smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)cc1[N+](=O)[O-]	16362038	QNFOSUUSQKYXSV-PXNMLYILSA-N	374.352	4.956	50	50	FJGA	
N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1cccc(C(F)(F)F)c1	2743983	SWVQJAJPVQKOMD-RMKNXTFCSA-N	356.756	4.966	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)s1)c1cc(C2CC2)nc2ccccc12	2735799	XNHAYMCPTGKTSB-KEBDBYFISA-N	355.850	4.591	50	50	FJGA	
CCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1OC	2790511	XMBLYGDSWSWXDJ-CPNJWEJPSA-N	369.303	4.658	50	50	FJGA	
N#C/C(=C(/O)Cc1ccccc1)P(=O)(c1ccccc1)c1ccccc1	100291099	MNGZEMMPJWCHOZ-DQRAZIAOSA-N	359.365	4.536	50	50	FJGA	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc(-c2ccccc2)n[nH]1	5635467	CGSATLVWHZBPPW-LFVJCYFKSA-N	366.424	4.508	50	50	FJGA	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(Cl)c(Cl)c1	1082130	QEXVEEHFBVYHEJ-FOKLQQMPSA-N	372.255	4.709	50	50	FJGA	
O=C(N/N=C/[C@H]1C[C@H]2C[C@H]1[C@H](C(F)(F)F)C2)c1cccc2ccccc12	252320621	GOTBAYUOSRIHTK-IPOOZNHZSA-N	360.379	4.780	50	50	FJGA	
CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)CS(=O)(=O)c1ccccc1	169833221	QERUHXIRYRNEAJ-INIZCTEOSA-N	356.604	4.754	50	50	FJGA	
COc1ccccc1[C@H]1C(C#N)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	666474	UAYLJWDRJITYGA-HXOBKFHXSA-N	370.452	4.580	50	50	FJGA	
N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1cccs1	9014904	WJHKIUITDFWMJG-ZDUSSCGKSA-N	360.891	4.674	50	50	FJGA	
Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1	644878	RDEWLIZYWHBRSH-FQEVSTJZSA-N	374.440	4.706	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2ccc(C3CCC3)cc2)c(C(F)(F)F)c1	799754544	PAMFZCOBKXLTLU-UHFFFAOYSA-N	359.351	4.601	50	50	FJGA	
O=C(N/N=C/c1cccs1)c1ccc(OCc2ccc(Cl)cc2)cc1	4360542	RRJPMBQNWRBHNN-CIAFOILYSA-N	370.861	4.744	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1	4248245	YJHNFWSRQVESLJ-SFQUDFHCSA-N	361.470	4.949	50	50	FJGA	
CO[Si](CCCCCCCCCCCBr)(OC)OC	169806599	FSLTZSGOMGZUJK-UHFFFAOYSA-N	355.389	4.770	50	50	FJGA	
COc1ccc(/C(C#N)=C/c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1OC	1187268	CUDDNKIZBAIZQR-CXUHLZMHSA-N	352.390	4.800	50	50	FJGA	
CC1=C(C#N)C(c2sc3ccccc3c2Br)C(C#N)=C(C)N1	25695184	NSRFCIMZTGEURB-UHFFFAOYSA-N	370.275	4.946	50	50	FJGA	
CCOc1ccccc1C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	713792	QIYQJPBRZXQJNI-XQNSMLJCSA-N	360.413	4.642	50	50	FJGA	
C#CCOc1ccc2ccccc2c1/C=C(/C#N)c1cccc([N+](=O)[O-])c1	2866102	SONFSAAHUUZFGV-JXAWBTAJSA-N	354.365	4.824	50	50	FJGA	
CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@]2(C)C=C[C@H]1C(=O)C2=O	257357947	QWNGTPYBVZGUPI-AXHMDWHKSA-N	350.575	4.631	50	50	FJGA	
N#C/C(=C/c1ccc([N+](=O)[O-])o1)c1nc2cc(C(F)(F)F)ccc2s1	33887402	CBOLPPZLAVFTAT-YVMONPNESA-N	365.292	4.880	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc(F)cc2F)o1)C(=O)Nc1ccc(F)cc1	252492147	MEFNATOXESDTLM-FMIVXFBMSA-N	368.314	4.910	50	50	FJGA	
Cc1cc(O[C@H](C)C(=O)N/N=C/C[C@H](C)c2ccccc2)ccc1Cl	4647160	OAUQQDBWNOWDCB-IXRGMQSNSA-N	358.869	4.712	50	50	FJGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(Cl)cc1	704138	VCSMZMACBQOFBA-INIZCTEOSA-N	354.862	4.612	50	50	FJGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)c(Cl)c2)[C@@H]2CCCC=C12	1228273	RPJCHGSFHZNJLG-CXAGYDPISA-N	369.255	4.587	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(Br)cc1	1228679	WGNFQCROLHPUAC-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
CC1=C(C#N)C(O)=NC(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	18323739	QUURPVQTCJQTMQ-QPEQYQDCSA-N	373.195	4.974	50	50	FJGA	
COc1cc(OC)c(/C=C(/C#N)c2cccc(F)c2)cc1Br	16425137	KWCAJDZBPLYDFS-MLPAPPSSSA-N	362.198	4.670	50	50	FJGA	
Cc1cc(O[C@H](C)C(=O)N/N=C/C[C@@H](C)c2ccccc2)ccc1Cl	4647158	OAUQQDBWNOWDCB-RNSHEFNFSA-N	358.869	4.712	50	50	FJGA	
N#C/C(=C/c1ccccc1Cl)C(=O)Nc1cccc(Br)c1	15745715	RAWSUYNOGAHWLJ-WQLSENKSSA-N	361.626	4.648	50	50	FJGA	
C[C@@H]1C[C@@]23CC(=O)CC[C@@H](CCC2=C[C@H]1O)[C@H]3O[Si](C)(C)C(C)(C)C	216467647	PZVSFGBNMDXBFH-BUDWNCPASA-N	364.602	4.853	50	50	FJGA	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3C)cc2)cc1	4347481	CVJHSLDAZPPDLK-BUVRLJJBSA-N	358.441	4.646	50	50	FJGA	
O=C(N/N=C/[C@@H]1C[C@@H]2C[C@H](C(F)(F)F)[C@@H]1C2)c1cccc2ccccc12	252320625	GOTBAYUOSRIHTK-SQRRHNBFSA-N	360.379	4.780	50	50	FJGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccccc1Cl	753118	ODOXBXUEZFILKR-HNNXBMFYSA-N	354.862	4.612	50	50	FJGA	
O=C(N/N=C\c1cccc(Cl)c1)[C@@H]1CC1(c1ccccc1)c1ccccc1	32650089	SWGJWPLGXPEQLJ-QAEYNFOBSA-N	374.871	4.796	50	50	FJGA	
Cc1ccsc1/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1	5061189	VJHQWELDERPMMC-NTUHNPAUSA-N	352.440	4.973	50	50	FJGA	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1)c1nc2ccccc2[nH]1	36091781	UHEUOACZTPQECK-FMIVXFBMSA-N	372.340	4.501	50	50	FJGA	
CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1	19774953	LFZRFEDDTRUPRF-QGZVFWFLSA-N	360.379	4.833	50	50	FJGA	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C	2854894	POFQASUAESVCLD-XSFVSMFZSA-N	355.441	4.948	50	50	FJGA	
O=C1c2ccccc2[C@H](Br)[C@H](Br)c2sccc21	2556092	FMLHOINVMYQJPG-QWRGUYRKSA-N	372.081	4.865	50	50	FJGA	
Cc1cc(C)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)c1	4210416	IRXBWJUWGADIPW-ZVHZXABRSA-N	359.473	4.783	50	50	FJGA	
N#C/C(=C/c1ccc(O)cc1)c1nc(-c2cc3ccccc3c(=O)o2)cs1	4957389	VZOFROLMBLULHT-DHDCSXOGSA-N	372.405	4.686	50	50	FJGA	
CCCCOc1ccc(C(=O)OC[C@H](Cl)C(Cl)(Cl)Cl)cc1	5590981	FVZABOVVYCSQRG-LBPRGKRZSA-N	374.091	5.000	50	50	FJGA	
CS/C=C(/C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100472521	CHOHNDGEHWHBAW-PYCFMQQDSA-N	360.442	4.708	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])n2)cc1	3997689	LGTYBHVZZLMGEN-XNTDXEJSSA-N	363.398	4.791	50	50	FJGA	
OB(O)c1ccc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1	202020354	UUOYDHJVGOATFJ-UHFFFAOYSA-N	365.241	4.503	50	50	FJGA	in-vitro
N#C/C(=C\c1cccc(Oc2ncccn2)c1)C(=O)c1ccc(Cl)cc1	4093050	LJBPBGVDEZWITE-LFIBNONCSA-N	361.788	4.712	50	50	FJGA	
C[C@H]1C[C@@]23CCCC[C@@H](CC(=O)[C@H]2C1=O)[C@@H]3O[Si](C)(C)C(C)(C)C	169831130	LFINKQWYOBQQDI-GDQDSAMQSA-N	350.575	4.751	50	50	FJGA	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1O	13943470	MZLYPNBWHGVVIB-MLPAPPSSSA-N	353.809	4.612	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC(O)=C3C(=O)CC[C@]31C[C@@H]1O[C@@H]1C2	257357287	NBPXGSKZCWZLSA-NLAABPRRSA-N	364.558	4.509	50	50	FJGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(Br)cc1	671579	SZHFLZAWKCLXEV-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(Cl)cccc2Cl)cc1	6131475	HKUDIXRJTHXCCE-LCYFTJDESA-N	352.242	4.640	50	50	FJGA	
CCCCSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1	2348698	SKIDDHTXBKZZCB-IBGZPJMESA-N	352.503	4.957	50	50	FJGA	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/C=C/c1ccccc1	4365973	SMRARQOAGUKNRJ-ZAKZVVJWSA-N	370.452	4.936	50	50	FJGA	
CC/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1Cl	17075539	HUQCGFUNEROHGH-MDBUFAAASA-N	368.091	4.808	50	50	FJGA	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	2276875	XNJOKCBLFWHXMB-FOWTUZBSSA-N	360.442	4.745	50	50	FJGA	
COc1ccc(C2=C(C=O)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1	721603	UOLZVHAGXPFTHI-QFIPXVFZSA-N	360.384	4.969	50	50	FJGA	
Cc1ccc2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c(Cl)nc2c1	6216654	SAXHTJLTIDISAR-UFFVCSGVSA-N	358.228	4.614	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc2ccccc2c1	12468242	BTHUAPFLFOUMCU-LFVJCYFKSA-N	368.440	4.692	50	50	FJGA	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1Cc1ccccc1	4820480	NXVOLBRZCXRPKM-XKZIYDEJSA-N	356.425	4.916	50	50	FJGA	
C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(Br)cc1	4948971	WYUGRORQUQIVSR-FYJGNVAPSA-N	367.246	4.756	50	50	FJGA	
Cc1ccc2[nH]c(C(=O)N/N=C/c3cccs3)c(-c3ccccc3)c2c1	1198508	ILNRFADHXVGHKS-LPYMAVHISA-N	359.454	4.969	50	50	FJGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)cc1	5297048	IGTSGXJOVPLNCR-BUVRLJJBSA-N	368.440	4.556	50	50	FJGA	
O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@H](C(F)(F)F)C2)c1cccc2ccccc12	252320627	GOTBAYUOSRIHTK-UGSAKATASA-N	360.379	4.780	50	50	FJGA	
CCOc1cc2c(cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1)OCO2	2835367	OAJBPDPCFSZWFR-MKMNVTDBSA-N	361.319	4.897	50	50	FJGA	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1	2780007	LYEYKRGTWDMABY-UDWIEESQSA-N	359.267	4.511	50	50	FJGA	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	4720871	RLGZLRLLFXKDQZ-KEBDBYFISA-N	371.651	4.566	50	50	FJGA	
Cc1csc(Sc2ccc(NC(=O)[C@H](F)Cl)cc2Cl)n1	2325897737	GGMKCXONHIYWKM-JTQLQIEISA-N	351.255	4.729	50	50	FJGA	
COc1ccc(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)cc1OC	6255339	RECFBOHWRXBPRR-UHFFFAOYSA-N	355.821	4.915	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1O	864081	JZRPPVZJUHAAGY-SDNWHVSQSA-N	364.788	4.851	50	50	FJGA	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1	5062188	ABQSJLZUHSOXDE-FOWTUZBSSA-N	369.380	4.674	50	50	FJGA	
COc1ccc(C=C(C#N)C#N)cc1COc1cc(C)c(Cl)c(C)c1	2774859	VVNQFBCAWGDLGW-UHFFFAOYSA-N	352.821	4.975	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1Br	4827379	SXSRLCUVOLHLDI-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
Cc1cccc(/C(C#N)=C\c2cc(Cl)c(OCC(=O)O)c(Cl)c2)c1	4866442	VMQIVNCMQDURNY-NSIKDUERSA-N	362.212	4.829	50	50	FJGA	
COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1OCc1ccccc1	19833989	JZJYWGQFMLSEAW-UHFFFAOYSA-N	371.440	4.556	50	50	FJGA	
O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc2ccccc12	2521761	HWIKEHHFFPIWNP-SSDVNMTOSA-N	373.239	4.676	50	50	FJGA	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1	2568886	AOFHPDFXIWYHBF-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc3ccccc3c2)n[nH]1	5033570	AJMJJUGXNXWFNE-XWJCGCQVSA-N	366.424	4.659	50	50	FJGA	
O=[N+]([O-])c1ccc2c(c1)[C@@H](Br)c1cc(Br)ccc1-2	1682489	QXCZEKJDCKEUFW-ZDUSSCGKSA-N	369.012	4.822	50	50	FJGA	
COc1ccccc1/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	5008874	RCKDEBQJEJQCJM-OQLLNIDSSA-N	363.398	4.791	50	50	FJGA	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2c(c1)OCO2	16361592	QBNOAVGJRLNSHS-ZROIWOOFSA-N	360.325	4.648	50	50	FJGA	
CC[Si](CC)(CC)O[C@H]1C=C(CCCCCCC(=O)OC)C(=O)C1	169899858	CVUYUBZMSCEMFT-KRWDZBQOSA-N	354.563	4.790	50	50	FJGA	in-vitro
CC(C)(C)C1CCC(=NNC(=O)COc2ccc3ccccc3c2)CC1	4372831	WHZFOXJRKCXLPY-UHFFFAOYSA-N	352.478	4.927	50	50	FJGA	
CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1	19774955	LFZRFEDDTRUPRF-KRWDZBQOSA-N	360.379	4.833	50	50	FJGA	
COc1ccc(OC)c(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)c1	6127483	KFVQVFLCBFBYGS-UHFFFAOYSA-N	362.212	4.951	50	50	FJGA	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1cc(C)ccc1C(C)C	4372840	FOPKIDGFYODCQI-KKZHTQKNSA-N	350.462	4.703	50	50	FJGA	
C=CCOc1ccc(Br)cc1/C=C(/C#N)c1cccc(C#N)c1	12343902	NHPYTSBTXQLWJR-YVLHZVERSA-N	365.230	4.950	50	50	FJGA	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)C1	254478521	IYKYPUMVBPLNAC-MMNUYKQESA-N	374.431	4.622	50	50	FJGA	
O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)C(Cl)Cl	949331	CVLDHXCZVSXYDC-UHFFFAOYSA-N	356.061	4.859	50	50	FJGA	
CCOc1ccc(/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1OCC	1127664	BOLLFJCVBWLVBU-GZTJUZNOSA-N	353.418	4.565	50	50	FJGA	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccccc1	2513476	LZTDOOUQKXVEGY-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
CSCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1	5020225	MPPCYRDBSFFNGR-INIZCTEOSA-N	364.923	4.679	50	50	FJGA	
CC(C)(C)OC(=O)N/N=C\c1ccc(-c2cccc(Br)c2)o1	4513643	AOPVTPWSOOCBHX-ZDLGFXPLSA-N	365.227	4.568	50	50	FJGA	
CCCCCCCCCCOc1ccc(/C=N/C(C#N)=C(\N)C#N)cc1	100167679	NKFIQJBPYKCCSQ-PMOSEHGJSA-N	352.482	4.842	50	50	FJGA	
Cc1ccc(P(=O)(Oc2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1	1234530	GCLROCMYPRAXST-UHFFFAOYSA-N	367.341	4.520	50	50	FJGA	
O=C(N/N=C\c1c[nH]nc1-c1ccccc1)c1ccc(-c2ccccc2)cc1	13321754	MJQPODDOZCDJAN-XYGWBWBKSA-N	366.424	4.508	50	50	FJGA	
N#CC(C#N)=C(N/C(=N/c1ccccc1)c1ccccc1Cl)C(F)(F)F	25691879	QTVRFNOBXLFZOM-UHFFFAOYSA-N	374.753	4.871	50	50	FJGA	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1	14922174	ZHHGZWXJFALDGG-VWPSMMGISA-N	354.453	4.998	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(Br)c1	1501169	ZSXVCMHYSMVHDR-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1	1190051	ZPXJDYLCPLDJBT-NTCAYCPXSA-N	362.360	4.640	50	50	FJGA	
C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1cccs1	12463828	PEBYPLZUVRFCST-PXLXIMEGSA-N	365.502	4.512	50	50	FJGA	
N#C/C(=C\Nc1ccccc1)c1nc(-c2cc3ccccc3oc2=O)cs1	13535724	HMCDPTNLDIBZPW-NTCAYCPXSA-N	371.421	4.893	50	50	FJGA	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1	14922171	ZHHGZWXJFALDGG-ZILGIFHJSA-N	354.453	4.998	50	50	FJGA	
COc1cc(C=C(C#N)C#N)ccc1OCc1cccc(C(F)(F)F)c1	1395098	DAZMDZLYQXWJCC-UHFFFAOYSA-N	358.319	4.724	50	50	FJGA	
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccccc2Cl)n[nH]1	9110762	LMIRGHJJQHEYHB-YDZHTSKRSA-N	374.831	4.647	50	50	FJGA	
