smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3Cl)n2)cc1	6300926	CCSRDOZRBLHCJE-OQLLNIDSSA-N	371.292	6.490	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1	58822884	OHZUWCGCZYINOJ-UYRXBGFRSA-N	374.371	5.377	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1	408568751	WTAPCIKKWWWCAH-WOJGMQOQSA-N	370.431	5.482	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1	408871898	ZDKNLENKRBUABO-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1ccc(C(=O)c2ccccc2F)s1	3048858	UKDVGEMIRQOPTC-SDNWHVSQSA-N	367.832	5.836	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	6566208	MPFTTXVYGRIDNQ-FMIVXFBMSA-N	355.224	5.573	50	40	FKGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccccc1F	107807754	BUSFPBLSPDBKMW-KAMYIIQDSA-N	356.322	5.699	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccnc1	408778609	IKSXCDVCUWFVNZ-ZDLGFXPLSA-N	367.374	5.572	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1cccc2ccccc12	5214824	SFNLUUYMIIUHJF-SAPNQHFASA-N	355.824	6.817	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)cc1	948325	MHNYOAWVMRXWEY-LFIBNONCSA-N	358.363	5.374	50	40	FKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Cl)cc3)sc2c1	35238230	HBRMBXZFINQQKD-UKWGHVSLSA-N	363.269	5.280	50	40	FKGB	
CCCCN1C(=C/C=C\C=C\C=C(C#N)C#N)N(CCCC)c2ccccc21	1775984644	DJKJJZJHUYMNFL-ZWOQCJTASA-N	372.516	5.841	50	40	FKGB	
O=[N+]([O-])c1cccc(/N=N/c2ccc(N(CCCl)CCCl)cc2)c1	4774312	KAZWRDYCPFFMGD-FMQUCBEESA-N	367.236	5.294	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccs1	6683666	CNXMESVTGSUYIT-DJKKODMXSA-N	365.241	5.079	50	40	FKGB	
N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2ccccc2)cs1	100840017	XXEKJLXEUANRKU-JXAWBTAJSA-N	353.450	5.940	50	40	FKGB	
O=C(CCCCCBr)c1cc(C(F)(F)F)ccc1Cl	575360923	RYJNHNFPFFNEBF-UHFFFAOYSA-N	357.597	5.497	50	40	FKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(C)C)N=C3CCCC(O)=C32)cc1	2209627	QGTVKQZEUGDDBV-IBGZPJMESA-N	352.503	5.654	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)c1	408810726	UQSRGTHIAMORNU-XMHGGMMESA-N	370.452	5.481	50	40	FKGB	
N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1F	408879189	BZILTHBQKNEZOH-XMHGGMMESA-N	374.390	5.101	50	40	FKGB	
CC(C)c1cccc(C(C)C)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	946432	LYOVPQYRKKEITH-SFQUDFHCSA-N	366.892	6.132	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Cl	169958380	PSTMHNDYQBXNJD-DHDCSXOGSA-N	351.837	5.296	50	40	FKGB	
CCOc1ccc(C(=O)O)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl	408580702	RBGWUJOIRQJPPV-MDWZMJQESA-N	362.212	5.154	50	40	FKGB	
C=CC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C	1565504811	NBALLXXQBOROKD-CVEARBPZSA-N	355.595	5.352	50	40	FKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	59116671	LPVVATXBPIZAJF-RCCKNPSSSA-N	368.436	5.120	50	40	FKGB	
C#CCn1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c2ccccc21	408581303	WBUMCIIMNJWKHQ-GXDHUFHOSA-N	351.236	5.645	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)NCCCc1ccccc1	409239764	DZZGGQHAKRJMIK-MOHJPFBDSA-N	366.464	5.010	50	40	FKGB	
CCN(CC)CCC[C@H](CCl)Nc1ccnc2cc(Cl)ccc12	2026263	SGNCRBDRAPGGCK-OAHLLOKOSA-N	354.325	5.030	50	40	FKGB	
CCc1ccccc1N/C=C(\C#N)c1nc(-c2cccc(OC)c2)cs1	4063724	MVUPPTRZQVZXDI-GHRIWEEISA-N	361.470	5.358	50	40	FKGB	
N#C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccn1	5068289	RIUSOIQFWWUHAZ-FOWTUZBSSA-N	359.816	5.051	50	40	FKGB	
CC(C)CC(CC(C)C)=NNC(=O)c1ccc(COc2ccccc2)cc1	5786266	XEHOBVMIOSWJKB-UHFFFAOYSA-N	366.505	5.444	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)cc1	5896544	IFORUZADCSBPBT-CPNJWEJPSA-N	373.431	5.087	50	40	FKGB	
N#C/C(=C\c1c[nH]c2ccc(Br)cc12)c1cccc2ccccc12	6496557	SOUYTLHVEZTNOW-XNTDXEJSSA-N	373.253	6.148	50	40	FKGB	
Cc1c2cnccc2c(C)c2c1c1ccccc1n2CCCCCCCl	13281455	QXRJZUMTRPUNTN-UHFFFAOYSA-N	364.920	6.759	50	40	FKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H](Cl)C=C[C@H]3[C@@]1(Cl)C2(Cl)Cl	30728367	FRCCEHPWNOQAEU-DURDZJSZSA-N	373.321	5.242	50	40	FKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)c1	33777718	HLKVUUALKHFWPB-QNGOZBTKSA-N	368.436	5.120	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)c3cccc(Cl)c3)c2)cc1	408598995	NFTZQRRSPJPUQN-MTJSOVHGSA-N	359.856	6.292	50	40	FKGB	
COc1ccc(-n2cccc2/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1	4083503	ZCWAHKUUUJNNCO-KAMYIIQDSA-N	369.251	5.857	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1	6563254	CFLJVFVFXCFQKP-NBVRZTHBSA-N	355.441	5.061	50	40	FKGB	
CCCCCCOc1ccccc1/C=C(\C#N)c1nc2ccccc2s1	11990321	YZWVEMWNCLUYFQ-OBGWFSINSA-N	362.498	6.320	50	40	FKGB	
O=C(Cl)c1ccc2nc(-c3cccc(Br)c3)sc2c1	73740422	HJFZLIVLSMVPCG-UHFFFAOYSA-N	352.640	5.105	50	40	FKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408848854	WNFPOQUQXSXNOV-GHRIWEEISA-N	374.415	5.312	50	40	FKGB	
FC(F)(F)c1cnc(-c2cc([C@@H](Cl)c3ccccc3)on2)c(Cl)c1	1388045	GXBXXNJQWONIMW-AWEZNQCLSA-N	373.161	5.737	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	96835842	FOJREAYVWSXJRS-PDGQHHTCSA-N	350.824	5.951	50	40	FKGB	
CCCCCCCCCCNCCSSCc1ccc(OC)cc1	104222478	NTLHSAKTYMNOIK-UHFFFAOYSA-N	369.640	6.307	50	40	FKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1	408549633	WAGDENZCYUTULB-ULJHMMPZSA-N	355.440	7.210	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	408552016	RHULEERMFSNXDY-RIWZNOJBSA-N	357.453	6.090	50	40	FKGB	
CC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19832407	UYRPIAODUSCYBR-ZHRRBRCNSA-N	374.871	5.225	50	40	FKGB	
Clc1ccc2oc(-c3ccc(CBr)c(Cl)c3)nc2c1	41127195	DOGGXEUUSZTGBS-UHFFFAOYSA-N	357.034	5.697	50	40	FKGB	
BrC(Br)c1cccc(-c2nc3ccccc3o2)c1	59287802	PMODTUNNNLOOOV-UHFFFAOYSA-N	367.040	5.283	50	40	FKGB	
CC[C@H](C)n1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c2ccccc21	107627661	UXVHAVBCSMFFOB-BQGMYUGNSA-N	354.457	5.861	50	40	FKGB	
C[C@@H](SCc1ccccc1)C(=O)NN=C1CCCCCCCCCCC1	20248463	RHZOEADUDIOYER-LJQANCHMSA-N	374.594	6.085	50	40	FKGB	
CSC1=C(C#N)[C@@H](c2ccccc2)C(C(C)=O)=C(C)N1Cc1ccccc1	67257858	SNBAXFZXASSHAS-JOCHJYFZSA-N	374.509	5.247	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C)c1	4817162	OKMBOKYSNCYXBA-XDHOZWIPSA-N	359.498	6.020	50	40	FKGB	
Cc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1[N+](=O)[O-]	6278627	ZUQGSDKDWTYQAL-UHFFFAOYSA-N	359.470	5.294	50	40	FKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	27024534	WSBBPQJQEWCUBM-NHDPSOOVSA-N	359.212	5.017	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1F	33770585	STYIISHZUGKSDY-AQTBWJFISA-N	363.819	6.122	50	40	FKGB	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)c2sc3ccccc3c2Cl)C1	96444135	VBBQSENYELONPP-HJIPDZNASA-N	358.894	5.573	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2)cc1	108863267	NHZNJCSDBWSZGD-BKUYFWCQSA-N	370.408	5.546	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)c1nc2ccc(F)cc2[nH]1	408569557	OPRAYQRAXMKNLM-VBKFSLOCSA-N	371.440	5.917	50	40	FKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	6828102	INZUVDAWLBUGAG-XNTDXEJSSA-N	374.362	5.038	50	40	FKGB	
CCCCc1ccc2nc(NC(=O)[C@@H](Br)CCC)sc2c1	20132675	WTNNCAWADUPOTA-LBPRGKRZSA-N	369.328	5.141	50	40	FKGB	
O=C(N/N=C/[C@@H]1C[C@@H]2CC[C@@H]1C2)c1sc2cc(Cl)ccc2c1Cl	100531306	UMJXUHFQIOWMBT-XLKYKTDRSA-N	367.301	5.360	50	40	FKGB	
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O[Si](C)(C)C)CC[C@H]12	257437095	HNZDTAXZHUDITM-PYXMZCFHSA-N	360.614	5.738	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc2ccccc12	408568057	RZFVGFWFMLYIJR-XYGWBWBKSA-N	368.436	5.156	50	40	FKGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@@H]1c1ccc(Cl)cc1Cl	19897619	OGIIVGVSHSXRDD-SFHVURJKSA-N	369.251	5.159	50	40	FKGB	
N#CC(C#N)=C1C=C(c2ccccc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]12	96346822	KABBQJMJEIXGSI-ISKFKSNPSA-N	365.480	5.446	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)c(Cl)c1	4827475	AWZCABNWHDEVTE-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	6966832	ZYLZFNZJCIZXCK-WJDWOHSUSA-N	363.804	5.412	50	40	FKGB	
Cn1c2c(/C=C/C=O)c3ccccc3c-2c(-c2ccccc2)c2ccccc21	2654110	GNWLZZHPAIWCGO-OQLLNIDSSA-N	361.444	6.315	50	40	FKGB	
CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21	409230592	ZVFZMPVYECRTMT-LDQQFAMPSA-N	371.484	5.397	50	40	FKGB	
O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@H](Cl)c1ccccc1	575360870	KCRPXPUHHSISHY-CYBMUJFWSA-N	366.688	5.887	50	40	FKGB	
N#C/C(=C\c1ccc(Br)s1)c1nc(-c2ccccc2)cs1	7352557	UUSULDOPEHORNH-XYOKQWHBSA-N	373.300	5.698	50	40	FKGB	
CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)CCl	72399904	RLJUXUGMOYWYGM-IBGZPJMESA-N	362.982	6.001	50	40	FKGB	in-vitro
Cc1ccc([PH](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1	104094218	FZEHKUWGNDIYNU-UHFFFAOYSA-N	368.460	5.221	50	40	FKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	5007559	NTMJPHQHEUUQQY-WOJGMQOQSA-N	360.438	5.108	50	40	FKGB	
O=C(CCl)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1	226327873	JNAONFIHGZGFLW-UHFFFAOYSA-N	362.816	5.339	50	40	FKGB	
N#CC(C#N)=Cc1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1	408921209	ASSHBPDBCODGGA-UHFFFAOYSA-N	363.631	5.656	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC	409201517	LVWNNRJRICWPJC-DHDCSXOGSA-N	372.808	5.110	50	40	FKGB	
N#C/C(=C/c1ccc(I)cc1)c1ccc(Cl)cc1	409365214	YQZZTVIWQJGPOY-LCYFTJDESA-N	365.601	5.009	50	40	FKGB	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2669612	XNEWPCQVVVMALM-UKTHLTGXSA-N	364.228	5.504	50	40	FKGB	
Cc1cc(C(=O)NN=C2CCC(C(C)(C)C)CC2)c(C)n1-c1ccccc1	5656590	JBMPZYDNUHLXFS-UHFFFAOYSA-N	365.521	5.416	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl	408805285	FUVRDPCYIPUTPD-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)[C@@H](C)Cl	2296746	LLQZARSNJQMAPL-SECBINFHSA-N	369.964	5.724	50	40	FKGB	
CN(C)c1ccc(/C=C/C=C/C2=CC(=C(C#N)C#N)c3ccccc3O2)cc1	27515378	LYIZQEXBNOCQBT-FCXRPNKRSA-N	365.436	5.099	50	40	FKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)c2cccc(Cl)c2)o1	408598710	JBLJTBMZFCISQU-QINSGFPZSA-N	363.800	5.451	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1C	6966738	CTZQIJHFOSKTAK-BKUYFWCQSA-N	371.440	5.683	50	40	FKGB	
O=C(N/N=C\c1c(Cl)cccc1Cl)c1ccc(Cl)cc1Cl	34704662	IYBMIUWIGQEZOO-GXHLCREISA-N	362.043	5.064	50	40	FKGB	
N#C/C(=C/c1ccc(Br)cc1)c1ccc(Br)cc1	141395582	GVLMQENCIOMYIC-LCYFTJDESA-N	363.052	5.276	50	40	FKGB	
C[C@@]12CC[C@@H](c3nc4cc5ccccc5cc4nc31)[C@]2(C)CBr	242620142	PUTRYMYPKQATCU-KPOBHBOGSA-N	367.290	5.333	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1Cl	408734784	JUFFRVNZSAYADZ-WUXMJOGZSA-N	365.647	5.501	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	408754671	LCRFALVZUBCGBQ-WQRHYEAKSA-N	367.279	6.465	50	40	FKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)cc1	409391104	HDHORDJPKLHYEH-HAHDFKILSA-N	372.487	6.640	50	40	FKGB	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1	4010129	RECSVLGYMJKOCK-PDGQHHTCSA-N	356.425	6.167	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1O	7156651	IWNRDJYSPJVYIE-KPKJPENVSA-N	356.834	5.118	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3)c2C)cc1	59335119	YCBJKUMTYMPPOP-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(Cl)cc1	59383069	ZIYZNMOVKAYRFW-UDWIEESQSA-N	367.301	5.016	50	40	FKGB	
CCCCCCCCCCCCCCCCC[S@](=O)[S@@](=O)O	104061850	GMVXIVZTTSHRTH-NRFANRHFSA-N	352.606	5.743	50	40	FKGB	
COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl	408568011	RLEFFCZFSZGNPX-WMZJFQQLSA-N	362.191	5.082	50	40	FKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	408922109	DEDYYHAJYKNGTN-DHZHZOJOSA-N	365.647	5.501	50	40	FKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1	33406332	OVMDEKOCIHLIKD-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
C/C(=N\NC(=O)c1cc(C)oc1C)c1ccc(Cl)c(Cl)c1Cl	5415463	NXJOMQUITRDTFB-UFWORHAWSA-N	359.640	5.011	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1F	33779490	YCUXSIYGYCGKFC-AQTBWJFISA-N	374.371	5.377	50	40	FKGB	
CCCCCCCCCCCC(=O)N/N=C/c1cc(OC)ccc1OC	97965885	ZCHYGNXEGZRYIL-OQKWZONESA-N	362.514	5.075	50	40	FKGB	
CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC(=O)C1	953000563	GCTHTFYQPGKSCG-UHFFFAOYSA-N	358.671	5.379	50	40	FKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccc(Cl)cc1Cl	2278015	DSDHSSXEUFPRDM-HNNXBMFYSA-N	373.264	5.426	50	40	FKGB	
CC[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C(C)\C=C\c1ccccc1	4619245	COGKFFWRYJNQPD-YNLKCIHSSA-N	371.484	5.236	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2s1	5129944	KZQSQTJEVKHDBK-SDNWHVSQSA-N	373.393	5.529	50	40	FKGB	
CC1=C(C/C=C(C)\C=N\NC(=O)c2ccc(Cl)cc2)C(C)(C)CCC1	5426530	JEIANLZZDXMDLD-WNZUDGBKSA-N	358.913	5.919	50	40	FKGB	
CC(C)[C@H](Br)CC/C(CBr)=C(/Cl)CCl	104311007	UXRINMVIUVVTLH-URLRMUCDSA-N	366.952	5.313	50	40	FKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	4814129	SGPBSVJHRWZFIA-NHDPSOOVSA-N	359.212	5.017	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1nc2ccccc2[nH]1	6554164	AOJJOPAGBFRGSW-RGEXLXHISA-N	351.409	5.206	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	33339674	QWSZVVOBNZBPCP-UVTDQMKNSA-N	350.761	5.572	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	59137143	PXVFLYGHUJRVJS-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc4ccccc4c3)o2)cc1	408548280	FRDGIALSGNKWHJ-HAHDFKILSA-N	363.416	6.367	50	40	FKGB	
C#CCn1cc(/C=C(\C#N)c2ccc(Br)cc2)c2ccccc21	408580227	NDFJNNMSHMXJGP-FOWTUZBSSA-N	361.242	5.101	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)c1C	408804696	GRLPEQFXNYRXQH-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
CC/C(=N\NC(=O)CNc1ccccc1C)c1ccc(-c2ccccc2)cc1	15133305	WZGKNQFWOCVLAI-XTCLZLMSSA-N	371.484	5.004	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc4ccccc4c3)c2C)cc1	408548547	INBFUALZLVGDMU-PCLIKHOPSA-N	362.476	6.620	50	40	FKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1	2162470	MKWKGXVTSVAVGY-MFKUBSTISA-N	370.452	5.647	50	40	FKGB	
N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2)cs1	2203152	BDHKLUWFYIYNFS-FMIVXFBMSA-N	373.815	5.718	50	40	FKGB	
CC(C)(CCl)c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1	2383538	XWEXWCICFQYLST-UHFFFAOYSA-N	372.696	5.291	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1ccc(C(F)(F)F)cc1	33411140	UPHMZZZLDGDWAU-QINSGFPZSA-N	371.383	6.514	50	40	FKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	33681080	FDTHUFSHJNXHPK-QJOMJCCJSA-N	366.464	5.503	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1OC	35145339	IXOWULKMVGIVRN-GXDHUFHOSA-N	368.483	5.360	50	40	FKGB	
O=C(CCCCCBr)c1ccc(Br)cc1Cl	309384105	AEFWWDBRGLAIOP-UHFFFAOYSA-N	368.496	5.241	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)cc1	59137881	PBGJPWANVCLZOL-LGMDPLHJSA-N	374.465	5.593	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c2ccccc12	408798115	UJFVIJRLTXAKBW-XMHGGMMESA-N	370.452	5.401	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)o1	409210298	JWKWSKFYVCXIOW-GDNBJRDFSA-N	364.788	5.881	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2)cc1	409355937	FMWPYXMBEIWMEC-STZFKDTASA-N	359.856	6.292	50	40	FKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2cccs2)[C@H]1c1cccs1	1032142	BCDUJGCUCBHRLL-DPCFLFMUSA-N	352.484	5.139	50	40	FKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)o1	13302637	VRQQTCSKMNXBAW-WUXMJOGZSA-N	361.253	6.083	50	40	FKGB	
Cc1cccc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1	35168691	ODONOONALQCHIT-FYJGNVAPSA-N	358.510	6.381	50	40	FKGB	
N#C/C(C(=O)c1cccc(Oc2ccccc2)c1)=C1/Nc2ccccc2S1	100812864	BQJBXMWCYFXAGY-RELWKKBWSA-N	370.433	5.615	50	40	FKGB	
Cc1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c(C)n1C1CC1	98055038	ZVVCHBCZXPBVNT-NTEUORMPSA-N	359.256	5.537	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)c(C)c1	2283327	GQOHDEDFVRZSCW-QGOAFFKASA-N	373.525	6.527	50	40	FKGB	
CC[C@@H](C)c1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1	20133421	WRWBADZKIWILNK-YGRLFVJLSA-N	369.328	5.168	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1	33378032	HTCYOILXOPNEIP-YBEGLDIGSA-N	369.262	5.118	50	40	FKGB	
CC(C)(C)c1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1	2775239	XTRRHYCQVOORPP-UHFFFAOYSA-N	355.434	5.409	50	40	FKGB	
CCOC(=O)/C(C#N)=C/C=C(\Nc1ccc(C)cc1)c1ccc(Cl)cc1	16682010	KCFAKRUKYXYICG-NASAAYCPSA-N	366.848	5.115	50	40	FKGB	
O=C(Cl)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	2386309	ZLWMGDNHFWGWLW-UHFFFAOYSA-N	352.817	5.224	50	40	FKGB	
Cc1cc(/C=C(\C#N)C(=O)OC(C)C)c(C)n1-c1cccc2ccccc12	3324151	QJFUFEOZWTZUPK-DEDYPNTBSA-N	358.441	5.106	50	40	FKGB	
N#C/C(=C\c1c(OC(F)F)ccc2ccccc12)c1nc2ccccc2[nH]1	7000909	CXEANLCQPILOAX-SDNWHVSQSA-N	361.351	5.382	50	40	FKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)F	98210396	RKYSBDNZLYNDRW-QMMMGPOBSA-N	358.132	5.348	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)cs2)cc1	948303	VIIVISAZUOYXLJ-XDHOZWIPSA-N	373.481	5.479	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cccc([N+](=O)[O-])c1	33803992	LWYHJWRGYIVVCW-BOPFTXTBSA-N	361.376	5.206	50	40	FKGB	
N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1	4063805	OIEDPYNLZUODJV-GHRIWEEISA-N	371.440	6.079	50	40	FKGB	
FC(F)(F)c1cc(/C=C/c2noc(CCl)n2)cc(C(F)(F)F)c1	4277458	ZELCQHTUHQJRCV-OWOJBTEDSA-N	356.653	5.016	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1cccc(C#N)c1	408567913	QJTUPMMLUVLIDJ-BKUYFWCQSA-N	370.839	5.855	50	40	FKGB	
C(=C/[PH](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1	104133451	JGUNCOCENASSJK-QURGRASLSA-N	366.444	5.384	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2C(C)=CC1(C)C	208506192	SOYPFUPUUSFNCK-ODLFYWEKSA-N	362.904	6.426	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C(C)(C)C)cc2)cc1	1912784	FOCRURVEWGOKLW-OBGWFSINSA-N	363.457	5.285	50	40	FKGB	
COc1cc(/C=C(\C#N)c2cc(-c3ccco3)cs2)cc(OC)c1OC	4540102	CREOQKNQFWCGIS-VGOFMYFVSA-N	367.426	5.098	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)c1	252499980	SKWLROCJBDICKR-GXDHUFHOSA-N	364.351	5.079	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1cccc(F)c1	408875651	GSELJTZANULPNY-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	2026582	CTUUUEPEALASBB-FOWTUZBSSA-N	362.816	5.454	50	40	FKGB	
COC(=O)CCCCCCCCCCCCCCCCBr	15443131	XSHXLJQWLPXKRC-UHFFFAOYSA-N	363.380	6.406	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)cc1Cl	409019617	JZGWKYPVVUYHNX-SRMCNWIXSA-N	373.884	5.290	50	40	FKGB	
CC/C(=N\NC(=O)c1cc2c(s1)CC[C@H](C)C2)c1cccc(Cl)c1	16043619	BXYVMQJOLGXNLO-UGVXJAHZSA-N	360.910	5.070	50	40	FKGB	
CCCC[C@H](Br)C[C@](F)(Cl)C(F)(F)Br	71613982	VHDQJFOCARQXPL-NKWVEPMBSA-N	360.439	5.223	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Cl	409046269	JSCJXWRCTFBFJZ-MDWZMJQESA-N	371.223	5.764	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2ccc3c(c2)OCO3)cs1	11612187	NMGWUDZLNGJZDC-AUWJEWJLSA-N	366.829	5.256	50	40	FKGB	
CSS(=O)(=O)CCCCCCCCCCCCCCCC(=O)O	105433732	JTQCRDHNBYEALV-UHFFFAOYSA-N	366.589	5.225	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)cc2)cc1	408583005	QSRRJPQLACEWGF-PXLXIMEGSA-N	355.437	5.647	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1cccc(C(F)(F)F)c1	408764870	NNRMRDBNMUOYNS-QINSGFPZSA-N	371.383	6.514	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1	1685391	WLCPJJHSEPUWAK-RYUDHWBXSA-N	354.085	5.825	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	3322581	MDBDHRVULBQURO-XSFVSMFZSA-N	372.855	5.861	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1Cl	15225296	CSRSYTWGUNHQQA-YVMONPNESA-N	357.649	5.254	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl	408581357	WIOIFILSFASSKM-MDWZMJQESA-N	364.659	6.276	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c2ccccc12	408744490	LONIQDFSRFSHIU-JXAWBTAJSA-N	356.425	5.093	50	40	FKGB	
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)[C@H]1CC12CCC2	4587783	IIWWYVKXMVNAJG-QKDKALHBSA-N	356.469	5.076	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)c1	4645172	IFETZJOFJYQXTM-VBKFSLOCSA-N	362.816	5.454	50	40	FKGB	
CC(C)CCOc1ccc(CN(CCCl)CCCl)cc1Cl	4697670	UPTCCIMHOFHRQN-UHFFFAOYSA-N	352.733	5.045	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1O	408579708	JRZMISIOTZTTAK-ONNFQVAWSA-N	354.620	5.425	50	40	FKGB	
CC[C@@H](C)Oc1ccccc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409023029	BEONLJDQLYSBAQ-IKTNTUJMSA-N	370.836	5.027	50	40	FKGB	
CCO[Si](OCC)(OCC)c1c(C(C)C)cc(C(C)C)cc1C(C)C	575182288	WRFIGCBKDIUXII-UHFFFAOYSA-N	366.618	5.312	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c2ccccc12	6187275	NMRNVWPYXHBDNV-LGMDPLHJSA-N	353.425	5.487	50	40	FKGB	
CC/C(=C(\c1ccccc1)c1ccc(OCCCl)cc1)c1ccccc1	33827037	GWAJMDNEUFHRBV-VHXPQNKSSA-N	362.900	6.673	50	40	FKGB	in-vitro
ClCc1ccc2nc(-c3cc(Br)ccc3Cl)sc2c1	73635381	XMBKZQNPKBDGQU-UHFFFAOYSA-N	373.102	6.118	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	108207838	GMTXKCDTSMCNQY-QNGOZBTKSA-N	368.436	5.120	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)cc1C	6478044	MKKVNNRHHAYEFB-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
Cc1ccc(S[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)Cl)cc1	98049004	ORRAEIPFNOZQLE-INIZCTEOSA-N	374.720	5.300	50	40	FKGB	
CCOc1cc(C)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1C(C)C	408551593	OHPVLEZQERJUHW-UCQKPKSFSA-N	355.481	6.735	50	40	FKGB	
COc1cccc(-n2c(C)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1	409217417	ULVYMOYTYQSFDC-XDHOZWIPSA-N	373.412	5.075	50	40	FKGB	
CCC/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(Cl)s1	17076185	BCSIBTMOKRKNEC-CJLVFECKSA-N	371.893	5.192	50	40	FKGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(Oc2ccccc2)cc1	17216182	WLOCKJZLPKCIBI-RGEXLXHISA-N	357.346	5.609	50	40	FKGB	
O=[N+]([O-])c1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2Br	1662424	LEWZDNGSWRPYHA-ZDUSSCGKSA-N	359.006	5.366	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2)cc1	59335753	HWXZAXWKKZAIMP-QNGOZBTKSA-N	368.436	5.120	50	40	FKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	408788369	JSUOIOOHTPYLLB-WUXMJOGZSA-N	365.647	5.501	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)c1C	408805688	BSINQAFINLIWPU-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)c1cccc([N+](=O)[O-])c1	1071290	RVWYOIYRZANWHV-YBFXNURJSA-N	374.371	5.377	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(F)c1	4738866	IPASWXFBRBMLGT-BOPFTXTBSA-N	356.404	5.174	50	40	FKGB	
CCCCCCSCCOCCO[C@H](C)[C@@H](Cl)CCCCC	5418289	DZLFLEUUQTVQSN-MSOLQXFVSA-N	353.012	5.909	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OC(C)=O	6354935	WSAAJZSSARZODR-UYRXBGFRSA-N	357.409	5.228	50	40	FKGB	
COc1ccccc1/C=C(\C#N)c1nc2cc(C(F)(F)F)ccc2s1	22608517	UKANKXIQTKHYND-XYOKQWHBSA-N	360.360	5.388	50	40	FKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc21	208436747	WSTJYYMPSPSZHU-UNOMPAQXSA-N	371.484	5.172	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cccc(C(F)(F)F)c1	408962658	JAEZKKUYYNYGQY-AFUMVMLFSA-N	368.358	5.136	50	40	FKGB	
CCCCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	4616686	LRWSCNZNBBASBY-KGENOOAVSA-N	358.510	6.525	50	40	FKGB	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1C	7164649	OSZMAUGANWCZGX-OQLLNIDSSA-N	359.256	5.464	50	40	FKGB	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)c1nc(-c2ccccc2)cs1	53106070	YSIIMLDRBPDRHT-ODLFYWEKSA-N	366.449	5.331	50	40	FKGB	
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCBr	90627456	NKQVCBRVKYHATC-KUBAVDMBSA-N	363.383	7.469	50	40	FKGB	in-vitro
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408802872	IPLKJTLVYIHCMT-GXDHUFHOSA-N	373.239	5.104	50	40	FKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccccc2)c1	409044229	UPYMKNOHVJRLIR-RCCKNPSSSA-N	368.436	5.077	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	1453263	QWSZVVOBNZBPCP-GXDHUFHOSA-N	350.761	5.572	50	40	FKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](C=C[C@H]3Cl)[C@@]1(Cl)C2(Cl)Cl	226443474	FRCCEHPWNOQAEU-HPDAZQCGSA-N	373.321	5.242	50	40	FKGB	in-vitro
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc(Cl)c1	408598961	MGDILSWKUYITOM-RVDMUPIBSA-N	350.761	5.572	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(OC)cc2C)cc1	408791678	ARZZPQXNVHZWND-XDHOZWIPSA-N	362.473	5.235	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc2c(c1)OCO2	5986609	KAUGMAJVCAJKOC-YVLHZVERSA-N	360.388	5.026	50	40	FKGB	
CCCCCCOc1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1	12800643	KHMMMSPXEIKDNK-OBGWFSINSA-N	373.456	5.359	50	40	FKGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)CNc1cccc2ccccc12	15938937	FCDZGZBAHXPHJB-FZTJMSIRSA-N	369.468	5.013	50	40	FKGB	
O=P(C(=S)Nc1ccccc1Cl)(c1ccccc1)c1ccccc1	1766790	ZPHUBLFAASIMJE-UHFFFAOYSA-N	371.829	5.051	50	40	FKGB	
COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCCOc1ccccc1	4196585	KXADLWRCBBBWGB-PGMHBOJBSA-N	371.436	5.217	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc2ccccc12	5777314	XOFVFMQWBAOCCB-WPWMEQJKSA-N	374.443	5.910	50	40	FKGB	
C/C(=N\NC(=O)CSCc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	59473683	QCRRYBAYIGMSIE-HAVVHWLPSA-N	368.546	5.066	50	40	FKGB	
BrCc1cccc2cc3cccc(CBr)c3nc12	100191978	ASXLPHROGIDRQN-UHFFFAOYSA-N	365.068	5.178	50	40	FKGB	
N#C/C(=C\C1CCC(OCC2CCCCC2)CC1)C1CCC([N+](=O)[O-])CC1	1735502	MUYLZPDPEDRRGZ-XSFVSMFZSA-N	374.525	5.428	50	40	FKGB	
CCCCOP(=O)(C#CC(C)(C)OOC(C)(C)CC)OCCCC	2317292	TUJOGSCSORARFP-UHFFFAOYSA-N	362.447	5.689	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(C#N)c1	34856025	HNRWRCGNIOJWDT-DHDCSXOGSA-N	365.219	6.189	50	40	FKGB	
Cc1c2ccccc2c(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc12	408998914	JJCDMXXDXBMALQ-SDXDJHTJSA-N	362.432	5.847	50	40	FKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	9200982	QCJDDHFNENSNLB-WYMPLXKRSA-N	372.346	5.038	50	40	FKGB	
O=C(Cl)c1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Cl	41127227	YSOONRDHNMWQDM-UHFFFAOYSA-N	361.011	5.834	50	40	FKGB	
N#C/C(=C/c1c[nH]c2ccccc12)c1nc(CCCBr)cs1	6846934	MOXYEXVHJDYBNP-WQLSENKSSA-N	372.291	5.016	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1F	6896665	CRDKDIZMHVQEIT-RGEXLXHISA-N	352.412	5.893	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3c(s2)CCCC3)c(C)n1-c1ccccc1	12524728	CLVOFWFZXSUHDM-QGOAFFKASA-N	359.498	5.494	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)c1ccc([N+](=O)[O-])cc1	33347207	JQNIHCQZEXTMQH-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Cl	107803071	VNXANEOZFWLEKM-WJDWOHSUSA-N	363.804	5.412	50	40	FKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(Cl)c1	111479923	QTYVASIUGSUPJN-YVLHZVERSA-N	368.864	5.022	50	40	FKGB	
COc1ccc(/C=C/C(=O)Cl)cc1OCc1ccc(Cl)cc1Cl	217705761	RWJQIUINGQXBEN-XVNBXDOJSA-N	371.647	5.360	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408567300	LKPOYIZDIMQFMV-PTNGSMBKSA-N	357.388	5.318	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C(C)C	408798756	WVZUARQEXCPEGE-MHWRWJLKSA-N	368.864	5.326	50	40	FKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408811997	KYHKYJDQANAOEY-OYGDSYQHSA-N	363.244	5.075	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(C(=O)O)c1)c1ccccc1	409045042	XULZHMJMXBMRFT-MOSHPQCFSA-N	355.393	5.028	50	40	FKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2sccc2C)nc1-c1cccs1	4318590	CGLWWUHFBLOGQE-XYOKQWHBSA-N	371.512	5.264	50	40	FKGB	
C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C(C)(C)C)cc1	5612656	JTQQUKIAKXAIKY-BUVRLJJBSA-N	352.522	5.041	50	40	FKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	13586147	ZVOSIJFOQKOVBH-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1cccc(C(F)(F)F)c1	33746676	GXKUKBKWGOAEAJ-YVLHZVERSA-N	374.381	5.817	50	40	FKGB	
Cc1c2ccccc2c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@]32C)c2ccccc12	408726637	UKECVPFTVCHFPO-JSXSKEOQSA-N	370.496	5.578	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Cl)n2)cc1	5350585	QGBCVIRJTYEEGD-GDNBJRDFSA-N	352.846	5.536	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	1096849	BQWDYASSFUELSZ-HMMYKYKNSA-N	362.432	5.847	50	40	FKGB	
COc1cc(N=C=S)c(C(c2ccc(C)o2)c2ccc(C)o2)cc1OC	4267980	ROOVMQGXSIKQHN-UHFFFAOYSA-N	369.442	5.421	50	40	FKGB	biogenic
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccccc2F)cc1OC	107599095	JATDNMJOETVQNO-GRRFOWRYSA-N	359.828	5.729	50	40	FKGB	
CCCn1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c2ccccc21	408541829	FCPIXWIOBKVTHJ-ATVHPVEESA-N	354.457	5.609	50	40	FKGB	
N#C/C(=C/c1ccccc1I)c1cccc(Cl)c1	107571907	GMNQUUMTQOMVJO-JYRVWZFOSA-N	365.601	5.009	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)cc(C)c1OCc1ccc(F)cc1	408852754	WDYUCJFWEMFDGW-HYARGMPZSA-N	357.428	6.086	50	40	FKGB	
N#C/C(=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1	409246370	HKBSOCLIFKHUNN-HMAPJEAMSA-N	352.412	5.893	50	40	FKGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cccc(F)c1	409389118	AKTBGWVBMRTESF-PTNGSMBKSA-N	356.322	5.699	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl	3034695	XOAMKBFDQVIGPK-SRZZPIQSSA-N	359.212	5.017	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(F)c2)o1)c1nc(-c2ccco2)cs1	4291956	KMWOORSSTKYTIJ-GXDHUFHOSA-N	362.385	5.866	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc(O)c2ccccc2n1	4453268	QJEDFHABQPKXSW-ACCUITESSA-N	373.799	5.313	50	40	FKGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c1OC	17051812	QNMFKMKUOUMHGY-BOPFTXTBSA-N	362.454	5.200	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(F)c3)n2)cc1C	100843684	ZDUGRMLCUCAOKJ-GZTJUZNOSA-N	363.461	5.851	50	40	FKGB	
COc1ccc(-c2onc3cc(S(F)(F)(F)(F)F)ccc23)cc1	103862671	VEADHSKYYIWTRP-UHFFFAOYSA-N	351.296	6.161	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	208190498	IJVPCHCAUWNIOP-LSPINASFSA-N	373.500	5.263	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	408578593	ABBPNRUDKQIBRS-MHWRWJLKSA-N	374.267	6.021	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c1	858304	IFETZJOFJYQXTM-FOWTUZBSSA-N	362.816	5.454	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1	5214360	WGBUKVGCGSRIHG-FOWTUZBSSA-N	362.816	5.454	50	40	FKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC(C)C	33853382	ZQZXLCQLUOJEGL-CHHVJCJISA-N	372.808	5.108	50	40	FKGB	
CC1=C(C#N)C(/C=C(\Cl)c2ccc(Cl)c(Cl)c2)C(C#N)=C(C)N1	35193521	WLBHLJQYSGHQSF-SOFYXZRVSA-N	364.663	5.388	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)cc1Cl	1071296	ZMGQYOHUUPZMAH-AWNIVKPZSA-N	363.200	5.364	50	40	FKGB	
CC(C)(C)c1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(C(C)(C)C)c1O	6210647	ZVUIPUIDHPOSSC-LFIBNONCSA-N	373.500	5.928	50	40	FKGB	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1	17212302	SFIXTJGUMGRISS-STZFKDTASA-N	369.420	5.064	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1F	1112392	URDQXRRPZXWOFX-LDADJPATSA-N	361.376	5.206	50	40	FKGB	
CCn1c(/C(C#N)=C/c2cccc(Oc3ccccc3)c2)nc2ccccc21	5009190	SWSBXDVFXZKKKJ-XDJHFCHBSA-N	365.436	5.913	50	40	FKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	83327510	BYHASLARHVJFTJ-JJFYIABZSA-N	373.239	5.326	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl	408935367	DOMMATVWNJXMMM-QGNWGPJTSA-N	370.836	5.027	50	40	FKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1C(C)C	409051884	NZKCRVXMSUXWRI-FSJBWODESA-N	372.896	5.243	50	40	FKGB	
O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H](Cl)c1ccccc1	3269803	BLZPMFMEVCHTRJ-OAHLLOKOSA-N	364.804	5.007	50	40	FKGB	
N#CC(C#N)=Cc1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1	4615853	NCGZENFXHOFXPD-UHFFFAOYSA-N	372.468	5.623	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	2390418	RWWJQPBYPWAAPY-KPKJPENVSA-N	353.046	5.820	50	40	FKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc3ccccc3o2)cs1	5603030	HARHRDCQVFUYET-OQLLNIDSSA-N	373.393	5.529	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1C	15012267	ORUNVOXZRAPXOL-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2s1	35079527	KHUMEYHNMKYCIS-NTCAYCPXSA-N	374.490	6.115	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)cc1Cl	408598553	DFJIGQMJRXKPAT-YBEGLDIGSA-N	354.236	6.626	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c2ccccc12	408797447	ROUURKVXMHCTQT-XMHGGMMESA-N	370.452	5.401	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1F	33416756	ANTDBJYEOUTMCJ-UKTHLTGXSA-N	358.199	6.457	50	40	FKGB	
C[Si](C)(C)CN=P(c1ccccc1)(c1ccccc1)c1ccccc1	195758640	HXFNJCFDSILQPQ-UHFFFAOYSA-N	363.517	5.042	50	40	FKGB	
CCCCCCCC(=O)SCCC[Si](OCC)(OCC)OCC	196212391	JPPLPDOXWBVPCW-UHFFFAOYSA-N	364.624	5.045	50	40	FKGB	
C#CCn1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	408586564	NWOPTGSQGLJLRH-XNTDXEJSSA-N	351.236	5.645	50	40	FKGB	
N#C/C(=C/c1cccc(Br)c1)c1ccc(Cl)c(Cl)c1	408588911	XCNRDLVRCMAVMS-SDQBBNPISA-N	353.046	5.820	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C)c1	6415169	JJCNCIVLTSZSML-LDADJPATSA-N	359.498	6.020	50	40	FKGB	
C#CCn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21	408599616	XNEVAGVXAVCAJE-DTQAZKPQSA-N	368.465	5.116	50	40	FKGB	
COc1ccc2nc(/C(C#N)=C\c3cccc(Oc4ccccc4)c3)[nH]c2c1	409392041	NHSSKRUETPNEOW-ATVHPVEESA-N	367.408	5.428	50	40	FKGB	
CCC(C)(C)C1CCC(=NNC(=O)c2ccccc2Br)CC1	4962614	LEJMYVCFRAXARN-UHFFFAOYSA-N	365.315	5.161	50	40	FKGB	
N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(F)c1	12950847	DHRHFDZEHNDWHW-SDNWHVSQSA-N	361.401	5.510	50	40	FKGB	
Cc1ccc(C(=O)N/C(C#N)=C(\Cl)Sc2ccc(Cl)cc2)cc1	19898466	SCDMPTXQWIFIQQ-FOCLMDBBSA-N	363.269	5.102	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@H]2[C@H]3CCCC[C@]23C)o1	100377393	ZUYXGPDRKZIGCF-RSLVCRIZSA-N	370.880	5.185	50	40	FKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2ccc(Cl)cc2)o1	2855081	GKBHCBUXFPTAOE-NTCAYCPXSA-N	363.800	5.451	50	40	FKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccccc2F)o1	6170161	YDQQMEBNLPWVKW-RAXLEYEMSA-N	364.332	5.067	50	40	FKGB	
CCCOc1ccc(C23CC(C[C@@H](C)C2)C[C@@H](C)C3)cc1C=C(C#N)C#N	19597131	DPHVQGWCALBMCP-BFWSRPDNSA-N	362.517	6.010	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)c1ccc2ccccc2c1	408551967	QCRWIIFQDSSSAZ-QNGOZBTKSA-N	364.404	5.393	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(F)c1	409390466	FQFXJHQGDPPEAI-UNOMPAQXSA-N	370.402	6.032	50	40	FKGB	
Cc1ccc2c(c1)N(C(=O)CCl)C(C)(C)c1ssc(=S)c1-2	851502	BWKOVCHHXPTRPR-UHFFFAOYSA-N	355.937	5.335	50	40	FKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1Br	16226530	JCULUKOLJXSNEL-XYOKQWHBSA-N	371.259	5.132	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408531963	NCIASSCGIUJLPY-RVDMUPIBSA-N	372.827	5.204	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1	1188600	BERIAIIDEODYTF-CPNJWEJPSA-N	373.431	5.087	50	40	FKGB	
O=C(CBr)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	1622196	YAFUGROKNUFPGD-UHFFFAOYSA-N	360.638	5.133	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc2ccccc12	6496611	RKYRLEPWIMRXKQ-JXAWBTAJSA-N	366.376	6.072	50	40	FKGB	
C#CCOc1ccc2ccccc2c1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1	33635252	KHHDEQFZTVFLIJ-JXAWBTAJSA-N	363.420	5.101	50	40	FKGB	
CCCCC[C@H](C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104190516	FQAYIDSGHXGFPM-QFIPXVFZSA-N	362.497	5.682	50	40	FKGB	
CCCCCCCCCCCCCCCCC/C=C1/CC(=O)OC1=O	104355741	ANGNOQTWNFQFLI-ZZEZOPTASA-N	350.543	6.648	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)c1	408883006	PYEBDIASVCEOLC-KGENOOAVSA-N	370.427	5.271	50	40	FKGB	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cl)c1ccccc1	575360830	JCLFZVPDZDUYKP-CYBMUJFWSA-N	366.688	5.887	50	40	FKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C[C@@H](Br)C2=O	34304688	JKZATLFLGWQFKU-ZLOBMTTQSA-N	353.344	5.362	50	40	FKGB	
Cc1ccc(N[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104111310	OSBBUGGHTQVHBT-UHFFFAOYSA-N	368.440	5.316	50	40	FKGB	
N#C/C(=C/c1ccc(Br)cc1)c1ccc(Cl)c(Cl)c1	408588283	VKVLPJBAWCZTML-GHXNOFRVSA-N	353.046	5.820	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2cccc(Cl)c2)cc1Cl	409016298	TUAPGYOAQBFWDP-WJDWOHSUSA-N	353.252	6.157	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)c1cccc(Br)c1	409098646	QYYBBPVMQNPEFE-ZSOIEALJSA-N	362.654	5.565	50	40	FKGB	
Cc1c(Cl)cccc1/N=N/c1ccc(N(CCCl)CCCl)cc1	4774347	BXYMBLZAOWVYJL-QURGRASLSA-N	370.711	6.348	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nc2ccccc2c(=O)[nH]1	12618547	IPMQBGFOXNSARU-NBVRZTHBSA-N	373.415	5.294	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Br)cc1	33410049	MFGSTVBIJYRUEN-WJDWOHSUSA-N	369.262	5.118	50	40	FKGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl	408578804	BBTADZPCMRZGIO-MDWZMJQESA-N	362.643	5.723	50	40	FKGB	
CC(C)c1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C(C)C)c1O	408850619	PPISVMIQDSXIBL-AFUMVMLFSA-N	374.484	5.556	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	5069101	SAMRTCNOCBIUMH-KGENOOAVSA-N	368.436	5.120	50	40	FKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)cc1	408599749	ZGOAESBYCOQOEC-ATVHPVEESA-N	363.800	5.451	50	40	FKGB	
Br[C@H]1Cc2ccccc2[C@@H](Br)Cc2ccccc21	1580927	JFWMKAUXLFFZTQ-HOTGVXAUSA-N	366.096	5.357	50	40	FKGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl	6240169	FFJYZHLKKUKTLU-RMKNXTFCSA-N	369.610	5.332	50	40	FKGB	
CCn1c2ccccc2c2cc(NC(=O)/C(C#N)=C\c3ccccc3)ccc21	6549857	VRSXHTXAZQEEFI-JXAWBTAJSA-N	365.436	5.360	50	40	FKGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	33409797	XNOUESHWJMVGKE-LCYFTJDESA-N	369.346	5.041	50	40	FKGB	
Cc1cc2c(cc1/C=C(\C#N)c1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C	223599465	FNBOMKZNFWUDTF-MEGCXXLRSA-N	358.529	6.560	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	408792212	JPJQHGFHQLGHFH-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1cccc(C(F)(F)F)c1	408856620	QPRNPZKANWEWKB-QINSGFPZSA-N	372.777	6.214	50	40	FKGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	1098380	PEJQHHBDNUECRL-YRNVUSSQSA-N	356.212	5.020	50	40	FKGB	
CC[C@H](C)c1ccc(OC[C@@H](C)N(CCCl)Cc2ccccc2)cc1	1673609	SMNXUXPCNDJJAJ-RBUKOAKNSA-N	359.941	5.708	50	40	FKGB	
BrCc1ccc2ccc3ccc(CBr)cc3c2c1	3132172	YKIXTNAKDSOAPT-UHFFFAOYSA-N	364.080	5.783	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1	13739276	XNUVXMLAWHWCJS-ZROIWOOFSA-N	357.265	6.181	50	40	FKGB	
CC1=C(C#N)C(/C=C(/Cl)c2ccc(-c3ccccc3)cc2)C(C#N)=C(C)N1	71416807	KGJDMCBMQDGULK-FSJBWODESA-N	371.871	5.748	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2[C@@H](C)CC1(C)C	223536005	AQLSYHPVTNNWHW-JIHKLPAASA-N	370.500	5.739	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC	408582196	MJSATGNRQSBLEC-GZTJUZNOSA-N	369.848	5.376	50	40	FKGB	
Cc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccccc4)n3n2)cc1	1775976096	OIFQVLQMBBHWTK-UHFFFAOYSA-N	369.255	5.243	50	40	FKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc(F)cc1	1076458	JPLOIFKFJQVIRX-SDNWHVSQSA-N	355.821	6.287	50	40	FKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	5777338	IDDHBUFDBLVHDQ-XNTDXEJSSA-N	367.235	5.692	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C/c3cn(C(C)C)c4ccccc34)[nH]c2cc1C	6626821	XWVOLNWIEMSPRM-GZTJUZNOSA-N	354.457	5.780	50	40	FKGB	
CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19818117	ZWACPOASERSGFC-VGOFRKELSA-N	374.871	5.225	50	40	FKGB	
FC(F)(F)c1ccc(P(Cl)c2ccc(C(F)(F)F)cc2)cc1	100009658	PBLUOOURLNAOAJ-UHFFFAOYSA-N	356.633	5.311	50	40	FKGB	
C[Si](C)(C)O[C@@H](c1ccccc1)C(F)(F)n1ccnc1-c1ccccc1	223063726	NOGQOZDMBKVNAQ-SFHVURJKSA-N	372.491	5.692	50	40	FKGB	
CC(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C(C)C)c1O	408857427	UZPDNHWZYKITPF-CXUHLZMHSA-N	366.436	5.324	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1cccc(C(F)(F)F)c1	409014422	POXQGIGZJWFDHH-PTNGSMBKSA-N	357.306	6.169	50	40	FKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1	4996069	YQXXELCQAWUVDT-XNTDXEJSSA-N	356.372	5.893	50	40	FKGB	
N#C/C(=C\c1ccccc1Sc1ccccc1)c1nc2ccc(F)cc2[nH]1	408566702	AYRZTDXWRWWNSQ-FOWTUZBSSA-N	371.440	5.917	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1	408580963	FJTUJNZSBUXCJL-MHWRWJLKSA-N	357.837	5.210	50	40	FKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408801313	VDJBYXYWVCWAQE-OYGDSYQHSA-N	363.244	5.075	50	40	FKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1C	408804919	CIBUMAQWXZEPJF-XDJHFCHBSA-N	368.436	5.259	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1	4342262	RQQVDPXUXWKHRD-XSFVSMFZSA-N	365.436	5.515	50	40	FKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2cccs2)nc1-c1ccc(C)cc1	5042733	IYMNTTWPKCJEAA-XNTDXEJSSA-N	365.483	5.203	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1nc2ccccc2s1	5777541	BONVKWLVTVNASZ-RVDMUPIBSA-N	372.405	5.319	50	40	FKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408806382	MVOWCWLZVZQBBU-ZWSXMNCCSA-N	363.244	5.075	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1	949394	WFFLHEUTYISJFT-XNTDXEJSSA-N	350.761	5.572	50	40	FKGB	
O=C1[C@H](Cl)N(c2ccc(Cl)cc2Cl)[C@H]1c1c[nH]c2ccccc12	5594157	YDRUBTPXMIELJK-DOTOQJQBSA-N	365.647	5.170	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	6455914	KWSPPLPSVKZHQK-NTEUORMPSA-N	354.331	5.285	50	40	FKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(C(C)C)cc3)sc2c1	33650792	NAJOIUVLCZWNTR-JJFYIABZSA-N	370.905	5.750	50	40	FKGB	
N#C/C(C(=O)c1ccc(Cc2ccccc2)cc1)=C1/Nc2ccccc2S1	100813480	WTGUQOLWLKVJBY-FCDQGJHFSA-N	368.461	5.413	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OC	209488007	ZWYLOJGPZGWPTP-CXUHLZMHSA-N	372.262	5.229	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)o2)cc1	408858546	TTWRIXREXQXRCB-SSZFMOIBSA-N	360.438	5.285	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccs1	855747	GTJKCBDMZMIXMA-DJKKODMXSA-N	365.241	5.079	50	40	FKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2	3909347	GRGMNOOVHXLEGA-PCLIKHOPSA-N	374.484	5.145	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)c3ccccc23)cc1C	5485146	OEKNLZOUOCQKTI-LDADJPATSA-N	357.457	5.385	50	40	FKGB	
N#C/C(=C\c1ccc(F)cc1F)c1nc2cc(C(F)(F)F)ccc2s1	12859269	WZVSASOJLHUCFC-BJMVGYQFSA-N	366.314	5.657	50	40	FKGB	
CCC/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(Cl)cc1	14921843	VUHPECSOIWJSOU-DARPEHSRSA-N	364.876	5.356	50	40	FKGB	
CCCCCCCCCCC/C=N/NC(=O)c1ccc(Cl)cc1Cl	98001244	RRYPLPUOIRTDRQ-HYARGMPZSA-N	371.352	6.630	50	40	FKGB	
C[C@H](Cl)CN(C[C@@H](C)Cl)c1ccc(/N=N\c2ccccc2)cc1	104184898	NHGTUDJKVXBFSP-TYXFZBCWSA-N	350.293	6.163	50	40	FKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3ccc(F)cc3)cc2C(C)=CC1(C)C	208523013	ZPTPQBLOAPCMCC-NDENLUEZSA-N	360.476	6.220	50	40	FKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	409381317	SUZCPJXSXZXAJH-XSFVSMFZSA-N	365.436	5.089	50	40	FKGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	2054967	XKXDKEKZVYRSBR-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@H]1c1ccccc1	6496103	QJNVUTIYPAJQIQ-FQEVSTJZSA-N	370.477	5.112	50	40	FKGB	
CC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	23410510	YHKCDWLRIAYUEN-HQQGHWSLSA-N	364.228	5.502	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2)cc1	34854441	HUOLSKZWCDSPLB-DEDYPNTBSA-N	365.436	5.515	50	40	FKGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1	3997599	ARNLVQWPBYIEQI-ZROIWOOFSA-N	367.817	5.436	50	40	FKGB	
Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccccc1	6792477	LZNMVONEPGTVIE-HKWRFOASSA-N	366.439	6.201	50	40	FKGB	
Cc1ccc(C(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	83317343	JGZFNTMAZNWXDA-OYKKKHCWSA-N	366.505	5.060	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1C	6267352	WPFXWPSRSBPJOY-XDHOZWIPSA-N	359.498	5.557	50	40	FKGB	
N#C/C(=C\c1cc(Br)ccc1O)c1ccc(Cl)c(Cl)c1	9324248	CFUVFSFGYWHLAP-VZUCSPMQSA-N	369.045	5.526	50	40	FKGB	
C/C(=N\NC(=O)CNc1ccc2ccccc2c1)c1ccc(C(C)(C)C)cc1	12465027	RLZWRLWUTIEQIT-YZSQISJMSA-N	373.500	5.090	50	40	FKGB	
O=P(CC12CC3CC(CC(C3)C1)C2)(c1ccccc1)c1ccccc1	102129254	YQIYULZFFFADOC-UHFFFAOYSA-N	350.442	5.217	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl	408579678	JLPWRHBKTCAGKL-MDWZMJQESA-N	366.675	6.500	50	40	FKGB	
Cc1ccccc1CSCC(=O)NN=C1CCCCCCCCCCC1	408784467	CDLGJICRVWNAIP-UHFFFAOYSA-N	374.594	6.005	50	40	FKGB	
COc1cc(C)ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2)o1	2275459	NXJIAJANTJZSPM-AQTBWJFISA-N	372.424	5.118	50	40	FKGB	
CC(/C=C/c1ccccc1)=N/NC(=O)C(c1ccccc1)c1ccccc1	4199254	QBQTXFWRYFNSPJ-IKODCFFISA-N	354.453	5.024	50	40	FKGB	
CN1/C(=C/C2=CC3=CC(=C(C#N)C#N)CC[C@@H]3CC2)Sc2ccccc21	5447135	RBXBBHDHJXDXIO-VBHHZLGVSA-N	357.482	5.470	50	40	FKGB	
N#C/C(=C\c1cccc2c1OCO2)c1nc(-c2ccc(Cl)cc2)cs1	5568387	BFSNRHDOIZZHSA-RIYZIHGNSA-N	366.829	5.256	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)c1C	6814945	QWQNFWQZHAIMKR-MTJSOVHGSA-N	371.440	5.683	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)c1	59133430	MJUQAIZGDWWFMS-QNGOZBTKSA-N	368.436	5.120	50	40	FKGB	
Cc1ccc(OCC(=O)NN=C2CCC(C(C)(C)C)CC2)c(C(C)C)c1	4863326	YLJPLNGZVOOYBS-UHFFFAOYSA-N	358.526	5.206	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nc2ccccc2s1	5379701	WSQPYDTVUZHJRX-NBVRZTHBSA-N	362.457	6.667	50	40	FKGB	
Cc1c2ccccc2c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@]32C)c2ccccc12	408726632	UKECVPFTVCHFPO-DYGNXTOESA-N	370.496	5.578	50	40	FKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc(OCC)c1O	408852203	DFEXZUGPDCUUJM-BOPFTXTBSA-N	373.374	5.602	50	40	FKGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	4174892	DKRXQIZVPCOPER-BKUYFWCQSA-N	358.510	6.381	50	40	FKGB	
CCCC[C@@H](Br)C[C@](F)(Cl)C(F)(F)Br	71613985	VHDQJFOCARQXPL-RNFRBKRXSA-N	360.439	5.223	50	40	FKGB	
N#C/C(C(=O)CC12CC3CC(CC(C3)C1)C2)=C1\Nc2ccccc2S1	15912472	WHBIPXLBNBTTIU-SILNSSARSA-N	350.487	5.115	50	40	FKGB	
CCCCCCCCCCCCCCCCC(=O)OC[C@H](O)CCl	72399903	RLJUXUGMOYWYGM-LJQANCHMSA-N	362.982	6.001	50	40	FKGB	in-vitro
Cn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21	4704896	FYGCHXCBPOYCRT-XFXZXTDPSA-N	370.239	5.031	50	40	FKGB	
C[C@@H](Cl)CN(C[C@@H](C)Cl)c1ccc(/N=N/c2ccccc2)cc1	4773942	NHGTUDJKVXBFSP-YZYXUJLISA-N	350.293	6.163	50	40	FKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1ccc(C(F)(F)F)cc1	107734133	UGHDXNSQQMHPPN-BOPFTXTBSA-N	374.381	5.817	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	408543374	OLEUDTBLFNCASY-QGOAFFKASA-N	367.452	5.796	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408734536	HPDRLBLFUBJHCC-RVDMUPIBSA-N	362.816	5.047	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OCC)c1OCC	409074030	RNIZUWZQPBSOJN-QGOAFFKASA-N	373.456	5.153	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1cccc2ccccc12	6495932	CMGPOCNXCODQEO-KQWNVCNZSA-N	361.444	6.483	50	40	FKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)c1	59133438	GHTRINLQGGLLFX-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
CC(C)(C)C1CCC(=NNC(=O)CSc2ccc(Cl)cc2)CC1	59472819	SLXVMPHSQONKNY-UHFFFAOYSA-N	352.931	5.141	50	40	FKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528086	INHPLAZBIGIULH-VIFPVBQESA-N	372.159	5.738	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OC(C)C)ccc2ccccc12	408805259	FMWKSMVMDPQUQJ-XMHGGMMESA-N	370.452	5.481	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(C#N)cc1	409374252	YWYIKANZEZHMSC-DHDCSXOGSA-N	365.219	6.189	50	40	FKGB	
N#C/C(=C\c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccn1	20837175	BCUQMHOFUJBRSM-SFQUDFHCSA-N	359.816	5.051	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1Cl	408785722	YOHVCRHTOBXGGE-ZROIWOOFSA-N	362.654	5.565	50	40	FKGB	
c1ccc(-c2ccccc2SSc2ccccc2-c2ccccc2)cc1	1700944	JKPTZWVDCSARTM-UHFFFAOYSA-N	370.542	7.820	50	40	FKGB	
C/C(=N/NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccn1	17836467	RQPJWNJDXSHFKM-QADSEFCXSA-N	358.405	5.043	50	40	FKGB	
Cc1ccsc1/C=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	44827434	MYFPXDGXOMJJMO-WQRHYEAKSA-N	364.539	6.443	50	40	FKGB	
CCCCCCOc1ccc(/C(C)=N\NC(=O)Cc2ccc(C)cc2)cc1	408737156	LRCBETKKXPVDOQ-CLCOLTQESA-N	366.505	5.037	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccn1	409236885	HTMHFMGBWQVOLM-YBEGLDIGSA-N	368.267	5.860	50	40	FKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1cccnc1	5500594	MDAFFSTVPKJMBU-UHFFFAOYSA-N	356.454	5.296	50	40	FKGB	
CCCCCC/C(C[C@H](SCC)c1ccccc1Cl)=N/NC(N)=O	17141700	XEEHYGKOPPBKPH-XESZTULISA-N	369.962	5.519	50	40	FKGB	
C=CCn1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21	35125001	JOAALBVMRRQHSL-FOWTUZBSSA-N	373.506	6.094	50	40	FKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C	6256771	ZNCWAEQOSVSDRE-MTJSOVHGSA-N	371.440	5.683	50	40	FKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21	208451548	DYGBBLHZDDUEQI-WQRHYEAKSA-N	368.484	5.567	50	40	FKGB	
O=C(N/N=C\c1ccccc1Sc1ccccc1)c1ccc(Cl)cc1	409192441	CNLSZQIQCYUIGT-HMAPJEAMSA-N	366.873	5.255	50	40	FKGB	
CC/C(=N\NC(=O)c1sc2cc(F)ccc2c1Cl)c1ccc(C)o1	1003392	QVBBEIBNOXNZKG-UDWIEESQSA-N	364.829	5.139	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)cc1	4170642	SKHAHKSWWKQYSL-SFQUDFHCSA-N	356.404	5.174	50	40	FKGB	
N#C/C(=C\c1ccc(Oc2ccccc2F)c(F)c1)c1nc2ccccc2[nH]1	98055440	UFMWHSGVWAWNGX-RVDMUPIBSA-N	373.362	5.698	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	408847557	NNHSBRWCUTWQSS-RAXLEYEMSA-N	373.670	6.502	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)c1nc(-c2ccccc2)cs1	33773198	PILYSSNITZPLRT-NTEUORMPSA-N	357.265	6.181	50	40	FKGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)cc1	408549961	CEFBXBAETUKCSC-XLNRJJMWSA-N	363.464	5.761	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1C(C)C	408799503	ZQHRAVCPJDPDOH-YBFXNURJSA-N	362.473	5.290	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)c2cccc(Br)c2)cc1C(C)C	408854980	CEVJTFCGNULQIM-RQZCQDPDSA-N	370.290	5.954	50	40	FKGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	7348044	HIWWEMWYEQTKFM-ATVHPVEESA-N	374.469	5.054	50	40	FKGB	
C[C@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccs2)/C(=C/c2cccs2)C1	8783216	RWXBYBCQZYYKLX-BVBOQDAKSA-N	366.511	5.385	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	408549266	RSGZNYWFEROPPY-GRSHGNNSSA-N	363.844	5.965	50	40	FKGB	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c1	408942260	YPMXDJXLCVLWEC-ZROIWOOFSA-N	373.239	5.104	50	40	FKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CCl	72400245	GQUYTVRTHVOZHT-GDCKJWNLSA-N	374.993	6.167	50	40	FKGB	in-vitro
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/C#N)CC[C@H]4[C@@H]3CC[C@@H]2C1	118927622	NBLNYSBYNKNUGO-PZKRHXESSA-N	355.522	5.411	50	40	FKGB	
CC1(C)Cc2cc(/C=C(\C#N)c3ccc(Br)cc3)ccc2O1	408710652	CMGULFAELJLFFZ-MHWRWJLKSA-N	354.247	5.227	50	40	FKGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2ccc(Cl)cc2)c2ccccc12	409000139	MQLUNBAHICXCST-QFEZKATASA-N	372.855	5.719	50	40	FKGB	
