50	50	EFGA	
COC(=O)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	6785916	IDVJHDADVUIMHJ-UDWIEESQSA-N	348.362	2.627	50	50	EFGA	
Cc1ccccc1NC(=O)NN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4796059	NYNIGTDIZYEXCZ-UHFFFAOYSA-N	345.315	2.984	50	50	EFGA	
C[C@H](Cl)C(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F	1875363640	OUIVXZJIMBNBKK-UWVGGRQHSA-N	339.741	2.531	50	50	EFGA	
COc1cc(Cl)ccc1NC(=O)NNC(=O)c1ccc(O)cc1	3086037	JBZKULCVYSPJPL-UHFFFAOYSA-N	335.747	2.521	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3)[C@H]2C1	13512641	OMEVRFWLDALZEV-DLBZAZTESA-N	349.825	2.695	50	50	EFGA	
COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1OC	9088798	UXAFJMZOQXYMJY-OLZOCXBDSA-N	332.381	2.636	50	50	EFGA	
O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccccc1	4283156	DGAHMBPMWNUEAK-LICLKQGHSA-N	346.184	2.538	50	50	EFGA	
COc1ccccc1CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	299889	XEQGPZWORURMNN-UHFFFAOYSA-N	340.423	2.996	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1O	5297147	FHVVCGLMJRMYSB-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
O=C(N/N=C/C(Br)=C/c1ccccc1)c1cnccn1	12560989	VZQQEUNBFBIFGK-VQLDENSZSA-N	331.173	2.628	50	50	EFGA	
C=CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)cc1	4355360	QADCTENDEHEAFU-DEDYPNTBSA-N	337.379	2.649	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1COC(C)=O	371011	TXOJKNHGDGYPOO-KEBDBYFISA-N	344.342	2.661	50	50	EFGA	
COc1ccc(-n2c(C)cc(CNC(=O)CCl)c2C)cc1OC	1875374524	UZAPRIHOEKNIJE-UHFFFAOYSA-N	336.819	2.966	50	50	EFGA	
C[C@H](Cl)C(=O)Nc1ccc(=O)n(Cc2ccc(F)cc2F)c1	1875380178	HOXIVRXEABPONL-VIFPVBQESA-N	326.730	2.741	50	50	EFGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(OC)c1	2491180	WLIXURAPRYNKFS-MRXNPFEDSA-N	326.352	2.506	50	50	EFGA	
C[C@@H](Br)c1nc(N)nc(N2CCCc3ccccc32)n1	1431539	LTTHZXWPAXRGQE-SECBINFHSA-N	334.221	2.994	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)o1	6382661	OMKOTRAVIRAKMR-RQZCQDPDSA-N	339.311	2.650	50	50	EFGA	
Cc1ccc(C(=O)NNC(=O)[C@@H]2Cc3c(ccc4ccccc34)O2)cc1	1394580	YPUXAJCUYCVLAJ-IBGZPJMESA-N	346.386	2.913	50	50	EFGA	
C[C@H](Cl)C(=O)N1CC[C@](c2nc(C3CC3)no2)(C(F)(F)F)C1	1875376008	LPLZBMWJAOEOAS-MADCSZMMSA-N	337.729	2.607	50	50	EFGA	
N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@H]1c1ccc2ccccc2c1	100250673	LLCHTTWOCWRAQW-QGZVFWFLSA-N	346.342	2.503	50	50	EFGA	biogenic,in-vitro
Cc1ccsc1CN(C(=O)CCl)[C@H]1CCN(C(C)C)C1=O	1875382265	WMNQRPQMDMJRBP-LBPRGKRZSA-N	328.865	2.633	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)s1	232875	UOWLNHYDAXHIQH-RQZCQDPDSA-N	326.381	2.916	50	50	EFGA	
O=C(Cc1cccs1)NNC(=S)Nc1ccc(F)cc1F	609919	MDGRDRCAHKMKPE-UHFFFAOYSA-N	327.381	2.587	50	50	EFGA	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@@]1(C)CC1(Cl)Cl	2853712	WTABUUPSWCPMCZ-CYBMUJFWSA-N	346.214	2.740	50	50	EFGA	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1cc2ccccc2s1	137197095	MKWFZXVKVGGEJP-UHFFFAOYSA-N	336.376	2.895	50	50	EFGA	
Cc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c1	371044	BVEQXTMFGCNZMZ-FHXOWUIVSA-N	327.340	2.821	50	50	EFGA	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C#N	253500244	ZYVHLUFQSVBNFH-HHBCTJDESA-N	329.440	2.744	50	50	EFGA	biogenic
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1Br	73132	CXULACQOVZJJFC-RQZCQDPDSA-N	349.232	2.872	50	50	EFGA	
CC[C@@H](C(=O)NNC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1	17071375	ZIWONULEQDTQIJ-CQSZACIVSA-N	341.367	2.762	50	50	EFGA	
NC(=O)N/N=C(\c1ccccc1)C(F)(F)C(F)(F)OC(F)(F)F	4480846	PPHGTCYBWSLWEC-IFRROFPPSA-N	347.190	2.824	50	50	EFGA	
O=C1C[C@@]2(C[C@@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1	4698186	LPSVVRZVYWYOIT-CABZTGNLSA-N	342.580	2.872	50	50	EFGA	
N#C/C(=C\c1cc(Br)ccc1Br)C(N)=O	1340581291	WIDFTBAIEYOPDE-XVNBXDOJSA-N	329.979	2.604	50	50	EFGA	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@H]1COc2ccccc2O1	59073	BRWSXLDWYQUPPH-LEKRSAHOSA-N	346.770	2.639	50	50	EFGA	
C=CCOc1cccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)c1	2055531	UCMNYQGAYAOBHY-XSFVSMFZSA-N	343.427	2.541	50	50	EFGA	
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc3c(c1)OCO3)C(C#N)=C(N)O2	5095391	ITGFPSSSUBFKPN-ZDUSSCGKSA-N	338.367	2.654	50	50	EFGA	
CC(C)(C)OC(=O)/C(C#N)=C1/C=CC(B2OC(C)(C)C(C)(C)O2)=CN1	170006720	LWMLRHYQGHSAHN-YPKPFQOOSA-N	344.220	2.780	50	50	EFGA	
COc1cccc([C@@H](Br)[C@H](Br)C(=O)O)c1	1602063	WBRLBWOFKFWFIM-BDAKNGLRSA-N	337.995	2.979	50	50	EFGA	
N#CC1=C(N)[C@](C#N)(c2ccc([N+](=O)[O-])cc2)[C@H](C#N)[C@@H]2CCCC=C12	19827349	FZNFUVUESUJZPJ-SZVBFZGTSA-N	345.362	2.972	50	50	EFGA	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	261402	QRXXWMFRBZCAST-RQZCQDPDSA-N	333.731	2.777	50	50	EFGA	
CC1=N[C@@H](C(=O)I)Cc2c1[nH]c1ccccc21	953064954	RTJVREUWKHJTHJ-LLVKDONJSA-N	338.148	2.863	50	50	EFGA	
Cc1nn(C)c(C(=O)N/N=C/c2c(F)cccc2Cl)c1Cl	371101	ZNZZGJHVXPXWGW-UBKPWBPPSA-N	329.162	2.938	50	50	EFGA	
CC[n+]1ccc([C@@H](O)P(=O)(c2ccccc2)c2ccccc2)cc1	287865	FVVQHSWKURCMJW-FQEVSTJZSA-N	338.367	2.999	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(O)c1	260501	VQZMBSRYJVZAMG-XDHOZWIPSA-N	327.384	2.708	50	50	EFGA	
N#C/C(=C\c1c(Cl)cccc1Cl)c1nn(CCO)c(N)c1C#N	4380173	ATTAXDNVYFEWHB-RMKNXTFCSA-N	348.193	2.700	50	50	EFGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(Cl)c1	4296093	IFCUTAMNCVKTOH-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(OC)c1OC	262933	QUGCFRTWLWBARF-VXLYETTFSA-N	332.331	2.615	50	50	EFGA	