C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(F)cc1	4976233	QQAGAPKULPBYSZ-XBIXJXDHSA-N	372.443	4.672	50	50	FJGA	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccccc3F)n2)c1	5044422	LYSVGGWGHDZNLN-KAMYIIQDSA-N	351.406	4.934	50	50	FJGA	
CC(C)[C@@H]1COC(C2=CCC[C@H]2P(c2ccccc2)c2ccccc2)=N1	1857523952	OGUWGOGPZSKWLC-FCHUYYIVSA-N	363.441	4.661	50	50	FJGA	
C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(F)cc1	4976232	QQAGAPKULPBYSZ-KDPMPHTCSA-N	372.443	4.672	50	50	FJGA	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OC(C)C	12382781	YIYXNWSMCHQEHF-GDNBJRDFSA-N	370.836	4.681	50	50	FJGA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)CCl	257346975	JXGFGNDGQLRGPL-VDCQTKDASA-N	352.946	4.814	50	50	FJGA	
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1S2	22341293	DCCJLZAXJLKWQN-UHFFFAOYSA-N	362.838	4.623	50	50	FJGA	
COc1ccc(C(=O)N/N=C(\C=C\c2ccccc2)c2ccccc2)cc1	16310816	SOFWGLJKULNCKF-GLQJEERBSA-N	356.425	4.543	50	50	FJGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2CC(=O)C[C@H]2C[C@H]1O[C@H]1CCCCO1	169983414	XAZDKAKHGDRBAD-NLNMYJFZSA-N	368.590	4.535	50	50	FJGA	
Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	2643789	MUJGZJLSDPJPEO-SDQBBNPISA-N	368.742	4.758	50	50	FJGA	
N#C/C(=C/Nc1ccccc1F)c1nc(-c2ccc3c(c2)OCO3)cs1	100411323	JABRJSQWNZCDBY-LCYFTJDESA-N	365.389	4.654	50	50	FJGA	
CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19770457	PDNBVGHPHSDNCT-JTSKRJEESA-N	358.416	4.711	50	50	FJGA	
CCCCc1ccc(OCC(=O)N/N=C(C)/C=C/c2ccccc2)cc1	4372786	VIZAURODPOSZBT-KKZHTQKNSA-N	350.462	4.614	50	50	FJGA	
O=C(Nc1ccccc1OC(F)(F)[C@H](F)Cl)NC1CCCCC1	4990164	BDSFDBYQGIVUCB-ZDUSSCGKSA-N	350.768	4.647	50	50	FJGA	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/C=C/c1ccccc1	4365971	SMRARQOAGUKNRJ-MTYCGSIFSA-N	370.452	4.936	50	50	FJGA	
CC(=C/c1ccccc1)/C=N/NC(=O)COc1cccc(Cl)c1Cl	2544249	XAOMKLGKUIUOTF-NJXPEDOVSA-N	363.244	4.578	50	50	FJGA	
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@]2(C)CCC[C@@H]12	118928614	QWGULHWDLZYDCS-SBLWERCSSA-N	367.327	4.541	50	50	FJGA	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)c1	1190262	DBKSUMQMFLNMJA-XSFVSMFZSA-N	355.441	4.948	50	50	FJGA	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1Cl	1500987	OAUKIIXOUPEDOM-FOKLQQMPSA-N	372.255	4.709	50	50	FJGA	
C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1	43761362	MCUVCHMTXFBTJZ-YPZZKDGISA-N	371.651	4.564	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCCC[C@@]13CCC(=O)[C@@H]3C(=O)CC2	169831019	ADPRPPLNHNZCIJ-DEYWJSPQSA-N	350.575	4.895	50	50	FJGA	
C[C@H]1C[C@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccc(F)cc3)nn12	1857800570	GHCHRPKDFFDBOP-GZMMTYOYSA-N	351.212	4.530	50	50	FJGA	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc2cc(C(F)(F)F)ccc2s1	5042013	CBOLPPZLAVFTAT-VMPITWQZSA-N	365.292	4.880	50	50	FJGA	
CC(=C/c1ccccc1)/C=N/NC(=O)COc1cc(C(C)C)ccc1C	43761072	FMNYBCZOJHNRCL-RRJFKAAMSA-N	350.462	4.703	50	50	FJGA	
CC(CC1CCCCCCCCCCC1)=NNC(=O)CC1(C)OCCO1	252679570	OLIOKLAZBXTTJX-UHFFFAOYSA-N	366.546	4.943	50	50	FJGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1	753185	WTCNQGMYZSRWBO-IBGZPJMESA-N	362.816	4.720	50	50	FJGA	
Cc1ccc2cc(/C=N/NC(=O)c3cc4ccccc4o3)c(Cl)nc2c1	5795843	HBPUCEJSTBBOCO-SSDVNMTOSA-N	363.804	4.707	50	50	FJGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1[C@H]2CC(=O)C[C@H]2C[C@H]1O[C@@H]1CCCCO1	169983410	XAZDKAKHGDRBAD-UKNAQKAOSA-N	368.590	4.535	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccc(C)cc1	1205190	CSIHFFHVDCZFEE-LFVJCYFKSA-N	368.440	4.692	50	50	FJGA	
CC[Si](CC)(CC)O[C@@H]1C=C(CCCCCCC(=O)OC)C(=O)C1	169982777	CVUYUBZMSCEMFT-QGZVFWFLSA-N	354.563	4.790	50	50	FJGA	
O=C(c1ccc(CBr)cc1)c1ccc(CBr)cc1	3098720	KNMYFELONYRSHT-UHFFFAOYSA-N	368.068	4.707	50	50	FJGA	
O=C1c2ccccc2[C@@H](Br)[C@@H](Br)c2sccc21	3120373	FMLHOINVMYQJPG-GHMZBOCLSA-N	372.081	4.865	50	50	FJGA	
Cc1cc(/C=C/C#N)cc(C)c1Nc1ccnc(Nc2ccc(C#N)cc2)n1	1554274	YIBOMRUWOWDFLG-ONEGZZNKSA-N	366.428	4.989	50	50	FJGA	aggregator,fda
Nc1cc(S(F)(F)(F)(F)F)ccc1CS(=O)(=O)c1ccccc1	108618844	VWRLVNHBGUUPCV-UHFFFAOYSA-N	373.368	4.900	50	50	FJGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(-c2ccccc2)cc1	2973550	RPMLCOMZPSDSGJ-PCLIKHOPSA-N	366.420	4.976	50	50	FJGA	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(F)cc2)cs1	3997892	PNVFHHAQSYJROO-NTEUORMPSA-N	351.362	4.922	50	50	FJGA	
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1CC2	2300605	HFHFGBYPWBMBIE-UHFFFAOYSA-N	372.852	4.646	50	50	FJGA	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(Br)cc1O	16319963	USZZHEGKBBYQHW-SDQBBNPISA-N	364.626	4.881	50	50	FJGA	
COc1ccc(Cl)cc1-c1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)o1	25694947	UCIKCVOCGPVCMJ-UHFFFAOYSA-N	365.820	4.891	50	50	FJGA	
CC(C)[C@H]1COC(C2=CCC[C@@H]2P(c2ccccc2)c2ccccc2)=N1	1857523926	OGUWGOGPZSKWLC-YADHBBJMSA-N	363.441	4.661	50	50	FJGA	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])c2ccccc21	6387364	JVOWOYQTAJCCJA-RVDMUPIBSA-N	374.400	4.676	50	50	FJGA	
COc1ccc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)c([N+](=O)[O-])c1	16215676	KFUBWQOXCSWGEV-YBEGLDIGSA-N	371.352	4.799	50	50	FJGA	
CCCCSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1	2348695	SKIDDHTXBKZZCB-LJQANCHMSA-N	352.503	4.957	50	50	FJGA	
Cc1ccc(NCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)cc1	4982361	MVNVVZWPNWMFOG-YSMPRRRNSA-N	367.452	4.864	50	50	FJGA	
CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C	170009031	DCFHRVSQGCDCMH-UONOGXRCSA-N	360.643	4.714	50	50	FJGA	
CC(C)c1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	100945064	PZKCSPPRNCZANO-PDGQHHTCSA-N	360.866	4.714	50	50	FJGA	
O=C(c1ccccc1)c1ccc(C(Br)Br)cc1	3051742	QIQYDFVEYFRGRS-UHFFFAOYSA-N	354.041	4.706	50	50	FJGA	
CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1	1244764	GSWXPXRLNHOHBZ-WSDLNYQXSA-N	366.852	4.617	50	50	FJGA	
C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc(Br)cc1	4806510	GJHCGYMXMVTNRP-WJDWOHSUSA-N	368.230	4.534	50	50	FJGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C\Nc2cc(Cl)cc(Cl)c2)cc1	100943319	KOGLOSFGRAKHNG-YBEGLDIGSA-N	367.257	4.553	50	50	FJGA	
CC1=CC(C)(C)N(C)c2cc3c(cc21)[C@H](c1ccc(C)cc1)C(C#N)=C(N)O3	1857526097	KFYJCPFAMCCLRA-QFIPXVFZSA-N	371.484	4.845	50	50	FJGA	
COc1ccccc1[C@H]1C(C#N)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	666482	UAYLJWDRJITYGA-SBUREZEXSA-N	370.452	4.580	50	50	FJGA	
N#C/C(=C/c1c[nH]c2ccc(Br)cc12)c1nc2ccccc2[nH]1	13943555	JEVPNGBAHAVUEV-XFFZJAGNSA-N	363.218	4.871	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)o3)n2)cc1OC	5061212	DSTAEUIOFNKWKW-RIYZIHGNSA-N	352.415	4.793	50	50	FJGA	
COc1ccccc1COc1ccc(C2C(C#N)=C(C)NC(C)=C2C#N)cc1	25539616	YMNYYPDOHMSEPW-UHFFFAOYSA-N	371.440	4.556	50	50	FJGA	
Cc1ccc(NCCCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	2996146	VRQVYWSZVQJMOX-WSDLNYQXSA-N	364.276	4.644	50	50	FJGA	
Oc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	95731617	GQROVDQFADBSIW-UHFFFAOYSA-O	369.424	4.886	50	50	FJGA	in-vitro
c1ccc([P+](Cc2ccncc2)(c2ccccc2)c2ccccc2)cc1	97976217	MEGTYQVCCTVACT-UHFFFAOYSA-N	354.413	4.576	50	50	FJGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1	4229758	WCBOZYYGFBXTEZ-LPYMAVHISA-N	351.837	4.511	50	50	FJGA	
COc1cc(OC)c(/C=C(/C#N)c2ccccc2F)cc1Br	12393010	LMIPIJSAYWVEBR-GHXNOFRVSA-N	362.198	4.670	50	50	FJGA	
C[C@@H]1C[C@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccc(F)cc3)nn12	1857800573	GHCHRPKDFFDBOP-LDYMZIIASA-N	351.212	4.530	50	50	FJGA	
Cc1ccc(S(=O)(=O)Sc2cc(C)c(CO)cc2C(C)(C)C)cc1	38963308	PAIDQJHQNXEBAN-UHFFFAOYSA-N	364.532	4.574	50	50	FJGA	
CC(=NNC(=O)c1ccc(CNc2ccccc2)cc1)c1ccc(C)cc1	253470503	KTFGAPWGMDSPSS-UHFFFAOYSA-N	357.457	4.761	50	50	FJGA	
COc1ccccc1/C=C(\C#N)c1nc(-c2ccc3c(c2)OCO3)cs1	16671896	SWZDURPAGWOVAS-OVCLIPMQSA-N	362.410	4.612	50	50	FJGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3ccoc3)c3ccccc3n2)cc1	673287	IXDUPFGJQSFEEP-ZVHZXABRSA-N	369.424	4.821	50	50	FJGA	
CSCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	5020031	GULBYXPBXHDDPH-MRXNPFEDSA-N	364.923	4.679	50	50	FJGA	
c1ccc([P+](Cc2cccnc2)(c2ccccc2)c2ccccc2)cc1	100733759	MUFCGZPTLGJYSL-UHFFFAOYSA-N	354.413	4.576	50	50	FJGA	
O=C(N/N=C\c1cccc(OCc2ccccc2)c1)c1ccc(Cl)s1	32573583	KPKNTXZGXOFIDT-MTJSOVHGSA-N	370.861	4.744	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC(O)=C3C(=O)CC[C@]31C[C@H]1O[C@H]1C2	257357289	NBPXGSKZCWZLSA-YKRLUAOBSA-N	364.558	4.509	50	50	FJGA	
N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@H]1c1c(Cl)cccc1Cl	706886	DCFORZKJJLYJSL-CQSZACIVSA-N	374.252	4.797	50	50	FJGA	
CC(C)[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@]2(C)C=C[C@H]1C(=O)C2=O	257357948	QWNGTPYBVZGUPI-UIVXKWKOSA-N	350.575	4.631	50	50	FJGA	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1cccc(F)c1	1058729	BZYUSXNAKUCMMJ-UYRXBGFRSA-N	372.399	4.907	50	50	FJGA	
O=C(N/N=C/c1ccccc1)c1ccc(OCc2ccc(Cl)cc2)cc1	4360519	OHNRIZBEHWNMNZ-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
C[Si](C)(C)C#CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	170154666	RHUBGQBGVOPZLF-UHFFFAOYSA-N	373.532	4.861	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc2ccccc2c1	946645	HENYVHQZPQWUCX-HYARGMPZSA-N	374.469	4.754	50	50	FJGA	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(C)cs3)o2)c([N+](=O)[O-])c1	4539910	BKDFTGDTACRPEF-MDWZMJQESA-N	351.387	4.992	50	50	FJGA	
FC(F)(F)c1cc(Br)cc(Br)c1N=C=S	31829450	UTULJDYKPNGFJG-UHFFFAOYSA-N	360.980	4.965	50	50	FJGA	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1Cl)c1nc2ccccc2[nH]1	5017781	ITSPEGJGOOVWEA-JXMROGBWSA-N	359.172	4.842	50	50	FJGA	
C=CCSC1=C(C#N)[C@H](c2cccc(Oc3ccccc3)c2)CC(=O)N1	9374928	IIXPSIUZKWAJGS-SFHVURJKSA-N	362.454	4.737	50	50	FJGA	
Cc1ccc(-c2n[nH]cc2/C=N\NC(=O)C2CCC(C(C)(C)C)CC2)cc1	4631383	LQTXHOLTJUZOGG-OYKKKHCWSA-N	366.509	4.688	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)cc3)n2)cc1OC	5008862	BXDLAXJYWCKIMM-OQLLNIDSSA-N	364.426	4.597	50	50	FJGA	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1	55450621	ZRJBBPJVDGAMJB-NTCAYCPXSA-N	373.368	4.709	50	50	FJGA	
C[C@@H](C/C=N/NC(=O)COc1cc(Cl)ccc1Cl)c1ccccc1	4647104	CZSWVNDZTKDIRN-IMRMQAIZSA-N	365.260	4.668	50	50	FJGA	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(F)cc1	15723732	AQPGBDDAQAQWBH-AQTBWJFISA-N	359.404	4.779	50	50	FJGA	
O=C(COc1ccc(Cl)cc1)NN=C1CCC(c2ccccc2)CC1	1209363	RGMFQACRWWKYFO-UHFFFAOYSA-N	356.853	4.549	50	50	FJGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)c3ccccc3n2)cc1	5617904	SRZCEMIKQGTLLK-PCLIKHOPSA-N	365.436	4.974	50	50	FJGA	
CCCc1cc(C(=O)N/N=C/c2ccc(CC)s2)c2ccccc2n1	1003332	KVXJHDODFJHNDX-FYJGNVAPSA-N	351.475	4.575	50	50	FJGA	
O=C(N/N=C/c1cccs1)c1cc(-c2ccccc2)nc2ccccc12	1476765	ULZZAIJMRRWYHU-HYARGMPZSA-N	357.438	4.727	50	50	FJGA	
C[C@@H](Sc1ccccc1)C(=O)NN=C(c1ccccc1)c1ccccc1	5722769	ZYRAIQGAKXHIBQ-QGZVFWFLSA-N	360.482	4.736	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc2c(c1)OCO2	17075559	DFAJSLSAYFCVGH-XDHOZWIPSA-N	368.392	4.628	50	50	FJGA	
CCN(CC)c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(OC)c1	16384046	WOZMHAACFDAHMB-BOPFTXTBSA-N	351.406	4.514	50	50	FJGA	
CC[Si](CC)(CC)O[C@H]1C=C(C/C=C\CCCC(=O)OC)C(=O)C1	169982772	OOQNWYMXCDLSSN-PXAMLJHWSA-N	352.547	4.566	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2ccc3sccc3c2)c(C(F)(F)F)c1	799750140	XHYQGKPTHVWCPN-UHFFFAOYSA-N	361.348	4.549	50	50	FJGA	
Cc1ccc(-c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)o2)cc1	644877	RDEWLIZYWHBRSH-HXUWFJFHSA-N	374.440	4.706	50	50	FJGA	
CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19770454	PDNBVGHPHSDNCT-VGOFRKELSA-N	358.416	4.711	50	50	FJGA	
O=C1c2ccccc2[C@H](Br)[C@@H](Br)c2sccc21	3120375	FMLHOINVMYQJPG-WDEREUQCSA-N	372.081	4.865	50	50	FJGA	
N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@@H]1c1ccccc1F	1157114	HNSMCWPWVRTPBJ-OAHLLOKOSA-N	372.852	4.751	50	50	FJGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3cccc4ccccc34)n[nH]2)cc1	5297614	RIADUTNOIAWYSO-BUVRLJJBSA-N	368.440	4.556	50	50	FJGA	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccccc1C(=O)O	16319632	JRQGZHYPDWHXLU-PDGQHHTCSA-N	360.388	4.996	50	50	FJGA	
COc1ccccc1[C@@H]1C(C#N)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	666468	UAYLJWDRJITYGA-UZUQRXQVSA-N	370.452	4.580	50	50	FJGA	
CCCCOc1ccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	4366111	FFFGOJFVVPOKRX-UHFFFAOYSA-N	374.525	4.953	50	50	FJGA	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl	1230738	FLAXVZHWGUORDF-UHFFFAOYSA-N	367.792	4.731	50	50	FJGA	
Cc1nn(-c2ccccc2)c(O)c1/C=C(\C#N)c1nc2ccccc2s1	5008906	OLUJPVIGHNHXLX-SDNWHVSQSA-N	358.426	4.560	50	50	FJGA	
CC/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1	4547896	NJOOULKZRVUOPK-NJGKLKBPSA-N	368.480	4.923	50	50	FJGA	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)NCc1ccccc1	5074016	FPXXFSGAYCXXHP-LGMDPLHJSA-N	360.438	4.654	50	50	FJGA	
C/C=C/CSC1=C(C#N)[C@H](c2ccc(CC)cc2)C(C(C)=O)=C(C)N1	2921954	OUYKBCFFDFDTPW-CYXJOQHWSA-N	352.503	4.843	50	50	FJGA	
