smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OCc3ccccc3)c(C[C@H](Br)CBr)cc12	1246001	OSOGNQUKQITSAN-SFHVURJKSA-N	581.257	4.943	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	2530535	BPFAPFOZKHFCNG-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2)cc1	4230321	RQZFGBZYMICMPS-OCSSWDANSA-N	507.974	4.618	50	50	KJGA	
CCCCC[C@@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21	64858232	CVMXPPQBNJUHBS-LTRONMPNSA-N	560.805	4.976	50	50	KJGA	in-vitro
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2OC)cc1OC	4302314	GYEYIKCLXNOTAQ-OCSSWDANSA-N	514.534	4.614	50	50	KJGA	
C=C[C@@H](C)[C@H](OCOCCOC)[C@@H]1O[C@H]1[C@H](O)CC[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C	169834760	RTZZKJSNABXFEF-CRLGVJNESA-N	514.852	4.994	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1	2521840	IZJPTICMVPIVFR-ZMOGYAJESA-N	522.808	4.676	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1OC	2544331	CQSMUGKKFJPXKF-KBVAKVRCSA-N	581.610	4.684	50	50	KJGA	
C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc21)c1ccccc1	105671064	HOHSWPWSVMZUPO-XJCOUQANSA-N	545.643	4.954	50	50	KJGA	
COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3ccc(Br)cc3)[C@H]2C)c(Br)c2c1OCO2	150402105	CXZJCVQCXRNTSD-CXWCNJQRSA-N	618.076	4.925	50	50	KJGA	
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/c1cc(I)cc(I)c1O	150457613	NVAWNZMGAFNRPO-ODCIPOBUSA-N	668.345	4.988	50	50	KJGA	
O=C(NNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1C(F)(F)F	2156461	DXSMABFLNWKATQ-UHFFFAOYSA-N	514.085	4.566	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	2543828	KPDDMHBFECVXIX-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NN=Cc1cc(Br)ccc1O	252679448	MRCILVCWECNJBM-UHFFFAOYSA-N	508.401	4.645	50	50	KJGA	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1	713931	FVPFGUSEZQFDDI-LJQANCHMSA-N	500.194	4.911	50	50	KJGA	
O=C(N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1)C(=O)Nc1nnc(-c2ccccc2)s1	2544402	QTPCRUCWJNNCCO-UVHMKAGCSA-N	540.388	4.820	50	50	KJGA	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@@H](NC(=O)c3ccccc3)c3n[nH]c(=O)c4ccccc34)ccc21	2869777	ZLGVDKCPTPSYKA-FBTAJRKFSA-N	542.599	4.672	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccco3)n2-c2ccc(OC)cc2)cc1	9272413	CUHHKHDLPAEHKC-LZLMZXBOSA-N	503.584	4.842	50	50	KJGA	
CCn1c(Cn2nc(C(F)F)cc2C(F)F)nnc1SCC(=O)N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1	2747975	PHUNZSGUNOKWIU-YLKCYHHESA-N	569.976	4.704	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)sc2c1CCCC2	4296354	QMKAWGUIXALTRH-FJEPWZHXSA-N	628.501	4.883	50	50	KJGA	
O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1)OCc1ccccc1	71788229	DQKARZJTYUBTMX-VWLOTQADSA-N	535.553	4.892	50	50	KJGA	in-vitro
CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1	4287158	MQHDZABPLGKOGU-AKBIMGJMSA-N	511.372	4.985	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3cccs3)n2-c2ccccc2)cc(OC)c1OC	9197225	YTNAPWYHAVHNTI-WGOQTCKBSA-N	523.640	4.654	50	50	KJGA	
COc1cc(/C=N/NC(=O)CC2(C)OCCO2)cc(Br)c1OCc1cccc2ccccc12	16676073	KZJZKFOGAKOUNP-JFLMPSFJSA-N	513.388	4.793	50	50	KJGA	
CCCCC[C@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	64858237	CVMXPPQBNJUHBS-SIFQMUKYSA-N	560.805	4.976	50	50	KJGA	in-vitro
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1	100613954	LWKADGMAUNASKU-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1	2521216	BEZGOECPIHGGKV-UVHMKAGCSA-N	540.388	4.820	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	4335799	LSORICWNHWSWFR-SVMUSQEWSA-N	513.506	4.893	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)sc2c1CC[C@H](C)C2	2520175	VPVHGIWQSYEQKA-PCHPKZPRSA-N	547.633	4.666	50	50	KJGA	
COc1cc(C(=O)Oc2cc3c4c(c2)[C@]2(C(=O)N4C(C)(C)C[C@@H]3C)C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC	59616747	FSOVJIGEGZGLHV-MIKNWGHHSA-N	599.640	4.533	50	50	KJGA	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[C@H](CSSC[C@@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)C(=O)O)C(=O)O	169683516	VQUILFZJHCQRPY-LOYHVIPDSA-N	855.822	4.604	50	50	KJGA	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1	2532091	NHDIOCJOBMBZQZ-VFLNYLIXSA-N	509.946	4.793	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1	2544069	JMLBGKNSKGHJKB-UXHLAJHPSA-N	511.534	4.555	50	50	KJGA	
O=C(COc1ccc(Br)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	4335812	JYOCBHUOEYSIQG-DHRITJCHSA-N	532.188	4.960	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2-c2ccc(OC)cc2)cc1	2276545	SJGOLEMYRIVOOE-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)/C=C/C(=O)N/N=C1/[C@H](Br)[C@@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br	253390203	NUHNIPNJEMPNDO-HOTHWNMTSA-N	570.370	4.926	50	50	KJGA	
O=C(Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccn1)c1ccc(Br)cc1	2901429	CGIGEJJRENQNFG-WYMPLXKRSA-N	503.150	4.590	50	50	KJGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1	2544155	GRCDWYNVJARENT-ZCTHSVRISA-N	521.529	4.522	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2OCC)cc1	4327106	RWVMHEKLKOEZFE-ZCTHSVRISA-N	525.561	4.945	50	50	KJGA	
Cc1ccccc1NCC(=O)N/N=C\c1c(Br)cc(Br)c(O)c1Br	100458002	CYSNGDYRBUFPRU-YXSASFKJSA-N	520.019	4.550	50	50	KJGA	
O=C(N[C@@H](C(=O)NN=Cc1c2ccccc2cc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	252642029	ZIQBQGBREZMXSA-GDLZYMKVSA-N	525.568	4.851	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1	2544516	QEZFYYRFKQFBNG-VTNSRFBWSA-N	529.980	4.991	50	50	KJGA	
Cc1cc(Br)c(C(C)C)c(OCC(=O)N/N=C2/C(=O)Nc3c(C)cccc32)c1Br	3183227	UVEJZAPCIJGUAK-UHFFFAOYSA-N	523.225	4.803	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3OC)n2-c2ccc(Cl)cc2)cc1	1771044	ZDUKCPFBCVFICU-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2OC)cc1	2531884	LDGCXMBSRVXHIE-JFLMPSFJSA-N	527.371	4.605	50	50	KJGA	
COc1ccc(C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1OC	2544457	PBXMOTKLNXWFHM-OCSSWDANSA-N	514.534	4.857	50	50	KJGA	
Cc1nnc(SCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)n1-c1ccccc1	4230052	PTKHUHTUNMQEMX-JFLMPSFJSA-N	550.438	4.800	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1	19898983	QOKZDRFAKYYXGY-PSWAGMNNSA-N	510.594	4.588	50	50	KJGA	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1	2530598	QXMULNJPHZWERJ-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1	4259152	WOYYLEZVKQSNAO-VFLNYLIXSA-N	509.946	4.793	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2OCC)cc1	4355008	MAGPFGIKGQYEKK-OGLMXYFKSA-N	521.526	4.531	50	50	KJGA	
O=C(NNC(=S)NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2	2794073	XEAJGJUIONTLBA-FUHWJXTLSA-N	508.957	4.506	50	50	KJGA	
COc1ccc(NC(=O)CCC(=O)NN=Cc2ccccc2OCc2cccc(Br)c2)cc1	245240270	PADUUKMYSJVCKU-UHFFFAOYSA-N	510.388	4.906	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1	2329225	NNAISMXJONSPGE-GBUKGSFUSA-N	514.567	4.759	50	50	KJGA	
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)c1ccc(Br)s1	2854960	SZLWOUFVUAVKOD-UHFFFAOYSA-N	524.487	4.971	50	50	KJGA	
CC[C@H](C)[C@H](NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](C(=O)O)[C@@H](C)CC)C(=O)O	3946585	SUQDXZBTWJQATJ-QDGJQWLKSA-N	532.684	4.944	50	50	KJGA	
COc1ccc(Cl)cc1NC(=O)CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	239274831	ASSQXHACRQPAIS-FSMQDNEQSA-N	576.713	4.625	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(OC)cc2)cc1	2531430	ASOKMJWAJZQUNL-JFLMPSFJSA-N	527.371	4.605	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(I)cc1	239415300	UDMGQHNEFYXKCV-DNLMCPORSA-N	638.138	4.568	50	50	KJGA	
Cc1cc(Br)cc2c1N(C)C(=O)/C2=N\NC(=O)COc1c(Cl)cc(Cl)cc1Cl	12445807	OYSBNSRPLKAHNH-IWIPYMOSSA-N	505.583	4.593	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)COc2ccc(F)cc2Cl)sc(C)c1-c1ccccc1	20294078	QGZUGVDOZSOKOD-UHFFFAOYSA-N	507.996	4.699	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	2532114	JZLWZGRYHXEZFJ-AMVVHIIESA-N	536.009	4.971	50	50	KJGA	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccccc2)s1	102307787	UPMRILJKJDSUTL-RWPZCVJISA-N	572.448	4.909	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	253505607	IJKPEDMDYLWPMU-VJWLFNROSA-N	557.688	4.917	50	50	KJGA	biogenic
CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1	4347401	QYLJHTGVFSVJRG-ZCTHSVRISA-N	525.561	4.945	50	50	KJGA	
N#Cc1cc(Br)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc(I)cc2)o1	2839943	MQJWNNZKIKHZIW-BHGWPJFGSA-N	550.150	4.714	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc(OC)c1OC	1306719	XNDIEMHHVHULIR-MUFRIFMGSA-N	531.638	4.819	50	50	KJGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	2543809	NNFWIERVEKIGAK-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	2543853	XRGXFTBAZSTTFK-MZJWZYIUSA-N	544.789	4.809	50	50	KJGA	
Cc1ccc(C)c(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccccc2)c1	2900517	URKSBZTWUIBZHQ-OGLMXYFKSA-N	532.578	4.817	50	50	KJGA	
C[C@@H]1O[C@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	97944308	ZNQXFYBHGDPZCZ-RUWBUGSCSA-N	539.378	4.803	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)sc2c1CCCC2	4355681	CCADTGISPLUCIL-FJEPWZHXSA-N	584.050	4.774	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCC2	16345645	AJWLBHQWYZVBBI-UHFFFAOYSA-N	502.445	4.507	50	50	KJGA	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1	196062432	NFIAUHQTSCWVMS-LYPBTDJXSA-N	589.838	4.710	50	50	KJGA	biogenic
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)ccc3OC)n2-c2ccc(C)cc2)cc1	1244846	PCJRNGVSGQEYON-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(CC)cc2)cc1	2544138	LCTUKCZVWRZDFY-LQKURTRISA-N	538.398	4.718	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1	4295927	NYADEWRUROZHLO-OKCVXOCRSA-N	552.425	4.646	50	50	KJGA	
COc1ccc(CO[C@H]2C[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H](O)[C@@H]2C)cc1	169835349	JEKDQUGPNDQOAU-MQBYHGJOSA-N	520.742	4.900	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccccc2F)cc1OC	2531550	RSZAXMCZDDCPPQ-LGJNPRDNSA-N	501.308	4.589	50	50	KJGA	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1	2918448	JRFLZVRTBFYSAT-IPPBACCNSA-N	531.407	4.709	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)c1ccccc1	4209972	YGVYAGRZBXOIQY-IPPBACCNSA-N	521.982	4.663	50	50	KJGA	
COc1ccc(N(CC(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1	2900384	PSXCHSXUCCQPOW-OGLMXYFKSA-N	548.577	4.517	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1	4259365	FVSSFGISMWSQRM-OCSSWDANSA-N	507.974	4.618	50	50	KJGA	
Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c2)c1	239164976	NGEQYPKGUDSINL-OMIWWWDHSA-N	589.280	4.625	50	50	KJGA	
COc1ccc(NC(=O)[C@@H](c2ccc(C#N)cc2F)N(C(=O)C(Cl)Cl)[C@H]2CCCC[C@@H]2CO)c(C)c1	2325823225	KZTJUSKJMIZFNT-MQNAVGNWSA-N	536.431	4.878	50	50	KJGA	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccc(Br)cc1	100856996	XSFAWGQXWMKKQO-GHRIWEEISA-N	538.514	4.733	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)c(OC)c1OC	1897970	PMFXJZMHFIRAFW-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
CCOc1ccc(N(CC(=O)N/N=C(\C)c2cccs2)S(=O)(=O)c2ccc(Br)cc2)cc1	97970875	ARPRQEDYTRADSS-LFVJCYFKSA-N	536.473	4.645	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(OCC)cc3)ccc3ccccc23)cc1	4330494	VGBPFIFODXRCCA-HNSNBQBZSA-N	539.588	4.737	50	50	KJGA	
CCOc1ccc(CCNC(=S)NNC(=O)c2ccc(COc3ccc(C)cc3C)o2)cc1OCC	20613820	HSGPZRKSLUETQK-UHFFFAOYSA-N	511.644	4.624	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1OC	2331544	YRKJFMAOQMMAQU-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4335853	RUTZIJXQNAMXEW-ZCTHSVRISA-N	524.529	4.663	50	50	KJGA	
O=C(CCCCC(=O)N/N=C/c1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N/N=C\c1ccccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	169683692	HUWPFBJXFLKWCW-HVCCMGDBSA-N	770.624	4.919	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4230185	JIUPCZBFBITYEA-FDAWAROLSA-N	547.011	4.711	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2	4259401	CAVNHTDLUIYCCU-AASYHSMQSA-N	549.649	4.726	50	50	KJGA	
COc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc(OC)c1OC	4282096	QPHWYYXOMMIXGO-IOTWTPRSSA-N	539.382	4.858	50	50	KJGA	
O=C(N[C@@H](C(=O)NN=Cc1cccc(Oc2ccccc2)c1)c1nnc(O)c2ccccc12)c1ccccc1	252679587	OPHOJMLXRQUCRA-HHHXNRCGSA-N	517.545	4.749	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)/C=C/c1ccccc1	2531338	JZENJWIWSYKEJQ-QSYKBLARSA-N	512.349	4.710	50	50	KJGA	
O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C/c1ccncc1	4528031	LXWKOXSRUJKBHH-DHRITJCHSA-N	594.194	4.939	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccccc1	4258920	QMMKDAKHOOUKEH-BIZUNTBRSA-N	550.571	4.564	50	50	KJGA	
CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1	2506250	YFYSFGKRIRMWRL-JFLMPSFJSA-N	527.371	4.848	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1	4230165	WRFXGFSODSMOCW-BIZUNTBRSA-N	525.609	4.607	50	50	KJGA	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[C@H](CSSC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)C(=O)O)C(=O)O	150347371	VQUILFZJHCQRPY-RNPORBBMSA-N	855.822	4.604	50	50	KJGA	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1	4354092	FHRLPZJMHSFZJU-KBVAKVRCSA-N	607.452	4.813	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc(Br)c3ccccc23)cc(Br)c1O	2839985	RKIYUOBLBCDCIX-AUEPDCJTSA-N	508.166	4.608	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2OC)cc1	4282662	OAALTNZPDVASNI-WJGWSCHNSA-N	527.371	4.603	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@H](Br)C[C@H]3C2=O)cc1)c1ccc(Br)cc1	150642381	URYVPMWFVFILFG-MKXGPGLRSA-N	628.111	4.915	50	50	KJGA	
C[C@@]1(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)CC1(Br)Br	2089798	IAXNDMZRIBPICY-SOOQXPQCSA-N	505.550	4.854	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1	2532087	XXRRQGIQUHAJHS-IPPBACCNSA-N	521.982	4.663	50	50	KJGA	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1	4229944	CUZHGJXOASYEGM-KBVAKVRCSA-N	516.001	4.862	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc(OC)c1OC	100743352	JAPAGKSLSNUPKD-VPHZGPCQSA-N	574.619	4.776	50	50	KJGA	
C[C@H](Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)C(=O)c1ccccc1	239328939	JVVXRYJQEKEHQJ-SJLBHJPWSA-N	547.243	4.619	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2OC)cc1	2542800	BZAGRRPRFDLLSD-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)ccc1O	2344463	FYFKFXHDMFFPRL-LQKURTRISA-N	517.611	4.598	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2544183	JHXVFLVYFVLNCW-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1	2543280	SKBQCFDTPATSJA-WCMJOSRZSA-N	515.953	4.601	50	50	KJGA	
COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(I)cc3)o2)c(Br)c1	2942040	QLBHWFLKDLAFML-FOKLQQMPSA-N	555.166	4.851	50	50	KJGA	
C=C[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)N1C(=O)OC[C@@H]1Cc1ccccc1	169836838	WCAZSXGSWIZXMN-FTJBHMTQSA-N	513.710	4.955	50	50	KJGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	4293233	VJMLQWKYNLTRMD-OKCVXOCRSA-N	530.378	4.702	50	50	KJGA	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(C)cc1	220959466	AAZIMJIAEDIOBE-VQTJNVASSA-N	537.947	4.777	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)ccc1O	2353577	UGFVFMQVUZTBJD-JFLMPSFJSA-N	508.003	4.934	50	50	KJGA	
O=C(N/C(C(=O)N1CCOCC1)=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	102312405	IVEJAXYMHTULKN-QVIHXGFCSA-N	536.568	4.658	50	50	KJGA	
C/C(=N\NC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)c1cccc(NC(=O)c2ccncc2)c1	8456091	FHHGWNSBAWMEDT-KCSSXMTESA-N	507.997	4.879	50	50	KJGA	
CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)/C=C/C(=O)N/N=C1/[C@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br	261490464	NUHNIPNJEMPNDO-HXCOOAQFSA-N	570.370	4.926	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2OCC)cc1	4292814	AVSSNYGFVUOGFU-KBVAKVRCSA-N	538.000	4.627	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccccc1Cl	239073247	GTWPKQTUKNICGD-JYUSNPHGSA-N	546.687	4.617	50	50	KJGA	
O=C(NNC(=S)NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2	2794076	XEAJGJUIONTLBA-AEFFLSMTSA-N	508.957	4.506	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1	2532069	GBHSEKFJRMCKFY-IPPBACCNSA-N	521.982	4.663	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1	4259367	ZGDBREFIYFIIJA-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)/C=C/C(=O)N/N=C1/[C@@H](Br)[C@@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br	253390205	NUHNIPNJEMPNDO-ZSPRORBKSA-N	570.370	4.926	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)c(OC)c1	2542445	IYACEWICJFADKL-LQKURTRISA-N	523.383	4.935	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccccc1[N+](=O)[O-]	2532248	DMQURIYYSBRCMI-HEOQCTJZSA-N	526.343	4.803	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2)cc1	4261267	KOVUWXDVHXXASU-BIZUNTBRSA-N	550.571	4.564	50	50	KJGA	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1	4282737	HELKWBZFDVAXKP-KBVAKVRCSA-N	516.001	4.862	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2OC)cc1	4283121	LGQHBNKFAIWHOV-MUFRIFMGSA-N	523.973	4.754	50	50	KJGA	
N#C/C(=C\c1cc(I)cc(I)c1O)c1ccc([N+](=O)[O-])cc1	33353366	INLMRUGHOYKJCC-VZUCSPMQSA-N	518.048	4.574	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1cccc(Br)c1	4329581	BUWNIVMZPSTPRU-WCMJOSRZSA-N	560.404	4.710	50	50	KJGA	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(N4CCOCC4)cc3)c3ccccc3n2)c(OC)c1	8450864	XVDAQSNEKAZRTQ-UZWMFBFFSA-N	510.594	4.910	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	102293435	AQJPPJUYYRPDSH-MUFRIFMGSA-N	546.992	4.962	50	50	KJGA	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1OC	2530392	BZMMOTAINKLBTE-JLOKSVCBSA-N	509.356	4.849	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253499353	FKOVEMMPJVJFPM-SZOCCFFASA-N	580.726	4.774	50	50	KJGA	biogenic
C[C@H](CCC(=O)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	1857525106	FKOVEMMPJVJFPM-ODFOSAQGSA-N	580.726	4.774	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccc(OC)cc2)cc1	2595727	IWKXTITXQLCUCZ-MZJWZYIUSA-N	568.453	4.662	50	50	KJGA	
Cc1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OC(C)(C)C)c(C[C@@H](Br)CBr)cc12	100703131	OEVFBMHIVYBXMM-CQSZACIVSA-N	547.240	4.541	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3I)cc2)cc1	2543128	SWOCWGYNERNPFE-MFKUBSTISA-N	514.319	4.673	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1	4259523	XNMPHBJINRQRHM-WCMJOSRZSA-N	515.953	4.601	50	50	KJGA	
COc1cc(/C(C)=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1ccc(Cl)cc1Cl	102269010	SIDMUSUJCWXRBO-IBBHUPRXSA-N	593.431	4.948	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	4335591	OAROTIOSPBHSRQ-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1	13882222	APWLBKHNDIULAS-HHHXNRCGSA-N	516.617	4.607	50	50	KJGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1	2553170	UKYSSCLLMNNFIU-CCVNUDIWSA-N	508.365	4.944	50	50	KJGA	
O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C/c1cccnc1	4528028	FKFVDSVKXHSTLS-DHRITJCHSA-N	594.194	4.939	50	50	KJGA	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1OCc1ccc(F)cc1	8568240	HZVLXCJWEZQWSC-QHCPKHFHSA-N	512.497	4.750	50	50	KJGA	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccccc2)cc1	2073389	AMZKTYSIDMAMRA-VULFUBBASA-N	522.428	4.953	50	50	KJGA	
O=C(Oc1ccccc1/C=N/NC(=O)c1ccccc1I)c1ccc(Cl)cc1	2542514	JXORABLOKVVYFQ-ZMOGYAJESA-N	504.711	4.928	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1	4287380	LSYKZLCNVQLOFW-JFLMPSFJSA-N	556.369	4.894	50	50	KJGA	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)c1	4292863	RHWMTBXPXSJBPC-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
CCCCOc1ccc(-c2n[nH]c3c2[C@@]2(C(=O)Nc4ccc(C)c(Br)c42)C(C#N)=C(N)O3)cc1	8854880	FEUZHDTZUHXGET-RUZDIDTESA-N	520.387	4.651	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2529696	MKZZHEYCVDIIGK-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1OC	2531528	HQLQSHLWTANEOX-XODNFHPESA-N	574.815	4.736	50	50	KJGA	
COc1ccc(NC(=S)NNC(=O)c2cccc(COc3ccc(Br)cc3)c2)c(OC)c1	2794568	DCYXCVPFSGMCGC-UHFFFAOYSA-N	516.417	4.677	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OC)c2)sc2c1CCCC2	4282405	DTCIMSGCELOEHU-FJEPWZHXSA-N	584.050	4.774	50	50	KJGA	
O=C(CCCCCCC(=O)N/N=C/c1cc(Br)ccc1O)N/N=C/c1cc(Br)ccc1O	4527728	OEXBNYIBGLPNRC-BKHCZYBLSA-N	568.266	4.564	50	50	KJGA	
COc1ccc([C@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC	659795	GPQGVXXSBJTFAZ-QHCPKHFHSA-N	518.570	4.870	50	50	KJGA	
N#CC1=C(N)N(c2ccc(Br)cn2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1	713929	FVPFGUSEZQFDDI-IBGZPJMESA-N	500.194	4.911	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2543333	PWVMVQKTRMMICX-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2OC)cc1	4282661	OAALTNZPDVASNI-ZXSUQFSISA-N	527.371	4.603	50	50	KJGA	
COc1ccccc1C(=O)Nc1c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)sc2nc(C)cc(C)c12	12446510	KCIUXFOXYCWNND-LGJNPRDNSA-N	503.540	4.846	50	50	KJGA	
COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccc(Br)cc3)[C@@H]2C)c(Br)c2c1OCO2	150402089	CXZJCVQCXRNTSD-RKAWKMIDSA-N	618.076	4.925	50	50	KJGA	
CC(C)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	150447639	QAPPVUHPVCRZLK-REUDKXAVSA-N	624.153	4.912	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	4293084	SYOJCHOWWPPEES-IBBHUPRXSA-N	558.418	4.890	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1-c1ccccc1	100613918	MSUNBBWAGXFBSG-WKULSOCRSA-N	612.506	4.974	50	50	KJGA	
O=C(NNc1nc(-c2ccccn2)nc2c1CCC2)c1nn(-c2ccc(Br)cc2)c2c1CCCC2	1875353145	KTLHLKUKCAETHR-UHFFFAOYSA-N	530.430	4.611	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)sc2c1CC[C@H](C)C2	2520247	MCCBCBDVWBTRHB-SSGLAOATSA-N	505.596	4.931	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1	2543737	KFDFWXNKYOGWCI-MUFRIFMGSA-N	546.377	4.919	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(OC)c1OC	2340536	MQJOCRHVHYROIH-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	2544421	NHPPHMQRXRQXDE-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
CC(C)c1ccc(N2/C(=N\C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1	253483625	LILDDRRYPNFADX-CSCLMATISA-N	515.060	4.584	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2)cc1	2544216	XRGMDNNDJOCWOR-JVWAILMASA-N	524.371	4.546	50	50	KJGA	
CCOc1ccc(CCNC(=S)NNC(=O)c2ccc(COc3cc(C)ccc3C)o2)cc1OCC	20613818	RIZAYACVQDZYEG-UHFFFAOYSA-N	511.644	4.624	50	50	KJGA	
N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(F)cc1F	1775975241	GDCSRAIUVIOZOR-NRFANRHFSA-N	519.323	4.713	50	50	KJGA	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1O	2311616	DNGKKRGIVAAHQV-JFLMPSFJSA-N	508.003	4.934	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1	4283491	LPFMVVXFMHUZQG-OKCVXOCRSA-N	552.425	4.646	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1	4327548	ZMUIFUSYXGQMRN-OCSSWDANSA-N	507.974	4.618	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2)cc(Br)c1O	51075483	YUWJCDABKXERBA-LGJNPRDNSA-N	525.428	4.804	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccccc21	2326880	YCVOOGQXVOVXBJ-UHFFFAOYSA-N	523.405	4.806	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)ccc1OC(C)=O	2239376	LHNQKVIVVOQJLL-CCVNUDIWSA-N	523.014	4.914	50	50	KJGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1	4261031	JJINSLFVQOIWRI-XQXQFYKFSA-N	524.327	4.505	50	50	KJGA	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1	4527786	SGSHINADGXKQIR-JTOYJDTJSA-N	622.634	4.523	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C)cc1	2543820	VIOLSYCYPNYZGS-LQKURTRISA-N	538.398	4.854	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4259771	LGEGSLMLBUACII-FDAWAROLSA-N	638.462	4.662	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)sc2c1CCCC2	4360155	YTALHWZSQMSJCK-WKULSOCRSA-N	554.024	4.765	50	50	KJGA	
Cc1ccc(S(=O)(=O)NCCC(=O)Oc2c(C[C@H](Br)CBr)cc3c(C)cc(=O)oc3c2C)cc1	6142059	OWOURHIUYVKGCN-SFHVURJKSA-N	615.340	4.693	50	50	KJGA	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)sc(C(=O)N(C)C)c1C	20294824	HNHYSVPPDRSJIN-CPNJWEJPSA-N	521.570	4.809	50	50	KJGA	
COc1cc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc4ccccc34)cc2)cc(OC)c1OC	2839902	NKSIQGVVDAZXJH-OCSSWDANSA-N	514.534	4.614	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1cccc([N+](=O)[O-])c1	2366321	YOUSFHKUWJFPAJ-AFUMVMLFSA-N	537.399	4.847	50	50	KJGA	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OC	1474950	JXUPNUQRQMHXFV-TURZUDJPSA-N	501.612	4.892	50	50	KJGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2c(F)c(F)c(F)c(F)c2F)c1	2114933	IHJIQLBAMBSPEF-MRXNPFEDSA-N	510.415	4.614	50	50	KJGA	
C[C@H](Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1)C(=O)c1ccccc1	239328941	JVVXRYJQEKEHQJ-WNUGEORGSA-N	547.243	4.619	50	50	KJGA	
CCN(CC)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(C)c3ccc(Br)cc32)cc1	245328138	RZXBSPAFCKNCFF-FAIMXCQZSA-N	574.479	4.563	50	50	KJGA	
Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1	2543856	KCNHBLXGYVQCPH-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
COc1ccc(N([C@H](C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1	100620389	HEQFCVFUSOLDBQ-FRDWBBKPSA-N	531.634	4.732	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(C)cc1	2518492	UMPUSNNQKVFINQ-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1OC	2531630	MIZIRCAKGDWWHR-CCVNUDIWSA-N	541.398	4.831	50	50	KJGA	
N#C/C(=C\Nc1ccc(S(N)(=O)=O)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	2906482	GDXVMKPOKBUYTP-DTQAZKPQSA-N	500.561	4.694	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)nnc2-c2ccc(C)cc2)cc1	1474524	IHBZVYVTSIHEPJ-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	4260890	ZZKHCUDMSUMHSC-ZCTHSVRISA-N	506.562	4.915	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2cccc(COc3ccc(C(C)(C)C)cc3)c2)cc1Cn1cnc([N+](=O)[O-])n1	101130306	BMEZHECBLXJZEF-WCMJOSRZSA-N	542.596	4.884	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(F)cc3)n2-c2ccccc2)cc1OC	9031483	CONYLYHKCOUQHC-OGLMXYFKSA-N	505.575	4.723	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1	1304944	SNOZTMNOPOIVPR-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(O)c(OC)c3)n2-c2ccc(C)cc2)cc1	1474470	SXBVFFGHKVGVKW-MTDXEUNCSA-N	517.611	4.598	50	50	KJGA	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3C(=O)O)nnc2-c2ccc(Cl)cc2)cc1	2300991	JBXYFFPVRYHQBO-MZJWZYIUSA-N	505.987	4.837	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1	4292973	XWRDNMUUUUBTHC-UVHMKAGCSA-N	544.789	4.728	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2)cc1	2543138	IIKSDXAFWPOTPE-JVWAILMASA-N	511.372	4.986	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1	4355498	VQLFJDSQRPLLFA-FJEPWZHXSA-N	572.843	4.991	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)/C=C/c1ccccc1	4232152	MGFXZBDXFZGSET-RNDQKWROSA-N	555.612	4.879	50	50	KJGA	
O=C(CCCC(=O)N/N=C/c1cc(Br)cc(Br)c1O)N/N=C/c1cc(Br)cc(Br)c1O	4527672	FPGMNJKOJSABAR-IQEGOQEASA-N	683.977	4.919	50	50	KJGA	
O=C(CCCC[C@H]1CCSS1)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F	585091591	GMQGFJRAMYKVOM-UMSFTDKQSA-N	954.105	4.568	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2cc(Br)cc(Br)c2N)ccc1OC(=O)c1ccccc1	4231463	IWDQLJZSTBPDLN-RPPGKUMJSA-N	547.203	4.786	50	50	KJGA	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)c1O	2338920	DMSWFAXZSIDCBQ-RWPZCVJISA-N	538.029	4.943	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)c(OC)c1	4292976	RQJBGUAZJGEZET-UXHLAJHPSA-N	518.566	4.579	50	50	KJGA	
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	2518728	OMHWWRZPACBVPQ-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)c1	2531641	HPFHAQGUIBKZIW-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccn1)c1cccc(F)c1	2900824	JFTPTNGGWFHKSP-OPEKNORGSA-N	521.140	4.729	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1OC	4327483	UFDKIRSWMMUKBW-KPGMTVGESA-N	637.430	4.561	50	50	KJGA	
COC(=O)/C(=C(\N[C@H](O)c1ccccc1)SC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102311569	XHWVYNDNMWPEDK-MUUNZHRXSA-O	514.607	4.966	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2-c2ccc(C)cc2)cc1	1261285	VYLDWNZJRXIFJS-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
N#CC(C#N)=C1c2cc(S(=O)(=O)NC3CCCCC3)ccc2-c2ccc(S(=O)(=O)NC3CCCCC3)cc21	1871821	IJLHCNLDNKQIPW-UHFFFAOYSA-N	550.706	4.738	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3cccc(Br)c3)n2-c2ccccc2)cc(OC)c1OC	1901380	IKNOVIDRRBUIDD-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)s3)n2-c2ccccc2)cc(OC)c1OC	2332113	UJPAAEWFIQCSAI-VULFUBBASA-N	523.640	4.572	50	50	KJGA	