O=C(N/N=C/c1cccs1)C(=O)Nc1cccc(C(F)(F)F)c1	2892339	XDLUYIYGSDXMIT-QGMBQPNBSA-N	341.314	2.856	50	50	EFGA	
Cc1cccc(O[C@@H](C)C(=O)N/N=C/c2ccc3c(c2)OCO3)c1	117830	PQFYZDDWOCBJBU-UZPSYVQNSA-N	326.352	2.641	50	50	EFGA	
C[C@@H](Cl)C(=O)Nc1cc(F)c(OC(F)F)cc1-n1cncn1	1875377607	IGSQWSLETIQCIG-ZCFIWIBFSA-N	334.685	2.574	50	50	EFGA	
Cc1cc(O)cc(O)c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1	435195	FMKUBSFGSJTHOP-VXLYETTFSA-N	336.351	2.560	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@@H](c2ccsc2)C2=C1CC(C)(C)CC2=O	72401	WKEKXOFWVFGEEK-OAHLLOKOSA-N	342.468	2.961	50	50	EFGA	
CN1CCN(c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)CC1	4453666	UNLBDXAOSVWACL-OWBHPGMISA-N	333.395	2.972	50	50	EFGA	
Cc1ccc2c(c1)[C@H](NC(=O)c1c(C)nn(CCCl)c1C)CO2	156368785	LCHJXXGOPQBDLM-CQSZACIVSA-N	333.819	2.911	50	50	EFGA	
COc1cccc(C=NNC(=O)COc2c(C)cccc2C)c1OC	252320594	CIVBAHWNSLFALT-UHFFFAOYSA-N	342.395	2.850	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C/c1ccccc1C(F)(F)F	381559	OJSXPNWOHUEMAZ-AWQFTUOYSA-N	347.300	2.600	50	50	EFGA	
O=C(N/N=C/c1ccc(OC(F)F)cc1)[C@H]1COc2ccccc2O1	5739315	USPSDMHMUIDITG-UPWAIKHBSA-N	348.305	2.578	50	50	EFGA	
O=C(NNC(=O)c1ccc(Br)s1)NC1CCCCC1	1002144	BWKYYHXPTARWBR-UHFFFAOYSA-N	346.250	2.787	50	50	EFGA	
O=C1C[C@]2(C[C@@H](Cl)N=N2)C(=O)N1c1ccc(Br)cc1	4698185	LPSVVRZVYWYOIT-JOYOIKCWSA-N	342.580	2.872	50	50	EFGA	
CCn1cc([C@@H](O)CN(Cc2ccccc2)C(=O)[C@H](C)Cl)cn1	1875375604	FUDMIQHFFZUUFA-BBRMVZONSA-N	335.835	2.593	50	50	EFGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)c1	536119	UIHPZBZMBQRCPB-FVUPAENESA-N	336.395	2.831	50	50	EFGA	
CCOC(=O)C(CBr)(C[Si](C)(C)C)C(=O)OCC	169828684	JXCRUKXHRNQEDG-UHFFFAOYSA-N	339.302	2.832	50	50	EFGA	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(CC)cc1	2553419	UHGUTCUTEQKTCE-DEDYPNTBSA-N	339.395	2.737	50	50	EFGA	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cccc2cccnc12	252489683	JWOFRIVYFQOGDI-UDWIEESQSA-N	334.335	2.836	50	50	EFGA	
Cc1csc(NC(=O)CCC(=O)OC(CCl)CCl)n1	2027900	OTENJZYCUOPUSM-UHFFFAOYSA-N	325.217	2.560	50	50	EFGA	
CCc1ccccc1NC(=O)NNC(=O)c1cc(OC)cc(OC)c1	17071658	KAQCDRBLEZAHNN-UHFFFAOYSA-N	343.383	2.733	50	50	EFGA	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc([N+](=O)[O-])c1	17071195	SUZANBUJOIFNPF-HUUCEWRRSA-N	340.339	2.551	50	50	EFGA	
COc1c(C)cnc(Cn2nnc(CBr)c2C)c1C	725263927	VKHNUEUUOLHUEV-UHFFFAOYSA-N	325.210	2.550	50	50	EFGA	
O=C(Cc1ccccc1)N/N=C/c1cc(Br)ccc1O	259310	DYXCLEWUWFSPNX-LICLKQGHSA-N	333.185	2.848	50	50	EFGA	
CCn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cn1	355626	AGIILAPNBLWXTR-UBKPWBPPSA-N	341.198	2.739	50	50	EFGA	
CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)[C@@H](C)Cl)cc1	1875364270	MWPBPRXZQQIZQH-OLZOCXBDSA-N	340.851	2.786	50	50	EFGA	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)c1	289079	GMWDYOLUWOUASC-LZYBPNLTSA-N	333.369	2.802	50	50	EFGA	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1	288996	JLRSANOVAAJOLA-QIPRVMPFSA-N	327.428	2.735	50	50	EFGA	
COc1ccccc1OCC(=O)N/N=C1\C(O)=Nc2ccc(C)cc21	6684539	WYAWRYQBWRNTSZ-UHFFFAOYSA-N	339.351	2.505	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1	44616	OMEVRFWLDALZEV-SJORKVTESA-N	349.825	2.695	50	50	EFGA	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)c1	4261229	VHQIQYWDWFEMJE-DEDYPNTBSA-N	337.379	2.649	50	50	EFGA	
CCCCNC(=S)NNC(=O)c1csc2c1CC[C@H](C)C2	13470862	GEZVNLZOJRJPEQ-JTQLQIEISA-N	325.503	2.782	50	50	EFGA	
NNC(=O)c1nn(-c2cc(C(F)(F)F)ccc2Cl)c2c1CCC2	825644636	AOBMTBKGCIAEJX-UHFFFAOYSA-N	344.724	2.637	50	50	EFGA	
O=C(Nc1ccc2ncn(-c3cccc(O)c3)c(=O)c2c1)[C@H](F)Cl	2325898216	XFPVPTMFHHPFRN-AWEZNQCLSA-N	347.733	2.564	50	50	EFGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccncc1	102295143	QRIJZBNGAZHDIZ-KGENOOAVSA-N	332.448	2.789	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1	5095062	YIHOMAXYJIKXIL-IRXDYDNUSA-N	349.825	2.695	50	50	EFGA	
COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccc(N)cc2)[nH]n1	5402834	XGUXUHZOAJIKTK-CIAFOILYSA-N	349.394	2.822	50	50	EFGA	
COc1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC	281015	YJCZZJCTOVOUEU-HNNXBMFYSA-N	326.352	2.519	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2C)cc1	2893186	QGNOUEGUJDWCKV-UDWIEESQSA-N	339.395	2.791	50	50	EFGA	
Cc1n[nH]c2c1[C@H](c1cc(Cl)cc(Cl)c1O)C(C#N)=C(N)O2	8903152	XTXJJTRHBGRMLF-LLVKDONJSA-N	337.166	2.949	50	50	EFGA	
CCn1ncc(/C=N/NC(=O)c2cccc(Br)c2)c1C	355884	WIHIXDQGKQHIKZ-LZYBPNLTSA-N	335.205	2.738	50	50	EFGA	
COc1ccc(OC)c(NC(=O)NNC(=O)c2ccc(Cl)cc2)c1	1754282	HGAMNGQSXBDYDL-UHFFFAOYSA-N	349.774	2.824	50	50	EFGA	
C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N	253499554	JHNKMSMCNITKIH-CARQVRACSA-N	327.424	2.952	50	50	EFGA	biogenic
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	245226659	HHSZRCQDGVWDNM-FSEVPXTBSA-N	345.355	2.600	50	50	EFGA	
N#CCCn1cc(/C=N/NC(=O)c2ccncc2)c(-c2ccccc2)n1	5050619	OYKHSALLRNLHFB-LPYMAVHISA-N	344.378	2.623	50	50	EFGA	
NNC(=O)c1cc(-c2ccco2)nc2ccc(Br)cc12	272542	JFIDKTVJOXMBQF-UHFFFAOYSA-N	332.157	2.861	50	50	EFGA	
O=C(N/N=C/c1cccnc1)c1cc(-c2ccccc2Cl)n[nH]1	9011856	KIEJZCAHUYANBP-VXLYETTFSA-N	325.759	2.889	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)cc1[N+](=O)[O-]	226346274	OUKPYGIDMBTLKE-WYDVFFIZSA-N	331.372	2.880	50	50	EFGA	