CC(/C=N/NC(=O)CSc1nc2ccccc2s1)=C\c1ccccc1	13581835	DMWCZPNFMIFLEI-SVRYVPOOSA-N	367.499	4.594	50	50	FJGA	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	4704989	LAQXBRGWLJKTPI-VBKFSLOCSA-N	373.368	4.709	50	50	FJGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@@H]2CCCC=C12	19594881	RPJCHGSFHZNJLG-DYVFJYSZSA-N	369.255	4.587	50	50	FJGA	
COc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(Cl)ccc3n2)c1	6127476	QNDADZRTHPQVEJ-UHFFFAOYSA-N	362.212	4.951	50	50	FJGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1Cl	1754356	KJDZLRFTMYIZNI-WSDLNYQXSA-N	357.240	4.839	50	50	FJGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1Cl	1799617	HKSMUHUMCQCZRH-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
Cc1cc(C)cc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)c2ccccc2)c1	1069579	UMFQZIHMNSMBJE-UHFFFAOYSA-N	372.468	4.912	50	50	FJGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccc(Br)c1	1087188	QIVJAQYSVHATDZ-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	4997312	UMSJHHDNABGHPL-KEBDBYFISA-N	371.651	4.566	50	50	FJGA	
Cc1occc1C(=O)N/N=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	101276952	MJHNXEUBCZYZPZ-UUYOSTAYSA-N	356.466	4.653	50	50	FJGA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1cc(Cl)cc(Cl)c1	43761363	MCUVCHMTXFBTJZ-KTMXNEEYSA-N	371.651	4.564	50	50	FJGA	
C/C=C1\C[N@+]2(CCCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14	252441475	XQRRSKKQLILQOC-RWFHNCDESA-O	363.525	4.562	50	50	FJGA	biogenic
CCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	1966887	YOEMOYWDKSHSBU-LTGZKZEYSA-N	369.486	4.984	50	50	FJGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1cc2ccccc2nc1Cl	4210493	OABSFIQHMHVZQR-ZVHZXABRSA-N	373.843	4.734	50	50	FJGA	
C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	35653631	GKQFRIUVRULIAF-YPZZKDGISA-N	371.651	4.564	50	50	FJGA	
Clc1c(Br)cc(CBr)cc1Br	114359737	JKJVAQQJQXBJDX-UHFFFAOYSA-N	363.274	4.760	50	50	FJGA	in-vitro
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)c(Cl)c2)[C@H]2CCCC=C12	1228275	RPJCHGSFHZNJLG-SUMWQHHRSA-N	369.255	4.587	50	50	FJGA	
CCc1ccc2c(Cl)c(C(=O)NNC(=O)Nc3ccccc3)sc2c1	659794	NPMAYWVDZJFOGH-UHFFFAOYSA-N	373.865	4.584	50	50	FJGA	
Cc1ccc([C@@H]2C(C#N)=C(/N=C/N(C)C)Oc3c2ccc2ccccc32)cc1	100911506	JFTRPWYXXSBSFF-WGLQLPMYSA-N	367.452	4.998	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)cc1	5126056	CFAWTKMTSYDOFV-SRZZPIQSSA-N	373.243	4.538	50	50	FJGA	
CC1=C(C#N)[C@@H](c2ccc(Cl)nc2Cl)C2=C(CC(C)(C)CC2=O)N1	25695255	YJAOJGDJIHISFX-OAHLLOKOSA-N	362.260	4.516	50	50	FJGA	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1	2325809664	VMSUOMHJEFXXEE-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
CCC(Cc1ccccc1)=NNC(=O)CSc1nc2ccccc2s1	252679679	PXCQYUMWYFMZAU-UHFFFAOYSA-N	369.515	4.513	50	50	FJGA	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	2669674	FFSXMKQPWJREIE-HLVNSREUSA-N	374.234	4.958	50	50	FJGA	
CCOc1ccc(-n2cccc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	4451429	XWWWEZJABNELCF-PEZBUJJGSA-N	354.413	4.816	50	50	FJGA	
CCCC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1	4656595	HNQQYKSHXWEUNY-JZJYNLBNSA-N	359.267	4.773	50	50	FJGA	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2cccc(C#N)c2)o1	4810339	RTBVXLWNRQAMFQ-YBEGLDIGSA-N	371.352	4.799	50	50	FJGA	
N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@H]1c1ccc(F)cc1	9331283	NSQUHRAMWIFWSB-HNNXBMFYSA-N	372.852	4.751	50	50	FJGA	
CC(=C/c1ccccc1)/C=N/NC(=O)COc1cc(C)ccc1C(C)C	6404464	BXNLMSMMIFTEPK-FLKYWJEUSA-N	350.462	4.703	50	50	FJGA	
COc1ccc(C(=O)N/N=C(\C)c2ccc(-c3ccccc3)cc2)cc1OC	13304439	MMGBHKVSCGGVFC-LFVJCYFKSA-N	374.440	4.525	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N\NC(=O)[C@@H]3[C@H]4CCCC[C@H]43)ccc21	252427930	KYKWAIMTMJRAFT-GCFVVYESSA-N	359.473	4.701	50	50	FJGA	
O=C(CCl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1	1386083	FABBPALZPRVRSG-UHFFFAOYSA-N	354.180	4.828	50	50	FJGA	
CCCCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)s1	2290428	AZBLFOMXKWVPIT-KRWDZBQOSA-N	356.491	4.542	50	50	FJGA	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C)c3)cc2)cc1	4327612	NXVVCEKMKJRBRU-BUVRLJJBSA-N	358.441	4.646	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2c(Cl)cccc2Cl)c(C(F)(F)F)c1	799747074	WMQXRFQABCAMQX-UHFFFAOYSA-N	374.149	4.641	50	50	FJGA	
Cc1ccc(COc2ccc(/C=N/NC(=O)C3CCCCC3)cc2)cc1	2391549	YATCMXDHJOKSBA-HZHRSRAPSA-N	350.462	4.604	50	50	FJGA	
CC(C)(C)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1	799753833	UWAYFHXZOIVQGH-UHFFFAOYSA-N	361.367	4.631	50	50	FJGA	
COc1ccc2cc([C@@H]3C(C#N)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc2c1	627174	WEKXPDKPYDYKDI-JOCHJYFZSA-N	372.468	4.976	50	50	FJGA	
C=CCOc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC	4869819	RMLLCAGMDXQJHO-GZTJUZNOSA-N	359.429	4.817	50	50	FJGA	
CC/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccccc1	5353976	OKVOYDBPPJMIBY-HIXSDJFHSA-N	368.440	4.774	50	50	FJGA	
CC(C)Oc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1	2101441	XAYSJIGMRTWSFV-KEBDBYFISA-N	351.233	4.545	50	50	FJGA	
C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C)cc1	4950339	OAMAUUOKAZQETG-HWBIBUKPSA-N	368.480	4.841	50	50	FJGA	
N#CC(C#N)=Cc1cn(Cc2ccc(F)cc2Cl)nc1-c1ccccc1	17074669	ZLBWIISRILYVJZ-UHFFFAOYSA-N	362.795	4.821	50	50	FJGA	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	254792149	NPPIZZBLXAPCBO-DTECXMJPSA-N	374.484	4.867	50	50	FJGA	
OB(O)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1	196029945	MNWUURWKWDHFJB-UHFFFAOYSA-N	365.241	4.503	50	50	FJGA	
C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc2ccccc2c1	945886	YVRGSEMVEKGKKY-LFVJCYFKSA-N	368.440	4.692	50	50	FJGA	
C/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(Cl)s1	1005730	FHKNXJYUVPSDTJ-UDWIEESQSA-N	362.882	4.877	50	50	FJGA	
O=C1c2ccccc2C(=O)N1CCCCCCCCCCBr	2528156	LJFIOTMXPRSHSB-UHFFFAOYSA-N	366.299	4.798	50	50	FJGA	
CSCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1	5020222	MPPCYRDBSFFNGR-MRXNPFEDSA-N	364.923	4.679	50	50	FJGA	
CC1(C)C(=O)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1OCc1ccccc1	169836805	YZXPBCYSODIHMM-SJORKVTESA-N	364.558	4.545	50	50	FJGA	
CCc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1	1241235	IWAZIGDONIILJF-KOEQRZSOSA-N	369.468	4.897	50	50	FJGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1	4372532	LKMKOVYGJKLECL-KWCCSABGSA-N	350.890	4.816	50	50	FJGA	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)cc1[N+](=O)[O-]	15659642	IGHXLLQMYSZLNN-LFIBNONCSA-N	373.368	4.709	50	50	FJGA	
COc1ccc(/C=C(/C#N)c2nc(-c3cccs3)cs2)cc1OC	16134040	ABHHPRVEVZKPLK-JYRVWZFOSA-N	354.456	4.953	50	50	FJGA	
O=C1c2ccccc2-c2c1cc(OCCBr)c1ccccc21	2546338	NKUJSHGDTGBADB-UHFFFAOYSA-N	353.215	4.825	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@]12CC[C@@]1(C)C[C@@H]1C[C@](C)(CO)CC1=C2CO	169830612	HWNCMUHCZYULSL-ZEWNOJEFSA-N	366.618	4.648	50	50	FJGA	
CC1=C[C@@]23CCCC[C@@H](CC[C@H]4O[C@]42[C@H]1O)[C@@H]3O[Si](C)(C)C(C)(C)C	169831112	LLPKXAFAKNWTSX-DVFHKXEWSA-N	364.602	4.806	50	50	FJGA	
O=[N+]([O-])c1cccc([C@H](Cl)O[C@H](Cl)c2cccc([N+](=O)[O-])c2)c1	2810064	ZDILKLOHOQDXNU-OKILXGFUSA-N	357.149	4.695	50	50	FJGA	
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O)OO	8220097	SGUKUZOVHSFKPH-YNNPMVKQSA-N	368.470	4.517	50	50	FJGA	endogenous,in-man
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]12C	257356870	KUVKZKUBSUKKMO-QAQJGFNQSA-N	350.930	4.733	50	50	FJGA	
Cc1ccc(N/C=C(\C#N)P(=O)(c2ccccc2)c2ccccc2)cc1	826657266	WIWPVFIOGIPBSM-OQKWZONESA-N	358.381	4.786	50	50	FJGA	
FC(F)(Br)[C@](F)(Cl)[C@H]1CCCC[C@H]1Br	63067799	KVDWIHTZFHVBDS-XVMARJQXSA-N	358.423	4.832	50	50	FJGA	
Cc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)o1	4535340	IEFGVZYSLJFZPV-ZSOIEALJSA-N	360.394	4.882	50	50	FJGA	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@@H]2c1ccccc1	713350	XINMPGIIQPVXES-NRFANRHFSA-N	369.468	4.627	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N/NC(=O)CCc3ccccc3)ccc21	1228032	KSGRHBPQASIDHE-KOEQRZSOSA-N	369.468	4.897	50	50	FJGA	
CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@]2(C)C(=O)C[C@H]1C[C@H]2O	169833218	NPKMMTRFFBYCBU-YNIGFRRXSA-N	354.607	4.647	50	50	FJGA	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1	1187476	ACJNEIOWACCBDJ-RVDMUPIBSA-N	373.368	4.709	50	50	FJGA	
Cc1ccc(-c2cc(C(=O)Cl)c3cc(Br)ccc3n2)o1	6278991	VZERTSYNEYUFST-UHFFFAOYSA-N	350.599	4.945	50	50	FJGA	
CS/C=C(\C#N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100472517	CHOHNDGEHWHBAW-RELWKKBWSA-N	360.442	4.708	50	50	FJGA	
N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@H]1c1cccs1	8973253	OSRULJZCMUXOTP-GFCCVEGCSA-N	360.891	4.674	50	50	FJGA	
CC(/C=C\C=C\c1ccccc1)=N/NC(=O)c1ccc(Br)cc1	1565531483	ZTVQYPLUJFIFDR-OQMSGKDJSA-N	369.262	4.824	50	50	FJGA	
CC(C)c1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)c(O)c(C(C)C)c1	2110400	LNPCOWHAJVBRHC-WYMPLXKRSA-N	363.461	4.884	50	50	FJGA	
O=C(CBr)c1ccc(-c2sccc2Br)cc1	12370819	YTVAARIMMJZZIE-UHFFFAOYSA-N	360.070	4.755	50	50	FJGA	
CCc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(OC)cc3)sc2c1	2090545	KXMYLUNAKAKBJT-SRZZPIQSSA-N	372.877	4.890	50	50	FJGA	
S=C=Nc1c(Br)cc(Br)cc1Br	2390063	ACYYDRJUIUJDCG-UHFFFAOYSA-N	371.879	4.708	50	50	FJGA	
CC1=C(C#N)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19770430	ALMDTKBMNJNMJU-VGOFRKELSA-N	358.416	4.711	50	50	FJGA	
O=C(Cl)c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1	2534311	IGPAXQFPNXQNSF-UHFFFAOYSA-N	366.151	4.509	50	50	FJGA	
Cc1ccc([C@H]2C(C#N)=C(/N=C/N(C)C)Oc3c2ccc2ccccc32)cc1	100911504	JFTRPWYXXSBSFF-QVGKIPNLSA-N	367.452	4.998	50	50	FJGA	
CCOc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1	5906777	OHBVZCQUBUZQLM-RGVLZGJSSA-N	358.850	4.717	50	50	FJGA	
C[C@H]1C[C@@]23CCCC[C@@H](CC(=O)[C@@H]2C1=O)[C@@H]3O[Si](C)(C)C(C)(C)C	169831127	LFINKQWYOBQQDI-SOGVWKPYSA-N	350.575	4.751	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)N1CCCC1	409373536	WZZMKTIRAVFZPT-FMIVXFBMSA-N	361.228	4.783	50	50	FJGA	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	4723207	MVFTZOOREOQGDY-VBKFSLOCSA-N	373.368	4.709	50	50	FJGA	
CC1CCC(=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)CC1	4366424	ZNGPOMMRASFZGW-DJNXLDHESA-N	350.462	4.803	50	50	FJGA	
CCOc1ccc(Br)cc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1	16384070	XDAPWXKYROMUAL-ZSOIEALJSA-N	373.206	4.820	50	50	FJGA	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCCCCC3)cc2)cc1	208834007	VOFAIXBJAZTXIY-SILNSSARSA-N	359.473	4.921	50	50	FJGA	
O=C(N/N=C/c1ccccc1F)c1cc(-c2ccccc2)nc2ccccc12	1458041	DTCLAXOUYIGHII-MFKUBSTISA-N	369.399	4.805	50	50	FJGA	
CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc(CC)cc2)cc1	2837233	QTOWSWVVCZAVGO-UHFFFAOYSA-N	366.505	4.837	50	50	FJGA	
O=C(CCl)N[C@@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	1875384735	VSSMCSXAPDZWRV-OAHLLOKOSA-N	362.178	4.803	50	50	FJGA	
C#CCOc1ccc2ccccc2c1/C=C(/C#N)c1ccc(C(=O)O)cc1	2885164	DULVBNAETJEJFZ-RGEXLXHISA-N	353.377	4.614	50	50	FJGA	
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@@]2(C)CCC[C@@H]12	257349752	QWGULHWDLZYDCS-UZSWPKKGSA-N	367.327	4.541	50	50	FJGA	
COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)cc1	4751891	UXFGEPJVFNEQBQ-HXUWFJFHSA-N	374.440	4.646	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C/c3cccs3)n2)cc1OC	5008796	OPDBAQLJRXSEHG-MDWZMJQESA-N	354.456	4.953	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc2ccccc2c1	12362450	KXFQDJUSLHYBIZ-ZVHZXABRSA-N	372.403	4.523	50	50	FJGA	
Nc1ccc2nc(SSc3nc4ccc(N)cc4s3)sc2c1	5338208	JLBRMERPBBJFJF-UHFFFAOYSA-N	362.530	4.870	50	50	FJGA	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1	14922168	ZHHGZWXJFALDGG-JPRVSBAYSA-N	354.453	4.998	50	50	FJGA	
FC(F)(F)c1nc(-c2ccc3ccc(CBr)cc3c2)no1	44126747	RZWLSRHUNZSSRY-UHFFFAOYSA-N	357.129	4.804	50	50	FJGA	
CCCCC[C@H](/C=C/[C@H]1[C@@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O)OO	100014005	SGUKUZOVHSFKPH-RJSCSFJYSA-N	368.470	4.517	50	50	FJGA	in-vitro
Cc1cc(C)cc(C(=O)C(Br)C(=O)c2cc(C)cc(C)c2)c1	100698213	QCSMQDNGLZFESX-UHFFFAOYSA-N	359.263	4.749	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2CCCC[C@@]13CCC(=O)[C@H]3C(=O)CC2	257355304	ADPRPPLNHNZCIJ-MKNHVETJSA-N	350.575	4.895	50	50	FJGA	
CCC(=NNC(=O)[C@H](CC)Nc1ccc(Cl)cc1C)c1ccccc1	245241131	XOMKAZXHTUDJEK-SFHVURJKSA-N	357.885	4.769	50	50	FJGA	
C[C@@H]1C[C@@]23CC(=O)CC[C@@H](CCC2=C[C@H]1O)[C@@H]3O[Si](C)(C)C(C)(C)C	169829604	PZVSFGBNMDXBFH-FHTJZXIESA-N	364.602	4.853	50	50	FJGA	
N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@H]1c1ccccc1F	1157115	HNSMCWPWVRTPBJ-HNNXBMFYSA-N	372.852	4.751	50	50	FJGA	
CC(C)Cc1ccc([C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	4948459	XOVBLJXOAHXACI-STPJHCLOSA-N	374.484	4.998	50	50	FJGA	
COC(=O)CCCCCCC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O	169876640	NIOJULSEJPAEJV-INIZCTEOSA-N	354.563	4.790	50	50	FJGA	
COc1ccc(C2=C(C=O)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC	1216113	YWTUBBBAQQNYMW-QHCPKHFHSA-N	372.420	4.838	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC)n2)cc1	1191441	BEBLZIWYCRTQQM-NTCAYCPXSA-N	363.442	4.804	50	50	FJGA	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1	55009900	OKUJKLDWEHJHLP-XMHGGMMESA-N	371.440	4.648	50	50	FJGA	