CN1CC=C2C(C#N)=C(NC(=S)NC(=O)c3ccccc3)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@H]2C1	4486578	NBEMNJSDXJMLLW-GMAHTHKFSA-N	547.471	4.694	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)sc2c1CC[C@H](C)C2	2520360	QMIHAOAIGWGRLZ-NZEOBHLKSA-N	547.633	4.666	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)/C=C/c1ccccc1	4283562	XIYNCBBAJDIFPM-HJQAXPCSSA-N	523.383	4.994	50	50	KJGA	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccc(Br)cc1	150365013	NVHSGNSGYGZLKE-RRPFGEQOSA-N	640.122	4.771	50	50	KJGA	
CCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	239203350	SEUJXQZYAGZBCZ-XVMGYKCHSA-N	527.253	4.845	50	50	KJGA	
COc1ccc(Cl)cc1NC(=O)CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	239274832	ASSQXHACRQPAIS-LBCGREOCSA-N	576.713	4.625	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc(OC)c1OC	2366477	GDJMOKPITOBZGV-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
CCOC(=O)c1ccsc1NC(=O)/C(C#N)=C/c1ccc(OC)c(COc2ccccc2[N+](=O)[O-])c1	20169098	XQDVOELJWCDJTL-SFQUDFHCSA-N	507.524	4.966	50	50	KJGA	
C/C(=C(\CCOC(=O)C(C)C)SS/C(CCOC(=O)C(C)C)=C(/C)N(C=O)Cc1cnc(C)nc1N)N(C=O)Cc1cnc(C)nc1N	150338505	CKHJPWQVLKHBIH-ZDSKVHJSSA-N	702.904	4.688	50	50	KJGA	in-man
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl	2530365	GFIZTLFMAKFULM-OJKFRWHJSA-N	526.774	4.810	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(Br)cc2)cc1OC	2531501	MJFAVNNKWMRPJC-UVHMKAGCSA-N	592.240	4.977	50	50	KJGA	
C=C[C@@H](C)[C@H](OCOCCOC)[C@@H]1O[C@@H]1[C@H](O)CC[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C	169834764	RTZZKJSNABXFEF-QRCODTGVSA-N	514.852	4.994	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)c(OC)c1	1785504	YFBJCNCSYRTWET-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1	4259767	BZWMHOMUUNWGPE-QXUDOOCXSA-N	610.623	4.663	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)c1ccc(Br)cc1	239038397	DCBJFYQZKZNDIJ-JXYJOFSCSA-N	640.122	4.771	50	50	KJGA	
COc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	1140004	GNDYEHBHGKNNAA-OAQYLSRUSA-N	573.343	4.602	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1	4330519	LXAQRWLUYBXXIP-MUFRIFMGSA-N	524.415	4.697	50	50	KJGA	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1	4530332	KFROEQQTWDACMH-UXHLAJHPSA-N	561.664	4.991	50	50	KJGA	
COc1cc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc(OC)c1OC	4283449	UNFZYIFPOQWEAV-MHDJOFBISA-N	576.005	4.618	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)cc1	2339303	AGKUEOMJCWYHBH-OGLMXYFKSA-N	501.612	4.892	50	50	KJGA	
COc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)c([N+](=O)[O-])c1	12250256	BWDQNPHMTXOOJE-HSZRJFAPSA-N	512.975	4.914	50	50	KJGA	
Cc1cccc(NCC(=O)N/N=C\c2c(Br)cc(Br)c(O)c2Br)c1	100146603	ZALVUXKLRSHVKB-YXSASFKJSA-N	520.019	4.550	50	50	KJGA	
CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	226723179	HEEQJSKQFLSBQJ-MHORFTMASA-N	515.242	4.989	50	50	KJGA	
CCn1c(SCC(=O)N/N=C/C(Br)=C/c2ccccc2)nnc1-c1ccc(OC)cc1	2360773	VLFORTBWDDFVKG-ZRLAZVNZSA-N	500.422	4.604	50	50	KJGA	
COc1ccc(C(=O)NNC(=S)Nc2ccccc2OC)cc1COc1ccc(Br)cc1	2794557	YQOXZVIWFYADBV-UHFFFAOYSA-N	516.417	4.677	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2529723	UNEXMQYNNMBXGF-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)C(=O)Nc1nnc(-c2ccccc2)s1	2543934	GUIDBBHVFXQTOY-UVHMKAGCSA-N	584.839	4.929	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc(F)cc2)cc1OC	2544340	ZOLAFGGXYWNRFW-OKCVXOCRSA-N	502.498	4.744	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc(I)c1OC	2970939	JESLBPHPOAKZME-ZVBGSRNCSA-N	500.745	4.940	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)cc1OC	4347111	CUJZVPBBWHCRRB-WJGWSCHNSA-N	527.371	4.603	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1	2544506	KHXRHKGZWGSOPF-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
COc1cc(Cl)cc(C(=O)N(NC(=O)c2cc(Cl)ccc2OC)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	104060478	PLOKFCLYQJMZAA-UHFFFAOYSA-N	535.296	4.819	50	50	KJGA	
Cc1ccccc1OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21	245227504	HVZCWSOMQKBFGH-IIRMIYNPSA-N	553.501	4.862	50	50	KJGA	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C3/C(=O)Nc4ccccc43)n2-c2ccccc2)cc1	2348430	FBNUMBITXWCNNW-UHFFFAOYSA-N	510.623	4.797	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2OC)cc1	4354244	MOQRKQOSORTVIO-JFLMPSFJSA-N	527.371	4.605	50	50	KJGA	
COC(=O)c1cc(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)cc(B2OC(C)(C)C(C)(C)O2)c1	725326495	GISKSYCVGJHNDW-UHFFFAOYSA-N	530.546	4.849	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)c1	4302948	XWPQLKNLGYVAGP-HEOQCTJZSA-N	526.343	4.803	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2OCC)cc1	4326695	NQHVJAUXKDVNEC-RDRPBHBLSA-N	506.555	4.631	50	50	KJGA	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)c(OC)c1	2530549	KTBHKUCZPYAFSF-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1Cl	239309978	HZIPVPRIVKIIIQ-ZZFPVUGMSA-N	594.731	4.976	50	50	KJGA	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)c1ccc(Br)cc1	239165288	NVHSGNSGYGZLKE-JXYJOFSCSA-N	640.122	4.771	50	50	KJGA	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	1171930	ZTPBCXYEENWHJB-UIOOFZCWSA-N	527.602	4.897	50	50	KJGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12	2531279	BMBJWCAMTKBIDN-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	4259393	GQMAAXXPLFZCFN-OKCVXOCRSA-N	530.378	4.702	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccccc1[N+](=O)[O-]	4287231	DMQURIYYSBRCMI-JOBSNELWSA-N	526.343	4.803	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1	2531385	VMVFCZPTQKHFLQ-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1OC(=O)c1ccccc1	150352681	IYQWJBOHNIMEOY-OPEKNORGSA-N	622.182	4.776	50	50	KJGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)cc1Cl	2542643	NKDQDWYCRVEAHW-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
O=C(N/N=C/c1cccc(Br)c1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	4282840	XOCULDPEAZFQME-DHRITJCHSA-N	544.203	4.553	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2OC)cc1	2520168	AAINSAPOYQCDIU-ZCTHSVRISA-N	573.627	4.796	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1	2543290	DEHFHNHLAVLXJM-VTNSRFBWSA-N	529.980	4.991	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1nnc(-c2ccccc2)s1	4259061	FGMXMCILMKOHHH-STBIYBPSSA-N	521.558	4.666	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2530302	DZQOUDIOQUDDJY-XODNFHPESA-N	570.414	4.829	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	4355000	ANZAASCVKAOFMJ-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(OC)cc1	2531148	VTTQWJVPSDZLGM-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)c(OC)c2)c(OC)c1	4355067	FZIVJFQGXZASPR-MUFRIFMGSA-N	508.958	4.834	50	50	KJGA	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccc(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2c(=O)[nH]1	59595702	FWEFCBNJPBEXLW-OQKWZONESA-N	548.628	4.624	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)cc2)cc1	4259200	CKLKCBSHCFLVON-OCSSWDANSA-N	507.974	4.618	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)nnc2-c2ccccc2)cc1	100853471	UIGSANHPETUNRJ-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1	2543788	VUEMNEWSJXLKJF-WCMJOSRZSA-N	560.404	4.710	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccccc3)n2-c2ccccc2)cc(OC)c1OC	8575765	LBRMLRMOLBNGMV-MTDXEUNCSA-N	517.611	4.593	50	50	KJGA	
NNC(=O)/C(NC(=O)c1ccccc1)=C(\c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102311549	JWPGUXCUJZOQBP-MVJHLKBCSA-O	542.599	4.769	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(=O)c1ccccc1	4230224	FCLVSQSHMRRQBV-NDZAJKAJSA-N	543.601	4.788	50	50	KJGA	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	239433741	YJZJOGRQJZRRQX-DUBKGGGGSA-N	562.258	4.584	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)cc1	4282998	DFERCFUJXCGMHU-FMFFXOCNSA-N	580.597	4.654	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/C=C\c3ccccc3)n2-c2ccccc2)cc(OC)c1OC	4468604	FQHXOHFAYDIZFG-QEOJRUQISA-N	529.622	4.868	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	102316058	QWPBPZSDPKINSB-UVHMKAGCSA-N	545.231	4.671	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	2519915	NFMPPVJUNKOZOR-ZCTHSVRISA-N	520.545	4.555	50	50	KJGA	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(OC)cc2)c1O	8914426	YVWLOSQTZVRXLZ-LQKURTRISA-N	517.611	4.598	50	50	KJGA	
N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@@H]1c1ccc(OCc2ccccc2)cc1	12276861	FHDBIKDKSKRFJY-HSZRJFAPSA-N	514.563	4.884	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)nnc2-c2ccc(C)cc2)cc1	1474550	VQEKOEOVCDJTGI-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Br)n2-c2ccc(OC)cc2)cc1	1874600	CWIXWYFVQQRBMW-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccccc3)cc2)cc1	2520326	OZJTXNOLPXIHCV-ZCTHSVRISA-N	520.545	4.555	50	50	KJGA	
O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cc(Br)cc(Br)c1O	4209931	HSTRXBIXJLNLLF-HCGXMYGOSA-N	545.640	4.665	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)sc2c1CC[C@@H](C)C2	4282899	RYVRKIMRSMQPHP-FTQFDPMJSA-N	513.019	4.648	50	50	KJGA	
O=C(c1nc(-c2ccccc2)sc1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)N1CCOCC1	100734406	RQFZFOATGHRTJG-UHFFFAOYSA-N	535.629	4.902	50	50	KJGA	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@@H](C)Sc2nnc(CNc3ccc(I)cc3)n2-c2ccccc2)c1O	150391695	HTRNYRUBXGEIRQ-ZJIVOUCISA-N	673.493	4.737	50	50	KJGA	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2	1209858	ODIWLIOSMLUVAX-GOSISDBHSA-N	516.193	4.689	50	50	KJGA	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	3116459	IVKKFXJWFXTUQL-DHRITJCHSA-N	534.737	4.693	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)nnc2-c2ccccc2)cc1	101503427	KVOLWIDKPIOXMH-OCSSWDANSA-N	575.647	4.518	50	50	KJGA	
COC(=O)c1sc2cc(NC(=S)NNC(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)ccc2c1Cl	1121835	GNHNAQJIYZZPCI-GFCCVEGCSA-N	504.033	4.615	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)cc1	2520144	YBTCACLEBUKJEN-OKCVXOCRSA-N	529.984	4.936	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2544152	AJAVSQNIFBWXDJ-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1	2544256	NPPVVFRHJNBJJE-UXHLAJHPSA-N	511.534	4.555	50	50	KJGA	
O=C(Oc1c(Br)cc(Br)cc1/C=N/NC(=O)c1ccccn1)c1ccccc1	2898239	DZJQBKFWGHTSIR-WYMPLXKRSA-N	503.150	4.590	50	50	KJGA	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)n1	109648112	GGCRNRAWJZADCY-BHGWPJFGSA-N	530.404	4.586	50	50	KJGA	
COc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)c1	2544246	VUJUWRMHSSNPRB-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
Nc1c(Br)cc(Br)cc1C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	4231465	PUJHVKIPKIGHFN-BRJLIKDPSA-N	517.177	4.777	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(OCCC)cc3)cc2OC)cc1	4327474	LNIBEHXQTRZCDF-FMFFXOCNSA-N	561.635	4.762	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OC(=O)c1ccc(C)cc1	2597732	SHCHTZCJMWIBEX-AFUMVMLFSA-N	514.319	4.591	50	50	KJGA	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	4283556	ODEKNITZIHFCHI-MZJWZYIUSA-N	507.955	4.871	50	50	KJGA	
C/C(=N\NC(=O)[C@@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccccc2C)cc1	8399690	RVLWFDUQLOTFAE-UMFTVLFGSA-N	507.226	4.984	50	50	KJGA	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1cccnc1	9197724	LKFSCUMUTJLXGP-WGOQTCKBSA-N	507.417	4.724	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(OC)cc2)cc1	4330523	UNYDLFCGGHHFEP-LQKURTRISA-N	554.397	4.555	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](O)c2ccccc2)cc1	4335781	TYWKMVBLJXFOPJ-PVPASAESSA-N	511.372	4.641	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)[C@@H](C)Oc2ccc(F)cc2F)sc(C)c1-c1ccccc1	20294056	YBGDXWNLFHDGRZ-GFCCVEGCSA-N	505.568	4.573	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Br)c3)n2-c2ccccc2)cc1	2353020	BTEOTWNGTPGHEW-CVKSISIWSA-N	522.428	4.948	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	2531765	PIKRIHBRNHPYSR-VULFUBBASA-N	542.342	4.504	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c(OC)c1OC	13205673	GLCPACQMPISODB-RWPZCVJISA-N	504.612	4.661	50	50	KJGA	
O=C(CCn1cnc(-c2ccccc2)c1-c1ccccc1)N/N=C1/C(=O)Nc2ccc(Br)cc21	1259936	MYRGCMCWJSATCC-UHFFFAOYSA-N	514.383	4.842	50	50	KJGA	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1	2531196	UXDJXMAQKQPGMJ-ZCTHSVRISA-N	508.530	4.963	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C	823223231	IJKPEDMDYLWPMU-LSZOQGJSSA-N	557.688	4.917	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)n2-c2ccc(C)cc2)cc1	1474488	CZPDONZYHMRXDD-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccc(Cl)cc1	2531200	LUUNNHJKEIZJOE-IPPBACCNSA-N	523.014	4.828	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1	2543272	YPFJXPCWHBOPQB-UXHLAJHPSA-N	511.534	4.555	50	50	KJGA	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	2531649	KYAHSAIJYJBBDK-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	4261107	MGFXLEOEIBQIKR-JHVUUCOQSA-N	509.356	4.606	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)c(OCC)c2)cc1	4292432	MJKOJOOECMTJQF-KBVAKVRCSA-N	538.000	4.627	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2OCC)cc1	4302553	CNWCBDNSBBRJKH-MUFRIFMGSA-N	523.973	4.754	50	50	KJGA	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1	1755242	WKIZBJYDXSWXHS-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
Cc1cc(Br)c(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(C)c3c(C)cc([N+](=O)[O-])cc32)c1Br	107124952	PQFKKYCDXCJHEK-XHPQRKPJSA-N	582.249	4.736	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)sc2c1CCCC2	4292357	NMUGWAMHBIOBKQ-KDHIOTRTSA-N	575.643	4.520	50	50	KJGA	
O=C(CCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O)N/N=C\c1cc(Br)ccc1O	101123449	CSDWZJVQHVOMGO-ASYRIYPMSA-N	582.293	4.954	50	50	KJGA	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C/c1cc(Br)ccc1O	2319894	MRCILVCWECNJBM-AFUMVMLFSA-N	508.401	4.645	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	2532008	YHOCTJOSWTWCTE-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2Cl)cc1OC	2542836	IVZVQVNBMGTWFL-UVHMKAGCSA-N	547.789	4.868	50	50	KJGA	
CO[C@@H]1[C@H](O[C@@H]2[C@H](OC(C)=O)CO[C@H](Sc3ccccc3)[C@@H]2OC(C)=O)O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC	169834629	HWYGRRQODGUGMF-HSRWDSPLSA-N	614.830	4.549	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(=O)c1cccc(Br)c1	2553505	DHEHMCOBRYBPSB-UVHMKAGCSA-N	544.789	4.728	50	50	KJGA	
COc1c(Br)c([C@H]2ON=C(C(=O)N/N=C/c3ccc(Br)cc3)[C@@H]2C)c(Br)c2c1OCO2	150402099	CXZJCVQCXRNTSD-SZHJJYQMSA-N	618.076	4.925	50	50	KJGA	
COc1ccc(NC(=S)NNC(=O)c2cccc(COc3cccc(Br)c3)c2)c(OC)c1	2794441	YYVSTRSGELGEFL-UHFFFAOYSA-N	516.417	4.677	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1OC	4330860	NYYDFJMYLRJSAH-PJAVDKHJSA-N	572.368	4.511	50	50	KJGA	
COc1cc(/C=N/NC(=O)Cc2nnc(NC(=O)c3ccccc3C)s2)cc(I)c1OCc1ccccc1C#N	150405288	MWYGHYMQTXYDAZ-IBBHUPRXSA-N	666.501	4.856	50	50	KJGA	
CCOP(=O)(N[C@H](N[C@H](NC(=O)c1ccccc1)C(Cl)Cl)C(Cl)(Cl)Cl)OCC	101022479	RKECLUBGLGHVFL-JSGCOSHPSA-N	515.589	4.603	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2ccc(COc3c(F)c(F)c(F)c(F)c3F)cc2)cc1Cn1cc([N+](=O)[O-])cn1	2754214	QZFYZTPPNPSKJT-QILCKVHPSA-N	575.450	4.887	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	4209449	CJJUNYOUJSLPRK-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
N#CC1=C(N)n2c(s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c2=O)=C(C#N)[C@H]1c1ccc(OCc2ccccc2C#N)cc1	150385687	FPWFVWBGLZMHQD-IOBQLKEQSA-N	644.716	4.763	50	50	KJGA	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4Cl)ccc32)cc1	1857798727	IAGLBGKYKROFHU-QFIPXVFZSA-N	531.373	4.766	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(O)c1	1835866	ZNOBGLPFQARKLL-MTDXEUNCSA-N	500.628	4.729	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2OCC)cc1	4295696	PJQUAWXNDUGHCL-LQKURTRISA-N	541.398	4.995	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccccc1Cl	239073249	GTWPKQTUKNICGD-VNUXUXBQSA-N	546.687	4.617	50	50	KJGA	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1	705875	MMYOQVNGXXIULM-HXUWFJFHSA-N	525.428	4.750	50	50	KJGA	
COc1ccc(CCC(=O)N/N=C(\C)c2ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1	20158108	BKVSUFCCBMGBNR-IURWMYGYSA-N	507.406	4.940	50	50	KJGA	
CC[C@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)n1nnc(-c2ccc(Cl)cc2)n1	1875352139	VCVBLAHKYTWKLN-GOSISDBHSA-N	502.888	4.564	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O	253499352	FKOVEMMPJVJFPM-SFFJKZAASA-N	580.726	4.774	50	50	KJGA	biogenic
COc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1cccc(Br)c1	2521651	CSIIKVFZKAQFBS-IPPBACCNSA-N	581.448	4.578	50	50	KJGA	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	150353367	FFAIDENVRHNFBC-KLPHOBTLSA-N	683.737	4.990	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)COc2cc(C)ccc2Cl)sc(C)c1-c1ccccc1	20357279	QCTJHYPMJZRMPD-UHFFFAOYSA-N	504.033	4.869	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)ccc1OC(C)=O	2266219	JEGMUSASYDVZKP-RWPZCVJISA-N	536.013	4.764	50	50	KJGA	
Cc1ccc(COc2ccc(-c3cc(C(=O)N/N=C4/C(=O)Nc5ccc(Br)cc54)n[nH]3)cc2)cc1	2687490	NGOPNOUEICGGHX-UHFFFAOYSA-N	530.382	4.813	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1	4330487	BHLAOPPDWICTMS-MZJWZYIUSA-N	511.372	4.823	50	50	KJGA	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)ccc1O	13898652	GLMYZHFCPXUJNZ-JVWAILMASA-N	508.003	4.934	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1	2531313	YDOGKSCBYUWYST-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1	2532090	MAHHCHBDLDLWBJ-VFLNYLIXSA-N	509.946	4.793	50	50	KJGA	
COc1cc(/C=N/NC(=O)CCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1	4527776	CLGXRAYMHBCZGW-JTOYJDTJSA-N	622.634	4.523	50	50	KJGA	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1[N+](=O)[O-]	8456193	ABUOYNJHOFLQBW-LJAQVGFWSA-N	629.695	4.771	50	50	KJGA	
O=C1OC(=O)c2cc(Oc3ccc(S(=O)(=O)c4ccc(Oc5ccc6c(c5)C(=O)OC6=O)cc4)cc3)ccc21	109865319	JTGUJKCJYIPEKA-UHFFFAOYSA-N	542.477	4.725	50	50	KJGA	
NS(=O)(=O)c1cc(Cl)cc(CCSSCCc2cc(Cl)cc(S(N)(=O)=O)c2Cl)c1Cl	263619486	YWTCBGGGNYOXOQ-UHFFFAOYSA-N	570.394	4.762	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1	2532243	IABVCKXEKTZSDS-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
Cc1ccc2c(c1)/C(=N/NC(=O)COc1c(Br)c(C)cc(Br)c1C(C)C)C(=O)N2	100321607	QHFTUULPQJLJOE-UHFFFAOYSA-N	523.225	4.803	50	50	KJGA	
O=C(N/N=C/c1cc(I)cc(I)c1O)c1ccc(Cl)c(Cl)c1	106611394	UMOCRYPPVFKIKG-KPSZGOFPSA-N	560.944	4.672	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C	823223232	IJKPEDMDYLWPMU-WFRSUTHKSA-N	557.688	4.917	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1	239173958	OZWGRPGCTZWAKE-DNLMCPORSA-N	546.687	4.617	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(C)cc3)cc2)cc1	4259572	NZDUUMKPNUERGJ-BIZUNTBRSA-N	550.571	4.564	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])c1	4335818	JBIUJUMLWNKHOL-JOBSNELWSA-N	526.343	4.803	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@@H](C)C2	4282934	VPPCHYNVMQAXQO-IUUQDGFPSA-N	519.623	4.717	50	50	KJGA	
CCOP(=O)(N[C@@H](N[C@@H](NC(=O)c1ccccc1)C(Cl)Cl)C(Cl)(Cl)Cl)OCC	101022490	RKECLUBGLGHVFL-TZMCWYRMSA-N	515.589	4.603	50	50	KJGA	
COc1ccc(OC)c(-c2cc(C(=O)N/N=C/c3cc(OC)c(OC)cc3OC)c3ccccc3n2)c1	2103738	VKSFOWRDLYDHON-MUFRIFMGSA-N	501.539	4.709	50	50	KJGA	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccc(C(=O)NNC(=O)c4ccc(NC(=O)c5cccc(C)c5)cc4)cc3)cc2)c1	150342927	WZBYEKNDLOTRKP-UHFFFAOYSA-N	668.710	4.958	50	50	KJGA	
CSCC[C@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	239046664	FWQJCEAJPHLFQR-IAGMXTLDSA-N	649.401	4.979	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)n2-c2ccccc2)cc1	2532515	AWWLTDRKYQKZFB-MZJWZYIUSA-N	568.453	4.662	50	50	KJGA	
O=C(N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@H](O)c1ccc(Cl)cc1Cl)c1ccncc1	18204217	YBDXCIONGCJFGM-ZDKKOKEMSA-N	502.745	4.558	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1OC	1240372	MWJDTIKJUOOZIU-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(C)cc1	2518729	VCJFCULAZHEACI-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	4210846	OHSBPCYTECKESE-XODNFHPESA-N	592.482	4.865	50	50	KJGA	
O=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)C(=O)Nc1nnc(-c2ccccc2)s1	4210856	LATWNIQZVMXRGM-VULFUBBASA-N	536.411	4.635	50	50	KJGA	
C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1	8456050	CZLGMTXOOFXPPF-MZJWZYIUSA-N	532.826	4.624	50	50	KJGA	
COc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc(OC)c1OC	4282476	IDBDOOIXMXYHHZ-MZJWZYIUSA-N	527.371	4.766	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc2c1CC[C@@H](C)C2	20568543	AOVYXLYUYMKTLJ-LLVKDONJSA-N	516.085	4.703	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2)cc1	4259724	DPAMOJBWWIZLJD-OCSSWDANSA-N	507.974	4.618	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1	4259785	ONHUUBWMLGHVDI-HNSNBQBZSA-N	568.561	4.785	50	50	KJGA	
COc1c(I)cc(I)cc1/C=N/NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1	150347428	CSHSNVZVBFPWQV-HHZNUBPLSA-N	657.271	4.887	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC(=O)c1cccc(Br)c1	2571673	NVMQNCSTYKQCRZ-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1	2543770	QLXDRXMSRNVKFP-IPPBACCNSA-N	544.833	4.960	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1	4327219	AHTGMLBDWGOILG-VFKGCLKRSA-N	535.553	4.919	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3ccc(Cl)cc3Cl)c2)cc1	4330965	NHWGCYUCVCMILV-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	2530644	XMINCEBTDMMLOV-WYMPLXKRSA-N	502.708	4.994	50	50	KJGA	
O=C(Oc1ccc(/C=N/NC(=O)c2cnccn2)c(OC(=O)c2ccc(Cl)cc2)c1)c1ccc(Cl)cc1	731271	ISCQQFKXOHAEKS-XAZZYMPDSA-N	535.343	4.986	50	50	KJGA	
COc1cc(C(=O)Oc2cccc(/C=N/NC(=O)COc3cccc4ccccc34)c2)cc(OC)c1OC	2692564	GOUZYLHNQIMYQQ-OCSSWDANSA-N	514.534	4.614	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2OCC)cc1	4293237	XFIHOTZIOJZQHP-LQKURTRISA-N	554.397	4.555	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1	4282623	CGLXFVOXUJSQKM-STBIYBPSSA-N	526.574	4.617	50	50	KJGA	
Cc1ccc(NCC(=O)N/N=C\c2c(Br)cc(Br)c(O)c2Br)cc1	59826853	WLFDVSJZNPXPPX-YXSASFKJSA-N	520.019	4.550	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2529666	QWPIOIRVSZTXCA-XKJRVUDJSA-N	534.783	4.755	50	50	KJGA	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(C)cc1	4282903	ZYKLHBPJFAVGEH-LQKURTRISA-N	535.398	4.663	50	50	KJGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	2543301	FDPSBINSYZEQNB-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1OC	2695909	DZONDTVRPZRAET-MZJWZYIUSA-N	553.000	4.756	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	2543168	GIFZNYYCDVUCIE-DHRITJCHSA-N	545.187	4.520	50	50	KJGA	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)C(Oc1ccccc1)Oc1ccccc1	2900156	VHDQFYWMNHBXTR-ZMOGYAJESA-N	520.177	4.851	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1	4287338	PPCOWIPUSASRLN-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2c(F)c(F)c(F)c(F)c2F)c1	2114935	IHJIQLBAMBSPEF-INIZCTEOSA-N	510.415	4.614	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1	2531885	ISUICWMFIJSZJP-IPPBACCNSA-N	558.816	4.601	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2584768	MZJXTTHNWOQEBG-RPPGKUMJSA-N	518.309	4.659	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)CC(=O)N/N=C/c3ccc(OC(=O)c4cccc(C)c4)c([N+](=O)[O-])c3)cc2[N+](=O)[O-])c1	150350634	ZTUDICGRYPVDQO-WKCPDWHCSA-N	666.603	4.549	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1	2543305	DOQXTPVVRSOIEH-OCSSWDANSA-N	551.584	4.675	50	50	KJGA	
C=CCc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(OC)cc1	2544039	KBDQMLCAWKCSHL-LQKURTRISA-N	523.383	4.935	50	50	KJGA	
COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)c2cc(Cl)ccc2OC)cc1OC	150363837	CSYZJNMTUYGAGU-MWBNBJEGSA-N	685.130	4.868	50	50	KJGA	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	239433743	YJZJOGRQJZRRQX-SDZVZFPISA-N	562.258	4.584	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(C)cc1	2518530	QBUXKQAXHDSDRT-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(OCCC)cc3)cc2)cc1	4330935	URIQMANHUNQZJA-UZWMFBFFSA-N	531.609	4.754	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	4327314	AILSWFXYIHRPEV-FJEPWZHXSA-N	528.392	4.882	50	50	KJGA	
Cc1ccc(S(=O)(=O)NCCC(=O)Oc2c(C[C@@H](Br)CBr)cc3c(C)cc(=O)oc3c2C)cc1	6142060	OWOURHIUYVKGCN-GOSISDBHSA-N	615.340	4.693	50	50	KJGA	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1082926406	ZLUUPZXOPGORNG-NZRMXGAPSA-N	784.394	4.916	50	50	KJGA	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3O)nnc2-c2ccccc2)cc1	2300980	ODTXQCRRUHLJIU-VULFUBBASA-N	522.428	4.953	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2OCC)cc1	4287473	BGFLMHOCFCJASU-KBVAKVRCSA-N	538.000	4.627	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(Br)c1	4292348	ROOQYANIZMESEL-NXYZXBHKSA-N	542.342	4.503	50	50	KJGA	
N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@@H]1c1ccc([N+](=O)[O-])s1	12428468	MBRXXOUKXIKLMP-SFHVURJKSA-N	505.434	4.888	50	50	KJGA	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2)ccc2ccccc12	2542902	XHNSAWIMJNFVEN-IBBHUPRXSA-N	503.917	4.732	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC(C)=O)c(OC)c3)n2-c2ccc(Cl)cc2)cc1	100851916	RIWBMFKITOHORC-FJEPWZHXSA-N	596.065	4.781	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	823223226	IJKPEDMDYLWPMU-JBEXGXLRSA-N	557.688	4.917	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OC(=O)c1ccc(Cl)cc1	4261112	WGRLMPGLDDKZGV-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
Br[C@H]1CC2C3C[C@@H](Br)[C@H](Br)CC2C3C[C@H](Br)C12OCCO2	104306815	HDLGCJXUEHUUDW-BBNZDQOVSA-N	551.939	4.850	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)sc2c1CCCC2	4258643	OTIBPOXSSDODNK-KBVAKVRCSA-N	522.586	4.960	50	50	KJGA	
N#C/C(=C\c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1)c1nn(-c2ccccc2)c(N)c1C#N	29492443	WZNUEKOWWMKZNQ-LTGZKZEYSA-N	534.555	4.764	50	50	KJGA	
CCOC(=O)c1sc(NC(=S)NNC(=O)[C@H](C)Sc2nc3ccccc3s2)c(C(=O)OCC)c1C	59602982	UMSILCVOEPOLPM-LBPRGKRZSA-N	552.725	4.518	50	50	KJGA	
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl	59603224	VZYDMCUKBPTAQY-UHFFFAOYSA-N	545.086	4.906	50	50	KJGA	
COc1ccc(N([C@@H](C)C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1	100620383	HEQFCVFUSOLDBQ-DDBXXPGKSA-N	531.634	4.732	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3c[nH]c4ccccc34)n2-c2ccccc2)cc(OC)c1OC	1211223	WYESVFQQFHUQAU-OKCVXOCRSA-N	542.621	4.684	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1	4282298	JGDCFVNVDLHOIJ-OCSSWDANSA-N	599.425	4.569	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	4231867	GVAMOMDEPSFDSZ-YZSQISJMSA-N	505.577	4.532	50	50	KJGA	
O=C(N/C(C(=O)N1CCOCC1)=C(/Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	102311181	FNWDRXGIBZOWLB-FLWNBWAVSA-O	556.022	4.677	50	50	KJGA	
COc1ccc(S(=O)(=O)N(CC(=O)NN=C2CCCCCCC2)c2cc(C)cc(C)c2)cc1OC	714519	XARIDUNERYEEGD-UHFFFAOYSA-N	501.649	4.732	50	50	KJGA	
CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)/C=C/C(=O)N/N=C1/[C@@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@@H]2Br	261490463	NUHNIPNJEMPNDO-HWXHWIPQSA-N	570.370	4.926	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1	2542865	QYOIEWGXHGNXPF-WCMJOSRZSA-N	515.953	4.601	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc(Br)ccc1OCc1ccccc1	4282210	IDFDMZKBBINQON-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)c1	2531616	XWPQLKNLGYVAGP-JOBSNELWSA-N	526.343	4.803	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc1OC	2542890	ZERFDIDARJOYLC-KPGMTVGESA-N	545.979	4.610	50	50	KJGA	
CCc1cc(CC)c(Cc2c(CC)cc(CC)c(/C=N/NC(N)=O)c2CC)c(CC)c1/C=N/NC(N)=O	8780889	KCICMFRHMVDYIP-CBLSGYJOSA-N	506.695	4.656	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)c(O)c1	100858359	LIGCVETWNCYJKM-UXHLAJHPSA-N	560.680	4.746	50	50	KJGA	
COc1cc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC	714784	NFBOGPPHORNBJC-DEOSSOPVSA-N	516.623	4.829	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3OC)n2-c2ccccc2)cc1	1879994	KLXNYKVURNSWAH-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1	2506471	VZTSRDWBQAICBS-MZJWZYIUSA-N	506.335	4.530	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl	2569213	AQVZVHSXDRPESQ-RPPGKUMJSA-N	518.309	4.659	50	50	KJGA	
COc1cccc(NC(=S)NNC(=O)c2ccc(OC)c(COc3ccc(Br)cc3)c2)c1	2794662	KKCUKVUWLMGCKC-UHFFFAOYSA-N	516.417	4.677	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)n2-c2ccc(C)cc2)cc1	1297972	OIKDRSKUDCOBDP-VUTHCHCSSA-N	529.622	4.809	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1	2542488	ACYXQWQWMSXWHG-OJPXDDBDSA-N	513.506	4.893	50	50	KJGA	
CCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1	239305865	GCIKBNPTOHPCSJ-XVMGYKCHSA-N	527.253	4.845	50	50	KJGA	