O=C(N/N=C/c1ccc(Br)cc1)c1cn2c(n1)CCCC2	43761234	FVMUMBOMGURPBK-RQZCQDPDSA-N	347.216	2.746	50	50	EFGA	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	239339	CUUGFJQFXVGJPV-VXLYETTFSA-N	348.786	2.886	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCC[C@H](CNC(=O)Nc2ccc(F)cc2)C1	1875374189	DYSQGTTXFNZLDT-NWDGAFQWSA-N	341.814	2.813	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)c1	54081	AYEPWMBNXVVPGF-RGVLZGJSSA-N	338.342	2.988	50	50	EFGA	
C[C@H](NC(=O)/C(C#N)=C/c1cnn(CCCl)c1)c1ccccc1	206205971	WNLFZHHUPJIPBQ-WFSQQTBHSA-N	328.803	2.906	50	50	EFGA	
COc1ccc(CC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	299164	ZCSLVKCEDLGNKV-UHFFFAOYSA-N	340.423	2.996	50	50	EFGA	
Cc1cccc(/C=N/NC(=O)c2cncc(Br)c2)c1O	257498	ZGVGCSJTGIWAMZ-REZTVBANSA-N	334.173	2.622	50	50	EFGA	
COc1ccc(O)c(/C=N/NC(=O)COc2ccccc2Cl)c1	2566896	OWQPIHMODBHGSA-GIJQJNRQSA-N	334.759	2.583	50	50	EFGA	
Cc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1Cl)C(=O)N2C	58420	XSDZVGUDMYLYDD-CYVLTUHYSA-N	327.771	2.759	50	50	EFGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc(Br)c1	520883	SMWDVUYGCMNXNY-RQZCQDPDSA-N	349.232	2.872	50	50	EFGA	
O=S(=O)(Cc1ccccc1)C(Br)Br	1702038	JFXRNMIMRDDPLD-UHFFFAOYSA-N	328.025	2.675	50	50	EFGA	
COCc1ccccc1CN(C(=O)CCl)[C@H](C)[C@@H]1CCCO1	1875382650	KYOPZKSSXAUIJW-CJNGLKHVSA-N	325.836	2.968	50	50	EFGA	
C[C@@H](Cl)C(=O)N1CCN(Cc2ncc(-c3ccccc3)o2)CC1	1875364837	VKGXGEDRSIFCGB-CYBMUJFWSA-N	333.819	2.613	50	50	EFGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccnc1	186702	LSAZXRSLIXMMQW-RQZCQDPDSA-N	328.422	2.934	50	50	EFGA	
COCc1n[nH]c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	5044920	OWFZDMNTXFSBGZ-NSHDSACASA-N	334.738	2.567	50	50	EFGA	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccccc1Cl	194015	ULPGJNDYHFETTA-LBPRGKRZSA-N	329.183	2.750	50	50	EFGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc2ccccc2c1O	237604	WIYZCUJTNSCFQR-RQZCQDPDSA-N	325.280	2.811	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1	4637482	YIHOMAXYJIKXIL-SJORKVTESA-N	349.825	2.695	50	50	EFGA	
Cc1ccc(C(=O)NNC(=O)c2sccc2-n2cccc2)cc1	5745471	FQXJZIZSRJKODN-UHFFFAOYSA-N	325.393	2.922	50	50	EFGA	
C/C(=N\NC(=O)c1cc(C(C)(C)C)n[nH]1)c1ccc([N+](=O)[O-])cc1	5033947	YYFHFMDRXPUGEA-LICLKQGHSA-N	329.360	2.769	50	50	EFGA	
N=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc[nH]1	1385314	QSAAOPVFJUIJDZ-UHFFFAOYSA-N	327.171	2.612	50	50	EFGA	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccn2)[nH]n1	9108806	MWMSYXWHFMDOTJ-UDWIEESQSA-N	335.367	2.634	50	50	EFGA	
O=C1[C@H](Cl)O[C@](O)(Cl)[C@]2(Cl)C(Cl)=C(Cl)[C@]12Cl	25723973	BZGQLKJNISWUDN-BWBBJGPYSA-N	346.808	2.694	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1Cl	291113	BQJZVWBLEGWKSF-ARFNDINWSA-N	346.770	2.639	50	50	EFGA	
O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	2892335	NMQFCTJMMKNODP-KEBDBYFISA-N	335.285	2.794	50	50	EFGA	
C/C(=N\NC(=O)[C@H](C)Sc1nc(C)cc(C)n1)c1ccccc1O	3663937	XHNWSESAYIPJAO-DZUMZMOTSA-N	344.440	2.820	50	50	EFGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=O)cc1	434824	JMKFQGYSZNAANR-RGVLZGJSSA-N	335.367	2.550	50	50	EFGA	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)n[nH]1	993699	DARFYFIIRZNOKT-WOJGMQOQSA-N	335.323	2.749	50	50	EFGA	
O=C(/C=C/c1cnc2ccccc2n1)NNc1cccc([N+](=O)[O-])c1	151602856	QOYHXNUBUBTAGZ-CMDGGOBGSA-N	335.323	2.695	50	50	EFGA	
C[C@@]12CC3CC(C(=O)NNC(=O)c4ccncc4)(C1)C[C@](C)(C3)C2	13646835	ZTSHSSNDOHFIHR-DFDFAMMDSA-N	327.428	2.839	50	50	EFGA	
O=C(CCl)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	1875377640	JNYYRWLMCGFTFV-UHFFFAOYSA-N	345.811	2.963	50	50	EFGA	
COc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1	3072809	YERCQGRWJSABCE-VXLYETTFSA-N	345.786	2.746	50	50	EFGA	
CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccco2)cc1	5653172	QNWPNOQDDRBRPD-LDADJPATSA-N	329.356	2.547	50	50	EFGA	
COc1ccc(OC)c(/C=N\NC(=O)CNc2ccc(C)cc2)c1	16671304	PTSWLQVBIWPGOF-JAIQZWGSSA-N	327.384	2.574	50	50	EFGA	
COCc1nc(C)c(C(=O)OC[C@]2(C)C[C@H]2Br)s1	888099469	LIZJNRWRHVBDNK-PELKAZGASA-N	334.235	2.928	50	50	EFGA	
N#C/C(=C/c1cnc2ccccc2n1)C(=O)Nc1ccc2c(c1)OCO2	17071804	YCAZUIWIWJVJBX-GHXNOFRVSA-N	344.330	2.904	50	50	EFGA	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	245226660	HHSZRCQDGVWDNM-ZJORRTFASA-N	345.355	2.600	50	50	EFGA	
O=C(N/N=C/c1ccc(Br)cc1)c1cc(C2CC2)n[nH]1	2195938	QAXBTXVTMSBTGH-LZYBPNLTSA-N	333.189	2.814	50	50	EFGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)n[nH]1	4705511	VNQAEVQDUQEGTO-WOJGMQOQSA-N	335.323	2.749	50	50	EFGA	
O=C(N/N=C/c1ccncc1)c1cc(-c2ccc(Cl)s2)n[nH]1	9339533	OJYZFNXZNKBRET-CAOOACKPSA-N	331.788	2.951	50	50	EFGA	
CCOC(=O)N[C@@H](C(Cl)Cl)S(=O)(=O)c1ccc(C)cc1	3124968	QXSBAWHQERJTQC-LLVKDONJSA-N	340.228	2.645	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)o1	4019965	ZVGHHIRAFOESHO-LBPRGKRZSA-N	335.157	2.857	50	50	EFGA	
Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	5072939	OOAGZWDMEGIFHV-NSHDSACASA-N	349.177	2.603	50	50	EFGA	
Cc1c(NC(=O)/C(C#N)=C/c2ccco2)c(=O)n(-c2ccccc2)n1C	242328	CUFLAOAPSIRWRS-SDNWHVSQSA-N	348.362	2.623	50	50	EFGA	
C/C(=N\OCC(=O)N/N=C/c1ccc(N(C)C)cc1)c1cccs1	4982189	ADBUSBKQOLMLDC-QJJSIELFSA-N	344.440	2.705	50	50	EFGA	