CC(/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)=C\c1ccco1	8683322	POPNZZMVWVZWBW-KGIMAENPSA-N	370.412	4.642	50	50	FJGA	
Cc1cccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1	1197571	HDQNNNKKFOYSRI-MFKUBSTISA-N	368.436	4.831	50	50	FJGA	
O=C(Nc1ccc2c(c1)[C@H](Br)c1ccccc1-2)C(F)(F)F	1724468	YIHWFOHEOXDAIC-CYBMUJFWSA-N	356.141	4.652	50	50	FJGA	
CN(C)/C=N/C1=C(C#N)[C@@H](c2cccs2)c2ccc3ccccc3c2O1	100911497	OPJLBCKONXTIPI-QMFLXTPQSA-N	359.454	4.751	50	50	FJGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)cc1	5353779	VOORYCMEDCIPQE-OEAKJJBVSA-N	360.461	4.526	50	50	FJGA	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	17074675	DVDICVURYFXKGD-GDNBJRDFSA-N	362.820	4.584	50	50	FJGA	
C/C(=N\NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc(C)cc1	33340700	HFUVLCBEHNQUQV-XIEYBQDHSA-N	373.500	4.759	50	50	FJGA	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc2ccccc2c1	1170560	LIASBZRMDHLFKB-MTJSOVHGSA-N	357.457	4.679	50	50	FJGA	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(Cl)cc1	15723488	NBMBAIYOSRZNFR-WQLSENKSSA-N	350.727	4.904	50	50	FJGA	
Cn1cccc1/C(C#N)=C/c1ccc(-n2cc(C=O)c3ccccc32)cc1	4053182	QDUXANZLFBAZKL-QGOAFFKASA-N	351.409	4.846	50	50	FJGA	
O=C(c1ccccc1)[C@@H](Br)[C@H](Br)c1ccccc1	1641112	LYAGBKGGYRLVTR-KGLIPLIRSA-N	368.068	4.769	50	50	FJGA	
CC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@H]1c1ccccc1	752119	WTAUPHCOCZYJLR-OAQYLSRUSA-N	360.482	4.905	50	50	FJGA	
O=C(NCCCCBr)OCC1c2ccccc2-c2ccccc21	44784096	JARHDILDILQUOS-UHFFFAOYSA-N	374.278	4.700	50	50	FJGA	
CC/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1	4547894	NJOOULKZRVUOPK-WWCBRRATSA-N	368.480	4.923	50	50	FJGA	
CCCCOc1ccc(/C(CC)=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)cc1	17076052	PWIUDZHGVLHAPC-WNSCPLKPSA-N	371.308	4.680	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N/NC(=O)Nc3ccccc3)ccc21	4172032	YVZPLSXYHJTVGM-HZHRSRAPSA-N	356.429	4.970	50	50	FJGA	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc2c(c1)CCCC2	12343160	TXXXEXLKCKSFGS-KOEQRZSOSA-N	356.469	4.802	50	50	FJGA	
O=[N+]([O-])c1cccc([C@H](Cl)O[C@@H](Cl)c2cccc([N+](=O)[O-])c2)c1	2810066	ZDILKLOHOQDXNU-ZIAGYGMSSA-N	357.149	4.695	50	50	FJGA	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	2855110	FECNRUVNROMMFT-NTCAYCPXSA-N	373.368	4.709	50	50	FJGA	
N#C/C(=C/c1ccccc1F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	16513905	CJAIWZZZNBIIAK-ZROIWOOFSA-N	351.362	4.922	50	50	FJGA	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	22130570	XKFVSPIDFSNBGP-YHYXMXQVSA-N	367.619	4.898	50	50	FJGA	
COc1c(C)cc(P([C]2[CH][CH][CH][CH]2)c2cc(C)c(OC)c(C)c2)cc1C	100032601	GTEPCCAUVZBNIX-UHFFFAOYSA-N	365.433	4.733	50	50	FJGA	
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]12C	257356872	KUVKZKUBSUKKMO-ZENBKHFWSA-N	350.930	4.733	50	50	FJGA	
Cc1cc(C)n2nc(/C(C#N)=C/c3ccc(Cl)cc3Cl)c(C#N)c2n1	5212302	HKYIMEPQCPMFSD-AWNIVKPZSA-N	368.227	4.589	50	50	FJGA	
N#CC1=C(NC(=O)Cc2ccccc2)c2ccccc2CC12CCCCC2	752179	XMKBFDGJGDPTLV-UHFFFAOYSA-N	356.469	4.787	50	50	FJGA	
O=C(CCCNc1ccccc1)N/N=C/c1cccc(Oc2ccccc2)c1	2996077	HWAKXJKBAYHHBN-XIEYBQDHSA-N	373.456	4.821	50	50	FJGA	
ICCCc1ccc(OCc2ccccc2)cc1	74938101	WJFLKBOMFPHCGR-UHFFFAOYSA-N	352.215	4.633	50	50	FJGA	
BrCC[C@H]1[C@@H]2C=C[C@H]3[C@H]2[C@@H]2[C@@H]1C=C[C@@H]2[C@@H]3CCBr	254516423	VHKDZNONYGYYFB-RFMAHTBJSA-N	372.144	4.653	50	50	FJGA	
Cc1ccc(/C=N/NC(=O)c2sccc2OCc2ccc(F)cc2)cc1	1403582	XEKIUFWQTGGNHT-WSDLNYQXSA-N	368.433	4.539	50	50	FJGA	
CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19770455	PDNBVGHPHSDNCT-VGSWGCGISA-N	358.416	4.711	50	50	FJGA	
O=C1c2c(CBr)cccc2-c2cccc(CBr)c21	3132144	LFYPLMXUAXINMP-UHFFFAOYSA-N	366.052	4.688	50	50	FJGA	
Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4cccnc4)n3n2)cc1	1857798367	AUBRDNPHNUIVSG-UHFFFAOYSA-N	370.243	4.638	50	50	FJGA	
CC(C)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1	4322795	JSLZGOPWQNELJQ-LDADJPATSA-N	353.429	4.514	50	50	FJGA	
COc1ccc(-c2cc(C(=O)Cl)c3cccc(Cl)c3n2)cc1OC	6247647	OKKPBGFRIBKNAC-UHFFFAOYSA-N	362.212	4.951	50	50	FJGA	
N#CC1=C(c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)NC(=O)CC1	1402641	KHONCWNHWBRUPV-UHFFFAOYSA-N	358.319	4.642	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc3c(c2)COC3=O)o1)c1nc2ccccc2[nH]1	4067169	UIDOAMMBSMTHPI-GXDHUFHOSA-N	367.364	4.557	50	50	FJGA	
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)CSC#N	2318078	KTBIMUONNCPNPU-NRFANRHFSA-N	350.487	4.722	50	50	FJGA	
COc1ccc2ccccc2c1/C=C(\C#N)c1nc(O)c2ccccc2n1	3947295	DLAJASWFTDOTBR-NTCAYCPXSA-N	353.381	4.561	50	50	FJGA	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1C1CCCCC1	1177718	VHCQKPORPMMGPY-IBGZPJMESA-N	370.456	4.980	50	50	FJGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccc(Cl)c1	2573234	BZPPVKZFESRQTH-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
COC(=O)CCC/C=C\CC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O	169982784	KMZNNYCERSPGGM-DZFYGRHCSA-N	352.547	4.566	50	50	FJGA	
CCc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2csc3ccccc23)cc1	13321832	PGLQPRKQIIOVDV-FSJBWODESA-N	374.469	4.618	50	50	FJGA	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(C(=O)O)cc1	2887934	FBXIFNIVMOPRBZ-WJDWOHSUSA-N	360.325	4.617	50	50	FJGA	
O=C(N/N=C/C=C/c1ccccc1)[C@H]1CC1(c1ccccc1)c1ccccc1	4976229	KISNQLLWPPTQMN-BCWABTKWSA-N	366.464	4.808	50	50	FJGA	
COc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)cc3C)nc2c1	5028264	AOYRRBUHCTZQQC-AQTBWJFISA-N	372.472	4.934	50	50	FJGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccccc1Cl	753117	ODOXBXUEZFILKR-OAHLLOKOSA-N	354.862	4.612	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1Br	3155638	SQICUKYVIOVTAD-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
C/C(=N/NC(=O)c1sc2cc(F)ccc2c1Cl)c1cccs1	4975599	XJAHVQDGJJREIY-LSCVHKIXSA-N	352.843	4.909	50	50	FJGA	
CC1=C(C#N)[C@H](c2ccc(Cl)nc2Cl)C2=C(CC(C)(C)CC2=O)N1	25695259	YJAOJGDJIHISFX-HNNXBMFYSA-N	362.260	4.516	50	50	FJGA	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc2nc[nH]c2c1	2252359	QUTCKWQJLBKDQN-LGJNPRDNSA-N	364.408	4.633	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(C(=O)O)cc1	2884691	AMUBHORGVSHAOX-RVDMUPIBSA-N	360.325	4.617	50	50	FJGA	
Cc1ccccc1[C@H]1CC(=O)NC(SCc2ccc(Cl)cc2)=C1C#N	9324608	JGLJQNYEVPQPKD-QGZVFWFLSA-N	368.889	4.921	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC3=COC(=O)CC[C@]31C[C@H]1O[C@@H]1C2	169829698	MMPJTBVUGCNJGF-RBCKAKMKSA-N	364.558	4.555	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc3ccccc3c2)n[nH]1	1190257	YGQACZRQTHXWFC-YDZHTSKRSA-N	374.831	4.647	50	50	FJGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)C12CC3C[C@H](CC[C@@H](C3)C1)C2	100474990	BEMNLKXTXOELGW-WSJVDZFBSA-N	362.473	4.602	50	50	FJGA	
Cc1ccc(C(=O)O/N=C2/C[C@H]3CC[C@@]2(C)[C@]3(C)CBr)cc1	251466519	IVRFJQZRXBWLSP-UOPRIBNJSA-N	364.283	4.729	50	50	FJGA	
CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	18037288	BHMMHAMGYBMOKV-MRXNPFEDSA-N	358.894	4.768	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3)n2)cc1	100564953	NLGMVXFOYXAZHN-KAMYIIQDSA-N	351.406	4.934	50	50	FJGA	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2)c1C	1090984	CQXNFUBDKFJTNL-XSFVSMFZSA-N	355.441	4.948	50	50	FJGA	
Cc1cccc(CO[Si](C)(C)C(C)(C)C)c1B1OC(C)(C)C(C)(C)O1	224683123	VEIGUEHPXGIYST-UHFFFAOYSA-N	362.395	4.816	50	50	FJGA	
N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@@H]1c1ccccc1F	1172072	ADAXECFTHFDKIY-CQSZACIVSA-N	372.852	4.751	50	50	FJGA	
O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccccc2)nc2ccccc12	5030848	AVWWLZYIXGSKTF-MFKUBSTISA-N	369.399	4.805	50	50	FJGA	
CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC	5042851	KOJMWNUOJNZPHN-GZTJUZNOSA-N	353.418	4.565	50	50	FJGA	
C=CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(C#N)cc1	12343901	DYSNXWTWJXQWKQ-YVLHZVERSA-N	365.230	4.950	50	50	FJGA	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(-c2ccccc2)cc1	14922165	ZHHGZWXJFALDGG-WOMORPIMSA-N	354.453	4.998	50	50	FJGA	
COC(=O)CCCCCCC1=C[C@@H](O[Si](C)(C)C(C)(C)C)CC1=O	169982787	NIOJULSEJPAEJV-MRXNPFEDSA-N	354.563	4.790	50	50	FJGA	
O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)C(Cl)Cl	1171021	TXDHAGPGPRUTHC-UHFFFAOYSA-N	370.088	4.783	50	50	FJGA	
N#CC1=C(N)N(c2ccccc2)c2cc(O)ccc2[C@@H]1c1ccccc1F	1423151	BQKRQLJWCDVZDS-NRFANRHFSA-N	357.388	4.509	50	50	FJGA	
Cc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	4366306	OWYXMEIMEBSUTK-MRSJDWDVSA-N	358.441	4.580	50	50	FJGA	
O=C(CCl)N[C@H](c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	1875384734	VSSMCSXAPDZWRV-HNNXBMFYSA-N	362.178	4.803	50	50	FJGA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	35653633	GKQFRIUVRULIAF-KTMXNEEYSA-N	371.651	4.564	50	50	FJGA	
c1ccc([P+](Cc2ccccn2)(c2ccccc2)c2ccccc2)cc1	60272769	KAYCSCULGYYNFT-UHFFFAOYSA-N	354.413	4.576	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2ccccc2[nH]1	4953624	AHBIRSCEARQARK-RVDMUPIBSA-N	355.353	4.585	50	50	FJGA	
COc1cccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1	5008794	KOPLNJQPKLGQRI-OVCLIPMQSA-N	363.398	4.791	50	50	FJGA	
CC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	627411	DLXXBODKVIQQSQ-HSZRJFAPSA-N	370.452	4.757	50	50	FJGA	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2O)c1	1180254	IQQUGOLXILGMSF-AWNIVKPZSA-N	361.228	4.862	50	50	FJGA	
CC(C)(C)[C@@H]1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1	103623694	DSONROREXIWMGN-QFIPXVFZSA-N	374.444	4.696	50	50	FJGA	
CC(C)(C)C1CCC(=NNC(=O)COc2cccc3ccccc23)CC1	4372799	AJRKXNJCRMYZCL-UHFFFAOYSA-N	352.478	4.927	50	50	FJGA	
COc1ccc(/C(C)=N\NC(=O)c2ccc(-c3ccccc3)cc2)c(OC)c1	12342897	YYTVLHRBHSYYSM-JLPGSUDCSA-N	374.440	4.525	50	50	FJGA	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCC	16474581	LRJUOTUMRBWBDY-SXGWCWSVSA-N	371.820	4.900	50	50	FJGA	
C=C(C)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)CC(=O)N1	708576	OYBDRJJDPCMXMK-LBPRGKRZSA-N	353.274	4.641	50	50	FJGA	
O=C(c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccccc1	1641111	LYAGBKGGYRLVTR-KBPBESRZSA-N	368.068	4.769	50	50	FJGA	
O=C(Oc1ccc([N+](=O)[O-])c2cccnc12)c1ccc(Cl)cc1Cl	1435813	YKPUGYXWOBGQLL-UHFFFAOYSA-N	363.156	4.669	50	50	FJGA	
COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2C(=O)CC(C)(C)C3)cc1	4751892	UXFGEPJVFNEQBQ-FQEVSTJZSA-N	374.440	4.646	50	50	FJGA	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(Br)c1	1064941	BFIDPUOMVKOKNZ-UHFFFAOYSA-N	371.278	4.893	50	50	FJGA	
Cc1ccsc1/C=N/NC(=O)c1sccc1OCc1ccc(F)cc1	1403584	GKDXBLLDCMXAKD-KEBDBYFISA-N	374.462	4.600	50	50	FJGA	
CC1=C(C#N)[C@@H](c2c(Cl)cncc2Cl)C2=C(CC(C)(C)CC2=O)N1	25695032	QWMICVPDLUVPPU-HNNXBMFYSA-N	362.260	4.516	50	50	FJGA	
CC(C)[C@H]1COC(C2=CCC[C@H]2P(c2ccccc2)c2ccccc2)=N1	1857523925	OGUWGOGPZSKWLC-FGZHOGPDSA-N	363.441	4.661	50	50	FJGA	
CC/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1Cl	17075538	HUQCGFUNEROHGH-OTGIAGGSSA-N	368.091	4.808	50	50	FJGA	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@H]1c1cccnc1	217975219	QXDORHPZRXXIRR-SJORKVTESA-N	350.553	4.849	50	50	FJGA	biogenic
Cc1ccc(/C=N/NC(=O)CCn2c3ccccc3c3ccccc32)cc1	1248810	GZYBUUTUOVZJLQ-LFVJCYFKSA-N	355.441	4.643	50	50	FJGA	
O=C(Nc1ccccc1OC(F)(F)[C@@H](F)Cl)NC1CCCCC1	4990163	BDSFDBYQGIVUCB-CYBMUJFWSA-N	350.768	4.647	50	50	FJGA	
CC(C)(C)c1ccc(OC(=O)N/N=C/c2cccc(OC(F)F)c2)cc1	5496795	HHCZSSHTLZWPRB-WSDLNYQXSA-N	362.376	4.708	50	50	FJGA	
C=C(C(=O)OC)[C@@H](C)[C@H](O)[C@H](O[Si](C)(C)C(C)(C)C)C1CCCCC1	169834684	YRQGYYFGGXHLLC-FHLIZLRMSA-N	370.606	4.683	50	50	FJGA	
Cc1ccnc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1	6456647	KMXLTORGCAXPOA-UNOMPAQXSA-N	358.401	4.770	50	50	FJGA	
CSc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	15745755	GRFGGHDLSJBEJB-LCYFTJDESA-N	373.275	4.717	50	50	FJGA	
CC1(C)OB(c2cc(O[Si](C)(C)C(C)(C)C)cc(F)c2F)OC1(C)C	169904526	SYSZKZKYIDNJBD-UHFFFAOYSA-N	370.321	4.648	50	50	FJGA	
Cc1nc2ccc(Cl)cn2c1C(=O)NN=C1CCC(C(C)(C)C)CC1	853096	OTFDLIALVZPUTC-UHFFFAOYSA-N	360.889	4.618	50	50	FJGA	
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)CSC#N	2318077	KTBIMUONNCPNPU-OAQYLSRUSA-N	350.487	4.722	50	50	FJGA	
COc1cc(OC)c(/C=C(/C#N)c2ccc(F)cc2)cc1Br	16393471	RJTGFFKJYZFURC-QPEQYQDCSA-N	362.198	4.670	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N/NC(=O)Cc3cccs3)ccc21	863851	ORNFIDBYIIAXCX-HYARGMPZSA-N	361.470	4.569	50	50	FJGA	
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C	257356871	KUVKZKUBSUKKMO-WQLGSRDQSA-N	350.930	4.733	50	50	FJGA	
C/C(=N\NC(=O)c1c(-c2ccccc2)noc1C)c1cc2ccccc2o1	5697048	VJNWBHVYQMYUPY-LPYMAVHISA-N	359.385	4.550	50	50	FJGA	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(N)cc2)cc(C(C)(C)C)c1	2924758	BXSQCWDPVVQCKE-ZVHZXABRSA-N	351.494	4.628	50	50	FJGA	
Cc1ccnc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)c1	2866116	RGDLUJNSCCSSII-ODLFYWEKSA-N	358.401	4.770	50	50	FJGA	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)o1	12393000	RYEPDVMNRVSNSW-WJDWOHSUSA-N	374.352	4.926	50	50	FJGA	