O=C(N/N=C/c1c(OCc2cccc(Br)c2)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCOCC1	4210252	ABXADUWXDYTSJU-HNSNBQBZSA-N	615.484	4.743	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2OC)cc1	4287093	CDCNRKNVVABYPQ-KCSSXMTESA-N	607.685	4.909	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1OC	1474972	XLNAUSYSWIYCDA-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1)c1ccc(Cl)cc1	4366038	WJQMUOCOXHBMLP-ZMOGYAJESA-N	504.711	4.928	50	50	KJGA	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1	100340242	FBUGSAVDVYBQSY-RDRPBHBLSA-N	547.637	4.601	50	50	KJGA	
Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C	101122983	LIKHCVJHUCMYOT-OQKWZONESA-N	545.559	4.791	50	50	KJGA	
CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3ccc(NC(=O)c4ccccc4)nc3=O)C(=O)[C@@H]2O[Si](C(C)C)(C(C)C)O1	196654171	PFHWTBRJUMYWNJ-AVPJRLCVSA-N	587.822	4.919	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)cc2)cc1	4230174	OADYFCAGACEGQR-UZWMFBFFSA-N	531.609	4.754	50	50	KJGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1	2542574	FJIIWHBECNMZPK-MZJWZYIUSA-N	507.955	4.871	50	50	KJGA	
C[C@@H](CCC(=O)NN=C1C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	1857525105	FKOVEMMPJVJFPM-MAYARNBJSA-N	580.726	4.774	50	50	KJGA	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	100476908	MOUOSMXZGNIUPQ-WLQSQNADSA-N	525.477	4.684	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1OC	1474899	WUZQTJFASDNHLD-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1	4527803	NFZFYSNDLKHBFT-FXBANDFYSA-N	696.713	4.930	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)n2-c2ccc(Cl)cc2)cc1	1298139	FBPKKAAHMJCRKR-WKULSOCRSA-N	568.055	4.865	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(C#N)[C@H]2c1ccco1	2697941	IQQGHMBOLGZNNJ-SANMLTNESA-N	580.732	4.891	50	50	KJGA	
CC(C)(C)C(=O)OC[C@H]1O[C@H](Br)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C	100057578	BSDBCYHGMPHOAL-SFFUCWETSA-N	579.525	4.569	50	50	KJGA	in-vitro
CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc(Br)c1OCc1ccc(F)cc1	102268949	BIZPLUXHKFHGJG-XAZZYMPDSA-N	621.427	4.543	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2scc3c2NC(=O)C3(c2ccccc2)c2ccccc2)cc(OC)c1OC	685943946	PASLTSXLFLDKHX-OKCVXOCRSA-N	527.602	4.824	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3[N+](=O)[O-])n2-c2ccc(Cl)cc2)cc1	1895815	XFMNSXWRGNLJAO-VULFUBBASA-N	522.974	4.747	50	50	KJGA	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	2531185	YTUQISKEVASTPN-ZCTHSVRISA-N	508.530	4.963	50	50	KJGA	
O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	4261010	XSQDWCSMCRCFKQ-LQKURTRISA-N	515.367	4.943	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)sc2c1CC[C@@H](C)C2	4327213	RPDBSNKGRIDBAS-XRIHRDKGSA-N	589.670	4.766	50	50	KJGA	
COc1ccc(C=NNC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1COc1ccc(NC(C)=O)cc1	252679442	MOVQAPQQPLRLJS-UHFFFAOYSA-N	536.803	4.934	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	2584947	AKIMKYPPUCLBBB-WYMPLXKRSA-N	502.708	4.994	50	50	KJGA	
CCc1c(C)sc(NC(=S)NNC(=O)COc2c(Cl)cc(Cl)cc2Cl)c1C(=O)OC	20191483	LTLRZYDDGGBXFW-UHFFFAOYSA-N	510.852	4.762	50	50	KJGA	
CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1	97946741	PWEXLINQMRYWMW-SILNSSARSA-N	522.590	4.503	50	50	KJGA	
O=C(OC[C@H](Br)CBr)[C@H](Br)[C@@H](Br)c1ccccc1	104100772	AJFWWQOEPPDCKX-OUAUKWLOSA-N	507.842	4.588	50	50	KJGA	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1)c1ccc(Br)cc1	2842416	LOLIGTQWTFKFPH-BKHCZYBLSA-N	528.204	4.739	50	50	KJGA	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	239425704	VASKOMIOHAYDFL-KSCVBYKOSA-N	520.177	4.544	50	50	KJGA	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1	2379932	ACLGIMZYLCZKOF-DHRITJCHSA-N	531.204	4.879	50	50	KJGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(OC)c1	2542570	YIYOPUYLNNBBKI-CCVNUDIWSA-N	537.981	4.880	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1	239038548	DKEUBAULYQWYLO-DNLMCPORSA-N	591.138	4.726	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1	2531792	LXCJIVXHNMTNPN-IPPBACCNSA-N	558.816	4.601	50	50	KJGA	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1	2860072	KQWADSLZHJRVOY-BKHCZYBLSA-N	528.204	4.739	50	50	KJGA	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@H](c3cnc4ccccc4n3)C3=C2CC(C)(C)CC3=O)s1	12401698	SHCYQLDOSAHVEJ-HXUWFJFHSA-N	503.657	4.923	50	50	KJGA	
Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c2)cc1C	239412544	SVALYKHADIPAPW-YQLZSBIMSA-N	589.280	4.625	50	50	KJGA	
CCOc1ccc(N(CC(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1	2972410	FOGZIRDJIUJOKS-LQKURTRISA-N	593.931	4.913	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1	5947223	SUCYUVBTUNOKNJ-OGLMXYFKSA-N	536.430	4.636	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1	19898984	QOKZDRFAKYYXGY-DNQXCXABSA-N	510.594	4.588	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc(OC)c1OC(C)=O	100328950	HCXRQEJQCLLAIU-WKULSOCRSA-N	610.490	4.882	50	50	KJGA	
CC(=O)Nc1ccc(S(=O)(=O)N2[C@H](C(=O)c3ccccc3)C(N)=C(C#N)[C@@H]2c2cccc(Cl)c2Cl)cc1	226845929	LHEXJCIHIOONRN-DQEYMECFSA-N	555.443	4.685	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)n2-c2ccc(Cl)cc2)cc1	2337454	LJPQTBMCSRURKC-MZJWZYIUSA-N	521.986	4.537	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2c1CCCC2	4209595	JZYIBJDUTCFKDL-FJEPWZHXSA-N	512.570	4.579	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)sc2c1CC[C@@H](C)C2	4329920	PBBUZZSQLWZHOH-KFELAIKBSA-N	607.685	4.765	50	50	KJGA	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(OC)cc1	2356491	BRXAGNNWTWWJTB-OGLMXYFKSA-N	501.612	4.892	50	50	KJGA	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2	1082926407	ZLUUPZXOPGORNG-YRWZWMRHSA-N	784.394	4.916	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)ccc3OC)nnc2-c2ccc(C)cc2)cc1	1240771	ITKNVQHTTRVQCO-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccccc1	2520414	OMBADBMGTIWSDQ-FDAWAROLSA-N	540.963	4.900	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1	2530475	MQHDZABPLGKOGU-DCMOEJRUSA-N	511.372	4.985	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	2531786	ZJRNHPYRHZTCQW-STBIYBPSSA-N	513.506	4.895	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)cc1	8836959	CKASKCQHWHSVGG-OVVQPSECSA-N	516.583	4.792	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)n2-c2ccc(Cl)cc2)cc1	1275610	BANMTVSYHUDYAU-WKULSOCRSA-N	568.055	4.865	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2OCC)cc1	4287437	JNVYUYHAZOJCOK-RDRPBHBLSA-N	506.555	4.631	50	50	KJGA	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)N[C@H]3CCCC(=O)[C@@H]32)cc1	245254995	DGUZXGPIRAWCQW-PDXPSFPRSA-N	501.652	4.956	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OC(=O)c1ccc(Cl)cc1	2506434	UIHDLNMRRXAOTO-DHRITJCHSA-N	534.737	4.936	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)n2-c2ccc(C)cc2)cc1	1253581	LJKRUIUTDPYSFB-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
COc1cccc(NC(=O)C(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1	2552610	RRVFDOJNQIWLRX-MZJWZYIUSA-N	507.955	4.871	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(Br)c3)n2-c2ccccc2)cc1	1899540	DMZLJZNCCSBXIF-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
O=C(COc1ccc(F)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	2531167	JCHFQWBTDUGRQA-FDAWAROLSA-N	512.493	4.793	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)c1	2531541	FNBDIRJUBUKLSW-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1	2543711	HRUQOYLVZOJQNR-JFLMPSFJSA-N	508.372	4.628	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)cc1	4282430	PPEQOMMDQYGMCP-FMFFXOCNSA-N	580.597	4.654	50	50	KJGA	
C#CCN1C(=O)[C@@]2(C(C#N)=C(n3cccc3)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c2ccccc21	12361923	TTXRIFNXBZLGKU-SSEXGKCCSA-N	515.529	4.534	50	50	KJGA	
O=C(N/N=C/c1cc(Br)c(Br)o1)/C(=C/c1ccccc1)NC(=O)c1ccccc1	2906191	QLZSGCQKUQESNO-CECYVXGQSA-N	517.177	4.726	50	50	KJGA	
Cc1cc(Cl)ccc1NC(=O)/C(CC(=O)c1sc(-c2ccncc2)nc1C)=N\NC(=O)c1ccncc1	102308345	MFKIMLDMBRCVGK-QXPFVDMISA-N	533.013	4.868	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@H](Br)C[C@@H]3C2=O)cc1)c1ccc(Br)cc1	150402301	URYVPMWFVFILFG-INDMIFKZSA-N	628.111	4.915	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)ccc3OC)n2-c2ccc(Cl)cc2)cc1	1805379	ZDXRVFOITHEZAB-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OC)cc1	4260775	KDDTXNUTBBAWMW-OGLMXYFKSA-N	521.526	4.531	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	4327321	KIPVQZLCZRTSBI-XAZZYMPDSA-N	574.417	4.509	50	50	KJGA	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(Oc2ccc(C(=O)NNC(=O)c3ccccc3Cl)cc2)cc1	59602951	IVJABNAUFFQASZ-UHFFFAOYSA-N	563.397	4.935	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	118920880	IJKPEDMDYLWPMU-ZPTRSUOSSA-N	557.688	4.917	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(-c2ccccc2)s1	2543865	OWUCUYSUXHLZOB-UVHMKAGCSA-N	584.839	4.929	50	50	KJGA	
O=C(OC[C@H](Br)CBr)[C@@H](Br)[C@@H](Br)c1ccccc1	104100766	AJFWWQOEPPDCKX-VWYCJHECSA-N	507.842	4.588	50	50	KJGA	
O=C(N[C@H](C(=O)NN=Cc1cccc(Oc2ccccc2)c1)c1nnc(O)c2ccccc12)c1ccccc1	252679588	OPHOJMLXRQUCRA-MHZLTWQESA-N	517.545	4.749	50	50	KJGA	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1	2340300	CRPWFNWTGKBZKM-OXQZUZNTSA-N	529.622	4.868	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	4258916	WNMDOVDFDQURBO-IPPBACCNSA-N	536.817	4.835	50	50	KJGA	
COC(=O)c1c(N2C(N)=C(C#N)[C@@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)sc2c1CCCC2	3666031	PPAIHJVDDFHNAX-OAQYLSRUSA-N	504.568	4.626	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1cccc2ccccc12	4329939	HDOYNLNXDOGOEU-LQKURTRISA-N	516.351	4.910	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)N(c1cccnc1Cl)C(N)=C(C#N)[C@H]2c1cc(CN2CCOCC2)cs1	12402359	LWYBXFKSTCIRCR-QFIPXVFZSA-N	510.063	4.570	50	50	KJGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	4303003	GYIGMKXPKNXYQI-CCVNUDIWSA-N	508.365	4.944	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1	2542846	HSADHCGUGSPPCF-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1	4282253	WQBPHULCBQXUMD-KCSSXMTESA-N	513.573	4.737	50	50	KJGA	
C/C(=N\NC(=O)[C@]1(C)CC1(Br)Br)c1ccc(NC(=O)c2ccccc2C)cc1	8399689	RVLWFDUQLOTFAE-LEEXQRRLSA-N	507.226	4.984	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)ccc1OC(=O)c1ccc(C)cc1	2506453	TXOXREMCIVTSPM-AMVVHIIESA-N	536.009	4.971	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2)cc1	4259798	CDMRUIIPHRZOOC-RDRPBHBLSA-N	543.605	4.692	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1	4355618	CQBJPNKZAJQEKY-KCSSXMTESA-N	621.488	4.828	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2c(CN3CCCCC3)nnn2-c2nonc2N)cc1COc1c(Cl)cc(Cl)cc1Cl	150614664	MXCSINGBGKBKKW-KLPHOBTLSA-N	634.912	4.530	50	50	KJGA	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1)c1ccccc1Cl	2506363	AFJPFFXGUULYDD-ZMOGYAJESA-N	504.711	4.928	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2OC)cc1	2544439	JARYZVHUWMJMIR-UXHLAJHPSA-N	511.534	4.555	50	50	KJGA	
C[C@H](Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)C(=O)c1ccccc1	239328938	JVVXRYJQEKEHQJ-HFCKHCKESA-N	547.243	4.619	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OC)cc1	4259805	AEWJVXVXLXZZBX-UXHLAJHPSA-N	573.631	4.701	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1OC	2584737	AJPMXPDNXUBPBE-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)ccc1O	2337700	ONFLGQIFOSXIDR-VULFUBBASA-N	538.427	4.653	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1	4261004	DSVWLYZJSSLPTL-MZJWZYIUSA-N	564.421	4.584	50	50	KJGA	
O=C(CCC(=O)Nc1cccc([N+](=O)[O-])c1)NN=Cc1ccccc1OCc1cccc(Br)c1	245239700	LTFDEWAWNYGQCU-UHFFFAOYSA-N	525.359	4.805	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(SC)cc3)n2-c2ccccc2)cc1OC	1794006	CFEIQUPHSZIMTD-JVWAILMASA-N	519.652	4.916	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4230038	NQYZCVKTPAURGN-FDAWAROLSA-N	591.462	4.820	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccc(Br)c1	2532085	ZPIUQJQETWXNRS-XODNFHPESA-N	573.241	4.619	50	50	KJGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)cc1OC	1857800985	XFCNFXPDHMRBBK-QHCPKHFHSA-N	532.496	4.708	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2OC)cc1	4283504	SFZQQYPPZGBACC-TXMABLNQSA-N	541.398	4.993	50	50	KJGA	
COc1ccc(N2C(N)=C(C#N)[C@@H](c3cc(CN4CCOCC4)cs3)C3=C2CC(C)(C)CC3=O)cc1	12402310	XMCRVJNPJHODJK-VWLOTQADSA-N	504.656	4.530	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc(OC)c1O	1474670	YBOLBIKGCLCVNP-RWPZCVJISA-N	517.611	4.516	50	50	KJGA	
C/C(=N\NC(=O)c1nn(C)cc1I)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1	8456079	JNJXCKCMWCPLOF-RPPGKUMJSA-N	586.217	4.503	50	50	KJGA	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1O	2340989	PBSKCVVSQAWCBT-LQKURTRISA-N	501.612	4.898	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4335819	DKWKEWKSALTCPU-DPNNOFEESA-N	555.974	4.659	50	50	KJGA	
Cc1cc(Br)c(C(C)C)c(OCC(=O)N/N=C2\C(=O)N(C)c3c(C)cccc32)c1Br	1923022	IVXPBMUJWPOOFL-XHPQRKPJSA-N	537.252	4.828	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2542917	AYDMTNFZLKSFQI-XKJRVUDJSA-N	579.234	4.864	50	50	KJGA	
O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)c1cc(Br)cc(Br)c1O	2816625	PJERWSRPNVWYJA-PTXOJBNSSA-N	571.845	4.912	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2OC)cc1	4258684	OYJNZHOXAIKDDQ-HNSNBQBZSA-N	580.597	4.573	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1	4283474	HYCHAAPKCGBVRI-LQKURTRISA-N	554.397	4.555	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3OC)nnc2-c2ccc(C)cc2)cc1	1241287	PQFBRGRILOQVKO-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2532027	BTQGKSRGUVSEKJ-AMVVHIIESA-N	528.392	4.800	50	50	KJGA	
Cc1ccccc1NC(=O)[C@@H]1[C@@H](c2cccs2)C(C#N)=C(SCC(=O)Nc2ccccc2)N[C@]1(C)O	239377989	OJRANMWRKUXMSI-ONBPZOJHSA-N	518.664	4.814	50	50	KJGA	
COc1cc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC	714785	NFBOGPPHORNBJC-XMMPIXPASA-N	516.623	4.829	50	50	KJGA	
CC(C)Sc1nnc(N2C(N)=C(C#N)[C@@H](c3cnc4ccccc4n3)C3=C2CC(C)(C)CC3=O)s1	12401697	SHCYQLDOSAHVEJ-FQEVSTJZSA-N	503.657	4.923	50	50	KJGA	
CN1CC=C2C(C#N)=C(NC(=S)NC(=O)c3ccccc3)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1	100742224	NBEMNJSDXJMLLW-FYYLOGMGSA-N	547.471	4.694	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1	2354586	FUBOHTVDNPBEAP-AFUMVMLFSA-N	537.399	4.847	50	50	KJGA	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	4231966	UJBBCWBEUBFUDY-WGOQTCKBSA-N	528.428	4.887	50	50	KJGA	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1	2703028	RDTCHABEPHJVGL-OGLMXYFKSA-N	501.612	4.756	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)sc2c1CCCC2	4229987	MWPIFOCLZBZIFQ-AXVSOQQPSA-N	577.460	4.969	50	50	KJGA	
COC(=O)/C(=C(\N[C@@H](O)c1ccccc1)SC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102311571	XHWVYNDNMWPEDK-NDEPHWFRSA-O	514.607	4.966	50	50	KJGA	
C/C(=N\NC(=O)CN(c1ccccc1Br)S(C)(=O)=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1	59646850	DBPOKWUYWXIWHD-LQKURTRISA-N	577.888	4.661	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)cc2OC)cc1	4354484	BFYFENJHMFWFOS-HNSNBQBZSA-N	539.588	4.737	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1	4335782	TYWKMVBLJXFOPJ-JEWPKMHUSA-N	511.372	4.641	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)sc2c1CCCC2	4330570	KRDYHNLEELHFOK-IBBHUPRXSA-N	658.527	4.891	50	50	KJGA	
O=S(=O)(NCCSSCCNS(=O)(=O)c1cc(Cl)ccc1Cl)c1cc(Cl)ccc1Cl	59672600	REQLACDIZMLXIC-UHFFFAOYSA-N	570.394	4.938	50	50	KJGA	in-vitro
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)c1ccc(Br)cc1	150642386	URYVPMWFVFILFG-RDGPPVDQSA-N	628.111	4.915	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O)Nc1ccccc1Cl	239073248	GTWPKQTUKNICGD-MVXJNQHVSA-N	546.687	4.617	50	50	KJGA	
Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1	239174175	PKSKJABNRUWCNU-XVMGYKCHSA-N	532.232	4.530	50	50	KJGA	
Cc1nnc(SCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)n1-c1ccccc1	25584356	XUZSHEWFVGQKNO-JFLMPSFJSA-N	505.987	4.691	50	50	KJGA	
N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@@H]1c1cccc(Br)c1	1430917	UIDVBSOPTDOKLN-MRXNPFEDSA-N	500.809	4.985	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2C)cc1OC	2531645	XIOVLPVUZJCWGS-MZJWZYIUSA-N	527.371	4.523	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1	4296326	YUKDDKQEAMAAOZ-UZWMFBFFSA-N	551.555	4.613	50	50	KJGA	
COC(=O)/C(NC(=O)c1cccc(C)c1)=C(\S)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101137037	WZGAJDYXCAUBHO-UHFFFAOYSA-O	512.591	4.991	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1OC	2544468	YHZWIJVETBUEND-OKCVXOCRSA-N	531.952	4.818	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccc(I)cc3)n2CC)cc1	8455979	JPSJXKDWPJUJIZ-JFLMPSFJSA-N	591.523	4.603	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)c1	2531589	OMXYDVVUQCTUFL-IPPBACCNSA-N	565.449	4.878	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1OC	2544339	WLEGFNZPUGBHED-OKCVXOCRSA-N	531.952	4.818	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)cc1	4259369	OOZNXIGFGBSTBP-KCSSXMTESA-N	538.535	4.694	50	50	KJGA	
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	4282136	YZWKAHDDVOXQQR-LGJNPRDNSA-N	561.763	4.561	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)n2-c2ccc(Cl)cc2)cc1	53335597	NQKJUTWYEPFRPH-WKULSOCRSA-N	568.055	4.865	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1	4302625	QPFGMIQXSNMFNZ-WCMJOSRZSA-N	607.404	4.552	50	50	KJGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)cc1Cl	4355074	IOFZBIZUXWENMU-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
CCCCOc1ccc(OCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1	2897721	HIGJOSAHOVTASJ-SSDVNMTOSA-N	500.187	4.625	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3)n2-c2ccc(C)cc2)cc1	1243178	HHLGCAOUJYQAKZ-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)n2-c2ccccc2)cc1OC	1477358	YPHGXDWLKNHBDZ-CCVNUDIWSA-N	598.479	4.671	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC)nnc2-c2ccccc2)cc1	1827789	VXGLKUYTLAENPH-MTDXEUNCSA-N	501.612	4.974	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C=C/c3ccccc3[N+](=O)[O-])n2-c2ccccc2)cc1OC	2273021	WXIGUXOBIPZVPR-POGUPQBGSA-N	544.593	4.767	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)n2-c2ccccc2)cc1	4518204	PNAILMFRFFKXMN-MTDXEUNCSA-N	515.595	4.501	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)N(c1cccnc1Cl)C(N)=C(C#N)[C@@H]2c1cc(CN2CCOCC2)cs1	12402360	LWYBXFKSTCIRCR-JOCHJYFZSA-N	510.063	4.570	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3cccc(C)c3)cc2)cc1	2520155	CKUFIBFIYWHWPI-BIZUNTBRSA-N	534.572	4.864	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cc1OC	4347387	VXUONQFGASGMEJ-PNQUVVCRSA-N	609.260	4.872	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2OC)cc1	2542792	NNNFUCVLGSGJMC-UXHLAJHPSA-N	511.534	4.555	50	50	KJGA	
Br[C@H]1CC2[C@@H]3C[C@@H](Br)[C@H](Br)C[C@@H]2C3C[C@@H](Br)C12OCCO2	257356264	HDLGCJXUEHUUDW-PTTHCUANSA-N	551.939	4.850	50	50	KJGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4327379	MTPLWNSIXGRZIW-DPNNOFEESA-N	647.425	4.610	50	50	KJGA	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)nnc2-c2ccc(Cl)cc2)cc1	2366406	RZEWDLSMIUNYCH-CCVNUDIWSA-N	536.013	4.602	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OC)cc1	4283154	LWXMUPKNGXXRIU-KBVAKVRCSA-N	560.632	4.604	50	50	KJGA	
O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)NNC(=S)Nc1ccc(Br)cc1	97950534	JBFVDANJHTTZSJ-UHFFFAOYSA-N	539.484	4.807	50	50	KJGA	
O=C(OC[C@H](Br)CBr)[C@H](Br)[C@H](Br)c1ccccc1	101357475	AJFWWQOEPPDCKX-GMTAPVOTSA-N	507.842	4.588	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NCc1ccccc1)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	12250258	JQIZOICCZIQHJO-DEOSSOPVSA-N	502.596	4.710	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccccc2)cc1	2194153	TZBSDNJYEWFEGH-VULFUBBASA-N	522.974	4.747	50	50	KJGA	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4cccs4)cc3)cc2)cc1	2520066	IGILWUXMTKGKMC-WPWMEQJKSA-N	519.604	4.840	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc3ccc(C)cc3nc2Cl)sc2c1CC[C@H](C)C2	2520415	RYVRKIMRSMQPHP-YOGAUDJFSA-N	513.019	4.648	50	50	KJGA	
CO[C@@H]1[C@H](O[C@@H]2[C@H](OC(C)=O)CO[C@H](Sc3ccccc3)[C@@H]2OC(C)=O)O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC	257356426	HWYGRRQODGUGMF-ZAQICCFJSA-N	614.830	4.549	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2530514	CHSVHMPWLBOYIT-XKJRVUDJSA-N	534.783	4.755	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OCc1ccc(Cl)cc1	2531228	DPBKLKIITCBMMR-WCMJOSRZSA-N	501.970	4.961	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl	2542807	OUXHIYNEMDESHU-FDAWAROLSA-N	541.947	4.867	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccccc1	2531396	BQEAATRMXCSRLA-TWKHWXDSSA-N	543.601	4.869	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1O)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1	9109574	PSCVHPUZCBHGFE-JVWAILMASA-N	505.372	4.930	50	50	KJGA	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1O	3072527	RTVTXEVXAVFQMS-AERZKKPOSA-N	551.029	4.531	50	50	KJGA	
Cc1cc(C(=O)N/N=C\c2ccc(/C=N/NC(=O)c3cc(C)nc4ccccc34)cc2)c2ccccc2n1	33534090	IXFJDBFEDIATHH-XEUGNBHESA-N	500.562	4.928	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)c1	2542863	GAHKYVSETGFXNS-XODNFHPESA-N	573.241	4.619	50	50	KJGA	
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)c1	2520406	FKPIVKQTNXYHHX-ZCTHSVRISA-N	520.545	4.555	50	50	KJGA	
O=C(COc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	2543951	IVRUFKCWIDQNKY-RPPGKUMJSA-N	505.727	4.990	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1	4347382	SQLKJAJXQSVDKG-SSGLAOATSA-N	541.398	4.993	50	50	KJGA	
O=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)C(=O)Nc1nnc(-c2ccccc2)s1	4210247	QTFBOAREPJRCQW-VULFUBBASA-N	536.411	4.635	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1	4335599	PMWQPEKGFHGNOO-VTNSRFBWSA-N	621.431	4.942	50	50	KJGA	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2Cl)cc(I)c1OC	150408690	HMQUKPLXTPXOJX-JJRPROGJSA-N	632.886	4.949	50	50	KJGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1	1755771	CCJJHEQVSDAPFY-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)C(=O)Nc1ccc(F)cc1	2543891	ZFBKPTRZCCVPPZ-RPPGKUMJSA-N	518.726	4.550	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)cc(I)c1O	150350866	HQPHIUNRASTZAX-AERZKKPOSA-N	662.898	4.822	50	50	KJGA	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	239433744	YJZJOGRQJZRRQX-SQRIWIIMSA-N	562.258	4.584	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	2544003	PNJMBMBVSFUVOC-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	2544174	QTLSKOZNIWQSEM-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)cc2OCC)cc1	4293120	JWZASBWWXZNLBY-KBVAKVRCSA-N	582.451	4.736	50	50	KJGA	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1	4302934	UDEGBICLBQQNHT-ZCTHSVRISA-N	521.529	4.522	50	50	KJGA	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](C(=O)O)N2	229799159	SUNBETZXGKUILP-TVONUNMFSA-N	504.008	4.827	50	50	KJGA	
CCOC(=O)/C(=C/C(=O)OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1	1501069128	FSUAQUALBAQBQL-BUAYXIQSSA-N	522.711	4.776	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C(=O)OCC)CCCC4)cc2)cc1	4282420	TWXCBLYBMJMBGI-FDAWAROLSA-N	577.659	4.900	50	50	KJGA	
COc1ccc(NS(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)Nc4ccc(OC)cc4)cc2[N+](=O)[O-])C3=C(C#N)C#N)cc1	150463666	YRVYSADMMMTZRV-UHFFFAOYSA-N	688.656	4.951	50	50	KJGA	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1	2342477	KJMHWQOXNDQVAI-STBIYBPSSA-N	531.638	4.765	50	50	KJGA	
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)CCCC(=O)N/N=C/c2ccccc2OC(=O)c2ccc(OC)cc2)cc1	4527809	KKTCAHMZPHSQEW-BVDGQYGUSA-N	636.661	4.913	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OCc1ccccc1	4231939	KIEHYNYOTWMZMQ-VUTHCHCSSA-N	515.591	4.839	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OC)cc1	4292979	DRGPFMWIGHGDIA-OQIQZUQJSA-N	521.526	4.529	50	50	KJGA	
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N[C@@H](CSSC[C@H](NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)C(=O)O)C(=O)O	150347369	VQUILFZJHCQRPY-KYJUHHDHSA-N	855.822	4.604	50	50	KJGA	
CC(C)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	239174432	QAPPVUHPVCRZLK-GVCFXIMESA-N	624.153	4.912	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1	2542996	DCPQCYOZWXPJKX-VTNSRFBWSA-N	529.980	4.991	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1cccc(Br)c1	2544148	BGMXAIDKTBPLPW-XKJRVUDJSA-N	579.234	4.864	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	4335635	WFCOEOJKYSSGFY-FJEPWZHXSA-N	572.843	4.991	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(I)cc(I)c3O)nc3ccccc3c2=O)cc1	150373164	XXGNSMGCTFAHME-KKMKTNMSSA-N	712.307	4.552	50	50	KJGA	
O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N/N=C/c1c(O)ccc2ccccc12	2930422	ZACXRCQESSMMGJ-LQKURTRISA-N	552.450	4.649	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(SC)cc3)n2-c2ccc(OC)cc2)cc1	2356450	WEWCPTRUFVKGDN-JVWAILMASA-N	519.652	4.916	50	50	KJGA	
O=C(N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1cccc(F)c1)c1cccnc1	2898544	WISWWPIMCFETHA-OPEKNORGSA-N	521.140	4.729	50	50	KJGA	
COc1cc(C(=O)Oc2cc3c4c(c2)[C@]2(C(=O)N4C(C)(C)C[C@H]3C)C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC	59616742	FSOVJIGEGZGLHV-KXSVPLAASA-N	599.640	4.533	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	2544012	OCILTHGCCOUBKB-RPPGKUMJSA-N	518.726	4.550	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(OC)cc3OC)n2-c2ccc(C)cc2)cc1	706936	TYKKWTWCQVVNPH-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1	4354751	KZHXNEOUPPGKKP-OGLMXYFKSA-N	521.526	4.531	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)cc1OC	2531119	CUJZVPBBWHCRRB-ZXSUQFSISA-N	527.371	4.603	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(OCc2cccc(Br)c2)c1	4229689	ALXUADSJFMNAAR-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)cc2)cc1	4355527	NKOPSDHRBSWWGM-FMFFXOCNSA-N	539.636	4.997	50	50	KJGA	
O=P(c1ccccc1)(c1ccccc1)c1cc(S(=O)(=O)O)ccc1OCCOc1ccc(S(=O)(=O)O)cc1P(=O)(c1ccccc1)c1ccccc1	195816423	JSTGOBPFUBAQSY-UHFFFAOYSA-N	774.746	4.917	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(OC)c2)cc1	4335823	YPALEUZPBBRLNJ-LQKURTRISA-N	554.397	4.555	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2)cc1	102293372	XZBOOXBLGWFXEB-KCSSXMTESA-N	570.989	4.909	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1sc2c(c1C#N)CCCC2	2532288	LFNQEFXESAROFV-IPPBACCNSA-N	565.449	4.878	50	50	KJGA	
C[C@]1(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)CC1(Br)Br	2089800	IAXNDMZRIBPICY-GHHULDLGSA-N	505.550	4.854	50	50	KJGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1	1209912	ZPWGWAJGDKQPTD-STBIYBPSSA-N	523.622	4.679	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2cccs2)N3)cc1Cn1cc([N+](=O)[O-])cn1	2783717	WTULMSBEHYQXBV-IYKBMAJZSA-N	574.545	4.530	50	50	KJGA	
O=C(c1ccc(F)cc1)[C@H](CCCl)N(C(=O)c1ccccc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O	239287371	CQZUOIWJXGNEFU-OPYAIIAOSA-N	503.357	4.668	50	50	KJGA	
CN(C)c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CCc3ccccc3)c3ccccc32)cc1	951104309	MQXVMBCKCOPGCK-XVFDUNCVSA-N	557.654	4.633	50	50	KJGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)c(O)c(Br)c1	1779653	IJXMJNPKBCSBGU-FBCYGCLPSA-N	501.225	4.769	50	50	KJGA	
O=C(NNC(=S)NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2	2794075	XEAJGJUIONTLBA-WMZOPIPTSA-N	508.957	4.506	50	50	KJGA	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)cc1	4260737	UYYNZKMFQCZWIF-NDZAJKAJSA-N	511.582	4.816	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4283243	FXZZBJYVZKMTJJ-DPNNOFEESA-N	555.974	4.659	50	50	KJGA	
CCCCOc1ccc(-c2n[nH]c3c2[C@]2(C(=O)Nc4ccc(C)c(Br)c42)C(C#N)=C(N)O3)cc1	8854881	FEUZHDTZUHXGET-VWLOTQADSA-N	520.387	4.651	50	50	KJGA	
O=C(CCCC[C@H]1CCSS1)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F	585091598	KWKVGZCJFANBFO-SANMLTNESA-N	777.893	4.502	50	50	KJGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	4287491	OLKGGHOQYUUXPQ-KVSWJAHQSA-N	640.659	4.806	50	50	KJGA	
COc1cc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)c(OC)c1	5350351	CMEHWIVFRPDDSM-RWPZCVJISA-N	504.612	4.661	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cccc(C)c2)cc1OC	2531438	UITTWERSBCKDDW-MZJWZYIUSA-N	527.371	4.523	50	50	KJGA	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl	4210917	DEIRQUNBATWABR-UVHMKAGCSA-N	562.456	4.856	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(OC)c1O	9010216	XAHYXPUFLIAWDG-UVHMKAGCSA-N	511.003	4.703	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)c1ccc(Br)cc1	150642382	URYVPMWFVFILFG-YRXWBPOGSA-N	628.111	4.915	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C/c2cccc(OCC)c2O)nnc1-c1ccc(Br)cc1	2522037	MWFDSWUQHJQSSK-BRJLIKDPSA-N	530.448	4.630	50	50	KJGA	