CC(C)(C)OC(=O)N/N=C(/NCc1ccccc1)NCC(F)(F)F	43769311	IGIJVCGUWRWCRD-UHFFFAOYSA-N	346.353	2.724	50	50	EFGA	
COC(=O)c1ncccc1SSc1cccnc1C(=O)OC	221529091	IWYFXTPZSOZZLH-UHFFFAOYSA-N	336.394	2.849	50	50	EFGA	
O=C(CCn1nnc2ccccc21)N/N=C/c1c(F)cccc1Cl	536084	HSRDQHIZYVNHMW-VXLYETTFSA-N	345.765	2.764	50	50	EFGA	
Cc1ccccc1NCC(=O)N/N=C\c1ccc(Br)o1	4467705	GYTBUXMYSKBWII-IUXPMGMMSA-N	336.189	2.913	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	17071642	WNNCSADSZDIDGL-WOJGMQOQSA-N	343.339	2.766	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1	1875370159	DKSXSKPLIVKNOI-JTQLQIEISA-N	340.773	2.550	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@H](C)Sc2nc(C)cc(C)n2)cc1	439954	KPCHIVUDYOTEGY-SGPNVBEDSA-N	344.440	2.733	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1	440037	DRQZAIWXPKJLOE-VCHYOVAHSA-N	344.440	2.735	50	50	EFGA	
COc1ccc(CC(=O)NNC(=O)Nc2cccc(C)c2C)cc1	5041621	YIXVKXSOMFPPPZ-UHFFFAOYSA-N	327.384	2.707	50	50	EFGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1coc2ccccc2c1=O	283390	GZQRQWVBINLKBF-QGHHPUGFSA-N	348.358	2.854	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(F)cc3)[C@H]2C1	809459	PSSVTCUXUCQBCL-ZWKOTPCHSA-N	347.397	2.571	50	50	EFGA	
CCOc1cccc(/C=N/NC(=O)CNc2ccccc2C)c1O	2942044	CCLFCGCWLGSZPI-RGVLZGJSSA-N	327.384	2.662	50	50	EFGA	
O=C(O)CCSSCCNC(=O)CCCc1ccccc1	1875388820	RPIAKPAUFMEQHE-UHFFFAOYSA-N	327.471	2.982	50	50	EFGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1coc2ccccc2c1=O	283080	GRDDWDORZKEPKQ-MRXNPFEDSA-N	334.331	2.608	50	50	EFGA	
O=C(OCc1ccccc1)N1CC[C@H](I)C1	79436604	PHSGVWBPCLSEFX-NSHDSACASA-N	331.153	2.833	50	50	EFGA	
CC[C@@H](CS(=O)(=O)c1ccc(C)c(C)c1)NC(=O)[C@H](C)Cl	1875377185	AOQJKIDOANKFSL-STQMWFEESA-N	331.865	2.599	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)cc1	4980617	VLZTUSSGTJAWQH-RGVLZGJSSA-N	338.342	2.988	50	50	EFGA	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(N)cc3)[nH]n2)cc1	12343189	QAFAWJDPVXMGDE-CIAFOILYSA-N	349.394	2.822	50	50	EFGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccsc3)[C@@H]2C1	1515227	WMDPBNBNNOIBDP-SJORKVTESA-N	349.463	2.883	50	50	EFGA	
CN(C)N1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1CC(C)(C)CC2=O	74951	LDPUYGQQFCGHDS-KRWDZBQOSA-N	336.439	2.899	50	50	EFGA	
CC1(C)[C@@H]2CC[C@@]1(C(=O)NNc1nccnc1C1CCC1)C(=O)C2	1346984654	XYQSPYOVQBTDDE-XIKOKIGWSA-N	328.416	2.583	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C)c(Cl)c1	3072807	ZPLIROGCHVOTRQ-VXLYETTFSA-N	345.786	2.746	50	50	EFGA	
CC(=O)Oc1ccccc1C(=O)OC(=O)c1ccccc1OC(C)=O	8214492	OAWXYINGQXLWOE-UHFFFAOYSA-N	342.303	2.534	50	50	EFGA	in-vitro
O=C(COc1ccc2c(c1)CCC2)NNC(=O)Nc1ccc(F)cc1	17071647	KFOHSNMFAWATIT-UHFFFAOYSA-N	343.358	2.546	50	50	EFGA	
COc1ccccc1OCC(=O)N/N=C/c1cccc2cccnc12	434970	LKDDSTHUSNJDCN-CIAFOILYSA-N	335.363	2.773	50	50	EFGA	
CCCCC(=O)NC(=S)NNC(=O)c1ccc(Cl)cc1Cl	3105662	QXTSCOFXJYEQQT-UHFFFAOYSA-N	348.255	2.819	50	50	EFGA	
Cc1ccc(S(=O)(=O)NNC(=O)c2c(C)cc(C)cc2C)cc1	284117	QCQFKGAHLDGCMZ-UHFFFAOYSA-N	332.425	2.544	50	50	EFGA	
O=S(=O)(c1ccccc1)N1[C@@H]2CC=CC=C[C@H](Br)[C@@H]21	104279604	JOAGTKIFZPWHRX-OJEWEXDKSA-N	340.242	2.708	50	50	EFGA	
C[C@H](Cl)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C1CCCC1	1875377373	DFPNDLXKSVLDQL-CFVMTHIKSA-N	326.868	2.786	50	50	EFGA	
COCc1nc(C)c(C(=O)OC[C@@]2(C)C[C@H]2Br)s1	888099470	LIZJNRWRHVBDNK-PRHODGIISA-N	334.235	2.928	50	50	EFGA	
C=CCc1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	274323	RWVBNPYLCGANAL-XDHOZWIPSA-N	339.351	2.852	50	50	EFGA	
O=C(CN1CCCCCC1)N/N=C/c1ccccc1Br	283139	WQGOZFJKFADUIL-GZTJUZNOSA-N	338.249	2.775	50	50	EFGA	
CCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1	4372865	MIBLILVMGBZKEC-UDWIEESQSA-N	342.395	2.882	50	50	EFGA	
NNC(=O)[C@H]1CCCN(Cc2cccc(Oc3ccccc3)c2)C1	23115417	USHSXYIVPWRWHA-INIZCTEOSA-N	325.412	2.681	50	50	EFGA	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1	4209584	SSUYUOSONJPZOJ-KEBDBYFISA-N	329.787	2.529	50	50	EFGA	
CCOC(=O)CSc1nc2ccccc2n1C(=O)OCCCl	12413413	KLECHZYEYRAXME-UHFFFAOYSA-N	342.804	2.915	50	50	EFGA	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12	2576172	KOPVNIYJILZKIV-CIAFOILYSA-N	347.374	2.943	50	50	EFGA	
Cn1ccc(-c2noc([C@]3(c4ccccc4)C[C@@H]3Br)n2)n1	1875279174	ZBPSUIKPXYTKAJ-WFASDCNBSA-N	345.200	2.923	50	50	EFGA	
O=C(c1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[C@H]2Br	1775993841	MOLBUIYFMDGWMI-GFCCVEGCSA-N	339.189	2.984	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c1O	4311341	KUSWETLJJJQWHG-RQZCQDPDSA-N	342.380	2.616	50	50	EFGA	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc([N+](=O)[O-])c1)OCO3	470405	ZKDONWIIAAEZBH-MRXNPFEDSA-N	337.291	2.542	50	50	EFGA	
CCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12	6854716	NNAUVTXNSCUSHF-UHFFFAOYSA-N	328.441	2.631	50	50	EFGA	
O=C(N/N=C/c1ccccn1)c1cc(-c2ccc(Cl)cc2)n[nH]1	1247705	ZMNRTLFLUPZWRF-VXLYETTFSA-N	325.759	2.889	50	50	EFGA	
O=C1CC2(CCN(C(=O)[C@H](F)Cl)CC2)Oc2ccc(F)cc21	2325898564	LPESZWVIVUJXMT-ZDUSSCGKSA-N	329.730	2.687	50	50	EFGA	
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccncc1	1422116	HBIKCBRAMORLLY-CQSZACIVSA-N	333.372	2.875	50	50	EFGA	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1n[nH]c(Cn2cncn2)n1	4051584	JDQUWCDWHPQMHZ-XCVCLJGOSA-N	346.181	2.815	50	50	EFGA	
C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C#N	253499556	JHNKMSMCNITKIH-MWTXUKJESA-N	327.424	2.952	50	50	EFGA	biogenic