CCCC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccccc1	4953933	DZHSGUKPFGMGTJ-LVZFUZTISA-N	359.267	4.773	50	50	FJGA	
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CCl)c1	224680742	BTQUEFMXWXKWOG-UHFFFAOYSA-N	366.910	4.523	50	50	FJGA	
CCCC/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1	17074459	GKIQKUXTVNXGOL-OOWUWCJESA-N	361.700	4.934	50	50	FJGA	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	214113456	ROXYPCXSQHIDTD-GXDHUFHOSA-N	371.223	4.551	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC(O)=C3C(=O)CC[C@]31C[C@@H]1O[C@H]1C2	257357288	NBPXGSKZCWZLSA-WRJTZECCSA-N	364.558	4.509	50	50	FJGA	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1	2894289	MALROOWDXYSZPZ-UDWIEESQSA-N	359.267	4.511	50	50	FJGA	
CSC1=C(C#N)C2(CCCCC2)C(C(=O)Nc2ccccc2)=C(C)N1	755503	IECFNDDWRKQMGC-UHFFFAOYSA-N	353.491	4.551	50	50	FJGA	
O=C(CBr)C(c1ccccc1)(c1ccccc1)c1ccccc1	4823919	CMJKHAMHSNZOIW-UHFFFAOYSA-N	365.270	4.985	50	50	FJGA	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(-c2ccccc2)cc1	13982041	PVCBNWXXOPKANK-NBBKNAHHSA-N	370.452	4.938	50	50	FJGA	
CC(C)n1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc21	1118923	GQOIQWWORKRXFQ-LDADJPATSA-N	350.443	4.561	50	50	FJGA	
COc1ccc(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c(OC)c1	2281922	GESACKUPOVBDFG-QINSGFPZSA-N	363.442	4.804	50	50	FJGA	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1sc2cc(F)ccc2c1Cl	101075760	ZKHXUDQKAWVSBL-UKDQKFGXSA-N	350.846	4.846	50	50	FJGA	
FC(F)(F)c1cnc(C(Br)Br)c(Cl)c1	169799251	SQINVZVCOAFRDG-UHFFFAOYSA-N	353.363	4.542	50	50	FJGA	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](C(=O)CCl)CC[C@H]12	257346974	JXGFGNDGQLRGPL-PPUWAGDWSA-N	352.946	4.814	50	50	FJGA	
CC(=C/c1ccccc1)/C=N/NC(=O)[C@@H](C)Oc1ccc2ccccc2c1	43334145	ONDFNMVJIKNHOV-QGLKEMNOSA-N	358.441	4.813	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC3=COC(=O)CC[C@]31C[C@@H]1O[C@H]1C2	257357176	MMPJTBVUGCNJGF-KZTUBPIMSA-N	364.558	4.555	50	50	FJGA	
CCc1ccc(/C(C)=N/NC(=O)c2ccc(OC3CCCC3)cc2)cc1	4651837	LSOZTHKWSZUWKA-XQNSMLJCSA-N	350.462	4.724	50	50	FJGA	
CC(/C=C/C=C/c1ccccc1)=N/NC(=O)c1ccc(Br)cc1	4702480	ZTVQYPLUJFIFDR-DWJXPLMOSA-N	369.262	4.824	50	50	FJGA	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1	5028050	BHJWCSADGZCOKI-AQTBWJFISA-N	372.472	4.934	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)c1	799751366	NFCLSHPWTXHLPW-UHFFFAOYSA-N	374.149	4.641	50	50	FJGA	
N#C/C(=C/c1ccc(I)o1)c1ccc(Cl)cc1	4504387	JHAYBLRMEUCQGG-YFHOEESVSA-N	355.562	4.602	50	50	FJGA	
N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	622697	WJKDSPTXYMWHQB-OAHLLOKOSA-N	374.252	4.797	50	50	FJGA	
N#CC1=C(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)CCC1	4954696	GZQUZZSJYQMGKB-UHFFFAOYSA-N	352.821	4.610	50	50	FJGA	
C=CCn1cc(/C=C(/C#N)c2nc3cc(OC)ccc3[nH]2)c2ccccc21	5028297	GWKUFQALGHLOPA-PTNGSMBKSA-N	354.413	4.776	50	50	FJGA	
BrCC[C@H]1[C@@H]2C=C[C@@H]3[C@@H](CCBr)[C@@H]4C=C[C@H]1[C@H]4[C@@H]23	254516416	VHKDZNONYGYYFB-FIJUGYKASA-N	372.144	4.653	50	50	FJGA	
O=C(Cc1cccc2ccccc12)OC(=O)Cc1cccc2ccccc12	100651428	ACONQQKANQRXQN-UHFFFAOYSA-N	354.405	4.848	50	50	FJGA	
CCCCCCCCCC(=O)N/N=C/c1cc(Br)ccc1O	102301135	GAQJPHBRRMAAKC-CPNJWEJPSA-N	369.303	4.746	50	50	FJGA	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)C1CCCCC1	2391551	CSYDJKBGQRZINO-OEAKJJBVSA-N	370.880	4.949	50	50	FJGA	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)s1	17072668	VXMHCHKEMNYSRW-DHZHZOJOSA-N	350.365	4.875	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1Cl	5317597	COUTVRFUXRITTF-SRZZPIQSSA-N	373.243	4.538	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2cc(Cl)ccc2Cl)c(C(F)(F)F)c1	799749674	YDPZAKMTRSYNLR-UHFFFAOYSA-N	374.149	4.641	50	50	FJGA	
CC1=C(C#N)C(c2cccc(OCc3ccc(F)cc3)c2)C(C#N)=C(C)N1	25694970	JHWZDHXRTVLNCD-UHFFFAOYSA-N	359.404	4.687	50	50	FJGA	
O=C(CSc1ccc2ccccc2n1)N/N=C/c1cccc2ccccc12	2166589	KLVWDVKOMHWTHX-OEAKJJBVSA-N	371.465	4.630	50	50	FJGA	
CCCCCCCCCCCC(=O)N/N=C/c1cc2ccccc2[nH]c1=O	102292655	PDXAMABUQTVUJJ-HAVVHWLPSA-N	369.509	4.899	50	50	FJGA	
Clc1cc(Br)cc(C(Br)Br)c1	261494307	UPNSDOWELMBZLC-UHFFFAOYSA-N	363.274	4.891	50	50	FJGA	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cccc(Cl)c1	1807010	CQQUCDATBCBANU-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
COC(=O)/C(C#N)=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1	4529364	LOFNSZJVGUGCMJ-TWGQIWQCSA-N	355.699	4.699	50	50	FJGA	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3)n2)c1	100590428	MEILQHZGZDQIKU-KAMYIIQDSA-N	351.406	4.934	50	50	FJGA	
COc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br	1213402	XRCVEZDELCMUHS-RIYZIHGNSA-N	374.234	4.539	50	50	FJGA	
O=C(N/N=C/C=C/c1ccccc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	3001433	KISNQLLWPPTQMN-PWMUJQFMSA-N	366.464	4.808	50	50	FJGA	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)cc1	1142502	MBRHWDNULYYLCN-LGMDPLHJSA-N	358.363	4.606	50	50	FJGA	
C[C@H]1C[C@@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccc(F)cc3)nn12	1857800572	GHCHRPKDFFDBOP-KWQFWETISA-N	351.212	4.530	50	50	FJGA	
CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O	169794842	JVPOCCACFOBDEV-BZUAXINKSA-N	374.670	4.672	50	50	FJGA	
Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1B1OC(C)(C)C(C)(C)O1	201067978	MRMRYJGLIBKXFT-UHFFFAOYSA-N	362.395	4.987	50	50	FJGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccccc2)cc1	2820928	OTCCNDQQGXFBOH-NRFANRHFSA-N	370.452	4.804	50	50	FJGA	
CCCCOc1ccc(C(=O)OC[C@@H](Cl)C(Cl)(Cl)Cl)cc1	6592605	FVZABOVVYCSQRG-GFCCVEGCSA-N	374.091	5.000	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc(C)cc1	9110072	FGJKREUXADVEJC-LFVJCYFKSA-N	368.440	4.692	50	50	FJGA	
CC(=NNC(=O)[C@H](C)Nc1ccc(C)cc1C)c1ccc2ccccc2c1	245238834	BMMYNRHXEQMYQK-SFHVURJKSA-N	359.473	4.797	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccco1	4543031	IODMJVUVCCNMTM-XNTDXEJSSA-N	359.790	4.531	50	50	FJGA	
Cc1c(Cl)ccc2c(C(=O)Cl)cc(-c3ccc4c(c3)OCO4)nc12	6254502	RMUXKQCTXWKWRW-UHFFFAOYSA-N	360.196	4.971	50	50	FJGA	
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@]2(C)CCC[C@H]12	257349751	QWGULHWDLZYDCS-MWZXCWOKSA-N	367.327	4.541	50	50	FJGA	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccco2)cc(C(C)(C)C)c1O	1187491	DGIKCHMUOFBJPO-OEAKJJBVSA-N	370.493	4.663	50	50	FJGA	
C1=CC(=NN=P(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1	73373166	HJAJSXPYCWUMII-UHFFFAOYSA-N	354.393	4.646	50	50	FJGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)c(Cl)c2)[C@H]2CCCC=C12	1228274	RPJCHGSFHZNJLG-GUYCJALGSA-N	369.255	4.587	50	50	FJGA	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1	1468523	BFWIDHSEGIDNRR-LFVJCYFKSA-N	366.424	4.508	50	50	FJGA	
CCOC(=O)c1c(NC(=O)CCl)sc(Cl)c1-c1ccc(C)cc1	846609	XAVVYBHSXRJLIY-UHFFFAOYSA-N	372.273	4.731	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2ccc(Cl)cc2Cl)c(C(F)(F)F)c1	799747232	SZUIGANYONYSNJ-UHFFFAOYSA-N	374.149	4.641	50	50	FJGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1	2379694	TXHDZLSZLROKKY-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
O=P(CCc1nc2ccccc2s1)(c1ccccc1)c1ccccc1	98007315	RDVRNBWNKPIASF-UHFFFAOYSA-N	363.422	4.853	50	50	FJGA	
O=C(NNc1nc2ccccc2nc1-c1ccccc1)c1cccc(Cl)c1	225478273	XWHVZSGEAYZXHU-UHFFFAOYSA-N	374.831	4.707	50	50	FJGA	
CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1	5444184	NQKNDSWHJWTKQG-KEBDBYFISA-N	372.881	4.679	50	50	FJGA	
O=C(N/N=C/[C@H]1C[C@@H]2C[C@H](C(F)(F)F)[C@@H]1C2)c1cccc2ccccc12	252320624	GOTBAYUOSRIHTK-RXTLEXRMSA-N	360.379	4.780	50	50	FJGA	
Cc1ccccc1NC(=O)c1cc2ccccc2cc1OC(=O)CCl	2584383	FMVKYSCWHDVMGO-UHFFFAOYSA-N	353.805	4.545	50	50	FJGA	in-vitro
O=C(N/N=C/c1ccc(F)c(F)c1)c1cc2c(s1)-c1ccccc1CC2	5776010	IOHZDORJRGUQQZ-FOKLQQMPSA-N	368.408	4.556	50	50	FJGA	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc(-c2cccs2)n[nH]1	5318947	HCINOAHPBJTLGI-HYARGMPZSA-N	372.453	4.569	50	50	FJGA	
O=C(N/N=C\c1cccc(Cl)c1)[C@H]1CC1(c1ccccc1)c1ccccc1	32650092	SWGJWPLGXPEQLJ-FFAHCDIZSA-N	374.871	4.796	50	50	FJGA	
N#C/C(=C\c1cccc(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	5008823	XDIJLZCKOJNWTB-MKMNVTDBSA-N	350.374	4.742	50	50	FJGA	
C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccc2ccccc2c1	17073297	YHSFFKVKMZSDJK-BUVRLJJBSA-N	354.409	4.853	50	50	FJGA	
COC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1CBr	200811766	YOPIDFXZGOIPLC-UHFFFAOYSA-N	359.336	4.752	50	50	FJGA	in-vitro
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1C1CCCCC1	1177717	VHCQKPORPMMGPY-LJQANCHMSA-N	370.456	4.980	50	50	FJGA	
CC1(C)OB(c2cc(O[Si](C)(C)C(C)(C)C)ccc2F)OC1(C)C	242723090	YDRHMPLHUOOFMU-UHFFFAOYSA-N	352.331	4.509	50	50	FJGA	
CC1=C(C#N)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19770431	ALMDTKBMNJNMJU-VGSWGCGISA-N	358.416	4.711	50	50	FJGA	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1C(=O)O	4599056	ASJWIULMVYVQQL-XNTDXEJSSA-N	369.380	4.894	50	50	FJGA	
CC(/C=C/C=C/c1ccccc1)=N/NC(=O)COc1ccc2ccccc2c1	4964337	HLBAGRSKCSJRLJ-IYAIQGCZSA-N	370.452	4.980	50	50	FJGA	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	2669676	FFSXMKQPWJREIE-LQELWAHVSA-N	374.234	4.958	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(OC)cc3)ccc21	668335	QVRUWKQSUJNOPC-BUVRLJJBSA-N	371.440	4.587	50	50	FJGA	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc([N+](=O)[O-])c1	1187346	PKPSCPFANOSOEV-OEAKJJBVSA-N	369.380	4.665	50	50	FJGA	
CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	783180	BHMMHAMGYBMOKV-INIZCTEOSA-N	358.894	4.768	50	50	FJGA	
CCCC/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(Cl)cc1	17074460	GKIQKUXTVNXGOL-NPRIEWAGSA-N	361.700	4.934	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2CCC(=O)C[C@@]13CC[C@H](O)C=C3CC2	169829692	LVULAKOIKJUWQX-VKSDOSABSA-N	350.575	4.607	50	50	FJGA	
N#C/C(=C(/O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc2ccccc2s1	100608290	KATNKWWNYYKIKF-GDNBJRDFSA-N	357.778	4.808	50	50	FJGA	
CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@]2(C)C(=O)C[C@H]1C[C@H]2O	169833212	NPKMMTRFFBYCBU-ISIBIEBGSA-N	354.607	4.647	50	50	FJGA	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/C1CCCCC1	5010268	ZSUHDPZJKHLRFQ-UDWIEESQSA-N	357.281	4.835	50	50	FJGA	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(F)c1	4739844	WWJAWWOQLPXLSE-YBEGLDIGSA-N	361.332	4.985	50	50	FJGA	
N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@@H]1c1cccs1	8973254	OSRULJZCMUXOTP-LBPRGKRZSA-N	360.891	4.674	50	50	FJGA	
C/C(=N/NC(=O)c1cccc(Br)c1)c1ccc2ccccc2c1	833001	NVTRSPWSWINECV-BKUYFWCQSA-N	367.246	4.756	50	50	FJGA	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2ccccc2)cc1	753416	POGQHPULNNAEIJ-HSZRJFAPSA-N	367.452	4.638	50	50	FJGA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CCl	257346973	JXGFGNDGQLRGPL-CJROLLESSA-N	352.946	4.814	50	50	FJGA	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1c(Cl)cccc1Cl	1228188	MAGLLDGHDYPVRE-FOKLQQMPSA-N	372.255	4.709	50	50	FJGA	
COc1cc(-c2csc(/C(C#N)=C/Nc3cccc(F)c3)n2)ccc1O	5008821	QRFWMZFITUMNID-JLHYYAGUSA-N	367.405	4.640	50	50	FJGA	
C/C(=N\NC(=O)COc1ccc2ccccc2c1)c1ccc(C(C)C)cc1	34132306	RMCGJWDIUQUKMS-JJIBRWJFSA-N	360.457	4.882	50	50	FJGA	
C/C=C/CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	17888361	FUSVUVZGSYWPAR-SHCNBLLESA-N	358.894	4.934	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N\NC(=O)C3[C@@H]4CCCC[C@@H]34)ccc21	100311264	KYKWAIMTMJRAFT-XKGUAFHJSA-N	359.473	4.701	50	50	FJGA	
CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2cccc(N3CCCC3)n2)C1	169794152	XHCUJXRZIPZOMD-KRWDZBQOSA-N	361.606	4.530	50	50	FJGA	in-vitro
COc1ccc(OC)c(-c2cc(C(=O)Cl)c3ccc(C)c(C)c3n2)c1	40457216	QSBRQHMEIMKXBS-UHFFFAOYSA-N	355.821	4.915	50	50	FJGA	
COc1ccc2cc([C@H]3C(C#N)=C(C)NC4=C3C(=O)CC(C)(C)C4)ccc2c1	627178	WEKXPDKPYDYKDI-QFIPXVFZSA-N	372.468	4.976	50	50	FJGA	
CC1=C(C#N)C(c2ccc(OCc3ccc(C)cc3)cc2)C(C#N)=C(C)N1	627295	NSBJVFMLRSCODN-UHFFFAOYSA-N	355.441	4.856	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nc(O)c2ccccc2n1	4426934	VUIVIGADGLPWKM-ACCUITESSA-N	357.344	4.799	50	50	FJGA	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Cl)c(C)c1	4964353	DAYCTNLZUMHTGH-QBLDURCPSA-N	368.864	4.789	50	50	FJGA	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1	2894499	OEMNMJLWBUHBPF-XQNSMLJCSA-N	352.478	4.927	50	50	FJGA	
CCc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2csc(C(C)C)c2)cc1	17075300	SZWBELYZEVUNRF-SSDVNMTOSA-N	366.490	4.588	50	50	FJGA	
O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	1229809	CZIPHKWZUGABAW-ZMOGYAJESA-N	372.346	4.658	50	50	FJGA	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)cc1	1189635	WQRRGTULMAIZJJ-RGEXLXHISA-N	371.440	4.648	50	50	FJGA	
C#CCC[C@H]1C=CC[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	169833784	SJKRLEVWBMQXFX-XUZZJYLKSA-N	374.600	4.921	50	50	FJGA	
COC(=O)[C@]12C(=O)C=CC(C)(C)[C@H]1CCC[C@@H]2O[Si](C)(C)C(C)(C)C	169835215	HBVRSUBDVOJDEP-IIMJZQEZSA-N	366.574	4.501	50	50	FJGA	
COc1ccc(-c2nn3c(-c4ccccc4)cc(C)nc3c2SC#N)cc1	2325809685	XKSCMUNKBGEMDQ-UHFFFAOYSA-N	372.453	4.954	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1cccc2ccccc12	1468395	HXTWCJGUURZHOX-LFVJCYFKSA-N	368.440	4.692	50	50	FJGA	