COc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(I)c1OCc1ccc([N+](=O)[O-])cc1	1140002	GNDYEHBHGKNNAA-NRFANRHFSA-N	573.343	4.602	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccccc2)cc(OC)c1OC	100743368	XPDNNMFPEUNSQI-CCVNUDIWSA-N	583.026	4.764	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)cc1	4354617	IHTKPDBBGQWYBB-MUFRIFMGSA-N	524.415	4.697	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2[C@@H](c3ccccc3)[C@H](C(=O)N3CCOCC3)[C@H]2c2ccccc2)cc1	245256075	NKNMGSGYZGIASJ-AIBUXXTMSA-N	538.692	4.655	50	50	KJGA	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)c(Br)c(Br)c1O	104036985	IDFJHDYLBVMAFI-ZBKNUEDVSA-N	521.003	4.842	50	50	KJGA	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c([N+](=O)[O-])c1	2051882	XGPGEYFAYFKXAS-UHFFFAOYSA-N	531.407	4.923	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)cc1	4231884	IPGKEPWMWGABAZ-VUTHCHCSSA-N	513.575	4.779	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1ccc(Br)cc1	239038398	DCBJFYQZKZNDIJ-YBZCJVABSA-N	640.122	4.771	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccccc3C)n2-c2ccccc2)cc(OC)c1OC	1474776	WNQBLPDKLPGCOY-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(OC)cc1	2531156	NFKLYDSPXDYNQJ-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2)cc1	4258907	XXSXBOLAVAXBLH-JVWAILMASA-N	511.372	4.986	50	50	KJGA	
Cc1ccc(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)c2)cc1C	239412543	SVALYKHADIPAPW-OMIWWWDHSA-N	589.280	4.625	50	50	KJGA	
COc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Br)cc3[N+](=O)[O-])o2)cc1Cl	2836099	MUDLXQJCGDRJRH-AUEPDCJTSA-N	508.712	4.808	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(OC)cc3)cc2OC)cc1	4261024	VRHARPZYIXEORQ-RDRPBHBLSA-N	506.555	4.631	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccc(Cl)cc1	2544527	UNHVBVMLQINRIG-VTNSRFBWSA-N	529.980	4.991	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)c1	2531661	IUKZROVPVVNFHB-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
O=C(CSc1nnc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1	2745407	OIJUGGBDBPRUSZ-KKMKTNMSSA-N	582.433	4.518	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2OC)cc1	4231994	SRIVYJQSFBOONJ-AJBULDERSA-N	573.627	4.878	50	50	KJGA	
NNC(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC(=O)c1ccc(Cl)cc1Cl	1797791	LBFSJISWOCWRLE-UUYOSTAYSA-N	510.356	4.746	50	50	KJGA	
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N/N=C/c3ccc(OC(=O)c4ccccc4)cc3)cc2)cc1	2519891	USTOYOPFALGPHD-VUTHCHCSSA-N	513.575	4.779	50	50	KJGA	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(OC)c1	1742425	FCNFOEOVJXNBEG-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1	1879845	JISRTZWJWPXXCZ-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)c1O	2322347	UBGDRDVVIUDQSH-MZJWZYIUSA-N	508.003	4.853	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	2543927	QSVLANOUYQDYQK-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3cc([N+](=O)[O-])ccc3C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC	659797	GPQGVXXSBJTFAZ-HSZRJFAPSA-N	518.570	4.870	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)cc3)cc2OC)cc1	4259386	PSSAUBPQYJZNNQ-KBVAKVRCSA-N	538.000	4.627	50	50	KJGA	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(OC)c1	1300340	GMPZLIWOHKZSPS-MUFRIFMGSA-N	531.638	4.819	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1	4302498	MQRQAHFCIXRFTO-FJEPWZHXSA-N	572.843	4.991	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	2531916	OEKZEUKFPNMSBH-ZXSUQFSISA-N	556.369	4.893	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)c(OC)c2)cc1	2532032	CLJXVKHDZPISBL-AMVVHIIESA-N	552.008	4.671	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1	4230246	IPHIQWNUYNJHHH-FMFFXOCNSA-N	564.598	4.954	50	50	KJGA	
c1ccc(Cc2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1	97949517	FHRMTBHNWBHSAH-UHFFFAOYSA-N	505.578	4.721	50	50	KJGA	
COc1ccc(N2C(N)=C(C#N)[C@H](c3cc(CN4CCOCC4)cs3)C3=C2CC(C)(C)CC3=O)cc1	19873869	XMCRVJNPJHODJK-RUZDIDTESA-N	504.656	4.530	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2OC)cc1Cn1cnc([N+](=O)[O-])n1	101130279	SAXSWRWROGWZBW-PNQUVVCRSA-N	585.404	4.902	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12	2532112	JORUJHWEWMQFOB-OKCVXOCRSA-N	530.378	4.702	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1	4292972	HEJWYTRODAMPJY-IBBHUPRXSA-N	558.418	4.890	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc(OC)c1OC	100318028	PDCNCVYOAIIHSM-OGLMXYFKSA-N	562.608	4.501	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)cc1Cn1cnc([N+](=O)[O-])n1	101130284	IDNYGEHYBZZTIB-XKJRVUDJSA-N	555.378	4.893	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Br)ccc1OC(=O)c1cccs1	1214206	YDRNYXSSMPFXRZ-BHGWPJFGSA-N	523.792	4.921	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	2585040	WWNNMXSJPVYJST-UVHMKAGCSA-N	547.789	4.868	50	50	KJGA	
O=C(COc1ccc(F)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	2530651	RQTOHJVKKIBIQF-RPPGKUMJSA-N	505.727	4.990	50	50	KJGA	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	2542804	YJIJYPRWNDNWOW-ZCTHSVRISA-N	521.529	4.522	50	50	KJGA	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc3c(c2)OCO3)cc1	230141443	DREKXIPAJFDGMX-KKMKTNMSSA-N	525.355	4.543	50	50	KJGA	
Cn1c(SCC(=O)NN=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1	245245549	DBKNGHMASAZLRX-UHFFFAOYSA-N	581.452	4.974	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	118917102	FKOVEMMPJVJFPM-NYNUFNRXSA-N	580.726	4.774	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4293201	AACXUBKQBCILST-DPNNOFEESA-N	600.425	4.768	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OCc1ccc(Cl)cc1	2553519	LMGIMDPARSAQST-IPPBACCNSA-N	500.382	4.851	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OCC)cc3)cc2)cc1	4260565	CVBOIJLNZNMEHV-VUTHCHCSSA-N	503.555	4.572	50	50	KJGA	
COc1cc(C(=O)Oc2cc3c4c(c2)[C@@]2(C(=O)N4C(C)(C)C[C@@H]3C)C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC	59616737	FSOVJIGEGZGLHV-AESQFQPQSA-N	599.640	4.533	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	2531599	NWIMEMDKIYTKJP-AFUMVMLFSA-N	512.316	4.739	50	50	KJGA	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2Cl)=C(C#N)[C@@H]1c1ccc(C)cc1	220953742	KLOOCQCQNOOLIZ-PMACEKPBSA-N	548.846	4.521	50	50	KJGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	2532045	CZQOUJQJVYJEEC-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)c(O)c1	97976891	INJBEAKJHNRXSU-RDRPBHBLSA-N	530.654	4.737	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@H]1C[C@H]3O	253499193	KSWAFYAIOOUUMS-XTRRBRKESA-N	580.726	4.774	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OCc1ccc(Cl)cc1	2543819	SNNNWCVPHRCZFL-XODNFHPESA-N	530.806	4.570	50	50	KJGA	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1O	13943214	FTQFMKOVYUECMQ-TURZUDJPSA-N	501.612	4.898	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)nnc1-c1ccc(Br)cc1	100666120	XSRJTKXOCPSZTN-WGOQTCKBSA-N	544.475	4.933	50	50	KJGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	4335710	BNPCMAFSJJCXCZ-BRJLIKDPSA-N	532.734	4.759	50	50	KJGA	
CCOC(=O)/C(=C\C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1	169833838	FSUAQUALBAQBQL-JUFORTAFSA-N	522.711	4.776	50	50	KJGA	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1	2553753	JEDIZCQNTCVFJL-MZJWZYIUSA-N	507.955	4.871	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccccc1Cl	4329629	XXKAMXQNEROQJN-KCSSXMTESA-N	577.037	4.719	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1	4347381	SQLKJAJXQSVDKG-TXMABLNQSA-N	541.398	4.993	50	50	KJGA	
O=C(COc1c(Br)cc(Br)cc1Br)N/N=C/c1cc(I)ccc1O	150409719	YGTYQAAHTXFTBJ-CGOBSMCZSA-N	632.872	4.813	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccc(O)cc1	2297222	GKMRXLHXQBGKHR-AFUMVMLFSA-N	508.401	4.645	50	50	KJGA	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3OCC(=O)O)n2-c2ccccc2)cc1	2326799	COIBHOLJQGQTGX-OCSSWDANSA-N	543.649	4.938	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)sc2c1CC[C@H](C)C2	4329922	PBBUZZSQLWZHOH-AHDSZGRNSA-N	607.685	4.765	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2530299	QKBRDXWAVHLAQN-XKJRVUDJSA-N	534.783	4.755	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Br)cc1	2532176	HSLGTVULCDYKEG-LGJNPRDNSA-N	559.214	4.828	50	50	KJGA	
C/C(=N/NC(=O)c1ccc(Cn2nc([N+](=O)[O-])c(Cl)c2C)o1)c1ccc(NC(=O)C2CCCC2)cc1	8456152	RMDUAKUTIDDELH-VYYCAZPPSA-N	512.954	4.677	50	50	KJGA	
CCOP(=O)(N[C@H](N[C@@H](NC(=O)c1ccccc1)C(Cl)Cl)C(Cl)(Cl)Cl)OCC	101022488	RKECLUBGLGHVFL-OCCSQVGLSA-N	515.589	4.603	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1	4335686	JDGJKUVJDBEINM-ALQBTCKLSA-N	569.614	4.745	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(OC)cc1	4232236	HHZROLISACAYBO-AJBULDERSA-N	573.627	4.878	50	50	KJGA	
O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1nnc(-c2ccccc2)s1	4261051	NETJQFLSWCCAMZ-JSTDAOHCSA-N	576.432	4.675	50	50	KJGA	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@@H]1c1ccc(C)cc1	220959339	AAZIMJIAEDIOBE-PMACEKPBSA-N	537.947	4.777	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1	4260213	NJXNGENSZSLZIP-STBIYBPSSA-N	523.973	4.836	50	50	KJGA	
O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	2905133	DERNBHOZAZXDSG-XODNFHPESA-N	504.381	4.800	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3Cl)cc2OC)cc1	4259663	KMTCHFLSGFOLBR-KBVAKVRCSA-N	538.000	4.627	50	50	KJGA	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC	100318006	CMGOYHVWWIMSPB-UXHLAJHPSA-N	577.663	4.610	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OCC)cc3)cc2OC)cc1	4259395	XCLZTAVUXQIHSR-NDZAJKAJSA-N	533.581	4.581	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)c(O)c1	100559079	JGOIEIOICQRCDK-UXHLAJHPSA-N	560.680	4.746	50	50	KJGA	
Cc1nnc(SCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)n1-c1ccccc1	2506424	PDGXDNQJFGSGIF-JFLMPSFJSA-N	505.987	4.691	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)cc1	2391490	ZCZDQVVVYAOQLX-RWPZCVJISA-N	542.361	4.685	50	50	KJGA	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1	4231872	APHQVKHNFVLEEB-PCLIKHOPSA-N	514.401	4.579	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OC)c3OC)nnc2-c2ccccc2)cc1	9237211	WDRXUGQQQVSTEN-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
COc1c(I)cc(I)cc1/C=N/NC(=O)Cc1cccc2ccccc12	100477509	BOJBSOYWUBNJLJ-FSJBWODESA-N	570.168	4.750	50	50	KJGA	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Br)cc1F	989279	AYPNBMBKCUARQA-HXUWFJFHSA-N	543.418	4.889	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3nnc(-c4ccccc4)s3)cc2OCC)cc1	4354155	ZOIOCZDFWQKEIZ-UXHLAJHPSA-N	573.631	4.701	50	50	KJGA	
COc1cccc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)C3CCN4CC3)C3=C2C(=O)CCC3)c1OC	12371632	ATBRQXVFSNCJPP-HSZRJFAPSA-N	513.623	4.639	50	50	KJGA	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)C(=O)Nc1ccc(F)cc1	4229642	IDUMUMVMYQIKOF-MZJWZYIUSA-N	506.335	4.530	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(OCC)cc2)cc1	4354559	INYADHHVJMHSEK-STBIYBPSSA-N	568.424	4.945	50	50	KJGA	
O=C(NCCSSCCNC(=O)[C@@H]1CCOCC12CCCCC2)[C@@H]1CCOCC12CCCCC2	1875370010	WLBDJMTUSMJUAK-VXKWHMMOSA-N	512.782	4.574	50	50	KJGA	
CO[C@@H]1[C@H](O[C@@H]2[C@H](OC(C)=O)CO[C@H](Sc3ccccc3)[C@@H]2OC(C)=O)O[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC	169834624	HWYGRRQODGUGMF-ZZIRJKKDSA-N	614.830	4.549	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1	2532022	HWYRQYWWIPMBSK-OKCVXOCRSA-N	530.378	4.702	50	50	KJGA	
CCn1c2ccccc2c2cc(/C=N/NC(=O)[C@H](NC(=O)c3ccccc3)c3n[nH]c(=O)c4ccccc34)ccc21	2869775	ZLGVDKCPTPSYKA-VMMJCZBFSA-N	542.599	4.672	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1	2543291	GNQPSUYAOGCUPI-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	4259756	OGKDWQDCSYDXAQ-KVSWJAHQSA-N	567.783	4.550	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)ccc3OC)nnc2-c2ccccc2)cc1	1296949	MYYNRXIIGYQUGY-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNS(=O)(=O)c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	4210751	UTFOFVYIBWFSSW-CCVNUDIWSA-N	572.064	4.520	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CC[C@@H](C)C2	4258813	BMAMQPNOJWOABY-RPHGZPOOSA-N	585.686	5.000	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)ccc1OC(C)=O	13239245	BCZDUEGBOBPHAJ-RWPZCVJISA-N	502.596	4.569	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1	2531918	NLAQUTYVFNTACL-MZJWZYIUSA-N	589.240	4.918	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1	4282111	ZAEZMQMISJNUQE-RDRPBHBLSA-N	506.555	4.874	50	50	KJGA	
Nc1cccc[n+]1/C=C(\NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102312592	LAFIFOIPBKFEDO-QCKNELIISA-P	501.570	4.736	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Cl)cc1	239173959	OZWGRPGCTZWAKE-JMCDZUJHSA-N	546.687	4.617	50	50	KJGA	
COc1ccc(Cl)cc1NC(=O)CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br	239274834	ASSQXHACRQPAIS-VPZWPZHPSA-N	576.713	4.625	50	50	KJGA	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1	2390666	UAQWQENPJCCDJZ-OGLMXYFKSA-N	501.612	4.892	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1	2542847	BBWSTLUKDCLTDA-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3C)cc2OCC)cc1	4283435	SHPHMASJUVOQIF-MUFRIFMGSA-N	523.973	4.754	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2OC)cc1	4335825	GCLJQQCIWQFNKF-NDZAJKAJSA-N	517.582	4.745	50	50	KJGA	
C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	709379	FLRRCRRRXYWICA-LBPRGKRZSA-N	538.313	4.950	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2530593	SECZGRBTEKIVBE-RPPGKUMJSA-N	518.309	4.659	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1	4347346	MYPFOLCPQOLIEV-IPPBACCNSA-N	650.267	4.552	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1OC	2553735	WIISCFOLAJYQNH-KPGMTVGESA-N	545.979	4.610	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC	4335615	OHQJXZLIYXJGBA-PJAVDKHJSA-N	572.368	4.511	50	50	KJGA	
CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1	239305864	GCIKBNPTOHPCSJ-MSPXFKQSSA-N	527.253	4.845	50	50	KJGA	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OCC)c(OC)c3)CC(=O)N2)c1	9969699	PCGRLJLGPHSWEW-NRFANRHFSA-N	509.628	4.983	50	50	KJGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl	2542633	LMBMJGUOPBLNMS-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1	4282723	VZEWCLRERDHCEJ-OCSSWDANSA-N	552.425	4.727	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)cc2OC)cc1	4347227	TVPYSLGOTIWCRH-KBVAKVRCSA-N	582.451	4.736	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1cccc(Cl)c1Cl	102315996	BBDPLDHCDIPKOJ-RPPGKUMJSA-N	582.181	4.906	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	4210615	AVTSEGFUBKNYTP-IPPBACCNSA-N	536.817	4.835	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2OC)cc1	4260782	AGHRMLFFWWLJFS-DPNNOFEESA-N	601.015	4.918	50	50	KJGA	
CC[C@@H](C)[C@H](NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](C(=O)O)[C@H](C)CC)C(=O)O	101174591	SUQDXZBTWJQATJ-DJDZNOHASA-N	532.684	4.944	50	50	KJGA	
CSCC[C@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	239046665	FWQJCEAJPHLFQR-PAHFPICISA-N	649.401	4.979	50	50	KJGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1	1800709	QAKGWGUZQIVCIS-AUEPDCJTSA-N	525.077	4.752	50	50	KJGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1Cl	4230108	XKRMRFFRJYDOLU-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1	1248597	MZZAGZWUZFRJED-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1)c1ccc(Br)cc1	150643165	DCBJFYQZKZNDIJ-VJQWSGFBSA-N	640.122	4.771	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2)c1	2532119	GZZICQTWUUNSAE-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
O=C(N/N=C/c1cccc(Br)c1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1	245296654	NHMGNVZYEYCOAE-WHKZGSIKSA-N	546.465	4.572	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1	2542794	JISJNRVEDJWNGQ-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc(OC)c1OC	100613378	DOKQGLITBWQRFH-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	4347377	FBCQUJUCTUFXLQ-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
CC[C@H](C)[C@H](NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](C(=O)O)[C@H](C)CC)C(=O)O	101174589	SUQDXZBTWJQATJ-KFVVBQDRSA-N	532.684	4.944	50	50	KJGA	
O=C(CSCc1ccccc1Br)N/N=C/c1c[nH]nc1-c1ccc(Br)cc1	13321983	GZNBBCOPCJSQOU-LSFURLLWSA-N	508.239	4.985	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)cc3)n2-c2ccccc2)cc1	2334776	JJBPHYRMDSVFDN-CVKSISIWSA-N	522.428	4.948	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccc(OC)cc1	2531146	DPQONBZCILNFNL-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)sc2c1CCCC2	4283416	YZDRMKURSLHISU-KCSSXMTESA-N	607.685	4.909	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OCC)cc1	4293267	VLFCTUAZLRLKRY-UXHLAJHPSA-N	536.581	4.883	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1	4327218	AHTGMLBDWGOILG-YPKLGXIKSA-N	535.553	4.919	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(OCC)cc2)cc1	4355061	WOLZLKKTNSFLSQ-KBVAKVRCSA-N	582.451	4.736	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)n2-c2ccccc2)cc1OC	100611925	YAGVMYQRVLSDLI-RDRPBHBLSA-N	545.621	4.509	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccc(Br)cc2)sc2c1CCCC2	4209303	IWVGWXLLUQCOCU-CCVNUDIWSA-N	537.439	4.929	50	50	KJGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	4260605	VOKNTTYVQCFWCG-RWPZCVJISA-N	531.366	4.649	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1	4296394	QRONUCFNYIFWLW-WCMJOSRZSA-N	515.953	4.601	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OC(=O)c1ccc(OC)cc1	4354509	CGNMROIBIYBAOL-CVKSISIWSA-N	544.345	4.682	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)/C=C/c1ccccc1	2521763	XQVMXLKCGAECGU-QSYKBLARSA-N	512.349	4.710	50	50	KJGA	
COc1cccc(/C(C)=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1	100614087	FMUWBDMVEQQIFU-RDRPBHBLSA-N	547.637	4.601	50	50	KJGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	2543804	KZGSBTIUHACPGD-KVSWJAHQSA-N	596.208	4.697	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2	4259402	CAVNHTDLUIYCCU-PCHPKZPRSA-N	549.649	4.726	50	50	KJGA	
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	59735474	CJDFIVWFPWOFAV-VWLOTQADSA-N	530.562	4.999	50	50	KJGA	
O=C(CCCC[C@@H]1CCSS1)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F	585091597	KWKVGZCJFANBFO-AREMUKBSSA-N	777.893	4.502	50	50	KJGA	
O=C(CN(c1cccc(Br)c1)S(=O)(=O)c1ccccc1)N/N=C/c1c(O)ccc2ccccc12	2872984	OWDXXQAHYMPWON-JVWAILMASA-N	538.423	4.654	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)c(OC)c1	4354796	JGNYRXYQUZVRBT-LQKURTRISA-N	523.383	4.935	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2OC)ccc1OC(=O)c1ccc(Cl)cc1Cl	2531734	PGFJJBVAADWNDY-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccco3)n2-c2ccccc2)cc(OC)c1OC	100613884	YFNRJZUIOXBQHV-SKRCXDHISA-N	533.610	4.851	50	50	KJGA	
O=C(N/N=C/c1ccccc1I)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12	2103519	GPJLNBRKIQVJKF-LGJNPRDNSA-N	521.314	4.999	50	50	KJGA	
COc1ccc(CCNC(=O)CSC2=C(C#N)[C@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1	2849492	WXZIIBNNUYRBGF-SANMLTNESA-N	546.649	4.761	50	50	KJGA	
CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21	97972489	CVMXPPQBNJUHBS-PORFMREHSA-N	560.805	4.976	50	50	KJGA	in-vitro
CC(/C=C(\NC(=O)c1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])cc(Br)c1O)=C\c1ccccc1	101018855	RUVOGDRRKFBJKI-ABWKPORBSA-N	549.381	4.930	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)c1	2531555	ONLGLUZMYKJNFE-LGJNPRDNSA-N	559.214	4.828	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1	4282365	NBKJCAWHYQPNEL-OCSSWDANSA-N	530.606	4.595	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	2543999	HPNUSNQVYKOUGT-IXORVSQSSA-N	542.342	4.503	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OCc1ccccc1	4259331	DHCSEIIWSLTZQK-ZCTHSVRISA-N	522.561	4.615	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)nnc2-c2ccc(C)cc2)cc1	2705365	QNQFJBRFLWVZPA-CCVNUDIWSA-N	582.480	4.970	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(C)nn(-c4ccccc4)c3C)n2-c2ccccc2)cc1OC	843844	RDZHRCXQMXJBBT-FDAWAROLSA-N	567.675	4.996	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccccc1Cl	2518719	SWAYXPOEYNEXDK-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC	2553766	PQHCKIVCFNZCGY-UGGDBLJYSA-N	543.532	4.902	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)sc2c1CCCC2	4282820	KYWJEFCJGCPQRR-CCVNUDIWSA-N	551.422	4.569	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2OCC)cc1	4303377	LGEBWKYZHAAYKM-STBIYBPSSA-N	523.973	4.836	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1	4326729	QDMOMQYXKPSKTO-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1cc(CN2CCOCC2)cs1	12375400	JGPGKWAERFNHBN-QHCPKHFHSA-N	514.573	4.904	50	50	KJGA	
O=C(N[C@@H](C=NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	239203423	SJGZFGZWMHUDPF-AREMUKBSSA-N	543.476	4.671	50	50	KJGA	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1)c1ccc(Br)cc1	150643152	NVHSGNSGYGZLKE-VTLVALNESA-N	640.122	4.771	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)ccc1OC(C)=O	2083189	SNYZZTYPNJNVGA-AUEPDCJTSA-N	523.061	4.660	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)sc2c1CCCC2	4347424	KWSVLIXKSQAHMV-OCSSWDANSA-N	563.632	4.510	50	50	KJGA	
CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OC)c2)cc1	4230048	CQMRMJIBTFWBPI-RDRPBHBLSA-N	506.555	4.631	50	50	KJGA	
CC[C@@H](C(=O)NNc1ccc(-c2cccc(C(F)(F)F)c2)nn1)n1nnc(-c2ccc(Cl)cc2)n1	1875352140	VCVBLAHKYTWKLN-SFHVURJKSA-N	502.888	4.564	50	50	KJGA	
N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1	20533883	ZVVNKUNSPPUAPY-FOWTUZBSSA-N	508.962	4.675	50	50	KJGA	
N#C/C(=C/c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)C(=O)Nc1ccc(S(N)(=O)=O)cc1	20533888	QGECWNDKQIPRCR-BOPFTXTBSA-N	508.962	4.675	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	252693664	FKOVEMMPJVJFPM-YBTFLWTCSA-N	580.726	4.774	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)n2-c2ccc(C)cc2)cc1	1241894	ALMLWEZUEJZHHL-VUTHCHCSSA-N	531.638	4.901	50	50	KJGA	
CCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1	239305863	GCIKBNPTOHPCSJ-GFBDQPOWSA-N	527.253	4.845	50	50	KJGA	
CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)/C=C/C(=O)N/N=C1/[C@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@H]2Br	261490466	NUHNIPNJEMPNDO-ZAFWZJKESA-N	570.370	4.926	50	50	KJGA	
O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	2521899	DDLGTDVHYADFGX-RPPGKUMJSA-N	516.362	4.665	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	2529625	IQAVVKKQCSESLH-IPPBACCNSA-N	500.382	4.851	50	50	KJGA	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(OC)cc1Br	2588794	DPPSJSSLBQGYIY-NRFANRHFSA-N	555.454	4.758	50	50	KJGA	
O=C1OC(=O)[C@@H]2[C@@H]1[C@@H](c1cccc(F)c1)N(c1ccc(Cl)c(Cl)c1)C21C(=O)c2ccccc2C1=O	227194867	AHZRNIBQIUSMGP-QHAWAJNXSA-N	510.304	4.828	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1	2532232	DSHWPHPRBUGOOV-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)sc2c1CCCC2	102317388	FHUOMRIATSZBSN-KBVAKVRCSA-N	593.658	4.519	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1OC	2542903	FLHFQYXGPRAWKF-KPGMTVGESA-N	545.979	4.610	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1OC	2544477	DNIIUIADOMAVMM-KPGMTVGESA-N	590.430	4.719	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)n2-c2ccc(Cl)cc2)cc1	53276016	CZKGPSAGRRUXRI-WKULSOCRSA-N	568.055	4.865	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2-c2ccc(C)cc2)cc1	9210993	VAJNMPACSGBVMD-OVVQPSECSA-N	516.583	4.792	50	50	KJGA	
C[C@@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253498032	FKOVEMMPJVJFPM-APKCACDFSA-N	580.726	4.774	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C)cc2)cc1	2531571	HGNRELJLSFCSMA-JFLMPSFJSA-N	511.372	4.905	50	50	KJGA	
Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	4209783	LNIIKXULJZLJQH-MZJWZYIUSA-N	542.038	4.511	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1	4283092	DIINXGIKGBJZGA-IPPBACCNSA-N	536.817	4.835	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc(OC)c1OC(C)=O	1897779	FHVDQGDIYATOHH-WKULSOCRSA-N	566.039	4.773	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1	4347264	FTIGLKCJTHDUEG-IPPBACCNSA-N	603.267	4.710	50	50	KJGA	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1	1753047	RZAXMWHIGANRBX-RWPZCVJISA-N	536.013	4.625	50	50	KJGA	
C=C[C@@H](C)[C@H](OCOCCOC)[C@@H]1O[C@H]1[C@@H](O)CC[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C	216532213	RTZZKJSNABXFEF-FLEOUKIISA-N	514.852	4.994	50	50	KJGA	
COc1ccc(NC(=S)NNC(=O)c2ccc(COc3ccccc3Br)cc2)c(OC)c1	2794406	GIOZHZWNSCOQIS-UHFFFAOYSA-N	516.417	4.677	50	50	KJGA	
CC(C)OC(=O)c1ccc(-c2ccc(C=NNC(=O)C(=O)N/N=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)o2)cc1	245227816	QMNLDLKBJOVHBC-YKBZFZJCSA-N	598.612	4.937	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2	2530377	BWIPRXWGDNMUDY-OPEKNORGSA-N	501.720	4.814	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1	2544020	LANZTBVHFBMCIT-MZJWZYIUSA-N	544.789	4.809	50	50	KJGA	
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	59596598	CQMYQWJBTKDYEW-QHCPKHFHSA-N	533.635	4.564	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)cc1OCc1cc(C)c(Cl)c(C)c1	2520738	MGRMAWCJMXZXGO-XAZZYMPDSA-N	573.013	4.521	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1	100613944	RZZOJBYZRYHRRV-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2F)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1	4231945	AOVHEIFICDRLLR-RDRPBHBLSA-N	517.538	4.610	50	50	KJGA	
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CC(C)(C)C3)cc1COc1ccccc1[N+](=O)[O-]	8456192	ABUOYNJHOFLQBW-GDLZYMKVSA-N	629.695	4.771	50	50	KJGA	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1	705876	MMYOQVNGXXIULM-FQEVSTJZSA-N	525.428	4.750	50	50	KJGA	
C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	709380	FLRRCRRRXYWICA-GFCCVEGCSA-N	538.313	4.950	50	50	KJGA	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1	1304920	SLYZWMQQXVGGEJ-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
Cc1cc(Br)cc(Br)c1NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl	100683491	NDJLPYJICPLGJG-JTQLQIEISA-N	546.927	4.858	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)sc2c1CC[C@@H](C)C2	4259528	MCCBCBDVWBTRHB-TXMABLNQSA-N	505.596	4.931	50	50	KJGA	
Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccccc3)cc2)cc1	4260550	YQGBWRSQHIHODR-FMFFXOCNSA-N	579.682	4.855	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2Cl)cc1	4261130	QWGPPLFOSVZFQP-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
CC(C)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	239174433	QAPPVUHPVCRZLK-IVDQOWPYSA-N	624.153	4.912	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc(OC)c1O	863902	BBMNORVTPKDRJN-CCVNUDIWSA-N	538.029	4.861	50	50	KJGA	
COc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)S(=O)(=O)c1ccc(Br)cc1	2344119	QIZIOIBJOQSQNC-NBVRZTHBSA-N	538.379	4.596	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1	4327334	QUZGQYPFWGPVHT-WJGWSCHNSA-N	511.918	4.784	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1OC	2553288	NLJMYFIFXGVGSY-AMVVHIIESA-N	552.008	4.671	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1Br	2703045	RWLCNXFODDODMQ-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cc(Br)cc(Br)c1O)C(C#N)=C(N)O2	1209861	ODIWLIOSMLUVAX-SFHVURJKSA-N	516.193	4.689	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2OC)cc1	4302416	PWDUYWWGZJKOHO-LQKURTRISA-N	554.397	4.555	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2OCC)cc1	4347193	XSWWBLJLMGHKPI-ADXYVXIDSA-N	521.526	4.529	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	43190554	WSAOVKUINBNCLP-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4302930	QZTBGAZHNNWHMD-QCLOQBNLSA-N	553.527	4.951	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	2544475	MKEGYHGYXVDYIE-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
COc1cc([C@@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	2597496	REPLSRFOFPLGDD-HSZRJFAPSA-N	504.543	4.561	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)cc(Br)c3O)nc3ccccc3c2=O)cc1	150373158	GBAIHBFJWJQXGX-KKMKTNMSSA-N	618.307	4.867	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1cccc2ccccc12	2520735	OTBBAOSRZJVBLF-DPNNOFEESA-N	574.601	4.794	50	50	KJGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4331042	ARPHAPMBJKVRAX-UXHLAJHPSA-N	539.500	4.562	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	4347354	OEKZEUKFPNMSBH-WJGWSCHNSA-N	556.369	4.893	50	50	KJGA	