O=C(COc1ccc2ccccc2c1)N/N=C1/C(=O)Nc2ccccc21	6133632	QXZBPZLQYNVLFP-UHFFFAOYSA-N	345.358	2.691	50	50	EFGA	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)COc1cccc(C)c1	5548363	UUXHRSFUWYIODJ-RCCKNPSSSA-N	339.395	2.895	50	50	EFGA	
CC[C@@H](CCl)NC(=O)c1cccc(C(=O)N[C@@H](CC)CCl)n1	336092	LNJRVGTVRPXVJN-QWRGUYRKSA-N	346.258	2.576	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1	1875363678	ROAIPSQPFYSWSH-OLZOCXBDSA-N	337.851	2.747	50	50	EFGA	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(F)(F)F)c21	5013095	ZWJPWYGTBDCQSJ-JTQLQIEISA-N	336.273	2.655	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)[C@H](C)Sc1nc(C)cc(C)n1	188490	ZHLTZHQTOUDDPX-SGPNVBEDSA-N	344.440	2.733	50	50	EFGA	
O=C(CNc1cccc(Cl)c1)N/N=C/c1cccc([N+](=O)[O-])c1	5671385	QKMXJLDLRXJQFD-GIJQJNRQSA-N	332.747	2.810	50	50	EFGA	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1c[nH]nc1-c1cccs1	6423895	ZVCJRWHREODPFP-LZYBPNLTSA-N	341.352	2.810	50	50	EFGA	
CCOC(=O)/C(C#N)=C1/N=C(c2ccccc2)C(Br)=CN1	103574540	LOFHOIFBUFIYCG-SDNWHVSQSA-N	346.184	2.613	50	50	EFGA	
O=C(NNc1nc2ccccc2c(=O)[nH]1)c1ccc2c(c1)CCCC2	137200135	MBZYBQJTYPIOAB-UHFFFAOYSA-N	334.379	2.559	50	50	EFGA	
Cc1ccc(C)c(NC(=S)NNC(=O)c2ccc3c(c2)OCO3)c1	374763	NLMPPMSRYTZDHO-UHFFFAOYSA-N	343.408	2.664	50	50	EFGA	
Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1cccnc1	1946999	VBOUCVRUQHBLNO-RGVLZGJSSA-N	344.802	2.912	50	50	EFGA	
COc1cccc(NC(=S)NNC(=O)CCc2ccccc2)c1	6398642	SMWZOVSBTHIZCC-UHFFFAOYSA-N	329.425	2.646	50	50	EFGA	
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C#N	253499989	SWAJIWWXRRYRDI-DTMQFJJTSA-N	329.440	2.744	50	50	EFGA	biogenic
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1n[nH]c(=O)c2ccccc12	169926301	PJTQECHWVDNHAG-AAYHTFHISA-N	336.395	2.631	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1	181287	QVBYTRZAZRGQMA-FYJGNVAPSA-N	336.395	2.975	50	50	EFGA	
CC(C)(C)[Si](C)(C)Oc1cc(B(O)O)c(F)c(C(F)(F)F)c1	169955299	DNYRCCDNUSVYON-UHFFFAOYSA-N	338.182	2.908	50	50	EFGA	
CC[C@H]1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)F)cc2)C1	317730844	FVTKGSGBTUJEFT-RYUDHWBXSA-N	349.449	2.592	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)c1cncc(Br)c1	257493	LIPVBYUCFORSBE-CAOOACKPSA-N	334.173	2.617	50	50	EFGA	
C[C@@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1	1875378054	UXDYJOJIHSJCRO-MWLCHTKSSA-N	339.773	2.887	50	50	EFGA	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)CCl)cc2)C1	8183780	DKSMJHNBYPZHJS-RYUDHWBXSA-N	344.864	2.531	50	50	EFGA	
C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1Cl)c1ccccc1	2901013	QKJMBBHINYRVEN-MKFNJMOCSA-N	329.787	2.668	50	50	EFGA	
Cc1ccc(-c2cc(CN3CC[C@@H](NC(=O)CCl)C3)on2)cc1	1875384481	QKNFDKDZCPNQHK-CQSZACIVSA-N	333.819	2.579	50	50	EFGA	
CC(C)/N=C1/S[C@H]2CS(=O)(=O)[C@@H](Br)[C@@]2(C)S1	229835856	LGLVMTROHNJGDS-TZMXCWNKSA-N	344.321	2.508	50	50	EFGA	
O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc(Br)cc1	2571771	ITTPTKRVLPZSBO-LICLKQGHSA-N	346.184	2.538	50	50	EFGA	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)ccc1O	2674399	QNYSPKMJLCCAOL-VSMYLPJWSA-N	348.786	2.972	50	50	EFGA	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cnc3ccccc3n2)c1	371634	ZCVULDVHOMCEBH-SRZZPIQSSA-N	334.379	2.776	50	50	EFGA	
Cc1nc(C2CCCC2)sc1C(=O)NNc1c(C#N)c(C)nn1C	1875344479	FHQIWEQPJWPWFH-UHFFFAOYSA-N	344.444	2.780	50	50	EFGA	
CN(C)c1cccc(C(=O)N/N=C/c2cccc(C(=O)O)c2Cl)c1	1775988394	RRPSKHDAKWKREG-VXLYETTFSA-N	345.786	2.868	50	50	EFGA	
COc1ccc(Br)cc1C=NNC(=O)c1cccc(O)c1	254557434	XSWPAJAZSKJRLU-UHFFFAOYSA-N	349.184	2.927	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)s1	18148486	HTTYGWLYPAXOOG-RQZCQDPDSA-N	326.381	2.916	50	50	EFGA	
Cc1n[nH]c2c1[C@H](c1c(C)nn(-c3ccccc3)c1C)C(C#N)=C(N)O2	18172544	UDAHNFVDPRZCCX-KRWDZBQOSA-N	346.394	2.739	50	50	EFGA	
CC(C)(C)OC(=O)NC[C@@H]1CCC2(CCC2)[C@@H]1NC(=O)CCl	1875369906	PONISFCDKBGDCI-WCQYABFASA-N	330.856	2.815	50	50	EFGA	
Cc1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1C	122218	NMYARODBDPIDNR-UHFFFAOYSA-N	329.425	2.700	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1	292711	BDSSWUVOYPELGR-XDHOZWIPSA-N	327.384	2.708	50	50	EFGA	
Cc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	5072941	DWABALPNPFZCMT-NSHDSACASA-N	349.177	2.603	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C)s3)[C@@H]2C1	432518	FAUJHGKEZXHTEO-NVXWUHKLSA-N	349.463	2.802	50	50	EFGA	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1cccc(F)c1	4992173	ILWVWOIDWDENPT-REZTVBANSA-N	337.694	2.857	50	50	EFGA	
O=C(N/N=C/c1ccccn1)c1cc(-c2ccccc2Cl)n[nH]1	232783	GYURXRSEDUYWHF-VXLYETTFSA-N	325.759	2.889	50	50	EFGA	
O=C1c2ccccc2C(=O)N1CCCCCI	200668947	UNYGXYYFZGAWDL-UHFFFAOYSA-N	343.164	2.888	50	50	EFGA	
COc1cccc(C(=O)NNC(=O)c2sccc2-n2cccc2)c1	6182424	ZOFJFMNGYUSWIJ-UHFFFAOYSA-N	341.392	2.622	50	50	EFGA	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc3ccccc3c2)cc1	2098732	LVXCAZFRLCCERZ-FYJGNVAPSA-N	347.374	2.937	50	50	EFGA	
O=C(NNC(=O)c1ccc2ccccc2c1O)NC1CCCCC1	15934093	ZSAABUFLRRHCJD-UHFFFAOYSA-N	327.384	2.822	50	50	EFGA	
OB(O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1	170002444	KRQWRMMUXJAOLH-UHFFFAOYSA-N	334.180	2.524	50	50	EFGA	