CS(=O)(=O)c1ccc(/C(CCl)=C(/CCl)c2ccc(F)cc2)cc1	137923526	CSGMUAJNGVMMMB-MSUUIHNZSA-N	373.276	4.618	50	50	FJGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1	4210306	AXOHMJDGXSUIGY-LPYMAVHISA-N	351.837	4.511	50	50	FJGA	
COc1ccc(C(=O)NN=Cc2c3ccccc3cc3ccccc23)cc1	254507815	MMOJCSCSBZPMQB-UHFFFAOYSA-N	354.409	4.766	50	50	FJGA	
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCl)CC[C@@]43C)[C@H]1CCC2=O	254307660	MANUVJFOTKRZRU-YBCKDWFCSA-N	364.913	4.669	50	50	FJGA	
Cc1cc(C(=O)NN=C2c3ccccc3-c3ccccc32)c2ccccc2n1	3226254	OSSPYLKKODLMJD-UHFFFAOYSA-N	363.420	4.706	50	50	FJGA	
O=C(CCl)c1ccc2c(c1)C(F)(F)c1cc(Br)ccc1-2	141372134	KHQZXVZXRCFXSC-UHFFFAOYSA-N	357.581	4.991	50	50	FJGA	in-vitro
Cc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	4366305	OWYXMEIMEBSUTK-WCIBBKAISA-N	358.441	4.580	50	50	FJGA	
COc1ccc(C2=C(C=O)[C@H](c3ccccc3)c3ccccc3O2)cc1OC	1216115	YWTUBBBAQQNYMW-HSZRJFAPSA-N	372.420	4.838	50	50	FJGA	
CCCCCCCCCCCCNC(=S)NNC(=O)c1ccccc1	100813523	KZKPCKYLJUCIMF-UHFFFAOYSA-N	363.571	4.716	50	50	FJGA	
CCCCCCCCCCCC(=O)NNC(=S)NCc1ccccc1	100815696	NEOIHUXRAQNJOJ-UHFFFAOYSA-N	363.571	4.603	50	50	FJGA	
COc1cc(/C=C(\C#N)c2cccc(C)c2)cc(Br)c1OC	4840474	WGHKLUVFWDBXQC-OVCLIPMQSA-N	358.235	4.839	50	50	FJGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3cccc4ccccc34)n[nH]2)cc1	1468529	UIYVRUDHBUVFGU-BUVRLJJBSA-N	368.440	4.556	50	50	FJGA	
N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@@H]1c1ccc(F)cc1	9331287	NSQUHRAMWIFWSB-OAHLLOKOSA-N	372.852	4.751	50	50	FJGA	
COc1ccc(-c2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)o2)cc1Cl	25694966	UUHSNINOXAYULN-UHFFFAOYSA-N	365.820	4.891	50	50	FJGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2cccc(N3CCCC3)n2)C1	169794151	XHCUJXRZIPZOMD-QGZVFWFLSA-N	361.606	4.530	50	50	FJGA	in-vitro
N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	2298444	MWMCORVLMKOYGG-UKTHLTGXSA-N	365.389	4.654	50	50	FJGA	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2)cc1	4283540	NOZPEAMGRYCWPO-BUVRLJJBSA-N	358.441	4.646	50	50	FJGA	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1nccs1	17073541	QDRSOZMPACDUKX-LUAWRHEFSA-N	355.806	4.602	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC(=O)C[C@@]13CC[C@H](O)C=C3CC2	169829691	LVULAKOIKJUWQX-IHMNZUQTSA-N	350.575	4.607	50	50	FJGA	
CCc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)s1	6958860	VFDNVTKGUBQGNB-GXDHUFHOSA-N	365.483	4.980	50	50	FJGA	
O=C(Cc1cccc2c1CCCC2)N/N=C\c1ccc(Cl)c(Cl)c1	43761192	UBFSTZPFFZEOFC-UUYOSTAYSA-N	361.272	4.565	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2C=C[C@H]3[C@H](CCC=O)C(=O)C[C@H]3[C@@H]2C1	169834849	JLVNOJAUCJEBQV-RCFCFVIZSA-N	362.586	4.773	50	50	FJGA	
O=C(NNc1nc(-c2ccccc2)c2ccc(Cl)cc2n1)c1ccccc1	242263350	XYHFESGFLCTVOS-UHFFFAOYSA-N	374.831	4.707	50	50	FJGA	
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C#N)[C@H]2c1ccccc1	713352	XINMPGIIQPVXES-OAQYLSRUSA-N	369.468	4.627	50	50	FJGA	
COc1ccc(C2=C(C=O)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1	721604	UOLZVHAGXPFTHI-JOCHJYFZSA-N	360.384	4.969	50	50	FJGA	
CN1[C@H]2CC[C@H]1CC(O[C@H]1c3ccccc3C=C(C#N)c3ccccc31)C2	252496324	PGRLNKAXBMBIOK-JXQFQVJHSA-N	356.469	4.795	50	50	FJGA	
CCO[Si](OCC)(c1cccc2ccccc12)c1cccc2ccccc12	169818650	SGXNQRUIKNITME-UHFFFAOYSA-N	372.540	4.622	50	50	FJGA	
CC(C)(C)[Si](OC1CCC(C#N)CC1)(c1ccccc1)c1ccccc1	169746020	FAXMLJQZLHERED-UHFFFAOYSA-N	363.577	4.645	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3C)ccc21	668283	NYLXNQHCXNOBQX-BUVRLJJBSA-N	355.441	4.887	50	50	FJGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(Cl)c(Cl)c1	1229482	MNZYCLYYZIETFX-UFFVCSGVSA-N	359.212	4.616	50	50	FJGA	
CN(C)/C=N/C1=C(C#N)[C@H](c2cccs2)c2ccc3ccccc3c2O1	100911496	OPJLBCKONXTIPI-QNDYCBLQSA-N	359.454	4.751	50	50	FJGA	
Cc1ccc(NC(=O)OC(=O)COc2ccc(Cl)cc2Cl)c(C)c1	101019146	LVSUWXMIDUKCFZ-UHFFFAOYSA-N	368.216	4.764	50	50	FJGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(Cl)cc(Cl)c1	13321967	MDGJTPVBCBVCRN-UFFVCSGVSA-N	359.212	4.616	50	50	FJGA	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1sc2cc(F)ccc2c1Cl	101075762	ZKHXUDQKAWVSBL-XHHZEXJWSA-N	350.846	4.846	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC3=COC(=O)CC[C@]31C[C@H]1O[C@H]1C2	257357177	MMPJTBVUGCNJGF-XMDVHIKRSA-N	364.558	4.555	50	50	FJGA	
CC(C)(C)c1cc(/C=N/NC(=O)Cc2cccs2)cc(C(C)(C)C)c1O	2073460	AHDWSAXQHBYINP-LPYMAVHISA-N	372.534	4.742	50	50	FJGA	
N#C/C(=C/c1c[nH]c2ccc(Br)cc12)c1ccc([N+](=O)[O-])cc1	4746591	CKAWHZWFSASGKB-GHXNOFRVSA-N	368.190	4.903	50	50	FJGA	
N#CC1=C(SCc2ccc(Cl)cc2)NC(=O)C[C@H]1c1cccs1	9014903	WJHKIUITDFWMJG-CYBMUJFWSA-N	360.891	4.674	50	50	FJGA	
CC(C)(C)[Si](C)(C)OCCn1cnc2cc(Br)ccc21	230538625	KYWQXGVXZHYFDM-UHFFFAOYSA-N	355.352	4.821	50	50	FJGA	
COc1ccccc1[C@@H]1C(C#N)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	666477	UAYLJWDRJITYGA-GAJHUEQPSA-N	370.452	4.580	50	50	FJGA	
CC(/C=N/NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)=C\c1ccccc1	6780329	VQGHTXHYWQDLEZ-AYCHGHPVSA-N	364.836	4.549	50	50	FJGA	
C[C@H](Cl)OC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	263620153	ALGNUOBPNWLUSY-ZCFIWIBFSA-N	350.642	4.962	50	50	FJGA	
COc1c(CBr)c(CBr)c(OC)c2ccccc12	1601652	LTAKPRGIRDGULR-UHFFFAOYSA-N	374.072	4.647	50	50	FJGA	
Br[C@H]1CC=CC[C@H](Br)c2nc3ccccc3nc21	2519564	AILXFYNPSVVAQZ-UWVGGRQHSA-N	368.072	4.852	50	50	FJGA	
COc1ccc(NC(=O)C(C#N)=C2CCC(C(C)(C)C)CC2)c(OC)c1	5976473	MIILXYPVPHWMDO-UHFFFAOYSA-N	356.466	4.699	50	50	FJGA	
CCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl	14096586	BJFZFJUPCKFQRI-KRWDZBQOSA-N	363.995	4.953	50	50	FJGA	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(F)cc1	13108201	BPADHENKYUIXMA-BOPFTXTBSA-N	352.409	4.507	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)S(=O)(=O)c1ccccc1	858333	WKAAGINOOPBGAC-LDADJPATSA-N	369.829	4.938	50	50	FJGA	
C[C@@H](Cl)OC(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	263620152	ALGNUOBPNWLUSY-LURJTMIESA-N	350.642	4.962	50	50	FJGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1	753186	WTCNQGMYZSRWBO-LJQANCHMSA-N	362.816	4.720	50	50	FJGA	
COc1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	4978965	SQTYQZOLEVMBOH-MDWZMJQESA-N	368.234	4.707	50	50	FJGA	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1	4529759	WEXYRFSZXSTICT-OEAKJJBVSA-N	369.380	4.665	50	50	FJGA	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1cccc([N+](=O)[O-])c1	5028081	FWTOYJOEYYMWCI-PDGQHHTCSA-N	363.417	4.658	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N\NC(=O)C3[C@H]4CCCC[C@H]34)ccc21	100311260	KYKWAIMTMJRAFT-YQDUWVMYSA-N	359.473	4.701	50	50	FJGA	
CC(C)(C)[Si](C)(C)OC[C@H]1OC=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O	169744765	JVPOCCACFOBDEV-OAGGEKHMSA-N	374.670	4.672	50	50	FJGA	
C=CCSC1=C(C#N)[C@@H](c2cccc(Oc3ccccc3)c2)CC(=O)N1	9374930	IIXPSIUZKWAJGS-GOSISDBHSA-N	362.454	4.737	50	50	FJGA	
CC1=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1	25694917	WXXNEYDWZXZWLK-QGZVFWFLSA-N	371.278	4.577	50	50	FJGA	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Br)o1	1196348	WFFDJENESQJEGN-JXMROGBWSA-N	365.614	4.550	50	50	FJGA	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	4762775	XVGATKUASRJDKA-VBKFSLOCSA-N	373.368	4.709	50	50	FJGA	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OC)c1	4998688	LHLKCQPCCGJCJL-ATVHPVEESA-N	351.406	4.514	50	50	FJGA	
CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	12367917	AGLVKMDQAYZUHB-ZROIWOOFSA-N	373.206	4.820	50	50	FJGA	
O=[N+]([O-])c1cccc([C@@H](Cl)O[C@H](Cl)c2cccc([N+](=O)[O-])c2)c1	2810065	ZDILKLOHOQDXNU-KBPBESRZSA-N	357.149	4.695	50	50	FJGA	
O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(N=C=S)cc1	19737293	CHHRZVDVGJSDAN-UHFFFAOYSA-N	359.259	4.529	50	50	FJGA	
C/C=C/CSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1	2921980	ARDLHUBRINCULR-WRFKIARRSA-N	358.894	4.934	50	50	FJGA	
C/C=C/CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	2921948	FUSVUVZGSYWPAR-WRFKIARRSA-N	358.894	4.934	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1nc2ccccc2[nH]1	5028335	HWMRKJHZBDOIKZ-FMIVXFBMSA-N	374.331	4.934	50	50	FJGA	
CCCCCC[C@@H](Br)C(=O)c1cc(C)ccc1OC(C)=O	5418382	QJRAHZOQLWKEME-OAHLLOKOSA-N	355.272	4.837	50	50	FJGA	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cccc3ccccc23)n[nH]1	9066520	UPSVZYSVMCTKOG-XPIRNMDISA-N	366.424	4.659	50	50	FJGA	
CCCCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)s1	2290427	AZBLFOMXKWVPIT-QGZVFWFLSA-N	356.491	4.542	50	50	FJGA	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccncn1	758912992	OYCNMVQLQUYEFX-BOPFTXTBSA-N	369.453	4.514	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)[nH]n1)c1ccc(F)cc1	9088219	PMHQHFUIJVLPJJ-ZVHZXABRSA-N	372.403	4.523	50	50	FJGA	
N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@@H]1c1ccc(Cl)cc1Cl	622699	WJKDSPTXYMWHQB-HNNXBMFYSA-N	374.252	4.797	50	50	FJGA	
CC(C)CN1CCCc2cc(/C=C(\C#N)c3ccc4c(c3)OCO4)ccc21	1393691	VXHOSRANWOVWGT-RGVLZGJSSA-N	360.457	4.888	50	50	FJGA	
O=C(c1ccccc1)[C@H](Br)[C@H](Br)c1ccccc1	1641114	LYAGBKGGYRLVTR-ZIAGYGMSSA-N	368.068	4.769	50	50	FJGA	
CCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	1977649	HPSYCOSNTNGOIG-SFQUDFHCSA-N	352.390	4.846	50	50	FJGA	
Cc1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cs1	2749662	UQZGMYKWBIUUME-FSJBWODESA-N	373.481	4.823	50	50	FJGA	
CC(C)(C)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	948094	ZSRIKONUWJCCMB-LDADJPATSA-N	359.878	4.976	50	50	FJGA	
CCC/C(=N\NC(=O)c1ccc(-n2cccc2)cc1)c1ccc(C)s1	4619402	XPXAASUJCUNZEZ-DYTRJAOYSA-N	351.475	4.781	50	50	FJGA	
C=CCc1ccc(N2CC[C@H](CO[Si](C)(C)C(C)(C)C)C2)nc1F	169794008	GHHPFVLQPIAZFW-HNNXBMFYSA-N	350.554	4.797	50	50	FJGA	
CC(C)Oc1ccccc1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	2101604	PRTPSAJCVJAXQS-KOEQRZSOSA-N	372.468	4.756	50	50	FJGA	
CCOCc1c(C)cc(C)c(C2=C(C#N)C(N)=C(C#N)C3=CCCC[C@H]32)c1C	5316314	LDUHCYLQQUQYFW-GOSISDBHSA-N	373.500	4.902	50	50	FJGA	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(F)c1	12393097	LTMGWXRHZPWXLV-YVLHZVERSA-N	352.409	4.507	50	50	FJGA	
CC1=C(C#N)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19770433	ALMDTKBMNJNMJU-JTSKRJEESA-N	358.416	4.711	50	50	FJGA	
COC(=O)CCC/C=C\CC1=C[C@H](O[Si](C)(C)C(C)(C)C)CC1=O	169982782	KMZNNYCERSPGGM-GQSKFBFOSA-N	352.547	4.566	50	50	FJGA	
O=C(N/N=C/c1ccccc1Cl)c1ccccc1OCc1ccccc1	2952259	CCLCPBBBFXYGJZ-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CCl)CC[C@@]43C)[C@H]1CCC2=O	254307667	MANUVJFOTKRZRU-YLMHJTNXSA-N	364.913	4.669	50	50	FJGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccccc2)cc1	2820929	OTCCNDQQGXFBOH-OAQYLSRUSA-N	370.452	4.804	50	50	FJGA	
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1	4210927	QGUDMXMDJYXYJS-CFSDDKQLSA-N	357.457	4.913	50	50	FJGA	
COc1ccc2c(Cl)c(C(=O)N/N=C/C=C/c3ccccc3)sc2c1	5676245	VNRVETRSCCZGFI-JPDQMXGXSA-N	370.861	4.992	50	50	FJGA	
O=C(N/N=C/c1cc(Cl)ccc1O)c1sc2ccccc2c1Cl	5875707	WHKPNPPDCLTWRN-UFWORHAWSA-N	365.241	4.678	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC(O)=C3C(=O)CC[C@]31C[C@H]1O[C@@H]1C2	257357286	NBPXGSKZCWZLSA-GUDQBORRSA-N	364.558	4.509	50	50	FJGA	
N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@@H]1c1ccc(F)cc1	752637	XLNRIWZDWNGWDG-SFHVURJKSA-N	350.780	4.850	50	50	FJGA	
CC(C)OCCS(=O)(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	170593728	BGHPAUFUVVFIGC-UHFFFAOYSA-N	369.377	4.511	50	50	FJGA	
CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]12C	257356869	KUVKZKUBSUKKMO-KXOUKXDCSA-N	350.930	4.733	50	50	FJGA	
CN(C)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(-c2ccccc2)cc1	753415	POGQHPULNNAEIJ-QHCPKHFHSA-N	367.452	4.638	50	50	FJGA	
Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3ccccc3)cc1)C2	2898318	CCPNQVFLAYCYMF-AFUMVMLFSA-N	369.468	4.588	50	50	FJGA	
COc1ccc(OC)c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)c1	2276984	AWLKOAZUTKIQBB-QINSGFPZSA-N	363.442	4.804	50	50	FJGA	
N#CC(C#N)=C1C=CC=CN1/C(=C\c1cccc(F)c1)C(=O)c1ccccc1	4957415	SBGKBRREGAOPMW-HMAPJEAMSA-N	367.383	4.736	50	50	FJGA	
CC1=C[C@@]23CCCC[C@@H](CC[C@H]4O[C@]42[C@H]1O)[C@H]3O[Si](C)(C)C(C)(C)C	216492067	LLPKXAFAKNWTSX-VQHSRYPXSA-N	364.602	4.806	50	50	FJGA	
CC(C)CCOC(=O)Oc1c(-c2ccccc2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	6693237	OZMYQXCFRAGDHL-UHFFFAOYSA-N	374.349	4.732	50	50	FJGA	
CC(C)c1cc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)cs1	17076370	PXZVZUPQZHOZFX-ZVBGSRNCSA-N	372.881	4.679	50	50	FJGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC(C)C)cc3)n[nH]2)cc1	16956726	WOHMIJMQBBQJAO-BUVRLJJBSA-N	374.488	4.602	50	50	FJGA	
CC1=CC(C)(C)N(C)c2cc3c(cc21)[C@@H](c1ccc(C)cc1)C(C#N)=C(N)O3	1857526096	KFYJCPFAMCCLRA-JOCHJYFZSA-N	371.484	4.845	50	50	FJGA	
CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1)=C\c1ccccc1	4746343	OXECKZAPALQUKX-CVKVKLAESA-N	370.865	4.611	50	50	FJGA	
N#C/C(=C\c1c(Cl)ccc([N+](=O)[O-])c1Cl)c1nc2ccccc2[nH]1	5016274	FRTPFWRIKHXQMS-VQHVLOKHSA-N	359.172	4.842	50	50	FJGA	