O=C(CCCCCl)c1ccc(N(c2ccccc2)c2ccccc2)cc1	575358777	DUSLOOVPNXAFCI-UHFFFAOYSA-N	363.888	6.748	50	40	FKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)cc1	6418628	ZYNRLWFOXDSSBN-RGEXLXHISA-N	360.432	5.696	50	40	FKGB	
COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Cl	33517681	JTIYXGOYUBXCPA-SDQBBNPISA-N	358.228	5.251	50	40	FKGB	
Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)c(C)c1	409391536	INNJXPTVUOFZRS-UUYOSTAYSA-N	358.460	6.223	50	40	FKGB	
Cc1ccc(-c2nc(NC(=O)CCl)sc2-c2ccc(C)cc2)cc1	3885297	SLSYUZOHVBOZMU-UHFFFAOYSA-N	356.878	5.271	50	40	FKGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)o1	4175146	ASJXGELCEFEWLH-JYRVWZFOSA-N	371.259	5.538	50	40	FKGB	
N#C/C(=C\c1cc(OC(F)F)ccc1Cl)c1nc2ccccc2s1	5603437	WTBJNHABOZUUDU-YRNVUSSQSA-N	362.788	5.615	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1	33774336	JHKKEURTJNCBDG-GHRIWEEISA-N	365.527	5.799	50	40	FKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1	33857407	VDAUCBQIQLGQBY-BKUYFWCQSA-N	370.408	5.546	50	40	FKGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3ccc(Cl)c(Cl)c3)oc12	226327894	YWOFOBQQVSEFTL-UHFFFAOYSA-N	369.635	5.287	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2cccc(F)c2)c1)c1ccc(Cl)cc1	408578679	AIKAFSFXHGXLIF-YBFXNURJSA-N	363.819	6.122	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)c1ccc(Cl)c(Cl)c1	408588463	WHZZWKDMKLTHBN-QPEQYQDCSA-N	352.648	6.110	50	40	FKGB	
CC1=CC(=C(C#N)c2nc3ccccc3o2)C=C(C)N1CCc1ccccc1	1554502569	LULZIFCHWRUCKV-UHFFFAOYSA-N	367.452	5.471	50	40	FKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)o1	12362998	FKSXWCKUDSAIIV-YBEGLDIGSA-N	363.800	5.671	50	40	FKGB	
COC(=O)c1scc(-c2ccccc2)c1N/C=C(/C#N)c1ccccc1	98212014	VMPFMOIFOXNSOC-LGMDPLHJSA-N	360.438	5.178	50	40	FKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1	409082193	RNTXKKBCYJOEGR-MTJSOVHGSA-N	370.861	5.157	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc(F)cc1	5636382	GCGXYHVVMIYIOB-MOSHPQCFSA-N	373.383	5.167	50	40	FKGB	
C[C@@H](C(=O)Nc1ccc(SC#N)c(Cl)c1Cl)c1ccccc1	95471103	NTYMLOMKOOEQSI-SNVBAGLBSA-N	351.258	5.309	50	40	FKGB	
CCOC(=O)/C(C#N)=C1/CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	96113528	YDVVOXNUMWFYCY-LNADRWIGSA-N	369.549	5.802	50	40	FKGB	biogenic
C[C@@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104153472	QZFCQVKSDBBQOE-QFIPXVFZSA-N	368.460	5.474	50	40	FKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C	223576553	XHKJQBBCQPEBLF-BRLDDBHUSA-N	362.492	6.310	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1Cl	408774304	ZAZSOWTVWBLKBD-ZROIWOOFSA-N	351.755	5.822	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1C	408794763	JZIYDOOQEPTRAP-SFQUDFHCSA-N	360.388	5.248	50	40	FKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1	408878550	BVBRSASXHCSSJR-PXLXIMEGSA-N	358.869	5.063	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1	39404219	LMWGOUIFNVGZAI-RGEXLXHISA-N	368.461	5.939	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)cc1Cl	409346277	LZUILWKQRFCWPT-YBEGLDIGSA-N	354.236	6.626	50	40	FKGB	
Cc1ccccc1CSC(Nc1cccc(C(F)(F)F)c1)=C(C#N)C#N	2341159	CYXBVMUVUXNMRM-UHFFFAOYSA-N	373.403	5.618	50	40	FKGB	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	13324339	DZXGDLAKZTXDBZ-UWLAKRBBSA-N	368.908	5.281	50	40	FKGB	
Cl[C@]1(Br)c2ccccc2[C@@H](Br)[C@@H]2C=CC=C[C@@H]21	49625270	ZQASRTHFLYVJSG-OJDJGZDQSA-N	374.503	5.281	50	40	FKGB	
Br[C@@H]1C2=C(c3ccccc31)[C@@H](Br)c1ccccc12	1712282	RZKMCXMLBYMRQA-HOTGVXAUSA-N	362.064	5.497	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1	209490880	KBKYILHLIXOENT-KGENOOAVSA-N	359.856	6.292	50	40	FKGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1cccc(Br)c1	408961899	VJHBYICTUXARGK-PDGQHHTCSA-N	367.290	5.422	50	40	FKGB	
Cc1cc(OCc2ccccc2)ccc1C(=O)[C@@H](Cl)c1ccccc1	575356829	CRSHEPGASFNZRG-NRFANRHFSA-N	350.845	5.737	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(C)ccc3F)n2)c1	875560	ZGXPDMUJGJNKTO-RVDMUPIBSA-N	365.433	5.243	50	40	FKGB	
BrCc1ccc(CCc2ccc(CBr)cc2)cc1	1670080	GKYPYQQVLLXFDQ-UHFFFAOYSA-N	368.112	5.262	50	40	FKGB	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1	4174875	ODONOONALQCHIT-BKUYFWCQSA-N	358.510	6.381	50	40	FKGB	
CCOc1cc(Cl)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC	6595482	YJBFAYNCKDBYBZ-NVNXTCNLSA-N	372.808	5.110	50	40	FKGB	
N#C/C(=C\c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1	33924720	LGSVXFBZPWMEDN-XNTDXEJSSA-N	367.271	5.637	50	40	FKGB	
C=CCOc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1OCC	6355037	VWJXLPKCOVBJAR-HKWRFOASSA-N	355.437	5.867	50	40	FKGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccc(F)cc2)cs1	13659514	QLBWPJYAECJPQK-XFXZXTDPSA-N	357.360	5.204	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Cl	409056326	LMQLGWFKGLMLJC-MDWZMJQESA-N	369.207	5.211	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@@H](Cl)[C@@H](Cl)c1ccc(Cl)s1	1685385	SUEQMBIHNLAWET-UWVGGRQHSA-N	360.114	5.887	50	40	FKGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	4853356	FBDMAOXVDSRSOI-ZSOIEALJSA-N	367.817	5.436	50	40	FKGB	
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(Cl)c(Cl)c2)CC1	5791977	HYHDQAUDPQDROY-UHFFFAOYSA-N	355.309	5.706	50	40	FKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C(C)C)c1C	14739329	FUMRQELNUJNEAT-DEDYPNTBSA-N	363.505	5.492	50	40	FKGB	
CC(C)[C@@H](Br)CC/C(CBr)=C(\Cl)CCl	73241704	UXRINMVIUVVTLH-WKMLFNHBSA-N	366.952	5.313	50	40	FKGB	
CC(C)N1c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc2[C@H](C)CC1(C)C	260562933	CZNDBXCRXKKDNM-SYERDGIWSA-N	362.492	6.390	50	40	FKGB	
N#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccc(Br)cc1	1101262	KTGOPSYFDPLUIQ-GHRIWEEISA-N	353.263	5.113	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc12	408807919	IIRFJRJVOITWEB-FABDANFUSA-N	370.452	5.023	50	40	FKGB	
Cc1cccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	4063630	TUGKZHUVXMXXAQ-RVDMUPIBSA-N	362.414	5.003	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1cccc(Cl)c1	1680276	LAVLMHOHEZNTJN-LPYMAVHISA-N	369.723	5.683	50	40	FKGB	
CC(C)(CCl)C(=O)N1CCC(C(c2ccccc2)c2ccccc2)CC1	2152437	WFQMVMMYLGLXLP-UHFFFAOYSA-N	369.936	5.322	50	40	FKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2cccc(Cl)c2)o1	408599657	YERYMMRGWGDWTJ-GDNBJRDFSA-N	364.788	5.881	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2Cl)cc1Cl	408734081	CVPPIOVKWFALAC-KPKJPENVSA-N	365.647	5.501	50	40	FKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1cccc(F)c1	409391713	JOWDXBNMEMWHRN-UITAMQMPSA-N	371.003	5.008	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1F	33551914	IVEZLHFDRPSXSY-UKTHLTGXSA-N	367.763	5.501	50	40	FKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C)c1	100839939	JJCNCIVLTSZSML-PDGQHHTCSA-N	359.498	6.020	50	40	FKGB	
C=CCn1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	408589053	YCKQICJZLCIPNC-XNTDXEJSSA-N	353.252	6.198	50	40	FKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Cl)c1	408598941	LPRVWRRPRXRJLW-DEDYPNTBSA-N	368.867	6.407	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccccc1F	108046671	DDRZZWSKKOGBLD-UYRXBGFRSA-N	373.383	5.167	50	40	FKGB	
CCCCCCNC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	2744540	JUJWACJOAQXVRO-CAPFRKAQSA-N	356.469	5.596	50	40	FKGB	
Br[C@@H]1c2ccccc2-c2ccc(/N=C/C=C\c3ccccc3)cc21	104379414	OATIBKVAMJLUTM-UNZCOTLZSA-N	374.281	6.567	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3F)o2)cc1	252497698	QNJGPOLVMOKLDV-GXDHUFHOSA-N	364.351	5.079	50	40	FKGB	
N#C/C(=C/Nc1cccc(Cl)c1Cl)c1nc(-c2ccccc2)cs1	4833537	ZBOXBAIBCUWOCD-RAXLEYEMSA-N	372.280	6.093	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	408552017	RHULEERMFSNXDY-VYZAVGSRSA-N	357.453	6.090	50	40	FKGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2o1	409056609	MYWMZCSDKLRLAR-MDWZMJQESA-N	369.207	5.211	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccccc2C(C)(C)C)cc1	1903484	UBCWJTRYKMSZFM-OBGWFSINSA-N	363.457	5.285	50	40	FKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc2ccc(F)cc2[nH]1	408565962	CPBTUKWNAMFRPP-WJDWOHSUSA-N	355.372	5.558	50	40	FKGB	
N#C/C(=C/c1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	3899043	NJZZKMWUYINAOP-ZROIWOOFSA-N	357.265	6.181	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1cccc2ccccc12	33615221	QTQOOENRKGDMHO-QNGOZBTKSA-N	366.439	6.451	50	40	FKGB	
Cc1cccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1	104048654	OIRFBYVQCFHMDB-UHFFFAOYSA-N	368.460	5.221	50	40	FKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)cc21	208446578	WYGDZAQKXNGSQG-UNOMPAQXSA-N	371.484	5.172	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1F	209381842	CKAPNWKBSULNRO-KAMYIIQDSA-N	366.779	5.285	50	40	FKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)c(C)c1	1454056	TVTGWIHOSBNTEM-LDADJPATSA-N	374.415	5.557	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)cc1C	5588085	GSTOKDNPPJCPSB-KGENOOAVSA-N	369.468	5.257	50	40	FKGB	
C/C(=N\NC(=O)CSCc1ccccc1C)c1ccc(C(C)(C)C)cc1	14166316	YMKPMLMBDGPPDS-HAVVHWLPSA-N	368.546	5.066	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(F)c3)n2)cc1	100239390	ARRGHTRULRCYOC-QINSGFPZSA-N	365.433	5.324	50	40	FKGB	
O=C(Cl)c1cc(-c2ccc(Br)cc2)oc1C(F)(F)F	2243867	JKDFNLKADRLBMW-UHFFFAOYSA-N	353.521	5.107	50	40	FKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2ccccc2F)cc1Br	6205397	YZYVKYVOKVMCAR-PTNGSMBKSA-N	373.269	5.499	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2[nH]1	6694745	ZQXMRCCTZFVJBK-QGOAFFKASA-N	369.399	5.345	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)s1)c1ccccn1	24833115	QISCRIUKHCWYLH-SDNWHVSQSA-N	367.271	5.637	50	40	FKGB	
FC(F)(F)c1cc(/C=C\c2noc(CCl)n2)cc(C(F)(F)F)c1	33376482	ZELCQHTUHQJRCV-UPHRSURJSA-N	356.653	5.016	50	40	FKGB	
N#C/C(=C/c1ccc(C#N)cc1)c1nc2cc(C(F)(F)F)ccc2s1	35482956	KIWRHCGYHYVUTB-QPEQYQDCSA-N	355.344	5.251	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	408734960	MDEYZUJZMIZYDX-GZTJUZNOSA-N	368.864	5.229	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccccc1	409361130	GSNQPTFWTWPWHK-JCMHNJIXSA-N	355.437	5.728	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1	409365236	QJBDNVDVDLWLTL-UVTDQMKNSA-N	350.761	5.572	50	40	FKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc(C#N)c2)c1C	6814509	LKJCAZSENMHCOJ-NHDPSOOVSA-N	371.871	5.992	50	40	FKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC	409393622	RLHQAPMWAHIYLG-TUTDSIAXSA-N	359.828	5.729	50	40	FKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	1453869	MTHXKISFQBLPPF-XNTDXEJSSA-N	374.362	5.038	50	40	FKGB	
CC/C(C)=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1	5781387	LIODERZFDNOHJQ-XQNSMLJCSA-N	352.478	5.079	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccccc1Cl	6044052	PZLHRXKHDRLYAJ-NDENLUEZSA-N	357.844	5.683	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(F)c2)c1C	59137338	OXABYYXVOINJPY-UNOMPAQXSA-N	373.431	5.087	50	40	FKGB	
COc1cc(OC)c(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1Cl	408587154	RGBNQZOHVZRTFI-XGICHPGQSA-N	368.647	5.728	50	40	FKGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	6130448	KGSLEINYBDOIFN-YVLHZVERSA-N	368.864	5.326	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1nc2ccc(F)cc2[nH]1	408569167	ZGAFNYJJIJBGIP-LCYFTJDESA-N	363.779	5.680	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)cc1C	408757847	DDDPFOWYFKZIDY-LGMDPLHJSA-N	374.465	5.593	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	409356739	NRGDMHPOEKWIKC-NBVRZTHBSA-N	358.397	5.601	50	40	FKGB	
CC[C@H](C)c1ccc(OC[C@H](C)N(CCCl)Cc2ccccc2)cc1	4792481	SMNXUXPCNDJJAJ-OALUTQOASA-N	359.941	5.708	50	40	FKGB	
N#C/C(=C\c1ccccc1Cl)c1nc(-c2cccc(Cl)c2)cs1	5583199	RCOSEHUMXZCHBG-RIYZIHGNSA-N	357.265	6.181	50	40	FKGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Cl)cc1Cl	408764495	IZEAJJDXWWPGRK-FOKLQQMPSA-N	369.251	5.009	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(Cl)cc1Cl	409008986	AXMNGKZCBBFYKU-LCYFTJDESA-N	358.199	6.457	50	40	FKGB	
N#C/C(=C\c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2[nH]1	4864013	WCVHPIHBMBJECG-FOWTUZBSSA-N	371.827	6.073	50	40	FKGB	
CC[C@H](C)SSc1ccccc1C(=O)Nc1ccc(Cl)cc1	1611871	JUCSCGFZTSSBTK-LBPRGKRZSA-N	351.924	6.131	50	40	FKGB	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2cc(C)ccc2[nH]1	12341060	ZJTFRCKCGSYICE-WUXMJOGZSA-N	358.228	5.251	50	40	FKGB	
CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	96113527	YDVVOXNUMWFYCY-KERZABIVSA-N	369.549	5.802	50	40	FKGB	biogenic
Cc1cc2nc(/C(C#N)=C/c3c4ccccc4cc4ccccc34)[nH]c2cc1C	408541471	BDTYJFTVEMVAIJ-XSFVSMFZSA-N	373.459	6.550	50	40	FKGB	
ClCCSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	1581247	LXTGUTVAHXINNA-UHFFFAOYSA-N	356.322	5.435	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/[C@@H](C)CCCC(C)C	104070553	GNFCDZFGKCYLRP-FSTGKYBXSA-N	371.396	5.913	50	40	FKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccccc2F)cc1OC	107599088	JATDNMJOETVQNO-MLJKTZRHSA-N	359.828	5.729	50	40	FKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)Cc1ccc(C)cc1	408737903	ZKTUXLMNMYAWRV-HKOYGPOVSA-N	366.505	5.037	50	40	FKGB	
O=C(Nc1ccc(Cl)cc1)[C@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1	1685427	CNWCXEKZZRZGDF-UONOGXRCSA-N	363.071	5.519	50	40	FKGB	
Cc1ccc(OCCOc2cccc(/C=C(/C#N)c3ccccc3)c2)cc1	4196558	URBRKCSIPWAUJJ-JWGURIENSA-N	355.437	5.517	50	40	FKGB	
CCCCCC/C(C[C@H](SCC)c1ccccc1Cl)=N\NC(N)=O	5553134	XEEHYGKOPPBKPH-JPOGYNCRSA-N	369.962	5.519	50	40	FKGB	
COc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc2ccccc2c1	408551557	NLDGIWCOTVQASK-JCMHNJIXSA-N	354.453	5.513	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1Cl	408587851	HLIZSRJXSGJGNY-SRZZPIQSSA-N	359.212	5.017	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(F)c1	409394280	YBPIECOKEAPKDR-ATVHPVEESA-N	365.860	6.694	50	40	FKGB	
N#C/C(=C\c1ccc(Sc2ccccc2)o1)c1cccc2ccccc12	6496078	UPTJGIALBHIPKU-OBGWFSINSA-N	353.446	6.648	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1nc2ccccc2[nH]1	12520629	GUQJTTJRQVCQTA-SDNWHVSQSA-N	372.409	5.264	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	59116982	UISNADFCKCTSAY-NTCAYCPXSA-N	362.816	5.047	50	40	FKGB	
ClC1=C[C@@H]2[C@@H]3[C@H]4[C@H](C4(Cl)Cl)C4(CC4)[C@@H]3[C@H]([C@@H]1Cl)C21CC1	217358770	UCMPKRWKCHKHFK-LCFNXOSUSA-N	350.116	5.202	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1	408582244	MNFAHRNCFAMZOD-XSFVSMFZSA-N	359.400	5.477	50	40	FKGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2cccc(Cl)c2)c2ccccc12	408996298	HGZKPSVGNKNQHY-QFEZKATASA-N	372.855	5.719	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)cc1C	409014376	PEBVZHGDUGAHKW-ATVHPVEESA-N	360.388	5.248	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc2ccccc12	409176796	YAGXONLUKJRJKB-ZVHZXABRSA-N	358.372	5.003	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1	51103454	XDABTZAUJKNGDH-BOPFTXTBSA-N	372.859	5.688	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)c1ccc(C(=O)O)cc1	408540819	BXNFPNNSFQTQBX-HKWRFOASSA-N	368.436	5.202	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408579332	FVATUBCQNPIQMM-FYJGNVAPSA-N	370.408	5.546	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Cl)c1O	408586122	LHIPNUKOMFUIMI-XGICHPGQSA-N	368.647	5.815	50	40	FKGB	
CCc1ccc(C(c2ccc(CC)cc2)C(Cl)(Cl)CCl)cc1	1665080	YIUUDGKEZXZWFA-UHFFFAOYSA-N	355.736	6.356	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@H](Cl)[C@@H](Cl)c1ccc(Cl)s1	1685387	SUEQMBIHNLAWET-VHSXEESVSA-N	360.114	5.887	50	40	FKGB	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	2669688	YHKCDWLRIAYUEN-SERMCNLOSA-N	364.228	5.502	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C	4561801	BTKGOKKUGUSJMH-XSFVSMFZSA-N	366.468	5.597	50	40	FKGB	
C/C(=N\NC(=O)c1ccccc1)[C@@]1(C)CC2=C(CCCC2(C)C)C[C@@H]1C	4689737	LJFIFYWCVHSVRF-NGHQGHKVSA-N	352.522	5.735	50	40	FKGB	
CCCCCCCC/C=C\CCCCCCCCNC(=O)NCCCl	95863419	CUGAVRCBULMRIZ-KTKRTIGZSA-N	373.025	6.562	50	40	FKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc21	208203575	JBLVAWZBTQOICR-YQYFLZKSSA-N	350.893	6.126	50	40	FKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	409050127	ZCVCJTPCVXVUBO-NTEUORMPSA-N	373.239	5.104	50	40	FKGB	
Cc1ccc(C(=O)[C@H](Cl)[C@H](NC2CCCCC2)c2ccccc2)cc1	1690382	LGGVEHNTZPZMCA-NHCUHLMSSA-N	355.909	5.449	50	40	FKGB	
CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1	6026919	ANPFGZRJSCZZBU-QGOAFFKASA-N	359.498	5.966	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1C1CCCC1	33305313	YWKWOLCCHZJJAP-PDGQHHTCSA-N	369.306	6.047	50	40	FKGB	
Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	100839929	BSLLXNCGCUMXPS-WJDWOHSUSA-N	365.889	6.057	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(C#N)cc1	409372540	MHQBXUNYSLKTIQ-BKUYFWCQSA-N	370.839	5.855	50	40	FKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1cccc2ccccc12	1103108	NPBVMSRROVUXMV-IBGZPJMESA-N	354.434	5.273	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1	4510965	COMHSRZXDVYRCN-PTNGSMBKSA-N	350.761	5.572	50	40	FKGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)c(Cl)c1	408587070	PUSYTAZTOYNYDP-WZUFQYTHSA-N	353.592	5.619	50	40	FKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(C)C)N=C3CCCC(O)=C32)cc1	2209630	QGTVKQZEUGDDBV-LJQANCHMSA-N	352.503	5.654	50	40	FKGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	4599477	XOJTVGRHXBHJKV-LFVJCYFKSA-N	362.860	5.012	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCC2	5370349	UPEIIKCLIQGBJH-WSDLNYQXSA-N	361.272	5.026	50	40	FKGB	
C[C@@H]1CCC/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1	5919796	FXDPRHREASGHJY-GBOANMKXSA-N	357.457	5.198	50	40	FKGB	
CCCCCCCCCC(=O)NN=C1CCCCCCCCCCC1	8457162	MPWZOSWJUNXOGL-UHFFFAOYSA-N	350.591	6.904	50	40	FKGB	
CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	17474289	RSAXPYOFNACAMJ-LFIBNONCSA-N	350.418	5.412	50	40	FKGB	
CCCCCCc1ccc(OCCOc2ccccc2C=C(C#N)C#N)cc1	4672557	OTBUOSSEFFRMRN-UHFFFAOYSA-N	374.484	5.698	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1C1CCCCC1	8011448	RFWSJOCPCUBZTF-LPYMAVHISA-N	357.885	5.027	50	40	FKGB	
Cc1c(Cl)cccc1N/C(S)=C(/C#N)c1nc2ccccc2s1	12549728	HBPLYATUDPRZEI-LFIBNONCSA-N	357.891	5.492	50	40	FKGB	
N#C/C(=C1\OC(=N)C(c2ccc(Cl)cc2)=C1O)c1ccc(Cl)cc1	31818310	FGOHZYSXRWCCET-OHOILPSJSA-N	357.196	5.205	50	40	FKGB	
BrCc1cccc(-c2nc3cc(-c4ccccc4)ccc3o2)c1	41127384	DOMOJANAOFJUOV-UHFFFAOYSA-N	364.242	6.057	50	40	FKGB	
N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	100727411	JTVYIYFSVSMCKA-JLHYYAGUSA-N	372.280	6.093	50	40	FKGB	
Cc1ccc([C@@H](Br)C2=CC(C)(C)c3ccccc3C2=O)cc1	1754605	LIIZOWVCZKYZMO-GOSISDBHSA-N	355.275	5.532	50	40	FKGB	
N#C/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	6345306	MZWMAINTZOFJTQ-SNAWJCMRSA-N	364.242	5.718	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	33421101	KBGFMVVDZHCVAH-CHHVJCJISA-N	359.256	5.662	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1cccc(Cl)c1	104078931	LAVLMHOHEZNTJN-XKZIYDEJSA-N	369.723	5.683	50	40	FKGB	
COc1cc(C=C(C#N)C#N)ccc1OCc1ccc(Cl)cc1Cl	4549325	MGDQDBITSGGRTO-UHFFFAOYSA-N	359.212	5.012	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(Cl)ccc3OC(C)C)nc2c1	5387318	MAJXVXNKKAQGJF-DHDCSXOGSA-N	351.837	5.376	50	40	FKGB	
C[C@H](Sc1ccc2ccccc2c1)C(=O)C(C#N)=C1Nc2ccccc2N1	7838538	BGNWAVKRGJISRW-AWEZNQCLSA-N	371.465	5.162	50	40	FKGB	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1nc(-c2ccccc2)cs1	98055353	ZAJNUGOYYVQCGD-RIYZIHGNSA-N	362.845	5.175	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)cc1[N+](=O)[O-]	107902239	UOAKVWGNCXJXTL-ZDLGFXPLSA-N	355.353	5.099	50	40	FKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2ccc3ccccc3c2)cc1C(C)C	408859617	YQMMLCKGTDIUEH-MFKUBSTISA-N	374.484	5.434	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@H](C)Sc1ccc(C)cc1	409123289	FRMASZNDMHYUGS-LWJGVMBGSA-N	368.546	5.336	50	40	FKGB	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1c(Cl)cccc1Cl	630779	REKUJRBFJCMPFY-SFHVURJKSA-N	367.235	5.365	50	40	FKGB	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	4865193	YQUTUGMMLPMWJS-OBGWFSINSA-N	350.425	5.395	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1O[C@H](C)CC	6596363	GBJQZZAMYAEBCI-KWZJRMENSA-N	373.855	6.119	50	40	FKGB	
CCOc1cc(C)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1C(C)C	6844642	RQEBYABBRIWRKK-ZDLGFXPLSA-N	350.418	5.490	50	40	FKGB	
C(=N\C1CCCCC1)\c1ccccc1P(c1ccccc1)c1ccccc1	100012671	CWYDMJZWNROFGL-QOMWVZHYSA-N	371.464	5.196	50	40	FKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	209399801	PBWTVSWOKQSKCM-CXUHLZMHSA-N	372.262	5.229	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Cl	408740980	GCAZMAYQXQIFRA-ZROIWOOFSA-N	373.239	5.104	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc(C#N)cc1	409373047	SJNNDIAGDKSJHT-QRVIBDJDSA-N	361.404	5.073	50	40	FKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	5777354	JVKVFGYAFQGQHK-LFIBNONCSA-N	366.342	5.404	50	40	FKGB	
N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1	100395044	JSFAVSOJEIOBCD-JLHYYAGUSA-N	372.280	6.093	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCCC	409069407	XOZOPXODFGAAIM-QGOAFFKASA-N	374.440	5.418	50	40	FKGB	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1	4032024	UGSYMIBCYWXJKQ-NBVRZTHBSA-N	372.424	5.199	50	40	FKGB	
CCCCCCCCCCCCSCC(=O)OCCOCCCl	100077049	SNFNVWXSAJORPO-UHFFFAOYSA-N	366.995	5.439	50	40	FKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@H]2Br	103112436	HSIUCQNHPABEPI-DBVUQKKJSA-N	372.306	5.368	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccccc1F	209381812	IWKZSCYVXVSHSP-KAMYIIQDSA-N	366.779	5.285	50	40	FKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)c(OC)c1	408548598	JJLWHBMUUCYXNB-JCMHNJIXSA-N	356.469	5.759	50	40	FKGB	
CCCCCCCCCCCCCCCCOC(=O)CBr	100309963	BTHNTCJTOYZMCB-UHFFFAOYSA-N	363.380	6.406	50	40	FKGB	
N#C/C(=C/Nc1cccc2ccccc12)c1nc(-c2ccc(F)cc2)cs1	100840021	OIEDPYNLZUODJV-LGMDPLHJSA-N	371.440	6.079	50	40	FKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@H]2O[Si](C)(C)C	257437097	HNZDTAXZHUDITM-VXAPCQRLSA-N	360.614	5.738	50	40	FKGB	
Cc1cc(OCc2ccccc2)ccc1C(=O)[C@H](Cl)c1ccccc1	575356830	CRSHEPGASFNZRG-OAQYLSRUSA-N	350.845	5.737	50	40	FKGB	
ClC[C@H](Cl)CCCCCC[C@H](Cl)CC(Cl)(Cl)Cl	2539145	BGUCVTBWQJKWCX-VHSXEESVSA-N	362.983	6.541	50	40	FKGB	in-vitro
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c2ccccc12	408747070	YYXQCZDFNDUKLF-JXAWBTAJSA-N	356.425	5.093	50	40	FKGB	
CN(C)c1ccc([C@H](Cl)[C@H](Cl)C(=O)c2ccc(Cl)cc2)cc1	1685477	WMSSOOBBXJIYDA-HOTGVXAUSA-N	356.680	5.176	50	40	FKGB	
O=C(/C=C/c1ccc(C(F)(F)F)cc1)c1ccc(O)c(CCCl)c1	13006454	GAVMUTWDVISQAQ-XVNBXDOJSA-N	354.755	5.088	50	40	FKGB	
CC(C)(Cl)[C@@H](Cl)CC/C(CBr)=C(\Cl)CCl	73258819	UIGXZKYHJGKJFU-FLOXNTQESA-N	356.946	5.518	50	40	FKGB	
CCCCCCCCCCCC[C@H](Br)CBr	85922416	RMIIYTFMCDXNEI-AWEZNQCLSA-N	356.186	6.456	50	40	FKGB	biogenic
N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)Sc1nc2ccccc2[nH]1	408599435	UVGDBQJAXPPJLF-LFIBNONCSA-N	368.421	5.351	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1	2836436	RVZNTZCVAGMVJR-NTEUORMPSA-N	362.654	5.565	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)c1	4175123	YHIQWIBVLZYCKI-XDHOZWIPSA-N	368.461	6.036	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1	5385579	BBEBTLOQWYHYMS-WJDWOHSUSA-N	365.864	5.768	50	40	FKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc(C)cs3)c2C)cc1	8207299	AIFANQYSSFLNCB-WOJGMQOQSA-N	363.486	5.322	50	40	FKGB	
Cc1csc(/C(C#N)=C\c2ccc(/C=C(\C#N)c3nc(C)cs3)cc2)n1	89702625	XUQQYIKKBFNDGP-ZZDPWUPLSA-N	374.494	5.345	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	108926508	NPKSDYSVODLXMP-SFQUDFHCSA-N	368.864	5.373	50	40	FKGB	
C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc(Cl)c(Cl)c1	408585806	IVSXRVPEIUOMEW-DHDCSXOGSA-N	358.224	5.078	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	45295702	MSGYOIXJNAMAJE-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(F)cc1	409019239	ZPFQXTFXLQAWMZ-KAMYIIQDSA-N	371.889	6.756	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(F)cc4F)o3)nc2c1	5123880	VMWOVMRTBZFIDV-UKTHLTGXSA-N	361.351	5.474	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)cc1Cl	5417395	VWTMUQDEYJRPSM-CIAFOILYSA-N	353.809	5.064	50	40	FKGB	
N#CC(=C\c1ccc(Cl)cc1)/C(O)=N/c1nc(-c2ccccc2)cs1	17017121	NOXWLRMDIUJRRA-XNTDXEJSSA-N	365.845	5.659	50	40	FKGB	
CCCCCCCCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	85876103	MVKYKZWDUCSXAA-UHFFFAOYSA-N	371.433	5.553	50	40	FKGB	
Cc1ccccc1NP(=O)(Nc1ccccc1C)Nc1ccccc1C	96022408	ATAPXVDCMXKAHV-UHFFFAOYSA-N	365.417	6.356	50	40	FKGB	
Cc1cccnc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	100100373	LJSMYTTWFVWHCJ-UHFFFAOYSA-N	368.420	5.199	50	40	FKGB	
Cc1c(Cl)cccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1	252487877	IDBSYICVYILVDQ-NTCAYCPXSA-N	362.816	5.454	50	40	FKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	408803145	LSDXQARYWNQYJK-GZTJUZNOSA-N	368.864	5.229	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OC(C)C	409304469	RDGIJMOBORBHEO-ZHZULCJRSA-N	357.453	6.090	50	40	FKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)c2ccccc2)cc1	59193970	RNFDCPNXVYTSBU-PXLXIMEGSA-N	353.421	5.364	50	40	FKGB	
C=CCOc1cccc(/C=C(\C#N)Sc2nc3ccccc3s2)c1	108145459	XXFKLADFSWJPFS-FOWTUZBSSA-N	350.468	5.518	50	40	FKGB	
CC(C)(C)[Si](C)(C)Oc1ccc(C=O)cc1O[Si](C)(C)C(C)(C)C	195927466	OTENVZJLWMQSAT-UHFFFAOYSA-N	366.650	6.267	50	40	FKGB	in-vitro
N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1nc2ccc(F)cc2[nH]1	408569262	MOKKXDUAUNSUNY-RAXLEYEMSA-N	361.401	5.510	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)cc1C	4175121	DNVNQHIMWTVJRP-FYJGNVAPSA-N	366.489	6.644	50	40	FKGB	
COc1c(Cl)cc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409393332	QHODGPBYIJAKMD-XGICHPGQSA-N	366.617	5.314	50	40	FKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(\C#N)c3ccccc3)cc21	208244519	XVWWFZGICNCCHH-BFERYNQYSA-N	350.893	6.126	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)o1	408548389	HOHXQXYUWNHTFQ-MOSHPQCFSA-N	369.851	7.126	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1	33284876	WFFLHEUTYISJFT-GDNBJRDFSA-N	350.761	5.572	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc(C(=O)O)cc3)c2C)cc1	33473326	SWJNJKFEUSBFNW-FYJGNVAPSA-N	356.425	5.165	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3Cl)n2)cc1	100721897	OTJNWTRBGYFKDJ-SDNWHVSQSA-N	367.861	5.449	50	40	FKGB	
ClCCCCCCCCCCCCCCCCCCCCCl	139011819	SFDSPYOPESHQCU-UHFFFAOYSA-N	351.446	8.486	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1cccc(F)c1	409390697	GQHFQXNIKVOSJP-QINSGFPZSA-N	367.221	5.443	50	40	FKGB	
CC(C)(C)c1ccc(-c2cc(NC(=O)CCl)n(-c3ccccc3)n2)cc1	3278107	UMUGOPDOGMIVKO-UHFFFAOYSA-N	367.880	5.014	50	40	FKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	9200944	BLLOITLSCDQBON-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)c1C	5711197	KSRHMMGVVXWJNC-ATVHPVEESA-N	360.388	5.248	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(F)c(Cl)c1	6266096	BNYFUUMLUHCLHF-YBEGLDIGSA-N	368.814	6.090	50	40	FKGB	
CC[Si](CC)(CC)O[C@@H]1[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C	225595871	IARAJJUUSFBNGZ-ZWKOTPCHSA-N	363.574	5.369	50	40	FKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Cl)c1O	408587126	QNCOIPKFWYXBAC-WCIBSUBMSA-N	354.620	5.425	50	40	FKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	4263939	PPESLWMPPFYRGT-GXDHUFHOSA-N	369.852	5.888	50	40	FKGB	
BrCc1cc(CBr)cc(OCc2ccccc2)c1	4264727	GPEIDPMIKJSJTD-UHFFFAOYSA-N	370.084	5.055	50	40	FKGB	biogenic
N#C/C(=C/c1ccnc2ccccc12)c1nc(-c2ccc(F)cc2)cs1	9060977	DVCGLIITGPODCH-WJDWOHSUSA-N	357.413	5.562	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1	408600731	FRJQCSWQZDNURI-NTEUORMPSA-N	368.751	5.711	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)cc1	408800541	NTDUEXLVFFNAKF-GZTJUZNOSA-N	368.864	5.235	50	40	FKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1)c1ccccc1	408803307	NMSKKHOIUHZGFO-HUCUOGIVSA-N	365.436	5.105	50	40	FKGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	408935157	GZZJZICPDYOSGA-GDNBJRDFSA-N	374.362	5.040	50	40	FKGB	
CC1=CC(C)(C)N(C(=O)[C@@H](Cl)c2ccccc2)c2cc(C)c(C)cc21	4544159	WSGFZTOADNZPFT-FQEVSTJZSA-N	353.893	5.812	50	40	FKGB	
O=C(Cc1cccc2ccccc12)NN=C1CCCCCCCCCCC1	4695823	AMOMBJVIWSGTTF-UHFFFAOYSA-N	364.533	6.159	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)[nH]c2c1	5234223	XRCQCXPPCRFVTE-RVDMUPIBSA-N	370.368	5.104	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1C1CCCC1	408771020	DJLMCIDFGJUHJT-YBEGLDIGSA-N	359.300	6.591	50	40	FKGB	
COc1cc(C)c(/C=N/NC(=O)c2ccc3ccccc3c2)cc1C(C)C	408857256	TXCMINCKNYBIKJ-ZVHZXABRSA-N	360.457	5.044	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(C)cc(C)c3)n2)c1	1200101	DXAQMZPRTWKAFO-SFQUDFHCSA-N	361.470	5.412	50	40	FKGB	
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCCl)c1ccccc1C=C2	4973963	ZNYTWVQXLLGWKX-UHFFFAOYSA-N	370.836	5.032	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)cc1	5174672	UOXMXWLDJPUPDE-OVGFGYAMSA-N	351.519	5.178	50	40	FKGB	
CC(=NN=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C	301054524	YUGQKTFQKGFVBZ-UHFFFAOYSA-N	374.468	5.586	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1	1453268	ZSLVPNOIHXZAHP-RVDMUPIBSA-N	357.306	6.169	50	40	FKGB	
O=C(CBr)N1c2ccccc2Sc2ccc3ccccc3c21	1559036	YDPLHPNOZYSPDZ-UHFFFAOYSA-N	370.271	5.364	50	40	FKGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2cc(Cl)ccc2Cl)cc1	2573051	DVALOXOFGMNUCR-NVMNQCDNSA-N	371.292	6.409	50	40	FKGB	
C[C@H](/C=N/NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1	19642780	IUWJPZXPBFNAMA-CYGNYLSHSA-N	352.434	5.074	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(C(=O)O)cc1	107691620	JJGQYXSYWCZYME-MOSHPQCFSA-N	373.383	5.167	50	40	FKGB	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)c1ccc(F)c(F)c1	63413586	NOPGJXQIVPRBMT-NVNXTCNLSA-N	351.377	5.483	50	40	FKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@H](Cl)C=C[C@H]3[C@@]1(Cl)C2(Cl)Cl	100066731	FRCCEHPWNOQAEU-NZTSAZHJSA-N	373.321	5.242	50	40	FKGB	in-vitro
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)c1ccccc1	6222693	ABRMSHSJQPTQFC-XSFVSMFZSA-N	373.839	5.709	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)c(C)c1	23724014	RSNKCSHKQGSOGD-SFQUDFHCSA-N	360.388	5.248	50	40	FKGB	
COc1cccc(C=C(C#N)C#N)c1OCc1ccc(Cl)cc1Cl	59133384	UGXKPBNTWBDPOA-UHFFFAOYSA-N	359.212	5.012	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(OC)c(OC)c1	408583953	YXMSUYDEEJWLOY-QGOAFFKASA-N	359.425	5.320	50	40	FKGB	
CC(/C=N/NC(=O)c1ccc(COc2ccccc2)cc1)=C\c1ccccc1	6085326	SVWJTCJEXONELV-ZNRHCXQYSA-N	370.452	5.085	50	40	FKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	59336158	NKNMJAUIUAYVQT-KAMYIIQDSA-N	373.239	5.104	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C)n2)cc1OC	4174862	HPMRJMUJVHPLNC-YVLHZVERSA-N	362.454	5.200	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3)n2)cc1	6709939	NCANETZBNUFXRN-LICLKQGHSA-N	350.874	6.090	50	40	FKGB	
Br[C@H]1Cc2ccccc2[C@H](Br)Cc2ccccc21	104062767	JFWMKAUXLFFZTQ-IYBDPMFKSA-N	366.096	5.357	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc(C#N)c3)cc2)cc1	408568583	VGCWGEWXPCCWFC-QRVIBDJDSA-N	350.421	5.510	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)c1ccccc1	14150439	CMCZUAHUCUDZNJ-DEDYPNTBSA-N	373.839	5.709	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1	408874965	GQNZWTKINXKFIX-KGENOOAVSA-N	370.427	5.271	50	40	FKGB	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	13775205	BRURHRXYVZPZOZ-MFOYZWKCSA-N	360.438	5.165	50	40	FKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)c1cccc([N+](=O)[O-])c1	33757493	FBCSQGVHXCRXSS-RGEXLXHISA-N	350.377	5.965	50	40	FKGB	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1cccc(Cl)c1Cl	301398882	JOHSSQDCHMHQGD-CLFYSBASSA-N	369.610	5.332	50	40	FKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1	408540665	UZKGUZGJEIFKAM-BWAHOGKJSA-N	374.484	5.563	50	40	FKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	408819033	XUDVBEXOMCTGIV-KPKJPENVSA-N	365.647	5.501	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(F)c3)cc2)cc1	409243167	ZLALIQSBYOOLAK-OEAKJJBVSA-N	364.445	5.049	50	40	FKGB	
COc1cc2c(cc1/C=C/C#N)[C@@H](C)CC(C)(C)N2C(=O)c1ccccc1	1740816388	BWOCFCDSOPECBJ-KXKDPZRNSA-N	360.457	5.165	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1cccc2ccccc12	6495937	ALBWAPNGPNNPTE-QJOMJCCJSA-N	361.444	6.483	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)c([N+](=O)[O-])c1	408567221	KWOPVMFEJGBYMJ-BOPFTXTBSA-N	355.353	5.099	50	40	FKGB	
C/C(C[C@@H]1CC2=C(CC1(C)C)C(C)(C)CCC2)=N\NC(=O)c1ccccc1	4812552	CEEKIVXITQUMRQ-GGVNPZCGSA-N	366.549	6.125	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OC	6355878	CWEXSQFLQQOGBI-HDAKKWKLSA-N	357.453	6.090	50	40	FKGB	
CC[C@@H](C)n1cc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc21	408549914	BLLQNTSSSCHDLT-OSVNEOKWSA-N	350.465	6.830	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)c1ccc([N+](=O)[O-])cc1	2144965	CFXJWYZEPGPKNV-XMHGGMMESA-N	350.377	5.965	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	3885250	LFMKEGDIJBNAKP-MXTUWINDSA-N	364.876	5.048	50	40	FKGB	
CCCCSC1=C(C#N)[C@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1	103158721	YTDNGTGLQKFDNH-IBGZPJMESA-N	352.503	5.798	50	40	FKGB	
CCCCCCSCCOCCO[C@@H](C)[C@@H](Cl)CCCCC	5418286	DZLFLEUUQTVQSN-ROUUACIJSA-N	353.012	5.909	50	40	FKGB	
CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21	409230590	ZVFZMPVYECRTMT-AVAGLIGESA-N	371.484	5.397	50	40	FKGB	
Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2ccc(F)cc2)cs1	2283380	XIUOAOKZQMPJTG-UVTDQMKNSA-N	369.852	5.888	50	40	FKGB	
CC(=C/c1ccccc1)/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F	48310394	KJSCPYURPDIADC-RVFWBLQRSA-N	356.347	5.197	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(C)c3)c2C)cc1	408931903	RURGRLULMZLOFN-IWIPYMOSSA-N	374.488	5.121	50	40	FKGB	
C[C@H](Cl)CN(C[C@@H](C)Cl)c1ccc(/N=N/c2ccccc2)cc1	5319770	NHGTUDJKVXBFSP-QWAUMEEFSA-N	350.293	6.163	50	40	FKGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	409219139	JINVNDCLVFLEEH-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2669682	VQCFCUOXERNMDJ-OYGDSYQHSA-N	364.228	5.502	50	40	FKGB	
C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1ccc(-c2ccccc2)cc1	12530759	KCKZTKHYYXQOJK-LFVJCYFKSA-N	374.509	5.448	50	40	FKGB	
C[C@@H](Cl)C1(OC(=O)OC2([C@@H](C)Cl)CCCCC2)CCCCC1	78130921	YXYJUCUPMHHHEK-ZIAGYGMSSA-N	351.314	5.800	50	40	FKGB	
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)c1cccs1	2135011	LLPMKWFLXQASRA-WXUKJITCSA-N	358.466	5.261	50	40	FKGB	
Cc1ccccc1CSC(Nc1ccc(Cl)cc1Cl)=C(C#N)C#N	2340099	VDYJKDXLNGHXLJ-UHFFFAOYSA-N	374.296	5.906	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(Cl)c1	9190575	FMUZPWJSSXKPTL-AFUMVMLFSA-N	372.855	5.719	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(Cl)cc1	408600560	DIHFWUWDTJPFKK-NTEUORMPSA-N	358.199	6.457	50	40	FKGB	
N#CC(C#N)=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	5741243	XGPSXWUYWMNFFP-UHFFFAOYSA-N	352.224	5.427	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Cl	6814482	XJQYCSBVKACJAM-BOPFTXTBSA-N	362.816	5.202	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1Cl	9263463	KWIMBLKNYXTMFT-NTUHNPAUSA-N	372.255	5.641	50	40	FKGB	
N#C/C(=C1\SC[C@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1	11698080	YTAOBBFIOAEMLL-NXXVSJRMSA-N	354.287	5.061	50	40	FKGB	in-vitro
N#C/C(=C/c1ccccc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1	13766319	CHHGDKAIBZBPBB-AUWJEWJLSA-N	366.829	5.256	50	40	FKGB	
CCC(CC)=NNC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	6559072	UNIROQBIEMUPIS-UHFFFAOYSA-N	358.869	5.133	50	40	FKGB	
CCCCCCCCCCCCOc1ccc(/C(C)=N/NC(N)=O)cc1	102628133	TVWYERMBQUISBI-PTGBLXJZSA-N	361.530	5.379	50	40	FKGB	
CCOc1cc(C)c(/C=N\NC(=O)c2cc3ccccc3o2)cc1C(C)C	408938423	HTEWPJCNGBORRY-QRVIBDJDSA-N	364.445	5.027	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	7165166	QDDVUQNXBWBLIN-YRNVUSSQSA-N	351.620	5.192	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1cccc(Br)c1	15229431	MOMCOAVTGCRODD-QINSGFPZSA-N	365.230	5.010	50	40	FKGB	
CC(/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl)=C\c1ccccc1	16136529	GMGJDZYTSROURA-RJSPBKBSSA-N	357.240	5.485	50	40	FKGB	
c1ccc(C[PH](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1	104121349	BHQKNCLOQILMRB-UHFFFAOYSA-N	368.460	5.788	50	40	FKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1F	1071268	FBVPHAYZQWXXEQ-QGOAFFKASA-N	370.402	6.032	50	40	FKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	35525283	BUFUFXZPTJJUBH-JJFYIABZSA-N	373.239	5.326	50	40	FKGB	
CCCCCC[C@H](CCl)OCCOCCN(CCCC)CCCC	5418398	JWXHWKFPDBBDFK-HXUWFJFHSA-N	364.014	5.500	50	40	FKGB	
CCCCCCCCCCC(=O)OC(=O)CCCCCCCCCC	85976795	DGJTZXXNXZVULP-UHFFFAOYSA-N	354.575	7.118	50	40	FKGB	
CCCCCCCCCCCCCC[C@@H](CCl)[n+]1ccccc1C	100932042	CVUGTJJVHUVEDB-QFIPXVFZSA-N	353.014	7.154	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2C(C)=CC1(C)C	208512511	BEGAMORGEVHZRJ-PDGQHHTCSA-N	368.484	5.649	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(F)c1	409393625	RLOJAAVEOSFIQD-UNOMPAQXSA-N	363.819	6.122	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3o2)cc1OCC	408527928	DIESEDHTXRRXAB-GHRIWEEISA-N	362.429	5.470	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1cccnc1	408779193	SCEVROOSICZRMQ-SXGWCWSVSA-N	368.267	5.860	50	40	FKGB	
Clc1ccc([C@H](Cl)C(Cl)(Cl)c2ccc(Cl)cc2)cc1	1596156	PCHMQSALZXYIBF-ZDUSSCGKSA-N	354.491	6.604	50	40	FKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	3220031	FYSBLJNTLHSBCJ-RVDMUPIBSA-N	372.390	5.549	50	40	FKGB	
CCC(C)(C)C1CCC(=NNC(=O)c2cc(Cl)ccc2OC)CC1	4155651	XEHFKOFNYRLIHR-UHFFFAOYSA-N	350.890	5.061	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cccc(Cl)c4)o3)nc2c1	4855431	YNAKLMDEWODBEI-RVDMUPIBSA-N	359.816	5.849	50	40	FKGB	
CCCC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1	12403584	UPCCCWPLTHQWHK-WJTDDFOZSA-N	356.469	5.678	50	40	FKGB	
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC[P@](=O)(F)OC	14880358	KWKZCGMJGHHOKJ-PDXKBQATSA-N	370.489	7.941	50	40	FKGB	in-vivo
CCOC(=O)/C(C#N)=C1/CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	96113526	YDVVOXNUMWFYCY-MPIYWYNNSA-N	369.549	5.802	50	40	FKGB	biogenic
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2cccc3ccccc23)cc1	408776722	PZLITLZSIGCRGB-SILNSSARSA-N	369.468	5.232	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c2ccccc12	59432638	NBOZHRNGEDBVLC-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1	408580712	RDBPXMBJPWCBOF-XNTDXEJSSA-N	374.665	5.731	50	40	FKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409393939	TWXDUTXNNBVKOB-YBEGLDIGSA-N	373.269	5.499	50	40	FKGB	
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	13324333	DZXGDLAKZTXDBZ-WSJMOLPHSA-N	368.908	5.281	50	40	FKGB	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	2669618	WQSBQENFBQVMAR-SDNWHVSQSA-N	363.335	5.216	50	40	FKGB	
CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1	4063709	VKCOCSATYIQJPZ-GHRIWEEISA-N	361.470	5.358	50	40	FKGB	
Cc1ccc2nc(-c3ccc(NC(=O)C(Cl)Cl)cc3)sc2c1	4105002	SNZNMNZZJQIQML-UHFFFAOYSA-N	351.258	5.014	50	40	FKGB	
N#C/C(=C\c1ccc(Br)cc1)Sc1nc2ccccc2s1	6345356	KDLQLOCJPJPPPO-UKTHLTGXSA-N	373.300	5.716	50	40	FKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)c1	408805036	CMPRQXWUXFCZNY-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1	4712271	QWDXIFPBGHJJQX-HYARGMPZSA-N	358.460	6.421	50	40	FKGB	
C=C/C=C(\C=C/CCl)c1nc2cnccn2c1Nc1ccccc1C	4733428	IYQMZHZGJPBGHH-ATPUMGGESA-N	350.853	5.146	50	40	FKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(C)cc2)nc1-c1ccc(C)cc1	4899152	XUHZCQFBPWPLEN-XDHOZWIPSA-N	373.481	5.450	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\[C@H](C)CCCC(C)C	104070556	GNFCDZFGKCYLRP-OYADDEIPSA-N	371.396	5.913	50	40	FKGB	
Cc1ccc(/C=C/C=C(\C#N)c2nc(-c3cc(C)c(C)cc3C)cs2)o1	14671763	CCVNWCAGPLQJGX-FHKLBSDKSA-N	360.482	6.257	50	40	FKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc2ccccc2o1	15434673	XAAHLKSNBPQGMP-UHFFFAOYSA-N	355.608	5.150	50	40	FKGB	
CCCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1	2162426	PFWPEICVADQUKT-BUVRLJJBSA-N	372.424	5.139	50	40	FKGB	
N#C/C(=C/C=C/c1ccccc1)c1nc(-c2ccc3c(c2)OCO3)cs1	13775147	RBGVCWQFQTWQLO-GUSDSWBTSA-N	358.422	5.159	50	40	FKGB	
CCn1c(C)c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	408587138	QYIOHYVIMGDAAR-XNTDXEJSSA-N	355.268	6.341	50	40	FKGB	
CCOc1cc(C=C(C#N)C#N)cc(Cl)c1OCc1ccc(Cl)cc1	408813149	OIGWUGBBIRZLBN-UHFFFAOYSA-N	373.239	5.402	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2nc(C3CC3)cs2)ccc1OC(C)C	17307195	YWBIETVCZNTMHL-CXUHLZMHSA-N	354.475	5.271	50	40	FKGB	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1	409229379	OFOKDFMQDUKXNF-DHDCSXOGSA-N	358.363	5.176	50	40	FKGB	
CC/C(=N/NC(=O)c1ccc(C(C)C)cc1)C12CC3CC(CC(C3)C1)C2	4651678	NQKVAPZSIWMWQM-FLFQWRMESA-N	352.522	5.522	50	40	FKGB	
CC[C@H](C)/C(C)=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	5784300	HFEXZRLJBODHGB-XLOANJQZSA-N	372.896	5.379	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	14361378	DSTHXTXNECXQIB-NBVRZTHBSA-N	357.457	5.112	50	40	FKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Cl)c1OC	33684845	DKBWDKBJJOPGHE-GHXNOFRVSA-N	356.834	5.031	50	40	FKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1	97960400	MIDGPZZYNJCJTL-JJIBRWJFSA-N	370.468	5.329	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1ccc(Br)cc1	139991204	CUAUUCOACNAWNE-JXAWBTAJSA-N	367.290	5.504	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc12	408807915	IIRFJRJVOITWEB-AWZALFRUSA-N	370.452	5.023	50	40	FKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1ccccc1F	408873774	WWYFDEJZNPWIBP-XMHGGMMESA-N	374.390	5.101	50	40	FKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	2289995	WCWLYPKLGKJRJV-VBKFSLOCSA-N	365.889	6.002	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(Cl)c1	408598541	CSIJVEHQLQYLJU-NTEUORMPSA-N	374.654	6.971	50	40	FKGB	
O=C(CCCCCCl)NCCSCc1c(Cl)cccc1Cl	2576626	DQCAYFCYUJQNPH-UHFFFAOYSA-N	368.757	5.142	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3)n2)cc1	6356354	NCANETZBNUFXRN-YVLHZVERSA-N	350.874	6.090	50	40	FKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl	408566888	BIGUXZYSECEURA-QPEQYQDCSA-N	355.800	5.207	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c1	1100180	VCIMMTNCGVZPKD-KGENOOAVSA-N	368.436	5.120	50	40	FKGB	
Cc1ccc(-c2nc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)sc2C)cc1	4313659	HMJCVPPATURNOY-LICLKQGHSA-N	361.426	5.399	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccs1	4739377	JMAXKKGJFFSPDR-DJKKODMXSA-N	365.241	5.079	50	40	FKGB	
N#C/C(=C/c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1	4784836	LGSVXFBZPWMEDN-GDNBJRDFSA-N	367.271	5.637	50	40	FKGB	
N#C/C(=C/C=C/c1ccco1)c1nc(-c2cc3ccccc3oc2=O)cs1	25608000	FKIHJRDYRHVFAJ-BKFDQRRYSA-N	372.405	5.130	50	40	FKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)c1	59335549	GBFWMMXEHGPAPI-UYRXBGFRSA-N	370.408	5.003	50	40	FKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	1249286	LKCOBOUIRUGSAP-XDHOZWIPSA-N	373.481	5.606	50	40	FKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1ccccc1F	408877411	RLNSCIZZKZYECS-XMHGGMMESA-N	374.390	5.101	50	40	FKGB	
C/C(=N\NC(=O)c1csc2ccccc12)c1cc(Cl)ccc1Cl	5517028	PVZOVILSTAWFRJ-KEBDBYFISA-N	363.269	5.362	50	40	FKGB	
N#C/C(=C/C=C/c1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13773661	ZRPCRYUCXXVSOV-KCTVJHQVSA-N	359.410	5.339	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1	13942804	DPXZJKLADQVJBM-DTQAZKPQSA-N	366.486	5.095	50	40	FKGB	
CCc1cc2c(cc1[C@@]1(C)OC[C@H](CCl)O1)C(C)(C)CCC2(C)C	5477212	IQPQJBYDIZUVFQ-BTYIYWSLSA-N	350.930	5.425	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1Cl	20787091	YTLGQTZOKKBQCE-YRNVUSSQSA-N	351.620	5.192	50	40	FKGB	
Cc1cc(C(=O)/C(C#N)=C\c2cccs2)c(C)n1-c1ccccc1F	33479442	MKEOJMYBHWKTPG-PTNGSMBKSA-N	350.418	5.085	50	40	FKGB	
O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(-c2ccccc2)cc1	59489071	VUSXYUZKYWCWLN-UHFFFAOYSA-N	374.443	5.516	50	40	FKGB	
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)NCCCl	98044204	SCJNCDSAIRBRIA-CGRWFSSPSA-N	365.989	6.487	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(F)cc1	409094363	DSCSQSMPOUKXEU-LGMDPLHJSA-N	365.860	6.694	50	40	FKGB	
O=C(CCCCBr)c1cccc(OCc2cccc(F)c2)c1	575357608	OJGCVZXIKZUUPF-UHFFFAOYSA-N	365.242	5.153	50	40	FKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC)cc3)n2)cc1	4843927	FPNBYXBWLHPTIN-XSFVSMFZSA-N	374.509	6.225	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C)c3C)n2)c(C)c1	6415174	WGWHMDZVJYHIHD-LDADJPATSA-N	359.498	6.020	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1F	33385982	AITNPARLONPRMZ-QBFSEMIESA-N	371.889	6.756	50	40	FKGB	
COc1cccc(-n2c(C)cc(/C=C(\C#N)c3cccc([N+](=O)[O-])c3)c2C)c1	106373402	YBYBVWOLGQTAMW-YBFXNURJSA-N	373.412	5.075	50	40	FKGB	
COc1cc(Cl)c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)cc1OC	408585125	AQCVTGRCUVNXMF-LFYBBSHMSA-N	368.647	5.728	50	40	FKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl	408880050	INPUABPEGXNQID-GHRIWEEISA-N	368.864	5.373	50	40	FKGB	
N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1	408885042	WUEZYIAPPYRIAL-XMHGGMMESA-N	374.390	5.101	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccc(F)cc1	1687582	DOVISGKQJPCARG-LPYMAVHISA-N	353.268	5.169	50	40	FKGB	
O=P(C(=S)Nc1cccc(Cl)c1)(c1ccccc1)c1ccccc1	2577605	LGBHQNSOHFQMQU-UHFFFAOYSA-N	371.829	5.051	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)c1ccccc1	4599807	QBPKFZBPFNUYHG-XSFVSMFZSA-N	357.384	5.195	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)c1ccccc1	5899495	JMGNOXPDLKSNLZ-XSFVSMFZSA-N	373.839	5.709	50	40	FKGB	
Cn1c(/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)nc2ccccc21	33504678	IMUYTKCHNDGFGX-SDXDJHTJSA-N	351.409	5.430	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl	408566768	BCPNVDWKYBZLHQ-UGMNDJHYSA-N	369.827	5.597	50	40	FKGB	
CN(C)c1ccc([C@H](Cl)[C@@H](Cl)C(=O)c2ccc(Cl)cc2)cc1	1685479	WMSSOOBBXJIYDA-JKSUJKDBSA-N	356.680	5.176	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCCOc1ccccc1	26607913	KXADLWRCBBBWGB-LTGZKZEYSA-N	371.436	5.217	50	40	FKGB	
N#C/C(=C\c1ccc2[nH]c3ccccc3c2c1)C(=O)Nc1ccccc1F	408804867	ZTZMFXBORUPQIA-RVDMUPIBSA-N	355.372	5.006	50	40	FKGB	
CCOC(=O)c1cccc(O[Si](C)(C)C(C)(C)C)c1CBr	953019292	OSOFWCFWGNKPTL-UHFFFAOYSA-N	373.363	5.142	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(C(C)C)cc3)n2)c(C)c1	6472876	NFLNFWFKRYYDRL-NDENLUEZSA-N	358.510	6.615	50	40	FKGB	
Cc1csc(/C(C#N)=C\c2ccc(COc3c(C)cccc3Cl)o2)n1	6924874	BCHLWSVWJQFSOT-ZSOIEALJSA-N	370.861	5.650	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Br)s1)c1ccccn1	12758773	ZIJPWVQRWMPIBK-ACCUITESSA-N	367.271	5.637	50	40	FKGB	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CCCC[C@@H]1CO	102152790	DYEKOCOQMUNRSV-MFKMUULPSA-N	374.375	5.017	50	40	FKGB	
CSc1ccc(/C=N/NC(=O)[C@H](c2ccccc2)C2CCCCC2)cc1	408723854	VPVSRRKPLXNQGV-BQNPTPDXSA-N	366.530	5.223	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc12	4503773	HPIYCRFMQQZVFC-ZVHZXABRSA-N	374.827	5.517	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3C)c2C)cc1	16162098	RITJFCXIEHZDAQ-IWIPYMOSSA-N	374.488	5.121	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)c1cccc([N+](=O)[O-])c1	33773362	CFPYEJYAWKPVOK-RGEXLXHISA-N	369.424	5.412	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)c(C)c1	96024161	PKXJAMUYVSRFOZ-PTNGSMBKSA-N	365.889	6.057	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)cc1C	96024162	MKKVNNRHHAYEFB-WJDWOHSUSA-N	365.889	6.057	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1	408744984	OMFNWRDYOGFDIW-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
CCc1ccc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	409361268	BZHKMNBFVQKBOM-YZSQISJMSA-N	366.464	5.248	50	40	FKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	5777360	QAKILANCMVSRNP-RVDMUPIBSA-N	367.235	5.692	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(F)cc4)c3C)[nH]c2c1	33492146	JOSPJRRRIHKCKN-PDGQHHTCSA-N	370.431	5.482	50	40	FKGB	
CC(=O)Nc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	100071279	HIWWEMWYEQTKFM-SFQUDFHCSA-N	374.469	5.054	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc([N+](=O)[O-])cc1	33347195	MXMNLHAOMNTRGV-UYRXBGFRSA-N	374.371	5.377	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl	144227638	NNSMHTACVMJHHI-VBKFSLOCSA-N	357.284	6.048	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1Cl	853119	HQPLDFLVGDZLMY-NTCAYCPXSA-N	362.816	5.047	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1	937121	KRIANJBXLRJQDP-RVDMUPIBSA-N	350.761	5.572	50	40	FKGB	
O=P(c1ccccc1)(c1ccccc1)C1Sc2ccccc2S1	3145400	LTZNWRQCJYTDCO-UHFFFAOYSA-N	354.436	5.182	50	40	FKGB	biogenic
CC[C@H](C)Oc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OC	6356027	CWEXSQFLQQOGBI-TYSUYXETSA-N	357.453	6.090	50	40	FKGB	
Cc1ccnc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)c2C)c1	16348338	MMJGQHJPWFOWMN-UNOMPAQXSA-N	367.456	5.046	50	40	FKGB	
CCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2)cc1	98001496	WZXVCZJFMMMPHJ-LYBHJNIJSA-N	366.505	5.580	50	40	FKGB	
CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)c1	408566012	CWSJELKEQLWIEG-MOSHPQCFSA-N	368.392	5.059	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	2846979	VVLCFYAQQNXBMF-OQLLNIDSSA-N	358.224	5.078	50	40	FKGB	
C[C@H](c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104153475	QZFCQVKSDBBQOE-JOCHJYFZSA-N	368.460	5.474	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C	208190460	IJVPCHCAUWNIOP-UEXNTNOUSA-N	373.500	5.263	50	40	FKGB	
CCCOc1ccc([C@]23C[C@@H](C)C[C@H](C[C@@H](C)C2)C3)cc1C=C(C#N)C#N	254566113	DPHVQGWCALBMCP-HQWLIXQVSA-N	362.517	6.010	50	40	FKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	408799643	HFXWPPZOQMOVEG-KPKJPENVSA-N	365.647	5.501	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2ccco2)cs1	4784447	DLFGPGNUOGHRME-CPNJWEJPSA-N	354.434	6.134	50	40	FKGB	aggregator
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)c1nc2ccccc2s1	5027286	PCPKVSYIXAXRFD-RVDMUPIBSA-N	372.405	5.319	50	40	FKGB	
CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC[P@](=O)(F)OC	38141007	KWKZCGMJGHHOKJ-AOCWKWSOSA-N	370.489	7.941	50	40	FKGB	