O=C(CC1(O)CCCCC1)N/N=C/c1ccc(Br)cc1	296268	ZFXRVFSWEJFNOD-GZTJUZNOSA-N	339.233	2.985	50	50	EFGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccc1	5735284	LPPSLGMFJIIUNO-GIJQJNRQSA-N	335.266	2.960	50	50	EFGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/C=C/c1ccccc1	1946405	YCXQVATTXNQJHQ-XZHCKZKCSA-N	341.798	2.885	50	50	EFGA	
C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccco1	12343155	RDDUREABGITKAC-WOJGMQOQSA-N	328.397	2.799	50	50	EFGA	
CC(C)NC(=O)/C(C#N)=C/c1cc2c(cc1Br)OCO2	443862	MYEUJDNLPXKFIY-XCVCLJGOSA-N	337.173	2.609	50	50	EFGA	
CC(/C=C/c1ccco1)=N\NC(=O)COc1ccccc1[N+](=O)[O-]	4989720	VMELYQZOYDVXMX-ZPMYDZSXSA-N	329.312	2.772	50	50	EFGA	
C[C@H](CC(=O)NNc1nc2ccccc2c(=O)[nH]1)c1cccc(F)c1	137131112	YJJPGBAIPXCHCQ-LLVKDONJSA-N	340.358	2.699	50	50	EFGA	
O=C(NCc1ccccn1)c1cccc(-c2noc(CCl)n2)c1	34924938	BTVMZLWTOAIYRZ-UHFFFAOYSA-N	328.759	2.800	50	50	EFGA	
N#C/C(=C\c1c[nH]nc1-c1ccc(F)cc1)C(=O)NCc1ccncc1	6628817	YICHTSTVXCZDNH-OQLLNIDSSA-N	347.353	2.834	50	50	EFGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCCS(C)(=O)=O)C1	328596911	BLVBGALVLSXGOR-AWEZNQCLSA-N	335.586	2.907	50	50	EFGA	
Cn1ccc(-c2noc([C@@]3(c4ccccc4)C[C@@H]3Br)n2)n1	1875279173	ZBPSUIKPXYTKAJ-SWLSCSKDSA-N	345.200	2.923	50	50	EFGA	
CCN(CC)c1ccc(/C=C(\C#N)c2n[nH]c(N)c2C#N)c(OC)c1	4150166	OVVLRCRMHSXUIB-MDWZMJQESA-N	336.399	2.783	50	50	EFGA	
O=C(N/N=C/c1ccc(O)cc1)C(=O)Nc1cccc2ccccc12	4283240	LCVWZUWCMNQOGE-UDWIEESQSA-N	333.347	2.634	50	50	EFGA	
COc1ccc(Br)cc1C(=O)N/N=C/c1cccc(C)n1	126265	DTQHGGWFCKJVKD-RQZCQDPDSA-N	348.200	2.925	50	50	EFGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2O)c(O)c1	43334	FBNFORURTIUHBF-XDHOZWIPSA-N	327.384	2.708	50	50	EFGA	
O=C(CCl)NC1CCN(CCOc2ccc(Cl)cc2)CC1	1320465869	PZMYNRPUVCYQKQ-UHFFFAOYSA-N	331.243	2.538	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1	71947	LPSRWGXBRXUPBW-LICLKQGHSA-N	326.381	2.911	50	50	EFGA	
CCOc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2)cc1	2759797	APPZEROWVXOAAX-XSFVSMFZSA-N	339.395	2.954	50	50	EFGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(O)c(O)c1	9065046	YBEZKBQJLBPDKP-HNNXBMFYSA-N	346.346	2.706	50	50	EFGA	
C[C@@H](CCC(=O)ON1C(=O)CCC1=O)SSc1ccccn1	101687024	GTBCXYYVWHFQRS-JTQLQIEISA-N	340.426	2.598	50	50	EFGA	
Cc1nc2ccccc2cc1C(=O)N/N=C1\C(=O)Nc2ccccc21	5730198	VRDOXHUZMACCOS-UHFFFAOYSA-N	330.347	2.629	50	50	EFGA	
COc1cccc(/C=N/NC(=O)c2cc(-c3cccs3)n[nH]2)c1	2453921	FBQLTNNAWPMBRS-LICLKQGHSA-N	326.381	2.911	50	50	EFGA	
COc1ccc(Cl)cc1/C=N/NC(=O)[C@@H]1COc2ccccc2O1	59075	BRWSXLDWYQUPPH-ARFNDINWSA-N	346.770	2.639	50	50	EFGA	
CC(C)Oc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	522805	PWDBZWLXLCRMAT-VXLYETTFSA-N	326.352	2.966	50	50	EFGA	
O=C(N/N=C\c1cccnc1)[C@H]1COc2cc3ccccc3cc2O1	32614472	MIIGLTHHSZPJQO-UTYYKHSJSA-N	333.347	2.525	50	50	EFGA	
COc1cc(/C=N\NC(=O)c2cccc(Br)c2)ccc1O	32609433	OMUXVNVPPWOPNG-MFOYZWKCSA-N	349.184	2.927	50	50	EFGA	
CCc1ccccc1NC(=O)NNS(=O)(=O)c1ccc(C)c(C)c1	17072270	PHCPSMNYPKBOJR-UHFFFAOYSA-N	347.440	2.881	50	50	EFGA	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1c[nH]c2ccccc12	5318848	MNDNUDUEULHOGE-SRZZPIQSSA-N	331.379	2.976	50	50	EFGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1[N+](=O)[O-]	1880028	HHTWRCDDWPCLON-LZYBPNLTSA-N	348.702	2.920	50	50	EFGA	
C[C@H]1CN(C(=O)[C@@H](C)Cl)CCN1C(=O)Cc1cccc(Cl)c1	1875364584	XFVJFFYJQGNGDW-NWDGAFQWSA-N	343.254	2.569	50	50	EFGA	
COc1ccccc1C(=O)N/N=C\c1cc(Br)ccc1O	71784992	KWKHCHNCJOBPCB-MFOYZWKCSA-N	349.184	2.927	50	50	EFGA	
COc1cc(C2C(C#N)=C(C)NC(C)=C2C#N)cc(OC)c1OC	19690577	YMROQNXIMWYKBL-UHFFFAOYSA-N	325.368	2.994	50	50	EFGA	
C/C(=N\NC(=O)c1cc(-c2cccs2)[nH]n1)c1cccc(O)c1	6780483	AAROYADJLRXJDD-LICLKQGHSA-N	326.381	2.998	50	50	EFGA	
O=C(NNC(=O)c1cccc(Br)c1)Nc1ccccc1	283241	OZRAKHFGJUHSGZ-UHFFFAOYSA-N	334.173	2.916	50	50	EFGA	
O=C(NNC(=O)c1cccnc1)Nc1cccc(Cl)c1Cl	621275	VEXUADFAKFWQEM-UHFFFAOYSA-N	325.155	2.855	50	50	EFGA	
O=[n+]1c(CBr)c(CBr)n(O)c2ccccc21	100667544	AZSDDUBOOQNRTQ-UHFFFAOYSA-N	349.002	2.583	50	50	EFGA	in-vitro
CC[C@H](Nc1ccccc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	252337	JRPJOMSCJARLSG-IQFISFIMSA-N	326.356	2.936	50	50	EFGA	
Cn1cccc1-c1cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]n1	232648	MMCDFYRPLROSNM-VCHYOVAHSA-N	327.775	2.833	50	50	EFGA	
O=C(NNC(=O)c1c(F)cccc1F)c1sccc1-n1cccc1	1394309	RPVNQDWEFJZEQX-UHFFFAOYSA-N	347.346	2.892	50	50	EFGA	
COc1ccccc1/C=C/C=N/NC(=O)CCn1nnc2ccccc21	1823409	HICHQUGAMVZNPL-XIXYXBKTSA-N	349.394	2.645	50	50	EFGA	
C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](C(=O)NN)CC[C@H]12	254546573	VVTXMFGLOIFEKN-FMKUXJSGSA-N	332.488	2.916	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	70990	CSSXJVCMPZLGJK-INIZCTEOSA-N	326.352	2.519	50	50	EFGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2nc(C)cc(Cl)n2)cc1	16739911	YGVXLNNAHCHFPP-LCYFTJDESA-N	348.815	2.998	50	50	EFGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cccs1	4079675	IOPTZJCONZZXPE-RGVLZGJSSA-N	337.404	2.781	50	50	EFGA	
COc1ccc(C)cc1NC(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl	2853713	WTABUUPSWCPMCZ-ZDUSSCGKSA-N	346.214	2.740	50	50	EFGA	
COCc1nc(C)c(C(=O)OC[C@]2(C)C[C@@H]2Br)s1	888099472	LIZJNRWRHVBDNK-UFBFGSQYSA-N	334.235	2.928	50	50	EFGA	
Cc1n[nH]c2c1[C@@H](c1cc(Cl)cc(Cl)c1O)C(C#N)=C(N)O2	8903151	XTXJJTRHBGRMLF-NSHDSACASA-N	337.166	2.949	50	50	EFGA	