N#CC1=C(N)Oc2c(ccc3cccnc23)[C@@H]1c1ccc(Cl)cc1Cl	998249	NVOJFVNJNQMMQQ-INIZCTEOSA-N	368.223	4.760	50	50	FJGA	
CC(=NNC(=O)[C@@H](C)Nc1ccc(C)cc1C)c1ccc2ccccc2c1	245238833	BMMYNRHXEQMYQK-GOSISDBHSA-N	359.473	4.797	50	50	FJGA	
O=[N+]([O-])c1ccc2c(c1)[C@H](Br)c1cc(Br)ccc1-2	2043113	QXCZEKJDCKEUFW-CYBMUJFWSA-N	369.012	4.822	50	50	FJGA	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccccc1-n1cccc1	12959027	FWTOQJJSPIKPMP-MTJSOVHGSA-N	358.228	4.548	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)c(C(F)(F)F)c1	799750910	GPOIUGQCFOPKSN-UHFFFAOYSA-N	374.149	4.641	50	50	FJGA	
C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1cccc2ccccc12	945882	MGQXIUWKBSAPMA-LFVJCYFKSA-N	368.440	4.692	50	50	FJGA	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)o1	4453649	KWGMJUKCWOTQKS-GDNBJRDFSA-N	369.380	4.894	50	50	FJGA	
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1C/C=C\CCCC(=O)O)OO	102178874	SGUKUZOVHSFKPH-JZFBHDEDSA-N	368.470	4.517	50	50	FJGA	in-vitro
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc2c3c(cccc13)CC2	4108318	GAMQTAJOMFTWOG-FGCPFIITSA-N	354.453	4.582	50	50	FJGA	
Cc1ccc(C(=O)CN2C=C/C(=C/C=C(C#N)C#N)c3ccccc32)cc1	35240470	IKYPHAJSYIMJPP-ODLFYWEKSA-N	351.409	4.569	50	50	FJGA	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc(C#N)cc2)o1	1127978	GHORBISORRRAJV-YBEGLDIGSA-N	371.352	4.799	50	50	FJGA	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12	2319282	MCRJZBYOUNCZAQ-LFVJCYFKSA-N	351.409	4.666	50	50	FJGA	
CC(C)Cc1ccc([C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	4948457	XOVBLJXOAHXACI-SCELWYEFSA-N	374.484	4.998	50	50	FJGA	
CCn1c2ccccc2c2cc(NC(=O)CCCBr)ccc21	44123919	QNCUHVPWXRUTAI-UHFFFAOYSA-N	359.267	4.928	50	50	FJGA	
CCCCCC[C@H](Br)C(=O)c1cc(C)ccc1OC(C)=O	5418336	QJRAHZOQLWKEME-HNNXBMFYSA-N	355.272	4.837	50	50	FJGA	
CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1	4677947	BLHNWFRIQMRQNW-XWJCGCQVSA-N	372.472	4.704	50	50	FJGA	
CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19770456	PDNBVGHPHSDNCT-HTAPYJJXSA-N	358.416	4.711	50	50	FJGA	
N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@@H]1c1c(Cl)cccc1Cl	706885	DCFORZKJJLYJSL-AWEZNQCLSA-N	374.252	4.797	50	50	FJGA	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	858292	GURYJQZCXYVPAK-FOWTUZBSSA-N	373.368	4.709	50	50	FJGA	
N#CSc1ccc(NC(=O)CSc2nc3ccccc3s2)cc1	1176431	KJAPZXJUPXQDFO-UHFFFAOYSA-N	357.485	4.600	50	50	FJGA	
CC(C)(CCl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	3104450	BAIDGYDKIWSTIQ-UHFFFAOYSA-N	350.245	4.775	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1)c1ccccc1	5354254	IOQDWSHUBRBJTQ-SRZZPIQSSA-N	373.243	4.538	50	50	FJGA	
O=C(N/N=C\[C@@H]1CC=CCC1)c1cc(-c2ccccc2O)nc2ccccc12	17076091	ITXNALKTBMJBEI-OYJNRBEISA-N	371.440	4.679	50	50	FJGA	
Cc1csc(Sc2ccc(NC(=O)[C@@H](F)Cl)cc2Cl)n1	2325897738	GGMKCXONHIYWKM-SNVBAGLBSA-N	351.255	4.729	50	50	FJGA	
C[C@H](Sc1ccccc1)C(=O)NN=C(c1ccccc1)c1ccccc1	5721556	ZYRAIQGAKXHIBQ-KRWDZBQOSA-N	360.482	4.736	50	50	FJGA	
CC(C)[C@@H]1COC(C2=CCC[C@@H]2P(c2ccccc2)c2ccccc2)=N1	1857523953	OGUWGOGPZSKWLC-VXKWHMMOSA-N	363.441	4.661	50	50	FJGA	
CC(=O)C1=C(C)NC(SCc2ccccc2)=C(C#N)[C@@H]1c1ccccc1	752118	WTAUPHCOCZYJLR-NRFANRHFSA-N	360.482	4.905	50	50	FJGA	
CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@H]1C[C@@]2(C)C(=O)C[C@H]1C[C@@H]2O	257357349	NPKMMTRFFBYCBU-ZPFYTHJMSA-N	354.607	4.647	50	50	FJGA	
Cl[C@]1(Br)c2ccccc2[C@H](Br)[C@@H]2C=CC=C[C@H]21	238950803	ZQASRTHFLYVJSG-IMJCEVDSSA-N	374.503	5.281	50	50	FJGA	
C/C(=N/NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(C)cc1C	17072739	YLLLUZPTWMBXDY-QJOMJCCJSA-N	350.462	4.779	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@H]1[C@H]2CCCC[C@@]13CCC(=O)[C@@H]3C(=O)CC2	169831022	ADPRPPLNHNZCIJ-RNVRALISSA-N	350.575	4.895	50	50	FJGA	
N#C/C(=C\c1cccc(F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	4020342	FDBQZGQSHLUZBR-RIYZIHGNSA-N	351.362	4.922	50	50	FJGA	
CC(C)CCOc1ccc(/C=C(/C#N)c2nc(O)c3ccccc3n2)cc1	4170209	UGNYWCFTQNQORW-LGMDPLHJSA-N	359.429	4.824	50	50	FJGA	
N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1	2282118	XRNLMCKPRXPWSN-LCYFTJDESA-N	365.389	4.654	50	50	FJGA	
C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Cl)s1	17075829	NLIAAPFKLDHFEZ-SSDVNMTOSA-N	369.877	4.981	50	50	FJGA	
CCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O)OO	100014002	SGUKUZOVHSFKPH-ZWAKLXPCSA-N	368.470	4.517	50	50	FJGA	in-vitro
COc1ccc(/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	5008912	MVYYPYPTTCLJIU-OQLLNIDSSA-N	363.398	4.791	50	50	FJGA	
CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1	5353394	HFCFFVLYCNEEOK-WSDLNYQXSA-N	366.852	4.617	50	50	FJGA	
N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc(C#N)cc1	16399397	BZESEXXFLBSPMV-DHDCSXOGSA-N	359.316	4.930	50	50	FJGA	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CCl)CC[C@@]43C)[C@H]1CCC2=O	254307654	MANUVJFOTKRZRU-LKTQXZJLSA-N	364.913	4.669	50	50	FJGA	
CCc1ccc(/C=N/NC(=O)c2cc(CC(C)C)nc3ccccc23)s1	2785450	VWLOQCPSYYWDSG-LPYMAVHISA-N	365.502	4.821	50	50	FJGA	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cn(CC)c3ccccc23)cc1	759547	OLZMXXRJPAQFPO-SSZFMOIBSA-N	359.429	4.606	50	50	FJGA	
CCOc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1OC	2884088	IKZWYYXCXIOJIP-GDNBJRDFSA-N	358.235	4.921	50	50	FJGA	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	1453353	HYUBURGBMPOSOF-UKTHLTGXSA-N	360.207	4.568	50	50	FJGA	
O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/C=C/c1ccccc1	2363920	RKRBSTIDOOJFCJ-RNZORNNISA-N	371.484	4.726	50	50	FJGA	
O=C(N/N=C/c1ccccc1)c1ccccc1OCc1ccc(Cl)cc1	4365472	SISKMNBQGHHCEE-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
C=C(C)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)CC(=O)N1	708575	OYBDRJJDPCMXMK-GFCCVEGCSA-N	353.274	4.641	50	50	FJGA	
CCCOc1cccc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)c1	4614934	SLJRYMAALXSCML-HZHRSRAPSA-N	354.494	4.532	50	50	FJGA	
Cc1cc(/C=C(\C#N)C(=O)OCc2nccs2)c(C)n1C1CCCCC1	222120181	PJHUFQVHSACCHJ-GZTJUZNOSA-N	369.490	4.717	50	50	FJGA	
Cc1cc(O[C@@H](C)C(=O)N/N=C/C[C@@H](C)c2ccccc2)ccc1Cl	4647157	OAUQQDBWNOWDCB-RDPDKMBWSA-N	358.869	4.712	50	50	FJGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	704137	VCSMZMACBQOFBA-MRXNPFEDSA-N	354.862	4.612	50	50	FJGA	
CC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	627418	DLXXBODKVIQQSQ-QHCPKHFHSA-N	370.452	4.757	50	50	FJGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1	4372531	LKMKOVYGJKLECL-LSLKUGRBSA-N	350.890	4.816	50	50	FJGA	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1	5126181	KQKUXDJAGDKMKI-HYARGMPZSA-N	372.453	4.569	50	50	FJGA	
O=C(CCCC[C@H]1CCSS1)N1CCCC[C@H]1c1cccnc1	217975137	QXDORHPZRXXIRR-IRXDYDNUSA-N	350.553	4.849	50	50	FJGA	biogenic
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccncc1	1229779	GXIWTTYLBZRLCN-PHEQNACWSA-N	353.425	4.594	50	50	FJGA	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/C=C/c1ccccc1	3023486	GBADDGVAJUYRNR-VQSRTKSSSA-N	356.425	4.548	50	50	FJGA	
Br[C@H]1CC=CC[C@@H](Br)c2nc3ccccc3nc21	6865008	AILXFYNPSVVAQZ-AOOOYVTPSA-N	368.072	4.852	50	50	FJGA	
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc2c3c(cccc13)CC2	4108317	GAMQTAJOMFTWOG-UCIYYCOQSA-N	354.453	4.582	50	50	FJGA	
C/C=C/CSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(C)=O)=C(C)N1	18036758	ARDLHUBRINCULR-SHCNBLLESA-N	358.894	4.934	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3F)n2)cc1	100341196	XGZNACJESPNKAU-KAMYIIQDSA-N	351.406	4.934	50	50	FJGA	
C/C=C1\C[N@@+]2(CCCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14	252441474	XQRRSKKQLILQOC-GVBKGATESA-O	363.525	4.562	50	50	FJGA	biogenic
Cc1ccc(/C=N/NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1	4360624	HWYLKGJGNPHLQY-BUVRLJJBSA-N	358.441	4.646	50	50	FJGA	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccccc2)nc2ccccc12	1105471	SEIHWRDZZZTUEW-MFKUBSTISA-N	369.399	4.805	50	50	FJGA	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C1CCCCC1	2542558	KZOGXTNBVREUKQ-OEAKJJBVSA-N	370.880	4.949	50	50	FJGA	
CCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Br	5042205	PBCKZEZLUUQDGQ-LCYFTJDESA-N	368.234	4.788	50	50	FJGA	
O=C(OC(=O)c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	95696982	FNAWJOBKLWLHTA-UHFFFAOYSA-N	362.225	4.721	50	50	FJGA	in-vitro
COc1ccc(Br)cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1	16667529	FMHKGTBCFKHGLK-JYRVWZFOSA-N	368.234	4.707	50	50	FJGA	
CC[Si](CC)(CC)O[C@@H]1C=C(C/C=C\CCCC(=O)OC)C(=O)C1	169982775	OOQNWYMXCDLSSN-SECOEOQKSA-N	352.547	4.566	50	50	FJGA	
COC(=O)[C@]12C(=O)C=CC(C)(C)[C@H]1CCC[C@H]2O[Si](C)(C)C(C)(C)C	169835212	HBVRSUBDVOJDEP-KKVAFCGZSA-N	366.574	4.501	50	50	FJGA	
FC(F)(Br)[C@](F)(Cl)[C@H]1CCCC[C@@H]1Br	2526350	KVDWIHTZFHVBDS-ACZMJKKPSA-N	358.423	4.832	50	50	FJGA	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2[nH]1	4679160	PNEMQWVSHGONJA-SDNWHVSQSA-N	356.341	4.795	50	50	FJGA	
Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(C(=O)O)cc4)o3)[nH]c2c1	4993109	RXPOEKRDTQNJGS-LFIBNONCSA-N	369.380	4.894	50	50	FJGA	
CCOc1cc2c(cc1/C=C(\C#N)c1ccc(C(F)(F)F)cc1)OCO2	1143457	CUZWAFWAUBVVCP-VGOFMYFVSA-N	361.319	4.897	50	50	FJGA	
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1cccnc1	1229775	BHNYAOMPRHYBMU-WXUKJITCSA-N	353.425	4.594	50	50	FJGA	
FC(F)(Br)[C@](F)(Cl)[C@@H]1CCCC[C@@H]1Br	63067797	KVDWIHTZFHVBDS-VQVTYTSYSA-N	358.423	4.832	50	50	FJGA	
CC(=C/c1ccccc1)/C=N/NC(=O)[C@H](C)Oc1ccc2ccccc2c1	43334144	ONDFNMVJIKNHOV-MWKOKPNVSA-N	358.441	4.813	50	50	FJGA	
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2c3c(cccc13)CC2	1229997	GAMQTAJOMFTWOG-SBNROJICSA-N	354.453	4.582	50	50	FJGA	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc2c3c(cccc13)CC2	4108324	GAMQTAJOMFTWOG-DWUPLCMKSA-N	354.453	4.582	50	50	FJGA	
COc1ccc(-c2cc(C(=O)Cl)c3cc(Cl)ccc3n2)cc1OC	6247625	BTSWDKFCVCEBEL-UHFFFAOYSA-N	362.212	4.951	50	50	FJGA	
CCc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2cccc3ccccc23)cc1	13321778	DPEWFLADQINWDP-MFKUBSTISA-N	368.440	4.556	50	50	FJGA	
C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccccc1	5516928	ICDZQUZTDQDZNJ-JJIBRWJFSA-N	355.441	4.725	50	50	FJGA	
CC1=C(C#N)[C@H](c2c(Cl)cncc2Cl)C2=C(CC(C)(C)CC2=O)N1	25695036	QWMICVPDLUVPPU-OAHLLOKOSA-N	362.260	4.516	50	50	FJGA	
N#CC(=C1CCN(Cc2ccc(C3CC(=O)C3)cc2)CC1)c1ccccc1	2325790863	QZZPVURGKCUYBS-UHFFFAOYSA-N	356.469	4.706	50	50	FJGA	
CCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	4009429	OLYNCOKIQUFPDK-UKTHLTGXSA-N	368.234	4.788	50	50	FJGA	
O=C(NNc1ccccc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1	1190566	ZKOKQBVRUQZFHC-UHFFFAOYSA-N	366.424	4.568	50	50	FJGA	
N#C/C(=C\c1cccc2ccccc12)c1nn(-c2ccccc2)c(N)c1C#N	4321967	LLXGRTGGOUAVLP-QGOAFFKASA-N	361.408	4.544	50	50	FJGA	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nc2ccccc2c(=O)[nH]1	9320211	PCPWCIWIFXFCFW-SDNWHVSQSA-N	373.799	4.901	50	50	FJGA	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccccc1	15684782	SDUKSMYJVSPXKM-AQTBWJFISA-N	359.404	4.779	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCC3=COC(=O)CC[C@]31C[C@@H]1O[C@@H]1C2	257357175	MMPJTBVUGCNJGF-BRUJONNXSA-N	364.558	4.555	50	50	FJGA	
CCc1ccc(/C=N/NC(=O)CCn2c3c(c4ccccc42)CCCC3)cc1	1469456	ZEGSRHQRSJSYFM-KOEQRZSOSA-N	373.500	4.623	50	50	FJGA	
CCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCC	2567698	RUOMYSSJJNEDSR-UHFFFAOYSA-N	362.472	4.839	50	50	FJGA	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	2584243	UQGXIBCZYXRQGJ-VLVOFSMPSA-N	355.191	4.978	50	50	FJGA	
CCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1	2873339	BQMMFQNZGGFSSF-FYJGNVAPSA-N	353.447	4.619	50	50	FJGA	
CC(C)(C)[C@H]1COC([C]2[CH][CH][CH][C]2P(c2ccccc2)c2ccccc2)=N1	103623688	DSONROREXIWMGN-JOCHJYFZSA-N	374.444	4.696	50	50	FJGA	
CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1CCCCCCC(=O)O)OO	85534353	QXCRWNZYEVOQMB-CDIPTNKSSA-N	370.486	4.741	50	50	FJGA	in-vitro
Cc1cc([N+](=O)[O-])cc(C)c1OC(=O)Nc1cccc(C(F)(F)F)c1	2156250	PIZVVSFNDWQFOS-UHFFFAOYSA-N	354.284	4.841	50	50	FJGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccc(Cl)cc1	5353742	MXAIRJTTYSIALA-SRZZPIQSSA-N	373.243	4.538	50	50	FJGA	
CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl	196297520	UBXQQZYYSMFLLM-YJYMSZOUSA-N	371.864	4.705	50	50	FJGA	
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](C(=O)CCl)CC[C@H]12	254308042	JXGFGNDGQLRGPL-GNFVNJEZSA-N	352.946	4.814	50	50	FJGA	
CC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1	25694920	WXXNEYDWZXZWLK-KRWDZBQOSA-N	371.278	4.577	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2cccc3ccccc23)n[nH]1	5297603	STLCTSLJNRETFY-YDZHTSKRSA-N	374.831	4.647	50	50	FJGA	
CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)=C\c1ccccc1	12342808	MYGZJYYQLNZYFD-AYCHGHPVSA-N	364.836	4.549	50	50	FJGA	
O=C=Nc1ccc(C(c2ccc(N=C=O)cc2)c2ccc(N=C=O)cc2)cc1	100043551	LTIKIBFTASQKMM-UHFFFAOYSA-N	367.364	4.769	50	50	FJGA	in-vitro
C/C(=N\NC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccncc1	682633	JTOPBNGZIMMDSZ-AWQFTUOYSA-N	364.257	4.757	50	50	FJGA	