C/C(=N\NC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1ccccn1	104258352	RQPJWNJDXSHFKM-XJPJTDEBSA-N	358.405	5.043	50	40	FKGB	
N#C/C(=C\c1ccccc1Sc1ccccc1)c1ccc2ccccc2c1	408551552	NGYHGNYXFBYYFB-HAVVHWLPSA-N	363.485	7.055	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1	5128126	IYJXCWHNVALIMD-PCLIKHOPSA-N	367.452	5.011	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1F)c1ccc(C(=O)O)cc1	408541083	DQLVUDXUUIBGKL-MOSHPQCFSA-N	373.383	5.167	50	40	FKGB	
ClC[C@H](COc1ccccc1)S[C@@H](CCl)COc1ccccc1	5684306	FRTLYGLFPURWBE-HDICACEKSA-N	371.329	5.092	50	40	FKGB	
C=C(C)[C@@H](CC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12)OO	85645840	ILYZUSHBLPOZIC-LEHPZIBWSA-N	370.401	5.079	50	40	FKGB	biogenic
CCCCCCCCOc1ccc(C(=O)N/N=C(/C)c2ccccc2)cc1	100044980	IYIVANYZDWTWEM-CLCOLTQESA-N	366.505	5.580	50	40	FKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OC(C)C	169956306	AYQTXFUNAYBKQH-YVLHZVERSA-N	361.445	5.040	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1cccnc1	408775437	STONXRBUBQVNHZ-WQRHYEAKSA-N	367.374	5.572	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1	408778116	BFKMBVSOWJLWRS-BOPFTXTBSA-N	367.279	6.465	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(Cl)c1	409007407	OOPGNJSKLRHMJQ-UCQKPKSFSA-N	366.848	5.046	50	40	FKGB	
COc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1	6646996	XBKGUZHTHRNYOH-SDNWHVSQSA-N	367.861	5.449	50	40	FKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)cc1	83317416	OMPKPZCRSGWHGX-RCCKNPSSSA-N	367.404	5.004	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)c1	213089692	XLICLLLFCFKFSM-RGEXLXHISA-N	354.409	5.333	50	40	FKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408812003	KYHKYJDQANAOEY-SERMCNLOSA-N	363.244	5.075	50	40	FKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408813891	YVBOSQVIZRIYBK-LWMMSDEHSA-N	363.244	5.075	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(C(F)(F)F)cc1	409019178	ZCQVTVRCXTTXJF-BOPFTXTBSA-N	364.326	5.901	50	40	FKGB	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2669608	KVQWIJZLKZJZCI-ZRDIBKRKSA-N	364.228	5.504	50	40	FKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(F)c(Cl)c1	3342300	KNNOJVXMVXSQHP-XNTDXEJSSA-N	350.780	5.178	50	40	FKGB	
Cc1ccc(-c2csc(C(C#N)=C3CCC(c4ccccc4)CC3)n2)cc1	4133384	NQNAQCBOJAVTCY-UHFFFAOYSA-N	370.521	6.754	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1	408741145	KIHGRTDSPVJDGJ-UYRXBGFRSA-N	363.819	6.122	50	40	FKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	409123271	BLSXRLGNCMNEEA-BXDFRRGMSA-N	368.546	5.314	50	40	FKGB	
O=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCCCC1	409144928	PPLSZKIODWMNOI-UHFFFAOYSA-N	359.322	5.053	50	40	FKGB	
Cc1ccn2c(/C=C(\C#N)c3ccccn3)c(-c3ccc(Cl)cc3)nc2c1	4002370	DPXIKNRUQJIOML-GHRIWEEISA-N	370.843	5.422	50	40	FKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2)c1	33491512	YLPBILSJISKSLP-HMAPJEAMSA-N	369.420	5.336	50	40	FKGB	
ClC1=C[C@@H]2[C@H]3[C@@H]4[C@H](C4(Cl)Cl)C4(CC4)[C@H]3[C@@H]([C@H]1Cl)C21CC1	100675379	UCMPKRWKCHKHFK-NTMFFSGRSA-N	350.116	5.202	50	40	FKGB	
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](Cl)c1ccccc1	575360833	JCLFZVPDZDUYKP-ZDUSSCGKSA-N	366.688	5.887	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc(F)cc1	2958362	UDEUMTOTUGJQLY-UDWIEESQSA-N	373.383	5.167	50	40	FKGB	
N#C/C(=C\Nc1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)cs1	4175223	AXUOAJLEGPVLDX-JLHYYAGUSA-N	355.825	5.579	50	40	FKGB	
Cc1cc(C(=O)NN=C2CCCCCCCCCCC2)c2ccccc2n1	6188742	IPUDNBASMZRIFO-UHFFFAOYSA-N	365.521	5.934	50	40	FKGB	
COc1cccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)c1	12823506	UMKAFOZORAHBOJ-KPKJPENVSA-N	360.360	5.388	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OC	409067231	PTBBITKMVSOKKH-SFQUDFHCSA-N	360.413	5.028	50	40	FKGB	
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)N/N=C/c2cccc3ccccc23)cc1	5632577	SMDJHHZAFGWUAP-KWABMHPSSA-N	370.496	5.391	50	40	FKGB	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	33405774	FYSBLJNTLHSBCJ-PTNGSMBKSA-N	372.390	5.549	50	40	FKGB	
O=P1(C(c2ccccc2)c2ccccc2)O[C@H]2CC(Cl)C[C@@H](C2)O1	1707924	FDFMNOCBHFDPCN-SNTJIJGESA-N	362.793	5.544	50	40	FKGB	
O=C(CSCc1ccccc1)NN=C1CCCCCCCCCCC1	4481478	UCULXTJNCPTVIB-UHFFFAOYSA-N	360.567	5.697	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(F)c3)n2)cc1	17314925	ARRGHTRULRCYOC-NTCAYCPXSA-N	365.433	5.324	50	40	FKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1C(C)(C)C	409018486	WBPPYOHYHBZAMV-JJFYIABZSA-N	371.868	5.023	50	40	FKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC	409393621	RLHQAPMWAHIYLG-KHAFMBKQSA-N	359.828	5.729	50	40	FKGB	
Cc1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(C)cc2)cc1	3267871	YPHRIEYRNMAVGS-UHFFFAOYSA-N	364.832	5.279	50	40	FKGB	
N#CC1=C(N)OC2=C(CCc3ccccc32)[C@H]1c1ccc(Cl)cc1Cl	19897620	OGIIVGVSHSXRDD-GOSISDBHSA-N	369.251	5.159	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(C(C)(C)C)cc1	33619003	BNKLTGUBPOTBNC-HKWRFOASSA-N	372.487	6.595	50	40	FKGB	
CSC1=C(C#N)[C@H](c2ccccc2)C(C(C)=O)=C(C)N1Cc1ccccc1	67257861	SNBAXFZXASSHAS-QFIPXVFZSA-N	374.509	5.247	50	40	FKGB	
O=C(Cl)c1ccc2nc(-c3ccccc3Br)sc2c1	73740371	XHRGKKVMTDNZEQ-UHFFFAOYSA-N	352.640	5.105	50	40	FKGB	
CCCCCCCCCCCCCCCC(=O)OCCOCCCl	100070416	UDDWHNDACGNGAJ-UHFFFAOYSA-N	362.982	6.266	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1Cc1ccccc1	408570167	SIIZUEBHOBHYRF-ODLFYWEKSA-N	370.431	5.233	50	40	FKGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408579670	JJEFZQJCKRHBOU-NTEUORMPSA-N	358.224	5.078	50	40	FKGB	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2669680	MYADAAGRDDIKPV-UTEVDWOZSA-N	364.228	5.502	50	40	FKGB	
CCc1ccc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)cc1	2750736	NOQSNHUKOUGGSN-SRZZPIQSSA-N	356.878	5.189	50	40	FKGB	
N#C/C(=C\Nc1cc(Cl)ccc1Cl)c1nc(-c2ccccc2)cs1	4175277	PGGCWHKZQAOYGC-JLHYYAGUSA-N	372.280	6.093	50	40	FKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)(C)C)cc2)cc1	6854041	NQOSKBQFRZZFCN-SILNSSARSA-N	360.501	5.872	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1	59335122	MLLDLHOYOBZAKY-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	103138641	LPAXPOXEIFCVOM-JJFYIABZSA-N	373.239	5.326	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	1101220	IGMBIKFPSILZAE-WOJGMQOQSA-N	361.376	5.206	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc2ccccc12	6283529	VLNZAHHGUUWOTM-XNTDXEJSSA-N	367.235	5.692	50	40	FKGB	
O=C(O)c1cccc(/N=N\c2ccc(N(CCCl)CCCl)cc2)c1	104184660	QFZLVFBSTFNLJL-MRCUWXFGSA-N	366.248	5.084	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccc1	408770866	ANSCYVLPXXNRNU-UYRXBGFRSA-N	366.386	6.177	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccc(Cl)cc1	6209353	UMBKEMYXEBREAO-DHZHZOJOSA-N	351.620	5.192	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)C2	20158841	DRHKBOVDEKVAID-SSDVNMTOSA-N	365.304	5.316	50	40	FKGB	
CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	105407914	FUUSLWRPHXMJHH-NKFKGCMQSA-N	360.501	5.737	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(Cl)c1	408599631	XWBCNPFWTWSSOL-PTNGSMBKSA-N	373.761	6.683	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2)cc1	409249615	NQQQSXCTCAGUOQ-UYRXBGFRSA-N	361.897	6.864	50	40	FKGB	
CC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(Cl)cc1	4646881	AWQQKQVYJWKBRE-DARPEHSRSA-N	362.860	5.551	50	40	FKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccccc1	4511061	LUXSXNKJNXTNFE-NDENLUEZSA-N	371.849	5.240	50	40	FKGB	
COc1ccccc1-c1csc(/C(C#N)=C/c2ccc(Cl)cc2)n1	4844208	VCECPURQHUJZOR-GXDHUFHOSA-N	352.846	5.536	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)c1nc2ccccc2[nH]1	16525061	DBTSWJFRQKEBIZ-LCYFTJDESA-N	363.779	5.680	50	40	FKGB	
CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19818123	ZWACPOASERSGFC-JTSKRJEESA-N	374.871	5.225	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl	408796956	PXQRFLHEUWQKJQ-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
CCCCCCCCC[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21	3186152	KDLIICVHISRKHO-KRWDZBQOSA-N	364.493	5.387	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1Cl	4149587	ULZDCAKNLSWEFQ-XNTDXEJSSA-N	359.816	5.849	50	40	FKGB	
O=C1[C@@H](Cl)N(c2ccc(Cl)cc2Cl)[C@@H]1c1c[nH]c2ccccc12	5594145	YDRUBTPXMIELJK-WBVHZDCISA-N	365.647	5.170	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(/C#N)c1ccc(Br)cc1	17074851	YBNVBPGIRSQZKR-VBKFSLOCSA-N	364.242	5.675	50	40	FKGB	
C=CCOc1ccc(Br)cc1/C=C(/C#N)c1cccc(Cl)c1	408599493	VPSXSEZZTOBKPR-DHDCSXOGSA-N	374.665	5.731	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(C)(C)C)cc1	408776607	WZABCFXCDIZDKT-WSDLNYQXSA-N	363.288	5.445	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)cc1C	408810407	MCYRIEPQUIGVGI-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
C#CCOc1ccc2ccccc2c1/C=C(/C#N)c1ccc2ccccc2c1	33739447	NHAFTLZOQLOPOM-QJOMJCCJSA-N	359.428	6.069	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	1773125	CDUHPBKRPNMXPF-XDJHFCHBSA-N	356.425	5.174	50	40	FKGB	
C[C@H](Sc1ccccc1)C(=O)NN=C1CCCCCCCCCCC1	4714668	QSOAPIKFIMMERZ-SFHVURJKSA-N	360.567	5.944	50	40	FKGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1c(Cl)cccc1Cl	6240163	KEXMUPUEZYQHLI-VQHVLOKHSA-N	369.610	5.332	50	40	FKGB	
CCC(=O)Nc1sc(/C(C#N)=C\c2ccccc2)nc1-c1ccccc1	31902288	LOFXDBGVABHDPD-LGMDPLHJSA-N	359.454	5.223	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(N4CCCCC4)c(F)c3)[nH]c2c1	33438922	KWKWTGLZGSERAW-ATVHPVEESA-N	360.436	5.065	50	40	FKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1	408741385	IPFPMDDVRYZNOD-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@H](C)SCc1ccccc1	408843829	UGDBEZKIAKJEAP-LWJGVMBGSA-N	368.546	5.168	50	40	FKGB	
C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C	1565504814	NBALLXXQBOROKD-JKSUJKDBSA-N	355.595	5.352	50	40	FKGB	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC(c4ccccc4)CC3)cc2C1	6052320	JGJCXYBAQFXZMK-LDCVWXEPSA-N	366.530	5.317	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(C#N)cc1	408550757	JQKASESEJJRAIK-MYYYXRDXSA-N	373.459	6.183	50	40	FKGB	
N#C/C(=C/c1cccc(I)c1)c1ccc(Cl)cc1	409344510	HBXBQIXTXGZWOI-JYRVWZFOSA-N	365.601	5.009	50	40	FKGB	
O=C(N/N=C/c1ccccc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	2201080	RBMINSSYAWZBPU-ZVHZXABRSA-N	373.843	5.252	50	40	FKGB	
BrCc1ccccc1Sc1ccccc1CBr	2557615	NZFVHTDPGHVCOL-UHFFFAOYSA-N	372.125	5.628	50	40	FKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cc1	33406498	VDDUKACRNBKRFT-SILNSSARSA-N	369.468	5.232	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccccc1F	40144563	BAURFNNCXPQTJN-NBVRZTHBSA-N	366.395	5.678	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)Sc1nc2ccccc2s1	35199670	LLMVSWBVZWUNFO-GXDHUFHOSA-N	372.902	6.005	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	212119810	GBPOIXTWNBLIOY-JXAWBTAJSA-N	356.425	5.093	50	40	FKGB	
CCO[Si](CCCn1c2ccccc2c2ccccc21)(OCC)OCC	221131225	IQVYIPWLBNFVHD-UHFFFAOYSA-N	371.553	5.233	50	40	FKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)c1	408540866	CGAGYNTYUZRDBS-XKZIYDEJSA-N	370.452	5.473	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1)c1ccc(I)cc1	28297226	VNZDUQPECAPREG-LCYFTJDESA-N	365.601	5.009	50	40	FKGB	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	33410359	BKYYANPYJXNDOS-LGMDPLHJSA-N	368.864	5.311	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc2ccccc2c1	408549780	YWXBUCSMQCFRGQ-ZHZULCJRSA-N	355.824	6.817	50	40	FKGB	
CSc1ccc(/C=N/NC(=O)[C@@H](c2ccccc2)C2CCCCC2)cc1	408723855	VPVSRRKPLXNQGV-UYSKRRQASA-N	366.530	5.223	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(F)ccc3C)n2)cc1	875576	IGTAJACTHGSTME-PTNGSMBKSA-N	365.433	5.243	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Br)cc1	408530488	MADKEJHXVWAWBM-GHXNOFRVSA-N	363.598	5.075	50	40	FKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c2ccccc12	408745064	JKJCYNYODGKZFJ-QINSGFPZSA-N	362.816	5.047	50	40	FKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(F)cc1	409245130	NVZALRTVRCVYCD-FYJGNVAPSA-N	370.402	6.032	50	40	FKGB	
N#CC(C#N)=C1C=C(c2ccccc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]12	96346823	KABBQJMJEIXGSI-VWNXMTODSA-N	365.480	5.446	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3F)n2)cc1	100936251	MCRDNSDZANEQNP-JLHYYAGUSA-N	369.396	5.073	50	40	FKGB	
CCn1c(C)c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409370690	CHSPPFQJTHQENB-SSDVNMTOSA-N	374.271	5.040	50	40	FKGB	
CC(C)(C)[Si](C)(C)Oc1ccc(CO)cc1O[Si](C)(C)C(C)(C)C	669370001	VQXBMHBNSMMAOR-UHFFFAOYSA-N	368.666	5.947	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1	1453274	SHTDLSUPRDLHHS-UKTHLTGXSA-N	358.199	6.457	50	40	FKGB	
N#C/C(=C/c1cccs1)c1nc(-c2cccc(Br)c2)cs1	4672093	ZNHGBQUOCYWKRY-WQLSENKSSA-N	373.300	5.698	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1C1CCCCC1	408740275	JSYWKDSQTBBUSC-PCLIKHOPSA-N	373.500	5.527	50	40	FKGB	
Cc1c(C)c(C)c(CP(=O)(c2ccccc2)c2ccccc2)c(C)c1C	2577622	LVJBDMNJQPSKMA-UHFFFAOYSA-N	362.453	5.743	50	40	FKGB	
CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)CCCCl)cc3)nc2c1	8196594	ZIXXKBWGILYTTE-CQSZACIVSA-N	370.880	5.966	50	40	FKGB	
N#C/C(=C\c1ccoc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1	12560940	CPLIDGBVPMXGTM-UDWIEESQSA-N	360.482	6.515	50	40	FKGB	
CCCCSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(O)CCCC2=N1	103158724	YTDNGTGLQKFDNH-LJQANCHMSA-N	352.503	5.798	50	40	FKGB	
c1ccc(Oc2ccccc2P(c2ccccc2)c2ccccc2)cc1	136491854	ZZJIHQMNITVGGE-UHFFFAOYSA-N	354.389	5.237	50	40	FKGB	
CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NCCCl	256930252	SCJNCDSAIRBRIA-LIJGZOPESA-N	365.989	6.487	50	40	FKGB	
O=C(c1ccc(COc2cc(F)ccc2F)cc1)[C@H](Cl)c1ccccc1	575358227	NZXUOHHEMUEZDS-HXUWFJFHSA-N	372.798	5.707	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc(F)c1	1059544	AHFXURXPYXOTOQ-UKTHLTGXSA-N	368.751	5.711	50	40	FKGB	
O=C(Nc1ccc(N=C=S)cc1Cl)c1cc(Cl)cc(Cl)c1O	1562766	WEZFEBZMOVTRFR-UHFFFAOYSA-N	373.648	5.339	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@H](Cl)[C@H](Cl)c1ccc(Cl)s1	1685388	SUEQMBIHNLAWET-NXEZZACHSA-N	360.114	5.887	50	40	FKGB	
Cc1ccsc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	33828960	OODFABRFBIXDPB-UCQKPKSFSA-N	371.465	5.036	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1N1CCCC1	408859112	WOYZUJVNYPARJS-LFIBNONCSA-N	357.284	5.966	50	40	FKGB	
COc1cccc(C(=O)N/N=C/c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1	3075205	SYMQCMXWWGGVFJ-BUVRLJJBSA-N	366.505	5.054	50	40	FKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	3188613	DVNWYZYZUMYGKX-OBGWFSINSA-N	366.436	5.330	50	40	FKGB	
N#CC(C#N)=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	4064248	HGBYTUKRSXWOCX-UHFFFAOYSA-N	371.443	6.242	50	40	FKGB	
CC(C)CC(CC(C)C)=NNC(=O)COc1ccccc1-c1ccccc1	5414938	JYFLZUWHVYKLMB-UHFFFAOYSA-N	366.505	5.297	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3cccc([N+](=O)[O-])c3)c2C)cc1	33664758	CLEOEHFFXLASGA-UDWIEESQSA-N	357.413	5.375	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1F	108034209	SNXGUBJDYCJDTH-PDGQHHTCSA-N	374.371	5.377	50	40	FKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(F)cc3)cc21	208474193	WCRMYHSWDDSDSF-MFOYZWKCSA-N	366.867	6.175	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408892643	BNLRRFYNIMAEGF-GHRIWEEISA-N	367.880	5.040	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(Br)cc1	409017394	WGCHIJSIEISLJR-PTNGSMBKSA-N	368.205	5.912	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1	948281	UDEFMKGIWRCBNI-LFIBNONCSA-N	369.262	5.118	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3cccc4ccccc34)n2)cc1	3899033	RGUTYEKOEDERPG-MOSHPQCFSA-N	352.462	6.336	50	40	FKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C)cc1C	4610349	ABPMRAWLVFTXJK-FYJGNVAPSA-N	356.878	5.326	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cc(C)cc(C)c1	4893954	KYPDSLPHIMVRMX-AQTBWJFISA-N	356.425	5.011	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)o2)cc1	33451762	PQNOISNBAVRLRA-ATVHPVEESA-N	361.422	5.502	50	40	FKGB	
N#CC(/N=N/c1ccc(Cl)cc1Cl)=C(\O)c1ccccc1Cl	103743959	FEPLCHINOHNVGO-SMOVNBQISA-N	352.608	6.181	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OC	408548669	KXGHCXYWZFULQG-GRSHGNNSSA-N	363.844	5.965	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(C(=O)O)c2)o1)c1cccc2ccccc12	409311224	YRXGIJWYWGGTBH-RGEXLXHISA-N	365.388	5.862	50	40	FKGB	
CC(C)(C)c1ccc(C(c2ccc(C(C)(C)C)cc2)C(Cl)Cl)cc1	1560302	MQWNGTSGBKBILE-UHFFFAOYSA-N	363.372	7.217	50	40	FKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccc(Cl)cc1Cl	2278016	DSDHSSXEUFPRDM-OAHLLOKOSA-N	373.264	5.426	50	40	FKGB	
CCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	19866735	KQGGUKDJYBJCFV-KRWDZBQOSA-N	372.921	5.158	50	40	FKGB	
CCCCCCCCCCCC(=O)NNC(=O)c1ccc(Cl)cc1	98045042	DKCLMLFBQCPWCE-UHFFFAOYSA-N	352.906	5.022	50	40	FKGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)c1	408599802	ZZTRDYHAHXBRJW-ATVHPVEESA-N	363.800	5.451	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	409020035	LOJSOSQNSAWPMT-OJNRTJSBSA-N	372.827	5.202	50	40	FKGB	
CC[C@H](C)Oc1ccccc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409023030	BEONLJDQLYSBAQ-QGNWGPJTSA-N	370.836	5.027	50	40	FKGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](Cl)[C@H](Cl)c1ccc(Cl)cc1	1685426	CNWCXEKZZRZGDF-KGLIPLIRSA-N	363.071	5.519	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c(OC)c1	4175039	QGUUDVPXWBEECD-DHDCSXOGSA-N	366.417	5.031	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1Cl)c1cccc2ccccc12	5381883	LKSOXYBSETZERV-WSDLNYQXSA-N	357.240	5.301	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1	33318282	ZZUJGIVROZSIFN-QNGOZBTKSA-N	369.468	5.202	50	40	FKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1	4679720	AFSMRUNLKNMEEQ-HYARGMPZSA-N	366.873	5.255	50	40	FKGB	
O=C(N[C@@H](c1ccc(Cl)cc1)C(Cl)Cl)c1ccccc1Cl	5445317	HRDAWQISCPKXEC-ZDUSSCGKSA-N	363.071	5.268	50	40	FKGB	
CCCOc1c(/C=C(\C#N)c2nc3ccccc3s2)cccc1OCC	6886711	UXTMKHPGUQYCHF-DTQAZKPQSA-N	364.470	5.548	50	40	FKGB	
Cc1ccc(S[C@@H](NC(=O)c2ccc(Cl)cc2)C(Cl)Cl)cc1	98049005	ORRAEIPFNOZQLE-MRXNPFEDSA-N	374.720	5.300	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc(F)c1	409392055	KOWOKMCSAABSGR-UNOMPAQXSA-N	363.819	6.122	50	40	FKGB	
N#C/C(=C/C1CCC(OCC2CCCCC2)CC1)C1CCC([N+](=O)[O-])CC1	1735503	MUYLZPDPEDRRGZ-ZHZULCJRSA-N	374.525	5.428	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)o1	408746660	VBHZIAMOZFDAMQ-PTNGSMBKSA-N	362.816	5.454	50	40	FKGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1[C@H](Cl)c1ccccc1	2148777	VFLLEPGFEZXGRY-MRXNPFEDSA-N	352.648	6.285	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OC	6323392	CUJHFAUIMUQTFO-HMMYKYKNSA-N	357.453	6.091	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	206240168	JQRKXLZGNDPJHJ-XFFZJAGNSA-N	351.620	5.192	50	40	FKGB	
COc1ccc(Br)cc1/C=C(/C#N)c1ccc2ccccc2c1	408549226	RDHQCSONJLVQCI-WQRHYEAKSA-N	364.242	5.675	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NC1CCCC1	409190140	LGPOUEDSTQRFAJ-QBFSEMIESA-N	372.877	5.050	50	40	FKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1cccc(Cl)c1	409245279	QETFGKJKKNIIIM-PDGQHHTCSA-N	352.865	5.403	50	40	FKGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2	4156093	DEWPJKJYWRFKKP-JJFYIABZSA-N	365.304	5.316	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(C)(C)C	4995277	WCAWPOHCDIDGFC-HYARGMPZSA-N	374.937	5.784	50	40	FKGB	
COc1cccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c1OC(C)C	5155510	QUTRLZXYMVLASL-SFQUDFHCSA-N	374.440	5.062	50	40	FKGB	
CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)CCCCl)cc3)nc2c1	8198145	ZIXXKBWGILYTTE-AWEZNQCLSA-N	370.880	5.966	50	40	FKGB	
CC(C)(C)[Si](C)(C)Oc1cc(Cl)cc(C(=O)C(F)(F)F)c1N	196031151	ITGGWWYCODNZQX-UHFFFAOYSA-N	353.844	5.051	50	40	FKGB	in-vitro
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)cc1	408569476	OBKHCLGBDTWKJX-YBEGLDIGSA-N	371.371	5.229	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OC	408581099	UKWCYKLIEFELDK-VZUCSPMQSA-N	368.647	5.728	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)cc1	408772826	IEKJXHULGJHWGH-QNGOZBTKSA-N	369.468	5.202	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc2ccccc12	6496615	LEKAXHHPAVLGAA-VKAVYKQESA-N	366.376	6.072	50	40	FKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1	59116979	JZFBTQDDSOCWOL-LGMDPLHJSA-N	374.827	5.678	50	40	FKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCC	409391715	JOZHMDCHIMZIAX-UNOMPAQXSA-N	351.421	5.416	50	40	FKGB	
CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)CSC#N	2276258	QUCMFGCRSOCGTP-UHFFFAOYSA-N	364.542	5.002	50	40	FKGB	
COC(=O)c1cccc(-c2ccc(/C=C(\C#N)c3ccc(Cl)cc3)o2)c1	2854672	RRUJFTPDGYCCTH-SFQUDFHCSA-N	363.800	5.451	50	40	FKGB	
CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(C)c(C)c2)cs1	4174920	AJJGJLRJGBKFLY-UNOMPAQXSA-N	360.482	5.890	50	40	FKGB	
CC[C@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CCl)sc2c1	4205979	XEJILLIQRKHMEQ-AWEZNQCLSA-N	372.921	5.582	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1F)c1cccc([N+](=O)[O-])c1	6528702	AWWZBQYKNWNIQT-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C\C#N)CC[C@H]4[C@@H]3CC[C@@H]2C1	118927624	NBLNYSBYNKNUGO-KGCSPCDXSA-N	355.522	5.411	50	40	FKGB	
O=C(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@@H]2Br	1723756	AXQJMPNJCNKVCK-ZDUSSCGKSA-N	358.018	5.156	50	40	FKGB	
Br[C@@H]1c2ccccc2-c2ccc(/N=C\C=C/c3ccccc3)cc21	22346210	OATIBKVAMJLUTM-OYQPDQNDSA-N	374.281	6.567	50	40	FKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1ccc2ccccc2c1	409002426	UOJKINDWXJPIFR-HZHRSRAPSA-N	372.449	5.348	50	40	FKGB	
CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	25607994	ZEZJUEGISKMJED-WJDWOHSUSA-N	366.873	5.926	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)c1nc2ccccc2s1	4905309	OBKIVAMUAWAUCX-DTQAZKPQSA-N	356.450	5.912	50	40	FKGB	
COc1ccccc1/C=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	6306933	LIHLVCIMUIUDKU-MOSHPQCFSA-N	374.509	6.081	50	40	FKGB	
N#C/C(=C\c1ccc(Br)cc1)c1ccc(Cl)cc1Cl	408579386	GQJXPIRQMWJRNR-YRNVUSSQSA-N	353.046	5.820	50	40	FKGB	
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@H](Cl)c1ccccc1	4599414	RWYYCWBQAJQOIK-LJQANCHMSA-N	355.865	5.204	50	40	FKGB	
Cc1[nH]c2c(ccc3ccccc32)c1[C@@H]1[C@@H](CCNC(=O)CCl)C1(C)C	5478379	CDPLABCXMPPASM-XLIONFOSSA-N	368.908	5.114	50	40	FKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccccc2Cl)o1	13546826	NLFJBBZYXZKGCN-KAMYIIQDSA-N	364.788	5.881	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(F)cc1	1453272	ROVBNNGEHHGKHE-UKTHLTGXSA-N	358.199	6.457	50	40	FKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1	4047915	SMWKUBRWZWGUJP-QNGOZBTKSA-N	369.468	5.232	50	40	FKGB	
C[C@@H](/C=N/NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccccc1	19642774	IUWJPZXPBFNAMA-KOUDTOEKSA-N	352.434	5.074	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	34736047	PMEOVEGUNAVTHG-RVDMUPIBSA-N	351.837	5.459	50	40	FKGB	
O=C(Cl)c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1	218721623	VYNIQVBZTLLXRF-UHFFFAOYSA-N	350.028	5.605	50	40	FKGB	
FC(F)(F)c1cnc(-c2cc([C@H](Cl)c3ccccc3)on2)c(Cl)c1	1388046	GXBXXNJQWONIMW-CQSZACIVSA-N	373.161	5.737	50	40	FKGB	
COc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@@H](Cl)c1ccccc1	4599415	RWYYCWBQAJQOIK-IBGZPJMESA-N	355.865	5.204	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1	408599983	QGAKOIGQXXXTRI-PCLIKHOPSA-N	373.500	5.156	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1cccc(C(F)(F)F)c1	3309621	RCGUYCZJYNYVHY-SDNWHVSQSA-N	373.761	6.683	50	40	FKGB	
CCOc1ccc(/C(C#N)=C\c2ccc(Br)cc2)cc1OCC	4689650	RHBRVFIPNSNEFV-WJDWOHSUSA-N	372.262	5.311	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(F)c1	33793105	RDFXOYVFTGUVCY-ZDLGFXPLSA-N	361.376	5.206	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)c1ccc2ccccc2c1	408548096	DIHAHLXHFCETGB-KGENOOAVSA-N	365.388	5.862	50	40	FKGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21	408598489	BKUIHBFGKNVICO-PCLIKHOPSA-N	367.452	5.053	50	40	FKGB	
COc1cc(/C=C(\C#N)Sc2ccc(C)c(C)c2)ccc1OC(F)F	3308437	DSYLQYSSNDSRRB-CXUHLZMHSA-N	361.413	5.570	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F	6473495	UQCJUXCZGOVEIK-FMIVXFBMSA-N	358.199	6.457	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)c1	408570010	RLYREUFDYSIOMM-WJDWOHSUSA-N	356.404	5.174	50	40	FKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccs1	409091059	SQESVXCQBRAFCD-NDENLUEZSA-N	372.902	5.317	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)cc1C	33737205	XJHKLJGFPALOGC-MTJSOVHGSA-N	371.440	5.683	50	40	FKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)c2ccccc2F)c1C	33763143	SMLMVYPKXZBIEH-PDGQHHTCSA-N	364.851	6.259	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)c1	51103551	HANXFJVHMHGQII-UYRXBGFRSA-N	352.441	5.343	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)cc1	408743162	DZXRLIOVJHIWQL-UYRXBGFRSA-N	370.408	5.003	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C/c3cc(Cl)cc(Cl)c3O)[nH]c2cc1C	6484890	CQNIJEUFTGLLCJ-LFYBBSHMSA-N	358.228	5.256	50	40	FKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc(F)cc2)cs1	13658252	GBOZIOOZLMTEGW-XFXZXTDPSA-N	373.815	5.718	50	40	FKGB	
Cc1ccc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1C	408566987	JNOKYAYKFPEOST-WGOQTCKBSA-N	366.464	5.303	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1ccccc1C	408829755	LXRYPKRLFGTCFS-PTGBLXJZSA-N	368.546	5.088	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1Cl	7001127	LKHFXIDPMMCMOQ-KAMYIIQDSA-N	350.761	5.572	50	40	FKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1	408828758	JEOQDCXLACRAOT-LSLKUGRBSA-N	366.958	5.529	50	40	FKGB	
CCCCCC[C@@H](CCl)OCCOCCN(CCCC)CCCC	5418343	JWXHWKFPDBBDFK-FQEVSTJZSA-N	364.014	5.500	50	40	FKGB	
N#C/C(=C\c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1cccc2ccccc12	6496559	HAFMZIVOHIJZKF-RIYZIHGNSA-N	369.207	6.119	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1F	6615634	HAJWPMLKNCKZTO-AQTBWJFISA-N	370.402	6.032	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1ccc([N+](=O)[O-])cc1	13944033	WIXPZCILQWMRNF-SDNWHVSQSA-N	350.761	5.572	50	40	FKGB	
C[C@H](Cl)C1(OC(=O)OC2([C@@H](C)Cl)CCCCC2)CCCCC1	78130919	YXYJUCUPMHHHEK-OKILXGFUSA-N	351.314	5.800	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc2[C@H](C)CC1(C)C	208307324	AQLSYHPVTNNWHW-UWCCDQBKSA-N	370.500	5.739	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc2ncccc2c1	409393917	TUELWKBWMYTEJT-MTJSOVHGSA-N	367.427	5.846	50	40	FKGB	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	5690044	QXABCIHPNRUENJ-XFFZJAGNSA-N	350.201	5.112	50	40	FKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccccc2F)c1C	6613997	COCMHJUPHCXBQM-WQRHYEAKSA-N	364.851	6.259	50	40	FKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	33347383	NDKNYLMAYXTCLU-JJFYIABZSA-N	373.239	5.326	50	40	FKGB	
ClC1=C[C@H]2[C@H]3[C@@H]4[C@H](C4(Cl)Cl)C4(CC4)[C@H]3[C@H]([C@H]1Cl)C21CC1	100675384	UCMPKRWKCHKHFK-XHDDCBMSSA-N	350.116	5.202	50	40	FKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(OC)cc1	408583872	XZYQTYQRHIHARJ-LFIBNONCSA-N	372.262	5.311	50	40	FKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	408797278	CEEJESKUHWYBDE-FOWTUZBSSA-N	352.865	5.492	50	40	FKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2ccccc2)cs1	4995989	JMMZEZDGNJARNZ-RAXLEYEMSA-N	355.825	5.579	50	40	FKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@@H](CC)CCl	5218062	NFOAVOICHJFWCO-RPYQTVCQSA-N	353.654	5.265	50	40	FKGB	
Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc2ccccc2c1	33706184	RHOOZHOSNYPYDU-JLPGSUDCSA-N	352.481	6.203	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1	209403507	MZHUWZCYVRVUEZ-HYARGMPZSA-N	369.420	5.336	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(Cl)c1	408599380	TYYHUXXIVMIWHH-SDNWHVSQSA-N	350.761	5.572	50	40	FKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2)c1	408869112	QSZYGGHOJVEAJV-XQNSMLJCSA-N	366.464	5.440	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc([N+](=O)[O-])cc1	1977565	PCLRBGPEAIRKNG-ZHZULCJRSA-N	356.381	5.238	50	40	FKGB	
CCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1	5385825	GZDSYMOZJVWKGB-QGOAFFKASA-N	374.488	5.180	50	40	FKGB	
FC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1CBr	95626908	DEZDVAAAZZONAM-UHFFFAOYSA-N	362.145	5.013	50	40	FKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1C(C)C	408846953	LSGISXQWLJDRPI-XDHOZWIPSA-N	362.473	5.371	50	40	FKGB	
CC/C(=N\NC(=O)CNc1ccc(C)cc1)c1ccc(-c2ccccc2)cc1	14923729	BNIOLMQPHUWVHJ-WNAAXNPUSA-N	371.484	5.004	50	40	FKGB	
CCCCCCCCCC[C@H](Br)C(=O)c1cc(C)ccc1O	102999178	ZBGKIMLCEVBYGH-KRWDZBQOSA-N	369.343	6.178	50	40	FKGB	
C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@H](OC(=O)CCl)CC[C@]3(C)[C@H]1CC2	118925361	JILNZFBOTCLXDL-KPKYYQPRSA-N	350.930	5.490	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C	223531324	NUUBEDNLLJCFQJ-YLRSXTQRSA-N	364.920	6.516	50	40	FKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)c1ccccc1	7000285	FMPKHCQLXFKPOU-LFIBNONCSA-N	370.246	5.028	50	40	FKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3)cc21	208456750	UBPXPKOZWOYHMR-UNOMPAQXSA-N	371.484	5.172	50	40	FKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)cc1	5808403	YUMKWHYAUPVYQO-HKWRFOASSA-N	361.489	5.202	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(F)c3)c2C)c1	59137230	IUYUULZVCHIFGY-UNOMPAQXSA-N	373.431	5.087	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408779500	FQSSOUKIBZOXEA-CJLVFECKSA-N	354.497	6.456	50	40	FKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc(C)c1	409391875	KCWZSFKBGYDPEP-MTJSOVHGSA-N	373.427	5.786	50	40	FKGB	
CCc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	4175062	UZPOFLOUYOZBBK-HMAPJEAMSA-N	372.537	6.635	50	40	FKGB	
C/C(=N\NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C(C)(C)C)cc1	4507522	GCVUXZXDAXCRCQ-BXDFRRGMSA-N	368.546	5.146	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	107666919	UMGOCCAKMSNFGT-FOWTUZBSSA-N	354.837	5.065	50	40	FKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2cccs2)nc1-c1ccccc1	4981901	OSQCYQURTWBWKU-SDNWHVSQSA-N	365.483	5.284	50	40	FKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	33499763	GQVRRDXOLZPJHJ-SILNSSARSA-N	362.473	5.500	50	40	FKGB	
CCCCCCCC[C@@H](I)CCCc1ccccc1	100298461	XCHZLNUUCYPION-GOSISDBHSA-N	372.334	6.564	50	40	FKGB	
C=C1[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO[Si](C)(C)C(C)(C)C	204135619	ITBIDWSGCHAPLY-GVDBMIGSSA-N	372.698	5.336	50	40	FKGB	
C=CCc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OCC)c1O	408856360	HQNRNUMNFOVRBX-WQRHYEAKSA-N	373.456	5.077	50	40	FKGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cc2c(s1)CCCC2	7166165	BJGRCJVXRSCWBT-UHFFFAOYSA-N	352.503	5.071	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(F)c3)n2)cc1	13659534	YBPHCNUHADAHIU-RVDMUPIBSA-N	365.433	5.243	50	40	FKGB	
O=C(N/N=C1\CCCC[C@H]1C1CCCCC1)c1cc2ccccc2cc1O	5788827	UAHHGJUIUYPJOS-QIRGYHFYSA-N	364.489	5.402	50	40	FKGB	
CN(C)c1ccc(/C=C/C2=CC(=C(C#N)C#N)C=C(c3ccccc3)O2)s1	27515353	DNPARLVVFUFZHK-CMDGGOBGSA-N	371.465	5.126	50	40	FKGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408789472	JMHKKEPIIQLWJK-QGOAFFKASA-N	374.465	5.181	50	40	FKGB	
CCCCCCSCCOCCO[C@H](C)[C@H](Cl)CCCCC	5418287	DZLFLEUUQTVQSN-QZTJIDSGSA-N	353.012	5.909	50	40	FKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	6853777	DIVQFJZEYDQGEC-CAPFRKAQSA-N	370.452	5.564	50	40	FKGB	
O=C(CCCCCBr)c1ccc(Br)c(Cl)c1	309349226	ZZWWQHNJSCFEBB-UHFFFAOYSA-N	368.496	5.241	50	40	FKGB	
CCOc1ccc(C[C@H](c2ccccc2)N(CCCl)CCCl)cc1	1596455	NXQKEEGLPJLXKH-HXUWFJFHSA-N	366.332	5.149	50	40	FKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1OC	33789365	AFJUIUIXKRWLRW-GXDHUFHOSA-N	368.483	5.360	50	40	FKGB	
CC[C@H](C)n1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21	409230591	ZVFZMPVYECRTMT-FNSOMLPHSA-N	371.484	5.397	50	40	FKGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)C1	672326	UDYAOMGDXXINNT-MUTZGBHFSA-N	358.485	5.223	50	40	FKGB	
Cc1ccc(C(=O)[C@@H](Cl)[C@H](NC2CCCCC2)c2ccccc2)cc1	1690383	LGGVEHNTZPZMCA-LEWJYISDSA-N	355.909	5.449	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)c1ccc(C(=O)O)cc1	408541801	FWXABICHAKBTPY-MOSHPQCFSA-N	373.383	5.167	50	40	FKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc2ccccc2c1	408880031	GRKNCPYJHZXQAZ-XIEYBQDHSA-N	374.484	5.563	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1	409335883	PYXBRKWCOKEXTJ-QNGOZBTKSA-N	363.416	6.367	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)Cn1cnc2ccccc21	408691747	ORGMLOYBTDTWBH-BKUYFWCQSA-N	365.436	5.222	50	40	FKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1C1CCCCC1	408819703	RHQDWZSOICQSSW-UCQKPKSFSA-N	363.461	5.120	50	40	FKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccn1	6402898	UEQRQANUTHPJME-QOCHGBHMSA-N	373.459	6.616	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)c(C)c1	408782288	GVTSLTOFSNLVEC-MOSHPQCFSA-N	361.489	5.383	50	40	FKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)c(OC(C)C)c1	409363353	LIPHQRKGJUNJNC-NVMNQCDNSA-N	365.429	5.054	50	40	FKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccc(C#N)cc2)o1	409367488	BLXHHTQGUIAINO-YVLHZVERSA-N	355.353	5.099	50	40	FKGB	
CCCCCCCCCC(=O)N/N=C(\c1ccccc1)c1ccncc1	2096985	NYWSGJYIIBNSHI-YYDJUVGSSA-N	351.494	5.091	50	40	FKGB	
Cc1c(Cl)cccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	4149826	ZSDWFXFSBJNDDP-SDNWHVSQSA-N	359.816	5.849	50	40	FKGB	aggregator
C/C(=N\NC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1ccncc1	104258377	PGIGDXVNEJOBDT-XJPJTDEBSA-N	358.405	5.043	50	40	FKGB	
C#CCOc1ccc(Br)cc1/C=C(/C#N)c1cccc(Cl)c1	408599350	SWBQYIZRBUJULE-DHDCSXOGSA-N	372.649	5.179	50	40	FKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccccc3)cc2)c1	1098735	JVCXCMUEDGTEID-RCCKNPSSSA-N	368.436	5.077	50	40	FKGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc2ccccc2c1	4723476	DDKHIXRRFAYONE-XMHGGMMESA-N	364.404	5.244	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(Cl)c1	4827423	QJWSLETXCVXXKX-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1	108245711	ARTIPJFCQBVTCE-CLCOLTQESA-N	366.505	5.119	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c1	408847127	LQTIZSOMERDSAC-VCHYOVAHSA-N	362.473	5.493	50	40	FKGB	
COc1ccc(/C(Cl)=C(\C=O)c2ccc(Cl)c(Cl)c2)cc1OC	1617207	LHHYMABXISBAHT-ATVHPVEESA-N	371.647	5.317	50	40	FKGB	
N#CC1=C(NC(=S)Nc2ccccc2)c2ccccc2CC12CCCC2	2197120	FZXISVDADQNJCC-UHFFFAOYSA-N	359.498	5.024	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@H](C)Sc1ccccc1	408871171	WHTJBVSUJCGOFS-JMMZKRSASA-N	354.519	5.027	50	40	FKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1	2669658	ZGZRJQVQUZUQRJ-CAPFRKAQSA-N	365.473	6.066	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3F)n2)c1	13659024	RLCPEOAWKQMYTI-RAXLEYEMSA-N	369.396	5.073	50	40	FKGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(C2CCCCC2)cc1	20195512	GKPCBZJRZUIWGY-NCELDCMTSA-N	362.517	5.434	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1	38795095	IKVYHLUVVJZAPM-ZVHZXABRSA-N	374.827	5.517	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1	140384743	HGJFADNOEIYLBN-ZROIWOOFSA-N	374.654	6.971	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)c(C)c1	209381322	GLQOYTLIRWMZKL-ATVHPVEESA-N	360.388	5.248	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c2ccccc12	408775848	VLLVRVCEJQJKLT-CYVLTUHYSA-N	370.452	5.347	50	40	FKGB	
O=C(NN=C1CCCCCCC1)c1ccc(CSc2ccccc2)cc1	408855274	BJQNGWLAKFTKRH-UHFFFAOYSA-N	366.530	5.809	50	40	FKGB	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)N/N=C/c2cccc3ccccc23)cc1	5632596	SMDJHHZAFGWUAP-IXMPHMFNSA-N	370.496	5.391	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	13615825	YUHOWZXXWYJBEO-WJDWOHSUSA-N	366.873	5.926	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3c4ccccc4cc4ccccc34)[nH]c2c1	51075568	SCBWBFDRHQVEKX-RGEXLXHISA-N	359.432	6.242	50	40	FKGB	
[C-]#[N+][C@@H](c1ccccc1SC(C)(C)C)S(=O)(=O)c1ccc(C)cc1	95686559	VQVZNHJPGJZCGI-GOSISDBHSA-N	359.516	5.277	50	40	FKGB	
O=C(CCCCCBr)c1ccc(C(F)(F)F)c(Cl)c1	575360866	QJPQCGPGMHBYPY-UHFFFAOYSA-N	357.597	5.497	50	40	FKGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1	1685425	CNWCXEKZZRZGDF-KBPBESRZSA-N	363.071	5.519	50	40	FKGB	
CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CCl	2299026	WMCAEPDZKYLIKK-HXUWFJFHSA-N	362.300	5.400	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc12	2669483	BZAKJPLECXEYCS-NBVRZTHBSA-N	355.824	6.817	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Cl)n2)cc1	4567424	VLZMMGIXBBNJMM-WJDWOHSUSA-N	366.873	5.926	50	40	FKGB	
O=C1[C@H](c2c[nH]c3ccccc23)N(c2c(Cl)cccc2Cl)[C@@H]1Cl	5594164	QJCJCUBGQAJDCL-YOEHRIQHSA-N	365.647	5.170	50	40	FKGB	
N#C/C(=C1\SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1	11698079	YTAOBBFIOAEMLL-BSHRGCEOSA-N	354.287	5.061	50	40	FKGB	in-vitro
S=C=Nc1ccc(Cc2ccc(N=C=S)cc2Cl)c(Cl)c1	100535822	BBTPDEXFDOLKKA-UHFFFAOYSA-N	351.283	6.053	50	40	FKGB	in-vitro
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccccc1C	218724117	PHXYBTOHMRNPFV-BQYQJAHWSA-N	351.229	5.015	50	40	FKGB	
N#C/C(=C\c1cc(Br)ccc1O)c1ccc(Cl)cc1Cl	408579896	LFBXAGKXEZGEAE-BJMVGYQFSA-N	369.045	5.526	50	40	FKGB	
C#CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(Cl)cc1	409342525	GTCBHCAXBSJWRI-GDNBJRDFSA-N	372.649	5.179	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl	3321782	LEDJRNOYKIJCRR-YRNVUSSQSA-N	351.620	5.192	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	6682096	MDBDHRVULBQURO-ZHZULCJRSA-N	372.855	5.861	50	40	FKGB	
CCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	19866732	KQGGUKDJYBJCFV-QGZVFWFLSA-N	372.921	5.158	50	40	FKGB	
N#CC(C#N)=C1C=C2C=C(N3CCC(Cc4ccccc4)CC3)CC[C@H]2CC1	49537639	IVEIQOGVKJXTIR-OAQYLSRUSA-N	369.512	5.299	50	40	FKGB	
Cl[C@]12OO[C@@](c3ccccc3)(O1)[C@@H](c1ccccc1)c1ccccc12	104147649	IALBJXFCPBMPTH-HBMCJLEFSA-N	350.801	5.013	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(C4CCCC4)c3C)[nH]c2cc1C	408789041	IOZXTHCQJGJWIK-UNOMPAQXSA-N	358.489	5.777	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(F)c1	409392139	LKKNSPSUAKXBNO-LCYFTJDESA-N	358.199	6.457	50	40	FKGB	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2csc(-c3ccccn3)n2)cc1	98008654	AAEJEBKVDJFQCH-FOWTUZBSSA-N	373.481	5.292	50	40	FKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21	208196183	IBQNCGRRHCNJCO-ZCQLHAAUSA-N	356.473	5.349	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)cc1C	408541855	IARHGSGHCDWDJX-XKZIYDEJSA-N	370.452	5.473	50	40	FKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3sccc3C)n2)cc1	4011269	WDXUNWGXWNGMAR-LDADJPATSA-N	364.539	6.587	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	5678057	VIMNSPMABMXUBZ-FOWTUZBSSA-N	352.865	5.492	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	209487971	JRCXVDITAJPENK-WOJGMQOQSA-N	351.833	5.123	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(C#N)c1	408567017	KDEMCWVDWMQWOS-BOPFTXTBSA-N	364.326	5.901	50	40	FKGB	
COc1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1OC	5918233	PMYUCCDXDRHLBY-UHFFFAOYSA-N	360.498	5.094	50	40	FKGB	
CC(C)c1ccc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	33672917	QZKNNAXWHVAALV-FGCPFIITSA-N	362.517	5.361	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1C(C)C	408735085	NRQSDEWNVKTVRY-CXUHLZMHSA-N	368.864	5.326	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C(C)C	408799209	YHCVHSFPTAUQCW-YBFXNURJSA-N	362.473	5.290	50	40	FKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc(F)cc3)c3ccccc32)c1	409002960	XMYGMLKVPXYKKW-STZFKDTASA-N	366.439	6.201	50	40	FKGB	
CC[C@@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@H](CC)CCl	5218065	NFOAVOICHJFWCO-IJLUTSLNSA-N	353.654	5.265	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1F	107676395	LDXURWGXEHVUQD-XFXZXTDPSA-N	358.199	6.457	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1Cl	6428605	YINPMFRIIYMFIW-DHZHZOJOSA-N	351.620	5.192	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccccc1	59473487	HQIWJVSLFVFMRQ-HKOYGPOVSA-N	374.509	5.274	50	40	FKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc(F)cc2)c1C	137580783	CRHYFQQNXOEFQW-HMAPJEAMSA-N	358.460	6.168	50	40	FKGB	
ClC1=C[C@@H]2[C@H]3[C@@H]([C@H]([C@@H]1Cl)C21CC1)C1(CC1)[C@H]1[C@@H]3C1(Cl)Cl	217358697	UCMPKRWKCHKHFK-WJHWUCFHSA-N	350.116	5.202	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	408579208	DSDLWVPRDKHFFX-WOJGMQOQSA-N	355.865	5.900	50	40	FKGB	
N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)Nc1cccc(Cl)c1	408765516	LPRYKTHWEWFKFB-GZTJUZNOSA-N	358.828	5.137	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	4631309	CWLUCIGYHZQTCW-XMHGGMMESA-N	351.409	5.206	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc2ncccc2c1	5986611	KNEBLLIQFUKONQ-MOSHPQCFSA-N	367.427	5.846	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1OCC	17286360	MRCVNTRERFYCBG-MHWRWJLKSA-N	354.475	5.272	50	40	FKGB	
C[C@H](Cl)c1ncnc(NCc2ccc(Cl)cc2Cl)c1Cl	95933421	ISITXSWVNMNEGB-ZETCQYMHSA-N	351.064	5.349	50	40	FKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(OC)cc1	408584019	ZLUOXSSXWOXSRL-LFIBNONCSA-N	370.246	5.087	50	40	FKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C#N)c1	96836114	CHEBAUYPWAQMHK-HYARGMPZSA-N	359.432	5.625	50	40	FKGB	
CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NCCCl	256930247	SCJNCDSAIRBRIA-BHVWNTRMSA-N	365.989	6.487	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408792508	KISXNMQSAZMOKL-NTEUORMPSA-N	373.239	5.104	50	40	FKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	408803955	BFVIIWARRVPUAB-QPNANDPSSA-N	371.484	5.069	50	40	FKGB	
O=P1(C(c2ccccc2)c2ccccc2)O[C@@H]2CC(Cl)C[C@H](C2)O1	1707927	FDFMNOCBHFDPCN-FJJGWFQOSA-N	362.793	5.544	50	40	FKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	2785400	JFYDWJLXFREAMD-RCCKNPSSSA-N	368.436	5.120	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(C)cc3)n2)cc1OC	4174894	XTZCMXOVXMVNDR-YVLHZVERSA-N	362.454	5.200	50	40	FKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(C)C	6306890	TXUFMPFXQNAWPA-DEDYPNTBSA-N	357.453	5.947	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4ccccc4)cc3)nc2c1	23402712	HBMBGLIFHPYJBS-ZHZULCJRSA-N	365.436	5.515	50	40	FKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc2ccccc12	59475520	LRKNQOUERUWDLP-KOEQRZSOSA-N	366.420	5.396	50	40	FKGB	
Cl[C@@]1(c2ccccc2)OP(Cl)(Cl)(Cl)Oc2ccccc21	104387637	SQSPVGJYJMUTSJ-ZDUSSCGKSA-N	369.999	6.380	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1OCC	408598925	LFKAOPGQYIKMHU-SXGWCWSVSA-N	372.251	5.468	50	40	FKGB	
N#CC(=C/c1ccc(Cl)s1)/C(O)=N/c1cccc(Cl)c1Cl	59336604	BNPADAIIQNDUOS-VURMDHGXSA-N	357.649	5.903	50	40	FKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3ccccc13)[C@@H]2Br	100848705	HSIUCQNHPABEPI-NSISKUIASA-N	372.306	5.368	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1	408882962	SBAYHHZEYBMMQS-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
CC(C)(C)C(=O)NC(C#N)=C(Sc1ccccc1)Sc1ccccc1	26841241	MDVJKQPXJZBFHN-UHFFFAOYSA-N	368.527	5.426	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(C)c1	96584976	XMWPEDKXFGOXLF-JXAWBTAJSA-N	356.425	5.093	50	40	FKGB	
ClCCCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1	225296266	ZEIRURRYIKDBHQ-UHFFFAOYSA-N	353.680	5.563	50	40	FKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408805759	HLPKOBODXOWULM-GXDHUFHOSA-N	373.239	5.104	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(O)ccc2ccccc12	408890020	MQHDKHIHNMEQCF-RVDMUPIBSA-N	362.816	5.053	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccccc3F)cc2)cc1	409238432	ZZGNIQIFTWXVOA-OEAKJJBVSA-N	364.445	5.049	50	40	FKGB	
O=C(CSSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	1724597	HWLHHXIRZITARP-UHFFFAOYSA-N	371.310	5.440	50	40	FKGB	
N#C/C(=C/c1cccs1)c1nc(-c2ccc(Br)cc2)cs1	4006673	FJYSXYFSKKFNNJ-WQLSENKSSA-N	373.300	5.698	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)c1cccc(C(F)(F)F)c1	409101515	YQTWUBLWLWWLFT-ZSOIEALJSA-N	351.755	5.822	50	40	FKGB	
Cc1ccc(NC(=O)Oc2ccc(Nc3ccccc3)cc2)cc1N=C=O	3012924	ADUHYPZYLZHQLQ-UHFFFAOYSA-N	359.385	5.317	50	40	FKGB	
C/C(CBr)=N/c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	16136697	NNVFLUPUBGJGPO-NCGSWYKDSA-N	361.199	5.498	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)ccc3C)n2)cc1	100341297	NOAZJAJNNSAFCA-SFQUDFHCSA-N	361.470	5.412	50	40	FKGB	
C=CCn1c(C)c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	408585928	KHCVKAOYAWPBFC-LFIBNONCSA-N	367.279	6.507	50	40	FKGB	
CCC/C(=N\NC(=O)c1csc2ccccc12)c1ccc(Cl)s1	4651623	UROJOVPPRWQXBU-CPNJWEJPSA-N	362.907	5.550	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C/c3c4ccccc4cc4ccccc34)[nH]c2c1	5322621	SCBWBFDRHQVEKX-XMHGGMMESA-N	359.432	6.242	50	40	FKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1	13842605	WABMSXYTNYFXKW-HZHRSRAPSA-N	371.912	5.039	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1	15009109	IMDPSDPABOGXDI-NBVRZTHBSA-N	367.477	6.087	50	40	FKGB	
Cc1ccc(OCC(=O)NN=C2CCCCCCCCCCC2)cc1C	32101706	WLKOZYLMKWICMY-UHFFFAOYSA-N	358.526	5.459	50	40	FKGB	
CCOc1cc(/C=C/C#N)c(Br)cc1OCc1ccc(C)cc1	6155335	IFZAOKQICMBXKB-SNAWJCMRSA-N	372.262	5.272	50	40	FKGB	
Cn1c(/C=C(\C#N)c2nc3ccccc3s2)ccc1-c1ccc(F)cc1	11690320	YIASILDFFNJONG-NTCAYCPXSA-N	359.429	5.505	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)cc1	35088223	PRVXVTOQQLTKQO-UYRXBGFRSA-N	352.441	5.343	50	40	FKGB	
CCc1nc(/C(C#N)=C/c2c[nH]nc2-c2cc3ccccc3o2)sc1C	63278847	NCQMHPUKFAMYES-RIYZIHGNSA-N	360.442	5.214	50	40	FKGB	
N#C/C(=C\c1ccc(O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	3995816	CMIDBNGMKUSQCA-NTUHNPAUSA-N	373.264	5.887	50	40	FKGB	
Cc1[nH]c2c(ccc3ccccc32)c1[C@@H]1[C@H](CCNC(=O)CCl)C1(C)C	5478377	CDPLABCXMPPASM-PXNSSMCTSA-N	368.908	5.114	50	40	FKGB	
N#C/C(=C\c1cccn1-c1ccc(O)cc1)c1cccc(Br)c1	9264769	MOMCOAVTGCRODD-NTCAYCPXSA-N	365.230	5.010	50	40	FKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccccc1	35329467	BQPGPIUQZVTYNG-JCMHNJIXSA-N	358.869	5.063	50	40	FKGB	
O=[N+]([O-])c1ccc(/N=N\c2ccc(N(CCCl)CCCl)cc2)cc1	104189215	QUUTZFNLPATCQR-VXPUYCOJSA-N	367.236	5.294	50	40	FKGB	
CC[C@H](C)n1cc(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc21	408549913	BLLQNTSSSCHDLT-CEZZIEKDSA-N	350.465	6.830	50	40	FKGB	
C/C=C/C=N/NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12	2109631	SHFDCOVDSVSQQC-BAQHSMLZSA-N	357.457	5.317	50	40	FKGB	
ClCCSc1ccc2nc3cc(SCCCl)ccc3nc2c1	4264711	OXQBDIPPGBCUQC-UHFFFAOYSA-N	369.342	5.445	50	40	FKGB	biogenic
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCCC(C)C	5071090	KQZUKDVBZWRUEW-SFQUDFHCSA-N	361.445	5.061	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Cl	7893803	OMACSKRHITXAAW-OEAKJJBVSA-N	366.848	5.046	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1	408584010	ZHIVFMGMOIKCPH-DEDYPNTBSA-N	359.400	5.477	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)c(C)c1	408752512	BDLMNQZMJMELOQ-LGMDPLHJSA-N	374.465	5.593	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSc1ccc(Cl)cc1	408833909	WTTBMXKYVWYLAZ-PXLXIMEGSA-N	374.937	5.292	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)c([N+](=O)[O-])c1	409368792	NCNBHLDGQOJYRS-BOPFTXTBSA-N	355.353	5.099	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(N(C)C)cc1	409394224	XJAWPKRBSNALFZ-MOSHPQCFSA-N	359.448	5.363	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)NC1CCCCC1	1082160	IZHATYUECLDGIY-XDJHFCHBSA-N	354.453	5.349	50	40	FKGB	
CC(C)(Cl)[C@H](Cl)CC/C(CBr)=C(/Cl)CCl	104310980	UIGXZKYHJGKJFU-UFGYOYAJSA-N	356.946	5.518	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(F)c4)c3C)nc2c1	107830616	SYDIIHPYPHAJID-WQRHYEAKSA-N	370.431	5.482	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408581038	SWVMOEKIIRIBHN-NTEUORMPSA-N	360.240	5.631	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(C(C)C)cc1	409390625	GGULKTCEPWRQQJ-XKZIYDEJSA-N	358.460	6.421	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@H](Cl)[C@@H](Cl)c1ccc(Cl)cc1	1685393	WLCPJJHSEPUWAK-NWDGAFQWSA-N	354.085	5.825	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC	33666504	AKMFOHGMYDXFFQ-LDADJPATSA-N	373.456	5.207	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1Cl	408583683	WLMGAZSCDGJDBG-OQLLNIDSSA-N	360.240	5.631	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1	408844196	BLVXIMUOUYBIDV-HYARGMPZSA-N	373.883	6.600	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)c1ccccc1	5899486	IJVCJRGISJGQNH-XSFVSMFZSA-N	373.839	5.709	50	40	FKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H](Cl)C=C[C@H]3[C@@]1(Cl)C2(Cl)Cl	100066730	FRCCEHPWNOQAEU-CQWLMVLJSA-N	373.321	5.242	50	40	FKGB	in-vitro
O=C1[C@H](Cl)N(c2c(Cl)cccc2Cl)[C@@H]1c1c[nH]c2ccccc12	1633493	QJCJCUBGQAJDCL-RHSMWYFYSA-N	365.647	5.170	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccccc1F	104046144	IIJVGXLJRBISAT-XKZIYDEJSA-N	353.268	5.169	50	40	FKGB	
CC(C)N1c2ccc(/C=N\NC(=O)c3cccs3)cc2[C@@H](C)CC1(C)C	223545952	HCDXGPXULCENAH-PXNCGERRSA-N	369.534	5.013	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc(F)c1	409393078	OXKLPTMIMGIQJE-LCYFTJDESA-N	368.751	5.711	50	40	FKGB	
N#C/C(=C\c1c(-c2ccc(Cl)cc2)nc2sccn12)c1ccccc1	4002966	IYUWPXJWSPADAQ-FOWTUZBSSA-N	361.857	5.780	50	40	FKGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1	6306931	RWYACNGGMQOKIJ-NDENLUEZSA-N	374.509	6.081	50	40	FKGB	
C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c2ccccc21	408820653	ZAVRPVRRAQHRMH-XMHGGMMESA-N	369.468	5.298	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCC	409070243	YJPHGAHOKNNWCE-SFQUDFHCSA-N	360.413	5.028	50	40	FKGB	
ClC(Cl)c1nnc(-c2ccccc2)c(-c2c[nH]c3ccccc23)n1	721184	SHUJUBURSFWLMQ-UHFFFAOYSA-N	355.228	5.163	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1O[C@@H](C)CC	6603718	GBJQZZAMYAEBCI-FBKCMUNRSA-N	373.855	6.119	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)o1)c1cccc(Br)c1	59137978	JESGPXZQFOZJRT-QINSGFPZSA-N	357.251	5.097	50	40	FKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)c1	108790707	SZAIENMNGUBNGY-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2cccc(Cl)c2)o1	408962547	YZWKVXNACSONGI-WJDWOHSUSA-N	363.800	5.671	50	40	FKGB	
Cc1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408969684	RXGQFFSRHYZQFP-UKWGHVSLSA-N	363.269	5.280	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCO2	409360006	CWKPHZWQDXKXPZ-JAIQZWGSSA-N	355.393	5.058	50	40	FKGB	