CCCN1CCN([C@H](C)CCCN(C(=O)[C@@H](C)Cl)C2CC2)CC1	1875364211	ITBBPHQEHVGSPG-HZPDHXFCSA-N	343.943	2.801	50	50	EFGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)o1	9088308	AQPFZPGTHSGJPY-YBFXNURJSA-N	337.383	2.808	50	50	EFGA	
Cc1c(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cnn1C	374416	LBLORTHXOMRVQN-GIJQJNRQSA-N	334.807	2.690	50	50	EFGA	
Cc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1C	435263	MVMUMVASULDKAN-VCHYOVAHSA-N	327.340	2.741	50	50	EFGA	
COc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)cc1	478844	QEOWTGJNDUBGIY-DJKKODMXSA-N	333.775	2.930	50	50	EFGA	
COc1ccc(OC)c(C=NNC(=O)COc2c(C)cccc2C)c1	16677672	VHUPZOGPCPYQRR-UHFFFAOYSA-N	342.395	2.850	50	50	EFGA	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(F)cc2)[nH]n1	8568409	ULCDHEKQHARNLA-RGVLZGJSSA-N	338.342	2.988	50	50	EFGA	
C=CCc1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O	301036	PMQPTNMVMMWQTO-WOJGMQOQSA-N	325.324	2.793	50	50	EFGA	
CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNNC(=O)c1ccccc1	1857524933	OFYGVQXKIOOSLU-UHFFFAOYSA-N	348.406	2.844	50	50	EFGA	
Cc1nn(C)c(C)c1CCC(=O)OC[C@]1(C)C[C@@H]1Br	888099536	PDXWGQVIIBRQJT-JSGCOSHPSA-N	329.238	2.686	50	50	EFGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2c(c1)OCO2	58309	CIUUDCOYHBMQHM-INIZCTEOSA-N	338.363	2.866	50	50	EFGA	
CC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(Cl)Cl)cc1	617325	MMLATPXWPDELGA-QMMMGPOBSA-N	339.244	2.506	50	50	EFGA	
CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccccc1	2971169	NWEQEDOHGVIEDI-LDADJPATSA-N	343.339	2.523	50	50	EFGA	
CC(C)c1ccc(/C=N/NC(=O)c2nc3ccccc3[nH]c2=O)cc1	5727475	RUYRYFRWBKPGOQ-RGVLZGJSSA-N	334.379	2.810	50	50	EFGA	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2O)[nH]n1	4312400	AHYVJSDPIVBMQS-YBFXNURJSA-N	336.351	2.555	50	50	EFGA	
Cc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	5072938	VWNRKRYUJRVZHK-SNVBAGLBSA-N	349.177	2.603	50	50	EFGA	
CC(C)(C)OC(=O)N1CC[C@@](O)(C(F)(F)F)[C@H](Br)C1	396137665	MTHBKYXJSOPDME-XCBNKYQSSA-N	348.159	2.684	50	50	EFGA	
COC(=O)C1=C(N)OC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F	355411	MUAJXELEDUKNIS-GFCCVEGCSA-N	338.285	2.960	50	50	EFGA	
Cc1ccsc1CN(C(=O)CCl)[C@@H]1CCN(C(C)C)C1=O	1875382264	WMNQRPQMDMJRBP-GFCCVEGCSA-N	328.865	2.633	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(C)s3)[C@H]2C1	5018229	FAUJHGKEZXHTEO-DOTOQJQBSA-N	349.463	2.802	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1	182685	AZKQHWXNQRGCQW-INIZCTEOSA-N	345.358	2.755	50	50	EFGA	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1F	2898185	VFRVUTGDRUJAOJ-DJKKODMXSA-N	333.750	2.876	50	50	EFGA	
CCn1ncc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	37398	AFBCZDQOPIIENE-OAHLLOKOSA-N	326.400	2.662	50	50	EFGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1OC	3667174	ZJWWTUMDFLLPDC-INIZCTEOSA-N	326.352	2.506	50	50	EFGA	
O=C1O[C@H]2[C@H]3C[C@@H]([C@@H](c4ccccc4)[C@@H]13)[C@H]2I	230079924	HSYRRILDTLPLIV-NURVWSNCSA-N	340.160	2.765	50	50	EFGA	
O=C(COc1ccccc1)N/N=C/c1cc(Br)ccc1O	261269	ZRXXJHRQZVYPPI-RQZCQDPDSA-N	349.184	2.684	50	50	EFGA	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)ccc1O	2674400	QNYSPKMJLCCAOL-VURRPDKYSA-N	348.786	2.972	50	50	EFGA	
COC(=O)c1cc(/C(C#N)=C2/C(=O)Nc3ccc(F)cc32)c(C)o1	197643404	RLFPFTFSLIDGCH-NTCAYCPXSA-N	326.283	2.900	50	50	EFGA	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(O)c1	186300	FIOFEQLXCLAQCB-RQZCQDPDSA-N	326.381	2.511	50	50	EFGA	
O=C(Nc1ccc(Cl)cc1Cl)c1ccc(Cl)c(B(O)O)c1	169744041	ZGFGZSCJBZPJGO-UHFFFAOYSA-N	344.390	2.579	50	50	EFGA	
CC(C)(C)c1n[nH]c2c1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)=C(N)O2	82666	PBQHEXMVBUKVQA-GFCCVEGCSA-N	339.355	2.834	50	50	EFGA	
O=C(Cn1nnc2ccccc21)N/N=C\c1cccc(Cl)c1Cl	32617948	KAIKUBVSCGQRLG-LSCVHKIXSA-N	348.193	2.888	50	50	EFGA	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2	444675	KYDIYBCYZYMBJP-SFHVURJKSA-N	343.390	2.853	50	50	EFGA	
COc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1OC	566423	HCKRBSKOTGDDMY-VXLYETTFSA-N	348.786	2.886	50	50	EFGA	
Cc1c(/C=N/NC(=O)Cc2c(Cl)cccc2Cl)cnn1C	2800901	KXIXEVHNJZGPBF-REZTVBANSA-N	325.199	2.728	50	50	EFGA	
O=C1Nc2ccc(Br)cc2/C1=N/NC(=O)c1ccccc1	18029561	KLQFKFPZTKKLTP-UHFFFAOYSA-N	344.168	2.535	50	50	EFGA	
CCCCc1ccc(NC(=O)c2ccc(Cl)c(B(O)O)c2)cc1	169744203	RHJMNXAZTFAMMY-UHFFFAOYSA-N	331.608	2.615	50	50	EFGA	
CNC(=S)NNC(=O)c1csc2c1CC[C@H](C(C)(C)C)C2	6563420	XZBDWFGKYTXRHX-VIFPVBQESA-N	325.503	2.638	50	50	EFGA	
CCOc1ccc([C@H](C)NC(=O)CCCNC(=O)[C@H](C)Cl)cc1	1875364273	MWPBPRXZQQIZQH-STQMWFEESA-N	340.851	2.786	50	50	EFGA	
CCCCCc1cc(C(=O)NCCSSCCC(=O)O)n[nH]1	1875388904	UZPHHKBJUMVXLM-UHFFFAOYSA-N	345.490	2.728	50	50	EFGA	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)s2)CC(=O)N1	178139	IVACVBDVLXOAKB-JTQLQIEISA-N	336.438	2.692	50	50	EFGA	
Cc1ccc(O[C@@H](C)C(=O)NNC(=S)Nc2ccccc2)cc1	6574080	BAWQXFWUKFEGKY-ZDUSSCGKSA-N	329.425	2.780	50	50	EFGA	
COc1ccc(C(=O)N/N=C\c2coc3ccc(C)cc3c2=O)cc1	15934266	YQYAUIRYAZODJX-JMIUGGIZSA-N	336.347	2.874	50	50	EFGA	
CC(=O)Nc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1	182578	KZMBDFRDCGEJKJ-IBGZPJMESA-N	348.406	2.929	50	50	EFGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccnc1	102293819	BMQVODKDQVEXTO-KGENOOAVSA-N	332.448	2.789	50	50	EFGA	