COC(=O)Nc1ccc(SSc2ccc(NC(=O)OC)cc2)cc1	2694845	DZWCCKGLEHFAET-UHFFFAOYSA-N	364.448	4.843	50	50	FJGA	
O=C1c2ccccc2[C@@H](Br)[C@H](Br)c2sccc21	3120374	FMLHOINVMYQJPG-MNOVXSKESA-N	372.081	4.865	50	50	FJGA	
c1ccc(P(=Nc2nccs2)(c2ccccc2)c2ccccc2)cc1	100674962	MRNYAVJQHZSOKQ-UHFFFAOYSA-N	360.422	4.952	50	50	FJGA	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1195023	PBYHZYYUGQZBOS-FOWTUZBSSA-N	373.368	4.709	50	50	FJGA	
C=CCOc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1	5613137	KWVXPTAKFVTRCF-CIAFOILYSA-N	370.861	4.883	50	50	FJGA	
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCl)CC[C@@]43C)[C@H]1CCC2=O	254307649	MANUVJFOTKRZRU-GLDUVZCJSA-N	364.913	4.669	50	50	FJGA	
CSCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	5020033	GULBYXPBXHDDPH-INIZCTEOSA-N	364.923	4.679	50	50	FJGA	
C=CCc1ccc(N2CC[C@@H](CO[Si](C)(C)C(C)(C)C)C2)nc1F	169794007	GHHPFVLQPIAZFW-OAHLLOKOSA-N	350.554	4.797	50	50	FJGA	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	16677405	PXCWFIPQJLFHGH-SSZFMOIBSA-N	353.853	4.732	50	50	FJGA	
CC(C)[C@H]1COC(C(C)(C)CP(c2ccccc2)c2ccccc2)=N1	100088549	FYXTWZZTVCGWFU-HXUWFJFHSA-N	353.446	4.599	50	50	FJGA	
CC(C)[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H]1C[C@@]2(C)C(=O)C[C@H]1C[C@@H]2O	257357348	NPKMMTRFFBYCBU-GFAJBQDWSA-N	354.607	4.647	50	50	FJGA	
CCCCOc1ccc(/C(CC)=N/NC(=O)[C@]2(C)CC2(Cl)Cl)cc1	17076053	PWIUDZHGVLHAPC-LBSLPOPVSA-N	371.308	4.680	50	50	FJGA	
O=C(N/N=C/c1ccccc1Cl)c1cc(-c2ccc3ccccc3c2)n[nH]1	5295989	MSADYUOTQHEHPZ-YDZHTSKRSA-N	374.831	4.647	50	50	FJGA	
COc1ccc(COc2ccc(C3C(C#N)=C(C)NC(C)=C3C#N)cc2)cc1	25539584	USURFSFPHGGOIE-UHFFFAOYSA-N	371.440	4.556	50	50	FJGA	
Nc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100336996	ZWVVKPCCLZHUDJ-UHFFFAOYSA-N	368.440	4.763	50	50	FJGA	
C[C@H](C/C=N/NC(=O)COc1cc(Cl)ccc1Cl)c1ccccc1	4647105	CZSWVNDZTKDIRN-WVISFHDSSA-N	365.260	4.668	50	50	FJGA	
BrCC[C@H]1[C@@H]2C=C[C@H]3[C@@H](CCBr)[C@@H]4C=C[C@H]1[C@H]4[C@@H]23	254516427	VHKDZNONYGYYFB-XZDWHSDYSA-N	372.144	4.653	50	50	FJGA	
BrCCC1[C@@H]2C=C[C@@H]3C(CCBr)[C@H]4C=C[C@@H]1[C@H]4[C@@H]23	254516421	VHKDZNONYGYYFB-JNLLJARDSA-N	372.144	4.653	50	50	FJGA	
COc1ccc(/C(C#N)=C/c2ccc(F)c(Br)c2)cc1OC	1187276	ZPSYWWSVTPNIKA-NTUHNPAUSA-N	362.198	4.670	50	50	FJGA	
O=C(N/N=C/c1ccc2ccccc2c1O)c1ccc(Cl)cc1Cl	1200488	HBRUGLRUYJOUMU-UFFVCSGVSA-N	359.212	4.616	50	50	FJGA	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1	4107955	SHHLXVUNCXHXSY-SDNWHVSQSA-N	360.335	4.650	50	50	FJGA	
CCSC1=C(C#N)C2(CCCCC2)C(C(=O)Nc2ccccc2)=C(C)N1	13281276	SNHNXALBEAULRE-UHFFFAOYSA-N	367.518	4.941	50	50	FJGA	
CCOCc1c(C)cc(C)c(C2=C(C#N)C(N)=C(C#N)C3=CCCC[C@@H]32)c1C	5316311	LDUHCYLQQUQYFW-SFHVURJKSA-N	373.500	4.902	50	50	FJGA	
C/C(=N\NC(=O)c1csc(C(C)C)c1)c1ccc2ccccc2c1O	17073066	WGJXVUCICROYQP-FYJGNVAPSA-N	352.459	4.884	50	50	FJGA	
COC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	220955346	MBUPVWJMBRIEEP-XDHOZWIPSA-N	373.408	4.507	50	50	FJGA	
C/C=C1/C[N@+]2(CCCCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14	252462951	XQRRSKKQLILQOC-SKEGLTCDSA-O	363.525	4.562	50	50	FJGA	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc(Br)c1	827779	KQAZZGGNQZAUJI-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
O=C(CNc1cccc2ccccc12)N/N=C/c1c(Cl)cccc1Cl	1228186	UQHIURMBPPFHBY-FOKLQQMPSA-N	372.255	4.709	50	50	FJGA	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(Cl)cc1	3077103	PIIKOJIMQQPRMO-OEAKJJBVSA-N	364.832	4.536	50	50	FJGA	
FC(F)(Br)[C@](F)(Cl)[C@@H]1CCCC[C@H]1Br	63067798	KVDWIHTZFHVBDS-QYNIQEEDSA-N	358.423	4.832	50	50	FJGA	
CC1CCC(=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)CC1	4366422	ZNGPOMMRASFZGW-ZYMOGRSISA-N	350.462	4.803	50	50	FJGA	
CCC(CC)C(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C)s2)c1	4647092	MTTSOESQIKQVMS-HYARGMPZSA-N	371.506	4.585	50	50	FJGA	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(Cl)cc1	4366211	LLGPSQQLUZQSDT-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
C/C=C/CSC1=C(C#N)[C@@H](c2ccc(CC)cc2)C(C(C)=O)=C(C)N1	2921960	OUYKBCFFDFDTPW-ZEZYUPADSA-N	352.503	4.843	50	50	FJGA	
COc1ccc(OC)c(-c2cc(C(=O)Cl)c3cc(C)cc(C)c3n2)c1	6255333	SEYVNMOVZLQPMQ-UHFFFAOYSA-N	355.821	4.915	50	50	FJGA	
Cc1ccccc1[C@@H]1CC(=O)NC(SCc2ccc(Cl)cc2)=C1C#N	9324607	JGLJQNYEVPQPKD-KRWDZBQOSA-N	368.889	4.921	50	50	FJGA	
C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C)cc1	4950333	OAMAUUOKAZQETG-GJFYNSNLSA-N	368.480	4.841	50	50	FJGA	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)cc1	1182458	QNGACHADNAGOEW-QGOAFFKASA-N	374.465	4.963	50	50	FJGA	
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)[C@H](Br)[C@@]2(C)CCC[C@H]12	5276382	QWGULHWDLZYDCS-JENYNMIDSA-N	367.327	4.541	50	50	FJGA	
O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(N=C=S)cc1	19737309	QMLVODBGPSLHSE-UHFFFAOYSA-N	359.259	4.529	50	50	FJGA	
N#CC1=C(N)Oc2c(cc(Cl)c3ccccc23)[C@H]1c1ccc(F)cc1	752638	XLNRIWZDWNGWDG-GOSISDBHSA-N	350.780	4.850	50	50	FJGA	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cccc(Cl)c1	1959291	GNSRUZKPRLCNKC-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
O=C(Nc1ccc2c(c1)[C@@H](Br)c1ccccc1-2)C(F)(F)F	2042783	YIHWFOHEOXDAIC-ZDUSSCGKSA-N	356.141	4.652	50	50	FJGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	1232828	FCXWYAOIWXDUOQ-UHFFFAOYSA-N	372.468	4.726	50	50	FJGA	
Cc1cc(O[C@@H](C)C(=O)N/N=C/C[C@H](C)c2ccccc2)ccc1Cl	4647159	OAUQQDBWNOWDCB-LDRCWXNXSA-N	358.869	4.712	50	50	FJGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1	855596	AQBAAFHBBYVDJK-LPYMAVHISA-N	351.837	4.511	50	50	FJGA	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(Br)cc1	1231070	JPCLUOXODGAKNT-QGMBQPNBSA-N	372.049	4.520	50	50	FJGA	
CC(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	2313058	FTMKVUJIOQBAFX-RGVLZGJSSA-N	369.515	4.662	50	50	FJGA	
CC(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl	2559975	IAWFVICGSTUKMS-LJQANCHMSA-N	371.864	4.705	50	50	FJGA	
N#C/C(=C\c1ccccc1F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	16671728	GFIOEQFRAXGWJO-RIYZIHGNSA-N	351.362	4.922	50	50	FJGA	
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(Cl)cc2)n[nH]1	5297170	HEPSAYWKKVAQGL-YDZHTSKRSA-N	374.831	4.647	50	50	FJGA	
CCCCCC1(CCCCC)c2ccccc2-c2ccc(B(O)O)cc21	169744560	VCMFLHIBNVHQOD-UHFFFAOYSA-N	350.311	4.794	50	50	FJGA	
Cc1ccsc1/C=N/NC(=O)c1cc(CC(C)C)nc2ccccc12	2785432	HWUDYZLABFFFPZ-CIAFOILYSA-N	351.475	4.567	50	50	FJGA	
O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	13321780	YERINYLAEQMWPL-ZMOGYAJESA-N	374.831	4.647	50	50	FJGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)[nH]n1	3903165	IRZJBZFMXDNBJW-ZVHZXABRSA-N	370.456	4.778	50	50	FJGA	
O=C(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1	1641113	LYAGBKGGYRLVTR-UONOGXRCSA-N	368.068	4.769	50	50	FJGA	
Cc1ccc(SCC(=O)NN=C(c2ccccc2)c2ccccc2)cc1	4013726	RSBFUIBALSEQRX-UHFFFAOYSA-N	360.482	4.656	50	50	FJGA	
N#C/C(=C/c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1cccc(F)c1	4739840	WCQDPTSYNBABLG-QCDXTXTGSA-N	366.175	4.660	50	50	FJGA	
CC(C)(C)[Si](C)(C)OCCc1c(Br)cccc1[N+](=O)[O-]	169976543	DGEQRGHOYGSUFX-UHFFFAOYSA-N	360.324	4.922	50	50	FJGA	
FC(F)(F)c1cc(Br)c(N=C=S)c(Br)c1	31829449	PRTDGKRBLACVJR-UHFFFAOYSA-N	360.980	4.965	50	50	FJGA	
N#C/C(=C1/C=C(Br)C(=NO)C=C1Cl)c1ccc(Cl)cc1	254047470	ZLUIJLPDZFBGBE-VRAKUTNOSA-N	370.033	4.862	50	50	FJGA	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)NC1CCCCC1	1211603	YKEBQOCISGLHAB-SQFISAMPSA-N	352.459	4.787	50	50	FJGA	
CCCCC[C@H](/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)O)OO	64857993	SGUKUZOVHSFKPH-CKXCCYAOSA-N	368.470	4.517	50	50	FJGA	in-vitro
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(F)F	4810007	CYYYZAWRLCCISW-ZSOIEALJSA-N	369.371	4.854	50	50	FJGA	
O=C(Cc1ccccc1)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	252679875	SISHDENZJCARNJ-UHFFFAOYSA-N	373.239	4.946	50	50	FJGA	
C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c2ccccc21	759575	UPANUOMBOCGKJX-VKAVYKQESA-N	371.440	4.690	50	50	FJGA	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1N1CCCC1	1184672	DHINMOARYMVSNE-GHRIWEEISA-N	365.864	4.794	50	50	FJGA	
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1cccc(Br)c1	15745735	FEQJEZWKLWFXRG-GHXNOFRVSA-N	361.626	4.648	50	50	FJGA	
N#CC1=C(N)Oc2c(ccc3cccnc23)[C@H]1c1ccc(Cl)cc1Cl	998250	NVOJFVNJNQMMQQ-MRXNPFEDSA-N	368.223	4.760	50	50	FJGA	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)C1CCCCC1	43761011	WXRMFLUQMBQVKB-OEAKJJBVSA-N	370.880	4.949	50	50	FJGA	
C[C@@H]1C[C@@H]1c1nc(C(Cl)Cl)nc2cc(-c3ccc(F)cc3)nn12	1857800571	GHCHRPKDFFDBOP-KCJUWKMLSA-N	351.212	4.530	50	50	FJGA	
N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1	706884	CBIVQVRTYQFXCF-HNNXBMFYSA-N	374.252	4.797	50	50	FJGA	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(O)c(OC)c3)n2)cc1	4551210	YNRLVIWAVQIRPA-OQLLNIDSSA-N	364.426	4.597	50	50	FJGA	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1Cl	12572385	TVMPRZGPOYIWIR-WLGVBFMHSA-N	363.244	4.578	50	50	FJGA	
COc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3ccccc3F)nc2c1	4739921	WSOBQBUJOUQHPU-KAMYIIQDSA-N	358.376	4.565	50	50	FJGA	
Oc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1	59393531	VRYRKBPNLMXAPT-UHFFFAOYSA-O	369.424	4.886	50	50	FJGA	in-vitro
Cc1nc(NNC(=O)c2ccc(Cl)cc2Cl)cc(-c2ccccc2)n1	2916220	DLSHLMVPPWSRLA-UHFFFAOYSA-N	373.243	4.516	50	50	FJGA	
C/C(=N\NC(=O)c1cccc(C)c1O)c1ccc(C2CCCCC2)cc1	17072737	MSRSYNYNJXCZFD-XQNSMLJCSA-N	350.462	4.902	50	50	FJGA	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4793850	VJFIBJUBLYHCFD-OVCLIPMQSA-N	362.410	4.612	50	50	FJGA	
N#C/C(=C/c1ccc(F)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	16513409	LOKCWAWFHVUXDF-ZROIWOOFSA-N	351.362	4.922	50	50	FJGA	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl	1384720	VFQMENSKXBDYEW-UHFFFAOYSA-N	365.138	4.649	50	50	FJGA	
O=C(N/N=C\[C@H]1CC=CCC1)c1cc(-c2ccccc2O)nc2ccccc12	17076090	ITXNALKTBMJBEI-PHQOBFFQSA-N	371.440	4.679	50	50	FJGA	
N#CC1=C(N)N(c2ccccc2)c2cc(O)ccc2[C@H]1c1ccccc1F	1423150	BQKRQLJWCDVZDS-OAQYLSRUSA-N	357.388	4.509	50	50	FJGA	
Br[C@@H]1CC=CC[C@@H](Br)c2nc3ccccc3nc21	104044607	AILXFYNPSVVAQZ-NXEZZACHSA-N	368.072	4.852	50	50	FJGA	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	2319235	GJVQMYATSRMZFL-PCLIKHOPSA-N	365.436	4.974	50	50	FJGA	
CCn1c2ccccc2c2cc(/C=N\NC(=O)c3cccc(C)c3)ccc21	32650108	BSTCYJRXCDQCLA-IWIPYMOSSA-N	355.441	4.887	50	50	FJGA	
O=C(N/N=C/c1cccs1)c1ccccc1OCc1ccc(Cl)cc1	4365500	XDIJUDXSHWABSW-CIAFOILYSA-N	370.861	4.744	50	50	FJGA	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1Cl	725369	NAIPLXLTWHNLTL-LPYMAVHISA-N	352.821	4.601	50	50	FJGA	
CCCCCCCC(=O)N/N=C1/c2ccccc2-c2nc3ccccc3nc21	2746195	QXFIMMSXDPVGSM-QYQHSDTDSA-N	372.472	4.839	50	50	FJGA	
C=CCc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1OC	4820914	NZQMIALJHANKIB-WQRHYEAKSA-N	373.456	4.990	50	50	FJGA	
CCC(=NNC(=O)[C@@H](CC)Nc1ccc(Cl)cc1C)c1ccccc1	245241130	XOMKAZXHTUDJEK-GOSISDBHSA-N	357.885	4.769	50	50	FJGA	
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1ccc(O)cc1	2938037	OVDZKVLHLAQDFS-JOBJLJCHSA-N	368.436	4.905	50	50	FJGA	
N#Cc1ccc(NNC(=O)c2cccc(Cl)c2Cl)c(C(F)(F)F)c1	799753639	LFCKQELNHRRYTD-UHFFFAOYSA-N	374.149	4.641	50	50	FJGA	
CCc1ccc(/C(C)=N/NC(=O)c2cc(C3CC3)nc3ccccc23)cc1	1003461	MFPVDZJIMVXAMU-MFKUBSTISA-N	357.457	4.829	50	50	FJGA	
CCc1ccc2c(Cl)c(C(=O)N/N=C/c3ccccc3O)sc2c1	673617	JDGFVNIYGCYMGJ-KEBDBYFISA-N	358.850	4.587	50	50	FJGA	
N#CC1=C(SCc2ccccc2Cl)NC(=O)C[C@H]1c1ccccc1F	1172073	ADAXECFTHFDKIY-AWEZNQCLSA-N	372.852	4.751	50	50	FJGA	
N#CC1=C(N)OC(c2cccs2)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1	706883	CBIVQVRTYQFXCF-OAHLLOKOSA-N	374.252	4.797	50	50	FJGA	
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl	1212842	VQNNETTZOVIUHL-UHFFFAOYSA-N	371.824	4.692	50	50	FJGA	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1cccc([N+](=O)[O-])c1	2866032	DKYDZQSASCJIDF-LFIBNONCSA-N	360.325	4.617	50	50	FJGA	
CC1=C(C#N)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19770432	ALMDTKBMNJNMJU-HTAPYJJXSA-N	358.416	4.711	50	50	FJGA	
O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cccc(F)c1	4702466	BBUFSSKTKDVTRB-QTANEOQUSA-N	362.364	4.711	50	50	FJGA	
CC(C)(C)[Si](C)(C)O[C@@H]1[C@H]2CCCC[C@@]13CCC(=O)[C@H]3C(=O)CC2	257355303	ADPRPPLNHNZCIJ-IVGZAAIESA-N	350.575	4.895	50	50	FJGA	
N#CC(C#N)=Cc1c(OCc2cnc(Cl)s2)ccc2ccccc12	1394677	VDSBZIGJZWBFLH-UHFFFAOYSA-N	351.818	4.959	50	50	FJGA	
N#C/C(=C/c1ccc(N2CCCCC2)cc1F)c1ccc(C(=O)O)cc1	4810625	ABRCEBSFUUOFKU-PDGQHHTCSA-N	350.393	4.578	50	50	FJGA	
C/C(=N\NC(=O)Cc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	17073534	GMXYCNFBICLKAK-KEBDBYFISA-N	355.652	4.730	50	50	FJGA	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1	3095572	WCUQGWCOYKIRSM-OEAKJJBVSA-N	364.832	4.683	50	50	FJGA	
COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(C)cc3)sc2c1	5793948	UCCSAIMXTPKAPI-KEBDBYFISA-N	358.850	4.636	50	50	FJGA	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1sccc1-n1cccc1	12961503	BTPVJABAPNMTRA-GRSHGNNSSA-N	364.257	4.610	50	50	FJGA