N#C/C(=C\c1cccc(OCCc2ccccc2)c1)c1nc2ccccc2[nH]1	11990330	SPHBHBPKOSDNMA-HMMYKYKNSA-N	365.436	5.249	50	40	FKGB	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@H]1CCCC[C@H]1CO	102152800	DYEKOCOQMUNRSV-GWCFXTLKSA-N	374.375	5.017	50	40	FKGB	
Cc1oc2ccccc2c1/C=N/N(C(=O)c1ccccc1)c1ccccc1	4314565	GNNFQGUWXMDOMK-LFVJCYFKSA-N	354.409	5.422	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)c1nc2ccccc2[nH]1	5068483	AOJJOPAGBFRGSW-XMHGGMMESA-N	351.409	5.206	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1Cl	14134324	RCXGFFQLEQBPRZ-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2s1	408526950	AEKREIHBYOBYRV-RVDMUPIBSA-N	368.889	6.193	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1	408763209	IDGGDAIRJIRVML-WQRHYEAKSA-N	350.824	5.951	50	40	FKGB	
COc1ccc(/N=c2\scc(CCl)n2[C@H](C)c2ccccc2)cc1	12504609	LXLXMZJXZVEKJT-DIGCTUSJSA-N	358.894	5.139	50	40	FKGB	
Cc1ccc(OCCOc2cccc(/C=C(\C#N)c3ccccc3)c2)cc1	26680974	URBRKCSIPWAUJJ-CJLVFECKSA-N	355.437	5.517	50	40	FKGB	
CC(C)(Cl)[C@@H](Cl)CC/C(CBr)=C(/Cl)CCl	104310984	UIGXZKYHJGKJFU-FUOZMLNRSA-N	356.946	5.518	50	40	FKGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3cccc4ccccc34)oc12	216855081	LTRNGDUCMIKFDA-UHFFFAOYSA-N	350.805	5.134	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(F)cc1	408549739	XYYHJPBBMNLVOJ-HAHDFKILSA-N	366.439	6.451	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)Nc1ccccc1	409214931	YPHBTIDOQWADJY-FSJBWODESA-N	373.334	5.121	50	40	FKGB	
CCN1C(=CC2=CC(=C(C#N)C#N)c3ccccc32)N(CC)c2ccccc21	685944296	BUYNUWMTVXEEBV-UHFFFAOYSA-N	364.452	5.092	50	40	FKGB	
N#C/C(=C/c1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc(F)cc1	6221684	XHMYCHITPDREKF-YHYXMXQVSA-N	369.610	5.332	50	40	FKGB	
CC(C)c1ccc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	33672915	QZKNNAXWHVAALV-UCIYYCOQSA-N	362.517	5.361	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3C)n2)cc1	100839934	HYVFZVGMOBYRED-UYRXBGFRSA-N	359.498	5.966	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C	408741594	JZRAXHGBHLITFK-QNGOZBTKSA-N	369.468	5.202	50	40	FKGB	
Cc1ccc(C)c(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1	44827299	BSQFGJFBRVMBMR-XDHOZWIPSA-N	359.498	6.020	50	40	FKGB	
C=CCN(CCCC)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	59222261	YBIVJWCFXYIFJT-UHFFFAOYSA-N	374.488	5.184	50	40	FKGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1	59473602	YGVOSOBCINQDHQ-OMBDHMDGSA-N	360.910	5.094	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)c(Cl)c1	408589254	ZNLRZPYILXGEIE-XNTDXEJSSA-N	354.236	6.219	50	40	FKGB	
Cc1ccc(-c2nc(/C(C#N)=C/c3ccc(Cl)cc3)sc2C)cc1	4996471	FPNWWHKTIVZSQQ-GZTJUZNOSA-N	350.874	6.145	50	40	FKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	34849189	RNKISSXSQBLMAF-CAPFRKAQSA-N	362.473	5.500	50	40	FKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1c2ccccc2cc2ccccc12	101183465	IXFRPVCPHKOLBX-GXYNORPQSA-N	356.469	5.269	50	40	FKGB	
CC(C)(C)[Si](C)(C)ON=Cc1cccc(O[Si](C)(C)C(C)(C)C)c1	263592644	AIOQXSULGQLXLW-UHFFFAOYSA-N	365.666	6.426	50	40	FKGB	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)N/N=C/c2cccc3ccccc23)cc1	2758278	SMDJHHZAFGWUAP-LMCBGLRMSA-N	370.496	5.391	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(F)cc1	408570523	WIVRAKBILCRYCS-YBEGLDIGSA-N	374.394	5.313	50	40	FKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	409048340	OAFWGIJBXGHNSM-KPKJPENVSA-N	358.228	5.333	50	40	FKGB	
Cl[C@H]1C[C@H](C(Cl)(Cl)Cl)CC[C@@H]1C(Cl)(Cl)Cl	1578686	JNTMWQZUXHDSDY-SRQIZXRXSA-N	353.331	5.751	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1Cl	3168900	XRSFIIJNTZBBER-ZVHZXABRSA-N	358.828	5.410	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(OC)c3)n2)cc1	6354159	WIZKSLCCDHSFCS-GHRIWEEISA-N	361.470	5.358	50	40	FKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)F	103528294	CVTAKOVDCUJNCN-GFCCVEGCSA-N	364.233	6.273	50	40	FKGB	
O=C(NN=C1CCCCCC1)c1ccc(CSCc2ccccc2)cc1	408830935	OWRWFHSYMITNBL-UHFFFAOYSA-N	366.530	5.560	50	40	FKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1)c1ccccc1	409230693	FNUAQDXUZFWPRX-VVZNPABPSA-N	374.465	5.215	50	40	FKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2cccc(F)c2)o1	409390343	FBICUUODOLISHN-UVTDQMKNSA-N	364.332	5.067	50	40	FKGB	
N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1cccc(F)c1	409391712	JONMHQJPZNJDBN-PTNGSMBKSA-N	367.221	5.443	50	40	FKGB	
C[C@H](Cl)CN(C[C@@H](C)Cl)c1ccc2c(c1)Cc1cc(F)ccc1-2	1678216	BYAPDXBRCDPDPJ-BETUJISGSA-N	352.280	5.458	50	40	FKGB	
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@H](Cl)c1ccccc1Cl	2153737	XMCNHLTYSRTTKO-CYBMUJFWSA-N	364.150	5.157	50	40	FKGB	
N#C/C(=C/c1cccs1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	3995815	IBUYLWBMNJDMHV-WDZFZDKYSA-N	363.294	6.243	50	40	FKGB	
CC(C)c1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(C(C)C)c1O	408570329	UDPHJXMXQZZJLP-CHHVJCJISA-N	363.436	5.719	50	40	FKGB	
CCCCCCOc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	5069625	DOFWDSWWGMCMPC-KNTRCKAVSA-N	364.493	5.028	50	40	FKGB	
CCOc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	5465340	FZBDDYFJGWUXOF-PCLIKHOPSA-N	368.436	5.156	50	40	FKGB	
N#C/C(=C/c1ccccc1Cl)C(=O)Nc1cc(Cl)ccc1Cl	5770227	GJFPESWQSHXIKD-XFFZJAGNSA-N	351.620	5.192	50	40	FKGB	
N#CCCn1cc(/C=C(\C#N)c2nc3ccccc3s2)c2ccccc21	8710532	BWNBIPJNSFIOPN-NTCAYCPXSA-N	354.438	5.229	50	40	FKGB	
Cc1ccc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)s1	12756418	OLDNJXUZHUIGKN-UXBLZVDNSA-N	350.390	5.749	50	40	FKGB	
C[C@]12CC[C@@H](c3nc4cc5ccccc5cc4nc31)[C@@]2(C)CBr	103674175	PUTRYMYPKQATCU-PNHOKKKMSA-N	367.290	5.333	50	40	FKGB	
BrCc1ccc2oc(-c3ccc(Br)cc3)nc2c1	226317914	KPAHAZLWKQEBLY-UHFFFAOYSA-N	367.040	5.152	50	40	FKGB	
Cc1cc(C=C(C#N)C#N)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408852609	LUZQNZSOXXEABL-UHFFFAOYSA-N	357.240	5.620	50	40	FKGB	
Cn1c(/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)nc2ccccc21	4159141	XFUJIQBEFQZOES-NTCAYCPXSA-N	359.816	5.551	50	40	FKGB	
N#C/C(=C\Nc1c2ccccc2nc2ccccc12)c1nc2ccccc2o1	5336977	BKMYIVKUAHOOKB-CCEZHUSRSA-N	362.392	5.506	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(Cl)cc1	937122	KRIANJBXLRJQDP-PTNGSMBKSA-N	350.761	5.572	50	40	FKGB	
Cc1cc(Cl)ccc1/N=N/c1ccc(N(CCCl)CCCl)cc1	4774349	PYUGSEHQIDOELK-QURGRASLSA-N	370.711	6.348	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1	4784437	DVAFNWCBCUSITH-QGOAFFKASA-N	354.434	6.134	50	40	FKGB	
O=C/C(=C\Nc1cccc(Cl)c1Cl)c1nc2cc(Cl)ccc2o1	5943756	SVZTWAQXRZOSPI-VQHVLOKHSA-N	367.619	5.440	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1	408800500	NBLFLXSLLLDZNW-OBGWFSINSA-N	356.425	5.174	50	40	FKGB	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2730367	SYARAUNZQVLPSD-YRNVUSSQSA-N	368.717	5.044	50	40	FKGB	
CCc1ccc(/C(C)=N/NC(=O)c2sc3ccccc3c2Cl)cc1	5341536	SQFREYBQMILMFN-CIAFOILYSA-N	356.878	5.271	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Cl	408581963	KCZXKEPWIKDTND-MHWRWJLKSA-N	357.837	5.210	50	40	FKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1)c1ccccc1	408803306	NMSKKHOIUHZGFO-CXDFQFJYSA-N	365.436	5.105	50	40	FKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	408927088	ZOABBSWTUIGYJS-XYOKQWHBSA-N	365.647	5.501	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1cccc(F)c1	409389622	CFXBUKBMIYEPNM-NDENLUEZSA-N	373.383	5.167	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	59133369	RZYTYWXGYANEKZ-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	104144168	RQTCPUIIKAFYLW-AWEZNQCLSA-N	365.285	5.626	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)cc1C	408778525	VTQMKVMCACQMGL-MOSHPQCFSA-N	361.489	5.383	50	40	FKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)Nc1ccccc1	409008320	VUPHKGQINTYIOQ-KQWNVCNZSA-N	361.445	5.174	50	40	FKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccccc2)nc1-c1ccccc1	6591592	LOFXDBGVABHDPD-GHRIWEEISA-N	359.454	5.223	50	40	FKGB	
CC(C)N1c2ccc(/C=N\NC(=O)c3cccs3)cc2[C@H](C)CC1(C)C	260565134	HCDXGPXULCENAH-VUZLNAKASA-N	369.534	5.013	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(C(F)(F)F)c2)cc1Cl	408983338	LMCAKXKVJLDMIL-QPEQYQDCSA-N	364.754	5.213	50	40	FKGB	
CC(=O)Nc1sc(/C(C#N)=C/[C@H]2CC=CCC2)nc1-c1ccc(C)cc1	913266	XBHVGRUNGZAOGF-IQFISFIMSA-N	363.486	5.340	50	40	FKGB	
N#C/C(=C/c1cccc(OCCc2ccccc2)c1)c1nc2ccccc2[nH]1	4423473	SPHBHBPKOSDNMA-HKWRFOASSA-N	365.436	5.249	50	40	FKGB	
CCc1cc2c(cc1[C@@]1(C)OC[C@@H](CCl)O1)C(C)(C)CCC2(C)C	5477213	IQPQJBYDIZUVFQ-VFNWGFHPSA-N	350.930	5.425	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)c(OCC)c1	408579343	FZOKRXAKVTWWHP-NTEUORMPSA-N	362.256	5.855	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	408583915	YRFIYPSRLXCLLD-XSFVSMFZSA-N	359.400	5.477	50	40	FKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408792746	CHTPJQYRHJAIAM-RCCKNPSSSA-N	368.436	5.120	50	40	FKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)cc2)c1C	408961070	QSMDIUPWWXRFAM-MFKUBSTISA-N	373.500	5.037	50	40	FKGB	
S/C(=N\c1ccc(N(CCCl)CCCl)cc1)Nc1ccccc1	5593350	NOTWIRGTPLEKGG-UHFFFAOYSA-N	368.333	5.000	50	40	FKGB	
C/C(=N/NC(=O)[C@@H](C)SCc1ccccc1)c1ccc(C(C)(C)C)cc1	23382544	GCVUXZXDAXCRCQ-CXJVOSNZSA-N	368.546	5.146	50	40	FKGB	
C[C@H]1CCc2nc(/C(C#N)=C\c3ccc(Br)cc3)sc2C1	33679282	HBBQAOPJMCSUJY-KWJWQAOWSA-N	359.292	5.095	50	40	FKGB	
CC(C)[C@H](Br)CC/C(CBr)=C(\Cl)CCl	73241703	UXRINMVIUVVTLH-NCXKZPMSSA-N	366.952	5.313	50	40	FKGB	
CCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1	102600312	FIFFPFKESWVXNO-IBGZPJMESA-N	352.503	5.832	50	40	FKGB	
N#C/C(=C/Nc1ccc(Br)cc1)c1nc2cc(Cl)ccc2o1	5338101	JZRPGYXDLWNJKU-KTKRTIGZSA-N	374.625	5.220	50	40	FKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Cl)cc1Cl	100195354	QNIQSINALPYRJK-ACAGNQJTSA-N	367.239	5.002	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1	4980085	DJEQLJDGAXEMGE-VXLYETTFSA-N	372.880	6.681	50	40	FKGB	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	13774139	OMQARHIPTYEBRP-ZSOIEALJSA-N	371.292	6.490	50	40	FKGB	
CC(=C\c1ccccc1)/C=C(\C#N)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	16890244	GIQJFJODWXKFHG-MIKCAUBTSA-N	373.437	5.729	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2c3ccccc3cc3ccccc23)c1	209987351	BHISPBUEQRQWIW-HKWRFOASSA-N	362.432	5.847	50	40	FKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(-c2ccccc2)cc1	1880012	QRQRIKYNRYWQOL-YDZHTSKRSA-N	369.251	5.424	50	40	FKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccc2ccccc12	20249089	NFGDLBNENFYZGP-HYARGMPZSA-N	368.889	5.126	50	40	FKGB	
COc1cc(C=C(C#N)C#N)cc(Cl)c1OCc1ccc(Cl)cc1	408820241	WCJPRXWPXKSCDG-UHFFFAOYSA-N	359.212	5.012	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1ccc(C)cc1	4502536	AGLQHNZQUDAWTG-PTGBLXJZSA-N	368.546	5.088	50	40	FKGB	
CCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N	6319402	VAFWUBMZRJSJIP-UHFFFAOYSA-N	366.515	5.348	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccccc34)n2)cc1	6421337	PGRVOEGKHQXIHR-XMHGGMMESA-N	367.477	6.248	50	40	FKGB	
N#C/C(=C\c1ccnc2ccccc12)c1nc(-c2ccc(F)cc2)cs1	11615976	DVCGLIITGPODCH-LFIBNONCSA-N	357.413	5.562	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccccc1Cl	409391898	KFAAYRLZSPTBQJ-WQRHYEAKSA-N	350.824	5.951	50	40	FKGB	
O=C1S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[C@H]1Cl	2555979	FUCTVSUHOZOIRK-YSYRGXBVSA-N	371.676	5.326	50	40	FKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	5659676	FDTHUFSHJNXHPK-HAVVHWLPSA-N	366.464	5.503	50	40	FKGB	
Cc1ccccc1N/C=C(\C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	100108565	BLKOPDRKPMDNAC-RVDMUPIBSA-N	362.414	5.003	50	40	FKGB	
CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@H](C)O	113226028	CODAYFPFZXWNLD-IBGZPJMESA-N	356.547	5.699	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1	408579329	FTOLDAISCMUBPO-FYJGNVAPSA-N	369.420	5.336	50	40	FKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1)c1ccccc1	35352009	KNYFOZDMDGOSDQ-MPGAHLTBSA-N	352.437	5.138	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(C#N)cc1	409370781	BDSVVXOTYJMBJL-SXGWCWSVSA-N	365.219	6.189	50	40	FKGB	
N#CCn1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c2ccccc21	33779006	PXIWZRNZBZYJMJ-LCYFTJDESA-N	352.224	5.536	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)cc1	408583661	WCMSYORYVVNXSV-PXLXIMEGSA-N	355.437	5.647	50	40	FKGB	
N#C/C(=C/c1cccc(Br)c1)c1cccc(C(F)(F)F)c1	3396069	OTGXKSDIQMBADY-QPEQYQDCSA-N	352.153	5.532	50	40	FKGB	
COc1cccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c1	8657399	RCVVIWVFERGACH-FOWTUZBSSA-N	361.470	5.412	50	40	FKGB	
CCCCCC/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1ccccc1	17076654	HEZPFKKPLZPMNI-NJNXFGOHSA-N	374.484	5.650	50	40	FKGB	
C=C(C)[C@H]1CC=C(C)/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)C1	95938762	UDYAOMGDXXINNT-FNLARSECSA-N	358.485	5.223	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408579645	IZMRXJOOHJPQID-LFIBNONCSA-N	372.262	5.311	50	40	FKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc(F)c2)c1C	409392763	NNGXANISAZKESC-GRSHGNNSSA-N	364.851	6.259	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(C#N)c1	408565774	AFDFDNVEXTZBSV-CXUHLZMHSA-N	365.219	6.189	50	40	FKGB	
Cc1ccc(S[C@H](C)C(=O)NN=C2CCCCCCCCCCC2)cc1	409121660	VKZFOOHWDJLZPK-LJQANCHMSA-N	374.594	6.253	50	40	FKGB	
Cl[C@@H](c1ccccc1)[C@H](Sc1nc2ccccc2o1)c1ccccc1	4720945	GZLRHMLRFHIFDE-VQTJNVASSA-N	365.885	6.641	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3c(C)cc(C)cc3C)n2)cc1	44827218	PRSZFIIFQGDOMU-DEDYPNTBSA-N	373.525	6.274	50	40	FKGB	
CCc1ccc(-c2csc(NC(=O)[C@@H](Cl)c3ccccc3)n2)cc1	3276854	GOJIUMVBUCJFTR-KRWDZBQOSA-N	356.878	5.291	50	40	FKGB	
COc1ccc(/C(Cl)=C(/C=O)c2ccc(Cl)c(Cl)c2)cc1OC	17189461	LHHYMABXISBAHT-SFQUDFHCSA-N	371.647	5.317	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc4ccccc34)n2)cc1	100840003	PGRVOEGKHQXIHR-RGEXLXHISA-N	367.477	6.248	50	40	FKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)c1	107669660	UBDPEYYONAMIBU-MTJSOVHGSA-N	371.440	5.683	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1cccc(F)c1	209402427	QABKGXKXTMCQLP-CIAFOILYSA-N	373.427	5.786	50	40	FKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2)nc1-c1ccc(C)cc1	4318512	QJMLCDMPABIWIX-LDADJPATSA-N	359.454	5.141	50	40	FKGB	
CC(=O)NC(C#N)=C(Sc1ccc(C)cc1)Sc1ccc(C)cc1	27027060	WTZSVEPVISNILM-UHFFFAOYSA-N	354.500	5.017	50	40	FKGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1cccc2ccccc12	35176893	KWDLMXKFJUNGBY-KOEQRZSOSA-N	358.485	5.220	50	40	FKGB	
Cl[C@]1(Br)c2ccccc2[C@H](Br)[C@H]2C=CC=C[C@@H]21	49625271	ZQASRTHFLYVJSG-VMXABPDPSA-N	374.503	5.281	50	40	FKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1	100839938	BQTHHHCXABKTNT-WJDWOHSUSA-N	365.889	6.057	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)Nc3ccccc3)cc2)cc1	409242454	VCUGOKPBUOJCBE-JCMHNJIXSA-N	361.470	5.302	50	40	FKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)cc1	409353110	GUQBXBAYRRJJFV-ATVHPVEESA-N	363.800	5.451	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1	409364506	NTYRUZVOFHCHHR-JLPGSUDCSA-N	361.444	6.483	50	40	FKGB	
Cc1csc(/C(C#N)=C/c2ccc(COc3cccc(Cl)c3C)o2)n1	6925359	BJTMKUUIBOJPQV-RIYZIHGNSA-N	370.861	5.650	50	40	FKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@H](c2ccccc2)C1	390829591	ZYLICKVHXAYMDM-RBUKOAKNSA-N	363.592	5.497	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)cc1	6026842	FCGWTJXJINVBEU-XSFVSMFZSA-N	373.525	6.472	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(Cl)c1	408599198	PVYGEFHCKQPNAC-LCYFTJDESA-N	374.654	6.971	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(O)cc1)c1cccc(C(F)(F)F)c1	409021739	VZJHLBLLLUBOCZ-QINSGFPZSA-N	354.331	5.266	50	40	FKGB	
O=C(N/N=C\c1ccc(-c2ccccc2Cl)o1)c1ccc(Cl)cc1	4775422	RFFWBDUUZRNRTF-NHDPSOOVSA-N	359.212	5.017	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc(C(=O)O)cc1	408541786	HRAPXYRZIYTMOW-NDENLUEZSA-N	373.383	5.167	50	40	FKGB	
O=C(/C=C/c1ccccc1C(F)(F)F)c1ccc(O)c(CCCl)c1	12976015	DCCQDVXMOODGKC-FNORWQNLSA-N	354.755	5.088	50	40	FKGB	
COC(=O)N(/N=C(/C/N=N/c1ccccc1)c1ccccc1)c1ccccc1	100988438	FTATZTWCZFDIBH-QMIVBDFCSA-N	372.428	5.448	50	40	FKGB	
ClC[C@@H](Cl)CCCCCC[C@H](Cl)CC(Cl)(Cl)Cl	103659944	BGUCVTBWQJKWCX-UWVGGRQHSA-N	362.983	6.541	50	40	FKGB	in-vitro
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cc2ccccc2o1	408843869	AYVLTAIQRNNPQO-UUYOSTAYSA-N	364.788	5.110	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4n3C)o2)cc1	4137002	FAWNGUJRDUFAKT-QGOAFFKASA-N	367.408	5.100	50	40	FKGB	
Cc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1	15013328	BAUBQICJKBSRQM-NTEUORMPSA-N	359.256	5.464	50	40	FKGB	
C[C@@H](Br)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	104395293	SUPQTZJFEFOIPN-UWTATZPHSA-N	357.289	6.410	50	40	FKGB	
CC(=O)Nc1sc(/C(C#N)=C/[C@@H]2CC=CCC2)nc1-c1ccc(C)cc1	913262	XBHVGRUNGZAOGF-YAJBTMAUSA-N	363.486	5.340	50	40	FKGB	
COc1ccc(/N=c2\scc(CCl)n2[C@@H](C)c2ccccc2)cc1	4801709	LXLXMZJXZVEKJT-MPHHAOFMSA-N	358.894	5.139	50	40	FKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528090	INHPLAZBIGIULH-SECBINFHSA-N	372.159	5.738	50	40	FKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	2669642	HGQDEROEOCVXQE-KNTRCKAVSA-N	351.446	5.757	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1	15008875	MVGJMJWLBSZKSK-SAPNQHFASA-N	353.425	5.569	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	409043643	SOCHCCTZLQRRCU-NTUHNPAUSA-N	363.200	5.364	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1F	6884296	ZTBFPQXVPNNGJY-UKTHLTGXSA-N	368.751	5.711	50	40	FKGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1	33932607	YKASVEFMZCSUQN-WQRHYEAKSA-N	374.465	5.416	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1F	108008747	JXMZLAIHUNMORA-WQRHYEAKSA-N	361.376	5.206	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C(C)C	408789167	OGRRIGUMLZSISC-YBFXNURJSA-N	362.473	5.290	50	40	FKGB	
CCCCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2669610	SDPAKUYPSREZQY-FMIVXFBMSA-N	364.228	5.504	50	40	FKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	408819698	RGRZSLBIKLBFAS-XSFVSMFZSA-N	368.867	6.407	50	40	FKGB	
N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1ccccc1	6496156	QJNVUTIYPAJQIQ-HXUWFJFHSA-N	370.477	5.112	50	40	FKGB	
ClC(Cl)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1	6668360	CUQBFKXHHHKMSR-UHFFFAOYSA-N	368.263	5.842	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Cl	107729634	QNKUKOYKSICVGR-WPBJZHHJSA-N	356.809	5.490	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccc(C(=O)O)cc1	33396303	BGJVYSZZEBZDAR-STZFKDTASA-N	355.393	5.028	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(C)cc3)c2)cc1	408580573	CNHIJGAPAOBBLJ-HYARGMPZSA-N	355.437	5.647	50	40	FKGB	
ClCCN1c2ccc3ccccc3c2Sc2c1ccc1ccccc21	1684070	LGSUQZALUDMXLK-UHFFFAOYSA-N	361.897	6.835	50	40	FKGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(Cl)c(Cl)c1	6240176	UYKWTNWJFFDOHD-RMKNXTFCSA-N	369.610	5.332	50	40	FKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OC(C)C	33477171	GCWDSTFSSZCANN-NVNXTCNLSA-N	372.808	5.108	50	40	FKGB	
N#C/C(=C\c1cccc2c1OCO2)c1nc2cc(C(F)(F)F)ccc2s1	40139837	YTIMVNVROQQZOB-IZZDOVSWSA-N	374.343	5.108	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccccc1F	107668803	CSOOVVKYHVZJSK-AQTBWJFISA-N	363.819	6.122	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1ccc(Cl)cc1	209384269	FEQJNRFGHZDUTO-KAMYIIQDSA-N	366.779	5.285	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccc2ccccc2c1	408549498	UNVWLTABDHXQNB-XYGWBWBKSA-N	361.444	6.483	50	40	FKGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@H](c1ccccc1)C1CCCCC1	408723776	LJTZMSVAVZBWNJ-KMUCBOENSA-N	354.881	5.154	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1	408844278	BTLVZCMPYCSVQW-VCHYOVAHSA-N	362.473	5.493	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cccc(F)c1	1059016	WVZAJLCAMTZUSY-RVDMUPIBSA-N	357.306	6.169	50	40	FKGB	
O=P(CCl)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	1603232	BCJSMEBHAUEMOB-UHFFFAOYSA-N	351.553	5.841	50	40	FKGB	
N#C/C(=C\n1c(=S)sc2ccccc21)c1nc2ccccc2s1	5594356	DPOZXGWQIRZHRP-ZHACJKMWSA-N	351.481	5.564	50	40	FKGB	
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)C(O)(O)CCCl	1570006799	KLYASQFFIJUYJM-PDBXOOCHSA-N	370.961	5.455	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)cc1	5174677	UOXMXWLDJPUPDE-XOAFGZPJSA-N	351.519	5.178	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1	2669492	XFECHOOMCOUYOE-UKTHLTGXSA-N	374.654	6.971	50	40	FKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)[C@@H](C)Nc1ccc(C)cc1	15930571	MCAISERHHGOOTF-ZLBNHCIXSA-N	363.505	5.124	50	40	FKGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)c1ccccn1	48275883	JBCJEGBZWSGQQU-GDNBJRDFSA-N	369.255	5.006	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1nc2ccc(F)cc2[nH]1	408567890	GRIOJIJRSMCPSX-RAXLEYEMSA-N	362.795	5.210	50	40	FKGB	
Cc1ccc(SCC(=O)NN=C2CCCCCCCCCCC2)cc1	408776820	QZIWRINEPXUVFE-UHFFFAOYSA-N	360.567	5.864	50	40	FKGB	
CCOC(=O)C(C#N)=C(SCc1ccccc1)SCc1ccccc1	4293600	ZQAVXRZNNHNNIQ-UHFFFAOYSA-N	369.511	5.151	50	40	FKGB	biogenic
Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)o2)cc1	6845838	JQHOBSQAEZKSKY-VBKFSLOCSA-N	362.410	5.712	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c2ccccc12	408790798	YWKFDBPXVYEUFB-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	1773128	HOWYDWFHCLSUGO-CAPFRKAQSA-N	370.452	5.564	50	40	FKGB	
Cc1[nH]c2c(ccc3ccccc32)c1[C@H]1[C@@H](CCNC(=O)CCl)C1(C)C	5478380	CDPLABCXMPPASM-YLJYHZDGSA-N	368.908	5.114	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(N(C)C)cc3)n2)cc1	6354174	LWRAFIAYEGQGFS-UYRXBGFRSA-N	359.498	5.503	50	40	FKGB	
c1ccc(C[P+]2(c3ccccc3)c3ccccc3-c3ccccc32)cc1	73403385	COJNNQRASYYYMG-UHFFFAOYSA-N	351.409	5.161	50	40	FKGB	
CC(C)c1ccc(N/C(S)=C(/C#N)c2nc3ccccc3s2)cc1	96996702	BHYQZNRXIIXMMC-OBGWFSINSA-N	351.500	5.654	50	40	FKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)CCCCCCC)cc1	100045133	RVLSTJJVSQGIFV-FCDQGJHFSA-N	360.542	5.846	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1Cl	408583039	RGFXVCNUZHOYOP-OQLLNIDSSA-N	362.256	5.855	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccccc4)c3C)[nH]c2cc1C	408785610	ABDZBKNMELOAHN-MOSHPQCFSA-N	366.468	5.651	50	40	FKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	408947212	AVNOJOXLKQJBTC-JJFYIABZSA-N	373.239	5.326	50	40	FKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1	842723	OQOXNVBMUKERDY-OAQYLSRUSA-N	354.453	5.355	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)c1ccccc1	4613909	PTSQEZCMFWHTGZ-XSFVSMFZSA-N	357.384	5.195	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	6510222	RADKHDKYUIHXIN-JLHYYAGUSA-N	358.235	5.231	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3cccc(C)c3C)[nH]c2c1	33776561	WXSYCOYIDRNLRX-AQTBWJFISA-N	352.441	5.343	50	40	FKGB	
Clc1ccccc1P(c1ccccc1Cl)c1ccccc1Cl	104376151	NVHBOGYLRXICJB-UHFFFAOYSA-N	365.627	5.405	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)cc1OC	3309630	VULYCPAVYZXGBG-RVDMUPIBSA-N	365.816	5.681	50	40	FKGB	
CC(C)(C)c1ccc(OP(=O)(c2ccccc2)c2ccccc2)cc1	68600101	LGMQZQNDAHGIMB-UHFFFAOYSA-N	350.398	5.292	50	40	FKGB	biogenic
COc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2[nH]1	408599370	TWJXZPXQIDCTPR-NTCAYCPXSA-N	357.438	5.381	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)c1C	408773867	MQTYOTYHABLWND-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)c1cccc(F)c1	409390321	DZAYFZPNJGQQPV-SFQUDFHCSA-N	365.860	6.694	50	40	FKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	3242903	XIUUQDDNQOXQDC-RVDMUPIBSA-N	353.293	5.377	50	40	FKGB	
CN1/C(=C/C2=CC3=CC(=C(C#N)C#N)CC[C@H]3CC2)Sc2ccccc21	5447136	RBXBBHDHJXDXIO-OLIBUNOHSA-N	357.482	5.470	50	40	FKGB	
CC[C@H](C)n1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	6940523	XMCBQFRPRJRZBW-OFJBCHTGSA-N	353.853	5.030	50	40	FKGB	
CCCCC/C(=N\NC(=O)c1cccc(Br)c1)c1ccccc1	13942174	XHADQEJICKPULN-DYTRJAOYSA-N	373.294	5.164	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)o1	100377387	ZUYXGPDRKZIGCF-YGGSFQBMSA-N	370.880	5.185	50	40	FKGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1cc2c(ccc3ccccc32)o1	695181	IFOVFNMBGLBARV-FOKLQQMPSA-N	366.779	5.142	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OCC	4699793	LZBSWTMRIICQDY-FOWTUZBSSA-N	362.454	5.324	50	40	FKGB	
CCCC[C@H](Cl)CP(=O)(N1CCCCCC1)N1CCCCCC1	5447225	KXQOXRXKADZNIS-SFHVURJKSA-N	362.926	5.729	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	209399543	NTBHGORFUPSNOZ-KGENOOAVSA-N	370.408	5.546	50	40	FKGB	
CCCCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1	1772591	PFXBZPAXNKLWJN-HMMYKYKNSA-N	362.473	5.535	50	40	FKGB	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1c(Cl)cccc1Cl	23215357	OKYCLAVMAACSAB-DHZHZOJOSA-N	351.620	5.192	50	40	FKGB	
O=C(CBr)C1c2cc(Cl)ccc2-c2ccc(Cl)cc21	256605004	WTQHRMZDHWVCAF-UHFFFAOYSA-N	356.046	5.070	50	40	FKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)c1	408791833	DEPXPZOHIPRHOZ-GHRIWEEISA-N	374.465	5.593	50	40	FKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1	408865766	FIWVGCPDELKMSN-HMMYKYKNSA-N	372.855	5.476	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1Cl	408876130	NHQLYZUKDZRKML-SFQUDFHCSA-N	368.864	5.237	50	40	FKGB	
CCN1C(=CC2=CC(=C(C#N)C#N)CC(C)(C)C2)N(CC)c2ccccc21	685944448	NIUSNHFGTXHQRN-UHFFFAOYSA-N	358.489	5.284	50	40	FKGB	
C=CC[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C	1565504812	NBALLXXQBOROKD-HOTGVXAUSA-N	355.595	5.352	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(Cl)c1	5214370	LFSMBJFXTCZZRY-GXDHUFHOSA-N	366.779	5.285	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)c1ccccc1	14357379	RKFMLDGOADMCBS-SDNWHVSQSA-N	368.219	6.043	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(OC)c3)n2)cc1	96024152	WIZKSLCCDHSFCS-LGMDPLHJSA-N	361.470	5.358	50	40	FKGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc([C@H](C)CC)cc2s1	20132698	TVHLFHLDOWTGBY-PWSUYJOCSA-N	369.328	5.312	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2)[nH]1)c1nc(-c2ccsc2)cs1	67299985	YJIMDMYDXPOSHE-MHWRWJLKSA-N	359.479	5.931	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3ccc(C)c(C)c3)nc2c1	107811139	ASVVEGLZHHKYDF-AQTBWJFISA-N	352.441	5.343	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(C(F)(F)F)cn1	22958524	FZYPBJXSHBALFP-UKTHLTGXSA-N	374.749	6.078	50	40	FKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=C[C@@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	100066728	FRCCEHPWNOQAEU-VVZGCNPUSA-N	373.321	5.242	50	40	FKGB	biogenic,in-vitro
Cc1ccc(NC(=O)/C(C#N)=C\c2c3ccccc3cc3ccccc23)cc1	209987373	XHSSXNUBWUAPKF-HKWRFOASSA-N	362.432	5.847	50	40	FKGB	
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O[Si](C)(C)C)CC[C@H]12	255218096	HNZDTAXZHUDITM-YGBDOONVSA-N	360.614	5.738	50	40	FKGB	
CC(C)=CCC/C(C)=C/C=N/NC(=O)c1ccc(C)c(Br)c1	2134937	NEUVNXACOCZRGT-VRMGELTQSA-N	363.299	5.166	50	40	FKGB	
N#C/C(=C/c1cccs1)c1nc(-c2ccc(Cl)cc2Cl)cs1	4807915	QCUHJNKCMFYWER-POHAHGRESA-N	363.294	6.243	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	209403376	AZPWDAVGRLZOLR-KGENOOAVSA-N	359.856	6.292	50	40	FKGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(Cl)cc1Cl	409103570	AJJJQGPPAKMLCC-WJDWOHSUSA-N	373.283	5.203	50	40	FKGB	
Cc1ccc([C@H]2C=C(c3ccccc3)OC(c3ccccc3)=C2C=O)cc1	3208903	CTLYZXCMYCLNCV-JOCHJYFZSA-N	352.433	5.760	50	40	FKGB	
C[C@@H]1CCc2nc(/C(C#N)=C/c3cccc(Oc4ccccc4)c3)sc2C1	5577939	FWLGZHADLWXSOH-APVMCDBPSA-N	372.493	6.124	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccc([N+](=O)[O-])cc1	13899194	COMHSRZXDVYRCN-RVDMUPIBSA-N	350.761	5.572	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1nc2ccccc2[nH]1	13943553	ZQXMRCCTZFVJBK-AQTBWJFISA-N	369.399	5.345	50	40	FKGB	
Cc1c2ccccc2c(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@@]32C)c2ccccc12	408726642	UKECVPFTVCHFPO-NGDPLXEMSA-N	370.496	5.578	50	40	FKGB	
N#CC(C#N)=Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12	1385813	FLLAQPNYKRQHPN-UHFFFAOYSA-N	372.737	5.128	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc1[N+](=O)[O-]	22958575	QECODICJZWPCBF-NTUHNPAUSA-N	361.323	5.196	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccccc2F)c(C)n1-c1ccc([N+](=O)[O-])cc1	33724873	AUAGPUMXBGEXAJ-SFQUDFHCSA-N	361.376	5.206	50	40	FKGB	
O=C(CCCl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	1691501	HLBQOMQCXWTVKP-UHFFFAOYSA-N	356.847	5.488	50	40	FKGB	
CCc1cc2c(cc1[C@]1(C)OC[C@@H](CCl)O1)C(C)(C)CCC2(C)C	5477211	IQPQJBYDIZUVFQ-QVKFZJNVSA-N	350.930	5.425	50	40	FKGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccccc2C(C)(C)C)cc1	33345915	UBCWJTRYKMSZFM-SDXDJHTJSA-N	363.457	5.285	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)cc1	39884447	LKCLSCKDDNDNLZ-DTQAZKPQSA-N	360.388	5.194	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408814724	WCVAJUSHHKNHQH-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
O=C1[C@H](Cl)N(c2c(Cl)cccc2Cl)[C@H]1c1c[nH]c2ccccc12	5594153	QJCJCUBGQAJDCL-WMLDXEAASA-N	365.647	5.170	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	7071439	SYIYSEODYUMAAV-YDRQLGOLSA-N	356.809	5.490	50	40	FKGB	
Cc1ccccc1/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	13029415	ZDFWEKKBHBSONE-LICLKQGHSA-N	370.433	5.289	50	40	FKGB	
CCOC(=O)[C@H](Cl)c1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-]	108618888	DNHQPSFQTYYSPQ-SECBINFHSA-N	369.695	5.095	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)c1nc2ccccc2[nH]1	113831057	IUTYTCGPWASOPA-QGOAFFKASA-N	369.399	5.345	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc2ccccc2c1	408550023	CPTHWMASSMBYTP-UQQQWYQISA-N	361.444	6.483	50	40	FKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2cccc(C#N)c2)o1	6206225	HNHUNVIYEGCINF-YVLHZVERSA-N	355.353	5.099	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc2c(c1)OCO2	409359222	AJBODFOKYLCOID-LDADJPATSA-N	357.409	5.421	50	40	FKGB	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1ccc(SC(F)F)cc1	3188505	ZNNUXBJQQHLAIK-FMIVXFBMSA-N	364.804	5.200	50	40	FKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)cc1	20243939	WCSCWHZTCBOMCR-WSDLNYQXSA-N	374.937	5.021	50	40	FKGB	
Cc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1Br	408599635	XWKMBAPSXQQSQT-MDWZMJQESA-N	370.275	5.291	50	40	FKGB	
CC(C)(C)c1cc(/C=C(/C#N)c2cccc(F)c2)cc(C(C)(C)C)c1O	409392820	NTSFVMKBYKZWAL-YVLHZVERSA-N	351.465	6.190	50	40	FKGB	
CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(F)cc2)cs1	4174925	RSAXPYOFNACAMJ-WJDWOHSUSA-N	350.418	5.412	50	40	FKGB	
CCCCCCn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21	9187312	QICNZDOMMLYESW-OBGWFSINSA-N	368.484	6.162	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1ccc(C(F)(F)F)cn1	98004439	FCWLQEBJFXUQCQ-PDGQHHTCSA-N	350.343	5.832	50	40	FKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc(Cl)cc1	4739430	QPDJJWOLXXSOPT-AQTBWJFISA-N	352.865	5.403	50	40	FKGB	
CC[C@@H](C)SSc1ccccc1C(=O)Nc1ccc(Cl)cc1	6001791	JUCSCGFZTSSBTK-GFCCVEGCSA-N	351.924	6.131	50	40	FKGB	
O=C(Nc1ccc(Cl)cc1Cl)NN(c1ccccc1)c1ccccc1	6927512	GFDMYVQDMIJXPK-UHFFFAOYSA-N	372.255	5.868	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)cc3)n2)cc1OC	44827312	XTZCMXOVXMVNDR-LICLKQGHSA-N	362.454	5.200	50	40	FKGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(-c2ccc(F)cc2F)o1	1856534	FYDLMUQEIBJKOB-GXDHUFHOSA-N	367.288	5.355	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)o1	5547480	CWLAZRRFQFDVRM-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
Cc1oc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)c(C#N)c1C	107855610	WWHBPJKZYBSZLG-FBHDLOMBSA-N	366.424	5.112	50	40	FKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	408896388	QTHJTKJNVKNFTL-KPKJPENVSA-N	365.647	5.501	50	40	FKGB	
COc1ccc2c(c1)N(C(=O)CCl)C(C)(C)c1ssc(=S)c1-2	793984	XNOMIQAYUHXMEQ-UHFFFAOYSA-N	371.936	5.035	50	40	FKGB	
O=C(Nc1ccc(Cl)c(Cl)c1)NN(c1ccccc1)c1ccccc1	6529785	QAIXWYBHAMSIIN-UHFFFAOYSA-N	372.255	5.868	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc(F)cc1	12363778	IMVINFCQZWQSHL-ZROIWOOFSA-N	367.763	5.501	50	40	FKGB	
CCc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccccc1	4957133	NCXKCNFETNHTRY-FOWTUZBSSA-N	350.874	6.090	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	6240970	KGZNUAWVNDFHDY-IZZDOVSWSA-N	351.620	5.192	50	40	FKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)[C@H](C)Nc1ccc(C)cc1	15930573	MCAISERHHGOOTF-CVQNSVMDSA-N	363.505	5.124	50	40	FKGB	
CCCCCCCC/C=C\CCCCCCCCCCCC(=O)Cl	103659570	JNKSXSJNLXMTSV-KTKRTIGZSA-N	357.022	8.350	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1C1CCCC1	408769270	QFRUQVWSCWFAIW-WQRHYEAKSA-N	358.407	6.303	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nc(-c2ccco2)cs1	4291957	SRPYYTICUGFOCP-GXDHUFHOSA-N	362.385	5.866	50	40	FKGB	
C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)c2ccccc21	408820858	ZUNYCFZIHDVKTK-XMHGGMMESA-N	369.468	5.298	50	40	FKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1C(C)C	408853161	YVXZFWBBLFCURC-XDHOZWIPSA-N	362.473	5.371	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	4645171	APWJLDFGYSWVDQ-VBKFSLOCSA-N	362.816	5.454	50	40	FKGB	
O=C(CCCCl)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1	8150753	SGIYMXYKYDXFJV-UHFFFAOYSA-N	356.878	5.435	50	40	FKGB	
C/C=C\C(=O)Oc1c([C@@H](C)CCCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	43068701	NIOPZPCMRQGZCE-QGOGUYACSA-N	364.398	5.058	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(F)c3)c2C)cc1	59137229	KQMCQNNRVWNNQX-UNOMPAQXSA-N	373.431	5.087	50	40	FKGB	
CCO[Si](CCCCCCCCCCCCl)(OCC)OCC	198065990	DJIBPOHTDYJVAE-UHFFFAOYSA-N	353.019	5.785	50	40	FKGB	
C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1	4935212	UQYNQTVJFFSTPH-FEIUABRGSA-N	361.228	5.255	50	40	FKGB	
C[C@@]12CC[C@@H](c3nc4cc5ccccc5cc4nc31)[C@@]2(C)CBr	72221213	PUTRYMYPKQATCU-VHKYSDTDSA-N	367.290	5.333	50	40	FKGB	
Cc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1Br	408589108	YRQWDYFWTOJGFB-MLPAPPSSSA-N	367.073	6.129	50	40	FKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408999436	KZVAQYHSYUJFLY-XYGWBWBKSA-N	373.500	5.156	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1ccc2ccccc2c1	409020713	SIVYUDFUVSIFMF-ZVHZXABRSA-N	358.372	5.003	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(C#N)cc1	409368591	DCOZDAXSABTSJQ-SXGWCWSVSA-N	374.783	5.234	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OC(C)C	5980198	UDCZZPLBFWBDHQ-DHDCSXOGSA-N	359.828	5.729	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])n2)cc1C	6205789	TUYLYVKZIHXVSZ-LICLKQGHSA-N	361.426	5.399	50	40	FKGB	
CCN(CC)c1ccc(C(=O)N/N=C2/CCCC[C@@H]2C2CCCCC2)cc1	103454387	ASTRLFPJCXPSKV-KKPVDXMRSA-N	369.553	5.389	50	40	FKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1F	211419819	YGOKWVLTBSEIKL-LGMDPLHJSA-N	358.372	5.164	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1F	408866415	FQZWPNOZJUEVNI-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	2109293	HXPAMMOYKRUMJA-XIEYBQDHSA-N	373.500	5.230	50	40	FKGB	
N#C/C(=C/c1ccco1)c1nc(-c2ccc(Br)cc2)cs1	4292680	COOXZOLWMKWVQI-WQLSENKSSA-N	357.232	5.230	50	40	FKGB	
C[C@H]1CCc2sc(C(=O)NN=C3CCC(c4ccccc4)CC3)cc2C1	6052322	JGJCXYBAQFXZMK-MYJWUSKBSA-N	366.530	5.317	50	40	FKGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	17075834	MUFWZYQVWOGPMK-XYOKQWHBSA-N	370.239	5.329	50	40	FKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(C(C)C)cc2s1	20133005	GOKCLHWMSUHEDP-GFCCVEGCSA-N	369.328	5.312	50	40	FKGB	
Fc1ccc2nc(-c3ccc(CBr)c(Cl)c3)sc2c1	45923302	KRBHTKXASLEXGT-UHFFFAOYSA-N	356.647	5.651	50	40	FKGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)C1	95938763	UDYAOMGDXXINNT-ONAIBIAESA-N	358.485	5.223	50	40	FKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc(F)cc1	408953450	PRGMDXZUIKKFQS-UITAMQMPSA-N	371.003	5.008	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	14134867	LPAXPOXEIFCVOM-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)ccc1O	35386512	BHQFGTBRLWDDSU-UKTHLTGXSA-N	354.456	5.057	50	40	FKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1	4579548	CZNMTYICSBGESG-KEBDBYFISA-N	363.269	5.362	50	40	FKGB	
C/C(=N/NC(=O)c1ccc2ccccc2n1)c1ccc(C2CCCCC2)cc1	6021575	JSSXVFGBQZIROS-ONUIUJJFSA-N	371.484	5.437	50	40	FKGB	
N#C/C(=C/c1cccc(Br)c1)c1nc(-c2ccccc2)cs1	6496239	OXDOZVAIDZUGMW-DHDCSXOGSA-N	367.271	5.637	50	40	FKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C=C[C@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	100066724	FRCCEHPWNOQAEU-QMOXPYRXSA-N	373.321	5.242	50	40	FKGB	biogenic,in-vitro
CC[C@H](C)c1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1	20133428	WRWBADZKIWILNK-IINYFYTJSA-N	369.328	5.168	50	40	FKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)CCl	72400247	SQEOYUUMBWVKDM-QJRAZLAKSA-N	374.993	6.167	50	40	FKGB	in-vitro
O=C(N/N=C\c1ccco1)c1sc2cc(Cl)cc(Cl)c2c1Cl	408969347	MIHSDHVHRGLLAL-FXBPXSCXSA-N	373.648	5.218	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1OC	408579400	GXPOBNLUFDYJBZ-KGENOOAVSA-N	371.436	5.347	50	40	FKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1C	408786890	OZXSMQGXCXKHEW-QNGOZBTKSA-N	369.468	5.202	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1cccc(F)c1	409390719	GRTPMLDUXZBSSZ-JAIQZWGSSA-N	373.383	5.167	50	40	FKGB	
N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)c1nc2ccccc2[nH]1	41157748	JGIBTMMFONBKCJ-FOWTUZBSSA-N	371.827	6.073	50	40	FKGB	
CC(C)COC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	44932784	LEGNOOGYAZRBQL-ZROIWOOFSA-N	363.335	5.072	50	40	FKGB	
Cc1c2ccccc2c(/C=C(/C#N)C(=O)NC2CCCCC2)c2ccccc12	408997021	FZGNYOZFQFLZAW-SDXDJHTJSA-N	368.480	5.657	50	40	FKGB	
Cc1c2ccccc2c(/C=N\NC(=O)Nc2ccccc2)c2ccccc12	409002363	UBXNJHCHZUPMRC-IWIPYMOSSA-N	353.425	5.457	50	40	FKGB	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2669684	VQCFCUOXERNMDJ-SERMCNLOSA-N	364.228	5.502	50	40	FKGB	
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)[C@@H]1CC12CCC2	3140416	IIWWYVKXMVNAJG-XDGMFZBDSA-N	356.469	5.076	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1	408580929	FHJOMZDUQGMFGU-XSFVSMFZSA-N	359.400	5.477	50	40	FKGB	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1	4889425	WZTWKKZBWRGELO-GAFVJCAHSA-N	361.228	5.255	50	40	FKGB	
CSc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	7751120	VZNBGJNWGNKTCC-FMIVXFBMSA-N	363.269	5.261	50	40	FKGB	
CCCCc1ccc2nc(NC(=O)[C@H](Br)CCC)sc2c1	20132679	WTNNCAWADUPOTA-GFCCVEGCSA-N	369.328	5.141	50	40	FKGB	
CCCCCCCCCCCC[C@H](CBr)[n+]1ccccc1	100932124	RJRBSGXRANPXOY-LJQANCHMSA-N	355.384	6.221	50	40	FKGB	
O=C(/C=C/c1cccc(Oc2ccccc2)c1)Oc1ccc([N+](=O)[O-])cc1	103592546	JIVGOEHADIFUKH-NTEUORMPSA-N	361.353	5.006	50	40	FKGB	
O=C(CCCC[C@H]1CCSS1)N1CCC(Cc2ccccc2)CC1	105008829	BHSSLONYHCCCGT-IBGZPJMESA-N	363.592	5.182	50	40	FKGB	
CCCCCCCCCCCC[C@H](C)[Si](OCC)(OCC)OCC	220750848	SVFWPRCKSMTKQN-FQEVSTJZSA-N	360.655	6.736	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(C(=O)O)cc3)cc2)cc1	408543711	SHRJMAYIRDPCCR-HMAPJEAMSA-N	369.420	5.336	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1	408581652	YKGHRSYUIGAUGF-FYJGNVAPSA-N	359.856	6.292	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3CC)n2)cc1	4063714	OLGPYZYWGZTYPB-XMHGGMMESA-N	359.498	5.911	50	40	FKGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	59250005	OMKQTBLQMABITL-BUVRLJJBSA-N	373.843	5.048	50	40	FKGB	
O=C(CCl)N(CC1CCCCCCC1)c1cccc(C(F)(F)F)c1	199757499	ZVBLWKGBOYNIDJ-UHFFFAOYSA-N	361.835	5.638	50	40	FKGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c1	4853288	NHAZUBGWKBWFAO-YVLHZVERSA-N	362.454	5.200	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	408772601	PTLLKCUABXUVGG-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C1CCC(C(C)(C)C)CC1	408828749	JEOQDCXLACRAOT-KWCCSABGSA-N	366.958	5.529	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	7157263	WBBUINXQPYPYSW-AWZALFRUSA-N	370.452	5.023	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(F)cc1	9324254	IFRLBXGCWDHKIT-UKTHLTGXSA-N	368.751	5.711	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1Cl	408579363	GGABGPMWAVVGRW-GXDHUFHOSA-N	354.236	6.219	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1	408813136	OGJWJRDJXFYKAH-WOJGMQOQSA-N	350.824	5.951	50	40	FKGB	
N#C/C(=C\c1ccccc1Sc1ccccc1)c1cccc([N+](=O)[O-])c1	33659438	LORFIJNSHXXIAJ-QGOAFFKASA-N	358.422	5.810	50	40	FKGB	
Cc1cc(OCc2ccccc2)ccc1C(=O)CCCCBr	394779188	KTYKHPFMJODNHU-UHFFFAOYSA-N	361.279	5.322	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)cc1Cl	408581072	UBYYPBALXCKSBR-RVDMUPIBSA-N	368.263	6.609	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)c1C	408768907	LNKUCIPKZYDWJL-MOSHPQCFSA-N	361.489	5.383	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc(F)c1	409389630	CGGWRYULWGSZKI-LCYFTJDESA-N	368.751	5.711	50	40	FKGB	
Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccc3ccccc3c2)c1	1772715430	ZJQZZBJHCKWIAX-UHFFFAOYSA-N	368.460	5.832	50	40	FKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc2ccccc2s1	33775749	CMULJZPGRFIBIW-LGMDPLHJSA-N	354.434	6.153	50	40	FKGB	
Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408569491	OGRWSQGLPNYNMR-ATVHPVEESA-N	360.436	5.065	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)cc1C	2278465	FRZZBACCTZIQMS-DEDYPNTBSA-N	373.525	6.527	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl	2848494	YUEHTHHDWUGNQU-RIYZIHGNSA-N	362.643	5.723	50	40	FKGB	
Cc1c(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc2n1C	35191519	NHUKUULVNPWRBZ-SDNWHVSQSA-N	361.495	5.753	50	40	FKGB	
O=P(Cl)(C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3	196963241	KIBRCPSTYUAAGQ-UHFFFAOYSA-N	352.886	6.153	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccccc3)c2)cc1OC	408580910	SKZIJPRIPFBNTA-FYJGNVAPSA-N	371.436	5.347	50	40	FKGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1cccc(C(F)(F)F)c1	408959830	GOLIMKNJPFDGJT-PDGQHHTCSA-N	356.391	5.678	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Cl	409043401	QPVSMSGPPFNKJA-MDWZMJQESA-N	373.239	5.988	50	40	FKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)c3ccc(Cl)cc3)c2C)c1	4853860	QHEHXJAOSIFCQV-FYJGNVAPSA-N	360.888	6.429	50	40	FKGB	
Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)c(C)c1	33642149	JIYVAGZJHSEQSS-BKUYFWCQSA-N	358.460	6.223	50	40	FKGB	
COc1cc(-c2csc(C(C#N)=C3CCCCC3)n2)cc(OC)c1OC	12978717	ZUDTUQOUDPXOGZ-UHFFFAOYSA-N	370.474	5.077	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)c1	15012249	XRYNBUVJHWHBNC-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
C=C1C(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C	195929147	HMIPXZOWGMCFDW-WBVHZDCISA-N	370.682	5.686	50	40	FKGB	in-vitro
Cc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1	408581246	VIQZYOMOXVVTOM-KGENOOAVSA-N	359.856	6.292	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)Cn1cnc2ccccc21	408691715	NDPBQKUYULNZJO-GDNBJRDFSA-N	359.816	5.557	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	408737857	IMAHVSIYMKGOEB-PDGQHHTCSA-N	367.279	6.465	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)c2ccc(Br)cc2)cc1C(C)C	408842671	ALEGNTHQASUNCZ-LICLKQGHSA-N	370.290	5.954	50	40	FKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(C)c1	409008334	WBTILKHBJWCYHD-JLPGSUDCSA-N	360.457	5.091	50	40	FKGB	
C[C@H](Cl)C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C	1250472	UZDSEPGAPMELIS-QMMMGPOBSA-N	355.937	5.415	50	40	FKGB	
CC(C)(C)c1cc(/C=N/NC(=O)Nc2ccccc2)c(O)c(C(C)(C)C)c1	4700669	LLPHZPAWDKCFMA-OEAKJJBVSA-N	367.493	5.143	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)c1	6217011	OMBYJELVKQVILB-NTCAYCPXSA-N	362.816	5.454	50	40	FKGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc([C@H](C)CC)cc2s1	20132695	TVHLFHLDOWTGBY-ZYHUDNBSSA-N	369.328	5.312	50	40	FKGB	
C/C=C\C(=O)Oc1c([C@H](C)CCCCCC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	43068697	NIOPZPCMRQGZCE-WYOARUQKSA-N	364.398	5.058	50	40	FKGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1	408579369	GIJVSUYKONCERA-XNTDXEJSSA-N	372.649	5.179	50	40	FKGB	
O=C(CSc1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	408785035	XEFCRPMILMOANL-BUVRLJJBSA-N	370.477	5.235	50	40	FKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccccc1	408867275	LGXNCOWYQMBAGE-HMMYKYKNSA-N	372.855	5.476	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1cccc(F)c1	409390282	DVBNLHUJXXQSBO-ZROIWOOFSA-N	367.763	5.501	50	40	FKGB	
C[C@H](CN1c2ccccc2Sc2ccc(Cl)cc21)N(C)CCCl	1722362	RGEHNLGHIZDCPD-CYBMUJFWSA-N	367.345	5.502	50	40	FKGB	
CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCCCl	5510366	SCJNCDSAIRBRIA-BJCBFJDFSA-N	365.989	6.487	50	40	FKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1)c1ccccc1	8240096	KNYFOZDMDGOSDQ-PAJXCOJRSA-N	352.437	5.138	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(Cl)c1	408599393	UDOVYEDRMNTAHL-RVDMUPIBSA-N	350.761	5.572	50	40	FKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccccc1	408691666	KVANRCIKWAVJQT-UYRXBGFRSA-N	352.441	5.051	50	40	FKGB	
Cc1ccn2c(C(=O)NN=C3CCCCCCCCCCC3)c(C)nc2c1	631803	KEQHQDVLUSOVFG-UHFFFAOYSA-N	368.525	5.342	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C(F)(F)F)n2)cc1	5683944	RQXCQWPCMJSNSX-YBEGLDIGSA-N	370.399	6.202	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cccc(F)c1	409389868	COWXLGMGFIMLQW-ODLFYWEKSA-N	374.371	5.377	50	40	FKGB	
CC[C@@H](C)c1ccc2nc(N(Cc3ccccc3)C(=O)CCl)sc2c1	4205978	XEJILLIQRKHMEQ-CQSZACIVSA-N	372.921	5.582	50	40	FKGB	
CCCCCC(/C=N\NC(=O)c1cccc2ccccc12)=C\c1ccccc1	31672158	XCJOWVJSYBNYQX-XBAKAMDUSA-N	370.496	6.219	50	40	FKGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1	39383882	YCTAWWIOWUIOQT-WOJGMQOQSA-N	374.465	5.278	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)cc2)cc1	409366603	WYQZSSLTECHYPW-MTJSOVHGSA-N	369.420	5.367	50	40	FKGB	
CCC/C(=N/NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1	4897557	MWFOXWHKULCUOQ-QQTULTPQSA-N	357.457	5.046	50	40	FKGB	
O=C1OC(=O)c2c1c(-c1ccccc1)c1ccccc1c2-c1ccccc1	100494273	YYEOFVWLMSISRX-UHFFFAOYSA-N	350.373	5.484	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)cc1	5071841	PRVXVTOQQLTKQO-CPNJWEJPSA-N	352.441	5.343	50	40	FKGB	
Cc1csc(/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)s2)n1	23042699	SCYHUCCPKAWPMP-MDWZMJQESA-N	353.428	5.152	50	40	FKGB	
O=[N+]([O-])c1cccc(/N=N\c2ccc(N(CCCl)CCCl)cc2)c1	104189252	KAZWRDYCPFFMGD-VXPUYCOJSA-N	367.236	5.294	50	40	FKGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@@H](c1ccccc1)C1CCCCC1	408723777	LJTZMSVAVZBWNJ-VRMLFSPKSA-N	354.881	5.154	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl	408800972	QOAWWZMZRKYAAU-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(F)c1	12523714	IPASWXFBRBMLGT-GZTJUZNOSA-N	356.404	5.174	50	40	FKGB	
CN(CCC#N)c1ccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1	17128846	WERHYBQYOCWWJJ-ATVHPVEESA-N	355.363	5.119	50	40	FKGB	
CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2O[C@@]2(C)[C@H](O[Si](C)(C)C(C)(C)C)C1	206559699	NQALZHZPLDGLJR-YKTARERQSA-N	372.698	5.719	50	40	FKGB	in-vitro
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408786597	LDCCESOQSHKGSQ-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(\C#N)c2ccccc2)c1C	408910200	JNYKLEFZESQCLE-FYJGNVAPSA-N	356.425	5.165	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@@H](C)Sc1ccc(C)cc1	409123179	FRMASZNDMHYUGS-KIJZHVTOSA-N	368.546	5.336	50	40	FKGB	
CC(C)c1ccc(N/C=C(/C#N)S(=O)(=O)c2ccc(C(C)C)cc2)cc1	2561525	KLLYLIXCYZNGHW-STZFKDTASA-N	368.502	5.184	50	40	FKGB	
Cc1ccc(C2(c3ccc(C)cc3)C[C@H]2C(=O)NN=C2CCCCCC2)cc1	4409808	IYLNYNITKWHWAH-QHCPKHFHSA-N	374.528	5.436	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	6306925	CQMPDVUHYCCRTG-MOSHPQCFSA-N	374.509	6.081	50	40	FKGB	
N#C/C(=C\c1ccccc1Br)c1nc(-c2ccccc2)cs1	23101776	CMPAOWPJMDZWQB-XNTDXEJSSA-N	367.271	5.637	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1C	4794872	CQENDILNPCEZCH-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1	16790425	OFECSDUTSCASIR-YFHOEESVSA-N	369.726	5.089	50	40	FKGB	
Cl[C@@H]1C[C@H](C(Cl)(Cl)Cl)CC[C@H]1C(Cl)(Cl)Cl	104221466	JNTMWQZUXHDSDY-HSUXUTPPSA-N	353.331	5.751	50	40	FKGB	
ClP(Cl)CCP(CCP(Cl)Cl)c1ccccc1	104285586	MVPPQAFEJJPAOH-UHFFFAOYSA-N	367.948	6.373	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)Sc1nc2ccccc2[nH]1	408599630	XVUHYGQTGBSOFZ-GXDHUFHOSA-N	355.850	5.272	50	40	FKGB	
N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1ccccc1F	33873501	RWDZGUQOGACGQU-KAMYIIQDSA-N	367.221	5.443	50	40	FKGB	
CCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc21	408983386	LUDGNQJXBZKZEF-GDNBJRDFSA-N	363.848	5.169	50	40	FKGB	
O=C(c1cccc(OCc2cccc(F)c2)c1)[C@H](Cl)c1ccccc1	575357620	OROSJLLZQUGCGD-HXUWFJFHSA-N	354.808	5.568	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3)n2)cc1	6356348	MKTAHGWJOKRHDE-BOPFTXTBSA-N	350.874	6.090	50	40	FKGB	
Clc1cc(Cl)c2oc(-c3cccc(CBr)c3)nc2c1	41127360	OHORZAKKAFJTJN-UHFFFAOYSA-N	357.034	5.697	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	6341985	IHASXXZAMNILSE-DTQAZKPQSA-N	354.837	5.065	50	40	FKGB	
Cc1csc(/C(C#N)=C/c2c(C)nn(Cc3ccccc3Cl)c2C)n1	8207379	DVZHSPIOZCWVJT-LZYBPNLTSA-N	368.893	5.031	50	40	FKGB	
CC(C)(C)[Si](C)(C)OCC1(CO[Si](C)(C)C(C)(C)C)CC(N)C1	196642869	LNLVJYLLRAIAMS-UHFFFAOYSA-N	359.703	5.138	50	40	FKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2cccc(Cl)c2)c(OC(C)C)c1	408598893	KSPMKQFOZXICFW-ZDLGFXPLSA-N	355.865	5.979	50	40	FKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(OC(C)C)c1	409363342	WEDKNQXQMOJQGW-WQRHYEAKSA-N	366.417	5.233	50	40	FKGB	
O=C(N/N=C1/CCCc2ccccc21)c1sc2ccccc2c1Cl	33333936	SAFUZUXBQDEYDD-QNGOZBTKSA-N	354.862	5.025	50	40	FKGB	
CCCCCCCCCCCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1	97962685	QZDSUYWELMACND-LYBHJNIJSA-N	358.570	6.355	50	40	FKGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(Cl)cc1	217708791	SGWRERBCOQQING-UHFFFAOYSA-N	359.636	5.350	50	40	FKGB	
Cn1c(/C(C#N)=C/c2cccc(Oc3ccccc3)c2)nc2ccccc21	4032210	VVNBBVOPVKPISD-NBVRZTHBSA-N	351.409	5.430	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3)n2)cc1C	6478056	IYQNFRQERGNBLG-YVLHZVERSA-N	350.874	6.145	50	40	FKGB	