CCCCC[C@@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	64858240	CVMXPPQBNJUHBS-HTMVAUSRSA-N	560.805	4.976	50	50	KJGA	in-vitro
CCOC(=O)C1=C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)N[C@@H]1c1ccccc1	100722426	CXEHPXUUZAVYSC-SSEXGKCCSA-O	521.577	4.852	50	50	KJGA	
N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(F)cc1F	1775975246	GDCSRAIUVIOZOR-OAQYLSRUSA-N	519.323	4.713	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)cc3)cc2OCC)cc1	4287119	JAUFSQFIWNJAES-STBIYBPSSA-N	523.973	4.836	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Br)c3)n2-c2ccccc2)cc1OC	1897384	BROLEYPJLVVWQR-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)C(=O)Nc1ccc(Br)cc1	2506484	JWZIGUKVKPOXGS-DHRITJCHSA-N	531.204	4.879	50	50	KJGA	
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)c1	2520219	PDBCJKSJVCYPKS-BIZUNTBRSA-N	534.572	4.864	50	50	KJGA	
Cc1nnc(SCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)n1-c1ccccc1	8666729	DWUQVNSJSQCZJB-MUFRIFMGSA-N	511.586	4.810	50	50	KJGA	
Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)cc2)cc1C	239259390	ZDHRWJKLPPRNLU-YQLZSBIMSA-N	589.280	4.625	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)cc1	2529632	CMAQSULDCUYQCW-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1	2542589	PYRBXIIVBAIHGU-WCMJOSRZSA-N	591.405	4.852	50	50	KJGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	4283048	PAOJDCZHVNNCFT-OKCVXOCRSA-N	577.378	4.544	50	50	KJGA	
O=C(Cn1nnc(-c2ccccc2)n1)N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	31908060	FEYDANQFIZKGJT-QDTIIGTASA-N	504.381	4.800	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1OC	102317551	ZKUCKFRMOFBBJZ-KPGMTVGESA-N	545.979	4.610	50	50	KJGA	
CCn1c(SCC(=O)N/N=C/c2cc(Br)cc(Br)c2O)nc2ccccc21	1477333	FWQYLWWJGUALRW-ZVBGSRNCSA-N	512.227	4.529	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2cccc(OCc3cccc(Br)c3)c2)sc2c1CCCC2	4210340	QYFWHHDATNMNAJ-CCVNUDIWSA-N	537.439	4.929	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	2542438	XCXPUVPFRNTIKI-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4295712	APYRAYSFLJYSOX-FDAWAROLSA-N	591.462	4.820	50	50	KJGA	
O=C(NN=C1CCC(=NNC(=O)c2cccc(Br)c2)CC1)c1cccc(Br)c1	1231902	ROFYGQKCXCRIDL-UHFFFAOYSA-N	506.198	4.657	50	50	KJGA	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1cccc(C)c1	2520335	KVDRLULQBVAEPP-LQKURTRISA-N	535.398	4.663	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)ccc1OC(=O)c1ccc(C)cc1	4231934	JMPWQGBJBCLPQJ-NDZAJKAJSA-N	543.601	4.788	50	50	KJGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nc2ccccc2n1Cc1ccc(C)cc1	13205483	MRUUIBXWLIJBRW-RWPZCVJISA-N	504.612	4.661	50	50	KJGA	
CCCCC[C@H](O)/C=C/C=C/C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21	64858226	CVMXPPQBNJUHBS-HJUDNJPVSA-N	560.805	4.976	50	50	KJGA	in-vitro
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)sc2c1CC[C@H](C)C2	4327214	RPDBSNKGRIDBAS-YBHBXUITSA-N	589.670	4.766	50	50	KJGA	
O=C(N/N=C/c1ccccc1Br)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	4282622	LKZBSXQEVDTUTL-DHRITJCHSA-N	544.203	4.553	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OC(=O)c1ccccc1Cl	2543162	DDTUOOGLJQSKAY-DHRITJCHSA-N	534.737	4.936	50	50	KJGA	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@H]1c1ccc(OC)cc1Br	2588793	DPPSJSSLBQGYIY-OAQYLSRUSA-N	555.454	4.758	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccc(C(=O)O)cc1	2327146	OZOXQHDONLETIW-VULFUBBASA-N	536.411	4.637	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Br)n2-c2ccccc2)cc1	2330625	NUENWVHVGQBIJF-CVKSISIWSA-N	522.428	4.948	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1	2531920	OMYKTVPGTCNKOT-MZJWZYIUSA-N	544.789	4.809	50	50	KJGA	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)c1	4259350	MTGZSNPEPAQILN-JFLMPSFJSA-N	502.372	4.699	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2OCC)cc1	4347499	YPBQTDUNXBQRGV-IBBHUPRXSA-N	558.418	4.890	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	8442814	NLKHCFYZJUFSSF-HRJIBFCWSA-N	560.072	4.631	50	50	KJGA	
O=C(N/N=C1/C(=O)N(CCc2ccccc2)c2ccccc21)/C(=C\c1cccs1)NC(=O)c1ccccc1	16677549	NBSLCKVWOFHQHH-RUTSZZEZSA-N	520.614	4.629	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	4231840	WNIPBYJZCUEJQA-VUTHCHCSSA-N	513.575	4.779	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2)cc1	4258583	YIRBWZXFUHZRAZ-IPPBACCNSA-N	521.982	4.663	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)c1ccc(Cl)cc1	102316222	AYMPCYHMKYPULH-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
CC(C)C/C(CC(=O)CCC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)c1cc2ccccc2cc1O	101078137	VKNRUNFMKDDCJL-ZTKZIYFRSA-N	504.543	4.964	50	50	KJGA	
Cc1cc(C)n(-c2oc(-c3ccccc3)nc2C(=O)NNC(=O)c2nc(-c3ccccc3)oc2-n2nc(C)cc2C)n1	2050024968	KWSFPJKWQUJUTP-UHFFFAOYSA-N	562.590	4.676	50	50	KJGA	
Cc1ccc(/C=N/NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)c(C)c1C	2901880	TYPIHNKPIMGBPK-WKULSOCRSA-N	503.546	4.976	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1	4282082	GGQADGMFOJIRMP-YDXZNLTOSA-N	540.801	4.601	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	102316082	GDKHHVBHNORQST-RPPGKUMJSA-N	582.181	4.906	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2529648	KMPPKYIQUBLAIY-XKJRVUDJSA-N	534.783	4.755	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	2544236	GXXOQLIHQIDHNL-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
Br[C@H]1CC2[C@@H]3C[C@H](Br)C4(OCCO4)[C@@H](Br)C[C@@H]2C3C[C@H]1Br	257356262	HDLGCJXUEHUUDW-HBHHPBINSA-N	551.939	4.850	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc(OC)c1OC	1239304	KLIAGTDQFASWIN-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1	2532007	HXARDBFCEOWPKE-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
CCOc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1OC(=O)c1cccs1	3672407	QDCRFSXDVDPRPF-FQEVSTJZSA-N	509.540	4.725	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1OC	1763714	MLWFFRIQVJQOQZ-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2OC)cc1	4283355	WAWVGFDUWLGMLT-RDRPBHBLSA-N	506.555	4.874	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OCC)c2)cc1	4302828	GNPFKDDKSAESEV-IBBHUPRXSA-N	558.418	4.890	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1	102316215	VZBCTVPWHRVYRU-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2OC)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	150352369	LJMLWMWNOFMDLD-KKMKTNMSSA-N	637.237	4.885	50	50	KJGA	
COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)[C@]3(C)CC3(Br)Br)c2)cc1	8454265	XJIWWZSAFIEIFW-WMPMWDHYSA-N	537.252	4.613	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(C)cc3)s2)cc(Br)c1O	2252361	QNTCYMXUTIABDF-LSFURLLWSA-N	539.502	4.858	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)c(OC)c1	4347456	KEJQMJVJZNIGNR-OKCVXOCRSA-N	583.435	4.952	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	2543735	NNTMLIWSNOJSOS-KVSWJAHQSA-N	593.659	4.964	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1	2542789	XORNCFJVUBRMMM-KCSSXMTESA-N	509.562	4.646	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)/C=C/c2ccccc2)cc1	4282308	MLRULZPQWGLZNN-VBZXHFNLSA-N	536.382	4.555	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2OC)cc1	4282400	WBVISSCZRIWTIM-RDRPBHBLSA-N	506.555	4.631	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1	4355134	LIVYIDWUTWPADE-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccccc2OCC)nnc1-c1ccc(Br)cc1	2387741	RHOBKBNNCXYTGY-DHRITJCHSA-N	514.449	4.925	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1cccc2ccccc12	2552849	DXYIOHUBNZKBEA-LQKURTRISA-N	516.351	4.910	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1	4258721	NMDJXTGXMMERPZ-OCSSWDANSA-N	507.974	4.618	50	50	KJGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccccc1OCc1ccc(Br)cc1	4330660	FPJZEXLZYWMIFE-UVHMKAGCSA-N	592.231	4.513	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)cc2OC)cc1	4230260	PVISKBDPHRWEOG-KBVAKVRCSA-N	538.000	4.627	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)ccc1OC(C)=O	13205311	TWCQETLVQRVPCZ-CCVNUDIWSA-N	523.014	4.914	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2521807	OEHWKXRRSFWFFD-AMVVHIIESA-N	528.392	4.800	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc2c(c1)OCO2	2530363	XNJDRBBCBYTOGS-OCSSWDANSA-N	508.486	4.618	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1	2543010	VRQUPMDLVCVXBD-WCMJOSRZSA-N	515.953	4.601	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1	4355255	KFXPGDJCNFLFET-AMVVHIIESA-N	544.391	4.500	50	50	KJGA	
COc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1	2321298	UMPAFRJXXRTHSY-CVKSISIWSA-N	522.428	4.948	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1	2518580	IBQDTCAPRLTHRR-LGJNPRDNSA-N	516.779	4.779	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2543813	WEYLNUWSRNXSMT-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)ccc1O	2234100	QTEHGIPRVUNLCT-JFLMPSFJSA-N	508.003	4.934	50	50	KJGA	
CCOc1ccc(/C=N\NC(=O)CCCCCCCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)cc1OC	102263770	QXOPTPCVGKKBLN-IZDIRFCDSA-N	540.661	4.832	50	50	KJGA	
O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1	2521846	SPOAQEMTEMFUSE-RPPGKUMJSA-N	516.362	4.665	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)cc2)c1	4232105	UZTHFWDITZQCQX-VUTHCHCSSA-N	513.575	4.779	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OC(=O)c1ccc(C)cc1	4259616	JJUVTUKCAGBGSR-HNSNBQBZSA-N	564.598	4.872	50	50	KJGA	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	4259522	CPAZVADOLYZJEC-DHRITJCHSA-N	532.188	4.960	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/C(C)=C/c3ccco3)n2-c2ccccc2)cc1OC	4468609	BQDYWPSXHQFOES-DXSSFCHOSA-N	503.584	4.842	50	50	KJGA	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)c1ccc(Br)cc1	150365011	NVHSGNSGYGZLKE-AOWGFEFVSA-N	640.122	4.771	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2OCC)cc1	4347484	DCPVLVCVRDKZJT-VFKGCLKRSA-N	535.553	4.919	50	50	KJGA	
Cc1c(C)c(C)c(S(=O)(=O)N2CCC(C(=O)N/N=C/c3ccccc3Br)CC2)c(C)c1C	20293900	PTFMVVXSCSAKKY-VULFUBBASA-N	520.493	4.542	50	50	KJGA	
O=C(NCCSSCCNC(=O)[C@H]1CCOCC12CCCCC2)[C@H]1CCOCC12CCCCC2	1875370008	WLBDJMTUSMJUAK-FGZHOGPDSA-N	512.782	4.574	50	50	KJGA	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	2530638	UVEHIFZOHWNRNL-BRJLIKDPSA-N	532.734	4.759	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	2544372	ROVDAPNKUMNLNI-ATZGPIRCSA-N	582.638	4.977	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Br)cc1	4230316	IXMNSDJVWXYVJH-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)c(OC)c1	4283111	XZQYRSSOKIDBNR-ZCTHSVRISA-N	532.593	4.969	50	50	KJGA	
O=C(OC[C@H](Br)CBr)[C@@H](Br)[C@H](Br)c1ccccc1	101357479	AJFWWQOEPPDCKX-MXWKQRLJSA-N	507.842	4.588	50	50	KJGA	
Cc1ccc(OCC(=O)N/N=C\c2c(Br)cc(Br)c(O)c2Br)cc1	100432546	ZFQCCGDBDPSZEM-SCDVKCJHSA-N	521.003	4.517	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)sc2c1CC[C@H](C)C2	4283446	KCXWXNQBHSZXMU-NNSKLCRTSA-N	577.659	4.756	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1OC	2553068	GMYUJPTXFMJWGC-MUFRIFMGSA-N	529.505	4.514	50	50	KJGA	
O=C(CCC(=O)N/N=C/c1cc(Br)cc(Br)c1O)N/N=C/c1cc(Br)cc(Br)c1O	4527578	OFLYFLCKRQFVLL-ZPNKGADNSA-N	669.950	4.528	50	50	KJGA	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)CCC(=O)N/N=C/c1cc(Br)ccc1OCC=C	4527592	ULNINHFJUKFIIQ-DPCVLPDWSA-N	592.288	4.722	50	50	KJGA	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1	102291233	PWJNDEIXWCTCGJ-FMFFXOCNSA-N	548.647	4.999	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)cc2OC)cc1	4295904	ZMVLCBVZYMDGGT-IBBHUPRXSA-N	558.418	4.890	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	4302565	QLNUQEODXPPXSL-OKCVXOCRSA-N	509.990	4.597	50	50	KJGA	
C[C@@H]1O[C@@H](Br)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1	97944307	ZNQXFYBHGDPZCZ-QTTGFBFGSA-N	539.378	4.803	50	50	KJGA	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	2531371	XNAYFLWIFRJRFR-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
N#CC1=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccc(OCc2ccccc2)cc1	12276862	FHDBIKDKSKRFJY-QHCPKHFHSA-N	514.563	4.884	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1	4326664	RDXGKFGLGJGSHG-KBVAKVRCSA-N	582.451	4.736	50	50	KJGA	
COc1ccc(Nc2ccc(C(=O)NN=Cc3ccccc3OC(F)F)cc2S(=O)(=O)C(F)F)cc1	252680290	YPLIPOAALPXZKT-UHFFFAOYSA-N	525.480	4.800	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2521805	NTYHBZDQNHALFI-XODNFHPESA-N	518.328	4.839	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(I)cc1	239415299	UDMGQHNEFYXKCV-CRCHGLNGSA-N	638.138	4.568	50	50	KJGA	
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1	2520364	GZXYXYVVAVOMPC-ZCTHSVRISA-N	506.562	4.915	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1ccccc1Cl	2532197	NDEURONBYPZGPP-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1	4260841	PMKJXEXXPQEMBC-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
O=C(N/N=C(/c1nc2ccc(Cl)cc2nc1O)[C@@H](O)c1ccc(Cl)cc1Cl)c1ccncc1	17211957	YBDXCIONGCJFGM-BEBKROGQSA-N	502.745	4.558	50	50	KJGA	
C[C@@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253498033	FKOVEMMPJVJFPM-CLEJLTFESA-N	580.726	4.774	50	50	KJGA	
COc1ccccc1/C=N/NC(=O)COc1c(Br)cc(Br)cc1Br	2894759	BMGKOJHZEMBEJC-DNTJNYDQSA-N	521.003	4.512	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1	4230042	PEDXFSYZKZOSIR-BIZUNTBRSA-N	534.572	4.864	50	50	KJGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1	2542586	QWQHTKHKCWQDMF-OKCVXOCRSA-N	577.378	4.544	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(Br)cc2)cc1	4283509	GMWKBIUKUCMSON-LGJNPRDNSA-N	562.214	4.969	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c(OC)c1OC	9317114	MZAZUODASKRHDL-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c(OC)c1OC	100743244	LAAVKEQXIKJNBV-AUEPDCJTSA-N	525.077	4.752	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2-c2ccccc2)cc(OC)c1OC	1826152	GHGDMXMYWLJACL-IPPBACCNSA-N	556.019	4.995	50	50	KJGA	
C=CCOc1ccc(Br)c(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)c1	4210501	IMECQCWZRGDBNJ-OPEKNORGSA-N	506.809	4.762	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)NCc1ccccc1)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	12250259	JQIZOICCZIQHJO-XMMPIXPASA-N	502.596	4.710	50	50	KJGA	
OC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95681791	JIDYQTCBVGBFDH-GSVOUGTGSA-N	504.024	4.911	50	50	KJGA	in-vitro
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1	2532109	PRKYXKAPPZTXHB-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	4287628	INVYKKBMJKFHKM-FJEPWZHXSA-N	572.843	4.991	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)n2-c2ccccc2)cc1OC	2388992	JRBXXQDYUHLCAG-MZJWZYIUSA-N	553.000	4.756	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	4302516	TYDRHWKKVBXXLO-HIWRWHBISA-N	604.443	4.517	50	50	KJGA	
C/C(=N\NC(=O)c1nn(C)cc1I)c1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)c1	4489307	XRLIOLIYGNOZLZ-FYDYWCEBSA-N	579.826	4.547	50	50	KJGA	
COc1ccc(CO[C@H]2C(=O)[C@]3(C)[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@@]4(CO4)[C@H]3[C@H](O)C(=O)[C@@]3(O)CC[C@H]2C3(C)C)cc1	169836676	DOPPUSSVIBHHSI-FLJNDQTNSA-N	602.841	4.836	50	50	KJGA	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1	4210134	NMALQCRNLYBVHM-UVHMKAGCSA-N	562.456	4.856	50	50	KJGA	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	4366077	OFZXXXDBDZJFIY-DHRITJCHSA-N	579.188	4.802	50	50	KJGA	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	1171929	ZTPBCXYEENWHJB-FTJBHMTQSA-N	527.602	4.897	50	50	KJGA	
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	9075336	RDZKCZLLCTZRHC-VWLOTQADSA-N	502.571	4.803	50	50	KJGA	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1	1798737	CTGBXHDCDGRUQG-JFLMPSFJSA-N	505.987	4.617	50	50	KJGA	
O=C1OC(=O)[C@@H]2[C@H]1[C@@H](c1cccc(F)c1)N(c1ccc(Cl)c(Cl)c1)C21C(=O)c2ccccc2C1=O	227194878	AHZRNIBQIUSMGP-PCCBWWKXSA-N	510.304	4.828	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	4335669	SQFLPNSBWIWXJF-JFLMPSFJSA-N	556.369	4.894	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1	2543203	YLXIMILFYUEJDA-OCSSWDANSA-N	535.585	4.975	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1	4260927	GNEMEXPADROFGA-MXVWKOHNSA-N	546.583	4.955	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2OCC)cc1	4347192	XSWWBLJLMGHKPI-OQIQZUQJSA-N	521.526	4.529	50	50	KJGA	
NS(=O)(=O)c1ccccc1C(=O)N/N=C(\c1ccccc1-c1ccccc1)[C@@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1OC(=O)c2ccccc21	150661943	GZHQFZRPWIXPLD-WTOFSDKRSA-N	717.716	4.779	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(C)cc3)n2-c2ccccc2)cc(OC)c1OC	1474796	JANIBWAERQODBI-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	2531751	HLWURLUBIAOQNH-FJEPWZHXSA-N	595.475	4.968	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	2553730	FVMFCASIMYPPNC-KBVAKVRCSA-N	544.560	4.866	50	50	KJGA	
C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCCC)cc2)c(OC)c1	4283482	SGBPSCIFJOMBRU-NDZAJKAJSA-N	502.567	4.961	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OCC)cc2)cc1	4335741	HSPADLRMIVJYFW-KBVAKVRCSA-N	582.451	4.736	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2584715	WANIHJZYUWPRFR-RPPGKUMJSA-N	518.309	4.659	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	2543035	LSORICWNHWSWFR-OJPXDDBDSA-N	513.506	4.893	50	50	KJGA	
N#CC1=C(N)Oc2nc(SCc3ccccc3Cl)nc(N)c2[C@H]1c1cccc(Br)c1	1430918	UIDVBSOPTDOKLN-INIZCTEOSA-N	500.809	4.985	50	50	KJGA	
Cc1ccc(C)c(C(=O)COC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@H]5Br)[C@@H]4C3=O)c2)c1	239164977	NGEQYPKGUDSINL-YQLZSBIMSA-N	589.280	4.625	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1	2543283	OXWIPVODQMQOJY-VTNSRFBWSA-N	529.980	4.991	50	50	KJGA	
CCCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1	239305866	GCIKBNPTOHPCSJ-YEYGNOCGSA-N	527.253	4.845	50	50	KJGA	
CCOC(=O)c1sc(NC(=S)NNC(=O)[C@@H](C)Sc2nc3ccccc3s2)c(C(=O)OCC)c1C	59602979	UMSILCVOEPOLPM-GFCCVEGCSA-N	552.725	4.518	50	50	KJGA	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1	1171928	ZTPBCXYEENWHJB-IZZNHLLZSA-N	527.602	4.897	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1Cl	2531274	ZYSATVFPVDTRBO-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCCC)cc3)c(OC)c2)c(OC)c1	4302963	ANYPPEKAJPGNNU-ZCTHSVRISA-N	532.593	4.969	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@@]12ON=C(C(=O)OCC)[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	118913457	IJKPEDMDYLWPMU-HXJUZHDGSA-N	557.688	4.917	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccccc1Cl	2509165	BFZBVZZAERKFKG-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccccc3I)cc2OC)cc1	2543241	XPRIHMJUUMZIBR-CVKSISIWSA-N	544.345	4.682	50	50	KJGA	
N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(Br)cc3)ccc2[C@H]1c1ccc(F)c(F)c1	1857799701	UTGWKVLKQRPOGC-OAQYLSRUSA-N	519.323	4.713	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc(OC)c3)n2-c2ccc(C)cc2)cc1	1310412	XWJGAPRHBUTEGS-TURZUDJPSA-N	501.612	4.892	50	50	KJGA	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1	2531445	SHFVGYRBBAJIEY-JFLMPSFJSA-N	527.371	4.848	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2C)cc1	2531493	LFUMMVYTHQXRDB-JFLMPSFJSA-N	511.372	4.905	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3Cl)cc2OC)cc1	4335752	CKLLHULJOBCRFW-STBIYBPSSA-N	523.973	4.836	50	50	KJGA	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc(Br)c(C)o3)cc2)S(C)(=O)=O)cc1C	853152	LIRCEXPYRDTQTN-DHRITJCHSA-N	518.433	4.697	50	50	KJGA	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1)c1cccc(Br)c1	2848698	GONMLTMIZSIGHX-BKHCZYBLSA-N	528.204	4.739	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2531310	CEYSXUVGPXSHEE-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
Br[C@H]1C[C@H]2[C@@H]3C[C@H](Br)C4(OCCO4)[C@H](Br)C[C@@H]2[C@H]3C[C@H]1Br	257356263	HDLGCJXUEHUUDW-NLUSGOEYSA-N	551.939	4.850	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2-c2ccccc2)cc1OC	33353446	SEPYAPVIUIVOIU-CCVNUDIWSA-N	525.993	4.986	50	50	KJGA	
N#C/C(=C(/S)NC(=O)c1ccc([N+](=O)[O-])cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	101126150	DSXUCNCTQMYZFH-SGEDCAFJSA-O	510.535	4.941	50	50	KJGA	
Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C	239174002	PCASIOHQAXUWBN-YIMZLLHESA-N	589.280	4.625	50	50	KJGA	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1	2532103	AIWHXJWONLUDTM-KBVAKVRCSA-N	560.452	4.971	50	50	KJGA	
CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)nnc1-c1ccc(OC)cc1	100666457	DRQOSEFTUXTOBK-STBIYBPSSA-N	531.638	4.804	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@@]12ON=C(C(=O)OCC)[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253505599	IJKPEDMDYLWPMU-NRHLWLGASA-N	557.688	4.917	50	50	KJGA	biogenic
Cc1cc(/C=N/NC(=O)c2cc(Br)c(O)c(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	1179060	DUGCMEGLYHBMAR-AUEPDCJTSA-N	536.180	4.997	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)sc2c1CC[C@@H](C)C2	4230291	VPVHGIWQSYEQKA-AASYHSMQSA-N	547.633	4.666	50	50	KJGA	
O=C(CC(=O)N/N=C/c1ccccc1OCc1ccccc1)N/N=C/c1ccccc1OCc1ccccc1	4527767	YXVWYXXVNLBVMO-YMQWWVFYSA-N	520.589	4.835	50	50	KJGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OC)cc2)c(OC)c1	102267158	ZUZIFWFPSUCLTD-NDZAJKAJSA-N	511.619	4.630	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1	19898985	QOKZDRFAKYYXGY-ZEQRLZLVSA-N	510.594	4.588	50	50	KJGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cc(Br)cc(Br)c1O	2320750	HEQPITRTSFGLPN-FBCYGCLPSA-N	501.225	4.769	50	50	KJGA	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12	2542946	BKZQKNXHEPCQHX-IBBHUPRXSA-N	503.917	4.732	50	50	KJGA	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccc(OC(=O)c2ccc3c(c2)OCO3)c1	2900085	HVRLDPOSAAGHDN-KBKYJPHKSA-N	531.746	4.580	50	50	KJGA	
CCOc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1OC(=O)c1cccs1	3672408	QDCRFSXDVDPRPF-HXUWFJFHSA-N	509.540	4.725	50	50	KJGA	
CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccc(SC)cc2)cc1	1775975978	HTDJLTVZMKMMOJ-DEOSSOPVSA-N	522.604	4.571	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1nnc(-c2ccccc2)s1	2532167	LATVNNAHVLMYTI-MZJWZYIUSA-N	564.421	4.584	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1OC(C)=O	51075670	LYMSLRFUUJQECR-WKULSOCRSA-N	532.622	4.578	50	50	KJGA	
CC(C)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	150447654	QAPPVUHPVCRZLK-PTQKIRAOSA-N	624.153	4.912	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OCC)cc1	4292628	RJCHXIINQRWOBJ-KBVAKVRCSA-N	560.632	4.604	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	2532021	VMZHSOJACSNVHW-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC(C)=O)cc3)n2-c2ccccc2)cc(OC)c1OC	100614103	GPKCKXLBTIEDJQ-UXHLAJHPSA-N	575.647	4.518	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(OC)c1	2352762	JDWZPJNFXSVPQM-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	59646791	YJNMFAGIJBZZKZ-STBIYBPSSA-N	588.086	4.757	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	4326659	OYJOGYRXBOQAFM-XKJRVUDJSA-N	626.234	4.706	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C(=O)N/N=C/c3ccc(N(CC)CC)cc3)c(C)nc2C)cc1	100189492	WMNXAUPYQCLWRY-YMQWWVFYSA-N	541.700	4.919	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2cccc(I)c2)cc(Br)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	150395537	LPGDLHLQIMOASN-WYMPLXKRSA-N	660.240	4.502	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1Cl	2518563	ZVFVYLHEBNFMLP-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cccc(Cl)c2)cc1OC	2531572	OEUIAKNVLORMOP-UVHMKAGCSA-N	547.789	4.868	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1	4302874	PULJXSTVIVXYGC-ADXYVXIDSA-N	521.526	4.529	50	50	KJGA	
O=C(N/N=C/c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4360248	PYTFEDNLZKYPSU-FDAWAROLSA-N	547.011	4.711	50	50	KJGA	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)c1	4302857	OGIPYNCLHQYTIW-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
Cc1cccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)COc2ccc(I)cc2)c1	102307180	RKHPPZHVTADHDZ-JFLMPSFJSA-N	536.373	4.981	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(I)cc1	229977472	UDMGQHNEFYXKCV-RFPOMQOQSA-N	638.138	4.568	50	50	KJGA	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1cn2cc(C(F)(F)F)cc(Cl)c2n1	263639861	MKMYYQOWVFOEEE-UHFFFAOYSA-N	516.238	4.837	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccccc1OCc1ccc(Br)cc1	4259670	PQOLZNRUDWSOFO-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1OC	2331652	BVVIUCHVQBTGLX-LQKURTRISA-N	501.612	4.811	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1	2531199	CTNGTLUDRHDPAZ-RDRPBHBLSA-N	509.474	4.797	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2Cl)cc1	2531646	GOCWHBWYWLFQEN-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	4229984	POTQPXZKTMJPHZ-WKULSOCRSA-N	525.989	4.640	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Br)c3)cc2)cc1	4335665	DRMDQRVCQAJZMU-OCSSWDANSA-N	552.425	4.727	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O	16666953	TWNFOAQUERPHBR-CZYCKNNWSA-N	526.634	4.616	50	50	KJGA	
Cc1ccccc1NC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	239174174	PKSKJABNRUWCNU-GFBDQPOWSA-N	532.232	4.530	50	50	KJGA	
COc1ccccc1/C=C/C=N/NC(=O)c1cc(C(=O)N/N=C/C=C/c2ccccc2OC)c(C)nc1C	1879720	GHNFNTVEFKPPRX-PAWBVQHPSA-N	511.582	4.574	50	50	KJGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1	2391566	MGCTXMOHQVVMNA-MZJWZYIUSA-N	507.955	4.871	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)ccc1OC(C)=O	1745915	JKKUSOBNJDLYMC-MUFRIFMGSA-N	529.622	4.727	50	50	KJGA	
CCOc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(OC)c(OC)c1	2531619	PBICIIHJEUDEAH-JFLMPSFJSA-N	527.371	4.848	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1	2531877	OJBDSGSAROFCRF-VULFUBBASA-N	542.342	4.504	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Br)cc3)cc2OC)cc1	4331029	ORNQRUSFNMYQLU-LQKURTRISA-N	541.398	4.995	50	50	KJGA	
COc1ccc(-c2c(C)sc(NC(=O)c3ccccc3)c2C(=O)NNC(=S)NC(=O)c2ccccc2)cc1OC	59612131	DDRJMJOCSMOIBL-UHFFFAOYSA-N	574.684	4.942	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)nnc2-c2ccccc2)cc1	100691602	DVGKXCPRHLVRHA-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	59735875	XKJVNDJVCIPCED-NDEPHWFRSA-N	584.654	4.894	50	50	KJGA	
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](C(=O)O)N2	229799167	SUNBETZXGKUILP-AYFIHYEISA-N	504.008	4.827	50	50	KJGA	
COc1cc([C@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC	713637	OZWUWCSIINGBDH-QFIPXVFZSA-N	510.388	4.780	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(O)c(OCC)c2)nnc1-c1ccc(Br)cc1	2522036	MBWPXEMYRTWYHZ-BRJLIKDPSA-N	530.448	4.630	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc2c1CCCCC2	20220652	GVRIWNYMVOEHIL-UHFFFAOYSA-N	516.085	4.847	50	50	KJGA	
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)cc1Cl	239309975	HZIPVPRIVKIIIQ-HSPNGBHYSA-N	594.731	4.976	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1OC	2544364	PCSBUDYHSJHPNN-OKCVXOCRSA-N	576.403	4.928	50	50	KJGA	
O=C(N[C@H](C=NNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	239203424	SJGZFGZWMHUDPF-SANMLTNESA-N	543.476	4.671	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3I)cc2)cc1	4354464	BCFHMJDWIXLHHT-OCSSWDANSA-N	599.425	4.569	50	50	KJGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	2542492	NHHAGYBYFFJAIF-OKCVXOCRSA-N	530.378	4.702	50	50	KJGA	
CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21	97972487	CVMXPPQBNJUHBS-YUEKKVOYSA-N	560.805	4.976	50	50	KJGA	in-vitro
CC(C)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	239174434	QAPPVUHPVCRZLK-MVAXGQRESA-N	624.153	4.912	50	50	KJGA	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc32)cc1OC	1775976134	JYFRAOOUEGTXFH-SANMLTNESA-N	506.580	4.778	50	50	KJGA	
CCc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1	1842212	PYQVIIFPQJQVAI-OGLMXYFKSA-N	501.612	4.756	50	50	KJGA	
CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)cc1	2521193	ZZOZSWXUGYSYEW-JFLMPSFJSA-N	511.372	4.768	50	50	KJGA	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	4258699	APDXOMVHJBQYDQ-XODNFHPESA-N	533.304	4.809	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1	4326624	VJAIDYXRKXAMBP-WJGWSCHNSA-N	511.918	4.784	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C(\C)c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc(OC)c1OC	100317981	FPWQSXOPXUCXQC-OGLMXYFKSA-N	562.608	4.501	50	50	KJGA	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)[C@H](C)Sc2nnc(CNc3ccc(I)cc3)n2-c2ccccc2)c1O	150391691	HTRNYRUBXGEIRQ-BRQOLZEGSA-N	673.493	4.737	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Cl)c(Cl)c3)cc2OC)cc1	2542813	VVDHUAJVHZQYQL-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	2543048	OLRABGZMDYWDOS-XKJRVUDJSA-N	534.783	4.755	50	50	KJGA	