C[C@H](Cl)C(=O)N[C@@H]1CCc2nc(-c3cc(F)ccc3F)cn2C1	1875378052	UXDYJOJIHSJCRO-GXSJLCMTSA-N	339.773	2.887	50	50	EFGA	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1	2566450	ISAHKFGVCACJBP-DEDYPNTBSA-N	339.395	2.737	50	50	EFGA	
CC(=C/c1ccccc1)/C=N/NC(=O)CNC(=O)c1ccc(C)cc1	25758247	PSOMYXOPUOXLCI-BXKXQWCYSA-N	335.407	2.930	50	50	EFGA	
CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1	19816281	YIHOMAXYJIKXIL-DLBZAZTESA-N	349.825	2.695	50	50	EFGA	
COc1ccc(O)c(/C=N/NC(=O)COc2cccc(Cl)c2)c1	59028	DLGFXLOHJACGIL-GIJQJNRQSA-N	334.759	2.583	50	50	EFGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(O)cc1O	4366350	KDXTXUKYCIRJIQ-SVXRXWARSA-N	334.759	2.669	50	50	EFGA	
Cc1cccc(C)c1OCC(=O)NN=Cc1ccc(N(C)C)cc1	16677575	PZLHBFQMCLUHOR-UHFFFAOYSA-N	325.412	2.899	50	50	EFGA	
Cn1cccc1CNC(=O)[C@@]1(c2ccccc2)C[C@@H]1Br	1148114250	SFTXZPYELPTBRB-GOEBONIOSA-N	333.229	2.747	50	50	EFGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(C)c1C	283221	ZBNFARVBNHLTES-KRWDZBQOSA-N	342.395	2.957	50	50	EFGA	
CNC(=S)NNC(=O)c1csc2c1CC[C@@H](C(C)(C)C)C2	6563406	XZBDWFGKYTXRHX-SECBINFHSA-N	325.503	2.638	50	50	EFGA	
O=C(CCl)NCc1ccccc1-c1ccc(Cn2cncn2)cc1	1875364841	VLZMRWVCTHSBRC-UHFFFAOYSA-N	340.814	2.848	50	50	EFGA	
CO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccc(N(C)C)cc1	5023111	ZEKJGXCVUBRMBX-BNVXWPFTSA-N	337.423	2.765	50	50	EFGA	
COc1ccc(COC(=O)NNC(=O)/C=C/c2ccccc2)cc1	5101306	GRGPJVBZBKOYEE-FMIVXFBMSA-N	326.352	2.666	50	50	EFGA	
COc1cc(/C=N/NC(C)=O)ccc1OC(=O)/C=C/c1ccccc1	2521176	POBQKWDQAUWALN-ZEQSIELKSA-N	338.363	2.784	50	50	EFGA	
O=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1	1393738	VFXRHDAIELEMHE-UHFFFAOYSA-N	335.319	2.891	50	50	EFGA	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccccc1[N+](=O)[O-]	448318	XOOSHWPWYHAEKI-VCHYOVAHSA-N	327.340	2.741	50	50	EFGA	
O=C(N/N=C\c1ccc([N+](=O)[O-])o1)c1cccc(Br)c1	4990547	TXWFUCUZAFDVNZ-AUWJEWJLSA-N	338.117	2.714	50	50	EFGA	
F[C@H]1C[C@H]2[C@@H](Br)[C@H]1NC2(C(F)(F)F)C(F)(F)F	245236150	QETLGKWBLPLOEM-KLVWXMOXSA-N	330.041	2.943	50	50	EFGA	
O=C(N/N=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1	4282666	XIKMKNMSGBSNSM-KEBDBYFISA-N	340.770	2.910	50	50	EFGA	
O=C(N/N=C/c1ccco1)C(=O)Nc1cccc(Cl)c1Cl	2518543	IILGPWKQBDQVJM-FRKPEAEDSA-N	326.139	2.675	50	50	EFGA	
CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)=C(N)O2	4597221	LMVLTKOYCJFJGR-LBPRGKRZSA-N	339.355	2.834	50	50	EFGA	
CCOc1cc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)ccc1O	12468215	WRKAZXHJPOIHKE-VCHYOVAHSA-N	330.388	2.575	50	50	EFGA	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)NC1CCCCC1	355657	MTDSJEXJYVYIOW-UHFFFAOYSA-N	342.399	2.927	50	50	EFGA	
COc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1	4372618	FMKAOHJPTSUEBD-MBNTZHJCSA-N	343.339	2.521	50	50	EFGA	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1O	196651	HUCLGTLOXLSOIP-MRXNPFEDSA-N	326.352	2.606	50	50	EFGA	
Cc1cc(C(=O)NCCSSCCC(=O)O)c(F)cc1F	1875388585	HNRYOMORRMRPIA-UHFFFAOYSA-N	335.397	2.859	50	50	EFGA	
C[C@H](Cl)C(=O)N1CC(c2ncc(OCc3ccccc3)cn2)C1	1875367983	GDSHFBCLBDWACH-LBPRGKRZSA-N	331.803	2.609	50	50	EFGA	
COc1ccc(O)c(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1	286382	NMHDSZLWVWBLON-VSMYLPJWSA-N	348.786	2.972	50	50	EFGA	
O=C(N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(F)cc1	16310662	YCEDGBMAQVJLRG-REZTVBANSA-N	337.694	2.857	50	50	EFGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(F)(F)F)c32)cc1	6493625	NMSGGIVKACQPBV-JTQLQIEISA-N	336.273	2.655	50	50	EFGA	
O=S(=O)(CBr)Nc1ccc2nc(C3CCC3)[nH]c2c1	1875391404	HEKUQNTXUYIJHQ-UHFFFAOYSA-N	344.234	2.925	50	50	EFGA	
COC(=O)NC(C#N)=C(NCc1ccccc1)NCc1ccccc1	1800660	OTEATBNBHHZTBW-UHFFFAOYSA-N	336.395	2.615	50	50	EFGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2c(c1)OCO2	26593	CIUUDCOYHBMQHM-MRXNPFEDSA-N	338.363	2.866	50	50	EFGA	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(F)cc3)[C@@H]2C1	33936237	PSSVTCUXUCQBCL-MSOLQXFVSA-N	347.397	2.571	50	50	EFGA	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@H]2CCCC(=O)N2)C1	910057019	QDZJIEFOKJLXKY-UONOGXRCSA-N	340.540	2.668	50	50	EFGA	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccccc2Cl)n1	3130326	BTLVOLULYWJAPO-CAOOACKPSA-N	334.832	2.989	50	50	EFGA	
COc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br	257349	RAFYNUZZMWLQPB-RQZCQDPDSA-N	334.173	2.617	50	50	EFGA	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1ccsc1	1426903	VQVKDDIDRCAFKV-CQSZACIVSA-N	335.388	2.818	50	50	EFGA	
C/C(=N\OCC(=O)N/N=C/c1ccc(C)cc1O)c1cccs1	5007827	UNJAFLKVOUSZHJ-OHJMVEGPSA-N	331.397	2.653	50	50	EFGA	
CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)OCC)c1C	175485	AOFYGAIXNQKIHT-UHFFFAOYSA-N	333.793	2.587	50	50	EFGA	in-vitro
Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Cl)cc1	2556901	KISOIDIHUAPEON-HNNXBMFYSA-N	337.828	2.650	50	50	EFGA	
COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2nc(C)cc(C)n2)cc1	439956	KPCHIVUDYOTEGY-HVOBPNNYSA-N	344.440	2.733	50	50	EFGA	
COc1c(O)cc(/C=N/NC(=O)c2ccccc2)cc1Br	6180394	PHWHQMMTRQXIFH-RQZCQDPDSA-N	349.184	2.927	50	50	EFGA	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc(F)cc1	4828732	KPBDXBPJEUHDIF-UHFFFAOYSA-N	335.251	2.791	50	50	EFGA	
CCn1cc([C@H](O)CN(Cc2ccccc2)C(=O)[C@@H](C)Cl)cn1	1875375606	FUDMIQHFFZUUFA-CZUORRHYSA-N	335.835	2.593	50	50	EFGA	
Cn1c(SCC(=O)N/N=C/c2ccc(O)cc2)nc2ccccc21	186611	MFGWYWNTYCFUSN-VCHYOVAHSA-N	340.408	2.521	50	50	EFGA