Cc1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	7347982	KJWQVYKIPKFATF-PTNGSMBKSA-N	351.862	5.749	50	40	FKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1Br	33659360	XCSGPKBAHSWZOE-ZROIWOOFSA-N	360.226	5.440	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1Br	33786862	OOOCVNOZSAULSN-OJNRTJSBSA-N	374.253	5.830	50	40	FKGB	
CCOc1cc(C)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC	408551197	MIOCZRFZPFUPSS-HMAPJEAMSA-N	357.453	6.010	50	40	FKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1	1300886	RFWNYDVHOBNJDD-LDADJPATSA-N	373.481	5.606	50	40	FKGB	
CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	2288032	WUWIEIMQSSWBSK-SFQUDFHCSA-N	363.461	6.049	50	40	FKGB	
Cc1ccc(C)c(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)c1	59516026	HLTTWMCOIYRQAP-UHFFFAOYSA-N	371.525	5.019	50	40	FKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1cc2ccccc2o1	408845105	FHBSPOHXVPFBKJ-UUYOSTAYSA-N	364.788	5.110	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3F)n2)cc1	2287341	KMTFLAJKRJTPCX-NTCAYCPXSA-N	365.433	5.324	50	40	FKGB	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1	4935218	UQYNQTVJFFSTPH-GAFVJCAHSA-N	361.228	5.255	50	40	FKGB	
C/C(=N\NC(=O)c1ccc2ccccc2n1)c1ccc(C2CCCCC2)cc1	12566376	JSSXVFGBQZIROS-YZSQISJMSA-N	371.484	5.437	50	40	FKGB	
COc1c(Cl)cc(/C=C(/C#N)c2ccccc2F)cc1Br	33768111	ICXPHRKUQGEXBA-WDZFZDKYSA-N	366.617	5.314	50	40	FKGB	
CC/C(=C(\C#N)c1ccc(F)cc1)c1ccc(OCCN(CC)CC)cc1	1692242	WEIFHEZCNIWSPP-FCQUAONHSA-N	366.480	5.391	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccccc1	8334358	PYIQOLWKSZKKMA-BKUYFWCQSA-N	357.413	5.126	50	40	FKGB	
C=C(C)[C@H](CC/C(C)=C/COc1c2occc2cc2ccc(=O)oc12)OO	85645844	ILYZUSHBLPOZIC-AAKUMTKESA-N	370.401	5.079	50	40	FKGB	biogenic
C[C@@H](Cl)c1ncnc(NCc2ccc(Cl)cc2Cl)c1Cl	95933422	ISITXSWVNMNEGB-SSDOTTSWSA-N	351.064	5.349	50	40	FKGB	
C/C(=N/NC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1ccncc1	100352757	PGIGDXVNEJOBDT-VWTBIULUSA-N	358.405	5.043	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccccc1C	211441515	CHCDDTXOBWEKLH-JXAWBTAJSA-N	356.425	5.093	50	40	FKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	4508751	KEXRAZFIUWPLSW-CAPFRKAQSA-N	362.473	5.500	50	40	FKGB	
N#C/C(=C\c1ccc(Br)o1)Sc1nc2ccccc2s1	6536758	YPNLLCSWMUOWAI-JXMROGBWSA-N	363.261	5.309	50	40	FKGB	
CCCC[C@H](Br)C(=O)Nc1nc2ccc(C(C)C)cc2s1	20133007	GOKCLHWMSUHEDP-LBPRGKRZSA-N	369.328	5.312	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117581	DUNWYMSDDUKCJJ-YVMONPNESA-N	357.649	5.254	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1F	107751181	NNXWFAMCJNVNFW-XFXZXTDPSA-N	368.751	5.711	50	40	FKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	1011386	UAYBWFWQDRUQIH-ZMOGYAJESA-N	367.408	5.140	50	40	FKGB	
FC(F)(F)c1cc(CN(CCCl)CCCl)cc(C(F)(F)F)c1	1657277	HGXBDVCNMPOINF-UHFFFAOYSA-N	368.148	5.004	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1	16158211	QJQWQBLODUIKOT-UYRXBGFRSA-N	374.371	5.377	50	40	FKGB	
O=[N+]([O-])c1cc(S(F)(F)(F)(F)F)cc(Br)c1Cl	100043588	YKUBLZTYKRBMEN-UHFFFAOYSA-N	362.501	5.668	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c2ccccc12	408796826	PJTGPKUNWGDTTQ-NTCAYCPXSA-N	362.816	5.047	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1C[C@@H]1c1ccccc1	2751811	ZQFSQCRNPJNROF-LMCBGLRMSA-N	364.448	5.247	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(CC)cc3)n2)cc1	4175063	CMHWIMLAFBCPLE-UYRXBGFRSA-N	360.482	5.835	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	212127121	PPVLYFZOORJYIS-DHDCSXOGSA-N	359.256	5.662	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	408581674	YQDBADXJMOHEIM-OQLLNIDSSA-N	360.240	5.631	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(Sc4ccccc4)o3)[nH]c2cc1C	408759137	YJZYOMUQPVOSSH-VBKFSLOCSA-N	371.465	5.988	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(F)c(Cl)c1	409390352	FBZJKIWPSBOSRF-MFOYZWKCSA-N	368.814	6.090	50	40	FKGB	
COc1cccc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)c1OC(C)C	1158387	WZAPQEPIMCENPT-MHWRWJLKSA-N	361.363	5.565	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	6494539	FZGQDDFYMHNLRT-ZSOIEALJSA-N	367.817	5.436	50	40	FKGB	
CCCCCCCCCCCCCC[Si](OCC)(OCC)OCC	195766226	SVKDNKCAGJVMMY-UHFFFAOYSA-N	360.655	6.736	50	40	FKGB	
CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccccc1	409006425	JFOLORMTAVEWFJ-MNDPQUGUSA-N	370.452	5.564	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)Nc3ccccc3C)c2C)cc1	6713603	RITJFCXIEHZDAQ-BUVRLJJBSA-N	374.488	5.121	50	40	FKGB	
CCCCC/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccccc1	12403668	HEGBQYYRHHIIRE-DARPEHSRSA-N	360.457	5.260	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C#N)c1	38534907	CHEBAUYPWAQMHK-HMAPJEAMSA-N	359.432	5.625	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1cccc(F)c1	409389506	BQZSBCWLDWWJDI-PTNGSMBKSA-N	368.205	5.912	50	40	FKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	4576214	LHGOKAGEHLCZGU-PXLXIMEGSA-N	353.421	5.364	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	6209484	LTBVHQBSVUMYCG-RCCKNPSSSA-N	368.436	5.120	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Cl	28515422	AYGUZHXOWLNCFE-ATVHPVEESA-N	372.859	5.688	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1	209491212	OXANOJMJVVKNBH-HYARGMPZSA-N	369.420	5.336	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl	408935366	DOMMATVWNJXMMM-IKTNTUJMSA-N	370.836	5.027	50	40	FKGB	
CC(C)(C)OC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	4602643	GQMNKUWEVATTFI-DJKKODMXSA-N	355.221	5.112	50	40	FKGB	
CCCCCCCCCCOc1ccc(C(=O)NN=C2CCCC2)cc1	33354508	OLRORJULMOMDME-UHFFFAOYSA-N	358.526	5.866	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl	408579845	KLJDNQGXOYTKOM-RIYZIHGNSA-N	366.675	6.500	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1	2885009	LCERUFQZZGLLLQ-GHRIWEEISA-N	355.279	5.359	50	40	FKGB	
CN(C)c1ccc(/C=C/C2=CC(=C(C#N)C#N)C=C(c3ccccc3)O2)cc1	16756502	LZIAKVYNAWVDBD-JLHYYAGUSA-N	365.436	5.065	50	40	FKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1O	44827352	MHHVVLQOWVQNMU-SXGWCWSVSA-N	362.454	5.205	50	40	FKGB	
N#C/C(=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccccn1	48237858	BCUQMHOFUJBRSM-ATVHPVEESA-N	359.816	5.051	50	40	FKGB	
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)Cl	142105702	JNCAWSNHLHBEIS-UHFFFAOYSA-N	360.966	6.557	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2)cc1	408598652	HGOFJVFEGBTOES-BKUYFWCQSA-N	359.856	6.292	50	40	FKGB	
C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	1454072	IUWVCFYKOLSVKV-SYBXUWECSA-N	361.228	5.255	50	40	FKGB	
Cc1cc(C)cc(OCC(=O)NN=C2CCCCCCCCCCC2)c1	5749795	WLVVTZIBSFNBKO-UHFFFAOYSA-N	358.526	5.459	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc4c(c3)OCO4)n2)cc1C	6478070	VUEFKIHFGDBQLU-IUXPMGMMSA-N	360.438	5.220	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)nc2c1	8690017	QFTJMDXQIISZOP-RVDMUPIBSA-N	370.368	5.104	50	40	FKGB	aggregator
N#C/C(=C/c1c2ccccc2cc2ccccc12)c1nc2ccc(F)cc2[nH]1	408565752	ABWYHLFGBBOXMQ-ATVHPVEESA-N	363.395	6.073	50	40	FKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc(C(C)(C)C)cc1	408719347	BYIVYWMQHMPLOL-PZBNQXIHSA-N	354.519	5.005	50	40	FKGB	
Cc1ccc(C(=O)N/N=C\c2c3ccccc3c(C)c3ccccc23)cc1	408996899	FJSVPVVPDHBRDL-MYYYXRDXSA-N	352.437	5.374	50	40	FKGB	
COC(=O)CCCCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl	2248328	ZMPQATHGYNANJN-LLVKDONJSA-N	352.129	5.648	50	40	FKGB	
Cc1cc(C)c(C(Cl)Cl)c(C)c1/C=N/Nc1ccc([N+](=O)[O-])cc1	5361615	GFKKNTPQPIQSDF-AWQFTUOYSA-N	366.248	5.442	50	40	FKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc(OCC)c1O	59303232	FTLVVKOMFUVFOT-DHDCSXOGSA-N	374.267	5.890	50	40	FKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(F)cc1	408691909	XRWCHJXCKFTHNL-PDGQHHTCSA-N	370.431	5.190	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1	408813606	YBBXBLSFRLWOOM-XMHGGMMESA-N	370.452	5.481	50	40	FKGB	
N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)cs1	4859718	KVNMGNZAEAFRGC-RAXLEYEMSA-N	372.280	6.093	50	40	FKGB	
C[C@@H]1CC2=C(OC(N)=C(C#N)[C@H]2c2cccs2)/C(=C/c2cccs2)C1	8783217	RWXBYBCQZYYKLX-CFADJXJYSA-N	366.511	5.385	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccn1	409234249	JONDJRJPUITIOH-WQRHYEAKSA-N	367.374	5.572	50	40	FKGB	
CCCCCCCCCCCC[C@@H](CBr)[n+]1ccccc1	100932122	RJRBSGXRANPXOY-IBGZPJMESA-N	355.384	6.221	50	40	FKGB	
CCC[Sn](CCC)(CCC)CCCBr	195752064	BEUNNJXTQUSPEV-UHFFFAOYSA-N	369.963	5.450	50	40	FKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)c1ccc2c(c1)OCO2	409366589	WSWLOBZXXXOERQ-WOJGMQOQSA-N	357.409	5.420	50	40	FKGB	
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](C=C[C@H]3Cl)[C@@]1(Cl)C2(Cl)Cl	1648335	FRCCEHPWNOQAEU-LCOJHDNXSA-N	373.321	5.242	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc4ccccc4[nH]3)n2)cc1	4539057	VSBIGALWWMHKET-LFIBNONCSA-N	357.438	5.364	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4s3)c2C)cc1	12559076	KQRCDSWFWQSJMP-CPNJWEJPSA-N	369.493	6.076	50	40	FKGB	
N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	13774684	WYHNFCRKXATNME-JLHYYAGUSA-N	372.280	6.093	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1	408581992	KRPYDJHOKVOEPW-KGENOOAVSA-N	371.436	5.347	50	40	FKGB	
Cc1ccsc1/C=C(\C#N)c1nc2ccc(C(F)(F)F)cc2s1	5753478	CZSKKUKAHRTDKY-UXBLZVDNSA-N	350.390	5.749	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(O)ccc3ccccc23)cc1Cl	408886958	KLVWHORKJYMPGJ-XNTDXEJSSA-N	362.816	5.053	50	40	FKGB	
Cc1ccc(S[C@@H](C)C(=O)NN=C2CCCCCCCCCCC2)cc1	409121659	VKZFOOHWDJLZPK-IBGZPJMESA-N	374.594	6.253	50	40	FKGB	
O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H](Cl)c1ccccc1	3269801	BLZPMFMEVCHTRJ-HNNXBMFYSA-N	364.804	5.007	50	40	FKGB	
N#C/C(=C/Nc1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cl)c1	57414145	IAWJDFKUCCYJDP-KTKRTIGZSA-N	366.635	5.105	50	40	FKGB	
CC1=C(C[C@H](O)/C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1	219788343	DHPJKUOAVLEIOW-GTVARFKMSA-N	352.635	6.232	50	40	FKGB	
Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCl	2293269	OFZNSTAZJNTEOB-UHFFFAOYSA-N	369.964	5.643	50	40	FKGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc(Br)cc1	15228811	AXZCGUBSUIHSPU-AQTBWJFISA-N	367.290	5.422	50	40	FKGB	
O=C(Cl)c1ccc2nc(-c3ccc(Br)cc3)sc2c1	73740450	LLRUJHXPXWYSRP-UHFFFAOYSA-N	352.640	5.105	50	40	FKGB	
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	100860046	ZLVKKRQADXAKLD-HKWRFOASSA-N	373.525	6.438	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl	409049563	WNCRUOXPNVGYFS-KPKJPENVSA-N	358.228	5.333	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)c1ccc([N+](=O)[O-])cc1	1977708	QJQWQBLODUIKOT-CPNJWEJPSA-N	374.371	5.377	50	40	FKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1c(Cl)cccc1Cl	651521	DQTAILKGJGQHKJ-KRWDZBQOSA-N	367.235	5.365	50	40	FKGB	
C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1	1454074	UQYNQTVJFFSTPH-LJROTCBLSA-N	361.228	5.255	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)OCO4)n2)c(C)c1	4785272	TXVQVISDIZSEFO-LZYBPNLTSA-N	360.438	5.220	50	40	FKGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)n1-c1ccccc1F	5570632	FMEOTMSOQDCVDU-ATVHPVEESA-N	362.379	5.162	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(F)c1	31895889	SMYUUICNOHCGSA-UVTDQMKNSA-N	366.779	5.285	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3ccc(Cl)cc3)nc2c1	107600974	VNNRXTZLVQXWPH-QINSGFPZSA-N	358.832	5.380	50	40	FKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccccc2)cs1	2231500	RDNNGLGUNYMANP-SDNWHVSQSA-N	369.396	5.388	50	40	FKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1O	13739363	BJDRGQBCMPMOLE-ZSOIEALJSA-N	368.845	5.242	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(-c4ccc(F)cc4)o3)[nH]c2cc1C	51139119	KCUDDQLTBMIGRH-WJDWOHSUSA-N	357.388	5.643	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)c1ccccc1	1453261	VJVRBIPMGGLQNW-FOWTUZBSSA-N	353.393	6.325	50	40	FKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl	2796073	XETUAYWUBJUGLP-FBCYGCLPSA-N	362.043	5.064	50	40	FKGB	
N#C/C(=C\c1c(O)ccc2ccccc12)c1ccc(Br)cc1	408580345	OQXJQHVJZDWPFO-RVDMUPIBSA-N	350.215	5.372	50	40	FKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)c2cccc(F)c2)c1C	409389509	BRPUUJNJHNTWHF-ODLFYWEKSA-N	364.851	6.259	50	40	FKGB	
CCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	2795793	NEFLBAWXHLIEQM-HAVVHWLPSA-N	352.478	5.076	50	40	FKGB	
N#C/C(=C\c1ccccc1Sc1ccccc1)C(=O)Nc1ccc(O)cc1	33525501	LZUZUIFGIQTGQN-SAPNQHFASA-N	372.449	5.089	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1	23203403	AZHXSKRKHNFTTE-UYRXBGFRSA-N	360.482	5.835	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cc1	59335424	BPBWPGCXNXJOFG-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
Cc1cc(NC(=O)CSC#N)cc2nc(-c3ccc(C(C)C)cc3)oc12	226328020	MGRWUPGPQWXVFZ-UHFFFAOYSA-N	365.458	5.079	50	40	FKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)Cn1cnc2ccccc21	408691603	HWIGYMLTNFXQIY-QGOAFFKASA-N	367.452	5.584	50	40	FKGB	
Cc1ccc(-n2nc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)c(C)c1	408994634	IFQAUHYMSMGVLO-PDGQHHTCSA-N	367.456	5.046	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)c1ccccc1F	6473798	FTTPAFLCXDFJBZ-MOSHPQCFSA-N	354.384	5.341	50	40	FKGB	
C=C(C)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1	20347538	KWJOGYILEXRUED-GOSISDBHSA-N	370.905	5.078	50	40	FKGB	
CC1=C(C#N)C(/C=C(\Cl)c2ccc(-c3ccccc3)cc2)C(C#N)=C(C)N1	35193644	KGJDMCBMQDGULK-FMCGGJTJSA-N	371.871	5.748	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	409190139	LGNVGXIUXAYCLL-CIAFOILYSA-N	370.861	5.157	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1cccc(F)c1	409394082	VIXKUSCRXDDHQD-UNOMPAQXSA-N	370.402	6.032	50	40	FKGB	
COC(=O)CCCCCCCC[C@H](Cl)CC(Cl)(Cl)Cl	2248327	ZMPQATHGYNANJN-NSHDSACASA-N	352.129	5.648	50	40	FKGB	
O=C1[C@H](Cl)N(c2ccc(Cl)cc2Cl)[C@@H]1c1c[nH]c2ccccc12	5594138	YDRUBTPXMIELJK-NVXWUHKLSA-N	365.647	5.170	50	40	FKGB	
CC(C)COc1cccc(-c2cc(C(=O)Cl)c3cc(Cl)ccc3n2)c1	5908069	OYWWRADBYDFBSX-UHFFFAOYSA-N	374.267	5.969	50	40	FKGB	
C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(Cl)c(Cl)c1	5923802	XONAVKUGHWEKJK-FSJBWODESA-N	372.255	5.004	50	40	FKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408813893	YVBOSQVIZRIYBK-UTEVDWOZSA-N	363.244	5.075	50	40	FKGB	
N#CC1=C(N)OC2=C(CCC/C2=C/c2cccs2)[C@H]1c1cccs1	1032144	BCDUJGCUCBHRLL-XSLBHYSZSA-N	352.484	5.139	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)c1C	1211843	XRMHSGZGUCYVOX-GHRIWEEISA-N	374.465	5.593	50	40	FKGB	
O=C(CCCCCCCCCCCl)OC[C@@H]1CCCN2CCCC[C@H]12	4029501	YCUXMNNTUDLRJN-VQTJNVASSA-N	371.993	5.544	50	40	FKGB	biogenic
CN(C)c1ccc([C@@H](Cl)[C@@H](Cl)C(=O)c2ccc(Cl)cc2)cc1	1685480	WMSSOOBBXJIYDA-HZPDHXFCSA-N	356.680	5.176	50	40	FKGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2ccccc2c1	5784981	XWXINPHWZOXCHJ-KOEQRZSOSA-N	374.484	5.057	50	40	FKGB	
Cc1ccc(-n2nc(C)c(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)cc1C	33248160	SKJWZJNBVCKCBH-PDGQHHTCSA-N	367.456	5.046	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c(C)c1	33318276	UACBRXVFECLFTO-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	211474594	RYARXWKNTDLZCT-AQTBWJFISA-N	356.425	5.011	50	40	FKGB	
Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)CSC#N	226328540	DEGSWBNRRKRZCS-UHFFFAOYSA-N	365.458	5.079	50	40	FKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)cc1)c1ccc(Cl)cc1	409191363	WNBFVMDBAXFGNT-HYARGMPZSA-N	366.873	5.255	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)cc1	2282044	VDCKRYGEGLOSNP-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
CCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1	5416620	CDRUUVHYVQWEFE-OBGWFSINSA-N	362.498	6.320	50	40	FKGB	
CC(C)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(F)cc2)cs1	100080669	XIOZKRNODFVUBL-VBKFSLOCSA-N	363.461	6.049	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	209376373	WGBUKVGCGSRIHG-VBKFSLOCSA-N	362.816	5.454	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)c(C)c1	408775384	GXODHQQPMJTRNA-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1cccc(C(F)(F)F)c1	408960215	JSPJARLMBCDZTC-AQTBWJFISA-N	356.391	5.760	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1	3885252	LFMKEGDIJBNAKP-OZHIUDEQSA-N	364.876	5.048	50	40	FKGB	
CCCCC/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	4015357	OMFCPORKYWPLSG-ZVHZXABRSA-N	374.569	5.602	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	408579875	KYTPBNRJCVNAHV-FYJGNVAPSA-N	359.856	6.292	50	40	FKGB	
Cc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccccc4)nn23)cc1	1775975589	JGKOAVLQDPYSOU-UHFFFAOYSA-N	369.255	5.243	50	40	FKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1	5749396	JOXFLKJNNBZGIX-FBCYGCLPSA-N	362.043	5.064	50	40	FKGB	
ClCCOc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1	504454610	UWRMGGWAVBMGAW-DQRAZIAOSA-N	369.291	6.460	50	40	FKGB	
Cc1cccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1	4174872	FLGBTIVMPPMATG-NVNXTCNLSA-N	371.292	6.490	50	40	FKGB	
Br[C@@H]1C2=C(c3ccccc31)[C@H](Br)c1ccccc12	104105784	RZKMCXMLBYMRQA-IYBDPMFKSA-N	362.064	5.497	50	40	FKGB	
N#C/C(=C/c1cccc(Br)c1)c1ccc(Br)cc1	408532807	RCNXVKMNWYZMKJ-JYRVWZFOSA-N	363.052	5.276	50	40	FKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	408887755	TTYSRQFBDUPHFW-GZTJUZNOSA-N	368.864	5.229	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCCC	409074291	PRKWWXPNFSYMPC-QGOAFFKASA-N	373.456	5.153	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	409186596	FIMMKMADUBLGIB-CIAFOILYSA-N	370.861	5.157	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2cccc(F)c2)cc1Br	2874428	XJVKPHPEGBTSNK-OQLLNIDSSA-N	358.210	5.217	50	40	FKGB	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1	4889424	WZTWKKZBWRGELO-NCFHPSMTSA-N	361.228	5.255	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)cc1	59335016	BLQOFFSWQSQUFS-QNGOZBTKSA-N	368.436	5.120	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCCCC3)cc2)cc1	948331	WAHQGCKAECVILR-LTGZKZEYSA-N	373.500	5.346	50	40	FKGB	
BrC/C(=N\N1CCCCCC1)c1ccc(-c2ccccc2)cc1	5052775	OEEPHNZCFPKIMI-LSDHQDQOSA-N	371.322	5.329	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1	5773727	LMWGOUIFNVGZAI-XMHGGMMESA-N	368.461	5.939	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1	13546709	QWDXIFPBGHJJQX-HMAPJEAMSA-N	358.460	6.421	50	40	FKGB	
C=C(C)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1	20347539	KWJOGYILEXRUED-SFHVURJKSA-N	370.905	5.078	50	40	FKGB	
O=C(Cl)c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1	217707346	YOFJTXNXGDUGSE-UHFFFAOYSA-N	350.028	5.605	50	40	FKGB	
CCCCc1ccc(-c2cc(NC(=O)CCl)n(-c3ccccc3)n2)cc1	3410461	VEZWLYCLSCMUJV-UHFFFAOYSA-N	367.880	5.059	50	40	FKGB	
N#C/C(=C\c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	4616062	DDJWNRSFYNGTRE-PXLXIMEGSA-N	364.473	6.541	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)cc1Cl	58822796	KPZNDYHWUQNFCJ-YBEGLDIGSA-N	364.788	5.881	50	40	FKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Cl	408588645	JFUCEUXGOLZMRP-YDZHTSKRSA-N	366.848	5.044	50	40	FKGB	
COc1cccc(C(=O)N/N=C/c2c3ccccc3c(C)c3ccccc23)c1	408727927	ZPDNPFVSIYUPAQ-MFKUBSTISA-N	368.436	5.074	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1C1CCCCC1	408739615	DDUUMEDCQOABEC-LPYMAVHISA-N	357.885	5.027	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1C1CCCC1	408773049	PDQSECBEWSWCDS-WQRHYEAKSA-N	369.306	6.047	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c2ccccc12	408788387	JUWSBIVAHMNTKA-XMHGGMMESA-N	370.452	5.401	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	409393635	RPJCOIFAZUPNJJ-STZFKDTASA-N	372.487	6.595	50	40	FKGB	
Cc1c(C(=O)CCCCCBr)sc2ccc(Cl)cc12	575362130	GGJXOCDLSKOYEB-UHFFFAOYSA-N	359.716	6.001	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccccc1	4507643	JYSBTDSCOKJLTM-FYJGNVAPSA-N	355.393	5.028	50	40	FKGB	
Cc1ccc2c(Cl)cc(Cl)c(O/C(=C/C#N)c3ccccc3)c2n1	6267856	DSCWIUWMIYCOLK-RQZCQDPDSA-N	355.224	5.794	50	40	FKGB	
CC/C(=N\NC(=O)CNc1cccc(C)c1)c1ccc(-c2ccccc2)cc1	14923865	ULJJIIKMZFBENS-WNAAXNPUSA-N	371.484	5.004	50	40	FKGB	
CC(C)(C)[Si](C)(C)Oc1cccc(O[Si](C)(C)C(C)(C)C)c1O	169807311	UJJGKOBSTIQFGH-UHFFFAOYSA-N	354.639	6.160	50	40	FKGB	
CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(CC)cc2)cs1	34782158	KRZTXODWZMYDPR-CPNJWEJPSA-N	360.482	5.835	50	40	FKGB	
ClC1=C[C@@H]2[C@H]3[C@@H]([C@H]([C@@H]1Cl)C21CC1)C1(CC1)[C@@H]1[C@@H]3C1(Cl)Cl	217358621	UCMPKRWKCHKHFK-RNMDWUPWSA-N	350.116	5.202	50	40	FKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1F	408876420	OVYABMCLINOYSV-GHRIWEEISA-N	374.415	5.312	50	40	FKGB	
COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)ccc1Cl	409366876	ZVTPVXVEGFTFFY-WJDWOHSUSA-N	363.800	5.451	50	40	FKGB	
CC(C)Oc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	659635	YIXKWUROGLLHEA-ZVHZXABRSA-N	372.424	5.137	50	40	FKGB	
ClCCSc1ccc(Oc2ccc(SCCCl)cc2)cc1	3013961	MSVMZHJMJQDVRS-UHFFFAOYSA-N	359.343	6.141	50	40	FKGB	
CC(=O)c1ccccc1/N=N\c1ccc(N(CCCl)CCCl)cc1	104184718	RKSBWLUFMVJUTD-DQRAZIAOSA-N	364.276	5.589	50	40	FKGB	
O=C(CBr)c1ccc(-c2c(Cl)cc(Cl)cc2Cl)o1	2144380	XJLBRMMTMYHKAS-UHFFFAOYSA-N	368.441	5.484	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)ccc3C)n2)c(C)c1	4063767	CAMYVJKHHGSKPU-LDADJPATSA-N	359.498	6.020	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3c(C)cc(C)cc3C)n2)c(C)c1	4063792	SQRCJEVTKSZYJX-XDHOZWIPSA-N	373.525	6.329	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	5792369	HLQSKCUQLOYKRJ-MDWZMJQESA-N	364.754	5.213	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)cc1	6168879	UWTBCOSXKDIOIM-FOWTUZBSSA-N	365.889	6.002	50	40	FKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C\c2cccc3ccccc23)cc1	17324030	OXOHYIKGEFMUSJ-NKFKGCMQSA-N	370.496	5.625	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Cl)cc1	33247458	KAVBJNWQMOWVTG-PTNGSMBKSA-N	373.761	6.683	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1	107647520	FGKGTDYUPQDHLM-ZHZULCJRSA-N	373.427	5.868	50	40	FKGB	
CCCCCCCc1ccc(C(=O)CCCCCBr)cc1	575357597	SBLIDWRLDAMGSD-UHFFFAOYSA-N	353.344	6.338	50	40	FKGB	
FC(F)(F)c1ccc(CBr)cc1C(F)(F)C(F)(F)F	642887065	INZCDIBVCWNLTF-UHFFFAOYSA-N	357.038	5.254	50	40	FKGB	
N#C/C(=C/Nc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1	57414148	TTXRTBWPSBYWEU-KTKRTIGZSA-N	366.635	5.105	50	40	FKGB	
O=C(CCCCCBr)c1cc2ccccc2c2ccccc12	575358828	GDGJDLSMJQIDLP-UHFFFAOYSA-N	355.275	6.131	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccc(F)cc2)ccc1OCc1ccccc1	3017785	UIEFYHCETIFRLW-DEDYPNTBSA-N	359.400	5.477	50	40	FKGB	
CCCC[P+](c1ccccc1C)(c1ccccc1C)c1ccccc1C	98174830	UBWLPZBEELGHGV-UHFFFAOYSA-N	361.489	5.706	50	40	FKGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc(Cl)cc1Cl	408961072	QTJXYIGEMFMPHV-WJDWOHSUSA-N	357.284	5.966	50	40	FKGB	
ClC[C@H](COc1ccccc1)S[C@H](CCl)COc1ccccc1	5684301	FRTLYGLFPURWBE-QZTJIDSGSA-N	371.329	5.092	50	40	FKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)c3cccc(Cl)c3)cc21	208455794	PSXUJSAJEHVWCF-GRSHGNNSSA-N	362.904	6.344	50	40	FKGB	
Cc1cccc(C(=O)N/N=C\c2c3ccccc3c(C)c3ccccc23)c1	408997551	HCQBYHYTVFZTBS-MYYYXRDXSA-N	352.437	5.374	50	40	FKGB	
N#CC(=C1CCCCC1)c1nc(-c2ccc(Br)cc2)cs1	4133383	RUELNPKPCSHVHG-UHFFFAOYSA-N	359.292	5.814	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(C#N)c1	408567394	MJAZMDWYLYAZIS-XNTDXEJSSA-N	365.219	6.189	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(F)cc3)cc2)cc1	409231319	BUXPHQOIGZOKMV-OEAKJJBVSA-N	364.445	5.049	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)cc1	2282786	QMOZGYCASNDEBX-QGOAFFKASA-N	359.498	6.219	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1cccc2ccccc12	6283532	CZZUCHADIIHBQI-RVDMUPIBSA-N	367.235	5.692	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccccc1	6961508	YKFZGINOFSNOGU-HZHRSRAPSA-N	369.464	6.037	50	40	FKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OCc1ccccc1)c1ccc(F)cc1	9324435	UQQHSTUNPGVZCR-XDHOZWIPSA-N	374.371	5.377	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cccc(F)c1	408548637	KDFIETIYOIWWSX-UCQKPKSFSA-N	366.439	6.451	50	40	FKGB	
Cc1ccc(C(=O)[C@H](Cl)[C@@H](NC2CCCCC2)c2ccccc2)cc1	1690384	LGGVEHNTZPZMCA-RTWAWAEBSA-N	355.909	5.449	50	40	FKGB	
Cc1ccsc1/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	4175177	MYFPXDGXOMJJMO-WOJGMQOQSA-N	364.539	6.443	50	40	FKGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1	108081593	YLLXIPMGIZPMNC-ZHZULCJRSA-N	365.392	5.603	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccc(F)cc2[nH]1	408567341	LWWSJNJQEAMYIY-PDGQHHTCSA-N	369.399	5.345	50	40	FKGB	
CN(C)c1ccc(/C=C(/C#N)c2cccc(Cl)c2)cc1Br	408599247	QUNJZNVJNHHVKN-ZSOIEALJSA-N	361.670	5.233	50	40	FKGB	
Cc1cc(C)c([C@H](Br)[C@H](O)c2c(C)cc(C)cc2C)c(C)c1	5538593	YAIQODWEFBYQDY-VQTJNVASSA-N	361.323	5.707	50	40	FKGB	
COc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl	408581255	VMTAIRWWFDMKTM-ONNFQVAWSA-N	373.066	6.373	50	40	FKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2o1	409043383	FCCMFFNIJNIZLA-KPKJPENVSA-N	359.212	5.597	50	40	FKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409392456	MRBYRJYMAINEAV-NVNXTCNLSA-N	360.226	5.440	50	40	FKGB	
Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCl	828385	FFKOLLHYAPHBOE-UHFFFAOYSA-N	355.937	5.335	50	40	FKGB	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	2669708	XVMIXRYOOCXGIL-LQELWAHVSA-N	363.335	5.214	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(C#N)cc1	2881050	CPERESBXILHAAL-GZTJUZNOSA-N	364.326	5.901	50	40	FKGB	
O=C/C(=C1/C=CC(c2ccccc2)=C(c2ccccc2)S1)c1ccccc1	16477941	DLTVUGVHNLHHKZ-WCWDXBQESA-N	366.485	6.468	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2C(C)=CC1(C)C	208502268	KOROYHTTZAIUAP-UYRXBGFRSA-N	371.484	5.254	50	40	FKGB	
O=C(CCl)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31	824064	VERXHDYUFFPRGY-HXUWFJFHSA-N	370.924	5.147	50	40	FKGB	
CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C	12600998	MQZJCTNYYLIARL-UHFFFAOYSA-N	369.559	6.175	50	40	FKGB	
Br[C@@H]1c2ccccc2-c2ccc(/N=C/C=C/c3ccccc3)cc21	17314904	OATIBKVAMJLUTM-FJYJUSNISA-N	374.281	6.567	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccc1F	33671426	RAAZKUYJBQCAFJ-QBFSEMIESA-N	355.821	6.287	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)c1nc3ccccc3[nH]1)[C@H](C)CC(C)(C)N2C	208235835	GIKFSXMNCFTSKQ-CJMVGXJBSA-N	370.500	5.658	50	40	FKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)c1cccc2ccccc12	6496591	ZIKPNPFENSHQNQ-XLNRJJMWSA-N	355.440	7.210	50	40	FKGB	
CC1=C(C#N)C(c2cc(C3CCCCC3)cc(Cl)c2O)C(C#N)=C(C)N1	19681234	QPVMSCSYJATAJP-UHFFFAOYSA-N	367.880	5.375	50	40	FKGB	
Cl[C@]1(Br)c2ccccc2[C@@H](Br)[C@H]2C=CC=C[C@@H]21	49625272	ZQASRTHFLYVJSG-RETIQXCHSA-N	374.503	5.281	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc2ccccc2c1	16157354	KAOKJFRVCQUBJC-SXGWCWSVSA-N	367.235	5.692	50	40	FKGB	
CCCCCCCC/C=C/CCCCCCCCNC(=O)NCCCl	104147437	CUGAVRCBULMRIZ-MDZDMXLPSA-N	373.025	6.562	50	40	FKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc(Cl)c3)sc2c1	108782906	ITJYMFSGWBWSLZ-UKWGHVSLSA-N	363.269	5.280	50	40	FKGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccc(Br)cc1	408526154	AOYYOGPBQAGMPY-GHXNOFRVSA-N	363.598	5.075	50	40	FKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	33347384	XKXDKEKZVYRSBR-JJFYIABZSA-N	373.239	5.326	50	40	FKGB	
C#CCn1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21	33607877	CMXYMKXBEDKWSP-FOWTUZBSSA-N	371.490	5.541	50	40	FKGB	
CCc1cc(-c2ccc(/C=C/C(=O)Cl)o2)cc(C)c1Br	45889530	XNZQRJCDSKLQRJ-FNORWQNLSA-N	353.643	5.359	50	40	FKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/C#N)CC[C@H]4[C@@H]3CC[C@@H]2C1	118927626	NBLNYSBYNKNUGO-WFLODTMXSA-N	355.522	5.411	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)c1ccc(Cl)cc1	408580617	PZHZZDIYQWSXNV-CPNJWEJPSA-N	363.819	6.122	50	40	FKGB	
O=C(NNc1c2ccccc2nc2ccccc12)C12CC3CC(CC(C3)C1)C2	3892265	UZWYUGMPNWKWFC-UHFFFAOYSA-N	371.484	5.048	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2ccccc2c1	408549189	QNLCSPPGOJEAIB-XSFVSMFZSA-N	366.376	6.072	50	40	FKGB	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1sc2ccccc2c1Cl	816652	XHVFXKYTIWDIKT-UHFFFAOYSA-N	358.894	5.097	50	40	FKGB	
Cc1cc(OCc2ccc(C(=O)NN=C3CCCCC3)cc2)ccc1Cl	5784019	QAWFWMCGRCQNHO-UHFFFAOYSA-N	370.880	5.277	50	40	FKGB	
COc1ccc2c(Cl)c(C(=O)NN=C3CCCCCC3)sc2c1	5788238	MPJJEKKADSQTCW-UHFFFAOYSA-N	350.871	5.003	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1C	6968413	LVTKZRAFJABVTF-BKUYFWCQSA-N	371.440	5.683	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)o1	33776323	MVEPLVCJHHFWFP-GDNBJRDFSA-N	364.788	5.881	50	40	FKGB	
N#C/C(=C/Nc1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)cs1	96024167	AXUOAJLEGPVLDX-RAXLEYEMSA-N	355.825	5.579	50	40	FKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2)cc1	408540296	PRXHXCQIFZKTAN-NKFKGCMQSA-N	352.478	5.190	50	40	FKGB	
COc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c2ccccc12	408541315	AGVMQUGVFNZSKZ-SFQUDFHCSA-N	353.425	5.406	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1C	408569953	RFQQWLGAPZQQTR-WJDWOHSUSA-N	356.404	5.174	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Cl)cc1	408580449	PQULMXHWQKDUQG-XDHOZWIPSA-N	363.819	6.122	50	40	FKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)n1	409377641	JPCIQPZPZCEWSK-CPNJWEJPSA-N	351.409	5.054	50	40	FKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)C=C[C@H]3[C@@]1(Cl)C2(Cl)Cl	30728371	FRCCEHPWNOQAEU-UVVTUAMRSA-N	373.321	5.242	50	40	FKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3ccc(F)cc3)c2c1	408785911	JQSIHGJCIXQYKS-AQTBWJFISA-N	361.416	5.840	50	40	FKGB	
COc1cccc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c1OC(C)C	409020877	UZRZAQGDRILEPC-ZROIWOOFSA-N	362.256	5.853	50	40	FKGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)o1	4175147	LXZIWNXEANUHCB-WDZFZDKYSA-N	361.253	6.083	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl	4681552	XVPBVUHMQMYMTP-SFQUDFHCSA-N	353.849	5.441	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(OCCC(C)C)cc1	5520411	GXIITBDWTAEAQS-XMHGGMMESA-N	372.468	5.691	50	40	FKGB	
Cc1nc2ccccn2c1C(=O)NN=C1CCCCCCCCCCC1	5401491	FIXMPGNHLQIGEB-UHFFFAOYSA-N	354.498	5.033	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(C)C)cc3)n2)cc1	100839841	FCGWTJXJINVBEU-ZHZULCJRSA-N	373.525	6.472	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C#N)cc1	409367626	BVCAEBNKLDEUJC-BKUYFWCQSA-N	370.839	5.855	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1	33879691	LFMKEGDIJBNAKP-ZZIVKNFNSA-N	364.876	5.048	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c2ccccc12	408782315	GYAHBZIYLGFZDE-RGEXLXHISA-N	370.452	5.401	50	40	FKGB	
COc1cccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1OC	14094426	RUJGLNGBVMHLSV-XNTDXEJSSA-N	366.417	5.031	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1	16678180	OOONRJPGQZXAQI-QGOAFFKASA-N	374.488	5.260	50	40	FKGB	
BrCc1ccc2oc(-c3cccc(Br)c3)nc2c1	216796354	UGCPIBULHIRZOR-UHFFFAOYSA-N	367.040	5.152	50	40	FKGB	
N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)Nc1cccc2ccccc12	408761287	DSMZAVKJNILCNV-RCCKNPSSSA-N	374.443	5.637	50	40	FKGB	
Cc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)c1	1095550	BAUBQICJKBSRQM-ZROIWOOFSA-N	359.256	5.464	50	40	FKGB	
N#CC(C#N)=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1	4738519	WHAQVSRUZDVJMW-UHFFFAOYSA-N	365.639	5.277	50	40	FKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1	4814095	PFYTZQYCNXRQSL-OYKKKHCWSA-N	358.828	5.410	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])n2)cc1C	6478087	TUYLYVKZIHXVSZ-YVLHZVERSA-N	361.426	5.399	50	40	FKGB	
CCOC(=O)[C@@H](Cl)c1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-]	108618899	QRMMCYFBZIKSSL-VIFPVBQESA-N	369.695	5.095	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc12	408568875	XFSWAZRKDZCGEX-PTNGSMBKSA-N	357.388	5.318	50	40	FKGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	39383881	SYWXACXGYUWPSF-YBFXNURJSA-N	374.465	5.278	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1OC	408579725	JUGKQAWVKAYAEH-CPNJWEJPSA-N	373.452	5.708	50	40	FKGB	
N#C/C(=C/c1ccc(O)c(Br)c1)c1ccc(Cl)c(Cl)c1	408588270	VKHQDFLWAYJRKB-WZUFQYTHSA-N	369.045	5.526	50	40	FKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	409040315	GHMJBTNZUJPPLR-MDWZMJQESA-N	370.239	5.499	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccccc1	409393805	SHEHNXJHSBWWIM-BKUYFWCQSA-N	373.427	5.868	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccccc1	716881	YPYHALLCRMOGFZ-SRZZPIQSSA-N	374.227	5.409	50	40	FKGB	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	2669686	YHKCDWLRIAYUEN-OYGDSYQHSA-N	364.228	5.502	50	40	FKGB	
BrCCOC(c1ccccc1)(c1ccccc1)c1ccccc1	141073188	CHQAQRIPXQLTME-UHFFFAOYSA-N	367.286	5.390	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)cc1	2669489	AYAICADAQURTQD-RAXLEYEMSA-N	374.654	6.971	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)ccc1O	12862620	QFYRFXWDYUOPPU-KPKJPENVSA-N	356.834	5.118	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(F)c3)n2)c1	13648127	MHVWWYIZDPQCHC-RAXLEYEMSA-N	369.396	5.073	50	40	FKGB	
Cc1cccc(C(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	83327497	SHSZJAFTBQJIIQ-OYKKKHCWSA-N	366.505	5.060	50	40	FKGB	
N#C/C(=C/c1ccccc1Cl)c1ccc(I)cc1	409367717	JENXLKKJGWOEGI-LCYFTJDESA-N	365.601	5.009	50	40	FKGB	
C[C@@H]1CCC/C(=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)C1	859190	LIDOIILJKUMCQF-UDIPDBSGSA-N	362.454	5.404	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1	3885251	LFMKEGDIJBNAKP-PPYITQJXSA-N	364.876	5.048	50	40	FKGB	
N#C/C(=C\c1cccs1)c1nc(-c2cc3ccccc3oc2=O)cs1	3995802	QNSRDOZUVVDZSF-MDWZMJQESA-N	362.435	5.042	50	40	FKGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)C)cc2)cc(Cl)c1O	13097589	KDZSSJNJWVSVSP-RQZCQDPDSA-N	369.848	5.358	50	40	FKGB	
CC[C@H](C)n1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21	409230593	ZVFZMPVYECRTMT-UJPOMEIBSA-N	371.484	5.397	50	40	FKGB	
O=C(Nc1ccc(N=C=S)cc1Cl)c1ccc2ccccc2c1O	1562738	KCFHCMVMIBEPIJ-UHFFFAOYSA-N	354.818	5.185	50	40	FKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccco2)cc1	8386199	KYTQEXFJAZBWCP-PTGBLXJZSA-N	370.493	5.563	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\C1=Cc2cc(Cl)ccc2OC1	58411460	VWAVDVMJEJHIEX-SXGWCWSVSA-N	374.827	5.238	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)o2)cc1	59335546	GRMQFKLYZLTILF-UYRXBGFRSA-N	370.408	5.003	50	40	FKGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)c2cccc(F)c2)cc1OCC	409394072	VFIVQLSWBGCIIL-MOSHPQCFSA-N	361.416	5.029	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc(C2CC2)cs1	33924721	UWZWJCDQDXEDPO-UNOMPAQXSA-N	358.466	5.664	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3ccc(C)c(Cl)c3)[nH]c2c1	34702625	MZEGHDVRXOBRSS-WJDWOHSUSA-N	372.859	5.688	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)c1ccccc1	59399083	NQBTUZKPDIMRNJ-ZHZULCJRSA-N	373.839	5.709	50	40	FKGB	
Cc1cc([N+](=O)[O-])c(C)cc1SSc1cc(C)c([N+](=O)[O-])cc1C	3067790	VIDNWVXHFGOIGX-UHFFFAOYSA-N	364.448	5.536	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Cl	8197699	FSOANDUOWSJBGU-IXGURIBZSA-N	361.872	6.735	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(F)cc1	33683799	SKHAHKSWWKQYSL-ATVHPVEESA-N	356.404	5.174	50	40	FKGB	
Cl[C@]1(Br)c2ccccc2[C@@H](Br)[C@H]2C=CC=C[C@H]21	170621324	ZQASRTHFLYVJSG-HYKPAMGXSA-N	374.503	5.281	50	40	FKGB	
Cc1cc(C=C(C#N)C#N)cc(C)c1OCc1ccc(Cl)cc1Cl	408850063	FCWXTLIXUZJYAA-UHFFFAOYSA-N	357.240	5.620	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1	941995	UKNSTWZBSVZKQY-QGOAFFKASA-N	362.473	5.488	50	40	FKGB	
O=C(c1ccc2c3c(cccc13)CC2)[C@@H](Br)c1ccccc1	3844987	RRDMJZWHYUVDLI-IBGZPJMESA-N	351.243	5.257	50	40	FKGB	biogenic
COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4o3)cs2)ccc1O	5602179	PMOGHGXBOZSNIT-OVCLIPMQSA-N	374.421	5.335	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	33772112	KIRKQZGAPXWWMP-HKWRFOASSA-N	365.392	5.603	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1F	34882563	YLTXKUQROBGZLV-KAMYIIQDSA-N	357.306	6.169	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1	59137660	RULUBNQPFDYOPH-PTNGSMBKSA-N	368.205	5.912	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)cc1	59137812	IXKRZJBDXXMIQE-VBKFSLOCSA-N	351.858	6.457	50	40	FKGB	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F	96121218	KJSCPYURPDIADC-ILYHAJGMSA-N	356.347	5.197	50	40	FKGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)c1sc2cc(Cl)ccc2c1Cl	101121988	UMJXUHFQIOWMBT-UKDQKFGXSA-N	367.301	5.360	50	40	FKGB	
ClCCN(CCCl)Cc1ccc2ccc3cccc4ccc1c2c34	1718565	ZTZVWAJUPXXFFT-UHFFFAOYSA-N	356.296	5.864	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\c3cccc(OC)c3)n2)cc1	6355336	HQASIWUTCGFSGJ-BOPFTXTBSA-N	362.454	5.282	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)cc1	8618218	NWTPZGRYSLVFQE-CPNJWEJPSA-N	359.498	6.219	50	40	FKGB	
Clc1ccc(-c2nc3cc(CBr)ccc3o2)cc1Cl	226317931	IBEKBTTYGCQJTN-UHFFFAOYSA-N	357.034	5.697	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccc(F)c1	409391170	HTKTZKMKZVHTJD-NTEUORMPSA-N	367.763	5.501	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3C)n2)c1	4063763	ATQJTTSXAXJCIP-SFQUDFHCSA-N	361.470	5.412	50	40	FKGB	
BrC/C(=N/N1CCCCCC1)c1ccc(-c2ccccc2)cc1	8628626	OEEPHNZCFPKIMI-XDOYNYLZSA-N	371.322	5.329	50	40	FKGB	
CCCCCCCCCCCCCCCC[N+](C)(C)CC#CCCl	95858839	KFRDMULBEMHUGZ-UHFFFAOYSA-N	357.046	6.786	50	40	FKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)c1cccc(F)c1	409391699	JNRQPAKOAVZDGE-WCIBSUBMSA-N	352.590	5.011	50	40	FKGB	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1c(Cl)cccc1Cl	630781	REKUJRBFJCMPFY-GOSISDBHSA-N	367.235	5.365	50	40	FKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1c(Cl)cccc1Cl	651522	DQTAILKGJGQHKJ-QGZVFWFLSA-N	367.235	5.365	50	40	FKGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cccc2ccccc12	6283527	KCSOVOMZEWYOFR-SDNWHVSQSA-N	350.780	5.178	50	40	FKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)cc1	6934977	PDFVPFXUSADXTG-ZHZULCJRSA-N	360.432	5.696	50	40	FKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccccc3)cc2)c1	15227619	JVCXCMUEDGTEID-QNGOZBTKSA-N	368.436	5.077	50	40	FKGB	
CCCCCC(/C=N\NC(=O)c1cccc2ccccc12)=C/c1ccccc1	31672161	XCJOWVJSYBNYQX-KMDOOKQSSA-N	370.496	6.219	50	40	FKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	59116766	VJHDCUKEKAARLQ-OBGWFSINSA-N	366.436	5.330	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	209403344	FAQTXFJWXWBUFA-KGENOOAVSA-N	359.856	6.292	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Cl)cc1OC	408552048	ROVXWIVCONFZFE-ODLFYWEKSA-N	363.844	5.965	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccccc1F	408568489	JTLCCDJWKWZAEG-YBEGLDIGSA-N	374.394	5.313	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl	408809467	RSDJALSQBLYXMM-SFQUDFHCSA-N	368.864	5.237	50	40	FKGB	
O=C(NN=C1CCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	5205574	MHZPETKSLZHYEA-UHFFFAOYSA-N	358.894	5.292	50	40	FKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	17474831	LLCBXTGFFZSHLR-LICLKQGHSA-N	362.454	5.200	50	40	FKGB	
N#C/C(=C/Nc1cc(Cl)ccc1Cl)C(=O)Nc1cccc(Cl)c1	57414149	OMNASMLACBVGKB-KTKRTIGZSA-N	366.635	5.105	50	40	FKGB	
Cl[C@]1(c2ccccc2)OP(Cl)(Cl)(Cl)Oc2ccccc21	104387632	SQSPVGJYJMUTSJ-CYBMUJFWSA-N	369.999	6.380	50	40	FKGB	
N#C/C(=C/c1ccsc1)c1nc(C(c2ccccc2)c2ccccc2)no1	96884109	JZGABCHUFZYUMI-UYRXBGFRSA-N	369.449	5.375	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc2ccccc12	408748318	BTTNGRPETBTCIA-ZVHZXABRSA-N	374.827	5.517	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1	4067465	HBMBGLIFHPYJBS-XSFVSMFZSA-N	365.436	5.515	50	40	FKGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc2ccccc2c1	5362759	LOGWQXYRNQYARX-XIEYBQDHSA-N	374.484	5.191	50	40	FKGB	
CC[C@H](Nc1cccc2ccccc12)C(=O)N/N=C(C)\C=C\c1ccccc1	15930458	COGKFFWRYJNQPD-DZZQPRPPSA-N	371.484	5.236	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3s2)c(C)n1-c1cccc(F)c1	35332007	JKGSXNQEKBIBJY-BOPFTXTBSA-N	373.456	5.907	50	40	FKGB	
CCCCCCCCCCCC(=O)N/N=C(/C)c1cccc2ccccc12	104164052	USRJHASCIQJQAP-QQTULTPQSA-N	366.549	6.601	50	40	FKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)cc1	409372924	SIVRIULXZCGLLD-MOSHPQCFSA-N	368.392	5.059	50	40	FKGB	
CCc1ccc(/C(C)=N/NC(=O)c2sc3ccccc3c2Cl)s1	695589	SJSYHMMYHLNBNM-VXLYETTFSA-N	362.907	5.333	50	40	FKGB	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)o1	4935208	UQYNQTVJFFSTPH-NCFHPSMTSA-N	361.228	5.255	50	40	FKGB	
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc(C2CCCCC2)cc1	17074310	XDQVGZCHPZGOBG-JPRVSBAYSA-N	360.501	5.378	50	40	FKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1	842722	OQOXNVBMUKERDY-NRFANRHFSA-N	354.453	5.355	50	40	FKGB	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	4887427	IUWVCFYKOLSVKV-PFVNGKLPSA-N	361.228	5.255	50	40	FKGB	
N#C/C(=C/c1ccco1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1	98054563	UORHHKRAWHAISQ-QINSGFPZSA-N	371.421	5.102	50	40	FKGB	
O=[P@](Cl)(OCC(Cl)(Cl)Cl)Oc1ccccc1Cl	100367002	ORLCYMQZIPSODD-QGZVFWFLSA-N	358.372	5.453	50	40	FKGB	
CCCCC[C@@H](C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104190512	FQAYIDSGHXGFPM-JOCHJYFZSA-N	362.497	5.682	50	40	FKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ncccc23)cc1	5521299	VZUCTTNZTFQPSP-SAPNQHFASA-N	355.441	5.078	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc([N+](=O)[O-])cc1	6221895	YGCVRQPSNHBMQU-PTNGSMBKSA-N	350.761	5.572	50	40	FKGB	
CCOc1cc(Cl)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	6958540	BLJZOLTWMOPSFK-DHDCSXOGSA-N	372.808	5.110	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(C)c(F)c3)n2)c1	13659069	WIVCOXGKFWAAGO-PTNGSMBKSA-N	365.433	5.243	50	40	FKGB	
Cc1cccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)c1	59399093	QBEYXQQRTISFNJ-RCCKNPSSSA-N	367.404	5.004	50	40	FKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc21	208202461	MNUFEEUPHVWVTN-GZQZNAIASA-N	350.893	6.126	50	40	FKGB	
Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccccc1	409391936	KJABQRYRQSPKAK-QNGOZBTKSA-N	366.439	6.201	50	40	FKGB	
Cc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	4063624	CFWSFIRZRCUMGH-XSFVSMFZSA-N	373.525	6.294	50	40	FKGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(-c2ccc(F)cc2F)o1	13139291	FYDLMUQEIBJKOB-UVTDQMKNSA-N	367.288	5.355	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1ccc([N+](=O)[O-])cc1	33347204	NGJVQRBWOAKREZ-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc([N+](=O)[O-])c1	33525457	KTUMKCNJTVPIOO-PTNGSMBKSA-N	350.761	5.572	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1	408783742	QGTGIUCOFZQLRQ-WQRHYEAKSA-N	350.824	5.951	50	40	FKGB	
O=C(CCCCCBr)c1ccc(C(F)(F)F)cc1Cl	575361587	UHDCVSCKSQSLCW-UHFFFAOYSA-N	357.597	5.497	50	40	FKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)o1	4010250	HCQFZAIYKRZWLM-DEDYPNTBSA-N	368.461	6.443	50	40	FKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)c1	4032026	HLAJKFPBDHKWIC-QGOAFFKASA-N	372.424	5.199	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc(Cl)c(Cl)c1	408589257	ZOTBZPFPFSOZDL-DHDCSXOGSA-N	365.219	6.189	50	40	FKGB	
COc1cc(C(=O)CCCCCBr)c(Cl)cc1Cl	575361584	UCJJTKINCDLEGZ-UHFFFAOYSA-N	354.071	5.140	50	40	FKGB	
N#C/C=C/c1ccc(OCc2ccc3ccccc3c2)c(Br)c1	6536883	YWNOBDRNXADUMW-ONEGZZNKSA-N	364.242	5.718	50	40	FKGB	
COc1ccccc1/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	44827361	LIHLVCIMUIUDKU-DEDYPNTBSA-N	374.509	6.081	50	40	FKGB	
Cc1ccc2cc(/C=C(/C#N)c3nc(C)cs3)c(N3CCCCC3)nc2c1	96843836	QIPLULCCUHOLDY-UNOMPAQXSA-N	374.513	5.363	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br	408549453	TVZVNPBZTARXCF-ZDLGFXPLSA-N	364.242	5.675	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)c1ccc(Cl)cc1	408579739	JWVOMALNEYDRAF-XDHOZWIPSA-N	363.819	6.122	50	40	FKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)Cn1cnc2ccccc21	408691613	ILUZKTUUBHUQGU-AQTBWJFISA-N	359.432	5.950	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccccc1C#N	408741213	KQXMBOUUQPTSMD-LPYMAVHISA-N	366.420	5.210	50	40	FKGB	
CC(=O)c1ccccc1/N=N/c1ccc(N(CCCl)CCCl)cc1	4773901	RKSBWLUFMVJUTD-QURGRASLSA-N	364.276	5.589	50	40	FKGB	
C/C(=N/NC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1cccnc1	104258370	XPCDAMNNRAFTPD-VWTBIULUSA-N	358.405	5.043	50	40	FKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccccc2)c1C	408962213	XJXVRABHRUFOSI-IWIPYMOSSA-N	374.488	5.121	50	40	FKGB	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	409229456	PGYBBYBITPOXBA-YFHOEESVSA-N	368.717	5.044	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)c1ccc([N+](=O)[O-])cc1	1185405	IYVHRCBBPBSSDT-CPNJWEJPSA-N	374.371	5.377	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	15223234	SSLSTOMJSCPUSQ-XFFZJAGNSA-N	351.620	5.192	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Cl)c1O	169954479	IFPBULZNZSSALY-AUWJEWJLSA-N	367.836	5.002	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	408738497	ZVWZUROXJRACIX-PDGQHHTCSA-N	350.824	5.951	50	40	FKGB	
CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)CCCCl)c3)nc2c1	6449729	XYGQDSQALWBEID-AWEZNQCLSA-N	370.880	5.966	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(C)cc1	209482487	UGKZJILUZGJTPS-OEAKJJBVSA-N	369.464	5.955	50	40	FKGB	
CC(C)N1c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc2[C@@H](C)CC1(C)C	223548579	CZNDBXCRXKKDNM-BRLDDBHUSA-N	362.492	6.390	50	40	FKGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3ccc(C(C)(C)C)cc3)oc12	226327858	AHFZRVHIYLIZNM-UHFFFAOYSA-N	356.853	5.278	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc2ccccc2c1	409394043	UUQBFPNSIHFPIG-QRVIBDJDSA-N	366.439	6.451	50	40	FKGB	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	1453355	QXABCIHPNRUENJ-YRNVUSSQSA-N	350.201	5.112	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CCSc1ccccc1	4502870	CVLYDLOPLHHNJF-OQKWZONESA-N	354.519	5.029	50	40	FKGB	
CC(C)n1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c2ccccc21	4739166	GGFLALOYHJSEKC-BHGWPJFGSA-N	373.378	5.005	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)c(F)c3)n2)cc1	100949809	YBPHCNUHADAHIU-PTNGSMBKSA-N	365.433	5.243	50	40	FKGB	
N#C/C(=C/c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc(Cl)cc1	408751677	BJZVQPRWTCFOOA-ATVHPVEESA-N	358.828	5.137	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)c(C)c1	408810201	PCTZBRNYBKQPAO-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1CC	408875058	CEBBUWQPSZPTJG-SFQUDFHCSA-N	366.848	5.013	50	40	FKGB	
Cc1cc(C)c([C@H](O)[C@H](Br)c2c(C)cc(C)cc2C)c(C)c1	5538570	YAIQODWEFBYQDY-UXHICEINSA-N	361.323	5.707	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)c1cccc([N+](=O)[O-])c1	33546515	AHAVUOJJYCGMIM-ODLFYWEKSA-N	374.371	5.377	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1cccc(Br)c1	82107528	MKFKLMHQKRMDDX-ZROIWOOFSA-N	365.230	5.029	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)c1c[nH]c2ccccc12	4483162	VDJKOIGBNCLFMQ-RVDMUPIBSA-N	356.356	5.357	50	40	FKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(F)F)cc2)cc1	6481255	LIFZUJBEYWKROI-LGMDPLHJSA-N	370.399	5.176	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc(C#N)c1	33562415	OBBVCYYNULYIMP-MTJSOVHGSA-N	370.839	5.855	50	40	FKGB	
BrCCCC(c1ccccc1)(c1ccccc1)c1ccccc1	105019059	GISVRARSKZEERH-UHFFFAOYSA-N	365.314	6.196	50	40	FKGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	408896414	NKNMMTNECLVYNO-XSFVSMFZSA-N	370.452	5.420	50	40	FKGB	
CCCc1ccc(-c2ccc(C(=O)CCCCBr)cc2)cc1	575358830	GHRDFXRGDZDLBU-UHFFFAOYSA-N	359.307	6.054	50	40	FKGB	
O=C(Cl)c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	218720797	JEFFJOBDGNVWBC-UHFFFAOYSA-N	350.028	5.605	50	40	FKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1	408988906	SBXTXTWOPYCXDI-ATVHPVEESA-N	367.880	5.040	50	40	FKGB	
O=C(NN=C1CCCCCC1)c1cc(-c2cccs2)nc2ccccc12	5602716	CFHTZOIVMGMYOB-UHFFFAOYSA-N	363.486	5.403	50	40	FKGB	
Cc1ccccc1N/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	5752720	BLKOPDRKPMDNAC-PTNGSMBKSA-N	362.414	5.003	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3cccc4ccccc34)o2)cc1	6477509	GZBCKGURPOTLIS-XDJHFCHBSA-N	367.473	6.957	50	40	FKGB	
C[C@H](Br)C12CC3(Br)C[C@](C)(C1)C[C@](C)(C3)C2	100477946	FYBHVDNBMAEARY-RXIZQEFBSA-N	350.138	5.284	50	40	FKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(C)cc1	408539013	DLJWJTALMIFXAZ-HAHDFKILSA-N	372.896	5.371	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408579362	GFQQGRVHIBJQDC-NTEUORMPSA-N	362.256	5.855	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1	408975597	NQTSTBINDSBBNX-SRZZPIQSSA-N	374.227	5.409	50	40	FKGB	
COc1cccc(/C=C(/C#N)c2ccc(Br)cc2)c1OC(C)C	409010879	FZYLVNASNKSQCZ-WJDWOHSUSA-N	372.262	5.309	50	40	FKGB	
CCCCC/C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccccc1	4523867	NQDQUMPXVKSBQQ-NMWGTECJSA-N	372.896	5.128	50	40	FKGB	
CCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	97965566	CHCRALGRFWUQRV-HKOYGPOVSA-N	366.505	5.466	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc2ccccc2c1	408548252	FEXYWRVCZKKTRW-XMHGGMMESA-N	366.376	6.072	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)c(C)c1	408804514	XZMBHURDVZSBAL-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
COc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1OCc1ccccc1	96309348	OWYCCGOXTGONBP-XDHOZWIPSA-N	363.457	5.186	50	40	FKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1C1CCCCC1	408820538	WWDRHWCOUDRVTI-AQTBWJFISA-N	365.452	5.295	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C	408968743	YORAVAAEXPADOC-BKUYFWCQSA-N	360.888	6.374	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)cc1Cl	409012384	JRRWYPHETLACLH-QZDMBBGESA-N	373.884	5.290	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccccc1	409364231	NRNCIOGVGDUXSA-ZHZULCJRSA-N	356.381	5.238	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(OC)c1OC	8109924	QOFONOZQFHHQKD-XSFVSMFZSA-N	355.437	5.650	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408582971	QDETTXFPMGQRFN-MHWRWJLKSA-N	357.837	5.210	50	40	FKGB	
Cc1ccc(SCCC(=O)NN=C2CCCCCCCCCCC2)cc1	409133470	MPEARTNLDVGTBH-UHFFFAOYSA-N	374.594	6.254	50	40	FKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1cccc2ccccc12	1103107	NPBVMSRROVUXMV-LJQANCHMSA-N	354.434	5.273	50	40	FKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)c1nc(-c2ccccc2)cs1	4292813	FVTNGVPGRJZNKU-UKTHLTGXSA-N	357.265	6.181	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(F)cc3)n2)cc1	6595839	ZKFJXFGALXJYOU-LFIBNONCSA-N	350.418	5.412	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccccc1	15013552	CRWZLYOECPDECL-STZFKDTASA-N	355.393	5.028	50	40	FKGB	