CCn1c(SCC(=O)N/N=C/c2ccc(OC)c(OCc3ccccc3)c2)nnc1-c1ccc(OC)cc1	98050415	QUXKOXIIRVRZFU-STBIYBPSSA-N	531.638	4.804	50	50	KJGA	
O=C(COc1ccc([N+](=O)[O-])cc1Br)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	150347920	SIBFDYBLZIYIOG-OPEKNORGSA-N	622.182	4.776	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1cccc(O)c1	2235674	ABHQNPIXIXILEA-AFUMVMLFSA-N	508.401	4.645	50	50	KJGA	
COC(=O)c1c(N2C(N)=C(C#N)[C@H](c3ccc([N+](=O)[O-])cc3)C3=C2CCCC3=O)sc2c1CCCC2	3666030	PPAIHJVDDFHNAX-NRFANRHFSA-N	504.568	4.626	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@@H](C)Oc1ccc([N+](=O)[O-])cc1	4330043	DBAJWIQBEPZJJS-JOBSNELWSA-N	526.343	4.803	50	50	KJGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1	649255	FLGBRWWZPLUSDE-OAQYLSRUSA-N	519.779	4.945	50	50	KJGA	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1OC	2542782	BRPVQMCRAYCHOB-ZCTHSVRISA-N	524.529	4.906	50	50	KJGA	
COC(=O)c1sc2cc(NC(=S)NNC(=O)C(O)(c3ccccc3)c3ccccc3)ccc2c1Cl	2850888	OHAMWJJPNTZMBB-UHFFFAOYSA-N	526.039	4.595	50	50	KJGA	
CN1CC=C2C(C#N)=C(NC(=S)NC(=O)c3ccccc3)C(C#N)(C#N)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C1	100742225	NBEMNJSDXJMLLW-GGAORHGYSA-N	547.471	4.694	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1Br	100743349	OTIABNCVDUCYLM-WKULSOCRSA-N	612.506	4.974	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cc(C)ccc2C)cc1	2506291	VRWMIDYSXKQYNU-MZJWZYIUSA-N	511.372	4.823	50	50	KJGA	
O=C(CCCCC(=O)N/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N/N=C/c1ccc(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	169683713	QJLLUFBEAHXKBB-CQFWSYKGSA-N	770.624	4.919	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1	2553493	BFWKRJCRCYYSEW-MZJWZYIUSA-N	564.421	4.584	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc(C)c2)cc1	4283160	FFVTUKVCGKOQEN-LQKURTRISA-N	538.398	4.854	50	50	KJGA	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(I)cc(I)c2O)c1	100431385	LWFKLWHWTWYHIF-LSFURLLWSA-N	578.188	4.562	50	50	KJGA	
O=C(N[C@H](C(=O)NN=Cc1ccccc1OCc1ccccc1)c1nnc(O)c2ccccc12)c1ccccc1	252678563	FJWRKVMYUWSFCW-NDEPHWFRSA-N	531.572	4.536	50	50	KJGA	
CCOC(=O)/C(=C/C(=O)OC)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1	1501069129	FSUAQUALBAQBQL-XTFOPOPWSA-N	522.711	4.776	50	50	KJGA	
O=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)C(=O)Nc1nnc(-c2ccccc2)s1	4210661	SPCQTQUEVJZJRC-VULFUBBASA-N	536.411	4.635	50	50	KJGA	
COc1ccc([C@H]2OC[C@H]3OC=C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]3O2)cc1	169744749	GPGWYHWCOKUTGD-GKQHHHCTSA-N	502.683	4.967	50	50	KJGA	
O=C(NCCSSCCNC(=O)[C@@H]1CCOCC12CCCCC2)[C@H]1CCOCC12CCCCC2	1875370009	WLBDJMTUSMJUAK-SZPZYZBQSA-N	512.782	4.574	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)n2-c2ccc(C)cc2)cc1OC	102276915	AGTXGZCVEIXLGT-IPPBACCNSA-N	612.506	4.979	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	118920883	IJKPEDMDYLWPMU-CXTHFPKKSA-N	557.688	4.917	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	2531332	YGBBERRMMXIZHJ-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)sc2c1CCCC2	2542685	PBNMDXQAYYVLCN-WKULSOCRSA-N	598.475	4.874	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)sc2c1CC[C@H](C)C2	2520281	ZGSZFFDSKRLQEA-DSWROXKMSA-N	519.623	4.717	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Br)n2-c2ccccc2)cc(OC)c1OC	100743371	VERRONXNSGBVFL-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
Cc1cc(Br)c(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)c(Br)c1	8427510	QAFGKTSAGSYHQD-UHFFFAOYSA-N	624.909	4.896	50	50	KJGA	
CCOC(=O)/C(=C\C(=O)OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1OC(C)(C)O[C@H]1COCc1ccccc1	169833840	FSUAQUALBAQBQL-NHFPELHRSA-N	522.711	4.776	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc(Br)c1O	2218308	YNWPGGDWHZQSON-ZVBGSRNCSA-N	525.475	4.550	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc4ccccc34)cc2OC)cc1	4283538	ULVHOWQAUKJEGP-ZCTHSVRISA-N	525.561	4.945	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(Br)cc1	229887072	DKEUBAULYQWYLO-JMCDZUJHSA-N	591.138	4.726	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(F)cccc3Cl)n2-c2ccc(OC)cc2)cc1	1837001	JCVXQBUTPJFEHY-CCVNUDIWSA-N	525.993	4.986	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1	4335676	IMCDRXJLRRHKKC-UZWMFBFFSA-N	535.556	4.776	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OCC)c2)sc2c1CC[C@@H](C)C2	4283445	KCXWXNQBHSZXMU-ROZPFKJRSA-N	577.659	4.756	50	50	KJGA	
COc1cc([N+](=O)[O-])ccc1NC(=S)NNC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1	16345874	FCLWKZWKKNRZPW-UHFFFAOYSA-N	503.584	4.855	50	50	KJGA	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cc(I)c(O)c(I)c1	150422232	TWBJNYAARQQSJD-CGOBSMCZSA-N	635.421	4.546	50	50	KJGA	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1	4355732	IMEFPBPLARVJKS-VTNSRFBWSA-N	626.474	4.860	50	50	KJGA	
Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C	25580990	PHNYCNQMVUMFBE-PTGBLXJZSA-N	500.562	4.883	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)nnc2-c2ccccc2)cc1	100853463	XUGFHJJJFOZKHS-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)cc1	4259435	FNGHTTSHCUKFFJ-OCSSWDANSA-N	552.425	4.727	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Cl)cc1	239173957	OZWGRPGCTZWAKE-CRCHGLNGSA-N	546.687	4.617	50	50	KJGA	
CCCCCCC(=O)Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1	239203348	SEUJXQZYAGZBCZ-GFBDQPOWSA-N	527.253	4.845	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Cl)cc1	2553622	CYOQDDPHOQHOQI-RWPZCVJISA-N	536.013	4.925	50	50	KJGA	
CO[C@@H]1[C@H](O[C@@H]2[C@H](OC(C)=O)CO[C@H](Sc3ccccc3)[C@@H]2OC(C)=O)O[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC	257356425	HWYGRRQODGUGMF-YVTXSMLTSA-N	614.830	4.549	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OCC)cc2)cc1	1840697	XBZACBUEERERNW-MTDXEUNCSA-N	501.612	4.974	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(OC)c1	2318483	YAWCTACTNCQPIG-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1OC	4295788	BMGYNUJKKTVWGZ-UPKQYBOFSA-N	543.532	4.902	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OCc1ccc(Cl)cc1	2531164	YBZBPKZXVHGBRX-MZJWZYIUSA-N	521.986	4.535	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3Cl)cc2)cc1OC	2531347	TZJFUESXYDSUTM-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1	2531905	ZFBHFQTYADQMJT-RWPZCVJISA-N	594.447	4.674	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1)C(=O)Nc1cccc2ccccc12	2543752	CDBJDDHZFBTSSF-LQKURTRISA-N	516.351	4.910	50	50	KJGA	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4302735	RDBQZJJRCKYVLO-UXHLAJHPSA-N	539.500	4.562	50	50	KJGA	
COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(F)cc3)C3=C2C(=O)CC(C)(C)C3)cc1CN1CCOCC1	13882223	APWLBKHNDIULAS-MHZLTWQESA-N	516.617	4.607	50	50	KJGA	
COc1cc(Br)cc(/C=N/NC(=O)/C(=C/C=C/c2ccccc2)NC(=O)c2ccccc2)c1O	15018426	AUVOPWPTKHHMHQ-SOLNYPIUSA-N	520.383	4.641	50	50	KJGA	
Cc1ccc(C(=O)COC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5C[C@@H]([C@H](Br)[C@@H]5Br)[C@@H]4C3=O)cc2)cc1C	239259389	ZDHRWJKLPPRNLU-OMIWWWDHSA-N	589.280	4.625	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CC[C@@H](C)C2	2529663	QDPPQQPOKGONTL-IUUQDGFPSA-N	519.623	4.717	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1	2543958	UXKANRQHLMNFGD-UVHMKAGCSA-N	544.789	4.728	50	50	KJGA	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(C)cc4)ccc32)cc1OC	1775976133	JYFRAOOUEGTXFH-AREMUKBSSA-N	506.580	4.778	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(OC)c1OC(C)=O	1772615	DQXQOGWDWFFKQQ-WKULSOCRSA-N	566.039	4.773	50	50	KJGA	
CCOc1ccc(CCNC(=S)NNC(=O)c2ccc(COc3ccc(CC)cc3)o2)cc1OCC	20613819	DDPUVDUXCOOVRE-UHFFFAOYSA-N	511.644	4.570	50	50	KJGA	
N#CC1=C(N)N(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C2=C(C(=O)CCC2)[C@H]1c1ccc([N+](=O)[O-])s1	12428469	MBRXXOUKXIKLMP-GOSISDBHSA-N	505.434	4.888	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1ccccc1	4282422	LICYTILOPUZFGH-BIZUNTBRSA-N	550.571	4.564	50	50	KJGA	
O=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccccc2)s1	4210967	HGEBMPJBVJXFTD-VULFUBBASA-N	536.411	4.635	50	50	KJGA	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	4347275	FVKNNDZTHXTHFS-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	95681790	JIDYQTCBVGBFDH-VKHMYHEASA-N	504.024	4.911	50	50	KJGA	in-vitro
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3O)nnc2-c2ccc(C)cc2)cc1	2388565	KYCKWSPKIXKNPI-MZJWZYIUSA-N	552.454	4.962	50	50	KJGA	
Cc1c(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C	101121689	JWJCRFMPKYMXLS-CJLVFECKSA-N	545.559	4.791	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1	4283064	TYJWADMFISJYOJ-BIZUNTBRSA-N	509.610	4.907	50	50	KJGA	
CN1CC=C2C(C#N)=C(NC(=S)Nc3ccccc3)C(C#N)(C#N)[C@H](c3c(O)ccc4ccccc34)[C@@H]2C1	25585309	DKBLAJBGSAOLJM-SQHAQQRYSA-N	516.630	4.928	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1	2542831	QUWMKDKGISPNMS-JFLMPSFJSA-N	527.371	4.848	50	50	KJGA	
CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccc(NC(=O)CI)cc21	72131444	PBNJVBIBIUPXPG-UHFFFAOYSA-N	569.399	4.760	50	50	KJGA	in-vitro
COc1ccc(/C=N/NC(=O)CSc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)c(C(=O)O)c1OC	150391639	LAFQISUTBRGPGU-XAZZYMPDSA-N	686.532	4.750	50	50	KJGA	
COC(=O)c1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C(C(=O)Nc2ccccc2)=C(C)N1	59735868	XKJVNDJVCIPCED-MUUNZHRXSA-N	584.654	4.894	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)c1ccc(Cl)cc1	4372819	KGRMMIQTPNYSEC-ZMOGYAJESA-N	504.711	4.928	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)n2-c2ccc(OC)cc2)cc1	100832408	IWPWACMBCNNAFP-RDRPBHBLSA-N	547.637	4.601	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1)c1ccc(Br)cc1	150643162	DCBJFYQZKZNDIJ-VTLVALNESA-N	640.122	4.771	50	50	KJGA	
O=C(CCCCCCCCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21)N/N=C1\C(=O)Nc2ccc(Br)cc21	150399623	YUILSDJGXMBSFR-UHFFFAOYSA-N	646.340	4.577	50	50	KJGA	
N#CC1=C(N)Oc2cc(OS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)ccc2[C@@H]1c1c(F)cccc1Cl	1857800529	CDECTXZQGKNWCG-NRFANRHFSA-N	515.906	4.514	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)c(OC)c3OC)nnc2-c2ccccc2)cc1	100853466	HSFGCOOUZIOOMM-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c(OC)c1	1474943	ZEUXHJQAUUWYOG-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
COc1cc(OC)c(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c(OC)c1	2341657	MVYMWQJARYYREG-AUEPDCJTSA-N	525.077	4.752	50	50	KJGA	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)c(O)c3)n2-c2ccccc2)cc1	2372869	MOTXGLCPYVFARE-LQKURTRISA-N	501.612	4.885	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3[N+](=O)[O-])cc2OC)cc1	4283074	UVBRGGPXNRVQKI-OGLMXYFKSA-N	521.526	4.531	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1OC	2544202	GDSNDRPJRDHZEY-OKCVXOCRSA-N	576.403	4.928	50	50	KJGA	
O=C(NNC(=S)NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2	2794074	XEAJGJUIONTLBA-SJLPKXTDSA-N	508.957	4.506	50	50	KJGA	
CCn1c(SCC(=O)N/N=C/c2cc(I)cc(I)c2O)nnc1-c1ccc(Cl)cc1	150409152	PALKIJHEZAUNEW-NUGSKGIGSA-N	667.698	4.776	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)n2-c2ccc(C)cc2)cc1	1834325	QSVJSUQJGJUTNK-OGLMXYFKSA-N	500.628	4.560	50	50	KJGA	
COc1c(Br)c([C@@H]2ON=C(C(=O)N/N=C/c3ccc(Br)cc3)[C@H]2C)c(Br)c2c1OCO2	150402094	CXZJCVQCXRNTSD-QJXCJCLXSA-N	618.076	4.925	50	50	KJGA	
COc1cc(-c2oc(/C=N\NC(=O)C[N+](C)(C)C)c([N+](=O)[O-])c2-c2cc(Br)c(O)c(OC)c2)cc(Br)c1O	150574781	FNPSLLWPCNRMJX-UHFFFAOYSA-O	657.292	4.632	50	50	KJGA	
O=C(/C=C/c1ccccc1)Oc1ccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1	5344806	HWEOZWDEAPFAIF-BYZHSYESSA-N	525.586	4.870	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccccc2)cc(OC)c1OC	1208476	HIPMWRPECZUROK-CCVNUDIWSA-N	598.479	4.671	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1	2531922	SJLNXMFIJLKECZ-ZXSUQFSISA-N	556.369	4.893	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	2543723	CDOKJRCWWZFAFP-MZJWZYIUSA-N	528.790	4.973	50	50	KJGA	
O=C(COc1ccc(Br)cc1)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	4372614	ALOBMTCHNUASNE-DHRITJCHSA-N	532.188	4.960	50	50	KJGA	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1	100611885	GDPQAPBGQWDLPV-RDRPBHBLSA-N	531.638	4.983	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)sc2c1CCCC2	102306999	AHPNOULKXQMLSE-WCMJOSRZSA-N	559.623	4.884	50	50	KJGA	
Cc1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OC(C)(C)C)c(C[C@H](Br)CBr)cc12	100703134	OEVFBMHIVYBXMM-AWEZNQCLSA-N	547.240	4.541	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccc(OC)cc1	4293244	ZXFJQSANQKVHOZ-JFLMPSFJSA-N	527.371	4.605	50	50	KJGA	
COc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc(OC)c1OC	4347116	MWMXRIJFSWSNAG-BIZUNTBRSA-N	554.555	4.915	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2I)cc1	4347244	DGBUSDWHPBEUQR-FJEPWZHXSA-N	664.294	4.942	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1	2340092	AUMNZHQAJOTPIE-CVKSISIWSA-N	522.428	4.948	50	50	KJGA	
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(O)cc3O)n2-c2ccccc2)cc1	2336407	DGGVBDXRMKESSO-LQKURTRISA-N	501.612	4.885	50	50	KJGA	
COc1cc(C(=O)Oc2cc3c4c(c2)[C@@]2(C(=O)N4C(C)(C)C[C@H]3C)C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC	59616733	FSOVJIGEGZGLHV-RCUPCANXSA-N	599.640	4.533	50	50	KJGA	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1	150363761	GLJCICUIWXBOTK-DPNNOFEESA-N	682.111	4.629	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccccc2I)c1	2542606	BJIKIPRVHLUHFC-WCMJOSRZSA-N	591.405	4.852	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1OC	1876041	WHFICIJRNDZQER-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
c1ccc(Nc2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(N3CCOCC3)o2)cc1	97949516	RWJVVMFSEJWEFW-UHFFFAOYSA-N	506.566	4.874	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc(OC)c1OC(C)=O	1267810	SNBUISVNOHOHRY-IPPBACCNSA-N	553.040	4.923	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(OC)c(OC)c(OC)c3)cc2OC)cc1	4230309	FHDTYYSEQAJFIQ-UXHLAJHPSA-N	536.581	4.883	50	50	KJGA	
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)N[C@H]3CCCC(=O)[C@H]32)cc1	245254889	DGUZXGPIRAWCQW-GVSZXVAOSA-N	501.652	4.956	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)c1	2531566	YPYBHSIGEMNRDI-OCSSWDANSA-N	535.585	4.975	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(SCc3ccccc3)s2)cc1Br	1875075	RGAKYKSNHIUBET-UFFVCSGVSA-N	509.476	4.844	50	50	KJGA	
O=C(CSCc1ccccc1Br)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	2962761	XPCPGWDAIPNJRO-UVHMKAGCSA-N	530.419	4.989	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1OC	100851662	YMFWDTMXOSVYCL-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
COc1ccc(CC(=O)Nc2cccc(/C(C)=N/NC(=O)[C@@]3(C)CC3(Br)Br)c2)cc1	8454266	XJIWWZSAFIEIFW-ODDBZWQPSA-N	537.252	4.613	50	50	KJGA	
Cc1cc(Br)c(NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)c(Br)c1	100683439	ZRYQBTALZLNAEV-SNVBAGLBSA-N	546.927	4.858	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1	2531840	XAMXTIZEIZKEJB-IPPBACCNSA-N	558.816	4.601	50	50	KJGA	
O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)c1)c1ccc(Cl)cc1	239174073	PFHQUZJMZCCMFO-KSCVBYKOSA-N	553.634	4.842	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	2543720	LCMBHIKTDNJHCQ-MZJWZYIUSA-N	528.790	4.973	50	50	KJGA	
CCOC(=O)C1=C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)NC(=O)N[C@H]1c1ccccc1	100722428	CXEHPXUUZAVYSC-PMERELPUSA-O	521.577	4.852	50	50	KJGA	
C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(OCC)cc2)c(OCC)c1	4335820	IEDWGHFWAOBSNY-NDZAJKAJSA-N	502.567	4.961	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(OC)c1OC	1293651	VVELOZHZCWJFMZ-MUFRIFMGSA-N	531.638	4.819	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	2531168	KUACQZSSBSDNKN-RDRPBHBLSA-N	509.474	4.797	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)n2-c2ccccc2)cc1	1900171	VGDCLPYIMVHQAS-VULFUBBASA-N	522.974	4.747	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccc(C)cc2)cc(OC)c1OC	1249396	ILNAMPHXQDZPEE-RWPZCVJISA-N	504.612	4.661	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)sc2c1CCCC2	2597704	BFZCFHJTPRIGPD-WKULSOCRSA-N	554.024	4.765	50	50	KJGA	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1	4282618	QRVOLKSXXUONPF-OCSSWDANSA-N	507.974	4.618	50	50	KJGA	
C=CCc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(OC)c(OC)c1	4292907	LNIJSZHXAALVHK-MUFRIFMGSA-N	553.409	4.943	50	50	KJGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1	1740460	DBSLSPOJDSKFRA-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2)sc2c1CCCC2	2543133	UTHKUNKBJFTPQZ-CCVNUDIWSA-N	551.422	4.569	50	50	KJGA	
CCN(CC)C(=O)c1sc(NC(=S)NNC(=O)C2c3ccccc3Oc3ccccc32)c(C(=O)OC)c1C	2852781	PFSTZUVYKGDVOV-UHFFFAOYSA-N	552.678	4.581	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)cc2OCC)cc1	4355715	WWGOIYFKIOHWMP-HNSNBQBZSA-N	539.588	4.737	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	2520073	PTBNAEZCAOCMCN-FDAWAROLSA-N	540.963	4.900	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1	4230222	LBYSJROZHFZUOP-FDAWAROLSA-N	544.633	4.985	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1	100666125	VMGPQCULSWEIIQ-BUVRLJJBSA-N	529.420	4.824	50	50	KJGA	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(C)cc1	220959519	AAZIMJIAEDIOBE-WOJBJXKFSA-N	537.947	4.777	50	50	KJGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1	2543008	LLRNKWXOTKRYAG-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
CCOc1ccc(Br)cc1/C=N/NC(=O)CCCC(=O)N/N=C/c1cc(Br)ccc1OCC	4527794	ULFUDTYLDSFOAL-CIOBDNPFSA-N	582.293	4.780	50	50	KJGA	
CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc2)cc1	4347183	BOSWXPBBNAALKH-RDRPBHBLSA-N	506.555	4.631	50	50	KJGA	
COc1cc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)ccc1OC(=O)c1ccccc1	4527632	ICFVVQPHGCSAJT-BVDGQYGUSA-N	636.661	4.913	50	50	KJGA	
CCCOc1ccc(Br)cc1/C=N/NC(=O)CC(=O)N/N=C/c1cc(Br)ccc1OCCC	4527758	OXCWLCUJVXQJCY-CIOBDNPFSA-N	582.293	4.780	50	50	KJGA	
O=P(COCCOCCOCCOCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	17413955	MGNUEYOLWSREKF-UHFFFAOYSA-N	578.582	4.996	50	50	KJGA	biogenic
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CC[C@H](C)C2	2520201	BMAMQPNOJWOABY-GSCKTCQSSA-N	585.686	5.000	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2543037	ITSZVTMANBCFDZ-XKJRVUDJSA-N	534.783	4.755	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc(OC)c1O	1475041	JXQZWDCKHACQNY-MZJWZYIUSA-N	524.002	4.553	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Br)cc1	2532165	NAUXPAWICMRCBQ-FDAWAROLSA-N	586.398	4.976	50	50	KJGA	
COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc(OC)c1OC	150352678	ZCJMZVJGGDSGIT-KVSWJAHQSA-N	667.263	4.894	50	50	KJGA	
Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1C	239425901	VLCXCQXIRBJFIV-ZOQGBNKYSA-N	561.270	4.847	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1OC	2531408	QJKZSRILPFQQQQ-KPGMTVGESA-N	590.430	4.719	50	50	KJGA	
COC(=O)c1sc2cc(NC(=S)NNC(=O)CCC(=O)Nc3ccccc3Cl)ccc2c1Cl	2852758	NOLZPXICDLQFPR-UHFFFAOYSA-N	525.439	4.731	50	50	KJGA	
NS(=O)(=O)c1ccccc1C(=O)N/N=C(\c1ccccc1-c1ccccc1)[C@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@@H]1OC(=O)c2ccccc21	150661942	GZHQFZRPWIXPLD-ROKUNCRJSA-N	717.716	4.779	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)cc3)n2-c2ccccc2)cc1OC	2331297	YQVDHETTZFJYTF-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1	2520015	DTQOIZKVIMNFDI-UZWMFBFFSA-N	565.655	4.547	50	50	KJGA	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1cc(CN2CCOCC2)cs1	12375401	JGPGKWAERFNHBN-HSZRJFAPSA-N	514.573	4.904	50	50	KJGA	
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)c1	2520417	WAHOBBFNKDCKIY-STBIYBPSSA-N	526.574	4.617	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4330147	WIDCATBRHQMWLX-FDAWAROLSA-N	591.462	4.820	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc(OC)c1O	5318756	FIIKAWYBIDOEAL-UVHMKAGCSA-N	511.003	4.703	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1OC	2531477	NYYDFJMYLRJSAH-FYDYWCEBSA-N	572.368	4.511	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2542926	KLOWAJXNOOWROH-XKJRVUDJSA-N	579.234	4.864	50	50	KJGA	
O=C(CCn1c2ccc(I)cc2c2cc(I)ccc21)N/N=C/c1ccccn1	4528068	AWFWAIFZVBFOBB-DHRITJCHSA-N	594.194	4.939	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@]12ON=C(C(=O)OCC)[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	823223233	IJKPEDMDYLWPMU-XBNGYXPFSA-N	557.688	4.917	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2544214	USAFIARWSVZIMZ-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)sc2c1CCCC2	4261356	FFVCVKDWSKDLJE-WKULSOCRSA-N	598.475	4.874	50	50	KJGA	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1cc(Br)ccc1O	1954411	OXMAJLOBDKKBTF-QQTULTPQSA-N	529.188	4.598	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	2531494	SKFXNCDTFGTMFP-RWPZCVJISA-N	557.397	4.857	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	2542526	ZDQSOHUHSJKYGM-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2cccc(C)c2)cc1	2544467	QLQRWPUYAJWMSG-KCSSXMTESA-N	509.562	4.646	50	50	KJGA	
CSCC[C@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br	239046666	FWQJCEAJPHLFQR-WNWIMUCDSA-N	649.401	4.979	50	50	KJGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	2530653	KFAMFBAMTZISJN-BRJLIKDPSA-N	532.734	4.759	50	50	KJGA	
CC1=C(C#N)C(c2cc(I)cc(C3C(C#N)=C(C)NC(C)=C3C#N)c2F)C(C#N)=C(C)N1	623342	JBCMJPDYEUCWRV-UHFFFAOYSA-N	536.352	4.994	50	50	KJGA	
Cc1ccccc1-n1c(SCC(=O)N/N=C/c2cc(I)cc(I)c2O)nc2ccccc2c1=O	150408778	KDUWPQTTZMIJOD-KKMKTNMSSA-N	696.308	4.851	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@@H]1Br)Nc1ccc(I)cc1	229977475	UDMGQHNEFYXKCV-JMCDZUJHSA-N	638.138	4.568	50	50	KJGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	2542873	ZRMDXUADSHLIOB-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)NNC(=O)c1ccccc1Br	100856993	OICCJRCPNAMEPT-GHRIWEEISA-N	538.514	4.733	50	50	KJGA	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3cc4c(cc3Br)OCO4)cc2)S(C)(=O)=O)cc1C	1191732	CMWYMSNCDLABHP-UVHMKAGCSA-N	558.454	4.525	50	50	KJGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1	1244673	ZJHBBHVKBNOARV-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(C)cc2)cc1	2542964	GINPBWOXYWGGSM-KCSSXMTESA-N	509.562	4.646	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1	2543325	GYENUKATPKNSCU-CCVNUDIWSA-N	514.365	4.872	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)ccc1OC(=O)c1cccc(Br)c1	2553668	PWNJPQXBFOJFGT-LGJNPRDNSA-N	575.213	4.528	50	50	KJGA	
COc1ccc(C(=O)NNC(=S)Nc2ccc(C)cc2)cc1COc1ccc(Br)cc1	2795442	URAJDFAJDFYFEG-UHFFFAOYSA-N	500.418	4.977	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)sc2c1CCCC2	102307023	OSWJPTLCDMUVTB-KBVAKVRCSA-N	571.659	4.754	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1	2542597	FIHIPGWPBPFPKW-WCMJOSRZSA-N	515.953	4.601	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1	4261210	OQAKHRPONDHIBD-KCSSXMTESA-N	577.037	4.719	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])c1	2531583	JBIUJUMLWNKHOL-HEOQCTJZSA-N	526.343	4.803	50	50	KJGA	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1OC	100302371	QYLPENAUAVXSBB-RDRPBHBLSA-N	547.637	4.601	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccc(OC)cc3)ccc3ccccc23)cc1	4296167	GVSSOACWKVATPP-HNSNBQBZSA-N	539.588	4.737	50	50	KJGA	
CC(=NNC(=O)CSc1nnc([C@H](C)Nc2ccc(Br)cc2)n1C)c1ccc(F)cc1	245245129	ABMHKGYIAUSPDG-AWEZNQCLSA-N	505.417	4.522	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccccc2C)cc1	4283459	RWJJUEPAHBBKFB-OKCVXOCRSA-N	552.425	4.646	50	50	KJGA	
CCCCOc1ccc(C=NNC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)cc1OC	252426680	KLDOKCOADGSABU-UHFFFAOYSA-N	504.612	4.771	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3cccc(OCC)c3O)nnc2-c2ccccc2)cc1	1474452	FVXCUJNIRZWIAI-OGLMXYFKSA-N	517.611	4.680	50	50	KJGA	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	2543894	BMUJRWCHDKXFFC-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc(OC)c1OC	2199357	PPBSLSXMCDIXCH-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	2543799	QFGQXRPYEMNZLM-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1	4347168	MAGUJEHTLJDUNO-XICOUIIWSA-N	579.609	4.794	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)[C@H](C)Oc1ccc([N+](=O)[O-])cc1	2532262	DBAJWIQBEPZJJS-HEOQCTJZSA-N	526.343	4.803	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(C)cc2)cc1	2543349	MJPOBMZTECVCAB-LQKURTRISA-N	538.398	4.854	50	50	KJGA	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(Br)cc(Br)c1O	2821113	JSUNMPPXNRCYAT-PTXOJBNSSA-N	571.845	4.912	50	50	KJGA	
CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)c1	239203351	SEUJXQZYAGZBCZ-YEYGNOCGSA-N	527.253	4.845	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	4229978	QGMWTOLUMTYAHD-IPPBACCNSA-N	565.449	4.878	50	50	KJGA	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	4282368	SJNBEZXKQWCVGB-OKCVXOCRSA-N	530.378	4.702	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc2c1CC[C@H](C)C2	20568540	AOVYXLYUYMKTLJ-NSHDSACASA-N	516.085	4.703	50	50	KJGA	
Cc1cccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)c1	2544028	DMZBMLBRGVHTEI-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2cc(I)cc(I)c2O)c1	150359542	JMWPJNCMKFQNES-HIUDDBDBSA-N	697.267	4.540	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)C(=O)Nc1cccc2ccccc12	4302909	CRNFJIKHQTVLSZ-LQKURTRISA-N	563.351	4.752	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccccc2OC)cc1	4347210	BLVODCOAACUWAJ-LQKURTRISA-N	541.398	4.995	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(OCC)cc2)nnc1-c1ccc(Br)cc1	2385198	SEZWJQZCSWXNCC-DHRITJCHSA-N	514.449	4.925	50	50	KJGA	
CC(=O)NNC(=S)N/C=C(\c1ccc(Cl)cc1Cl)S(=O)(=O)Cc1ccc(Cl)cc1Cl	102299789	ZJVJAEIGTSWZQI-CAOOACKPSA-N	527.282	4.729	50	50	KJGA	
COc1ccc([C@@H]2OC[C@H]3OC=C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]3O2)cc1	169744748	GPGWYHWCOKUTGD-OVHUPFAXSA-N	502.683	4.967	50	50	KJGA	
CN(C)c1ccc([Si](O[Si](c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1	169816463	MYPJZIQPAAEQBE-UHFFFAOYSA-N	793.221	4.733	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccccc1O	2704979	BFBRWECMXMETPR-AFUMVMLFSA-N	508.401	4.645	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1	2531656	PGSNQWNLWOWVNM-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	2342016	KGMXQYVMSHBHJE-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3cccc4cccnc34)n2-c2ccccc2)cc(OC)c1OC	1208169	KPMCVSBPIZZEJT-KBVAKVRCSA-N	554.632	4.751	50	50	KJGA	
Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C1\C(=O)Nc2c(Br)cc(Br)cc21	1953919	KDCVLQIEDRKRDI-UHFFFAOYSA-N	523.225	4.669	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1ccc(Cl)cc1Cl	2520739	MYIJKAYHTVJCGO-VVEOGCPPSA-N	579.404	4.558	50	50	KJGA	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl	2569210	LSCVPHNBRREVNM-BRJLIKDPSA-N	532.734	4.759	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2OC)cc1	4283506	SFZQQYPPZGBACC-SSGLAOATSA-N	541.398	4.993	50	50	KJGA	
CN1CC=C2C(C#N)=C(NC(=S)Nc3ccccc3)C(C#N)(C#N)[C@H](c3c(O)ccc4ccccc34)[C@H]2C1	25585315	DKBLAJBGSAOLJM-IGKIAQTJSA-N	516.630	4.928	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Cl)n2-c2ccccc2)cc1OC	1857596	VNQCUVPJCWRCPE-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(F)cc2)cc1	2531791	GRAGYAXIRNNYKZ-MZJWZYIUSA-N	515.335	4.735	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OC(=O)c1ccc(Cl)cc1Cl	4287534	QHAWGNXTULZQLV-XKJRVUDJSA-N	626.234	4.706	50	50	KJGA	
Cc1nnc(SCC(=O)N/N=C/c2cn(Cc3c(F)cccc3Cl)nc2-c2ccccc2)s1	20427280	VYWCEHRXGNMVOI-KIBLKLHPSA-N	501.012	4.793	50	50	KJGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2Br)c1	649253	FLGBRWWZPLUSDE-NRFANRHFSA-N	519.779	4.945	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)Nc1ccc(Br)cc1	2518735	VXUCVUMUQFNGJU-DHRITJCHSA-N	545.187	4.520	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	2521197	XNPDLXDRWNJQNO-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccc(OC)cc1	2543756	TTWMORJPEFUZDG-UXHLAJHPSA-N	511.534	4.555	50	50	KJGA	
Cc1ccc(/C=N/NC(=O)COc2c(Br)cc(Br)cc2Br)cc1	2896241	OATFQOGKGKQCDS-DNTJNYDQSA-N	505.004	4.812	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1OC	4295785	BMGYNUJKKTVWGZ-UGGDBLJYSA-N	543.532	4.902	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)N/N=C/c1ccccc1[N+](=O)[O-]	2352850	TXDNGPQLFYYUMY-AFUMVMLFSA-N	537.399	4.847	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)sc2c1CC[C@H](C)C2	2520420	VPPCHYNVMQAXQO-DSWROXKMSA-N	519.623	4.717	50	50	KJGA	
CCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	239165298	NVZMKRHPLCXEGL-NCOADZHNSA-N	501.215	4.599	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	2521112	YHRVAUURDADSLW-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3cccc4ccccc34)cc2)cc1	4327558	LBURFGUDOACINV-BIZUNTBRSA-N	509.562	4.728	50	50	KJGA	
CCCCOc1ccc(-c2n[nH]c3c2[C@H](c2cc4c(cc2Br)OCO4)C(C#N)=C(N)O3)cc1	8854981	ACAYIOJPTGPPMG-HXUWFJFHSA-N	509.360	4.965	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	102268057	YZUULMDJWANAFJ-KCSSXMTESA-N	570.989	4.909	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(C)cc2)cc1OC	2531442	IEQHLXRSMLQUOT-MZJWZYIUSA-N	527.371	4.523	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O	253499188	KSWAFYAIOOUUMS-POBJFSTFSA-N	580.726	4.774	50	50	KJGA	
CC(C)C[C@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	239174431	QAPPVUHPVCRZLK-DPFCVZRASA-N	624.153	4.912	50	50	KJGA	
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1	4303244	KAFJSILJOFCOHV-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
Cc1cc(Br)c2c(c1)/C(=N/NC(=O)COc1c(Cl)cc(Cl)cc1Cl)C(=O)N2C	12446956	ICKKOUGYQMPKRV-IWIPYMOSSA-N	505.583	4.593	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1	2520357	XBGZAKCIPKCBSS-ZCTHSVRISA-N	520.545	4.555	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1	2544049	SBZGXDQTNPTUHV-IXORVSQSSA-N	542.342	4.503	50	50	KJGA	
CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)=C(C#N)[C@@H]2c1ccco1	2697938	IQQGHMBOLGZNNJ-AREMUKBSSA-N	580.732	4.891	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3)ccc3ccccc23)sc2c1CCCC2	4229976	CQBJZAQYJJVHJQ-KBVAKVRCSA-N	522.586	4.960	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)ccc1OC(=O)c1ccc(Cl)cc1	2506513	XVHHANSQZQBVKV-RWPZCVJISA-N	536.013	4.699	50	50	KJGA	
CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	101149454	VGSREJALHGALEV-YJERLKHQSA-N	536.783	4.644	50	50	KJGA	
CC1(C)[C@H]2CC[C@]1(C)C(=NNC(=O)/C=C/C(=O)N/N=C1/[C@@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)[C@H]2Br	261490465	NUHNIPNJEMPNDO-OBBZKYNRSA-N	570.370	4.926	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	2521196	VUWAHVOTYOHNCO-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Br)c2)cc1	4347362	MCQUVNNBTCITGY-XODNFHPESA-N	573.241	4.619	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2Cl)cc1	2542828	XBXJEBZAPDYQBJ-MZJWZYIUSA-N	544.789	4.809	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc1	4355341	XHNMKICCWLTFGC-OKCVXOCRSA-N	552.425	4.646	50	50	KJGA	
Cc1ccc(COc2c(Br)cc(/C=C(\C#N)c3nn(CCO)c(N)c3C#N)cc2Br)cc1	8443382	DYXWYNMHWLMEDK-CAOOACKPSA-N	557.246	4.806	50	50	KJGA	
CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc2c1CCCC2	20168483	LBXONNIUGZBTFR-UHFFFAOYSA-N	516.085	4.847	50	50	KJGA	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1c[nH]c2ccc(Br)cc12	100057152	BRHKOKKZVXKUKV-CCVNUDIWSA-N	532.427	4.816	50	50	KJGA	
CCOc1ccccc1/C=N/NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(OC)cc1	1242871	JRMKIHXHGYAAEL-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3Br)n2-c2ccccc2)cc1OC	1869311	RPPYUNCKKKAUHI-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cc1	4259323	XKLMTRLBKLOXOS-UZWMFBFFSA-N	550.571	4.646	50	50	KJGA	
COc1ccccc1OCC(=O)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1	4259682	VASVKXQHSWSSAO-KNZXSQEYSA-N	509.356	4.606	50	50	KJGA	
Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NN=C2CCN(C)CC2)cc1)S(=O)(=O)c1ccccc1	55459184	PCRNZPVOIGJTFO-UHFFFAOYSA-N	525.074	4.855	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1	2529615	GNPXCPYGPXPASG-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1	4258679	KAIYRIBPZZUTON-QNKGDIEWSA-N	570.646	4.846	50	50	KJGA	
COc1ccc(N(CC(=O)N/N=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1OC	150364162	OKMBYXUNPFFNHF-ALQBTCKLSA-N	634.686	4.514	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)ccc1OC(=O)c1ccccc1Cl	2518458	KCOAUPDJKJWEGE-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)/C=C/c1ccccc1	2521179	QCVYIJPFTVBSFS-PHGNHDHESA-N	509.356	4.606	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC(=O)c1cccc(Br)c1	2521185	NPLOWTAUZMIWTR-MZJWZYIUSA-N	511.372	4.823	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(OC)c1OC	1769969	RYZQYGNUOKLPPK-RWPZCVJISA-N	538.029	4.856	50	50	KJGA	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2I)cc1)c1cccc(Cl)c1	4209905	DBDCHHWDXSGRDY-ZMOGYAJESA-N	504.711	4.928	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccc(Br)cc1	239038545	DKEUBAULYQWYLO-CRCHGLNGSA-N	591.138	4.726	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1OC	2698260	MUYQTWTXMSLNNA-STBIYBPSSA-N	531.638	4.901	50	50	KJGA	
Cc1ccc(OCc2nnc(SCC(=O)N/N=C/c3coc4ccccc4c3=O)n2-c2ccccc2)cc1C	2869938	CFDFYYFGQMOPEC-FJEPWZHXSA-N	539.617	4.812	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OC(=O)c1ccccc1Cl	2518490	JNWUWHGDELHXHU-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	2531116	HTYATOIAASSYAF-OCSSWDANSA-N	514.534	4.857	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc(F)cc2)cc1OC	2531526	YSACSAMROFCVAR-LGJNPRDNSA-N	501.308	4.589	50	50	KJGA	
O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	1429249	ZEAIBQUEBBBNML-UHFFFAOYSA-N	501.766	4.575	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)c(O)c(OC)c3)n2-c2ccc(C)cc2)cc1	1897187	DYPQTUKRUHDSAB-CCVNUDIWSA-N	582.480	4.970	50	50	KJGA	
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)c1	2520285	MDIRPOGBWBWWSV-ZCTHSVRISA-N	506.562	4.915	50	50	KJGA	
C/C(=N\NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccncc1	9273116	VXZXOSSFMVTXRM-WGOQTCKBSA-N	507.417	4.724	50	50	KJGA	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	102316182	OAXSTWOOIDADFJ-CVKSISIWSA-N	546.830	4.679	50	50	KJGA	
COc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2cccc(C)c2)cc(OC)c1OC	2531594	WNWTZTVXPQXANQ-MZJWZYIUSA-N	527.371	4.766	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1	2542614	MREYWOHZADBWDC-IPPBACCNSA-N	521.982	4.663	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC(C)=O)c(OC)c3)nnc2-c2ccccc2)cc1	100853414	UVCYBVNJTLPREP-STBIYBPSSA-N	545.621	4.509	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC	4292804	HUKUMXLCDMJNMY-MUFRIFMGSA-N	529.505	4.514	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)[C@H](C)Oc2ccc(F)cc2F)sc(C)c1-c1ccccc1	20294059	YBGDXWNLFHDGRZ-LBPRGKRZSA-N	505.568	4.573	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OC	4354964	BBEXBWBQPZEWEL-DPNNOFEESA-N	651.514	4.837	50	50	KJGA	
CCCCOc1ccc(-c2n[nH]c3c2[C@@H](c2cc4c(cc2Br)OCO4)C(C#N)=C(N)O3)cc1	8854980	ACAYIOJPTGPPMG-FQEVSTJZSA-N	509.360	4.965	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1	2542719	IUIJQFYHZFPTLQ-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	4283256	CPZQTNQHUIECBL-FJEPWZHXSA-N	528.392	4.882	50	50	KJGA	
Cn1c(SCC(=O)NN=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Cl)cc1	252678009	CHWJLVVPXPRYRJ-UHFFFAOYSA-N	537.001	4.865	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2Cl)ccc1OC(=O)c1ccc(Cl)cc1Cl	2531248	JKRKDVIQFAMTKA-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
COc1cc([C@H]2C(C#N)=C(N)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	25782756	REPLSRFOFPLGDD-QHCPKHFHSA-N	504.543	4.561	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4283471	GINIWFOKHSLXDF-DPNNOFEESA-N	555.974	4.659	50	50	KJGA	
COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)CNS(=O)(=O)c4ccc(C)cc4)cc3)sc2c1	102306834	WKRYOXNDTRRNOY-CCVNUDIWSA-N	572.064	4.520	50	50	KJGA	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c(OC)c1	2530159	UXZSDJFCABIDMU-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)CCC(=O)Nc2ccccc2Cl)sc2c1CCCCCC2	2855756	VMXQVUVUWDCMDW-UHFFFAOYSA-N	523.080	4.584	50	50	KJGA	
COc1cc(C(=O)NCC(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)cc(OC)c1OC	4302940	LRYPLDQJHBHPBB-MHDJOFBISA-N	576.005	4.618	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1	4335842	RPSTZIALDJRXRS-OKCVXOCRSA-N	552.425	4.646	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)ccc1OC(C)=O	2350122	LYTMFZUMLQSSDK-RWPZCVJISA-N	536.013	4.764	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	253499182	KSWAFYAIOOUUMS-OQBJDUHKSA-N	580.726	4.774	50	50	KJGA	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)c1O	2348260	MMSFMLPJEQYIDG-VULFUBBASA-N	538.427	4.653	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OC)cc1	4292980	DRGPFMWIGHGDIA-ADXYVXIDSA-N	521.526	4.529	50	50	KJGA	
C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	239433742	YJZJOGRQJZRRQX-FBLOFJKMSA-N	562.258	4.584	50	50	KJGA	
N#CC1=C(N)Oc2cc(OS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)ccc2[C@H]1c1c(F)cccc1Cl	1857800530	CDECTXZQGKNWCG-OAQYLSRUSA-N	515.906	4.514	50	50	KJGA	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1	2520154	PWOCPMVEKRJTSA-RVPIIJQGSA-N	524.327	4.505	50	50	KJGA	
O=C(CCCC[C@@H]1CCSS1)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F	585091592	GMQGFJRAMYKVOM-UUWRZZSWSA-N	954.105	4.568	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)ccc1OC(=O)c1cccc(Br)c1	2570286	CFZMKHKYDGFLCR-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1	102294670	GYOPCCWAPQYFDE-FMFFXOCNSA-N	564.646	4.699	50	50	KJGA	
C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)c(OC)c1	2521183	INCOOWFKYGBKEY-LQKURTRISA-N	523.383	4.935	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)sc2c1CCCC2	102306952	CECLWWHYEXCGAH-OCSSWDANSA-N	541.633	4.745	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1	2520163	IMUDHEMIHJREDR-MUFRIFMGSA-N	515.957	4.628	50	50	KJGA	
CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cc2)cc1	4258938	QRQVBJYDNRUVPB-OGLMXYFKSA-N	537.414	4.969	50	50	KJGA	
COc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(Cl)cc3)ccc3ccccc23)cc1	2544275	MBTSRGRZBZMXIP-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2)cc1	2597752	VYNZJUOFGPNZBS-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
O=C(CC(=O)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	150434030	URTAWNPCPMDMCY-RVSCTIAXSA-N	672.523	4.895	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1OC(=O)c1ccc(Cl)c(Cl)c1	2531291	QJIDUIJRDVOEGH-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
COc1cc(/C=N/NC(=O)CC(=O)N/N=C/c2ccc(OCc3ccccc3)c(OC)c2)ccc1OCc1ccccc1	4527649	XWDGDUGOOMCWFQ-VQGAUUQYSA-N	580.641	4.852	50	50	KJGA	
O=C(N[C@H](C(=O)NN=Cc1c2ccccc2cc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1	252642030	ZIQBQGBREZMXSA-LJAQVGFWSA-N	525.568	4.851	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1	2529707	SRVYLDZHPRSTSW-FDAWAROLSA-N	541.947	4.867	50	50	KJGA	
CCOP(=O)(N[C@@H](N[C@H](NC(=O)c1ccccc1)C(Cl)Cl)C(Cl)(Cl)Cl)OCC	101022483	RKECLUBGLGHVFL-GXTWGEPZSA-N	515.589	4.603	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(OC)c3OC)n2-c2ccc(C)cc2)cc1	1247051	HTIFJYWZGXRIJW-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1	1474885	LBBAIPXJRHTVTJ-LQKURTRISA-N	517.611	4.511	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)cc1	4283342	UPWJPJDWAJUXGG-DCMOEJRUSA-N	511.372	4.985	50	50	KJGA	
O=C(COc1ccc(Br)c2ccccc12)N/N=C1/C(=O)Nc2c(Br)cc(Br)cc21	100325694	HKNCKRQQAXNVRH-UHFFFAOYSA-N	582.046	4.979	50	50	KJGA	
COC(=O)c1sc2cc(NC(=S)NNC(=O)[C@H](C)Oc3ccc4c(c3)CCC4)ccc2c1Cl	1121833	GNHNAQJIYZZPCI-LBPRGKRZSA-N	504.033	4.615	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2ccc(OC)cc2)cc1	4354426	DMMIOOABMZLNFG-LQKURTRISA-N	541.398	4.995	50	50	KJGA	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2I)c1)c1ccc(Cl)cc1	4360112	RVAHNJGKJAIJNX-ZMOGYAJESA-N	504.711	4.928	50	50	KJGA	
Cc1c(Br)c(O)c(Br)c(O)c1/C=N/NC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1	150392245	QRRNAMNQUYLGKG-MOOOJOPMSA-N	661.307	4.827	50	50	KJGA	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)=C(C#N)[C@H]1c1ccc(C)cc1	220959409	AAZIMJIAEDIOBE-UXHICEINSA-N	537.947	4.777	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc(Cl)c3)cc2OCC)cc1	102275504	YQYSLMPMPHCMDL-KBVAKVRCSA-N	538.000	4.627	50	50	KJGA	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	239135301	LAEFPLQFPLJSNT-MUJBESKKSA-N	611.674	4.584	50	50	KJGA	
CCCCOc1ccc(C=NNC(=O)Cn2cnc3scc(-c4ccc(C)cc4)c3c2=O)cc1OC	252441301	OEHYQIVXZZGHBN-UHFFFAOYSA-N	504.612	4.771	50	50	KJGA	
CCCCCC(=O)Oc1ccc(N2C(=O)[C@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	226722903	NVZMKRHPLCXEGL-YVSFHVDLSA-N	501.215	4.599	50	50	KJGA	
CCCCCCC(=O)Oc1ccc(N2C(=O)[C@@H]3C[C@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1	239309047	HEEQJSKQFLSBQJ-BDXSIMOUSA-N	515.242	4.989	50	50	KJGA	
CCOC(=O)c1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	2962356	QPGJBBVNFKNZDR-UVHMKAGCSA-N	501.370	4.666	50	50	KJGA	
Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1	4229897	BHVIYKLCKJICBP-MZJWZYIUSA-N	542.038	4.511	50	50	KJGA	
COC(=O)[C@@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2Cl)=C(C#N)[C@H]1c1ccc(C)cc1	220953804	KLOOCQCQNOOLIZ-UXHICEINSA-N	548.846	4.521	50	50	KJGA	
O=P(c1ccccc1)(c1ccccc1)c1nc(P(=O)(c2ccccc2)c2ccccc2)nc(P(=O)(c2ccccc2)c2ccccc2)n1	195754044	VAYNTFVDUSJTBW-UHFFFAOYSA-N	681.609	4.790	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1	4295892	HPNUSNQVYKOUGT-NXYZXBHKSA-N	542.342	4.503	50	50	KJGA	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4Cl)ccc32)cc1	1857798726	IAGLBGKYKROFHU-JOCHJYFZSA-N	531.373	4.766	50	50	KJGA	
CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	25504541	LVBRSHMVNZYFPU-ZVSFRMAHSA-N	505.372	4.845	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)sc2c1CC[C@H](C)C2	4326881	QDPPQQPOKGONTL-DSWROXKMSA-N	519.623	4.717	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	2544272	XDPWRTXKMQLXGY-MZJWZYIUSA-N	544.789	4.809	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	4296200	TZPBGSJVVODYER-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1COc1c(F)c(F)c(F)c(F)c1F	15934126	XPKODWLCKZWZIO-WXMAUWIXSA-N	510.415	4.751	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1	2543294	DFZZQUICXJDMKN-MUFRIFMGSA-N	546.377	4.919	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	4347069	YBUADJRBYYJOQL-KBVAKVRCSA-N	524.017	4.987	50	50	KJGA	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)c1	1898025	DHTRJAIUABGFFH-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1cccc(Br)c1	4292346	ROOQYANIZMESEL-IXORVSQSSA-N	542.342	4.503	50	50	KJGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1	2520404	UYYQPFGREULUGS-FMFFXOCNSA-N	558.598	4.889	50	50	KJGA	
C/C(=N\NC(=O)c1nn(C)cc1I)c1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)c1	8455972	XRLIOLIYGNOZLZ-PJAVDKHJSA-N	579.826	4.547	50	50	KJGA	
N#CC1=C(N)Oc2cc(OS(=O)(=O)c3ccc(Br)cc3)ccc2[C@@H]1c1ccc(F)c(F)c1	1857799700	UTGWKVLKQRPOGC-NRFANRHFSA-N	519.323	4.713	50	50	KJGA	
COc1ccc(NS(=O)(=O)c2cc(C(=O)NNc3nc4ccc(Br)cc4s3)ccc2C)cc1	1875351157	MSCPPESFSPDFLU-UHFFFAOYSA-N	547.456	4.934	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OC(=O)/C=C/c1ccccc1	2542448	RLYGNMGDCGQTEK-DLVCOAMMSA-N	526.330	4.683	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4229994	JTRFZFAVXIIPLU-FDAWAROLSA-N	591.462	4.820	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc2c(c1)OCO2	2544019	UVQILCCAQYTQBH-OPEKNORGSA-N	501.720	4.814	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C/c2ccc(OC)c(OC)c2)nnc1-c1ccc(Br)cc1	2385210	LFZPSRUWRYPSJL-BRJLIKDPSA-N	530.448	4.543	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1	4293243	CXWIOJJYASWDOW-BIZUNTBRSA-N	591.605	4.732	50	50	KJGA	
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@H]2Br)cc1Cl	239309976	HZIPVPRIVKIIIQ-LKNXBEMVSA-N	594.731	4.976	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccc(Cl)cc1	2544286	XLDXLCSYHQLNNC-RWPZCVJISA-N	549.996	4.565	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1	4335758	JKZHCUBFICAYRD-FJEPWZHXSA-N	572.843	4.991	50	50	KJGA	
CCCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1	4347462	KAFAQCRSVKNCAU-OKCVXOCRSA-N	552.425	4.646	50	50	KJGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1	2542697	GGEAACOOMVHHLO-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)sc2c1CCCC2	4287462	BSPDOKRQIHRFAF-WKULSOCRSA-N	598.475	4.874	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)ccc1OC(C)=O	1872120	HATQTSABOLWLMN-RWPZCVJISA-N	580.464	4.873	50	50	KJGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1	2553720	IBVVZCBXJMACAZ-CCVNUDIWSA-N	508.365	4.944	50	50	KJGA	
O=S(=O)(Sc1ccc(F)cc1I)c1ccc(F)cc1I	334162993	TWOZKEFUVRBDLQ-UHFFFAOYSA-N	538.116	4.655	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)cc3OC)nnc2-c2ccc(C)cc2)cc1	1305224	XNKDDTHZJWSEQO-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cccc(C)c2)cc1	2531513	PXVWDTCYLYPWFB-JFLMPSFJSA-N	511.372	4.905	50	50	KJGA	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1	102316161	SOCJRUGWKIZFIH-CVKSISIWSA-N	546.830	4.679	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1)c1ccc(Br)cc1	150401592	DCBJFYQZKZNDIJ-AOWGFEFVSA-N	640.122	4.771	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1	2521906	HIAKBTGVNKIQEP-ZMOGYAJESA-N	522.808	4.676	50	50	KJGA	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(OCC)cc1	4260888	DYRCRBFHQIZHAJ-STBIYBPSSA-N	565.424	4.754	50	50	KJGA	
CC(C)C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	150447634	QAPPVUHPVCRZLK-XDVKEXPDSA-N	624.153	4.912	50	50	KJGA	
C=C[C@@H](C)[C@H](OCOCCOC)[C@@H]1O[C@@H]1[C@@H](O)CC[C@H](C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C	216532114	RTZZKJSNABXFEF-LUXCBIKGSA-N	514.852	4.994	50	50	KJGA	
N#CC(C#N)=C1c2cc(S(=O)(=O)N3CCCCCC3)ccc2-c2ccc(S(=O)(=O)N3CCCCCC3)cc21	623809	BRDJBUZXWIRNMV-UHFFFAOYSA-N	550.706	4.645	50	50	KJGA	
CCOC(=O)N/N=C(/C)[C@@]12ON=C(C(=O)OCC)[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	118920877	IJKPEDMDYLWPMU-CLKVNSKRSA-N	557.688	4.917	50	50	KJGA	
COc1cc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3)C3=C2C(=O)CCC3)cc(OC)c1OC	713639	OZWUWCSIINGBDH-JOCHJYFZSA-N	510.388	4.780	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OCC)cc1	4330431	WHECBTNMRVYBKG-KCSSXMTESA-N	574.659	4.994	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(Br)ccc1OC(=O)/C=C/c1ccccc1	4283059	VGCXHXNFXVMZLL-MBCVTLGFSA-N	540.801	4.601	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)cc1	4355434	HNNLUDAJMNPRQW-OKCVXOCRSA-N	509.990	4.597	50	50	KJGA	
CCN(CC)C(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@@H](C(=O)O)N2	229799152	SUNBETZXGKUILP-JLMLEOCNSA-N	504.008	4.827	50	50	KJGA	
Cc1ccc(C(=O)COC(=O)c2ccccc2N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C	239174001	PCASIOHQAXUWBN-QKIVABDASA-N	589.280	4.625	50	50	KJGA	
CC(=NNC(=O)CSc1nnc([C@@H](C)Nc2ccc(Br)cc2)n1C)c1ccc(F)cc1	245245131	ABMHKGYIAUSPDG-CQSZACIVSA-N	505.417	4.522	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl	2543704	GEKMTJBEJOPSLR-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cn1cc([N+](=O)[O-])cn1	2103718	OUPROWYAMRGTOM-WKULSOCRSA-N	506.522	4.827	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	2520072	YCWBXGNMSFSZGG-LGJNPRDNSA-N	574.229	4.561	50	50	KJGA	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4302831	AJUKHJNTVVAZAD-LQCVWJHPSA-N	553.527	4.951	50	50	KJGA	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	29492111	ZNCFNCZDHPRQDQ-PTGBLXJZSA-N	530.588	4.891	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)CNC(=O)c1cccc(Cl)c1	2532175	DOKRZSJWAMSRJL-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2cccc(Cl)c2)ccc1OC(=O)c1cccc(Br)c1	2566859	XFQTVBIXJNOLHG-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)CCCCCC(=O)N/N=C/c1cc(Br)ccc1OC	4527694	PTLBRYALFBMCCW-CIOBDNPFSA-N	582.293	4.780	50	50	KJGA	
O=C(CCC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)N/N=C/c1ccccc1OC(=O)c1ccccc1	4527781	VWKILEKTPOPFNY-WXGDAXOSSA-N	562.582	4.506	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OC)cc1	4302926	DECVNSMXQVMPIQ-KEIPNQJHSA-N	600.672	4.855	50	50	KJGA	
Cc1cc(=O)oc2c(C)c(OC(=O)CNC(=O)OCc3ccccc3)c(C[C@@H](Br)CBr)cc12	1246002	OSOGNQUKQITSAN-GOSISDBHSA-N	581.257	4.943	50	50	KJGA	
CSCCOC(=O)COc1ccc(/C=N/NC(=O)CN(c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1	105585524	NMAMDCXBSMUDKV-MUFRIFMGSA-N	610.541	4.624	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1	2531758	ZBFUBPGDVAZJQV-VTNSRFBWSA-N	529.980	4.991	50	50	KJGA	
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)N/N=C2/C(=O)N(CCc3ccccc3)c3ccccc32)cc1OC	100568581	ZPMIEXYEKZPHAU-IQLSEQRISA-N	574.637	4.585	50	50	KJGA	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1	2330688	ONGQBDWNRSXDDD-JFLMPSFJSA-N	550.438	4.726	50	50	KJGA	
COc1cc(C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc(OC)c1OC	2532191	XKMHIGIURKXZDT-MZJWZYIUSA-N	527.371	4.766	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1	4326837	AFXUOOKWVYVFLI-NXYZXBHKSA-N	542.342	4.503	50	50	KJGA	
CCN(CC)Cc1cc(C(=O)Nc2ccc(/C=N/NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)ccc1OC	20562365	OIDXWVPQLJELDK-STBIYBPSSA-N	517.586	4.770	50	50	KJGA	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2Cl)=C(C#N)[C@@H]1c1ccc(C)cc1	220953869	KLOOCQCQNOOLIZ-VQTJNVASSA-N	548.846	4.521	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OC(=O)c1ccc(Cl)cc1	2529599	KKDSIYLASLKZQO-FJEPWZHXSA-N	551.024	4.859	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)cc1OC	100743176	PTKNFZCKTFIUDO-OCSSWDANSA-N	577.663	4.610	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O	253499350	FKOVEMMPJVJFPM-QJGFXGAYSA-N	580.726	4.774	50	50	KJGA	biogenic
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1OC	4326646	BELHNWGCYYHNIZ-KPGMTVGESA-N	545.979	4.610	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(C)c(Cl)c3)cc2OC)cc1	4347055	WFMGZFULLLTETP-MUFRIFMGSA-N	523.973	4.754	50	50	KJGA	
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3nccs3)NC(C)=C2C(=O)Nc2ccccc2)ccc1O	59596592	CQMYQWJBTKDYEW-HSZRJFAPSA-N	533.635	4.564	50	50	KJGA	
COc1cc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)ccc1O	13944066	MLLZGAYYKDBSLT-JVWAILMASA-N	508.003	4.934	50	50	KJGA	
COC(=O)c1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1	2907691	AXWVCQUFQINVIZ-AJBULDERSA-N	541.629	4.941	50	50	KJGA	
COc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)C(C(C)=O)=C(C)N2)c([N+](=O)[O-])c1	12250257	BWDQNPHMTXOOJE-QHCPKHFHSA-N	512.975	4.914	50	50	KJGA	
CCn1c(SCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)nnc1-c1ccc(OC)cc1	2339339	NSYCNMPQHYVUCO-OGLMXYFKSA-N	501.612	4.795	50	50	KJGA	
O=C(CCCC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1)N/N=C/c1ccccc1OC(=O)c1ccccc1	4527807	YDHDKHMHZCTTCO-RSVUCGLWSA-N	576.609	4.896	50	50	KJGA	
COc1cc(/C=N/NC(=O)/C(=C\c2ccc3c(c2)OCO3)NC(=O)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	150402685	WTAPVVLOSSHBGU-YJJRCXJKSA-N	625.550	4.954	50	50	KJGA	
O=C(CNC(=O)c1ccc2c(c1)OCO2)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccccc1Br	150401833	MYYZDLKRMDZRMC-VYVUJPJFSA-N	682.119	4.802	50	50	KJGA	
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4302931	QZTBGAZHNNWHMD-LQCVWJHPSA-N	553.527	4.951	50	50	KJGA	
CC/C(=N\NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccc(C)cc1)c1ccc(O)cc1	12465231	BSOQTRJKPCMREN-ZZIIXHQDSA-N	501.612	4.980	50	50	KJGA	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4283089	SUMYXACKQZLXLT-HNSNBQBZSA-N	552.610	4.830	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)ccc1OC(=O)c1cccc(Br)c1	2521234	OMRSMMMVWKXVPD-UVHMKAGCSA-N	544.789	4.728	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)cc1	4283341	UPWJPJDWAJUXGG-AKBIMGJMSA-N	511.372	4.985	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(C)cc2)cc1	4283457	RMWLXSRBSWRPHC-JFLMPSFJSA-N	508.372	4.628	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@H](C)N(c2ccc(OC)cc2)S(C)(=O)=O)ccc1OCc1ccc(Cl)cc1	8442816	NLKHCFYZJUFSSF-HJHSVFMCSA-N	560.072	4.631	50	50	KJGA	
COc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c(OC)c1	1814917	XSYRKOZXFXUQSV-LQKURTRISA-N	501.612	4.811	50	50	KJGA	
CCOC(=O)c1c(NC(=S)NNC(=O)CSCc2ccc(F)cc2Cl)sc(C)c1CC	20191561	MAUULSZWRFBEJV-UHFFFAOYSA-N	504.074	4.839	50	50	KJGA	
COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1OC	20259249	ALFXNMMGFOGLCM-WSDLNYQXSA-N	513.985	4.887	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3cccc4ccccc34)cc2)cc1	4282543	LIHULZAGGNNLBV-BIZUNTBRSA-N	509.562	4.728	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1	2531789	DIUTYENUDOMOEY-STBIYBPSSA-N	513.506	4.895	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1	2544008	KJJDNOZADYQQER-WCMJOSRZSA-N	560.404	4.710	50	50	KJGA	
COc1cccc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)C3CCN4CC3)C3=C2C(=O)CCC3)c1OC	12371633	ATBRQXVFSNCJPP-QHCPKHFHSA-N	513.623	4.639	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3c(OC)cc(OC)cc3OC)n2-c2ccc(C)cc2)cc1	1474458	MVSPOEKWYQIGNW-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)cc3)n2-c2ccccc2)cc1OC	1899356	JRTIUHBZLJDCEJ-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1	4260956	MHANKSWOFBVSMH-UXHLAJHPSA-N	556.600	4.707	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(CNc3ccc(I)cc3C)n2-c2ccccc2)ccc1O	150391716	DZJMGIFTKXVDAY-IPPBACCNSA-N	628.496	4.749	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	2543921	UOGHGHSUWRAIKI-WYMPLXKRSA-N	502.708	4.994	50	50	KJGA	
O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Br)cc1	4261353	SFGLUHDHXYLXCR-CCVNUDIWSA-N	550.800	4.992	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)sc2c1CC[C@H](C)C2	4329603	RDQHHLCJEQVOAI-PCHPKZPRSA-N	547.633	4.666	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1cc(OCc2ccccc2)ccc1Br	4210707	JWZOPAOFEIECAR-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	4261189	YRGPITVIARXSKN-BIZUNTBRSA-N	536.588	4.924	50	50	KJGA	
COc1c(I)cc(I)cc1/C=N/NC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	150386774	PWAOHWOUVGAKBZ-LIMNOBDPSA-N	633.102	4.524	50	50	KJGA	
COc1cccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccccc3Cl)ccc3ccccc23)c1	2544281	BEKUPRPXGPQYLP-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl	59603425	MMISIRMWVGXJIX-UHFFFAOYSA-N	531.059	4.982	50	50	KJGA	
CC(C)C[C@@H](C(=O)OCC(=O)c1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O	150447647	QAPPVUHPVCRZLK-WULUENRISA-N	624.153	4.912	50	50	KJGA	
O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	239135300	LAEFPLQFPLJSNT-CPPNMTBBSA-N	611.674	4.584	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2C)cc1	2543724	XPIAARQYZIMDNL-JFLMPSFJSA-N	508.372	4.628	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3ccccc3I)cc2OC)cc1	4347340	VHYZTAMIOLFJEK-KBVAKVRCSA-N	629.451	4.578	50	50	KJGA	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1	1760513	DMXJEJBEIZXVLZ-RWPZCVJISA-N	520.014	4.925	50	50	KJGA	
O=C(N/N=C/c1ccc(/C=N/NC(=O)c2ccccc2Br)cc1)c1ccccc1Br	3123528	BEHRJIMJZOYAOH-BKHCZYBLSA-N	528.204	4.739	50	50	KJGA	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	4210451	NJBANPBFVISXGK-OKCVXOCRSA-N	508.607	4.749	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)c2ccccc2I)ccc1OC(=O)c1ccccc1	2530532	ORIRPYRZTQXJOF-MFKUBSTISA-N	514.319	4.673	50	50	KJGA	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N\NC(=O)/C=C/C(=O)N/N=C1/[C@@H](Br)[C@@H]3CC[C@@]1(C)C3(C)C)[C@H]2Br	253390204	NUHNIPNJEMPNDO-OVISGOFDSA-N	570.370	4.926	50	50	KJGA	
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C(=O)O)cc3)nnc2-c2ccc(Cl)cc2)cc1	2304431	QSSQNVDOWDCEFI-MZJWZYIUSA-N	505.987	4.837	50	50	KJGA	
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1	4283093	GAVIQVQIUOQUPS-FMFFXOCNSA-N	564.598	4.954	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc(OC)c1O	1474740	XIERUUCYYSLEDB-MZJWZYIUSA-N	524.002	4.553	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	2319818	IHDFIHKMMSOZOH-CVKSISIWSA-N	522.428	4.948	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	2544007	RYTBJTVZVGXSLW-IPPBACCNSA-N	581.448	4.578	50	50	KJGA	
O=C(CNC(=O)c1ccccc1Cl)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	2544273	LQQSJLQZPKBQTR-KVSWJAHQSA-N	549.208	4.855	50	50	KJGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1	4372835	IPHVTXFOVVFNDX-JVWAILMASA-N	542.373	4.992	50	50	KJGA	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)cc1	4259240	NYRGHCUREWLTNB-KBVAKVRCSA-N	516.001	4.862	50	50	KJGA	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(OC)c(CN4CCOCC4)c3)c3ccccc3n2)c1	19832239	HDAJPHABDIEHDY-UZWMFBFFSA-N	524.621	4.905	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC	2531544	OHQJXZLIYXJGBA-FYDYWCEBSA-N	572.368	4.511	50	50	KJGA	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1OC	2349124	AAVXKBPPCCYCCW-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(OC)c(OC)c3)cc2OCC)cc1	4347241	KJIFWFFFKPBLGT-RDRPBHBLSA-N	506.555	4.874	50	50	KJGA	