O=C(Cl)c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1	217707793	FXUHRISYEQLPOM-UHFFFAOYSA-N	371.017	5.290	50	40	FKGB	
COc1cc(/C=C/C(=O)Cl)ccc1OCc1cccc2ccccc12	218725296	BMGWOQLJKHRWNH-ZRDIBKRKSA-N	352.817	5.206	50	40	FKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)c3ccc(F)cc3)cc21	223480712	LUDJSUJUQPSPBF-NDENLUEZSA-N	360.476	6.300	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)cc1	408742423	AHODSSGEQKNQPU-UYRXBGFRSA-N	370.408	5.003	50	40	FKGB	
N#C/C(=C/c1cccc(Cl)c1)c1ccc(I)cc1	409373591	WDGDQBPYQIFOIX-JYRVWZFOSA-N	365.601	5.009	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)cc1)c1ccc(Br)cc1	1101263	KTGOPSYFDPLUIQ-LGMDPLHJSA-N	353.263	5.113	50	40	FKGB	
N#CC(=C/c1ccc(-c2ccccc2)o1)/C(O)=N/c1ccccc1[N+](=O)[O-]	5034848	SYVCSZFJWGXFJI-QINSGFPZSA-N	359.341	5.050	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccc2ccccc12	409391417	IDEGGXZGQCBSHX-HMAPJEAMSA-N	366.439	6.451	50	40	FKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	1889217	JMOFHDBHJBJAKW-LFIBNONCSA-N	363.417	5.128	50	40	FKGB	
N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)cs1	4567464	JTVYIYFSVSMCKA-RAXLEYEMSA-N	372.280	6.093	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@H]1C[C@H]1c1ccccc1	5666278	ZQFSQCRNPJNROF-KWABMHPSSA-N	364.448	5.247	50	40	FKGB	
O=C(COc1ccc(Cl)cc1)NN=C1CCCCCCCCCCC1	6333198	AHNKJPFCNNFJDP-UHFFFAOYSA-N	364.917	5.496	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc(-c3cccs3)cs2)c(C)n1C1CC1	6552272	MYHWEINITXKJPE-OQLLNIDSSA-N	351.500	5.689	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1CC	6935777	QJTGSULHIYPMKB-SFQUDFHCSA-N	368.864	5.237	50	40	FKGB	
CCCCCC/C(C[C@@H](SCC)c1ccccc1Cl)=N/NC(N)=O	17141698	XEEHYGKOPPBKPH-RHTHQAGFSA-N	369.962	5.519	50	40	FKGB	
Cl[C@]1(Br)c2ccccc2[C@H](Br)[C@@H]2C=CC=C[C@@H]21	49625269	ZQASRTHFLYVJSG-MWQHPAIMSA-N	374.503	5.281	50	40	FKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](Cl)CC[C@@]43C)[C@@H]1CCC21OCCO1	118914981	JWVPKJKRSPZPMN-MILMJNAHSA-N	350.930	5.300	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)c1cccc([N+](=O)[O-])c1	107921305	LJPUPMVAJHLQCW-ODLFYWEKSA-N	374.371	5.377	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1cccc(Cl)c1	408599117	OVLSSNMQIZCYOL-MTJSOVHGSA-N	370.839	5.855	50	40	FKGB	
CC(C)c1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C(C)C)c1O	408844509	DHTGWORKUINOLK-SSDVNMTOSA-N	358.869	5.056	50	40	FKGB	
N#CC(C#N)=C1C=C2C=C(N3CCC(Cc4ccccc4)CC3)CC[C@@H]2CC1	49537641	IVEIQOGVKJXTIR-NRFANRHFSA-N	369.512	5.299	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)cc1Cl	409019616	JZGWKYPVVUYHNX-QZDMBBGESA-N	373.884	5.290	50	40	FKGB	
Cc1nc(/C(C#N)=C/c2ccc(Cl)cc2)sc1/N=N/c1ccccc1	4419420	JKPGKWXWIXIFRH-ZVIRAXRZSA-N	364.861	6.585	50	40	FKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	4544442	CJRGIIWBXSTQDW-VWYATJCMSA-N	368.480	5.595	50	40	FKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)o1	209378040	CYUAAMYVUSFGIE-LGMDPLHJSA-N	360.388	5.194	50	40	FKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)s1	408789396	PSOWZQMGNAUBAC-QGOAFFKASA-N	374.465	5.181	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(C#N)cc3)cc2)cc1	409371886	LXLPHOIKISZSMD-UCQKPKSFSA-N	350.421	5.510	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3Cl)n2)cc1	17186381	OTJNWTRBGYFKDJ-KAMYIIQDSA-N	367.861	5.449	50	40	FKGB	
COc1cccc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1	96024151	USSNRIOWICNFMO-ATVHPVEESA-N	361.470	5.412	50	40	FKGB	
CC(C)C(=O)Nc1ccc(-c2csc(/C(C#N)=C\c3ccco3)n2)cc1	96844000	MGGMXGJRCTWFCE-GDNBJRDFSA-N	363.442	5.062	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	4174929	TVIDNUMIMPAOCI-BOPFTXTBSA-N	362.454	5.282	50	40	FKGB	
CCCC[C@H](Br)C[C@@](F)(Cl)C(F)(F)Br	71613980	VHDQJFOCARQXPL-BQBZGAKWSA-N	360.439	5.223	50	40	FKGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc2ccccc12	196426514	GVFWFEVEROODLZ-LFIBNONCSA-N	366.342	5.404	50	40	FKGB	
C[Si](C)(C)O[C@H](c1ccccc1)C(F)(F)n1ccnc1-c1ccccc1	223063787	NOGQOZDMBKVNAQ-GOSISDBHSA-N	372.491	5.692	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2[C@@H](C)CC1(C)C	223531560	PBISFZCENZXNOQ-NFBGKYEXSA-N	373.500	5.344	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3Cl)n2)cc1	2284000	TTWCEUOLIQDCLS-RVDMUPIBSA-N	351.862	5.749	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)cc1	6354168	NGLTUVKAZVJYCK-XMHGGMMESA-N	373.525	6.472	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(O)cc4)c3C)[nH]c2c1	50704679	QXIQXZRFSQKUBO-PDGQHHTCSA-N	368.440	5.049	50	40	FKGB	
O=C(Cl)c1cc(Cl)c(-c2cc3ccccc3oc2=O)c(Cl)c1	218726501	LXPXWGCKHASOGH-UHFFFAOYSA-N	353.588	5.146	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccccc1	408566879	IWKIVUCILDANLC-GZTJUZNOSA-N	356.404	5.174	50	40	FKGB	
O=C(CCCCCBr)c1ccc(Cl)cc1C(F)(F)F	575361241	UWLGCTZNLDCKTB-UHFFFAOYSA-N	357.597	5.497	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC#N	6355023	PTVIDACAQZJFPH-XMHGGMMESA-N	354.409	5.205	50	40	FKGB	
O=C(N/N=C\c1ccc(-c2ccccc2)cc1)c1cc2cc(Cl)ccc2o1	409019557	UEOLLLCLPATGOP-OYKKKHCWSA-N	374.827	5.517	50	40	FKGB	
O=C(CSCc1c(Cl)cccc1Cl)NN=C1CCCCCCC1	4691130	GLHWEELGOCEIRG-UHFFFAOYSA-N	373.349	5.443	50	40	FKGB	
N#C/C(=C\c1ccco1)c1nc(-c2cccc(Br)c2)cs1	4839286	IPWVRLIYDAFHHN-XYOKQWHBSA-N	357.232	5.230	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1nc2ccccc2s1	4860352	OKHDCHLERQYSMN-SDNWHVSQSA-N	362.841	6.274	50	40	FKGB	
CCc1sc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1	4957127	RUPFDQLJNAXMKK-LFIBNONCSA-N	361.426	5.345	50	40	FKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cccc2ccccc12	6283526	AEHASBQODPOERR-SDNWHVSQSA-N	367.235	5.692	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	2333274	FGZRPELKAUEFAV-LDADJPATSA-N	361.376	5.206	50	40	FKGB	
CCOc1ccccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	3664061	LVKLIMAWPNHYPX-PCLIKHOPSA-N	368.436	5.156	50	40	FKGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1	4156372	BBJVWDPBFABNRH-UHFFFAOYSA-N	368.480	5.797	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nc(O)c2ccccc2n1	4170218	DNJWEHDDOZQFLW-SDNWHVSQSA-N	373.799	5.313	50	40	FKGB	
CCCCc1ccc(/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	4784660	MFWGAHMKPURKSF-XSFVSMFZSA-N	374.509	6.225	50	40	FKGB	
O=C(N/N=C/c1cccc2ccccc12)c1cc2c(ccc3ccccc32)o1	5450692	URODVWJXFDZUGB-MFKUBSTISA-N	364.404	5.503	50	40	FKGB	
COc1cccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1	6755328	USSNRIOWICNFMO-SFQUDFHCSA-N	361.470	5.412	50	40	FKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)cc1	16268443	GEZRRUXWUMUWSM-AQTBWJFISA-N	368.440	5.043	50	40	FKGB	
CCCCCC/C(C[C@@H](SCC)c1ccccc1Cl)=N\NC(N)=O	5553137	XEEHYGKOPPBKPH-AQRZYSDFSA-N	369.962	5.519	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1	33937810	LFMKEGDIJBNAKP-VJGPPREKSA-N	364.876	5.048	50	40	FKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1ccc(F)cc1	408866825	GVCYUQORIPMDAH-XMHGGMMESA-N	374.390	5.101	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	4174926	QVHGCRWUXQSTQC-UNOMPAQXSA-N	360.482	5.890	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1C[C@H]1c1ccccc1	5666365	ZQFSQCRNPJNROF-HWKFKXPMSA-N	364.448	5.247	50	40	FKGB	
CC1=C(C#N)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19832410	UYRPIAODUSCYBR-AOMKIAJQSA-N	374.871	5.225	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1	33461976	GNLKBCXVPBSVRT-SFQUDFHCSA-N	353.381	5.090	50	40	FKGB	
COc1cccc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1	33675913	RWYACNGGMQOKIJ-UDWIEESQSA-N	374.509	6.081	50	40	FKGB	
O=C(NN=C(/C=C/c1ccccc1)/C=C/c1ccccc1)Nc1ccccc1	3140559	FIBVDTQKWNMKJU-YWNVXTCZSA-N	367.452	5.591	50	40	FKGB	
N#C/C(=C\Nc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	4175211	KKKGMPUNELTUDK-JLHYYAGUSA-N	372.280	6.093	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1	6421340	MGOSDFJYTAUNNN-RVDMUPIBSA-N	362.414	5.003	50	40	FKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccsc2)[C@H]1c1ccsc1	1032125	KRRIHIXTTXDORR-MSGBMKDASA-N	352.484	5.139	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1	5165381	AWYBBKGZELVYKJ-CPNJWEJPSA-N	356.425	5.418	50	40	FKGB	
CN1/C(=C\C=C(/C#N)c2nc3ccccc3s2)C(C)(C)c2ccccc21	5446126	NPSBYSVRXRQMPC-QIROLCGISA-N	357.482	5.515	50	40	FKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	59116673	DMFOSAVHSQJXHX-RCCKNPSSSA-N	368.436	5.120	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccccn1	409243991	WAGTZAUZCCEBPR-PDGQHHTCSA-N	367.374	5.572	50	40	FKGB	
CC(C)(C)c1cc(/C=N/NC(=O)CC2CCCCC2)cc(C(C)(C)C)c1O	1754387	SMDLLXGCSMIKBE-BUVRLJJBSA-N	372.553	5.408	50	40	FKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1nc(-c2ccccc2)cs1	5259708	NYWZMRGMJBCMPC-XNTDXEJSSA-N	354.381	5.476	50	40	FKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	9200950	NPIROHDZDXTJPO-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	59117566	YGFJALPTBAFBEQ-XNTDXEJSSA-N	367.235	5.692	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C	208234456	MGRAJWHGUODESY-VXIUPONVSA-N	364.920	6.435	50	40	FKGB	
N#C/C(=C\c1ccc2[nH]c3ccccc3c2c1)C(=O)Nc1cccc(Cl)c1	408858103	JPXFRPRQABJKLT-XNTDXEJSSA-N	371.827	5.520	50	40	FKGB	
CC(C)=CCCC1=C[C@H](C)[C@@H](/C=N/NC(=O)COc2ccccc2C)CC1	5344030	ZQXZJTWRVAKOBD-TXYQTSDKSA-N	368.521	5.195	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(C)c2)c1C	408967859	SKXWNHFIVQHDKB-IWIPYMOSSA-N	374.488	5.121	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	1977577	DGCSIOOSBLLNNO-ZHZULCJRSA-N	356.381	5.238	50	40	FKGB	
N#C/C(=C\c1ccc(I)o1)c1cccc2ccccc12	6496572	HIYWJBZSUNTGSK-JLHYYAGUSA-N	371.177	5.102	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)o1)c1ccc(Br)cc1	59138016	NIZJICMXZLZQRG-QINSGFPZSA-N	357.251	5.097	50	40	FKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2)cc1	408737762	WXMDAHKMEIDUGR-HKOYGPOVSA-N	366.505	5.037	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1O	13027827	AKTBOBMKGASHAR-LICLKQGHSA-N	362.454	5.287	50	40	FKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2ccccc2F)o1	33670260	MMFKEHIMFYQCBQ-RAXLEYEMSA-N	364.332	5.067	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Cl)cc1	409007390	OILQGVFFEMXOPW-UCQKPKSFSA-N	366.848	5.046	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Cl	409016235	SWMZPOKPKOYMFC-KWZJRMENSA-N	365.864	5.766	50	40	FKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1	409017596	FTRFWJVZVGDTJD-UUYOSTAYSA-N	354.837	5.148	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1C	4063772	GWVMXNRDPHNSNR-XDHOZWIPSA-N	359.498	6.020	50	40	FKGB	
CC(C)(C)OC(=O)NCCCCCCCCCCCCBr	6159280	NMEYVOTVGMXGKU-UHFFFAOYSA-N	364.368	5.807	50	40	FKGB	in-vitro
Cc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473541	QQIYYWUPXSGKMG-HZHRSRAPSA-N	360.482	5.051	50	40	FKGB	
Clc1ccc(Cl)c(-c2nc3ccc(CBr)cc3s2)c1	73635370	QNJJHNRHZIMABP-UHFFFAOYSA-N	373.102	6.165	50	40	FKGB	
BrCc1ccc2nc(-c3ccc(Br)cc3)oc2c1	70461577	ISPGBPJQWSHFGS-UHFFFAOYSA-N	367.040	5.152	50	40	FKGB	
Cl[C@@]12OO[C@@](c3ccccc3)(O1)[C@@H](c1ccccc1)c1ccccc12	104147654	IALBJXFCPBMPTH-PWRODBHTSA-N	350.801	5.013	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	408542202	HREUDMSYBNEIMR-SFQUDFHCSA-N	353.425	5.406	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)c1	408872342	DJHQYSLGFFUPMX-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1	2286065	IYCHZVAIOLMGLO-FOWTUZBSSA-N	361.470	5.412	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)c1cccc(F)c1	2879077	BZFZCJMVDBKQTP-CIAFOILYSA-N	354.384	5.341	50	40	FKGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)c1ccc(C(F)(F)F)cn1	40139842	CSSBYQZMMJZRMU-NTUHNPAUSA-N	374.753	5.004	50	40	FKGB	
Clc1ccc(-c2nc3ccc(CBr)cc3s2)c(Cl)c1	73635354	QRXYANBVVCSOBN-UHFFFAOYSA-N	373.102	6.165	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC	408583253	SWWCTIPCQXWZOJ-GZTJUZNOSA-N	371.864	5.600	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408805505	KVMHJOLZKZFRQC-XDJHFCHBSA-N	370.452	5.483	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	3224291	VDDUKACRNBKRFT-CAPFRKAQSA-N	369.468	5.232	50	40	FKGB	
C/C(=N\NC(=O)Cc1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1	409261255	BLNCGLDEEMALLH-KOEQRZSOSA-N	364.533	5.365	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2cccc3ccccc23)cs1	4292672	RBMYGYLBFPFLCL-SFQUDFHCSA-N	372.880	6.681	50	40	FKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(CC)cc3)n2)cc1	4590892	PPGUAXJLNFHSEC-PXLXIMEGSA-N	372.537	6.779	50	40	FKGB	
CC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19832405	UYRPIAODUSCYBR-OPAMFIHVSA-N	374.871	5.225	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)cc1	40868947	HUNANPDLEQZNKX-STZFKDTASA-N	368.436	5.120	50	40	FKGB	
CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2357436	XAWNILOIPUROQT-NTUHNPAUSA-N	364.228	5.360	50	40	FKGB	
CC(C)=CCCC1=C[C@@H](C)[C@@H](/C=N/NC(=O)COc2ccccc2C)CC1	5344031	ZQXZJTWRVAKOBD-IVKPCUOWSA-N	368.521	5.195	50	40	FKGB	
CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1	5385644	ZYDSGWOJQCKYEQ-JXAWBTAJSA-N	374.488	5.262	50	40	FKGB	
CC(C)(CO[Si](C)(C)C(C)(C)C)c1cc2cc([N+](=O)[O-])c(F)cc2[nH]1	202691369	UJHJNAINTHTGEH-UHFFFAOYSA-N	366.509	5.515	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)cc1Cl	409012385	JRRWYPHETLACLH-SRMCNWIXSA-N	373.884	5.290	50	40	FKGB	
Cc1ccccc1/C=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	4174857	MRTLFKPNRAWLOJ-BKUYFWCQSA-N	358.510	6.381	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccccc1F	33653316	SYNALWPRTPYBEL-UYRXBGFRSA-N	373.383	5.167	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2[C@H](C)CC1(C)C	208313218	PBISFZCENZXNOQ-MCRQTXEHSA-N	373.500	5.344	50	40	FKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)c3cccc(C#N)c3)c3ccccc32)cc1	408566430	GJJYSNZDUWCZHK-OEAKJJBVSA-N	373.459	5.934	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	6209839	VILBSOFWCLGAKS-XMHGGMMESA-N	370.452	5.401	50	40	FKGB	
CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	6708639	XIOZKRNODFVUBL-FOWTUZBSSA-N	363.461	6.049	50	40	FKGB	
CC(C)(C)C1CCC(=NNC(=O)CSCc2ccc(Cl)cc2)CC1	59472820	YMNKZRJVSABNOH-UHFFFAOYSA-N	366.958	5.282	50	40	FKGB	
CC[C@H](Cl)COP(=O)(OC[C@H](Cl)CC)[C@H](CC)CCl	5218064	NFOAVOICHJFWCO-PXHQMQTGSA-N	353.654	5.265	50	40	FKGB	
Cc1nc(/C(C#N)=C\c2ccco2)sc1/N=N/c1ccccc1[N+](=O)[O-]	13408144	KRIDYBGAWAEDDC-VOOLDLKOSA-N	365.374	5.432	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	211573925	ZJMOAPURZCDCSN-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
Cc1c2ccccc2c(/C=N/NC(=O)CCc2ccccc2)c2ccccc12	408871094	XSZOAIIVIUUGBN-YZSQISJMSA-N	366.464	5.384	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	3327004	KBGFMVVDZHCVAH-VIZOYTHASA-N	359.256	5.662	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@H]2[C@@H]3CCCC[C@@]32C)o1	17076027	ZUYXGPDRKZIGCF-WUAFHCAESA-N	370.880	5.185	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C	208311151	JMWLOQQVORIOMW-BKAYVGFPSA-N	364.920	6.516	50	40	FKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc(C(C)(C)C)cc1	408719350	BYIVYWMQHMPLOL-QFNCUCFLSA-N	354.519	5.005	50	40	FKGB	
C[C@@H]1CC[P+](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21	73258684	HPUOAAXRMRYCQV-HXUWFJFHSA-N	367.452	5.641	50	40	FKGB	
O=C(CCCC[C@H]1CCSS1)N1CCCC[C@H](c2ccccc2)C1	390829590	ZYLICKVHXAYMDM-OALUTQOASA-N	363.592	5.497	50	40	FKGB	
CCCCCCC(=C/c1ccccc1)/C=N/NC(=O)c1ccccc1O	3099426	VTNUTWMZBCJEHQ-FIAINZHSSA-N	350.462	5.162	50	40	FKGB	
CCCCCCCNC(=N)CSSCC(=N)NCCCCCCC	104157820	MXVUZNICWWQSKH-UHFFFAOYSA-N	374.664	5.442	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OC(C)C)cc1	408795344	BXTKLQUACQZUGB-GZTJUZNOSA-N	368.864	5.235	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl	409043045	PJGWOPCMOUCYPU-MDWZMJQESA-N	372.255	5.723	50	40	FKGB	
C=CCc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(OCC)c1OC	409317916	SBQQYVZWUNCMHO-QNGOZBTKSA-N	369.464	6.040	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1	6912212	AHRPMEHZPLKYKL-QGOAFFKASA-N	374.415	5.032	50	40	FKGB	
CCCCSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	20347619	QCGGTKCCGPRQSJ-GOSISDBHSA-N	360.910	5.158	50	40	FKGB	
BrCc1ccccc1-c1nc2cc(-c3ccccc3)ccc2o1	41127395	GPVPSGLOPUJDGB-UHFFFAOYSA-N	364.242	6.057	50	40	FKGB	
C=C(c1ccccc1)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104106165	DQTUPLSHDPRTHT-UHFFFAOYSA-N	366.444	5.384	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(F)c1	409394025	UOHYJWVAMYFMQX-KAMYIIQDSA-N	355.821	6.287	50	40	FKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1	5007560	YKASVEFMZCSUQN-WOJGMQOQSA-N	374.465	5.416	50	40	FKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)cc1	33713835	NNVBTXZHNUVZNF-UNOMPAQXSA-N	373.412	5.075	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1OC	408580313	OFHKNXHURKTCQE-KGENOOAVSA-N	371.436	5.347	50	40	FKGB	
C=CCN1C=CC=C/C1=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	257173081	CFMACYQWAPBMBP-FBMGVBCBSA-N	351.862	5.270	50	40	FKGB	
CCCCC/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1	4595429	SGVGRXKFFQFBQE-SHHOIMCASA-N	370.496	6.068	50	40	FKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(Cl)cc1	409106145	MGWZACCGHJRZHL-BOPFTXTBSA-N	368.864	5.022	50	40	FKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Sc2ccccc2)o1	1211960	YQSOBQKOCNGMIE-SAPNQHFASA-N	374.465	5.539	50	40	FKGB	
ClCCN(CCCl)c1ccc(/C=C\c2ccnc3ccccc23)cc1	4707392	VDKDHRVFXLQTKV-YVMONPNESA-N	371.311	5.689	50	40	FKGB	
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	13324337	DZXGDLAKZTXDBZ-FFSVQTDXSA-N	368.908	5.281	50	40	FKGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc([C@@H](C)CC)cc2s1	20132689	TVHLFHLDOWTGBY-CMPLNLGQSA-N	369.328	5.312	50	40	FKGB	
CCCCCCCCCCCCCCCC/C=C\[C@H]1CC(=O)OC1=O	100028634	KAYAKFYASWYOEB-IVFAQJDTSA-N	350.543	6.504	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)cc1	408851263	WZFOSVIHMLYSQK-VBKFSLOCSA-N	351.858	6.457	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(F)cc1	2314032	RMHMBAVPBIMEPW-SDNWHVSQSA-N	366.779	5.285	50	40	FKGB	
N#C/C(=C\c1cccn1-c1ccc(O)cc1)c1ccc(Br)cc1	4676400	BTXWHECRMCDMCC-NTCAYCPXSA-N	365.230	5.010	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)Cn1cnc2ccccc21	408691547	DKPIMFGRCQJLFK-ZHZULCJRSA-N	365.436	5.222	50	40	FKGB	
Cc1sc2nc(/C(C#N)=C\c3ccc4ccccc4c3)nc(O)c2c1C	40161162	NETLIGJYVPCRKB-YVLHZVERSA-N	357.438	5.231	50	40	FKGB	
C#C[C@]1(O[Si](C)(C)C)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C	257373114	LZECAWNJNIQRQF-GOMYTPFNSA-N	370.609	5.352	50	40	FKGB	in-vitro
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C	408544775	XGKYQSXZFIIVRE-XKZIYDEJSA-N	370.452	5.473	50	40	FKGB	
Cc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(C)cc2)cc1	705950	JQRHIAJQKBGRFJ-YSSBIZNGSA-N	368.480	5.633	50	40	FKGB	
O=S(=O)(SCc1ccccc1)C(c1ccccc1)c1ccccc1	1681586	XINRYQIHCBXJRR-UHFFFAOYSA-N	354.496	5.039	50	40	FKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21	208196139	IBQNCGRRHCNJCO-QJISPJEISA-N	356.473	5.349	50	40	FKGB	
COc1c(Cl)cc(-c2nc3cc(C(=O)Cl)ccc3o2)cc1Cl	217707684	QPQCOHIGQPBICP-UHFFFAOYSA-N	356.592	5.189	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)cc1	408773125	GNEAEJIQIJQTHW-ZHZULCJRSA-N	361.489	5.328	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)c(C)n1-c1ccc(N(C)C)cc1	2868965	XJJGOBCTCXTABB-XSFVSMFZSA-N	359.448	5.363	50	40	FKGB	
N#C/C(=C\c1cccc2c1OCO2)c1nc(-c2cccc(Cl)c2)cs1	5568797	JLJYKEOHUQCSAW-VGOFMYFVSA-N	366.829	5.256	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	7157264	WBBUINXQPYPYSW-FABDANFUSA-N	370.452	5.023	50	40	FKGB	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)cc1	33668325	YPINXQQISBDWBD-XLNRJJMWSA-N	367.448	6.221	50	40	FKGB	
CCCCCCCCCCCC[C@@H](C)[Si](OCC)(OCC)OCC	220750768	SVFWPRCKSMTKQN-HXUWFJFHSA-N	360.655	6.736	50	40	FKGB	
O=C(CCCCCBr)c1cccc(OCc2ccccc2)c1	394769023	DVHWYWUZWUAWKX-UHFFFAOYSA-N	361.279	5.404	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(OC)c1O	408581440	WTBONCLUVDCCBC-RIYZIHGNSA-N	360.240	5.500	50	40	FKGB	
C/C(=N\NC(=O)CCSc1ccccc1)c1ccc(C(C)(C)C)cc1	5205735	HRMLGIDCCFOBGT-CJLVFECKSA-N	354.519	5.007	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C)cc1	59473199	MQVBAORXMCQIMO-HKOYGPOVSA-N	374.509	5.441	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)OC1CCCCC1	1453361	QFIOIAIGBMXSTR-WYMLVPIESA-N	355.821	5.383	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccc3ccccc3c2)cs1	4980084	OHGMKKPYLGEUKN-YBFXNURJSA-N	372.880	6.681	50	40	FKGB	
CC[C@@H](C)n1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21	408948240	QXUVKOOKSTWUAN-KSJDGYIASA-N	359.429	5.122	50	40	FKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccccc3)c2C)cc1	408995315	MBIFBNKKTALYHO-UQQQWYQISA-N	373.500	5.201	50	40	FKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1	409362276	ITRKNIQLCALWPV-NBVRZTHBSA-N	353.450	5.665	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(F)c1	409391704	JNTDRRRVEHSKOH-NTEUORMPSA-N	358.199	6.457	50	40	FKGB	
O=C(CCl)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31	824063	VERXHDYUFFPRGY-FQEVSTJZSA-N	370.924	5.147	50	40	FKGB	
CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCl	100925794	MHDVKSJQKRJTAT-UHFFFAOYSA-N	361.078	7.563	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)c1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C	208215539	JCIDFIRTQNBYST-DZGUVLCISA-N	364.920	6.435	50	40	FKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccc(Cl)cc2)o1	408960588	MZDYZXUBEYRKGX-WJDWOHSUSA-N	363.800	5.671	50	40	FKGB	
Cc1ccc(-c2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)sc2C)cc1	4313656	NXGRYYOMMGSORA-GZTJUZNOSA-N	361.426	5.399	50	40	FKGB	
BrCc1cc2ccc1CCCCc1ccc(cc1)CCCC2	71782866	BXJPMJIFTQXGIF-UHFFFAOYSA-N	357.335	6.026	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1	408803247	MXTHAODLSVOITI-SFQUDFHCSA-N	368.864	5.237	50	40	FKGB	
C[C@@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccs2)/C(=C/c2cccs2)C1	8783219	RWXBYBCQZYYKLX-IYBXIAFASA-N	366.511	5.385	50	40	FKGB	
Cc1cc(C)cc(CSCC(=O)NN=C2CCC(C(C)(C)C)CC2)c1	6419007	FILFLUHVRSTJJS-UHFFFAOYSA-N	360.567	5.245	50	40	FKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1	33782763	WWGBWGOUPKFHMX-NHDPSOOVSA-N	359.212	5.017	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1	409366833	ZBTCUNPFXVUKLC-ULJHMMPZSA-N	361.444	6.483	50	40	FKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1	409368111	RTGAGYMPWLMCIA-YDZHTSKRSA-N	366.848	5.044	50	40	FKGB	
Cc1c(/C=C(\C#N)c2ccc(Br)cc2)c2ccccc2n1C	1102923	ATDKVGFTPQVDSG-RVDMUPIBSA-N	351.247	5.313	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)c1	6477754	LLCBXTGFFZSHLR-YVLHZVERSA-N	362.454	5.200	50	40	FKGB	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	6489695	RZZDZHWMCYYATD-PGMHBOJBSA-N	368.436	5.298	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)o1	17076026	ZUYXGPDRKZIGCF-KXYYNFDASA-N	370.880	5.185	50	40	FKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C/c2cccc3ccccc23)cc1	1692239	OXOHYIKGEFMUSJ-PTGBLXJZSA-N	370.496	5.625	50	40	FKGB	
O=C(Nc1nc2ccccc2s1)NN(c1ccccc1)c1ccccc1	10365739	FPAGSKFLTAFTAP-UHFFFAOYSA-N	360.442	5.171	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C	34721065	BTKGOKKUGUSJMH-ZHZULCJRSA-N	366.468	5.597	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl	408796688	YVRHOFNVFWSBFR-SFQUDFHCSA-N	366.848	5.013	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	408805113	DXVCIGYYJJMRLZ-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
Cc1c(/C=C(\C#N)c2cccc(Br)c2)c2ccccc2n1C	408847261	SQCAICXALJSJQB-RVDMUPIBSA-N	351.247	5.313	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(Br)c1	409105475	HWSSNIWPLLRJFY-YBEGLDIGSA-N	371.253	5.253	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(F)ccc3C)n2)c1	875582	XUAKWYQCNFUZDO-RVDMUPIBSA-N	365.433	5.243	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2ccccc2F)cc1OCc1ccccc1	6761981	QPFFROBFDKNSTB-UYRXBGFRSA-N	359.400	5.477	50	40	FKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(F)cc3)cc21	208245915	VNUWAJLCVMZRSF-DUPVFGOHSA-N	368.883	6.265	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)Sc1ccc(Br)cc1	3309638	CGBDYNNKTMJVIA-OQLLNIDSSA-N	350.668	5.759	50	40	FKGB	
ClC1=C[C@H]2[C@H]3[C@@H]4[C@H](C4(Cl)Cl)C4(CC4)[C@H]3[C@@H]([C@H]1Cl)C21CC1	100675383	UCMPKRWKCHKHFK-AOYVILPGSA-N	350.116	5.202	50	40	FKGB	
C[C@@H](Cl)CN(C[C@@H](C)Cl)c1ccc2c(c1)Cc1cc(F)ccc1-2	1678217	BYAPDXBRCDPDPJ-CHWSQXEVSA-N	352.280	5.458	50	40	FKGB	
O=C(CCl)Nc1ccc(Oc2ccc(Cl)cc2Cl)c(Cl)c1	4015702	RJZOJHDPQMNICD-UHFFFAOYSA-N	365.043	5.616	50	40	FKGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(COc2ccccc2)cc1	33497377	SVWJTCJEXONELV-LUWGDHOESA-N	370.452	5.085	50	40	FKGB	
O=[P@@](Cl)(OCC(Cl)(Cl)Cl)Oc1ccccc1Cl	100366998	ORLCYMQZIPSODD-KRWDZBQOSA-N	358.372	5.453	50	40	FKGB	
C/C(=N\NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc(C2CCCCC2)cc1	17074309	XDQVGZCHPZGOBG-WOMORPIMSA-N	360.501	5.378	50	40	FKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@@H]2Br	4185008	HSIUCQNHPABEPI-AHRSYUTCSA-N	372.306	5.368	50	40	FKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H](Cl)C=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl	169350860	FRCCEHPWNOQAEU-QNOJDQBWSA-N	373.321	5.242	50	40	FKGB	in-vitro
C/C(=N/NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1cccnc1	17837786	XPCDAMNNRAFTPD-QADSEFCXSA-N	358.405	5.043	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1	59335167	AWGRNUNLJFUXPY-RGEXLXHISA-N	354.409	5.333	50	40	FKGB	
CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2669724	YMGACXRZSJVOCV-KPKJPENVSA-N	364.228	5.360	50	40	FKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)c1ccccc1F	107794111	HIRBFSKDRKHCNI-YHYXMXQVSA-N	352.590	5.011	50	40	FKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1	409019175	ZAZUDWCEZSTVDX-UDWIEESQSA-N	372.902	5.317	50	40	FKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cc(Cl)cc(Cl)c1	3421560	BKDXOKZGYWDCEP-OVCLIPMQSA-N	367.235	5.692	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(F)c3)n2)cc1	13659440	KGFUUTMGAFZIKY-RAXLEYEMSA-N	369.396	5.073	50	40	FKGB	
CC(C)Oc1ccccc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1	16575702	YIXKWUROGLLHEA-OYKKKHCWSA-N	372.424	5.137	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccccn1	48417678	OMOKKZQXYWISEY-AQTBWJFISA-N	368.465	5.119	50	40	FKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C(C)C	408852560	UDQNHTADGRNJGB-GZTJUZNOSA-N	366.436	5.202	50	40	FKGB	
CCc1ccc(-c2csc(NC(=O)[C@H](Cl)c3ccccc3)n2)cc1	3276852	GOJIUMVBUCJFTR-QGZVFWFLSA-N	356.878	5.291	50	40	FKGB	
CC(C)(C)C1=NN(c2c(Cl)cc(Cl)cc2Cl)SSC1	3844511	CBDZDDNRNHVFHW-UHFFFAOYSA-N	355.743	6.165	50	40	FKGB	biogenic
Cc1ccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3)n2)c(C)c1	4174946	LVIFNJCWMAMGAK-CXUHLZMHSA-N	350.874	6.145	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(F)cc1	13601414	GULOOKOAMROLGU-PDGQHHTCSA-N	361.376	5.206	50	40	FKGB	
CCCOc1ccc(C23CC(C[C@H](C)C2)C[C@H](C)C3)cc1C=C(C#N)C#N	19597133	DPHVQGWCALBMCP-BBFQFKIHSA-N	362.517	6.010	50	40	FKGB	
CCCCCCCCCCCCSS(=O)(=O)c1ccc(C)cc1	104108102	RLODWPRNQMBLQI-UHFFFAOYSA-N	356.597	6.338	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(F)cc1	107778169	QHKWVAUUSKHKCN-WQRHYEAKSA-N	361.376	5.206	50	40	FKGB	
O=C/C(=C\Nc1c2ccccc2nc2ccccc12)c1nc2ccccc2o1	5336980	IADKOMPEISKWDJ-FYWRMAATSA-N	365.392	5.181	50	40	FKGB	
Cc1ccccc1C(=O)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	59194003	MEVWWKRIWFHXLR-HMMYKYKNSA-N	367.404	5.004	50	40	FKGB	
CCN(CC)c1ccc(C(=O)N/N=C2/CCCC[C@H]2C2CCCCC2)cc1	103454388	ASTRLFPJCXPSKV-INZAYJCZSA-N	369.553	5.389	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(Cl)c(Cl)c1	408585926	KGIMJADOMSWUNV-LFIBNONCSA-N	368.263	6.609	50	40	FKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1Cc1ccco1	3166667	YFAHCXLJNIZRAU-UHFFFAOYSA-N	359.454	5.490	50	40	FKGB	aggregator
N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)c1nc2ccccc2[nH]1	5729132	WCKUODHMYCNNCZ-LDADJPATSA-N	369.399	5.345	50	40	FKGB	
O=C(N/N=C/c1cccc2ccccc12)c1sc2ccccc2c1Cl	5949079	UFMVHGHTOQGITE-WSDLNYQXSA-N	364.857	5.472	50	40	FKGB	
COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1OC	6438703	QNMFKMKUOUMHGY-GZTJUZNOSA-N	362.454	5.200	50	40	FKGB	
Clc1cc(Cl)c2oc(-c3ccc(CBr)cc3)nc2c1	45923118	DIEPGNPDXOEPMF-UHFFFAOYSA-N	357.034	5.697	50	40	FKGB	
O=[N+]([O-])c1ccc(S(F)(F)(F)(F)F)cc1/C=C/c1ccccc1	97950179	GAJOSDMDMFOASM-VOTSOKGWSA-N	351.296	6.423	50	40	FKGB	
CCN(CC)P(=Nc1ccccc1C#N)(c1ccccc1)c1ccccc1	100251192	GVTPQKQCEFUPLX-UHFFFAOYSA-N	373.440	5.299	50	40	FKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1cccc2ccccc12	408886704	LKCMLUZZLICETC-XIEYBQDHSA-N	374.484	5.563	50	40	FKGB	
O=C(c1cccc(OCc2cccc(F)c2)c1)[C@@H](Cl)c1ccccc1	575357617	OROSJLLZQUGCGD-FQEVSTJZSA-N	354.808	5.568	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC)n2)cc1	4817139	ZOZQSHAVTOSDOC-GHRIWEEISA-N	361.470	5.358	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)c1cccc2ccccc12	6324658	UNJIPSLRFHUQSB-HEHNFIMWSA-N	363.460	6.846	50	40	FKGB	
C=CCn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21	408598672	ICRCWEYLIRQUMF-DTQAZKPQSA-N	370.481	5.669	50	40	FKGB	
CC(C)n1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc21	409242295	WRHAQHLBPXLIFX-NFBGKYEXSA-N	357.457	5.007	50	40	FKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)c1nc(-c2ccc(Cl)cc2)cs1	4784434	GLRJEJBMFDVILE-YRNVUSSQSA-N	357.778	5.029	50	40	FKGB	
N#C/C(=C\c1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl	6258404	RHDQLJHXNWOJNR-DHZHZOJOSA-N	351.620	5.192	50	40	FKGB	
N#CC(C#N)=C/C=C(\Sc1ccc(Cl)cc1)c1ccc(Cl)cc1	2557538	BHPSXHNKQZWERS-ZDLGFXPLSA-N	357.265	6.100	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3C)n2)cc1	13774018	RUEHZKPLAIBAAN-WJDWOHSUSA-N	365.889	6.057	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1	15013329	SMWKUBRWZWGUJP-RCCKNPSSSA-N	369.468	5.232	50	40	FKGB	
Cc1c(Cl)cccc1N/C(S)=C(\C#N)c1nc2ccccc2s1	100107894	HBPLYATUDPRZEI-WJDWOHSUSA-N	357.891	5.492	50	40	FKGB	
O=C(O)c1cc(S(F)(F)(F)(F)F)cc(S(F)(F)(F)(F)F)c1	258837615	UFXDTBJHHNNRML-UHFFFAOYSA-N	374.221	6.700	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C)c3C)n2)cc1	6354162	HYVFZVGMOBYRED-CPNJWEJPSA-N	359.498	5.966	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1	33342865	MUTXBUDATZZWAH-VBKFSLOCSA-N	350.215	5.773	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@]43C)o2)cc1Cl	408955263	OLAYJJRZAGZHAM-LCFSLDLLSA-N	370.880	5.185	50	40	FKGB	
CC(C)(C)c1ccc(S(=O)(=O)Sc2nc3ccccc3s2)cc1	1926325	RXKJKNIIVWEVEK-UHFFFAOYSA-N	363.529	5.075	50	40	FKGB	
CC[C@@H](C)c1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1	20133425	WRWBADZKIWILNK-QMTHXVAHSA-N	369.328	5.168	50	40	FKGB	
Cn1c(SCCCCl)nnc1-c1ccc(-c2ccc(Cl)cc2)o1	199767125	UVHGBZNOFUDCFU-UHFFFAOYSA-N	368.289	5.117	50	40	FKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)c1nc2ccccc2s1	5259537	CMULJZPGRFIBIW-GHRIWEEISA-N	354.434	6.153	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/c3cccc(OC)c3)n2)cc1	6656985	HQASIWUTCGFSGJ-GZTJUZNOSA-N	362.454	5.282	50	40	FKGB	
Clc1ccc(-c2nc3cc(CBr)ccc3o2)c(Cl)c1	226317923	BWQMOVDPUQAWOW-UHFFFAOYSA-N	357.034	5.697	50	40	FKGB	
Cc1ccsc1/C=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1	4546467	ZNQCNGDTEHJFPM-WOJGMQOQSA-N	358.491	6.397	50	40	FKGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)Sc1nc2ccccc2s1	6345355	YMVCXPUSMZEFLN-XYOKQWHBSA-N	373.846	5.515	50	40	FKGB	
Cc1cc(C(=O)N/N=C2\C[C@H](C)CC(C)(C)C2)c(C)n1-c1ccccc1	33856576	PXRMCMFRVSPZFP-CVIUTVQRSA-N	351.494	5.026	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)cc1	408866311	HHOSJZYQJDTPHS-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1	409360531	QRGPAAUVMAMVRY-ZHZULCJRSA-N	368.867	6.407	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1ccccc1[N+](=O)[O-]	3217395	PBFYGXJUAZYITH-CPNJWEJPSA-N	356.381	5.238	50	40	FKGB	
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	3247972	XNOUESHWJMVGKE-UKTHLTGXSA-N	369.346	5.041	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	209401365	LADRWQIBCIBBDH-XNTDXEJSSA-N	354.236	6.626	50	40	FKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1C(C)C	408855950	GREWTXDPFBEVJS-XDHOZWIPSA-N	362.473	5.371	50	40	FKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1ccc2ccccc2c1	408998910	JJAXHXKEYNCCDY-XYGWBWBKSA-N	367.452	5.011	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)cc1	5604933	PFYTZQYCNXRQSL-ZVHZXABRSA-N	358.828	5.410	50	40	FKGB	
N#C/C(=C\c1c(F)c(F)c(F)c(F)c1F)c1nc2ccccc2s1	6886139	BFDDKCSZTXLILQ-FNORWQNLSA-N	352.287	5.056	50	40	FKGB	
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccc(C)cc1	218724394	QBWWMSBKTIJITG-BQYQJAHWSA-N	351.229	5.015	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(OCc2ccc(Cl)cc2)c1	1083988514	XQLYCPJIKWHKFS-GZTJUZNOSA-N	353.849	5.441	50	40	FKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)o1	6449974	DGPIWWMOFVQLBS-YBEGLDIGSA-N	363.800	5.671	50	40	FKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	6936588	VTHINSYKOMEYAD-RVDMUPIBSA-N	374.362	5.040	50	40	FKGB	
C[C@@H](Br)C12CC3(Br)C[C@](C)(C1)C[C@](C)(C3)C2	100477948	FYBHVDNBMAEARY-HEKVYRDFSA-N	350.138	5.284	50	40	FKGB	
CC(=O)Nc1sc(/C(C#N)=C\c2cccs2)nc1-c1ccc(C)cc1	4937543	IYMNTTWPKCJEAA-GDNBJRDFSA-N	365.483	5.203	50	40	FKGB	
CCCC/C(C)=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	5020822	UZUHMTILOXKTGA-PXLXIMEGSA-N	374.937	5.928	50	40	FKGB	
ClC[C@@H](Cl)CCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl	103659949	BGUCVTBWQJKWCX-ZJUUUORDSA-N	362.983	6.541	50	40	FKGB	in-vitro
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc2ccccc2c1	107970071	QUQKSLOJAHZLPI-HMAPJEAMSA-N	366.439	6.451	50	40	FKGB	
N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)c1ccccc1F	108089418	UCEATPZZTPEIQU-DTQAZKPQSA-N	365.860	6.694	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	1296335	IHNXJVPTVNLKAZ-RVDMUPIBSA-N	362.414	5.003	50	40	FKGB	
Cc1c(Cl)cccc1/N=N\c1ccc(N(CCCl)CCCl)cc1	104189268	BXYMBLZAOWVYJL-DQRAZIAOSA-N	370.711	6.348	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1F	108117258	NAEJNUITXWNECN-XFXZXTDPSA-N	368.751	5.711	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(Cl)c1	408598808	JYIJBLAYMKZBMD-JLHYYAGUSA-N	374.654	6.971	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)cc1	13943549	IEXDVPYAXVCDMZ-PXLXIMEGSA-N	353.421	5.364	50	40	FKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3cccc(F)c3)c3ccccc32)c1	409390306	DXOWRXVHJYGJKS-BKUYFWCQSA-N	366.439	6.201	50	40	FKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1	949667	FRPBDPJFMPHSRH-XNTDXEJSSA-N	365.845	5.009	50	40	FKGB	
C[C@@H](Sc1ccccc1)C(=O)NN=C1CCCCCCCCCCC1	4714669	QSOAPIKFIMMERZ-GOSISDBHSA-N	360.567	5.944	50	40	FKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc(Cl)c1O	9452832	MWPFRXYKBRANDT-VGOFMYFVSA-N	368.845	5.242	50	40	FKGB	
O=C(NN=C1CCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	20785177	MJKDKRFLMBVRQP-UHFFFAOYSA-N	372.921	5.682	50	40	FKGB	
CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	104144174	RQTCPUIIKAFYLW-CQSZACIVSA-N	365.285	5.626	50	40	FKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccc3Cl)sc2c1	108833227	MGTAUSXETBEEIP-UKWGHVSLSA-N	363.269	5.280	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1C1CCCC1	1102917	YWKWOLCCHZJJAP-LDADJPATSA-N	369.306	6.047	50	40	FKGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(Oc2ccccc2)cc1	1631485	WLOCKJZLPKCIBI-XMHGGMMESA-N	357.346	5.609	50	40	FKGB	
CCCCCCCCCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1	97941897	DWVLVXJSDHOEHD-UHFFFAOYSA-N	367.921	5.414	50	40	FKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)c1	408744769	MQRUYFBYTCAHNH-UYRXBGFRSA-N	370.408	5.003	50	40	FKGB	
Cc1cc(C(=O)O)c(C)cc1SSc1cc(C)c(C(=O)O)cc1C	1710868	IVFOUSVJOQMMEE-UHFFFAOYSA-N	362.472	5.116	50	40	FKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccc2ccccc2c1	4503318	RSNKTOXHPJPOGE-KOEQRZSOSA-N	366.420	5.396	50	40	FKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1	39884469	VPRLQFDHJFCUMF-QGOAFFKASA-N	374.415	5.755	50	40	FKGB	
CC(C)(C)C1CCC(=NNC(=O)CCSc2ccc(Cl)cc2)CC1	59472817	OOKLWMZWPDLGIR-UHFFFAOYSA-N	366.958	5.531	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1cccc(F)c1	409390603	GBLMBNXNTZMMNB-UNOMPAQXSA-N	363.819	6.122	50	40	FKGB	
CC[Si](CC)(CC)OC(CC(F)(F)F)O[Si](CC)(CC)CC	627281316	RAEHRQGBZKXXSR-UHFFFAOYSA-N	358.593	6.309	50	40	FKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C	4953876	QUWWUTNPQOUAFL-RIYZIHGNSA-N	367.836	5.076	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2c1	15012233	GLVFBRYSOQVVNT-SXGWCWSVSA-N	367.235	5.692	50	40	FKGB	
Cc1ccc([C@H](Br)C2=CC(C)(C)c3ccccc3C2=O)cc1	16973582	LIIZOWVCZKYZMO-SFHVURJKSA-N	355.275	5.532	50	40	FKGB	
CCCCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	1977696	AXUKKTZFVHGXLR-XDJHFCHBSA-N	350.418	5.618	50	40	FKGB	
C/C(=N\NC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1cccnc1	104258363	XPCDAMNNRAFTPD-XJPJTDEBSA-N	358.405	5.043	50	40	FKGB	
BrCCCCCCCCn1c2ccccc2c2ccccc21	205061135	DNLQXAKEJJPELB-UHFFFAOYSA-N	358.323	6.530	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc(Cl)c1	408749223	LRDVTBFZGYVYKS-SRZZPIQSSA-N	359.212	5.017	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(F)cc1	408785194	ZNEHZKFLRTYIKS-ZROIWOOFSA-N	367.763	5.501	50	40	FKGB	
CCCCCCC(=O)N/N=C/c1cc(C(C)(C)C)cc(C(C)(C)C)c1O	4700823	HATGGDULVKMZGZ-HZHRSRAPSA-N	360.542	5.408	50	40	FKGB	
CC(C)(C)c1cc(/C=N\NC(=O)CC2CCCCC2)cc(C(C)(C)C)c1O	104181504	SMDLLXGCSMIKBE-IWIPYMOSSA-N	372.553	5.408	50	40	FKGB	
N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)cs1	2282311	VMBAPJIIDVBITM-JLHYYAGUSA-N	372.280	6.093	50	40	FKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	4544439	CJRGIIWBXSTQDW-DNUPASAZSA-N	368.480	5.595	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	6564776	ASKATSXYZZXTRX-ZCQLHAAUSA-N	361.445	5.121	50	40	FKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)CCl	72400246	SQEOYUUMBWVKDM-GDCKJWNLSA-N	374.993	6.167	50	40	FKGB	in-vitro
CCCCCCCCC[C@H](I)CC(F)(F)F	103528218	ZPRNSAPAXDXUKH-NSHDSACASA-N	350.206	5.883	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(Br)cc1	409071413	JUYXKJZJWXPMEO-WJDWOHSUSA-N	371.253	5.253	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc([N+](=O)[O-])c1	6224925	VDFNSSIFFHCBQA-PTNGSMBKSA-N	350.761	5.572	50	40	FKGB	
C[C@@H](Sc1ccc2ccccc2c1)C(=O)C(C#N)=C1Nc2ccccc2N1	7838539	BGNWAVKRGJISRW-CQSZACIVSA-N	371.465	5.162	50	40	FKGB	
N#C/C(=C\c1csc(C2CC2)n1)c1nc(-c2c(F)cccc2F)cs1	84339148	SDRPTMNHOBRWGH-IZZDOVSWSA-N	371.437	5.486	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1Cl	408590309	OUGIPHBTAZJIIN-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1OC	4175024	RUJGLNGBVMHLSV-GDNBJRDFSA-N	366.417	5.031	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cccc2ccccc12	5777598	OTCUWMIWKPHLRZ-XNTDXEJSSA-N	367.235	5.692	50	40	FKGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)c1nc2ccccc2s1	9189872	AICNSAMPAVUEAJ-KAMYIIQDSA-N	372.409	5.059	50	40	FKGB	
C=CC(=C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	77302861	WYXULKDSWKWDSE-UHFFFAOYSA-N	357.457	5.503	50	40	FKGB	in-vitro
CCCCCCCCC(=O)NNc1nc(-c2ccc(OC)cc2)cs1	3768012	FYWYPWMHWXYHGU-UHFFFAOYSA-N	361.511	5.012	50	40	FKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3)o2)cc1	5521520	KKSYGCWJOBAWGG-ZVHZXABRSA-N	364.420	5.147	50	40	FKGB	
N#C/C(=C/c1ccccc1Br)c1nc(-c2ccccc2)cs1	6496241	CMPAOWPJMDZWQB-GDNBJRDFSA-N	367.271	5.637	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc4c(c3)OCO4)n2)cc1C	4175134	VUEFKIHFGDBQLU-CAOOACKPSA-N	360.438	5.220	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)cc1	6441577	WVBOMTMWRWTOMC-SDNWHVSQSA-N	367.861	5.449	50	40	FKGB	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccc(Br)c2)cc1	33643150	ZJKPFIPICCNKFV-BOPFTXTBSA-N	354.247	5.191	50	40	FKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C	408743869	VUEPASKGBILMPM-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1C1CCCC1	408789507	LRKZYFZLVXOSPH-PDGQHHTCSA-N	358.407	6.303	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408801742	BIEFEKZUFKBCPE-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
O=C(CCCCCBr)c1ccc(OC(F)(F)C(F)F)cc1	575361354	YTIWAQLDYZOTGM-UHFFFAOYSA-N	371.168	5.061	50	40	FKGB	
CCc1cc(C(=O)c2ccc(C(C)(C)C)cc2)c(NC(=O)CCl)s1	923026	HWXXXWJLUBGBCJ-UHFFFAOYSA-N	363.910	5.016	50	40	FKGB	
C[C@H](Br)c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	1699252	SUPQTZJFEFOIPN-REOHCLBHSA-N	357.289	6.410	50	40	FKGB	
N#CC(=C(SCc1ccccc1)SCc1ccccc1)C(F)(F)F	2245120	ZNZWDECZBNNGOY-UHFFFAOYSA-N	365.445	6.151	50	40	FKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1Cl	5679607	QXMSIBHNJWGFFW-CSKARUKUSA-N	351.620	5.192	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408790974	ZTXWDZXVNYOXOU-XMHGGMMESA-N	370.452	5.401	50	40	FKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	3314527	YLINHMFHNUEBSQ-XSFVSMFZSA-N	368.436	5.641	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCC(C)C	6355035	TVKBYFGPUCAFQT-KGENOOAVSA-N	371.480	6.337	50	40	FKGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c1	13029425	NHAZUBGWKBWFAO-LICLKQGHSA-N	362.454	5.200	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408793933	HCPMWTFQKSKXOL-GXDHUFHOSA-N	373.239	5.104	50	40	FKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1ccc(F)cc1	408876094	JITJMYZSIBSWPK-CPNJWEJPSA-N	374.390	5.101	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(C)cc2)c1C	408966437	LRCAXTWEJVRIII-IWIPYMOSSA-N	374.488	5.121	50	40	FKGB	
CC(C)(C)[Si](C)(C)Oc1cc(CO)cc(O[Si](C)(C)C(C)(C)C)c1	196860002	IRILFJSTRCNMOB-UHFFFAOYSA-N	368.666	5.947	50	40	FKGB	in-vitro
Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408579041	CLMQYPMBZAIKCN-FYJGNVAPSA-N	359.856	6.292	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)cc1Cl	4775418	RCXGFFQLEQBPRZ-JJFYIABZSA-N	373.239	5.326	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1F	33383213	NDABQVHHFIETST-LCYFTJDESA-N	367.763	5.501	50	40	FKGB	
O=C(CCSc1ccccc1)NN=C1CCCCCCCCCCC1	408727944	SLWRIDQTMMOBJT-UHFFFAOYSA-N	360.567	5.946	50	40	FKGB	
Cc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1	409201601	MXBKBRSVFPMCFF-WYMPLXKRSA-N	372.346	5.038	50	40	FKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1cccc(Cl)c1	6240956	AGTQKOVACRMFQL-JXMROGBWSA-N	351.620	5.192	50	40	FKGB	
O=C(NN=C1CCCC1)c1cc(-c2ccccc2Cl)nc2ccccc12	6297941	QDDKAGQUIGZDOZ-UHFFFAOYSA-N	363.848	5.215	50	40	FKGB	
CC(C)c1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1	20248741	MHAUCSMKWYCGGA-FYJGNVAPSA-N	360.910	5.096	50	40	FKGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)c1sc2cc(Cl)ccc2c1Cl	101121989	UMJXUHFQIOWMBT-XHHZEXJWSA-N	367.301	5.360	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)cc1	408756898	YDXVDBOLYOQPSI-STZFKDTASA-N	360.888	6.374	50	40	FKGB	
O=C(CCCCCBr)c1ccc(Cl)c(C(F)(F)F)c1	575360865	KCKLYLBFTYRDGW-UHFFFAOYSA-N	357.597	5.497	50	40	FKGB	
Cc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1	4996470	WUTMFLYBHTZQTA-XNTDXEJSSA-N	371.292	6.490	50	40	FKGB	
C/C(=N\NC(=O)CNc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1	12362316	UNEPNHGKIAFMIF-YZSQISJMSA-N	373.500	5.090	50	40	FKGB	
CCCCCCCCCCCCCCCCC[S@@](=O)[S@@](=O)O	104061844	GMVXIVZTTSHRTH-OAQYLSRUSA-N	352.606	5.743	50	40	FKGB	
O=C(CSC1c2ccccc2-c2ccccc21)NN=C1CCCCCC1	408830059	LHLHFLLYPKSNNC-UHFFFAOYSA-N	364.514	5.316	50	40	FKGB	
CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CCl	72400244	GQUYTVRTHVOZHT-QJRAZLAKSA-N	374.993	6.167	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)cc1[N+](=O)[O-]	408599397	UGQRHPIKZQVPOE-YBEGLDIGSA-N	364.788	5.881	50	40	FKGB	
O=[N+]([O-])c1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2Br	4975120	LEWZDNGSWRPYHA-CYBMUJFWSA-N	359.006	5.366	50	40	FKGB	
CCCCOc1ccc2ccccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1	15008881	YIPSFKYMCACSJZ-OBGWFSINSA-N	367.452	5.959	50	40	FKGB	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)cs2)cc1	60421514	RLMDOZASWMLTKW-WOJGMQOQSA-N	373.481	5.281	50	40	FKGB	
CCCCCCCCC[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	102414473	XJNFXPNNSALNCC-OAHLLOKOSA-N	366.461	5.104	50	40	FKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)F	103528291	CVTAKOVDCUJNCN-LBPRGKRZSA-N	364.233	6.273	50	40	FKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	5007561	YTFCWTCPKFLDCJ-YBFXNURJSA-N	374.465	5.416	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)cc1	33349930	CXGPWXPOJAANRQ-VBKFSLOCSA-N	362.410	5.712	50	40	FKGB	
Cc1ccc2c(c1)C1=C(SS[C]1SC(=O)C(C)C)C(C)(C)N2C	334157769	GAGZWIPARKPQIA-UHFFFAOYSA-N	364.581	5.735	50	40	FKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	408579888	LBRKABWXWLPKLN-OQLLNIDSSA-N	362.256	5.855	50	40	FKGB	
CCOc1cc(C)c(/C=N/NC(=O)Nc2ccc(Cl)cc2)cc1C(C)C	408854107	XUNXVBOLLDJSBN-WSDLNYQXSA-N	373.884	5.326	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(C#N)cc1	409368362	ZRUIZHITDZYODZ-MTJSOVHGSA-N	370.839	5.855	50	40	FKGB	
CC(C)c1ccc(N/C(S)=C(\C#N)c2nc3ccccc3s2)cc1	12616766	BHYQZNRXIIXMMC-SDXDJHTJSA-N	351.500	5.654	50	40	FKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc(Cl)cc1Cl	6329509	SWJMAFRTJWREFV-UHFFFAOYSA-N	369.336	6.384	50	40	FKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)cc1Cl	408580871	SFFSXYBIKMMFTD-YCRREMRBSA-N	359.039	6.070	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Cl	409016232	SWMZPOKPKOYMFC-FBKCMUNRSA-N	365.864	5.766	50	40	FKGB	
Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccc(C#N)cc3)c2C)c(C#N)c1C	409368079	MUJWDBNGZPILQW-FBHDLOMBSA-N	366.424	5.112	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1C#N)c1cccc(F)c1	409391514	IIVHDJOZALNYNU-MTJSOVHGSA-N	354.384	5.341	50	40	FKGB	
CC(C)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1	694394	ATIBLWYNXXCAFE-ZVHZXABRSA-N	356.425	5.473	50	40	FKGB	
Br[C@H]1C2=C(c3ccccc31)[C@H](Br)c1ccccc12	1712283	RZKMCXMLBYMRQA-HZPDHXFCSA-N	362.064	5.497	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OC)c(Cl)c2)cc1OC	408580700	RAMVAXQEDAXFHS-AWNIVKPZSA-N	364.228	5.083	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(Cl)cc1	1218559	GXCGWIXKYUFHDP-PTNGSMBKSA-N	350.761	5.572	50	40	FKGB	
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2ccc3cnc(Cl)nc32)CC1	575419730	JFOZELAKWDLAAO-SHTZXODSSA-N	365.981	5.590	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1	59133432	PUXBNQKVSFMWSY-RCCKNPSSSA-N	368.436	5.120	50	40	FKGB	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OP(=O)(c1ccccc1)c1ccccc1)C2	104131687	JEQQPNAFLBWHEX-ZNLUXHQJSA-N	354.430	5.147	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)c1nc3ccccc3[nH]1)[C@@H](C)CC(C)(C)N2C	208235878	GIKFSXMNCFTSKQ-GYXHFJGISA-N	370.500	5.658	50	40	FKGB	
C[C@H]1CCc2nc(/C(C#N)=C/c3cccc(Oc4ccccc4)c3)sc2C1	5577941	FWLGZHADLWXSOH-HZGBGQKMSA-N	372.493	6.124	50	40	FKGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCc1cccc2ccccc12	4510973	MPRMYCASOBSRHY-UHFFFAOYSA-N	354.409	5.248	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(C)C)cc3)n2)cc1	100839840	NWTPZGRYSLVFQE-UYRXBGFRSA-N	359.498	6.219	50	40	FKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	1242192	DRSLIVMGTUSXJN-LDADJPATSA-N	359.454	5.298	50	40	FKGB	
CC(C)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc1	5413471	IIMOJNXDAQOCEM-PCLIKHOPSA-N	372.468	5.006	50	40	FKGB	
C[C@@H]1CCc2nc(/C(C#N)=C\c3cccc(Br)c3)sc2C1	5673000	XEWPIYXPOIVZIP-JYVXZMADSA-N	359.292	5.095	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccccc1	12631201	JYSBTDSCOKJLTM-BKUYFWCQSA-N	355.393	5.028	50	40	FKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc21	208203614	JBLVAWZBTQOICR-PACYTGELSA-N	350.893	6.126	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(Br)cc3)[nH]c2cc1C	408544686	WQNZGUIYNQXTAM-NTEUORMPSA-N	352.235	5.006	50	40	FKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3)o2)cc1	4032025	JAQFJIZMKCPZAP-NBVRZTHBSA-N	372.424	5.199	50	40	FKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1c2ccccc2cc2ccccc12	4412653	IXFRPVCPHKOLBX-GEWJKMRUSA-N	356.469	5.269	50	40	FKGB	
Cc1cccc(/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1	44827306	FLGBTIVMPPMATG-OVCLIPMQSA-N	371.292	6.490	50	40	FKGB	
Cc1cc(/C=N\NC(=O)c2ccccc2)c(C)n1-c1cccc2ccccc12	409002120	SNOLRJLJDKZSSS-XYGWBWBKSA-N	367.452	5.011	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1OCC	409359645	XFRFMKYBVIXZRA-YBEGLDIGSA-N	372.251	5.468	50	40	FKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC(C)C	11690662	IMZRHDRAAXPIAX-XNTDXEJSSA-N	350.443	5.156	50	40	FKGB	
CC(C)c1ccc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1	36046201	QZKNNAXWHVAALV-SBNROJICSA-N	362.517	5.361	50	40	FKGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc3ccccc13)[C@@H]2Br	100848707	HSIUCQNHPABEPI-UXPWSPDFSA-N	372.306	5.368	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(N)=S	408542869	LLWCCGWUKJDYRH-UNOMPAQXSA-N	367.477	5.036	50	40	FKGB	
COc1ccc(C(=O)N/N=C\c2c3ccccc3c(C)c3ccccc23)cc1	408995233	BATURIXOOQUQEG-MYYYXRDXSA-N	368.436	5.074	50	40	FKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccccc1	409367643	CBYCNDBDJVECIM-XKZIYDEJSA-N	366.420	5.210	50	40	FKGB	
Cc1cc(C(=O)NN=C2CCCCCCCCCCC2)ccc1[N+](=O)[O-]	4144968	WCSPXBGZFFQHNI-UHFFFAOYSA-N	359.470	5.294	50	40	FKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(C)cc1	409007568	PFFFNDBYLNGHBG-JLPGSUDCSA-N	360.457	5.091	50	40	FKGB	
C/C(=N\NC(=O)c1ccccc1)[C@]1(C)CC2=C(CCCC2(C)C)C[C@H]1C	4689733	LJFIFYWCVHSVRF-ZOQZNHNYSA-N	352.522	5.735	50	40	FKGB	
N#C/C(=C/c1ccc(F)c(Br)c1)c1cccc2ccccc12	6496594	JPFLZRPMWYKIDO-GDNBJRDFSA-N	352.206	5.806	50	40	FKGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc([C@@H](C)CC)cc2s1	20132692	TVHLFHLDOWTGBY-JQWIXIFHSA-N	369.328	5.312	50	40	FKGB	
O=C(Nc1cccc2ccccc12)NN(c1ccccc1)c1ccccc1	6344401	KLPQSFVWFKFHQE-UHFFFAOYSA-N	353.425	5.715	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCC	408582425	OCCIUZPVWDLVLZ-MHWRWJLKSA-N	357.837	5.210	50	40	FKGB	
CCCCCC1=CCC/C1=N\NC(=O)COc1ccc(C(C)(C)C)cc1	6427457	GGGCRRLUNCGTIE-BSYVCWPDSA-N	356.510	5.136	50	40	FKGB	
Cc1cc(C)cc(OCc2ccc(/C=C(\C#N)c3nc(C)cs3)o2)c1	6922061	HBWTXVZGFUUFJZ-CXUHLZMHSA-N	350.443	5.305	50	40	FKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(C)C	6959657	MJIPZMWDVNKBKS-GZTJUZNOSA-N	368.864	5.235	50	40	FKGB	
CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	100247353	ILCCOHGMSKJSGW-NTCAYCPXSA-N	365.433	5.324	50	40	FKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	409123272	BLSXRLGNCMNEEA-CSUZIONRSA-N	368.546	5.314	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc(-c4ccco4)cs3)o2)cc1	4291958	CATILBIRMISJEL-LFIBNONCSA-N	358.422	6.036	50	40	FKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc2ccccc12	5515473	QUNNHTOVZIBNIL-KOUDTOEKSA-N	368.889	5.124	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1CC(F)(F)F	5578304	LBOFLOUQEALKEX-RIYZIHGNSA-N	361.392	5.341	50	40	FKGB	
CC[C@@H](C)/C(C)=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	5784297	HFEXZRLJBODHGB-LIIAEISMSA-N	372.896	5.379	50	40	FKGB	
CCCCCCCCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12	8457084	YLKWCKNZAFOJDB-HKOYGPOVSA-N	368.521	5.916	50	40	FKGB	
O=C(NN(c1ccccc1)c1ccccc1)c1ccccc1C(F)(F)F	14862517	AFTWJKFMXULUDT-UHFFFAOYSA-N	356.347	5.189	50	40	FKGB	
CCOc1cc(Cl)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	33665778	DUHNQTHZQCDXAU-ODLFYWEKSA-N	363.844	5.965	50	40	FKGB	
CC1CCC(=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1	1064793	FBMRFCLJGBVYNC-UHFFFAOYSA-N	373.319	6.060	50	40	FKGB	
S=c1nc(C(Cl)Cl)nc(-c2ccccc2)n1Cc1ccccc1	2686668	FBHCPMCEJONYHJ-UHFFFAOYSA-N	362.285	5.199	50	40	FKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)NCc1ccccc1	5773403	HABRJZKDWRJZKQ-QNGOZBTKSA-N	362.432	5.216	50	40	FKGB	
N#C/C(=C/c1cccc(Cl)c1Cl)c1nc(-c2ccccc2)cs1	6496240	PILYSSNITZPLRT-ZROIWOOFSA-N	357.265	6.181	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c(C)c1	6964993	MEUAQFUYHWLKOW-BKUYFWCQSA-N	371.440	5.683	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1	33937811	LFMKEGDIJBNAKP-CRQYIDQLSA-N	364.876	5.048	50	40	FKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1	82375062	KYSKEFSXRLXDCG-PXLXIMEGSA-N	358.869	5.063	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	409209257	IJQSUVOMAIDLPP-JXAWBTAJSA-N	358.422	5.810	50	40	FKGB	
Cc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(C)cc2)cc1	705952	JQRHIAJQKBGRFJ-POEBIKTISA-N	368.480	5.633	50	40	FKGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)C(C)(C)C	20247426	PNDTUBLSTPOKSP-HYARGMPZSA-N	352.503	5.028	50	40	FKGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c1	100860103	QNTSCZOJUYZWKV-LFIBNONCSA-N	363.417	5.128	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)c1	208206222	MXMZKTYIWIWGQZ-LSPINASFSA-N	373.500	5.263	50	40	FKGB	
C[C@]12CC[C@H](Cl)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC21OCCO1	2049238353	JWVPKJKRSPZPMN-DWIKVQACSA-N	350.930	5.300	50	40	FKGB	
c1ccc(P(c2cccc3ccccc23)c2cccc3ccccc23)cc1	100214928	XSDTYROQWQUTQM-UHFFFAOYSA-N	362.412	5.751	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1O	4175009	UMKVPTOCUKTQNC-DHDCSXOGSA-N	366.417	5.118	50	40	FKGB	
CCCCCCCCCCCCCCCC/C=C\[C@@H]1CC(=O)OC1=O	100028627	KAYAKFYASWYOEB-ZGAGMJPPSA-N	350.543	6.504	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC	6410334	JYDQORZPTOVVOJ-FOWTUZBSSA-N	364.470	5.548	50	40	FKGB	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C\c3ccc(C)cc3)n2)cc1	33496986	TZQCGOMYUQLGBS-UNOMPAQXSA-N	373.481	5.227	50	40	FKGB	
CCCCCCCCCCCCCCCCC/C=C1\CC(=O)OC1=O	104355746	ANGNOQTWNFQFLI-CZIZESTLSA-N	350.543	6.648	50	40	FKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C\C#N)CC[C@H]4[C@@H]3CC[C@@H]2C1	118927628	NBLNYSBYNKNUGO-IORHJZEKSA-N	355.522	5.411	50	40	FKGB	
CCN(CC)C(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	858300	XEGPCZZJFKVXCC-FMIVXFBMSA-N	363.244	5.029	50	40	FKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(Cl)cc1	3435681	CLTRBVFDFTVINN-UHFFFAOYSA-N	350.032	5.057	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccccc3)[nH]c2c1	33402149	GEGXIEWUFBRWGB-ZHZULCJRSA-N	365.436	5.515	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	408585785	INZYYVUGKPCAEZ-WZUFQYTHSA-N	353.592	5.619	50	40	FKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Cl)c1OC	5129949	DKBWDKBJJOPGHE-KPKJPENVSA-N	356.834	5.031	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)cc1Cl	408985508	KVFXTAKUDKTDKA-SDQBBNPISA-N	365.647	5.501	50	40	FKGB	
CCCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1nc2ccccc2[nH]1	16678160	ZYDSGWOJQCKYEQ-NBVRZTHBSA-N	374.488	5.262	50	40	FKGB	
Cc1ccc(-c2nc(C(Cl)Cl)n3nc(-c4ccccc4)cc3n2)cc1	101425431	SEUVKALCCPIMPV-UHFFFAOYSA-N	369.255	5.243	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408579705	JRXRPEZTGVYDLL-NTEUORMPSA-N	362.256	5.855	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)Cn1cnc2ccccc21	408691732	OAXJKCVQARIDBJ-STZFKDTASA-N	365.436	5.222	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl	409010927	DSIVHNKSPGRZAX-OJNRTJSBSA-N	351.837	5.458	50	40	FKGB	
CC(C)n1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409175666	UHJGFZAYDGRRSG-LSHDLFTRSA-N	374.271	5.293	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	1041592	WVFSGMDSYBOAEP-MOSHPQCFSA-N	356.381	5.238	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(OC(C)=O)cc3)n2)cc1	5007563	UJAYZBNSVSRKBB-XDHOZWIPSA-N	374.465	5.362	50	40	FKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	6552895	BDGWNPYROMJCKZ-NBVRZTHBSA-N	370.408	5.033	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])n2)cc1	6359268	YCSVKONGCBEHHS-GZTJUZNOSA-N	361.426	5.345	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(C)cc3)cc2)cc1	8372071	PCVQQTWZWKWTLX-HZHRSRAPSA-N	360.482	5.219	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)cc1Cl	33786712	GZICBGWIRVZRHJ-NHDPSOOVSA-N	371.871	5.992	50	40	FKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)c3ccc(F)cc3)cc21	208245872	VNUWAJLCVMZRSF-KDVQLTRESA-N	368.883	6.265	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)c1	408766965	XWQHAHANPQJZIQ-SSZFMOIBSA-N	360.438	5.285	50	40	FKGB	
O=C(O)c1ccccc1/N=N/c1ccc(N(CCCl)CCCl)cc1	4773890	UZVFCQFALGLBHY-QZQOTICOSA-N	366.248	5.084	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1F	6251712	KZOGEGAFGGGWFE-AQTBWJFISA-N	363.819	6.122	50	40	FKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)cc1	20243938	QHBYTZWKZHLUDR-WSDLNYQXSA-N	374.937	5.021	50	40	FKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(C)cc2)nc1-c1ccccc1	4980895	VSBILRHYCNBGBM-QGOAFFKASA-N	373.481	5.531	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(C#N)cc4)o3)nc2c1	9263385	GGIGPRJQPLODQC-GZTJUZNOSA-N	350.381	5.067	50	40	FKGB	
CC(C)(c1ccc(O[Si](C)(C)C)cc1)c1ccc(O[Si](C)(C)C)cc1	195785434	QLAHMUJINXIWJF-UHFFFAOYSA-N	372.657	6.440	50	40	FKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)C(=O)C(C)(C)C	4966283	SZGGUZZGUNJLAU-FMIVXFBMSA-N	362.260	5.010	50	40	FKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	7348019	CRGKEYGLARLNMC-LGMDPLHJSA-N	361.470	5.358	50	40	FKGB	
CSc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1	695176	WNPWXTUDMLSIFX-LPYMAVHISA-N	360.438	5.072	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc12	5744869	PPTCBTAANRHRIM-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
CCOc1ccc(C[C@@H](c2ccccc2)N(CCCl)CCCl)cc1	6411273	NXQKEEGLPJLXKH-FQEVSTJZSA-N	366.332	5.149	50	40	FKGB	
CCCCCCCCCCCC[C@@H](CCl)OCCOCCCl	100927921	PAVPVFJDNDDVAZ-SFHVURJKSA-N	355.390	6.177	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Cl	408540997	APDKNBOBEKCNNY-AUWJEWJLSA-N	362.212	5.154	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(OC)c(OC)c1	408580199	BBYAQNVSOXRKKI-XMHGGMMESA-N	373.452	5.710	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)c1ccc(Cl)cc1Cl	409101944	ZJFLJAMYXQSMPE-GHXNOFRVSA-N	352.648	6.110	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3)n2)cc1OC	1230836	JVGFOOQEETWGPN-XICJKMHVSA-N	374.465	5.448	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccccc3F)n2)cc1OC	4806444	VDJJFOITFVFTJX-DHDCSXOGSA-N	366.417	5.031	50	40	FKGB	
COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccc(Cl)cc1Cl	22124288	CGVPMXWYNAXENV-XVNBXDOJSA-N	371.647	5.360	50	40	FKGB	
C#CCOc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC	408548913	NGQMOLTXVOKYEA-HMAPJEAMSA-N	353.421	5.315	50	40	FKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(O)ccc2ccccc12	408896693	ZBRXVGOERZWWRV-XNTDXEJSSA-N	362.816	5.053	50	40	FKGB	
Cc1ccc([C@@H]2C=C(c3ccccc3)OC(c3ccccc3)=C2C=O)cc1	3208905	CTLYZXCMYCLNCV-QFIPXVFZSA-N	352.433	5.760	50	40	FKGB	
C/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1cc(Cl)ccc1Cl	12531591	CFSLJPWUNWXHAC-KEBDBYFISA-N	367.301	5.088	50	40	FKGB	
CCOc1ccccc1/C=N\NC(=O)c1sc2cc(C)ccc2c1Cl	34887899	GUOWCNJFJFCYDK-NHDPSOOVSA-N	372.877	5.026	50	40	FKGB	
CCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CCC	97950998	BWGNZPRLPGPTFU-UHFFFAOYSA-N	352.603	7.606	50	40	FKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(C)cc1	409390607	GCOQAFUDIPAUJC-MTJSOVHGSA-N	373.427	5.786	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)c1ccc2ccccc2c1	33416636	OFPBGCPABSZURH-MOHJPFBDSA-N	374.487	6.657	50	40	FKGB	
Cc1cc2c(cc1/C=C(\C#N)c1ccccc1)[C@H](C)CC(C)(C)N2C(C)C	223599502	FNBOMKZNFWUDTF-PPRFWAEMSA-N	358.529	6.560	50	40	FKGB	
CC/C(=N/NC(=O)c1ccc(C(C)(C)C)cc1)C12CC3CC(CC(C3)C1)C2	4651679	LABXWVRXUJOZDE-DAFNUICNSA-N	366.549	5.696	50	40	FKGB	
CC[C@H](C)c1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1	20133423	WRWBADZKIWILNK-HZMBPMFUSA-N	369.328	5.168	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	2632411	WOJJLNFDKDKMGT-OQLLNIDSSA-N	359.256	5.662	50	40	FKGB	
CC(C)COC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	5689965	XAWNILOIPUROQT-QPEQYQDCSA-N	364.228	5.360	50	40	FKGB	
COc1ccc(/N=c2/scc(CCl)n2[C@H](C)c2ccccc2)cc1	100349420	LXLXMZJXZVEKJT-HFGXJBEUSA-N	358.894	5.139	50	40	FKGB	
Cc1cccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1	408787124	RUBMASQCGYHXDH-BUVRLJJBSA-N	374.509	5.192	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1F	33381857	IKEMVLBFKISVNM-PDGQHHTCSA-N	374.371	5.377	50	40	FKGB	
C=C(C)[C@@H]1CC=C(C)/C(=N\NC(=O)c2sc3ccccc3c2Cl)C1	100009477	VBBQSENYELONPP-QQJFDMGQSA-N	358.894	5.573	50	40	FKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1	108140676	IPWGDMXBPQAYAE-MOHJPFBDSA-N	366.505	5.498	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C)c3C)n2)cc1C	4063752	GGSNMAHFVPHXRV-XDHOZWIPSA-N	359.498	6.020	50	40	FKGB	
CC(C)(C)C1CCC(=NNC(=O)c2sc3ccccc3c2Cl)CC1	5900902	NSILEVFZQUZEID-UHFFFAOYSA-N	362.926	5.877	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)o1	59133399	GCOXJYKCIRXTBF-VBKFSLOCSA-N	362.816	5.454	50	40	FKGB	
ClCCN(CCCl)CCN1c2ccccc2Sc2ccccc21	95706092	UWBCGYAVYMFZRK-UHFFFAOYSA-N	367.345	5.069	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)c(Br)c1	15013688	TZHZYCOXJVNDSW-VBKFSLOCSA-N	364.242	6.082	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C(C)C)n2)cc1C	100839871	JOQLMMNORJBVPP-UYRXBGFRSA-N	373.525	6.527	50	40	FKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1	408542744	NROGJDVTPDLKNC-HMAPJEAMSA-N	369.420	5.336	50	40	FKGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl	408579251	FIXGIMKWYVKTOB-MDWZMJQESA-N	362.643	5.723	50	40	FKGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)C1	672328	UDYAOMGDXXINNT-QTANXNOISA-N	358.485	5.223	50	40	FKGB	
CC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2669692	WZKOXIOKZBJVJE-ZWSXMNCCSA-N	364.228	5.502	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C(C)C	4964621	PPTLYGBFNRBFBE-KGENOOAVSA-N	360.910	5.394	50	40	FKGB	
CCCCOc1cccc(-c2cc(C(=O)Cl)c3cc(Cl)ccc3n2)c1	6042747	QEYISGJRPHISOI-UHFFFAOYSA-N	374.267	6.113	50	40	FKGB	
Cc1ccc(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1C	59515732	SJXGHPRJGTZECB-UHFFFAOYSA-N	371.525	5.019	50	40	FKGB	
CC[C@@H](C)n1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)c2ccccc21	107627655	UXVHAVBCSMFFOB-WISAJEAXSA-N	354.457	5.861	50	40	FKGB	
COc1ccc(-n2cccc2/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1	408954379	SSFWXCSDCACLCH-SSZFMOIBSA-N	368.358	5.569	50	40	FKGB	
N#C/C(=C/c1c(-c2ccccc2)nc2sccn12)c1nc2ccccc2[nH]1	6909429	UOVRYWCCLRJKIF-QINSGFPZSA-N	367.437	5.003	50	40	FKGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)c1ccc(C(F)(F)F)cc1	408962291	YCYBTWALJXNJPK-AQTBWJFISA-N	356.391	5.678	50	40	FKGB	
CCCCCCCCOc1ccccc1/C=N/NC(=O)c1ccccc1	3174509	WSPFEIJIJGGEDQ-PTGBLXJZSA-N	352.478	5.190	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc2ccccc2[nH]1	4599956	FNOIRSNOZXXLLK-MFKUBSTISA-N	363.420	5.238	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)nc2c1	4812877	RJFWBYYJHVKLGK-MHWRWJLKSA-N	373.843	6.157	50	40	FKGB	
CCCC/C(C)=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	5863388	POGCSLMZGWBFBN-XIEYBQDHSA-N	374.484	5.715	50	40	FKGB	
N#C/C(=C/c1ccc(I)cc1)c1cccc(Cl)c1	408598485	BIDAQRGDJICCPS-JYRVWZFOSA-N	365.601	5.009	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)c1	408691594	HFIVLYPUQITLRJ-MOSHPQCFSA-N	366.468	5.359	50	40	FKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	408818502	VSGAUSZJEWBQJN-MHWRWJLKSA-N	354.837	5.018	50	40	FKGB	
Cc1cc(C)c([C@H](O)[C@@H](Br)c2c(C)cc(C)cc2C)c(C)c1	5538574	YAIQODWEFBYQDY-PMACEKPBSA-N	361.323	5.707	50	40	FKGB	
COc1ccc(-c2onc3ccc(S(F)(F)(F)(F)F)cc23)cc1	103862667	CHMHCGAHUXHVNY-UHFFFAOYSA-N	351.296	6.161	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC	408543836	RRVGLDRIMNXJRT-GZTJUZNOSA-N	361.445	5.041	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)c1ccc(Cl)cc1	408581553	XWBGUPRLMPQBAQ-CPNJWEJPSA-N	363.819	6.122	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(F)cc1	1106432	KGEHWJGQPBXGLJ-KAMYIIQDSA-N	361.401	5.510	50	40	FKGB	
O=[N+]([O-])c1ccc(/N=N/c2ccc(N(CCCl)CCCl)cc2)cc1	4774300	QUUTZFNLPATCQR-FMQUCBEESA-N	367.236	5.294	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C(C)C)n2)cc1	100839872	NGLTUVKAZVJYCK-RGEXLXHISA-N	373.525	6.472	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(F)c2)o1)c1cccc2ccccc12	409009403	FIAXHCOVPUJEIK-ZVHZXABRSA-N	358.372	5.003	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1cccc(Br)c1	409009651	BAJXMGPFRWKRDN-PTNGSMBKSA-N	368.205	5.912	50	40	FKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccsc2)[C@@H]1c1ccsc1	1032120	KRRIHIXTTXDORR-YJJOXIQCSA-N	352.484	5.139	50	40	FKGB	
CCCCCCCCC[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3ccccc3)c21	3186151	KDLIICVHISRKHO-QGZVFWFLSA-N	364.493	5.387	50	40	FKGB	
N#C/C(=C/c1ccc(O)c(Br)c1)c1cccc2ccccc12	6244057	WNTVSEZRLJTNEY-GDNBJRDFSA-N	350.215	5.372	50	40	FKGB	
N#C/C(=C/c1ccccc1I)c1ccc(Cl)cc1	409345504	JICBQVOKHHZNNC-LCYFTJDESA-N	365.601	5.009	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	409394093	VNJNPXPRJPPHPH-ZDLGFXPLSA-N	361.376	5.206	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccccc1F	1707898	IIJVGXLJRBISAT-LPYMAVHISA-N	353.268	5.169	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2Cl)cc1	1912719	MACVPLSZTCLDCW-SFQUDFHCSA-N	368.864	5.291	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)ccc1O	12776595	UMKVPTOCUKTQNC-OQLLNIDSSA-N	366.417	5.118	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	408533700	RQPPSWSKTWMIOL-ATVHPVEESA-N	368.864	5.373	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(OCC)c1	408588392	VURPJWBGDFKETQ-DHDCSXOGSA-N	362.256	5.855	50	40	FKGB	
O=C(CCCCCBr)c1cc(OC(F)(F)F)ccc1Cl	575361513	NNIZHSVRDBSDSD-UHFFFAOYSA-N	373.596	5.377	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1cccc(F)c1	5174493	JKGSXNQEKBIBJY-GZTJUZNOSA-N	373.456	5.907	50	40	FKGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cccc2ccccc12	33789624	WLBAECPFHMSNGZ-KOEQRZSOSA-N	352.437	5.076	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	209490912	AFTUIDAGVHYHBN-KGENOOAVSA-N	359.856	6.292	50	40	FKGB	
C/C(=N\NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1cccnc1	18098475	XPCDAMNNRAFTPD-DPWLSMTKSA-N	358.405	5.043	50	40	FKGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(C)c1nc3cc4ccccc4cc3nc12	108380806	PUTRYMYPKQATCU-GKCIPKSASA-N	367.290	5.333	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3Cl)n2)cc1	6477763	CCSRDOZRBLHCJE-DHDCSXOGSA-N	371.292	6.490	50	40	FKGB	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1CCCC[C@@H]1CO	102152780	DYEKOCOQMUNRSV-ZWNOBZJWSA-N	374.375	5.017	50	40	FKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1C1CCCC1	408777702	GIPQYUMSKQEVOW-BOPFTXTBSA-N	367.880	5.419	50	40	FKGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791626	ZTZWVAKNODVCLV-RCCKNPSSSA-N	368.436	5.120	50	40	FKGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)Sc1nc2ccccc2s1	6238115	NBSBKTZXHKYBTN-VZUCSPMQSA-N	372.858	5.335	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(Cl)cc1Cl	409103520	CBZLKTIUVPNKIS-ZROIWOOFSA-N	361.247	5.797	50	40	FKGB	
O=C(O)c1cccc(/N=N/c2ccc(N(CCCl)CCCl)cc2)c1	4773884	QFZLVFBSTFNLJL-QZQOTICOSA-N	366.248	5.084	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3)n2)cc1	12276335	FEXRLZQUDJKBQI-GDNBJRDFSA-N	352.846	5.536	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc12	408735518	UANVDSAPDYCFKV-RVDMUPIBSA-N	362.816	5.047	50	40	FKGB	
ClC(Cl)(Cl)P(Cl)(Cl)(Cl)C(Cl)(Cl)Cl	95670794	UYGCDBRWRPXCTD-UHFFFAOYSA-N	374.073	6.657	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)Cn1cnc2ccccc21	408691491	AOPFNEWSXCTYCW-PTNGSMBKSA-N	359.816	5.557	50	40	FKGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1ccccn1	7586922	JBCJEGBZWSGQQU-XNTDXEJSSA-N	369.255	5.006	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(F)cc2)cc1Br	15013749	VTGWPNVSUYFHRX-XNTDXEJSSA-N	358.210	5.217	50	40	FKGB	
N#C/C(=C\c1ccc(N2CCCC2)cc1)c1cccc(Br)c1	1149082	UJDVGEZWVKXEAY-SFQUDFHCSA-N	353.263	5.113	50	40	FKGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)c2ccccc2F)cc1OCC	6892274	YUHXNBABQMVIJO-RGEXLXHISA-N	361.416	5.029	50	40	FKGB	
Cc1ccc(NC(=S)P(=O)(c2ccccc2)c2ccccc2)c(C)c1	2577589	AIQNKMNTYRYAAB-UHFFFAOYSA-N	365.438	5.014	50	40	FKGB	
O=C(O)c1cc(Cl)cc2c1-c1ccc(Cl)cc1[C@H]2Br	4984625	AXQJMPNJCNKVCK-CYBMUJFWSA-N	358.018	5.156	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(N(C)C)cc3)n2)cc1C	17053258	WPFXWPSRSBPJOY-UNOMPAQXSA-N	359.498	5.557	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(C)c1	4063758	BQTHHHCXABKTNT-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)o2)cc1	6565352	PLLKVJSHUWACHX-VBKFSLOCSA-N	371.465	5.988	50	40	FKGB	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	6343528	DPUQSAMPPFOWOR-ATVHPVEESA-N	372.390	5.376	50	40	FKGB	
O=C(Nc1ccccc1)C12C[C@@H]3C[C@H](C1)CC(P(=O)(Cl)Cl)(C3)C2	96022148	UKINWRBOYVXXFT-ZPVISIIKSA-N	372.232	5.635	50	40	FKGB	
Cl[C@]12OO[C@@](c3ccccc3)(O1)[C@H](c1ccccc1)c1ccccc12	104147647	IALBJXFCPBMPTH-NJYVYQBISA-N	350.801	5.013	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	408796717	OWZJRBAAWKKRKN-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
Cc1cc(SC#N)cc(C)c1NC(=O)Cc1c(Cl)cccc1Cl	3305515	XSXSZYDMOWRINU-UHFFFAOYSA-N	365.285	5.365	50	40	FKGB	
N#C/C(=C/c1cccc(I)c1)c1cccc(Cl)c1	408598920	LDTIFAJXYLRZRL-QPEQYQDCSA-N	365.601	5.009	50	40	FKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1	408871588	ZVKPYYUXOOKRQY-MSXFZWOLSA-N	372.346	5.038	50	40	FKGB	
Cc1ccc(C(=O)N[C@@H](Sc2ccc(Cl)cc2)C(Cl)Cl)cc1	101411036	FMXFMMGKWJYXJT-INIZCTEOSA-N	374.720	5.300	50	40	FKGB	
CC1=C(C[C@@H](O)/C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1	219788411	DHPJKUOAVLEIOW-LYPXWFNGSA-N	352.635	6.232	50	40	FKGB	
O=C(CCCC[C@H]1CCSS1)N1CCCC[C@@H](c2ccccc2)C1	390829588	ZYLICKVHXAYMDM-MOPGFXCFSA-N	363.592	5.497	50	40	FKGB	
CCOP(=O)(OCC)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	1631486	TZOXEPZMNSBJBS-XMHGGMMESA-N	357.346	5.609	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1Cl	4822072	FVDUKGCXGSNCTR-GXDHUFHOSA-N	369.852	5.888	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1ccc2ccccc2c1	107953016	WRIQGAKYGPXNOH-HKWRFOASSA-N	354.840	6.348	50	40	FKGB	
Cc1ccc(-c2csc(N(C(=O)CCl)c3cccc(C)c3)n2)cc1	3278454	BEMJCFLRWSRJOJ-UHFFFAOYSA-N	356.878	5.330	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)c1nc(-c2cccs2)cs1	4523501	AQESTEGZDBILSW-UYRXBGFRSA-N	370.502	6.603	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2ccccc2)cs1	4672150	MRQXJPBWZKGZPM-PXLXIMEGSA-N	364.473	6.541	50	40	FKGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1ccccc1C(F)(F)F	7983545	IMQFZSVCBPKDIO-CSKARUKUSA-N	368.717	5.044	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(C)n(Cc4ccccc4)c3C)nc2c1	9263442	TWGZYLVPCTVBTA-FYJGNVAPSA-N	366.468	5.402	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccc(C(=O)O)cc2)c1)c1ccccc1	409069404	IUHURASGIAXNAQ-BKUYFWCQSA-N	355.393	5.028	50	40	FKGB	
CC(C)n1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc21	409242293	WRHAQHLBPXLIFX-MCRQTXEHSA-N	357.457	5.007	50	40	FKGB	
CN(c1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1)C1CCCCC1	7738634	ZIBIKMOHMPVHEO-OBGWFSINSA-N	356.473	5.396	50	40	FKGB	
O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc(Cl)cc1Cl	33712464	NJSKGGMWQJMSPG-GXHLCREISA-N	362.043	5.064	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2cccc(F)c2)c(C)n1-c1ccc(Cl)cc1	409393631	ROFRAGQPAQLTQA-WOJGMQOQSA-N	350.824	5.951	50	40	FKGB	
CC1(C)CC(/C=C/c2cc3c4c(c2)CCCN4CCC3)=CC(=C(C#N)C#N)C1	685944391	GTOZSVMORYTFLT-BQYQJAHWSA-N	369.512	5.489	50	40	FKGB	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1	215973232	OXPZCJGRBAOHLK-NTMALXAHSA-N	351.620	5.192	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)c(C)c1	408544162	VIQQGGVDQGLHMX-XKZIYDEJSA-N	370.452	5.473	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)cc(C)c3)n2)cc1	2288304	ACFIWHIMBONSLX-CPNJWEJPSA-N	359.498	5.966	50	40	FKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1	4545298	OBIRDEQYBITKKP-NTCAYCPXSA-N	353.899	6.617	50	40	FKGB	
CCCCC/C(=N/NC(=O)CSCc1ccccc1)c1ccccc1	12346227	FULRWOBDZQIJPH-XDOYNYLZSA-N	354.519	5.021	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(Cl)cc1Cl	408863439	RTMJCZAMUJMNFW-LPYMAVHISA-N	363.288	5.467	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl	409020495	PVRXGCUWUAAMDL-QJISPJEISA-N	368.864	5.371	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)o1	6218193	AGYNPPVEEVQNMR-NTCAYCPXSA-N	362.816	5.454	50	40	FKGB	
N#C/C(=C\c1cccc(C#N)c1)c1nc2cc(C(F)(F)F)ccc2s1	12749002	WSDWMRZWVYJTMX-NTUHNPAUSA-N	355.344	5.251	50	40	FKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	408926261	WPCDILLWDUENHH-KPKJPENVSA-N	365.647	5.501	50	40	FKGB	
N#C/C(=C/c1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC1CCCCC1	408994043	FIPNNZGAQQIWQB-SDXDJHTJSA-N	369.468	5.191	50	40	FKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2o1	409039281	CFHSLUYYXBTUFR-MDWZMJQESA-N	373.239	5.988	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1	2669490	KHLWLYWPTAKNGZ-UKTHLTGXSA-N	374.654	6.971	50	40	FKGB	
C=C1C[C@@H](c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@H]1O	254286924	YJFAKDCXDSQXKD-QHAWAJNXSA-N	360.614	6.042	50	40	FKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1	1115545	DRVLCYOCRMTOHF-NTEUORMPSA-N	362.654	5.565	50	40	FKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)c3ccccc3)c2)cc1C	4814074	GMOJIQAJKKKCTH-NSXTUZQOSA-N	372.428	5.188	50	40	FKGB	
C[C@]12CC[C@H](c3nc4cc5ccccc5cc4nc31)[C@@]2(C)CBr	72221212	PUTRYMYPKQATCU-VOBQZIQPSA-N	367.290	5.333	50	40	FKGB	
N#C/C(=C\c1cccc(OC2CCCC2)c1)C(=O)c1c[nH]c2ccccc12	84587847	BTTKXCLTXRBCET-SFQUDFHCSA-N	356.425	5.279	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)cc1	408762870	CFNHMIVLANMNJD-VKAVYKQESA-N	374.465	5.539	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	408801380	AINCUTSTKAYBNQ-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c1	5214358	SWKQYWUAHHRZDF-FOWTUZBSSA-N	362.816	5.454	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1	5612678	TYDRQWKHOGWCFW-LFVJCYFKSA-N	350.506	5.436	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	6935764	PHTQQFDJWCYHEK-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1O	17474011	MWGGHGGXGPUVCG-RIYZIHGNSA-N	368.845	5.242	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1F	7745374	JPUCDHQJSVEHRK-SAPNQHFASA-N	374.415	5.313	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Cl	8196078	FSOANDUOWSJBGU-YQODDJSKSA-N	361.872	6.735	50	40	FKGB	
CCCCCCCCCCCC(=O)N/N=C(\C)c1ccc2c(c1)OCO2	97968898	BVAYYDIBQJUYCJ-OQKWZONESA-N	360.498	5.176	50	40	FKGB	
CCCCCCCC[C@H](I)CCCc1ccccc1	100298460	XCHZLNUUCYPION-SFHVURJKSA-N	372.334	6.564	50	40	FKGB	
CCCC1(CCC)c2ccccc2C(CCl)(OCC)c2ccccc21	1578999	NLSVCTDTPBJCIC-UHFFFAOYSA-N	356.937	6.405	50	40	FKGB	
Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c1	2280662	DYYJALMZFIWAQR-LDADJPATSA-N	359.498	6.020	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)c1C	4705376	KSRHMMGVVXWJNC-SFQUDFHCSA-N	360.388	5.248	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc2ccccc2s1	5234326	GKNPZMIWKJXCAR-ACCUITESSA-N	373.393	5.529	50	40	FKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccccc1	13940859	LUXSXNKJNXTNFE-UDWIEESQSA-N	371.849	5.240	50	40	FKGB	
CC(C)(C)OC(=O)NCCCCCCCCCCCBr	95938280	DUEMGHARGAXFIJ-UHFFFAOYSA-N	350.341	5.417	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1O[C@@H](C)CC	6356031	IFYJQGMVRYFUEN-IGCAKMCNSA-N	371.480	6.480	50	40	FKGB	
N#C/C(=C1/OC(=N)C(c2ccc(Cl)cc2)=C1O)c1ccc(Cl)cc1	104276162	FGOHZYSXRWCCET-MVDWIPGDSA-N	357.196	5.205	50	40	FKGB	
CCOc1cc(C)c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1C(C)C	408569855	QPXUAILSIOQNJT-SXGWCWSVSA-N	363.436	5.597	50	40	FKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)c1	3222310	ZRYGMRNCICNSSC-QGOAFFKASA-N	370.408	5.033	50	40	FKGB	
Cc1ccccc1/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	33696430	MRTLFKPNRAWLOJ-FYJGNVAPSA-N	358.510	6.381	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	408788733	FRFFVWMYPUAUCD-GXDHUFHOSA-N	373.239	5.104	50	40	FKGB	
O=C(N/N=C1\CCCc2ccccc21)c1sc2ccccc2c1Cl	672364	SAFUZUXBQDEYDD-RCCKNPSSSA-N	354.862	5.025	50	40	FKGB	
CCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC	6550864	FAPOETZCNKOZGQ-GHRIWEEISA-N	361.445	5.205	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(C)C	7000924	AIDVGKMNQLOWBR-GZTJUZNOSA-N	361.445	5.061	50	40	FKGB	
CCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OC	169956317	SQSBVINEMBDOOJ-BOPFTXTBSA-N	361.445	5.041	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1CC	408865579	DAUUNTZNVGKOEC-XDJHFCHBSA-N	370.452	5.347	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/c3cccc(Cl)c3)n2)c1	6794141	JRRLXAXCXXGEAG-OVCLIPMQSA-N	352.846	5.536	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OC(C)C)c(Cl)c3)[nH]c2c1	33664124	SLFYDSJZVIJUPU-DHDCSXOGSA-N	351.837	5.376	50	40	FKGB	
C/C(=N/NC(=O)Nc1ccc(/N=N\c2ccccc2)cc1)c1ccccn1	104258357	RQPJWNJDXSHFKM-VWTBIULUSA-N	358.405	5.043	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)Cn1cnc2ccccc21	408691678	LHGCKQHCIPEHSC-NBVRZTHBSA-N	367.452	5.585	50	40	FKGB	
C/C(=N\NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C(C)(C)C)cc1	4507519	GCVUXZXDAXCRCQ-CSUZIONRSA-N	368.546	5.146	50	40	FKGB	
ClCCCSC(c1ccccc1)(c1ccccc1)c1ccccc1	4958387	SEHZVCSJYOYTSE-UHFFFAOYSA-N	352.930	6.341	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3C)n2)c1	100839943	ATQJTTSXAXJCIP-ATVHPVEESA-N	361.470	5.412	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(F)cc1	209400394	DFXSWKDKTMDIDE-FYJGNVAPSA-N	373.427	5.786	50	40	FKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408801963	XIJVFEOELNHKSX-XDJHFCHBSA-N	368.436	5.259	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccccc1	409067287	QATXIAKULFKARJ-KGENOOAVSA-N	355.393	5.028	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1	1772572	UJKZVNZGYOGKIH-KGENOOAVSA-N	374.528	6.602	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1	4645085	GWMFKNFHWXZYIZ-PTNGSMBKSA-N	360.463	6.196	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	5792382	GSMVBMTZBUZNEC-XYOKQWHBSA-N	365.647	5.501	50	40	FKGB	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1	5810754	SFIXTJGUMGRISS-KGENOOAVSA-N	369.420	5.064	50	40	FKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl	6209905	NYGFSCJOEMTXKK-RVDMUPIBSA-N	367.235	5.692	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	97990698	JFVMQDNRZHZRMX-UVTDQMKNSA-N	354.331	5.285	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	9324437	ZGKKFCBRDPBBLM-CPNJWEJPSA-N	374.371	5.377	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccccc3Sc3ccccc3)[nH]c2c1	33715235	TWGJSTQGYPMFPL-NBVRZTHBSA-N	367.477	6.087	50	40	FKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(\C#N)c3ccccc3)cc21	223508604	HWNDVNMZIDBMQS-LPYMAVHISA-N	356.513	6.470	50	40	FKGB	
N#CC(C#N)=C(Nc1c(Cl)cccc1Cl)SCc1ccccc1	1070174	XQJNCERYNSSAKU-UHFFFAOYSA-N	360.269	5.597	50	40	FKGB	
CCCCCCOc1ccccc1/C=C(/C#N)c1nc2ccccc2s1	4423444	YZWVEMWNCLUYFQ-SDXDJHTJSA-N	362.498	6.320	50	40	FKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)o1	4903502	QSZWXJAFLGHKRV-MDWZMJQESA-N	371.259	5.538	50	40	FKGB	
N#C/C(=C\c1c(-c2ccccc2)cc2ccccn12)c1nc2ccccc2[nH]1	5729098	TVSWZXWWKHPXKP-NBVRZTHBSA-N	360.420	5.547	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)o2)cc1	6426973	DPXZJKLADQVJBM-SSZFMOIBSA-N	366.486	5.095	50	40	FKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	13586145	KKZOTHWWDWTGGK-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCCC3)c2C)cc1	16134386	YUYKEZPAZJEOCA-ZHZULCJRSA-N	361.489	5.464	50	40	FKGB	
CN(CCC#N)c1ccc(/C=C(\C#N)c2cccc(C(F)(F)F)c2)cc1	1578144	WERHYBQYOCWWJJ-SFQUDFHCSA-N	355.363	5.119	50	40	FKGB	
O=C1[C@H](c2c[nH]c3ccccc23)N(c2ccc(Cl)cc2Cl)[C@@H]1Cl	1633494	YDRUBTPXMIELJK-RDJZCZTQSA-N	365.647	5.170	50	40	FKGB	
CCN(c1ccccc1)P(=O)(Nc1ccccc1)Nc1ccccc1	17413894	CCUWLKAPOXRBFS-UHFFFAOYSA-N	351.390	5.845	50	40	FKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(Cl)cc1	408726533	MRMDZTRWRCRTHA-DQAKUKQTSA-N	367.301	5.014	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	7098399	RTTICEQXDHTYRQ-CYVLTUHYSA-N	369.424	5.412	50	40	FKGB	
N#C/C(=C\c1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	17474088	IZJMBMWZRAFVAW-NTUHNPAUSA-N	358.800	5.806	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)cc1	408850681	CJDCCJJFSDPSAU-LGMDPLHJSA-N	374.465	5.593	50	40	FKGB	
O=C(CCCCCBr)c1c2ccccc2cc2ccccc12	575356818	BTEITRXWMNFHDA-UHFFFAOYSA-N	355.275	6.131	50	40	FKGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1	59473601	YGVOSOBCINQDHQ-STCDJXRXSA-N	360.910	5.094	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)cc1	96024163	UWTBCOSXKDIOIM-VBKFSLOCSA-N	365.889	6.002	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	408793034	CYKVSHNLHMLQTM-GXDHUFHOSA-N	373.239	5.104	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408885812	BFJQCAHONZBGNC-GHRIWEEISA-N	368.864	5.373	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	33787333	IAQMUBWSKYLGCE-VGOFMYFVSA-N	367.817	5.436	50	40	FKGB	
Cn1c(/C(C#N)=C/c2ccc(-c3ccccc3F)s2)nc2ccccc21	12792920	HORFXBUVQDIFDX-WYMLVPIESA-N	359.429	5.505	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	17186239	ZOYYDHCBUGSNAH-GDNBJRDFSA-N	352.846	5.536	50	40	FKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	113834253	CJJBQXDPMSZKIK-SDNWHVSQSA-N	370.368	5.104	50	40	FKGB	
C[C@H](Cl)CN(C[C@H](C)Cl)c1ccc2c(c1)Cc1cc(F)ccc1-2	1678218	BYAPDXBRCDPDPJ-STQMWFEESA-N	352.280	5.458	50	40	FKGB	
CCCCCCCCCCCCCC[C@H](CCl)[n+]1ccccc1C	100932044	CVUGTJJVHUVEDB-JOCHJYFZSA-N	353.014	7.154	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1C(C)C	408799658	ZZYGAFMWAMBBRA-YBFXNURJSA-N	362.473	5.290	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(C)c3)n2)c1	1199745	ZSMUXJZDTJQGRA-SFQUDFHCSA-N	361.470	5.412	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])n2)c(C)c1	4598734	JJNNEIQAFMVCAD-YBEGLDIGSA-N	361.426	5.399	50	40	FKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1	7009433	AUMNZRPRUAWSOH-XMHGGMMESA-N	356.425	5.616	50	40	FKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	20243949	XEIQXTFGPCWWEO-KOUDTOEKSA-N	374.937	5.268	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	58601847	DKFFSWYGEUBJJH-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
ClCCN(CCCl)c1ccc(/C=N/c2cccc(Cl)c2)cc1	1680313	DPYDZMITXFBWNO-FYJGNVAPSA-N	355.696	5.375	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c2ccccc2cc2ccccc12	15226947	BQWDYASSFUELSZ-HKWRFOASSA-N	362.432	5.847	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(F)c3)o2)c1C	409011304	GZTUWBLMDLBAOA-ATVHPVEESA-N	360.388	5.248	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2)cc1	409243254	RDDKRPHMHZKGHL-RGEXLXHISA-N	361.897	6.864	50	40	FKGB	
CCCCCCc1ccc(-c2csc(NC(=O)CCCCl)n2)cc1	3289673	QFAVCKBVKRPYDI-UHFFFAOYSA-N	364.942	5.890	50	40	FKGB	
CC(C)c1ccc(-c2cc(C(=O)NN=C3CCCC3)c3ccccc3n2)cc1	5727527	BNRJJXZGXGDGCF-UHFFFAOYSA-N	371.484	5.685	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2)cc1	6300148	ZQJKQGOFSRJVOE-BKUYFWCQSA-N	370.408	5.546	50	40	FKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(/C#N)c1cccc2ccccc12	6307297	NIUWIETWKMVTDZ-PGMHBOJBSA-N	363.460	6.844	50	40	FKGB	
CC[C@H](Nc1cccc2ccccc12)C(=O)N/N=C(C)/C=C/c1ccccc1	15930456	COGKFFWRYJNQPD-RPNSRXMOSA-N	371.484	5.236	50	40	FKGB	
CC(C)c1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C(C)C)c1O	408848996	XPVHGIFDPFXNIA-SSDVNMTOSA-N	358.869	5.056	50	40	FKGB	
O=C1[C@@H](Cl)N(c2c(Cl)cccc2Cl)[C@@H]1c1c[nH]c2ccccc12	5594142	QJCJCUBGQAJDCL-PBHICJAKSA-N	365.647	5.170	50	40	FKGB	
C/C(C[C@@H]1CC2=C(CC1(C)C)C(C)(C)CCC2)=N/NC(=O)c1ccccc1	17180048	CEEKIVXITQUMRQ-AUFPJITRSA-N	366.549	6.125	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(C(=O)OC)cc3)n2)cc1	39383879	KMYXONBEZDOXME-XDHOZWIPSA-N	374.465	5.223	50	40	FKGB	
N#CCn1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c2ccccc21	409378881	SYSNXKAECIWPCW-PTNGSMBKSA-N	351.331	5.248	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)c1cccc([N+](=O)[O-])c1	1071300	YRAXFFRWCFXTPZ-DEDYPNTBSA-N	356.381	5.238	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)c1cccc([N+](=O)[O-])c1	107734193	LORJFAVUNHNNOV-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	408900361	VIGLGLKDCZSOIO-MDWZMJQESA-N	364.754	5.213	50	40	FKGB	
Cc1cc(C(=O)CCl)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1	1465635	MZUMFPMUKCTKSC-UHFFFAOYSA-N	350.167	5.188	50	40	FKGB	
N#CC(C#N)=Cc1cn(CCCOc2ccccc2Cl)c2ccccc12	4537594	ZJDURRZQKITSSM-UHFFFAOYSA-N	361.832	5.194	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OCC	6323411	WYBGPLUYOVJKJC-LTGZKZEYSA-N	371.480	6.482	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3ccc(N(C)C)cc3)n2)cc1	6711480	LWRAFIAYEGQGFS-CPNJWEJPSA-N	359.498	5.503	50	40	FKGB	
CCCCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OCC	33516770	SMMUBNYYROWIGD-LGMDPLHJSA-N	361.445	5.205	50	40	FKGB	
CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCBr	71789719	NKQVCBRVKYHATC-SFGLVEFQSA-N	363.383	7.469	50	40	FKGB	in-vitro
C=C1C[C@@H](c2ccccc2)C[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@H]1O	254286923	YJFAKDCXDSQXKD-HKBOAZHASA-N	360.614	6.042	50	40	FKGB	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	7165165	LCVGEWRWRGNRLS-DHZHZOJOSA-N	356.212	5.020	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc2c(c1)OCO2	409364979	PMJYLNBPACTQIW-NDENLUEZSA-N	355.393	5.058	50	40	FKGB	
C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1	1454073	WZTWKKZBWRGELO-FEIUABRGSA-N	361.228	5.255	50	40	FKGB	
N#C/C(=C\c1cccnc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	4116199	PCTKSJJSIGPTNO-FYJGNVAPSA-N	365.461	5.936	50	40	FKGB	
CC(C)=CCCC1=C[C@H](C)[C@H](/C=N/NC(=O)COc2ccccc2C)CC1	5344028	ZQXZJTWRVAKOBD-DQIJFOQCSA-N	368.521	5.195	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	59303362	ZLPIHHDUKFESOP-QINSGFPZSA-N	372.777	6.214	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\[C@@H](C)CCCC(C)C	104070549	GNFCDZFGKCYLRP-JYBCESJWSA-N	371.396	5.913	50	40	FKGB	
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](OC(=O)CCl)CC[C@]3(C)[C@H]1CC2	118929353	PUOMYSMUJCHSOD-XVYLQWLCSA-N	352.946	5.570	50	40	FKGB	
O=C(c1ccc(C(F)(F)F)cc1C(F)(F)F)[C@@H](Cl)c1ccccc1	575360871	KCRPXPUHHSISHY-ZDUSSCGKSA-N	366.688	5.887	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(C)ccc3F)n2)cc1	875555	KXINERREKUZEOT-RVDMUPIBSA-N	365.433	5.243	50	40	FKGB	
CC(C)(C)c1ccc(SS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1	1764323	LNSCDFKIZQSIQL-UHFFFAOYSA-N	362.560	5.763	50	40	FKGB	
Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	68563038	LFAILBFSCZZJAD-UHFFFAOYSA-N	367.432	5.804	50	40	FKGB	biogenic
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)c(Cl)c1	408587098	QAQAZLJHWSOIOP-NTEUORMPSA-N	374.654	6.971	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)c1	408871415	YBNUEBPPOUTEPQ-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)c1nc(-c2cccs2)cs1	4792781	AQESTEGZDBILSW-CPNJWEJPSA-N	370.502	6.603	50	40	FKGB	
N#C/C(=C\c1c[nH]nc1-c1ccccc1)c1nc(-c2ccccc2)cs1	5013218	ITBJQDNUPHPYIB-GZTJUZNOSA-N	354.438	5.264	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc2c(c1)Cc1ccccc1-2	6046404	DUSGXDDHZQGWRX-KOEQRZSOSA-N	354.453	5.029	50	40	FKGB	
CCn1c2ccccc2c2cc(NC(=O)/C(C#N)=C/c3ccccc3)ccc21	6910908	VRSXHTXAZQEEFI-NBVRZTHBSA-N	365.436	5.360	50	40	FKGB	
CCCC[C@@H](Br)C[C@@](F)(Cl)C(F)(F)Br	2530828	VHDQJFOCARQXPL-RQJHMYQMSA-N	360.439	5.223	50	40	FKGB	
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CC(=O)[C@H](Br)C[C@]3(C)[C@H]1CC2	118933772	WDTWEWZLXQZFPG-DBQFFBIKSA-N	353.344	5.362	50	40	FKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)c2ccc(Cl)cc2)cc1	408579562	HWTJHSSFQWNVDB-KGENOOAVSA-N	359.856	6.292	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1	409214610	WKQDZFQIBLAVNP-UYRXBGFRSA-N	374.371	5.377	50	40	FKGB	
COc1c(C)cc(P(c2cc(C)c(OC)c(C)c2)C2CCCC2)cc1C	685935998	YPZMIDDQRNUDQS-UHFFFAOYSA-N	370.473	5.313	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)cc1	8657044	KAUOXNJOYMKMAH-QGOAFFKASA-N	368.465	5.643	50	40	FKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	408579757	JYIHAJXUUOGACN-GZTJUZNOSA-N	354.247	5.387	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccc(Cl)cc1Cl	1094436	CSRSYTWGUNHQQA-VMPITWQZSA-N	357.649	5.254	50	40	FKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1)c1ccccc1	8240098	FGBYIKANVMCPTF-IGCAKMCNSA-N	368.436	5.263	50	40	FKGB	
N#C/C(=C/c1cc2ccccc2nc1N1CCCCC1)c1ccc(Cl)cc1	14359416	LYBGAFROYTZNAK-HKWRFOASSA-N	373.887	5.943	50	40	FKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)C(C)C	20468295	VVEVDWOPWWPNQZ-ZVHZXABRSA-N	365.864	5.317	50	40	FKGB	
N#CC(NC1CCCCCCCCCCC1)=C1C(=O)c2ccccc2C1=O	101169152	ONKXPAZQFAEPSN-UHFFFAOYSA-N	364.489	5.106	50	40	FKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)c3ccc(Cl)cc3)cc21	208450313	RZCNLAMEUCRMGQ-ODLFYWEKSA-N	362.904	6.344	50	40	FKGB	
Clc1ccc([C@@H](Cl)c2nc3ccccc3nc2Cl)c(Cl)c1	3154954	KTNGWYUGYQGQLA-CYBMUJFWSA-N	358.055	5.918	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Br)cc1	3254457	MFGSTVBIJYRUEN-LFIBNONCSA-N	369.262	5.118	50	40	FKGB	
CCCCCOc1ccccc1/C=N/NC(=O)Cc1cccc2ccccc12	6997630	SFWZNDHMFNFTFF-XIEYBQDHSA-N	374.484	5.102	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1Cl	409053060	WQYFZEJIIGCCNW-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCC	107996718	NJIFJQAYHDTPCI-NVNXTCNLSA-N	372.808	5.110	50	40	FKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1	408599386	TZZQAKMUXJIFGN-UNOMPAQXSA-N	362.860	5.820	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)(C)C)cc2)cc1Cl	408734903	LIPNKQOCXROFAV-LFIBNONCSA-N	352.865	5.492	50	40	FKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408801314	VDJBYXYWVCWAQE-SERMCNLOSA-N	363.244	5.075	50	40	FKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1ccccc1F	408874655	DPYNZKYWBGPCKL-CPNJWEJPSA-N	374.390	5.101	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1	409361138	GTCLHXVSKSBPIA-ZHZULCJRSA-N	368.867	6.407	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(F)ccc3C)n2)cc1	4135187	RKSTYVZVYQEZFJ-SFQUDFHCSA-N	363.461	5.797	50	40	FKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	4544441	CJRGIIWBXSTQDW-VOUPUZTISA-N	368.480	5.595	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1nc2ccccc2[nH]1	5068475	MHFBPFQQTVGRGM-CPNJWEJPSA-N	351.409	5.206	50	40	FKGB	
CC(C)(C)[Si](C)(C)ON=Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1	263612454	YEYDWXCFCHLAQA-UHFFFAOYSA-N	365.666	6.426	50	40	FKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1F	408874913	GGZUXKMVXZZWBI-SAPNQHFASA-N	372.399	5.089	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl	409010924	DSIVHNKSPGRZAX-NWFCWYBLSA-N	351.837	5.458	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(C)c1	6295287	ANXVSGCECDGCBE-AQTBWJFISA-N	352.441	5.343	50	40	FKGB	
COC(=O)/C(C#N)=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1	6823224	HMYRXWMMLZEDDT-MNDPQUGUSA-N	354.409	5.236	50	40	FKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1C1CCCC1	408782073	FSGYPKYRZIFVIS-ATVHPVEESA-N	367.880	5.419	50	40	FKGB	
CC[C@H](C)n1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21	408948243	QXUVKOOKSTWUAN-VRHSPDTKSA-N	359.429	5.122	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@@]43C)o2)cc1Cl	408955269	OLAYJJRZAGZHAM-XIQLWFOPSA-N	370.880	5.185	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1	4814065	KYRKWRVGUFJYCN-SRZZPIQSSA-N	359.212	5.017	50	40	FKGB	
C[C@H]1CCc2nc(/C(C#N)=C\c3cccc(Br)c3)sc2C1	5676421	XEWPIYXPOIVZIP-LFTLCWSBSA-N	359.292	5.095	50	40	FKGB	
C/C(=N\NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccncc1	18042512	PGIGDXVNEJOBDT-DPWLSMTKSA-N	358.405	5.043	50	40	FKGB	
CCCCCCCCCCCC[C@@H](Br)CBr	85922418	RMIIYTFMCDXNEI-CQSZACIVSA-N	356.186	6.456	50	40	FKGB	biogenic
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccccc1F	209402500	KOSVXCVRXHPTMB-FYJGNVAPSA-N	373.427	5.786	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1N1CCOCC1	408551597	OJKSWWLVQYTHTN-HAHDFKILSA-N	354.453	5.049	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])n2)cc1	6356360	YCSVKONGCBEHHS-BOPFTXTBSA-N	361.426	5.345	50	40	FKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C	28515420	GPJDORWXXONAJO-UYRXBGFRSA-N	352.441	5.343	50	40	FKGB	
Cc1cc(N2CCCC2)c(C)cc1/C=C(/C#N)c1ccc2ccccc2c1	33713298	YOHDPZLCXIUVRO-JLPGSUDCSA-N	352.481	6.121	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc2ccccc2c1	33766651	GLVFBRYSOQVVNT-CXUHLZMHSA-N	367.235	5.692	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1cccc(C(F)(F)F)c1	409087046	IPADDSIEYVTIEL-YBEGLDIGSA-N	360.354	5.509	50	40	FKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(C)cc3)n2)cc1	6846989	GREAQKSAAZUIJO-KGENOOAVSA-N	358.510	6.525	50	40	FKGB	
CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	33369080	WTULVMRFEBUVJO-WJDWOHSUSA-N	365.889	5.594	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccccc1F	34865516	BVARATJSUBGLNJ-UNOMPAQXSA-N	373.383	5.167	50	40	FKGB	
CCn1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c2ccccc21	35131173	FLHDRWWPQWDASX-RVDMUPIBSA-N	361.495	5.928	50	40	FKGB	
Cc1cc(Cl)ccc1/N=N\c1ccc(N(CCCl)CCCl)cc1	104189274	PYUGSEHQIDOELK-DQRAZIAOSA-N	370.711	6.348	50	40	FKGB	
Cc1cc(C)c(COc2ccccc2Br)cc1C=C(C#N)C#N	1085033	NMMCBQSDSYUZSK-UHFFFAOYSA-N	367.246	5.076	50	40	FKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2cccs2)[C@@H]1c1cccs1	2604359	BCDUJGCUCBHRLL-JICACKBISA-N	352.484	5.139	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(N4CCCCC4)cc3F)nc2c1	9263465	DOQPOOQAEVOCBU-SFQUDFHCSA-N	360.436	5.065	50	40	FKGB	
CCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2333732	PNRPGRWCWIUSGH-SAPNQHFASA-N	371.864	6.021	50	40	FKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)ccc1O	4174993	MHHVVLQOWVQNMU-CXUHLZMHSA-N	362.454	5.205	50	40	FKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccc(F)cc2)cs1	4811544	MQILKQLIPRELIO-NTEUORMPSA-N	374.362	6.032	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)cc2)c1C	5043991	FOGNYCZBFBCISJ-STZFKDTASA-N	360.888	6.374	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccs1	67194239	OSISXGQCCKZXJI-RCCKNPSSSA-N	366.511	5.194	50	40	FKGB	
Cl[C@@]1(Br)c2ccccc2[C@H](Br)[C@H]2C=CC=C[C@H]21	170621323	ZQASRTHFLYVJSG-RMIQQSQVSA-N	374.503	5.281	50	40	FKGB	
C=C1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O	204135633	ITBIDWSGCHAPLY-BRWVUGGUSA-N	372.698	5.336	50	40	FKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	59117571	GJLVRBUYCRTXAV-GXDHUFHOSA-N	373.283	5.837	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1OCC	408587106	QDOMLMYTTPNNII-DHDCSXOGSA-N	362.256	5.855	50	40	FKGB	
O=C(CCCCCBr)c1cc(Cl)cc(Cl)c1Cl	575361402	ATHQKHYIDNPDHF-UHFFFAOYSA-N	358.490	5.785	50	40	FKGB	
CN(C)c1ccc([C@@H](Cl)[C@H](Cl)C(=O)c2ccc(Cl)cc2)cc1	1685478	WMSSOOBBXJIYDA-CVEARBPZSA-N	356.680	5.176	50	40	FKGB	
O=C(CCCl)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	4215013	VAMJXNJICNETEK-UHFFFAOYSA-N	374.868	5.111	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccc2ccccc12	6496614	RQAWXLAVKZYPOU-JXAWBTAJSA-N	366.376	6.072	50	40	FKGB	
CCCOc1ccc(C23CC(C[C@H](C)C2)C[C@@H](C)C3)cc1C=C(C#N)C#N	19597129	DPHVQGWCALBMCP-SZKUSEGLSA-N	362.517	6.010	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	34736955	LZXNOCWOGFIFRY-QGOAFFKASA-N	355.865	5.982	50	40	FKGB	
N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	57414151	BOZGWGIOEHKHKL-KTKRTIGZSA-N	366.635	5.105	50	40	FKGB	
BrCC1=CC(c2ccccc2)(c2ccccc2)c2ccccc21	104149357	QLJSONLCYMJYCK-UHFFFAOYSA-N	361.282	5.813	50	40	FKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc21	208202421	MNUFEEUPHVWVTN-JQFNYASXSA-N	350.893	6.126	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408580352	OTSHHIPLIDHNIW-LFIBNONCSA-N	370.246	5.087	50	40	FKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H](Cl)C=C[C@@H]3[C@@]1(Cl)C2(Cl)Cl	2558652	FRCCEHPWNOQAEU-LDSHLKOWSA-N	373.321	5.242	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1F	35302318	LYXIWHYZCZGIKF-XFXZXTDPSA-N	368.751	5.711	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc2ncccc2c1	197853835	BBUJOKSFAXADCG-BKUYFWCQSA-N	367.427	5.846	50	40	FKGB	
CC/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1	408727532	QHCJXZRSRFHVOF-DCKJRJMFSA-N	360.910	5.060	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccccc1	1805792	QKRLSADNOVMMHJ-GXDHUFHOSA-N	373.761	6.683	50	40	FKGB	
N#C/C(=C\c1ccc(O)cc1)c1nc(-c2cccc3ccccc23)cs1	6244148	SGPNVNSUNULUCR-SFQUDFHCSA-N	354.434	5.733	50	40	FKGB	
Clc1ccc(SSc2ccc(Cl)cc2Cl)c(Cl)c1	1737035	XJGRTQYOTRFQBQ-UHFFFAOYSA-N	356.126	7.100	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3)n2)c1	6451246	JRRLXAXCXXGEAG-NVNXTCNLSA-N	352.846	5.536	50	40	FKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1	3088601	PZPVZQQGKVZNNR-XQNSMLJCSA-N	372.896	5.453	50	40	FKGB	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1	9668279	XTLPKXWNROCJQK-KGENOOAVSA-N	371.411	5.503	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1	408772965	NXTNCAZONBLISW-WQRHYEAKSA-N	367.279	6.465	50	40	FKGB	
Cc1[nH]c2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	15012580	VVXAXUWYTOFMKL-XFXZXTDPSA-N	370.239	5.329	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1Br	209400433	HFRFHRFPUUTMDF-GZTJUZNOSA-N	354.247	5.387	50	40	FKGB	
O=C(Cl)c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1	2187497	PBNNTSILLNDKTM-UHFFFAOYSA-N	352.069	6.177	50	40	FKGB	
CC1=CS/C(=C(/C#N)C(=O)Nc2cccc(Cl)c2)N1c1ccccc1	2373069	POLJXMNKXYXSSC-ZPHPHTNESA-N	367.861	5.128	50	40	FKGB	
C[C@H]1CC[PH](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21	103844088	GBTGPHCPRJGSSI-FQEVSTJZSA-N	368.460	5.373	50	40	FKGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccc2ccccc2c1	408551966	QBLWMNVJIOAZJJ-QNGOZBTKSA-N	364.404	5.393	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1nc2ccc(F)cc2[nH]1	408569034	YEWHGVSJBMTPKP-LCYFTJDESA-N	363.779	5.680	50	40	FKGB	
C/C(=N/NC(=O)[C@H](C)SCc1ccccc1)c1ccc(C(C)(C)C)cc1	23382547	GCVUXZXDAXCRCQ-HEQHKCQXSA-N	368.546	5.146	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cccc(Oc4ccccc4)c3)nc2c1	107870730	ONEMVPJTQSJEFS-AQTBWJFISA-N	351.409	5.728	50	40	FKGB	
COc1ccc(/C=C/C(=O)Cl)cc1OCc1cccc2ccccc12	217705997	GNUVMSWXPDEGPD-ZRDIBKRKSA-N	352.817	5.206	50	40	FKGB	
O=C(CCCCCBr)c1ccc(OCc2ccccc2)cc1	382684259	DHKVKJQNROQEEJ-UHFFFAOYSA-N	361.279	5.404	50	40	FKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OCC)c1OCC	409071539	GYPWSYLOMGJBFI-QGOAFFKASA-N	374.440	5.418	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1	409365303	QMRXFVJANPMLCH-ULJHMMPZSA-N	361.444	6.483	50	40	FKGB	
N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	1098381	PEJQHHBDNUECRL-XFFZJAGNSA-N	356.212	5.020	50	40	FKGB	
N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2ccccc2)cs1	1250623	OGSPXWVEAUCNRS-GHRIWEEISA-N	354.438	5.335	50	40	FKGB	
Cc1cccc2c(C(=O)CBr)cc(-c3ccc(Cl)cc3)nc12	1595065	PMODPANZBDYKCY-UHFFFAOYSA-N	374.665	5.441	50	40	FKGB	
C[C@@H](Br)C12CC3(Br)C[C@](C)(C1)C[C@@](C)(C3)C2	49688582	FYBHVDNBMAEARY-BFKVFCTQSA-N	350.138	5.284	50	40	FKGB	
CC[C@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408603050	PVFKZWZMFIYEOD-AOHITCTBSA-N	354.837	5.063	50	40	FKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc(C)c1	33685005	SIUWVOHLWXBKIT-MOSHPQCFSA-N	373.427	5.786	50	40	FKGB	
Cc1ccc(-c2cc3nc(-c4ccccc4)nc(C(Cl)Cl)n3n2)cc1	101425474	HMSLGZUCPDGJNE-UHFFFAOYSA-N	369.255	5.243	50	40	FKGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCc1ccc(Cl)cc1Cl	2747271	PQRLHQLPEBDVFX-UHFFFAOYSA-N	373.239	5.402	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccccc2F)cc1Br	2865990	SHDALHFCOXYGFZ-GXDHUFHOSA-N	358.210	5.217	50	40	FKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc2ccccc12	5531632	QUNNHTOVZIBNIL-CYGNYLSHSA-N	368.889	5.124	50	40	FKGB	
N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2ccccc2)cs1	6423218	XXEKJLXEUANRKU-NBVRZTHBSA-N	353.450	5.940	50	40	FKGB	
CC[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C(C)/C=C/c1ccccc1	15930454	COGKFFWRYJNQPD-FYOYIKGISA-N	371.484	5.236	50	40	FKGB	
CCc1ccc(-c2cc(C(=O)NN=C(C)C)c3cccc(Cl)c3n2)cc1	17075169	AVPMISFZCLUMPK-UHFFFAOYSA-N	365.864	5.243	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(C#N)c1	408565842	BFEFSBCPGMUYIA-MTJSOVHGSA-N	370.839	5.855	50	40	FKGB	