BrC1C(Br)C(Br)C(Br)C(Br)C1Br	1586309	QFQZKISCBJKVHI-UHFFFAOYSA-N	557.538	4.581	50	50	KJGA	in-vitro
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1	43190519	CUYGIMPYGUIPSZ-VVEOGCPPSA-N	510.356	4.865	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)cc2)c(OC)c1	4335688	FFEKCYMMOIGRDJ-MUFRIFMGSA-N	553.409	4.943	50	50	KJGA	
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)NCc2ccccc2)N1	9075337	RDZKCZLLCTZRHC-RUZDIDTESA-N	502.571	4.803	50	50	KJGA	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Br)cc2Cl)=C(C#N)[C@H]1c1ccc(C)cc1	220953925	KLOOCQCQNOOLIZ-WOJBJXKFSA-N	548.846	4.521	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)c1ccccc1Cl	2518546	ZSEOPJZSVTZTIV-KKMKTNMSSA-N	520.756	4.963	50	50	KJGA	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)sc(C(=O)N(C)C)c1C	20294813	VZURQIBNHNJVTF-CPNJWEJPSA-N	521.570	4.809	50	50	KJGA	
O=C(N[C@@H](C(=O)NN=Cc1ccccc1OCc1ccccc1)c1nnc(O)c2ccccc12)c1ccccc1	252678562	FJWRKVMYUWSFCW-MUUNZHRXSA-N	531.572	4.536	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1	2543897	NXFFIXKDAJGEFL-LGJNPRDNSA-N	575.213	4.528	50	50	KJGA	
Cc1ccc(S(=O)(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1	4210734	XOPQTRZIHBYKGM-MZJWZYIUSA-N	542.038	4.511	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)sc2c1CC[C@@H](C)C2	4260399	ZGSZFFDSKRLQEA-IUUQDGFPSA-N	519.623	4.717	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	4292963	CEKXWFDMGDHBKH-AMVVHIIESA-N	611.474	4.586	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1	4295738	ACYXQWQWMSXWHG-SVMUSQEWSA-N	513.506	4.893	50	50	KJGA	
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/NC(=O)C(=O)Nc1ccccc1Cl	2391572	VRSIEJDUBKFVSD-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2OCC)cc1	4335854	PFYSBZIANMUNMY-KEIPNQJHSA-N	600.672	4.855	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3cccc(Cl)c3Cl)cc2OC)cc1	2521687	KXTXEVYCCKKWJU-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
CCCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(OCC)cc2)cc1	4230150	QCKIOHVWNZKERU-VUTHCHCSSA-N	502.571	4.605	50	50	KJGA	
Cc1cc(Br)cc(Br)c1NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl	100683489	NDJLPYJICPLGJG-SNVBAGLBSA-N	546.927	4.858	50	50	KJGA	
O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	5296055	RQHNCEPOOPLGAH-YSURURNPSA-N	522.241	4.872	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)n2-c2ccc(OC)cc2)cc1	1879676	RGEFPYGDFUVYLD-MZJWZYIUSA-N	553.000	4.756	50	50	KJGA	
Cc1cccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)c1	2531195	BHGFOJULDMZCLV-ZCTHSVRISA-N	508.530	4.963	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1	2543249	XYZWHGPBUBEFFV-MZJWZYIUSA-N	525.355	4.950	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2OC)cc1	4329562	BJOOFQLBEFSZPI-OQIQZUQJSA-N	521.526	4.529	50	50	KJGA	
C#CCN1C(=O)[C@]2(C(C#N)=C(n3cccc3)N(c3cccc([N+](=O)[O-])c3)C3=C2C(=O)CCC3)c2ccccc21	12361925	TTXRIFNXBZLGKU-PMERELPUSA-N	515.529	4.534	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3Cl)cc2OC)cc1	4282895	SDRMRABNICMLOW-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	2531886	KBCXHQBTXZTGDR-AFUMVMLFSA-N	512.316	4.739	50	50	KJGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1	2532088	OBRXAPPBOCEZLE-IPPBACCNSA-N	505.983	4.962	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3cc([N+](=O)[O-])ccc3Cl)n2-c2ccccc2)cc(OC)c1OC	1848986	KHJIEWXWNDXNDJ-CCVNUDIWSA-N	583.026	4.764	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1	8818237	JTWCZHQZKLJAMI-OGLMXYFKSA-N	501.612	4.892	50	50	KJGA	
O=C(COC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1)c1ccc(Br)cc1	150643154	NVHSGNSGYGZLKE-VJQWSGFBSA-N	640.122	4.771	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	4260808	IYLUXJXHMADUIE-ZCTHSVRISA-N	506.562	4.915	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1	4293041	SBZGXDQTNPTUHV-NXYZXBHKSA-N	542.342	4.503	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)cc2)sc2c1CCCC2	4283188	DXZBAPKNXMQLKX-OCSSWDANSA-N	563.632	4.510	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1	2506371	QCRAMLHSOLLUES-JEWIKEISSA-N	511.372	4.903	50	50	KJGA	
CCc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OC)c(OC)c2)cc1	2531618	KBGQNFHECNEWCC-RWPZCVJISA-N	541.398	4.777	50	50	KJGA	
COc1cc(I)c(I)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	8398422	AKZLXFKZXHLBFZ-IZZDOVSWSA-N	527.103	4.845	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2nn(C)cc2Br)ccc1OCc1ccc(Cl)c(Cl)c1	20428325	JMRHMVQDPWINTE-PGGKNCGUSA-N	512.191	4.841	50	50	KJGA	
CCCCC[C@H](O)/C=C/C=C\CCCCCCCC(=O)NNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21	64858267	VGSREJALHGALEV-YGQJSJDGSA-N	536.783	4.644	50	50	KJGA	in-vitro
C=CCc1cccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c1O	100614044	VOHOHNDPPHDERM-OCSSWDANSA-N	559.648	4.637	50	50	KJGA	
COc1ccc(OCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	2530633	MWQVNLLBUJDAEX-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
COc1ccc(Br)cc1/C=N/NC(=O)CSc1nnc(SCc2ccccc2)s1	2592219	WZQXNGCOHDROSL-UFFVCSGVSA-N	509.476	4.844	50	50	KJGA	
Cc1ccc(C(=O)COc2ccccc2N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@@H]4Br)[C@@H]3C2=O)cc1C	239425900	VLCXCQXIRBJFIV-ONOFXPIZSA-N	561.270	4.847	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(C)c3)cc2)sc2c1CC[C@@H](C)C2	2529670	RDQHHLCJEQVOAI-AASYHSMQSA-N	547.633	4.666	50	50	KJGA	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1OC(=O)c1ccccc1	4302830	AJUKHJNTVVAZAD-QCLOQBNLSA-N	553.527	4.951	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc(OC)c1OC(C)=O	100858340	ZTRIGFHDBJPCQK-YSURURNPSA-N	553.087	4.669	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OC)c2)sc2c1CCCC2	4327195	DNAIAAVRMBFSJA-KBVAKVRCSA-N	593.658	4.519	50	50	KJGA	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1	100872472	YHSDRTKIBKXNNI-RELWKKBWSA-N	536.617	4.501	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccc(C)cc2)cc1	1873975	HLRNODJORDPNOK-MZJWZYIUSA-N	552.454	4.962	50	50	KJGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3I)cc2)cc1Cl	4260821	SWGNMPIYUSZOGM-LGJNPRDNSA-N	561.763	4.561	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2OC)cc1	4329563	BJOOFQLBEFSZPI-ADXYVXIDSA-N	521.526	4.529	50	50	KJGA	
COc1ccc(NC(=O)[C@H](c2ccc(C#N)cc2F)N(C(=O)C(Cl)Cl)[C@H]2CCCC[C@@H]2CO)c(C)c1	2325823226	KZTJUSKJMIZFNT-VSDWSMLSSA-N	536.431	4.878	50	50	KJGA	
N#CC1=C(N)n2c(s/c(=C\c3ccc(OCc4ccccc4C#N)cc3)c2=O)=C(C#N)[C@@H]1c1ccc(OCc2ccccc2C#N)cc1	150385686	FPWFVWBGLZMHQD-UXKOGUQUSA-N	644.716	4.763	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	253499351	FKOVEMMPJVJFPM-QNWBFUIPSA-N	580.726	4.774	50	50	KJGA	biogenic
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cc2)cc1	2519916	AHSDKBZLFBNHBV-NDZAJKAJSA-N	543.601	4.788	50	50	KJGA	
O=C(CNS(=O)(=O)c1ccccc1)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc12	2530569	RRTLKNUVJMGYER-WKULSOCRSA-N	556.427	4.794	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	4347089	IGBLVSMLWWAMFZ-AMVVHIIESA-N	544.391	4.500	50	50	KJGA	
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)N1	59735482	CJDFIVWFPWOFAV-RUZDIDTESA-N	530.562	4.999	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1OC(=O)c1ccc(Cl)cc1	2584669	WRVXMXIWVLEDBQ-RWPZCVJISA-N	512.946	4.748	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)sc2c1CCCC2	102307042	VQDXXVCYFJNFDF-WKULSOCRSA-N	598.475	4.874	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2nnn(-c3nonc3N)c2-c2cccc([N+](=O)[O-])c2)cc(Br)c1OCc1ccc(Cl)cc1	150393336	RPENIEJCQQWMCP-PNQUVVCRSA-N	668.852	4.575	50	50	KJGA	
C/C(=N\NC(=O)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1)c1ccc(Br)cc1	245296576	LMYGJPSWJGHYIN-UENBNEAJSA-N	560.492	4.962	50	50	KJGA	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(Nc3cc(=O)[nH]nc3-c3ccccc3)C3=C2C(=O)CCC3)s1	12401144	MASWFBFWSMFSCI-XMMPIXPASA-N	512.639	4.923	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(CC)cc3)cc2OCC)cc1	4335862	SJDOPNKUVCBXJL-NDZAJKAJSA-N	517.582	4.745	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)n2-c2ccccc2)cc1OC	6090190	AUSQJBPQJKBRII-STBIYBPSSA-N	547.637	4.601	50	50	KJGA	
CCN(CC)c1ccc(/C=N/NC(=O)CSc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2-c2ccccc2)c(O)c1	100613978	OBZAMFRELSCURU-FDAWAROLSA-N	590.706	4.754	50	50	KJGA	
COC(=O)[C@H]1C(=O)NC(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)=C(C#N)[C@H]1c1ccc(C)cc1	1171927	ZTPBCXYEENWHJB-CLJLJLNGSA-N	527.602	4.897	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2OCC)cc1	4347483	DCPVLVCVRDKZJT-YPKLGXIKSA-N	535.553	4.919	50	50	KJGA	
Cc1ccc(N(Cc2ccc(C(=O)N/N=C/c3ccc(OC4CSC4)cc3)cc2)S(C)(=O)=O)cc1C	1191001	ZZYNSRFSECZZOE-RWPZCVJISA-N	523.680	4.528	50	50	KJGA	
COc1ccc(CCNC(=O)CSC2=C(C#N)[C@@H](c3cccc([N+](=O)[O-])c3)C3=C(CC(C)(C)CC3=O)N2)cc1	2849493	WXZIIBNNUYRBGF-AREMUKBSSA-N	546.649	4.761	50	50	KJGA	
COC(=O)c1c(NC(=S)NNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)sc2c1CCC2	2854613	OHNZNNUJYSCJRQ-UHFFFAOYSA-N	506.609	4.771	50	50	KJGA	
COc1cccc(/C=N/NC(=O)Cn2c(-c3nonc3N)nc3ccccc32)c1OCc1ccc(Cl)cc1Cl	51118605	UVGSHMIYTNPFRS-PNQUVVCRSA-N	566.405	4.713	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Cl)cc1	239173960	OZWGRPGCTZWAKE-RFPOMQOQSA-N	546.687	4.617	50	50	KJGA	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	1190939	RHPIZLGRUSALHR-BNCCVWRVSA-N	565.287	4.728	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)sc2c1CC[C@@H](C)C2	4282233	QMIHAOAIGWGRLZ-YEVVNVGGSA-N	547.633	4.666	50	50	KJGA	
Cc1cc(Br)c(NC(=S)N[C@H](NC(=O)CCl)C(Cl)(Cl)Cl)c(Br)c1	100683442	ZRYQBTALZLNAEV-JTQLQIEISA-N	546.927	4.858	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccccc2)cc1	2354806	RTBIXAZWCIABCN-VULFUBBASA-N	538.427	4.653	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)cc2)sc2c1CCCC2	4229788	FMBIFUZHWRPHGF-CCVNUDIWSA-N	551.422	4.569	50	50	KJGA	
COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1	1282657	ZTHRIPUKZUUASD-TURZUDJPSA-N	501.612	4.892	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1	4259453	VMEQMWGHSFUVLF-FDAWAROLSA-N	547.011	4.711	50	50	KJGA	
COc1ccc(Cl)cc1NC(=O)CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O	239274833	ASSQXHACRQPAIS-NLXTZRDGSA-N	576.713	4.625	50	50	KJGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	2543707	BHOWGYMZUBLHKN-CCVNUDIWSA-N	514.365	4.872	50	50	KJGA	
COc1ccc(/C=N/NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)cc1Cn1cnc([N+](=O)[O-])n1	101130296	JWONEZWSJWOWMO-XKJRVUDJSA-N	555.378	4.893	50	50	KJGA	
Cc1ccc(S(=O)(=O)N(CCO)c2ccccc2CP(=O)(c2ccccc2)c2ccccc2)cc1	1225918	HLCPPGVOVDFIHI-UHFFFAOYSA-N	505.576	4.697	50	50	KJGA	
CCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1	2326781	YMRUXLIUMRAOSR-MTDXEUNCSA-N	501.612	4.974	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3O)n2-c2ccccc2)cc1OC	100559065	WJGINEHGVKJLEJ-MZJWZYIUSA-N	568.453	4.662	50	50	KJGA	
O=P(c1ccccc1)(c1ccccc1)c1ccc([Si](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	199883581	TXBFHHYSJNVGBX-UHFFFAOYSA-N	536.687	4.703	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)/C=C/c1ccccc1	4283561	XIYNCBBAJDIFPM-MGKMIJRASA-N	523.383	4.994	50	50	KJGA	
COc1ccc(C(=O)NCC(=O)N/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1OC	2553391	VVIXXFUQAHBVHA-AMVVHIIESA-N	552.008	4.671	50	50	KJGA	
Cc1ccc(COc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)cc1	4302875	LZZDAEIJFXFKRV-ZCTHSVRISA-N	512.610	4.725	50	50	KJGA	
COc1cc(/C=N/NC(=O)COc2ccc(Br)cc2)ccc1OC(=O)c1ccc(Cl)cc1	2506431	ZQPBZCXTUKOZIQ-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
O=C(CNC(=O)c1ccc(F)cc1)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl	2532059	LXIVLPKEYPGHCR-VFLNYLIXSA-N	509.946	4.793	50	50	KJGA	
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl	3938677	WOFMFGQZHJDGCX-ZULDAHANSA-N	521.437	4.869	50	50	KJGA	biogenic,in-man
N#Cc1c(NC(=O)C(=O)N/N=C/c2cc(OCc3ccccc3)ccc2Br)sc2c1CCCC2	4209547	TZTZBPOTPKHXQB-CCVNUDIWSA-N	537.439	4.929	50	50	KJGA	
O=C(CNS(=O)(=O)c1ccc(Cl)cc1)N/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1	4210753	KAQXHLIDGVCIHZ-UVHMKAGCSA-N	562.456	4.856	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	2542472	CQSKBAMTAVCJKW-VTNSRFBWSA-N	552.612	4.968	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(OC)cc3)c(OCC)c2)c(OC)c1	4347261	YTHBYVICCWDZPR-UXHLAJHPSA-N	518.566	4.579	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1)c1ccccc1I	4366208	QALGDQLRIWJRFS-ZMOGYAJESA-N	596.162	4.879	50	50	KJGA	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)c(Cl)c3)c(OC)c2)cc1	2584721	BGKSVVFGZIUSLF-UVHMKAGCSA-N	503.338	4.759	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(=O)c1ccccc1	2531339	LZFLWSVQDBICJD-MZJWZYIUSA-N	500.338	4.700	50	50	KJGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1c(OC(=O)c2ccccc2Cl)ccc2ccccc12	2542832	KFEFZUUSJCCRFS-MUFRIFMGSA-N	501.926	4.810	50	50	KJGA	
COC(=O)c1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1	1883129	JHJIEZMKEJZOHG-JFLMPSFJSA-N	505.987	4.617	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc(OC)c1OC(C)=O	5402967	IKFHAZXJLOPDRG-IPPBACCNSA-N	553.040	4.923	50	50	KJGA	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc5c(c4)OCO5)c32)c1OCc1ccc(F)cc1	8568241	HZVLXCJWEZQWSC-HSZRJFAPSA-N	512.497	4.750	50	50	KJGA	
CCOc1ccc(Br)cc1C(=O)N/N=C/c1cc(Br)cc(Br)c1O	2388496	AXPJABXYOBSCOI-DNTJNYDQSA-N	521.003	4.842	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cccc(Br)c3)c(OC)c2)c(OC)c1	4335643	RTTKANNTCCCTMK-MUFRIFMGSA-N	553.409	4.943	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2cc([N+](=O)[O-])ccc21)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	253498034	FKOVEMMPJVJFPM-KIKAOSJQSA-N	580.726	4.774	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2cccc(Cl)c2)c1	2553450	ZIAQUMIVMTTYEQ-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
CCOc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(OC)cc3OC)nnc2-c2ccccc2)cc1	9273090	YTMKVLAAKBUHRP-OGLMXYFKSA-N	517.611	4.593	50	50	KJGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OS(=O)(=O)c4cccc(C(F)(F)F)c4)ccc32)cc1OC	1857800984	XFCNFXPDHMRBBK-HSZRJFAPSA-N	532.496	4.708	50	50	KJGA	
COc1cc(-c2nnc(SCC(=O)N/N=C/c3ccc(Br)cc3)n2-c2ccccc2)cc(OC)c1OC	1802878	ZWFGEZVMMQAUHY-RWPZCVJISA-N	582.480	4.965	50	50	KJGA	
C=C(C)Cn1c(SCC(=O)N/N=C/c2cc(Br)ccc2O)nnc1-c1ccc(Br)cc1	2385200	CQEZNIKEPWBFAO-YSURURNPSA-N	565.291	4.994	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)COc2cccc(Cl)c2)cc1	2543982	RLQQASMKGRMADK-LGJNPRDNSA-N	517.763	4.859	50	50	KJGA	
CCCCCCC(=O)Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1	239203349	SEUJXQZYAGZBCZ-MSPXFKQSSA-N	527.253	4.845	50	50	KJGA	
CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)[C@@H]1c1ccc(Br)cc1F	989280	AYPNBMBKCUARQA-FQEVSTJZSA-N	543.418	4.889	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2I)ccc1OCc1ccc(Cl)cc1	2543833	MJIZOIFNVHWLHF-IPPBACCNSA-N	591.833	4.802	50	50	KJGA	
CCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12	101148838	CVMXPPQBNJUHBS-DJDVYCAUSA-N	560.805	4.976	50	50	KJGA	in-vitro
COc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl	2532068	PUGQZIDMLZWRHC-VVEOGCPPSA-N	539.972	4.802	50	50	KJGA	
COc1ccc(-c2nn(Cc3ccccc3Cl)cc2/C=C(\C#N)C(=O)NCc2cccnc2)cc1OC	20259269	GMVZCPHUYFNVFF-WSDLNYQXSA-N	513.985	4.887	50	50	KJGA	
COc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2OC(=O)c2ccccc2)cc1	4292487	IETJALIKRNBLEO-ZCTHSVRISA-N	524.529	4.663	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1	2532113	JJZLNAHRROCIOO-KVSWJAHQSA-N	504.757	4.746	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1	4296042	SJLNXMFIJLKECZ-WJGWSCHNSA-N	556.369	4.893	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccc(F)cc2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2532086	AOWJGGJLZJFLQN-VVEOGCPPSA-N	532.355	4.631	50	50	KJGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1cccc(OC(=O)c2ccc(Cl)cc2Cl)c1	2542648	KFENDGRWTRTAGH-KVSWJAHQSA-N	596.208	4.697	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccccc2Cl)cc1	2544485	IWKLEJQDSPXMDT-IPPBACCNSA-N	558.816	4.601	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)ccc1OC(=O)c1ccccc1	4259360	NEQWGNXAKAZATD-KCSSXMTESA-N	570.989	4.909	50	50	KJGA	
CCOC(=O)c1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)sc2c1CCCC2	102306925	VIGYMESLOIAJKX-WKULSOCRSA-N	554.024	4.765	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)sc2c1CCCC2	2552992	LWJWMRSGGPYSEN-CCVNUDIWSA-N	551.422	4.569	50	50	KJGA	
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)cc1	4260554	PQPPGSSNBDOWQF-UXHLAJHPSA-N	551.632	4.935	50	50	KJGA	
O=[N+]([O-])c1ccc(-c2nc(O)c([P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(S)n2)cc1	97950541	FDNMGBUAIUDYBF-UHFFFAOYSA-O	510.535	4.666	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C[C@H]2[C@H](Br)[C@H]1Br)Nc1ccc(Br)cc1	229887066	DKEUBAULYQWYLO-RFPOMQOQSA-N	591.138	4.726	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(=O)/C=C/c1ccccc1	2521826	URHRKYUBMYBYCO-LCCJIDFJSA-N	512.349	4.710	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(OCC)cc3)cc2OCC)cc1	4330901	FXHVGTBUKUQRCP-NDZAJKAJSA-N	533.581	4.581	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2nnc(-c3ccccc3)s2)ccc1OC(=O)c1ccc(Cl)cc1Cl	2542513	ANYYWZSPDOCTJB-XODNFHPESA-N	570.414	4.829	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2OC)cc1	4259203	ALYLAHKVTOTWIS-AMVVHIIESA-N	552.008	4.671	50	50	KJGA	
COc1ccc(-c2nnc(SCC(=O)N/N=C/c3cccc(Cl)c3)n2-c2ccccc2)cc1OC	1856929	UGJYLCKWVVKCSD-JFLMPSFJSA-N	508.003	4.847	50	50	KJGA	
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)c(OC)c2)c(OC)c1	4335641	UNVIOPFRDDUXRM-PNZZTLHMSA-N	500.551	4.580	50	50	KJGA	
CSCC[C@H](C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1)N1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@@H]3Br)[C@@H]2C1=O	239046663	FWQJCEAJPHLFQR-ADNORGGQSA-N	649.401	4.979	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c(OC)c2)cc1	4360056	DEZBPYFBSDKGFI-AMVVHIIESA-N	544.391	4.500	50	50	KJGA	
O=C(CNC(=O)c1cccc(Br)c1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	43190575	ZLYFFSJTUCGFCY-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
C/C(=N\OCC(=O)N/N=C1\C(=O)N(CN2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2ccc(Br)cc21)c1cccs1	245225973	CJRWDLCRXVZHDF-CRBRLCKLSA-N	586.556	4.976	50	50	KJGA	
COc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)c1OC	1860280	KXTGYDFVMBWTFZ-JFLMPSFJSA-N	552.454	4.956	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)CNC(=O)c2ccccc2C)ccc1OC(=O)c1ccc(Cl)cc1Cl	2542636	QZJSPSNHXBFGRF-AMVVHIIESA-N	528.392	4.800	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(Cl)cc1	2544117	VJAIDYXRKXAMBP-ZXSUQFSISA-N	511.918	4.784	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CSc3nnc(C)n3-c3ccccc3)cc2)cc1	4231387	QSIHZOQWHJDPMZ-RDRPBHBLSA-N	529.622	4.826	50	50	KJGA	
COc1ccc2c(Cl)c(C(=O)Oc3ccc(/C=N/NC(=O)CNS(=O)(=O)c4ccc(Cl)cc4)cc3)sc2c1	102306800	CXBZBQBYBYONDN-XODNFHPESA-N	592.482	4.865	50	50	KJGA	
COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2	196148423	ZLUUPZXOPGORNG-JLZGXKMHSA-N	784.394	4.916	50	50	KJGA	
O=C1[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C(=O)N1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	239425705	VASKOMIOHAYDFL-VWQYPGANSA-N	520.177	4.544	50	50	KJGA	
O=C(N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12)C(=O)Nc1nnc(-c2ccccc2)s1	4260993	RADSGZABGLOEST-STBIYBPSSA-N	521.558	4.666	50	50	KJGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccc(Br)cc3)cc2OCC)cc1	4293249	HXCVDSVKJVWGKJ-STBIYBPSSA-N	568.424	4.945	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1OC	101124927	PQHCKIVCFNZCGY-UPKQYBOFSA-N	543.532	4.902	50	50	KJGA	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1	1207631	CCXPPBRHCHECEM-STBIYBPSSA-N	507.623	4.979	50	50	KJGA	
C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1	4398124	BGYVLTWKMFBZGI-MUXKCCDJSA-N	500.338	4.894	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CCC(=O)N/N=C/c3ccc(OC(=O)c4ccc(OC)cc4)c(OC)c3)cc2OC)cc1	4527778	AHNIXHOUHKURLP-DITNJDIQSA-N	682.686	4.540	50	50	KJGA	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(Nc3cc(=O)[nH]nc3-c3ccccc3)C3=C2C(=O)CCC3)s1	12401142	MASWFBFWSMFSCI-DEOSSOPVSA-N	512.639	4.923	50	50	KJGA	
C[C@H](CCC(=O)N/N=C1\C(=O)Nc2ccc([N+](=O)[O-])cc21)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O	253499173	KSWAFYAIOOUUMS-JGUNRQNVSA-N	580.726	4.774	50	50	KJGA	
COc1ccc(CCC(=O)N/N=C(\C)c2cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c2)cc1	20158113	XJGSUBVAHKUKEE-IURWMYGYSA-N	507.406	4.940	50	50	KJGA	
CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)NNC(=O)CSCc1ccc(F)cc1	20168663	LMFRNXUOUKSNSV-UHFFFAOYSA-N	517.673	4.906	50	50	KJGA	
O=C(N/N=C/c1cc(Br)ccc1OC(=O)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1	2584959	YTMHOQQVMCHSEG-WYMPLXKRSA-N	502.708	4.994	50	50	KJGA	
O=C(N/N=C/c1cc2ccccc2nc1Cl)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	4258897	DGKHPMBZCHPYEC-CCVNUDIWSA-N	506.349	4.883	50	50	KJGA	
O=C(COc1cccc(Cl)c1)N/N=C/c1c(Br)cc(Br)c(O)c1Br	2900015	IVSBXNWSADBSOD-CGOBSMCZSA-N	541.421	4.862	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)cc1	4259732	NKJGHROZNGZVEA-LQKURTRISA-N	532.398	4.789	50	50	KJGA	
NS(=O)(=O)c1ccccc1C(=O)N/N=C(\c1ccccc1-c1ccccc1)[C@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1OC(=O)c2ccccc21	150571906	GZHQFZRPWIXPLD-FMKAHSRSSA-N	717.716	4.779	50	50	KJGA	
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	4261277	TWCRTVDQAWWYLQ-LGJNPRDNSA-N	514.763	4.719	50	50	KJGA	
O=C(COC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccc(Br)cc1	239165289	NVHSGNSGYGZLKE-YBZCJVABSA-N	640.122	4.771	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2cccc(C)c2)ccc1OC(=O)c1ccc(Cl)cc1Cl	4327343	HLPJBAWLVJWRAX-UVHMKAGCSA-N	500.338	4.618	50	50	KJGA	
NS(=O)(=O)c1ccccc1C(=O)N/N=C(\c1ccccc1-c1ccccc1)[C@@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)[C@H]1OC(=O)c2ccccc21	150571911	GZHQFZRPWIXPLD-IZWDSXJDSA-N	717.716	4.779	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(OCC)cc2)cc1	4296186	RSLXYLDBFRRFTR-LQKURTRISA-N	554.397	4.555	50	50	KJGA	
O=C(Oc1cccc(N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)c1)c1ccc(Cl)cc1	239174074	PFHQUZJMZCCMFO-VWQYPGANSA-N	553.634	4.842	50	50	KJGA	
O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N/N=C/c1ccc(O)cc1O	2360232	RHVXKXUICJJXIZ-RPPGKUMJSA-N	514.394	4.895	50	50	KJGA	
Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3C)cc2)cc1	4282625	WZWWCBRGWUZQCA-BIZUNTBRSA-N	534.572	4.864	50	50	KJGA	
Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)CNC(=O)c2ccc(Cl)cc2)c1	102290665	IKCOITGDVKIIBI-XODNFHPESA-N	528.790	4.510	50	50	KJGA	
COc1cc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)ccc1OC(=O)c1ccccc1Cl	2542766	XPWWLVPYBGKKRH-WCMJOSRZSA-N	515.953	4.601	50	50	KJGA	
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1OC	2335868	LFGDCUABZPXIKP-OGLMXYFKSA-N	501.612	4.892	50	50	KJGA	
O=C(CNC(=O)c1ccccc1I)N/N=C/c1cc(Br)ccc1OC(=O)c1ccc(Cl)cc1	4302515	WENXHAXCYNUEQN-KVSWJAHQSA-N	640.659	4.806	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1	4326835	AFXUOOKWVYVFLI-IXORVSQSSA-N	542.342	4.503	50	50	KJGA	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C/c1cc(Br)ccc1OCc1ccccc1	4230030	WRBRZKLLZSMFHC-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
COc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	4282832	FTQVAMXOJQUPIB-BIZUNTBRSA-N	536.588	4.924	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C[C@@H](Br)[C@@H](Br)C[C@H]3C2=O)cc1)c1ccc(Br)cc1	150402296	URYVPMWFVFILFG-SEXKYXSUSA-N	628.111	4.915	50	50	KJGA	
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3F)cc2)c1	2520187	BPPSUMWVYIAPAW-KCSSXMTESA-N	538.535	4.694	50	50	KJGA	
CCOc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1	2544063	QUZGQYPFWGPVHT-ZXSUQFSISA-N	511.918	4.784	50	50	KJGA	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl	2391515	LIXNZNGETYIQCE-MZJWZYIUSA-N	507.955	4.871	50	50	KJGA	
CCOc1ccc(C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC(=O)c2ccc(Cl)cc2)cc1	2542593	RGKKLFNNIYPMAT-IPPBACCNSA-N	558.816	4.601	50	50	KJGA	
CCOc1cccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)c1O	2335696	GFZHWZXEFCHCFT-LQKURTRISA-N	517.611	4.598	50	50	KJGA	
COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)nnn2-c2nonc2N)ccc1OCc1c(Cl)cccc1Cl	2520740	KZZPNWWAKBUYCK-VVEOGCPPSA-N	579.404	4.558	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1	2531609	XMUKUEPKZHOBQN-LGJNPRDNSA-N	511.328	4.560	50	50	KJGA	
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3sc4c(c3C#N)CCCC4)cc2OC)cc1	4282408	KFEKWRTWVXSNPS-KCSSXMTESA-N	574.659	4.994	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2OCC)cc1	4302873	PULJXSTVIVXYGC-OQIQZUQJSA-N	521.526	4.529	50	50	KJGA	
COc1ccccc1N(CC(=O)NN=C(Cc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccccc1	23634059	RFALRYHFVSSSGB-UHFFFAOYSA-N	527.646	4.848	50	50	KJGA	
Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)[C@@H]3[C@H]4C[C@@H]([C@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1Cl	239309977	HZIPVPRIVKIIIQ-SZRMMQHJSA-N	594.731	4.976	50	50	KJGA	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Br)cc2)ccc1OC(=O)c1ccc(C)cc1	4260176	QCRAMLHSOLLUES-VSWHYLHOSA-N	511.372	4.903	50	50	KJGA	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(OC(=O)c2ccccc2I)cc1	102316468	IIEFXSDIGLILQS-DHRITJCHSA-N	534.737	4.693	50	50	KJGA	
CCOC(=O)c1ccc(S(=O)(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccc(SC)cc2)cc1	1775975983	HTDJLTVZMKMMOJ-XMMPIXPASA-N	522.604	4.571	50	50	KJGA	
O=C(N/N=C/c1ccc(Br)cc1)[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)N2CCOCC2)[C@H]1c1ccccc1	245238593	VHUUKRSNSMIUBY-WHKZGSIKSA-N	546.465	4.572	50	50	KJGA	
COc1ccc(-n2c(SCC(=O)N/N=C/c3cc(OC)c(OC)c(OC)c3)nnc2-c2ccc(C)cc2)cc1	1474552	BOGVLAGBACCSJR-MUFRIFMGSA-N	547.637	4.520	50	50	KJGA	
COc1cc(/C=N/NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc(Br)c1O	1874811	OCEKJDSGFUNTEM-KKMKTNMSSA-N	573.856	4.758	50	50	KJGA	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3ccccc3C(=O)Nc3ccc(C)cc3)cc2OC)cc1	4259548	BHUKHUUDKGSMDJ-HNSNBQBZSA-N	580.597	4.573	50	50	KJGA	
O=C(CCCCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@H](Br)[C@H]3Br)[C@@H]2C1=O)Nc1ccccc1Cl	239073250	GTWPKQTUKNICGD-WITHRNOMSA-N	546.687	4.617	50	50	KJGA	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2c(OC(=O)c3ccc(OC)c(OC)c3)ccc3ccccc23)cc1	4355211	YUYRMQSNYFLDOG-FDAWAROLSA-N	541.560	4.564	50	50	KJGA	
CCCCOc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccc(OCC)c(OC)c3)CC(=O)N2)c1	9969700	PCGRLJLGPHSWEW-OAQYLSRUSA-N	509.628	4.983	50	50	KJGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2807172	NZMWOBJIMKKRJG-LTTYKRRRSA-N	502.530	4.932	50	50	KJGA	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C/c1ccccc1OCc1cccc(Br)c1	4209446	XSNORYCTTJYBEH-UVHMKAGCSA-N	500.780	4.562	50	50	KJGA	
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@@H](Br)[C@H]4Br)[C@@H]3C2=O)cc1)c1ccc(Br)cc1	150401595	DCBJFYQZKZNDIJ-RRPFGEQOSA-N	640.122	4.771	50	50	KJGA	
C[C@H](Oc1cccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C[C@H]3[C@H](Br)[C@@H]2Br)c1)C(=O)c1ccccc1	239328940	JVVXRYJQEKEHQJ-UQWVOAKJSA-N	547.243	4.619	50	50	KJGA	
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)C(=O)Nc3cccc(Cl)c3Cl)cc2OC)cc1	2542918	IGCWJHCUJMRZSB-CCVNUDIWSA-N	530.364	4.709	50	50	KJGA	
C=CCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OCC=C)c(OC)c2)cc1OC	4527626	WIAMPMYEEVEMGU-RWRHWQIFSA-N	550.656	4.774	50	50	KJGA	
CN1CC=C2C(C#N)=C(NC(=S)NC(=O)c3ccccc3)C(C#N)(C#N)[C@H](c3ccc(Cl)cc3Cl)[C@H]2C1	100742220	NBEMNJSDXJMLLW-JTHBVZDNSA-N	547.471	4.694	50	50	KJGA	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1)C(=O)Nc1ccc(Br)cc1	2506466	RNSHYDJWADXHRY-DHRITJCHSA-N	545.187	4.520	50	50	KJGA	
N#Cc1c(NC(=O)C(=O)N/N=C/c2ccccc2OCc2cccc(Br)c2)sc2c1CCCC2	4209263	PTSSGCHBLYPIRW-CCVNUDIWSA-N	537.439	4.929	50	50	KJGA	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1)c1nn(CCO)c(N)c1C#N	8443380	FXJSRGSSTKYRDR-VCHYOVAHSA-N	504.381	4.612	50	50	KJGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([C@@H]3[C@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)cc2)[C@H]2CCCC=C12	238901305	LGZFMXSVXDQDNY-KBJUPQRZSA-N	522.616	4.874	50	50	KJGA