Cc1c2ccccc2c(/C=N/NC(=O)[C@@H]2[C@@H]3CCCC[C@@]32C)c2ccccc12	408726645	UKECVPFTVCHFPO-YWZDCEKZSA-N	370.496	5.578	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)cc1	408580694	QYMPQIFIISMRQQ-FYJGNVAPSA-N	359.856	6.292	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)Cn1cnc2ccccc21	408691675	LEPVJFZWZXFCEU-GHRIWEEISA-N	353.425	5.195	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1C1CCCCC1	408742468	WRCXPZSPQNGAPR-LPYMAVHISA-N	357.885	5.027	50	40	FKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408852554	TZPPUYBVDBMQRG-SAPNQHFASA-N	372.399	5.089	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc(F)c1	409392484	MVRYMIJKHOXLIL-UKTHLTGXSA-N	358.199	6.457	50	40	FKGB	
N#C/C(=C\Nc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1	5888386	XCTWQXJVEUVLJN-OBGWFSINSA-N	366.424	5.118	50	40	FKGB	
Cc1cc(/C=N/NC(=O)CNc2ccccc2)c2c(C)ccc(C(C)C)cc1-2	13069787	NXZNEGMEQYRXHB-VULFUBBASA-N	373.500	5.094	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccccc1F	33731322	WPZPEWYBXSNSRG-AQTBWJFISA-N	374.371	5.377	50	40	FKGB	
CCCCC/C=C\C/C=C\CCCCCCCC(=O)C(O)(O)CCCl	306146356	GAYJIABKUDVDAK-HZJYTTRNSA-N	372.977	5.679	50	40	FKGB	
C[C@H]1CCC/C(=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)C1	859186	LIDOIILJKUMCQF-CQQXOOPHSA-N	362.454	5.404	50	40	FKGB	
Cc1cccc(C)c1NC(=S)P(=O)(c1ccccc1)c1ccccc1	2577591	UNRLYWUPFQMAAC-UHFFFAOYSA-N	365.438	5.014	50	40	FKGB	
CCCC/C(=N/NC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1	4099232	UPCCCWPLTHQWHK-BZZOAKBMSA-N	356.469	5.678	50	40	FKGB	
Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)ccc(N2CCCC2)c1C	6792430	SRXJPOYNHKQNQI-IWIPYMOSSA-N	352.481	6.121	50	40	FKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)cc1	33713300	OXOAIZXJOQGGJN-BKUYFWCQSA-N	353.425	5.039	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)c1ccc(Cl)c(Cl)c1	408587790	UPMNNGHZKAISPV-LDADJPATSA-N	374.270	7.364	50	40	FKGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	4860730	FBDMAOXVDSRSOI-RIYZIHGNSA-N	367.817	5.436	50	40	FKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(F)cc3)c2C)cc1	13546710	FMNQHCZCAKAEOV-KQWNVCNZSA-N	372.487	6.640	50	40	FKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCBr	59199330	PEPWIAVLPDLJMQ-UHFFFAOYSA-N	355.038	5.020	50	40	FKGB	
N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)cs1	4808893	CWHZWKJPCVKAHN-RAXLEYEMSA-N	355.825	5.579	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCC	33420327	WUVDNSAKBGEQQL-ZROIWOOFSA-N	367.836	5.078	50	40	FKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)c3ccc(F)cc3)cc21	223506987	VFDBCHRRMCMUDM-MTJSOVHGSA-N	374.503	6.609	50	40	FKGB	
CC(C)CCCCCCCCCCCCCC/C=C1\CC(=O)OC1=O	299888677	SYPLOIRXGVKHNT-LVZFUZTISA-N	350.543	6.504	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1F)c1ccc2ccccc2c1	408551606	OOEFUDRNUSRRLD-JCMHNJIXSA-N	356.444	6.033	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(Cl)c(Cl)c1	408585472	FKFUYJMDUMTNDH-ZROIWOOFSA-N	358.199	6.457	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408580915	SLFTVMJVRUCLBE-XNTDXEJSSA-N	374.267	6.021	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(-c2ccccc2)n1-c1ccccc1	408771228	FBFXQARYGBUMHX-HKOYGPOVSA-N	360.460	6.517	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1Br	409310238	SPNTXQUGONDSSO-WJDWOHSUSA-N	364.242	5.675	50	40	FKGB	
Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	6390070	GOCMCOJSMCJECM-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
CC(C)N(CCCl)CCOc1ccc(Cl)cc1Cc1ccccc1	1700034	XBOJNDOYZMVMFW-UHFFFAOYSA-N	366.332	5.259	50	40	FKGB	
C/C(=N\NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(Cl)c(Cl)c1	4507157	PXIODMFKRBXUAM-WSDLNYQXSA-N	369.336	5.686	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1	33283759	UDEFMKGIWRCBNI-WJDWOHSUSA-N	369.262	5.118	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C/c3cc([N+](=O)[O-])cc(Cl)c3Cl)[nH]c2c1	408719659	OEMNJZSRSQHFLO-VZUCSPMQSA-N	373.199	5.151	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1	5466710	XADLXRQVUHLWIY-PCLIKHOPSA-N	374.484	5.300	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1nc2ccc(F)cc2[nH]1	408568789	KZQRXDIYNBFSLC-PDGQHHTCSA-N	369.399	5.345	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4cccc(Cl)c4C)o3)[nH]c2c1	4678130	KNCHAFGUKNSHMP-RVDMUPIBSA-N	373.843	6.157	50	40	FKGB	
O=C(Nc1cccc2cccnc12)NN(c1ccccc1)c1ccccc1	43529126	MRGSULHAOSBVBM-UHFFFAOYSA-N	354.413	5.110	50	40	FKGB	
O=C(Cl)c1sc2cc(Br)c3ccccc3c2c1Cl	85391145	JISKYNFRNCTEMQ-UHFFFAOYSA-N	360.059	5.849	50	40	FKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	1453875	ZLIUXZVZBYOESH-XMHGGMMESA-N	356.425	5.173	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCC	2849631	OKDDHCJAYILTFW-OQLLNIDSSA-N	362.256	5.855	50	40	FKGB	
N#CCn1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c2ccccc21	6045763	ZIOMLCJIOAQPSO-GDNBJRDFSA-N	351.331	5.248	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl	408796898	QHQJHACDTVRYOK-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2cccc(Br)c2)cc1Cl	408773550	RRQUZTWQMIASQY-ZSOIEALJSA-N	362.654	5.565	50	40	FKGB	
CCC(C)(C)C1CCC(=NNC(=O)Cc2cccc3ccccc23)CC1	5791972	OIVIQEFKATZPSS-UHFFFAOYSA-N	350.506	5.481	50	40	FKGB	
C/C(=N/NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccncc1	17746695	PGIGDXVNEJOBDT-QADSEFCXSA-N	358.405	5.043	50	40	FKGB	
COc1cc(OC)cc(C(=O)NN=C2CCCCCCCCCCC2)c1	59459600	OICKOPPJJPWHHK-UHFFFAOYSA-N	360.498	5.094	50	40	FKGB	
CCCCCC(=C/c1ccccc1)/C=N/NC(=O)c1cccc2ccccc12	102979117	XCJOWVJSYBNYQX-RABKSQAHSA-N	370.496	6.219	50	40	FKGB	
CN(C)P1(Cl)=NP(Cl)(N(C)C)=NP(Cl)(N(C)C)=N1	104361469	SASBNZJYFHIKRV-UHFFFAOYSA-N	373.533	5.240	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccccc3)c2)cc1	408581108	UPSBOIXFQQLGKI-KGENOOAVSA-N	368.436	5.077	50	40	FKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1	408599304	SFLLVEYFWIUYHJ-CPNJWEJPSA-N	370.481	5.627	50	40	FKGB	
CCCCCCc1ccc(-c2csc(NC(=O)[C@H](C)Cl)n2)cc1	3252691	XNOXIEGYDMAVKS-ZDUSSCGKSA-N	350.915	5.499	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)c1c[nH]c2ccccc12	4483160	YDZNQQFPJAKZNP-SDNWHVSQSA-N	372.811	5.871	50	40	FKGB	
Cc1cc(Nc2ccc(N(CCCl)CCCl)cc2)cc(C)c1O	4773923	OYZRSIFCXNQYLX-UHFFFAOYSA-N	353.293	5.037	50	40	FKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)c(C)c1	5543443	TVTGWIHOSBNTEM-PDGQHHTCSA-N	374.415	5.557	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2)cc1	59116699	HYLKYLATNXWCQQ-KGENOOAVSA-N	368.436	5.120	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccccc1	408786431	JXYQRJZVXNZBKK-PCLIKHOPSA-N	367.452	5.011	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1O	4175012	MWGGHGGXGPUVCG-ZSOIEALJSA-N	368.845	5.242	50	40	FKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cccc(Cl)c1	6224894	FPADRKNSWFQYJY-UHFFFAOYSA-N	365.047	5.449	50	40	FKGB	
BrCc1ccc2oc(-c3ccccc3Br)nc2c1	226317868	UOXVAATURMKSFH-UHFFFAOYSA-N	367.040	5.152	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br	408581223	VFIOSMQVTYCTHZ-NTEUORMPSA-N	362.654	5.565	50	40	FKGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Br)c1cccc(Cl)c1	408599161	PMDVXLBGLZAQJO-SDQBBNPISA-N	363.598	5.075	50	40	FKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(Cl)c1	408879249	BQEAERGRNYSZRU-GZTJUZNOSA-N	368.864	5.235	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	948327	LFNHORHRYCKXKK-MHWRWJLKSA-N	358.363	5.374	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3F)n2)cc1OC	6761971	VDJJFOITFVFTJX-OQLLNIDSSA-N	366.417	5.031	50	40	FKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	408871322	XSACOEJUMNRLDP-XQNSMLJCSA-N	366.464	5.440	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	40865612	RWXJYHYDODQXEY-FOWTUZBSSA-N	354.837	5.065	50	40	FKGB	
COc1ccc(/N=c2/scc(CCl)n2[C@@H](C)c2ccccc2)cc1	100349416	LXLXMZJXZVEKJT-WDWGUKLMSA-N	358.894	5.139	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc(Cl)cc3)c2C)cc1C	408741527	QHSXWRVSXIKNPU-FYJGNVAPSA-N	360.888	6.429	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1Cl	408787143	SHJKKXSNGWJPLU-ZSOIEALJSA-N	351.755	5.822	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1O[C@H](C)CC	409390444	FLCWBEMTDIWFOP-KDVQLTRESA-N	373.855	6.119	50	40	FKGB	
O=C(NN=C1CCCCCC1)c1cc(-c2ccccc2)nc2ccccc12	654902	RSSITDUIUXZZGY-UHFFFAOYSA-N	357.457	5.342	50	40	FKGB	
CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CCl	2299027	WMCAEPDZKYLIKK-FQEVSTJZSA-N	362.300	5.400	50	40	FKGB	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)N/N=C/c2cccc3ccccc23)cc1	5632582	SMDJHHZAFGWUAP-HWKFKXPMSA-N	370.496	5.391	50	40	FKGB	
C/C(=N\NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc(C2CCCCC2)cc1	7076677	XDQVGZCHPZGOBG-VWPSMMGISA-N	360.501	5.378	50	40	FKGB	
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1ccc(Cl)cc1	13324335	DZXGDLAKZTXDBZ-JMVLLECOSA-N	368.908	5.281	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccc(F)cc1	408741468	MDYGERUFQZWOLV-DEDYPNTBSA-N	359.400	5.477	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Cl)c2)cc1C	408802376	ZPEPOHWIUJDYQZ-LICLKQGHSA-N	368.864	5.290	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c1	408818705	OMFJWLPUZQQSDH-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)cc1[N+](=O)[O-]	409368855	PRPZYZFRNKIHGA-ZDLGFXPLSA-N	355.353	5.099	50	40	FKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)cc1	13562542	CZNMTYICSBGESG-JMIUGGIZSA-N	363.269	5.362	50	40	FKGB	
Clc1ccc(Cl)c(-c2nc3cc(CBr)ccc3o2)c1	226317956	CZCLBWSPQIHQOS-UHFFFAOYSA-N	357.034	5.697	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)cc1Cl	409360360	DZJYEDFEMUOHOM-PXNMLYILSA-N	363.800	5.701	50	40	FKGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1[C@@H](Cl)c1ccccc1	2148780	VFLLEPGFEZXGRY-INIZCTEOSA-N	352.648	6.285	50	40	FKGB	
ClC[C@@H](COc1ccccc1)S[C@@H](CCl)COc1ccccc1	5684317	FRTLYGLFPURWBE-ROUUACIJSA-N	371.329	5.092	50	40	FKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1Cc1ccncc1	26802557	WLJCATOVXFQXNX-UHFFFAOYSA-N	370.481	5.292	50	40	FKGB	
CCOc1cc(C)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1C(C)C	33731432	KUOVCNBLQPLFIY-WQRHYEAKSA-N	359.473	5.766	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	33922137	CTUUUEPEALASBB-VBKFSLOCSA-N	362.816	5.454	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc2ccccc12	36089896	BZAKJPLECXEYCS-JXAWBTAJSA-N	355.824	6.817	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2ccccc2c1	408548985	OTTGXYUCHNCMLY-ZHZULCJRSA-N	366.376	6.072	50	40	FKGB	
CCOc1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)cc1	408568097	HWLSSDQQTHMVSM-PTNGSMBKSA-N	373.387	5.425	50	40	FKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccccc2)cs1	5706254	JKGDXZPKKWRUSP-SDNWHVSQSA-N	371.387	5.805	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc2ccccc2c1	253569336	MFCLKAKHPGJVMM-WPWMEQJKSA-N	374.443	5.910	50	40	FKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)cc1Cl	408550878	KNARXMPGYLZCNE-STZFKDTASA-N	368.867	6.657	50	40	FKGB	
CC/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(C)cc1	408727534	QHCJXZRSRFHVOF-IKRFMFEDSA-N	360.910	5.060	50	40	FKGB	
Cc1ccc(NC(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1	408852041	QLDKPXVNYHDILK-WSDLNYQXSA-N	353.466	5.103	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	1977730	DQMPIVZLUSBEND-QGOAFFKASA-N	366.417	5.237	50	40	FKGB	
N#C/C(=C/c1cccnc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	96669675	BXODVMUOUBDWDK-SDQBBNPISA-N	358.253	5.576	50	40	FKGB	
Cl[C@@]1(Br)c2ccccc2[C@@H](Br)[C@H]2C=CC=C[C@H]21	170621322	ZQASRTHFLYVJSG-PCGAWMICSA-N	374.503	5.281	50	40	FKGB	
CCOP(=O)(OCC)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	17216185	TZOXEPZMNSBJBS-RGEXLXHISA-N	357.346	5.609	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)o2)cc1	408553457	ZFGDPXCUMNKQJW-QNGOZBTKSA-N	367.473	6.957	50	40	FKGB	
ClCCSCc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	1668376	AXHSHZVVIURYNO-UHFFFAOYSA-N	358.932	6.426	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1)C(=O)Nc1c(Cl)cccc1Cl	7164592	SNUOPIHCAFNPHD-YRNVUSSQSA-N	351.620	5.192	50	40	FKGB	
CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19818121	ZWACPOASERSGFC-HTAPYJJXSA-N	374.871	5.225	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1OCc1ccccc1	409394164	WQSPUOGAFGCEMB-NDENLUEZSA-N	359.400	5.477	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	5698606	ARDYHEDHQYYZNA-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(Cl)c1	3131195	WWGBWGOUPKFHMX-SRZZPIQSSA-N	359.212	5.017	50	40	FKGB	
Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	6205994	MREADXQWDZSYCV-GXDHUFHOSA-N	369.852	5.888	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)c1nc2ccccc2[nH]1	24586734	GUEAQYPHEAWTNS-QGOAFFKASA-N	369.399	5.345	50	40	FKGB	
ClCc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1Cl	41127374	NOICRCRDNMFQMM-UHFFFAOYSA-N	354.236	6.554	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccn1	43078845	FRWJXRFZKXHKDY-QNGOZBTKSA-N	362.436	5.058	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1	408580398	PGCYRFRMORNTBC-LPYMAVHISA-N	369.420	5.336	50	40	FKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)c2ccc(C)cc2)cc1	408580657	QIPZQHFTIVIHMI-LPYMAVHISA-N	373.883	6.600	50	40	FKGB	
C[C@H](Br)C12CC3(Br)C[C@](C)(C1)C[C@@](C)(C3)C2	3220574	FYBHVDNBMAEARY-OMXXWXSESA-N	350.138	5.284	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1	3885249	LFMKEGDIJBNAKP-XYAPHWEVSA-N	364.876	5.048	50	40	FKGB	
CCc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(C)cc1	4957135	VDCRFCPXCGHJHS-SFQUDFHCSA-N	364.901	6.399	50	40	FKGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1	5023536	NFWQTPJJTHUNIZ-XFXZXTDPSA-N	373.815	5.718	50	40	FKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	7164344	IFPLGENXGGQXNZ-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)c(C)c1	107678944	XVZMNQLGQQLRRF-MTJSOVHGSA-N	371.440	5.683	50	40	FKGB	
CSc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	211864824	CRFBTYLGGMZRGV-WQLSENKSSA-N	363.269	5.261	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccccc2F)c(C)n1-c1ccc(Cl)cc1	34719642	RSCCQFNSKYHLRG-SFQUDFHCSA-N	350.824	5.951	50	40	FKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)c1ccc(OC)c(OC)c1	408583264	SZFFHWCMLMABGG-XMHGGMMESA-N	371.436	5.486	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408807074	OCJKRFWXZVEJIS-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccccc1F	33879796	YHOCDJOMGOMAET-MOSHPQCFSA-N	354.384	5.341	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(C)cc3)cc2Cl)cc1	408581187	UWSVXJBGOXRJQP-LPYMAVHISA-N	373.883	6.600	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408857451	OGYVVCFTNTXOIS-SAPNQHFASA-N	374.415	5.313	50	40	FKGB	
BrCc1cccc2ccc3cccc(CBr)c3c12	1600026	PUYRDPWAITXGOH-UHFFFAOYSA-N	364.080	5.783	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1	2795243	XMWPEDKXFGOXLF-NBVRZTHBSA-N	356.425	5.093	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	211477763	YDMXRZLNJWYGLU-RGEXLXHISA-N	370.452	5.401	50	40	FKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCCC[C@@H](c2ccccc2)C1	390829592	ZYLICKVHXAYMDM-RTBURBONSA-N	363.592	5.497	50	40	FKGB	
COc1ccc(-n2cccc2/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1	408955063	VSWMZQYZWKYKFF-SSZFMOIBSA-N	368.358	5.569	50	40	FKGB	
O=P(Nc1ccccc1)(Nc1ccccc1)N(CCCl)CCCl	104066213	UUPZSTVCZKQYSO-UHFFFAOYSA-N	372.236	5.098	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)c3ccc(Cl)cc3)c2)cc1	409356000	GAVQUVKONJJDKO-BKUYFWCQSA-N	359.856	6.292	50	40	FKGB	
Cl[C@@H]1C[C@H](C(Cl)(Cl)Cl)CC[C@@H]1C(Cl)(Cl)Cl	104221463	JNTMWQZUXHDSDY-NGJCXOISSA-N	353.331	5.751	50	40	FKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1ccc(Br)cc1	408579686	JOZHVZUHNPRQRK-VZUCSPMQSA-N	369.045	5.526	50	40	FKGB	
CC[C@@H](C)c1ccc(OC[C@H](C)N(CCCl)Cc2ccccc2)cc1	4792480	SMNXUXPCNDJJAJ-MOPGFXCFSA-N	359.941	5.708	50	40	FKGB	
CC(C)Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OC(C)C)c1	17074414	XXKBJEKNXVOZLJ-GZTJUZNOSA-N	361.445	5.201	50	40	FKGB	
O=C(O)c1ccccc1/N=N\c1ccc(N(CCCl)CCCl)cc1	95847735	UZVFCQFALGLBHY-MRCUWXFGSA-N	366.248	5.084	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1Cl	409048683	UMPZPVMWOYSPAZ-MDWZMJQESA-N	370.239	5.499	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)c1ccc(Cl)cc1	408579244	FGTOLNPISHNZLF-CPNJWEJPSA-N	363.819	6.122	50	40	FKGB	
N#CC(C#N)=Cc1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1	16385983	NZASFEMRSQJWDP-UHFFFAOYSA-N	367.124	5.158	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1	96835841	PNRWCCGNPQWVSB-YVLHZVERSA-N	368.814	6.090	50	40	FKGB	
Cc1ccc(C(=O)N[C@H](Sc2ccc(Cl)cc2)C(Cl)Cl)cc1	101411035	FMXFMMGKWJYXJT-MRXNPFEDSA-N	374.720	5.300	50	40	FKGB	
O=C(N/N=C/C1CCCCC1)c1ccc(OCc2ccc(Cl)cc2)cc1	5513524	OYRRJKRCWJFCLJ-OEAKJJBVSA-N	370.880	5.215	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3c(s2)C[C@@H](C)CC3)c(C)n1-c1ccccc1	5575430	ARFLGSJNGUZGHA-SJPXOZHESA-N	373.525	5.740	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccc(F)cc1	104379459	DOVISGKQJPCARG-XKZIYDEJSA-N	353.268	5.169	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408812125	LJQJKHWGWPKNRZ-XDJHFCHBSA-N	370.452	5.483	50	40	FKGB	
N#C/C(=C\c1c[nH]c2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	5445351	IPVWYRRUHVLKJR-NTEUORMPSA-N	361.857	6.009	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2ccccc2F)c1)c1nc2ccccc2[nH]1	45170982	ZXHDFLAUSARKEM-LDADJPATSA-N	369.399	5.345	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1ccc(Cl)cc1Cl	408753701	KJXVRXJLJBKYAJ-RAXLEYEMSA-N	372.276	6.802	50	40	FKGB	
CCCCCCOc1ccc(N/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	13004441	KIASELVMRFVVAK-WUKNDPDISA-N	360.461	5.499	50	40	FKGB	
Cc1c(C(=O)NN=C2CCCCCCCCCCC2)cccc1[N+](=O)[O-]	408768766	JDCOTSYVKIOIPD-UHFFFAOYSA-N	359.470	5.294	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408814492	RLMURTJXBCJVOQ-GXDHUFHOSA-N	373.239	5.104	50	40	FKGB	
N#CC(C#N)=C(/C=C/C=C(\Cl)c1ccccc1)c1ccc([N+](=O)[O-])cc1	6863856	IGXRTKQUFCBTPL-FJASIERCSA-N	361.788	5.232	50	40	FKGB	
CCOC(=O)[C@@H](Cl)c1cc(S(F)(F)(F)(F)F)ccc1[N+](=O)[O-]	108618891	DNHQPSFQTYYSPQ-VIFPVBQESA-N	369.695	5.095	50	40	FKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C	408817187	KUZWGZSCPCPHDZ-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
C/C(=N\NC(=O)c1cccs1)c1ccc2c(c1)Nc1ccccc1S2	12565842	DBNRMKIMMWDBRD-CIAFOILYSA-N	365.483	5.110	50	40	FKGB	
CCCCCCCCCCCC[C@H](CCl)OCCOCCCl	100927923	PAVPVFJDNDDVAZ-GOSISDBHSA-N	355.390	6.177	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccccc1F	408548004	BRJSVHCAXZAQKG-HAHDFKILSA-N	366.439	6.451	50	40	FKGB	
CCOc1ccc(-c2ccc(/C=C(/C#N)c3ccc4ccccc4c3)o2)cc1	408552012	RGLQSXFSXCBECS-JWGURIENSA-N	365.432	6.563	50	40	FKGB	
Cc1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1[N+](=O)[O-]	33733640	OWMXPMIMMCDFTF-MDWZMJQESA-N	353.428	5.170	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1	408691911	XTVSNILYOLFAMW-MOSHPQCFSA-N	366.468	5.359	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408803858	UBPBUYKIRNZGMA-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3)n2)cc1	2286774	AUWCLGVEOHIPDO-GHRIWEEISA-N	361.470	5.494	50	40	FKGB	
CC1=C(C)SC(=C(C#N)c2nc(-c3ccc(Cl)cc3)cs2)S1	3176498	NPKKZUQVLPHPBA-UHFFFAOYSA-N	362.932	6.387	50	40	FKGB	
N#CC(C#N)=CC1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1	4077496	BZAQGYIWMHOSTB-UHFFFAOYSA-N	362.432	5.923	50	40	FKGB	
N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	4174953	IAQMUBWSKYLGCE-AUWJEWJLSA-N	367.817	5.436	50	40	FKGB	
CC/C(=C(/C#N)c1ccc(F)cc1)c1ccc(OCCN(CC)CC)cc1	17002508	WEIFHEZCNIWSPP-GHVJWSGMSA-N	366.480	5.391	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccccc4F)c3C)[nH]c2c1	51093206	NYGCEUAQLCBULQ-PDGQHHTCSA-N	370.431	5.482	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccccc3)o2)cc1Br	409366610	XBEWMCAXVDEVPG-BOPFTXTBSA-N	364.242	6.082	50	40	FKGB	
Clc1ccc(Cl)c(SSc2cc(Cl)ccc2Cl)c1	1587751	QGKFQPPIXYPVIE-UHFFFAOYSA-N	356.126	7.100	50	40	FKGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccc2c(c1)Nc1ccccc1S2	6368523	MGIPAKSBVFFHNC-CIAFOILYSA-N	355.463	5.144	50	40	FKGB	
O=C(c1ccc(COc2cc(F)ccc2F)cc1)[C@@H](Cl)c1ccccc1	575358221	NZXUOHHEMUEZDS-FQEVSTJZSA-N	372.798	5.707	50	40	FKGB	
CC[C@@H](CCl)P(=O)(OC[C@H](Cl)CC)OC[C@H](Cl)CC	5218063	NFOAVOICHJFWCO-UTUOFQBUSA-N	353.654	5.265	50	40	FKGB	
C[C@H](Cl)C1(OC(=O)OC2([C@H](C)Cl)CCCCC2)CCCCC1	78130923	YXYJUCUPMHHHEK-KBPBESRZSA-N	351.314	5.800	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)c(OCC)c1	408541901	FNFZKWULOGGLGT-GZTJUZNOSA-N	361.445	5.041	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1C(=O)O	408581546	XTBSUALBJMBNRE-KPKJPENVSA-N	362.212	5.154	50	40	FKGB	
O=C(NN=C1CCCCC1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	1240435	NECBQKPJUCVZIL-UHFFFAOYSA-N	365.864	5.538	50	40	FKGB	
Cc1cccc(CBr)c1-c1c(C)cccc1CBr	1689985	AJXVPMHBXYMYIJ-UHFFFAOYSA-N	368.112	5.760	50	40	FKGB	
Cc1cc(C(=O)N/N=C2\C[C@@H](C)CC(C)(C)C2)c(C)n1-c1ccccc1	33856578	PXRMCMFRVSPZFP-SAZKUCFMSA-N	351.494	5.026	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3cccc(Cl)c3)cc2[C@H](C)CC1(C)C	208312102	NUUBEDNLLJCFQJ-VXIUPONVSA-N	364.920	6.516	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc(F)c1	409391593	IWPFSMMZSWQZOJ-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
COc1cccc(C(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c1	6930871	JPMDHYZPEIHZOX-KGENOOAVSA-N	369.420	5.064	50	40	FKGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cccc2ccccc12	59679223	VSSIMHSRQSGKKF-BUVRLJJBSA-N	373.843	5.048	50	40	FKGB	
COc1cc(/C=C/C(=O)Cl)ccc1OCc1ccc(C(C)(C)C)cc1	62715780	NEGPUAVMZAFBBF-XYOKQWHBSA-N	358.865	5.350	50	40	FKGB	
CCCOc1ccccc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	408600540	CTQJEBWMRWXSOX-BUVRLJJBSA-N	372.424	5.139	50	40	FKGB	
Cc1ccccc1[PH](Cc1ccccc1)(c1ccccc1)c1ccccc1	104094215	ZDIDKMYUNNRGOP-UHFFFAOYSA-N	368.460	5.221	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1cccc(Cl)c1	408568416	TZXNMTOANUATOM-JAIQZWGSSA-N	357.844	5.683	50	40	FKGB	
Cc1cccc(CSC(Nc2cccc(C(F)(F)F)c2)=C(C#N)C#N)c1	2372585	ANOAJEMKZZPQJS-UHFFFAOYSA-N	373.403	5.618	50	40	FKGB	
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@H](Cl)c1ccccc1	5874430	CJISTPNYFLHQER-HXUWFJFHSA-N	369.892	5.594	50	40	FKGB	
CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)CCCCl)c3)nc2c1	6440207	XYGQDSQALWBEID-CQSZACIVSA-N	370.880	5.966	50	40	FKGB	
N#C/C(=C\c1ccc(F)c(F)c1)c1nc2cc(C(F)(F)F)ccc2s1	12874889	NRBFVLNPOFQSSD-BJMVGYQFSA-N	366.314	5.657	50	40	FKGB	
C=CCn1c(C)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21	408599026	CNMKPLVAKAUALP-PCLIKHOPSA-N	373.500	5.197	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1	408873754	VKEPBTAHFSVVRQ-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)cc1	408876819	QYCOUWWPEKCVHX-KGENOOAVSA-N	370.427	5.271	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	409365199	YQGJRWIIRJRZLA-PTNGSMBKSA-N	364.788	5.881	50	40	FKGB	
Fc1ccc(-c2nc(C(Cl)Cl)nc3cc(-c4ccccc4)nn23)cc1	1775977980	ZCGADXBNAVFSMD-UHFFFAOYSA-N	373.218	5.074	50	40	FKGB	
O=C(CBr)c1cc(-c2ccccc2)nc2c(Cl)cccc12	1671979	XAYZEHQNQBUPDM-UHFFFAOYSA-N	360.638	5.133	50	40	FKGB	
ClCCN1c2ccc3ccccc3c2Sc2ccc3ccccc3c21	1690558	AWMKNNROVHABTP-UHFFFAOYSA-N	361.897	6.835	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)ccc1O	4853295	AKTBOBMKGASHAR-YVLHZVERSA-N	362.454	5.287	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)cc1	6297463	HFXPOUZLNPVPCR-PDGQHHTCSA-N	358.353	5.122	50	40	FKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)Cl)cc1	62715888	SYVZYRKOYILMSP-RMKNXTFCSA-N	365.654	5.115	50	40	FKGB	
CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)CCl)c3)nc2c1	226328370	CKSYKRHDVHBIEX-UHFFFAOYSA-N	363.244	5.449	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1	408767114	VWJPFZWJASCZIU-BKUYFWCQSA-N	360.888	6.374	50	40	FKGB	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	4514989	GMGJDZYTSROURA-FVIOEUFFSA-N	357.240	5.485	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)[C@@H]1C[C@@H]1c1ccccc1	5667008	ZQFSQCRNPJNROF-IXMPHMFNSA-N	364.448	5.247	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)nc1	408550594	IHTZCHDBRIDRTL-OYKKKHCWSA-N	363.464	6.015	50	40	FKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc(OCC)c1O	408852241	FGGDATCNYPOOKK-YVLHZVERSA-N	373.374	5.602	50	40	FKGB	
C=CC[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)CCCN1C(=O)OC(C)(C)C	1565504813	NBALLXXQBOROKD-HZPDHXFCSA-N	355.595	5.352	50	40	FKGB	
CC(=O)c1cccc(N/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1	4148674	QNTSCZOJUYZWKV-WJDWOHSUSA-N	363.417	5.128	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(F)c1	6961998	VWSMSFWAAOXHMF-WQRHYEAKSA-N	361.376	5.206	50	40	FKGB	
Cc1cccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1	408787055	QDMJWWKJNVOYOZ-HZHRSRAPSA-N	360.482	5.051	50	40	FKGB	
C[C@@H](Cl)C(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C	1250473	UZDSEPGAPMELIS-MRVPVSSYSA-N	355.937	5.415	50	40	FKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)c3ccccc3F)c3ccccc32)cc1	33764219	XJAWLLOBFCIRJF-ZHZULCJRSA-N	366.439	6.201	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(C#N)cc1	409373140	QTAHVQTWOHRVCM-MTJSOVHGSA-N	370.839	5.855	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccccc2F)ccc1OCc1ccccc1	1071246	IEZXRYHQLJDSFU-CPNJWEJPSA-N	359.400	5.477	50	40	FKGB	
Cl[C@H](c1ccccc1)[C@H](Sc1nc2ccccc2o1)c1ccccc1	4720943	GZLRHMLRFHIFDE-WOJBJXKFSA-N	365.885	6.641	50	40	FKGB	
CCCCCCCCC[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	102414474	XJNFXPNNSALNCC-HNNXBMFYSA-N	366.461	5.104	50	40	FKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)c1	408742943	CUDHYKFULILSFI-UYRXBGFRSA-N	370.408	5.003	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1	408774300	BYXBPBZZHBVRIY-UNOMPAQXSA-N	366.386	6.177	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)o2)cc1	408847769	ORTDPODFLILQTC-LGMDPLHJSA-N	374.465	5.593	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(F)c3)n2)c1	100601009	WIVCOXGKFWAAGO-RVDMUPIBSA-N	365.433	5.243	50	40	FKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)c1ccc2ccccc2c1	408549905	BGMJASDFMCGKDJ-KQWNVCNZSA-N	368.480	5.903	50	40	FKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408800719	OUYUGZWUEGHOTD-XDJHFCHBSA-N	368.436	5.259	50	40	FKGB	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	951511	KGSLEINYBDOIFN-LICLKQGHSA-N	368.864	5.326	50	40	FKGB	
CC(=O)N1c2ccccc2Sc2ccc3ccc(C(=O)CCl)cc3c21	1561130	UMTVLBHRIIZPNY-UHFFFAOYSA-N	367.857	5.411	50	40	FKGB	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)cs1	3997509	NIFICHMPYUMUJZ-PDGQHHTCSA-N	372.880	6.681	50	40	FKGB	
Cl[C@@]12OO[C@@](c3ccccc3)(O1)[C@H](c1ccccc1)c1ccccc12	104147651	IALBJXFCPBMPTH-NJDAHSKKSA-N	350.801	5.013	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	408529215	GMEDEJUJGDRGGG-ATVHPVEESA-N	368.864	5.373	50	40	FKGB	
CC(C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	1453357	JNFNKUBCHYDTRR-KPKJPENVSA-N	350.201	5.112	50	40	FKGB	
[C-]#[N+][C@H](c1ccccc1SC(C)(C)C)S(=O)(=O)c1ccc(C)cc1	95686558	VQVZNHJPGJZCGI-SFHVURJKSA-N	359.516	5.277	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3)n2)cc1	95481348	CNEABHLZIYWXDC-NTCAYCPXSA-N	365.433	5.324	50	40	FKGB	
CCCCCCCCCCCCCC(=O)N/N=C1\C(=O)Nc2ccccc21	100945882	ZETQQKBOUQYBNJ-UHFFFAOYSA-N	371.525	5.160	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)cc1	33762000	KHLWLYWPTAKNGZ-LCYFTJDESA-N	374.654	6.971	50	40	FKGB	
COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCl	793980	UVCKIFBKGSUONQ-UHFFFAOYSA-N	371.936	5.035	50	40	FKGB	
Clc1cccc(SSc2cccc(Cl)c2Cl)c1Cl	2570249	YMSJJKQJRQITBH-UHFFFAOYSA-N	356.126	7.100	50	40	FKGB	
O=C(NNc1ccc(Cl)c(Cl)c1)c1cc(C2CC2)nc2ccccc12	13020767	VOFFIJJUOWYBSK-UHFFFAOYSA-N	372.255	5.176	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1	408581236	HTXXADGOSQQFDB-XSFVSMFZSA-N	359.400	5.477	50	40	FKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCC2)c1C	408782533	JVPMJCOMYWCOEA-ZHZULCJRSA-N	361.489	5.328	50	40	FKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccccc4)cs3)c2n1	1805320	QEKYUTIOCNPCJB-QGOAFFKASA-N	368.465	5.643	50	40	FKGB	
Cc1ccc(C2(c3ccc(C)cc3)C[C@@H]2C(=O)NN=C2CCCCCC2)cc1	4409805	IYLNYNITKWHWAH-HSZRJFAPSA-N	374.528	5.436	50	40	FKGB	
CC(C)Oc1ccccc1/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	12532675	QOXWUWNYBPZOLW-GZTJUZNOSA-N	364.445	5.801	50	40	FKGB	
C[C@]1(CBr)[C@@H]2CC[C@@]1(C)c1nc3cc4ccccc4cc3nc12	108380799	PUTRYMYPKQATCU-UAOJZALGSA-N	367.290	5.333	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc2ccccc2c1	408598600	FJZRNSDBZKCSQG-ZVHZXABRSA-N	358.372	5.003	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccs1	855745	QOZSGUQWGKYXGD-DJKKODMXSA-N	365.241	5.079	50	40	FKGB	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@@H]1C2)c1sc2cc(Cl)ccc2c1Cl	4713951	UMJXUHFQIOWMBT-DMCYCDJZSA-N	367.301	5.360	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc4ccccc34)n2)cc1	4853277	IMNXQUYCCCWXQM-UYRXBGFRSA-N	368.461	6.036	50	40	FKGB	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(SC(F)F)cc2)o1	5690045	KIBGQIWKQWDTJC-LCYFTJDESA-N	363.385	5.120	50	40	FKGB	
C#CCOc1ccccc1/C=N/NC(=O)CCCCCCCCCCCC	98045803	ILTIWZLHYARFDO-HIXSDJFHSA-N	370.537	5.460	50	40	FKGB	
O=C(NN=C1CCCCCC1)c1ccc(CSc2ccccc2)cc1	4599773	XAQWFCCLZQQXBK-UHFFFAOYSA-N	352.503	5.419	50	40	FKGB	
C/C(=N/NC(=O)COc1ccccc1C(C)(C)C)c1ccc2ccccc2c1	4724417	JNSWQHXICDVPHJ-UQQQWYQISA-N	374.484	5.057	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1ccc(I)cc1	96836105	VNZDUQPECAPREG-UKTHLTGXSA-N	365.601	5.009	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)c1ccc(C(F)(F)F)cc1	409069851	AUSGUFVNFZSIEU-WJDWOHSUSA-N	360.354	5.509	50	40	FKGB	
CCOc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(C)cc1	5980216	WDAWOPHMNQACLQ-SNAWJCMRSA-N	372.262	5.272	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c1C	16362169	WDBOCERARGDOOT-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
CCCC/C(=N/NC(=O)Cc1c(C)[nH]c2c(C)cccc12)c1ccccc1	18192721	NGYKGNNNYYQSEU-DAFNUICNSA-N	361.489	5.038	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(C#N)c1	408568409	TZFQKRHLHZEUFT-OQLLNIDSSA-N	365.219	6.189	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@H]4CCCC[C@]43C)o2)cc1Cl	408955266	OLAYJJRZAGZHAM-VDALEZFKSA-N	370.880	5.185	50	40	FKGB	
Cc1cc2c(cc1C)N(C(=O)CCl)C(C)(C)c1ssc(=S)c1-2	2350974	IGBGCZKSDSIFFZ-UHFFFAOYSA-N	369.964	5.643	50	40	FKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(F)cc1	3177244	HAYRGQOHDHASSW-UHFFFAOYSA-N	373.456	6.040	50	40	FKGB	aggregator
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C1CC1	3516021	BXMSGEGRFFZRHH-JJIBRWJFSA-N	355.441	5.017	50	40	FKGB	
O=C(c1ccc2c3c(cccc13)CC2)[C@H](Br)c1ccccc1	3844988	RRDMJZWHYUVDLI-LJQANCHMSA-N	351.243	5.257	50	40	FKGB	biogenic
C/C(=N\NC(=O)c1ccccc1)[C@@]1(C)CC2=C(CCCC2(C)C)C[C@H]1C	4689736	LJFIFYWCVHSVRF-BVHRTNPNSA-N	352.522	5.735	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CC1	5414925	HLMVIMKQVJINNV-FYJGNVAPSA-N	358.894	5.148	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	7164419	IOTNBRIFFMVGHM-XMHGGMMESA-N	370.452	5.401	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(C(C)C)cc1	33797646	OYIPKBGULQIBNM-STZFKDTASA-N	358.460	6.421	50	40	FKGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc2ccccc2c1	12492775	GCQUEVTXPOTHLK-KOEQRZSOSA-N	352.437	5.076	50	40	FKGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl	408578877	BIHMXNKQCDWCDB-XNTDXEJSSA-N	372.649	5.179	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1Cl	408874158	ZLDSDCJNKGMDCQ-SFQUDFHCSA-N	366.848	5.013	50	40	FKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cccc2ccccc12	409001207	VLFZUUAWSCTFFI-HZHRSRAPSA-N	372.449	5.348	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1	848406	MUTXBUDATZZWAH-FOWTUZBSSA-N	350.215	5.773	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	948277	OMNAZQNGKXTTOH-OQLLNIDSSA-N	359.256	5.662	50	40	FKGB	
O=C1S/C(=N\c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)[C@@H]1Cl	3119918	FUCTVSUHOZOIRK-XEMYWUMJSA-N	371.676	5.326	50	40	FKGB	
Cc1ccc(C(=O)[C@@H](Cl)[C@@H](NC2CCCCC2)c2ccccc2)cc1	1690385	LGGVEHNTZPZMCA-SFTDATJTSA-N	355.909	5.449	50	40	FKGB	
C1C2CC3CC1CC(C2)C31SSC2(S1)C1CC3CC(C1)CC2C3	2053639	TWFWUJVQWLVWCR-UHFFFAOYSA-N	364.645	6.419	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3)n2)c1	4791669	XHRTYAKAILGOQB-OQLLNIDSSA-N	352.846	5.536	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)c(C)c1	6472861	PKXJAMUYVSRFOZ-RVDMUPIBSA-N	365.889	6.057	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)cc1	59335819	IKHAPVQARZISDH-SSZFMOIBSA-N	360.438	5.285	50	40	FKGB	
Cl[C@H]1C[C@H](C(Cl)(Cl)Cl)CC[C@H]1C(Cl)(Cl)Cl	104221471	JNTMWQZUXHDSDY-PBXRRBTRSA-N	353.331	5.751	50	40	FKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	408579561	HWLOULHYJFRJML-GZTJUZNOSA-N	356.263	5.611	50	40	FKGB	
C=CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br	408741657	MYZKJVYYLLLINP-GDNBJRDFSA-N	374.665	5.731	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc2ccccc2c1	408766200	SLARXGYOFBCUDY-ZVHZXABRSA-N	374.827	5.517	50	40	FKGB	
O=C(N/N=C/c1cccc2ccccc12)c1cc(C2CC2)nc2ccccc12	2320718	PHRXUZNKFGVXLZ-MFKUBSTISA-N	365.436	5.029	50	40	FKGB	
N#C/C(=C/Nc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	96024160	KKKGMPUNELTUDK-RAXLEYEMSA-N	372.280	6.093	50	40	FKGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](OP(=O)(c1ccccc1)c1ccccc1)C2	104131682	JEQQPNAFLBWHEX-NQSCKRDGSA-N	354.430	5.147	50	40	FKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1	408793605	FWCCOPPSBMAAKM-SFQUDFHCSA-N	367.880	5.040	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1cccc(Br)c1	1180350	AZOMTKUPNGAHQB-RVDMUPIBSA-N	368.205	5.912	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl	2958191	OZBNESKJDZPYKP-KPKJPENVSA-N	352.648	6.110	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccccc1Cl	6626399	ACYTZGJRSACYEV-ATVHPVEESA-N	350.824	5.951	50	40	FKGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(CSc2ccccc2)cc1	58915986	QUKLZQHNNYEKSD-FYJGNVAPSA-N	366.511	5.113	50	40	FKGB	
ClC1=C[C@@H]2[C@H]3[C@@H]4[C@H](C4(Cl)Cl)C4(CC4)[C@H]3[C@H]([C@H]1Cl)C21CC1	100675381	UCMPKRWKCHKHFK-VIELINSVSA-N	350.116	5.202	50	40	FKGB	
CCC/C=N\NC(=O)CCCCCCCCCCCCCCCCC	104166660	KGKIQHWIUTZVRV-LNVKXUELSA-N	352.607	7.150	50	40	FKGB	
ClC1=C[C@@H]2[C@@H]3[C@H]4[C@@H](C4(Cl)Cl)C4(CC4)[C@@H]3[C@H]([C@@H]1Cl)C21CC1	217358842	UCMPKRWKCHKHFK-HEVDSARHSA-N	350.116	5.202	50	40	FKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc(F)cc3)c2C)cc1	2801108	FMNQHCZCAKAEOV-XQNSMLJCSA-N	372.487	6.640	50	40	FKGB	
N#C/C(=C\c1ccc(C(=O)O)cc1)c1nc2cc(C(F)(F)F)ccc2s1	12779488	OIARKWKRBAJTJN-KPKJPENVSA-N	374.343	5.077	50	40	FKGB	
CC(/C=N\NC(=O)[C@@H](C)Nc1ccc(C)cc1)=C/c1ccc(C(C)C)cc1	28632516	MCAISERHHGOOTF-INZOOIQSSA-N	363.505	5.124	50	40	FKGB	
CC(C)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1	33348936	CUYUBPDRUQKDTR-UQQQWYQISA-N	356.469	5.092	50	40	FKGB	
CCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1	102600317	FIFFPFKESWVXNO-LJQANCHMSA-N	352.503	5.832	50	40	FKGB	
CCCCCCCCCCCCCCCC(=O)OCCNCCCl	104387615	GSSMEAKFGZNMGV-UHFFFAOYSA-N	361.998	5.839	50	40	FKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1	2852294	ZEJLZEJKSQGYLC-XNTDXEJSSA-N	374.665	5.731	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1	4681476	KBZRYQMUPDRARW-SFQUDFHCSA-N	353.849	5.441	50	40	FKGB	
CCCCCCCCCCCCCCCCCC(=O)NNc1ccccc1	104043567	BCYGVYUEYITQBZ-UHFFFAOYSA-N	374.613	7.391	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@@H](C)SCc1ccccc1	408843827	UGDBEZKIAKJEAP-KIJZHVTOSA-N	368.546	5.168	50	40	FKGB	
Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)[C@H](C)Cl	2296747	LLQZARSNJQMAPL-VIFPVBQESA-N	369.964	5.724	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1	4705563	ADWONHQOLUQKLU-NTCAYCPXSA-N	357.438	5.680	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC	5071103	SMMUBNYYROWIGD-GHRIWEEISA-N	361.445	5.205	50	40	FKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(F)cc3)n2)cc1	6306920	MRUTUXLCANHKQH-UNOMPAQXSA-N	362.473	6.212	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)c1nnc2n1CCCCC2	5445380	PWIJEBXGYVQGEM-XDJHFCHBSA-N	364.452	5.375	50	40	FKGB	
C/C(C[C@H]1CC2=C(CC1(C)C)C(C)(C)CCC2)=N\NC(=O)c1ccccc1	13810114	CEEKIVXITQUMRQ-SVVBGHPLSA-N	366.549	6.125	50	40	FKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(\C#N)c2ccc(F)cc2)cc1OC	15013779	USYBUXLEVPZVMQ-WFSQQTBHSA-N	359.828	5.729	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)N1CCc2ccccc21	41074215	YJUVGPMSUIMLCH-DTQAZKPQSA-N	374.827	5.096	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cccc(Cl)c3)n2)c1	6451214	BMJSEKKUFCKIIZ-SDNWHVSQSA-N	367.861	5.449	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCCC2)cc1)C(=O)c1ccc(F)c(F)c1	63454728	OUZFKEDGOSSTAZ-AQTBWJFISA-N	366.411	5.135	50	40	FKGB	
CCCCCCCCCC[C@@H](Br)C(=O)c1cc(C)ccc1O	102999182	ZBGKIMLCEVBYGH-QGZVFWFLSA-N	369.343	6.178	50	40	FKGB	
CCc1cc2c(cc1[C@]1(C)OC[C@H](CCl)O1)C(C)(C)CCC2(C)C	5477210	IQPQJBYDIZUVFQ-YCRPNKLZSA-N	350.930	5.425	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1	6209918	MHYVBEYUIGEAHT-XNTDXEJSSA-N	359.256	5.662	50	40	FKGB	
Clc1ccc([C@@H](Cl)C(Cl)(Cl)c2ccc(Cl)cc2)cc1	104253993	PCHMQSALZXYIBF-CYBMUJFWSA-N	354.491	6.604	50	40	FKGB	
BrC(Br)c1ccc2oc(-c3ccccc3)nc2c1	216828003	UCHKVRYBXAPVLF-UHFFFAOYSA-N	367.040	5.283	50	40	FKGB	
Cc1cccc(-n2cccc2/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C	408570980	ZZRDOQSXBFBTEW-WJDWOHSUSA-N	356.404	5.174	50	40	FKGB	
Cc1csc(/C(C#N)=C\c2cc3ccccc3nc2N2CCCCC2)n1	96843834	ISGWWRBPPLGIEQ-PDGQHHTCSA-N	360.486	5.054	50	40	FKGB	
O=C(NN=C1CCCC1)c1ccc(COc2ccc3ccccc3c2)cc1	5119559	JYODLLAJEDQARR-UHFFFAOYSA-N	358.441	5.079	50	40	FKGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(F)cc3)cs2)c1	13615791	SSVWBWFUAAUVSF-DHDCSXOGSA-N	366.417	5.031	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)c1ccccc1	14150441	USTDGTOPKTYNRN-DEDYPNTBSA-N	373.839	5.709	50	40	FKGB	
CC(C)(C)C1CCC(=NNC(=O)CSCc2ccccc2Cl)CC1	59472822	ZSRCMWONTWUZLQ-UHFFFAOYSA-N	366.958	5.282	50	40	FKGB	
C/C(=C\C=C\c1ccccc1)C(=O)OC(=O)/C(C)=C/C=C/c1ccccc1	68564285	RJPHSRPXVGEXPC-WITZSUAWSA-N	358.437	5.376	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1	209486709	PGXKUZBLNREFKJ-KGENOOAVSA-N	366.439	6.201	50	40	FKGB	
CC(C)c1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1	2765536	LILDQJDPBMUUGL-SRZZPIQSSA-N	356.878	5.442	50	40	FKGB	
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C#N)cc1	3273735	DHQLZSQZRGLGTF-UHFFFAOYSA-N	368.440	5.005	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c(Cl)c1	4827447	FQDZAWUCQAITJK-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)o1	4889426	WZTWKKZBWRGELO-LJROTCBLSA-N	361.228	5.255	50	40	FKGB	
ClC[C@H](Cl)CCCCCC[C@@H](Cl)CC(Cl)(Cl)Cl	103659953	BGUCVTBWQJKWCX-NXEZZACHSA-N	362.983	6.541	50	40	FKGB	in-vitro
CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl	408581431	WPFZCFHSGOWPIU-NTUHNPAUSA-N	352.648	6.110	50	40	FKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3ccccc3c2)c1C	408803954	BFVIIWARRVPUAB-QLPFJNHISA-N	371.484	5.069	50	40	FKGB	
CN(c1ccccc1)P(=O)(N(C)c1ccccc1)N(C)c1ccccc1	17595776	SXDAZEJYDNATRB-UHFFFAOYSA-N	365.417	5.504	50	40	FKGB	
N#C/C(=C\c1cccn1-c1ccc(Br)cc1)c1ccc(F)cc1	23382657	ZFJYUXOACMBJHV-NTCAYCPXSA-N	367.221	5.443	50	40	FKGB	
C[C@H](C(=O)Nc1ccc(SC#N)c(Cl)c1Cl)c1ccccc1	95471102	NTYMLOMKOOEQSI-JTQLQIEISA-N	351.258	5.309	50	40	FKGB	
CCCCCCCCCCCCCCCCN(CCCl)CCCl	104389769	JPGOXFFNLFSTEX-UHFFFAOYSA-N	366.461	7.247	50	40	FKGB	
O=C(Cl)c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	218720690	MWINECXCLUJHHE-UHFFFAOYSA-N	350.028	5.605	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)cc1	51012331	ADWONHQOLUQKLU-QINSGFPZSA-N	357.438	5.680	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(C(=O)O)cc1	408543578	OXVBFEZRRCVFIY-MOSHPQCFSA-N	373.383	5.167	50	40	FKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)c1ccc2ccccc2c1	408552370	SFHRQVUWYVKESA-HMAPJEAMSA-N	356.444	5.952	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(C#N)cc1	409372889	RZZQUXYDKJVLIM-DHDCSXOGSA-N	365.219	6.189	50	40	FKGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1	2203621	JBNLYZOPHMXKQZ-SDNWHVSQSA-N	371.387	5.805	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1cccc(C#N)c1	8378378	WMYKYSOYUZEFNY-NHDPSOOVSA-N	370.839	5.855	50	40	FKGB	
CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19818119	ZWACPOASERSGFC-VGSWGCGISA-N	374.871	5.225	50	40	FKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(C)C	5009741	TWEJDXSBVPGBMY-XNTDXEJSSA-N	350.443	5.156	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	6588678	CUWLYWOMRWBQFS-FOWTUZBSSA-N	370.383	5.665	50	40	FKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1C1CCCCC1	13895806	BEBMCWGIXJVUBC-AQTBWJFISA-N	365.452	5.295	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)c1	208206180	MXMZKTYIWIWGQZ-UEXNTNOUSA-N	373.500	5.263	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	408598518	CBFMIQJSYXLZNF-PTNGSMBKSA-N	364.788	5.881	50	40	FKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccccc3)o2)c1	408760989	BKFMUQFUAUWPTP-LGMDPLHJSA-N	374.465	5.593	50	40	FKGB	
CC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	23410513	YHKCDWLRIAYUEN-LCFDYFRESA-N	364.228	5.502	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3C)n2)cc1C	100839932	GGSNMAHFVPHXRV-UNOMPAQXSA-N	359.498	6.020	50	40	FKGB	
Br[C@@H]1c2ccccc2-c2ccc(/N=C\C=C\c3ccccc3)cc21	104379411	OATIBKVAMJLUTM-DGBQNSKHSA-N	374.281	6.567	50	40	FKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1	408539053	DXTLLGHIZVFFAX-JCMHNJIXSA-N	358.869	5.063	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	408580661	QJWHTUVOPNXKDS-WOJGMQOQSA-N	353.849	5.676	50	40	FKGB	
CCn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21	408599555	WISSNPRGEJRJQB-NTCAYCPXSA-N	358.470	5.503	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1	409360725	FPYJVUVTWZDMCI-ZHZULCJRSA-N	356.381	5.238	50	40	FKGB	
CC[C@@H](C)N(C)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CCl	1857794791	UKTRMBNGTPOCAC-OAHLLOKOSA-N	366.892	5.511	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	4700681	YQQGWCJCEPMZGQ-RCCKNPSSSA-N	369.464	5.941	50	40	FKGB	
CC(C)(C)c1cc(/C=C(/C#N)c2ccccc2F)cc(C(C)(C)C)c1O	33651911	GRYMUCBFTIXOHK-WJDWOHSUSA-N	351.465	6.190	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc(Cl)c1	408599590	WYFTWGRUXMKXIP-UKTHLTGXSA-N	374.654	6.971	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1	33396399	UDMORIBPTCYAKF-LGMDPLHJSA-N	353.425	5.487	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(Cl)cc1Cl	409016853	KHOGLOKKXXSESI-DHDCSXOGSA-N	365.219	6.189	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)cc1	2669488	AYAICADAQURTQD-JLHYYAGUSA-N	374.654	6.971	50	40	FKGB	
C/C(=N\NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc(C2CCCCC2)cc1	7076675	XDQVGZCHPZGOBG-ZILGIFHJSA-N	360.501	5.378	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F	90427224	JUDCHNDOWXZNGU-GXDHUFHOSA-N	369.852	5.888	50	40	FKGB	
Cl[C@H](c1ccccc1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1	4720942	GZLRHMLRFHIFDE-UXHICEINSA-N	365.885	6.641	50	40	FKGB	
N#C/C(=C/c1ccccc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	4813654	DDJWNRSFYNGTRE-JCMHNJIXSA-N	364.473	6.541	50	40	FKGB	
O=C(CCl)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1	33879692	LFMKEGDIJBNAKP-UBHYUHGRSA-N	364.876	5.048	50	40	FKGB	
N#C/C(=C/c1ccoc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1	4557638	CPLIDGBVPMXGTM-NDENLUEZSA-N	360.482	6.515	50	40	FKGB	
C[C@H]1CCC/C(=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)C1	5920710	FXDPRHREASGHJY-FLARGELVSA-N	357.457	5.198	50	40	FKGB	
CC/C(=N\NC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1cccc(Cl)c1	16043620	BXYVMQJOLGXNLO-HFPIQRBFSA-N	360.910	5.070	50	40	FKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)Cn2cnc3ccccc32)c1C	408691690	LZMHNLYIABTQSR-MOSHPQCFSA-N	366.468	5.359	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc(F)c1	409394312	YMFYMGDQLQAOJD-ZROIWOOFSA-N	367.763	5.501	50	40	FKGB	
COc1cc(/C=C(\C#N)c2cccc(F)c2)ccc1OCc1ccccc1	1060596	RIBLIDHBVMAKHK-UDWIEESQSA-N	359.400	5.477	50	40	FKGB	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2669678	MYADAAGRDDIKPV-LWMMSDEHSA-N	364.228	5.502	50	40	FKGB	
CC(C)(C)C1CCC(=NNC(=O)CSCc2cccc(Cl)c2)CC1	59401685	ATDKLACTOIGGBB-UHFFFAOYSA-N	366.958	5.282	50	40	FKGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)c2ccc(F)cc2)c1C	408910984	MKBKNIHVAMYWJU-NDENLUEZSA-N	374.415	5.304	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1Cl	409043688	TUZCFDDIDVVVEO-KPKJPENVSA-N	359.212	5.597	50	40	FKGB	
COc1c(CCl)cc(-c2cc(=O)c3ccccc3s2)cc1CCl	1611129	XWYSIHSASQGMNP-UHFFFAOYSA-N	365.281	5.415	50	40	FKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	4508755	OIKNNTQCNCTTEJ-FOWTUZBSSA-N	354.837	5.065	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)c1ccc2ccccc2c1	408551583	NZRIEDUXIZLXPN-KQWNVCNZSA-N	363.485	7.055	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	409020033	LOJSOSQNSAWPMT-NWFCWYBLSA-N	372.827	5.202	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1Cl	409052498	UEKHVJNWXKBFIX-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(C)cc1Cl)c1ccc(-c2ccccc2)cc1	9190648	DYRQBMLFNOTYPY-LFVJCYFKSA-N	362.860	5.469	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccccc2F)cc1Br	33786860	OOOCVNOZSAULSN-NWFCWYBLSA-N	374.253	5.830	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3[N+](=O)[O-])n2)cc1	100839806	MGOSDFJYTAUNNN-PTNGSMBKSA-N	362.414	5.003	50	40	FKGB	
COc1ccc2nc(/C(C#N)=C\c3cccn3-c3cccc(C)c3C)[nH]c2c1	409391979	MFUNTZNDPHBXIC-ATVHPVEESA-N	368.440	5.043	50	40	FKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)cc1	33629628	TVBITVIBLAUMDY-JWGURIENSA-N	372.487	6.640	50	40	FKGB	
CCOP(=O)(CCCCCCCCCCCBr)OCC	118812850	NMCCOIXBZHOCIW-UHFFFAOYSA-N	371.296	6.158	50	40	FKGB	
COc1cc2c(cc1/C=C/C#N)[C@H](C)CC(C)(C)N2C(=O)c1ccccc1	1740816389	BWOCFCDSOPECBJ-YCABEKBOSA-N	360.457	5.165	50	40	FKGB	
CC1=C(C#N)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19832409	UYRPIAODUSCYBR-KSFYIVLOSA-N	374.871	5.225	50	40	FKGB	
CCCCSC1=C(C#N)[C@H](c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1	20347620	QCGGTKCCGPRQSJ-SFHVURJKSA-N	360.910	5.158	50	40	FKGB	
N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cccc(Cl)c1	57414154	ZKOKKCRFSBUDNR-KTKRTIGZSA-N	366.635	5.105	50	40	FKGB	
CCCCCCCCOP(=O)(CCl)OCCCCCCCC	100115417	UCCOQWZAXSJORT-UHFFFAOYSA-N	354.899	7.130	50	40	FKGB	
Cc1cc(Br)cc(C)c1C(=O)CCCCCBr	575362431	LEKWARWSWDAGDG-UHFFFAOYSA-N	362.105	5.204	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1	4263940	XPQHKIUFNPMLMY-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@@H]1C2)c1sc2cc(Cl)ccc2c1Cl	4713950	UMJXUHFQIOWMBT-KKWCSUBESA-N	367.301	5.360	50	40	FKGB	
N#C/C(=C\c1ccccc1OC(F)F)c1nc(-c2ccccc2)cs1	5259712	WRQOZFXOODFBLD-XNTDXEJSSA-N	354.381	5.476	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)cc3C)n2)cc1	17186384	BKPAHZJNLTUFAK-UYRXBGFRSA-N	359.498	5.966	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	33283772	LFNHORHRYCKXKK-YBEGLDIGSA-N	358.363	5.374	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccc(Cl)cc1	33668153	BMIMDCRJYLTSDX-NDENLUEZSA-N	357.844	5.683	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)cc1	96024159	WVBOMTMWRWTOMC-KAMYIIQDSA-N	367.861	5.449	50	40	FKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	98210397	RKYSBDNZLYNDRW-MRVPVSSYSA-N	358.132	5.348	50	40	FKGB	
COc1ccc(/C=C/C(=O)Cl)cc1OCc1ccc(Cl)c(Cl)c1	217705310	UXIZSMOESVAAMC-QPJJXVBHSA-N	371.647	5.360	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1Br	408583903	YODSGXXYKQGJMZ-LFIBNONCSA-N	372.262	5.311	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1cccc2ccccc12	409315573	NSVFZWZWLPPRLL-QJOMJCCJSA-N	361.444	6.483	50	40	FKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1)c1ccccc1	16790721	FGBYIKANVMCPTF-AFDUHFSSSA-N	368.436	5.263	50	40	FKGB	
C/C(=N\NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)c1ccccn1	18102695	RQPJWNJDXSHFKM-DPWLSMTKSA-N	358.405	5.043	50	40	FKGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccccc1	20247384	UVCCVXWXOOXVJC-LFVJCYFKSA-N	372.493	5.030	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	145747310	GDFIQHJPDPEXFX-QNGOZBTKSA-N	372.487	6.595	50	40	FKGB	
O=C(Nc1ccc(Cl)cc1)[C@H](Cl)[C@H](Cl)c1ccc(Cl)cc1	1685428	CNWCXEKZZRZGDF-ZIAGYGMSSA-N	363.071	5.519	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	2054965	NDKNYLMAYXTCLU-SSDVNMTOSA-N	373.239	5.326	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)c(Cl)c1	408588418	WCYKVSQWQVPQBQ-NTEUORMPSA-N	374.654	6.971	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc(F)c1	409390470	FRBRIIJTXJTFOV-NTEUORMPSA-N	368.751	5.711	50	40	FKGB	
Cc1nc2c(c3c4ccccc4n(CCCCCl)c13)CCC(C)(C)C2	2090438	QWVQFIUTMKLBMM-UHFFFAOYSA-N	354.925	6.032	50	40	FKGB	biogenic
O=C(CCCCCCl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	2577709	ZBGLSPIKZWUBCW-UHFFFAOYSA-N	361.713	5.462	50	40	FKGB	
Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1	5044273	DMEMREIHGKWDFZ-XDHOZWIPSA-N	359.498	6.020	50	40	FKGB	
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](Cl)CC[C@@]43C)[C@@H]1CCC21OCCO1	118914980	JWVPKJKRSPZPMN-XSEPRYCASA-N	350.930	5.300	50	40	FKGB	biogenic
Cc1cc2nc(/C(C#N)=C\c3cc(Cl)c(O)c(Cl)c3)[nH]c2cc1C	408543011	MSHRRMDOMVHDNI-XGICHPGQSA-N	358.228	5.256	50	40	FKGB	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc21	2795041	NYFGBBVMLNHLMU-XNTDXEJSSA-N	363.848	5.421	50	40	FKGB	
CCc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	4957120	PODBSBVIXGTHMF-FOWTUZBSSA-N	361.426	5.345	50	40	FKGB	
Cc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)c3ccccc3)c2)cc1	6627516	ZHDITJMBEXYJRG-KGENOOAVSA-N	366.420	5.037	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1O[C@@H](C)CC	409390440	FLCWBEMTDIWFOP-DUPVFGOHSA-N	373.855	6.119	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(F)cc1	1453270	IJYYUSJLGSFBIZ-JLHYYAGUSA-N	358.199	6.457	50	40	FKGB	
FC(F)(F)c1ccc(SSc2ccc(C(F)(F)F)cn2)nc1	2570240	FKUBQFNUFKOTJJ-UHFFFAOYSA-N	356.316	5.314	50	40	FKGB	
O=C(N/N=C\c1cccc2ccccc12)C(c1ccccc1)c1ccccc1	4482244	RSFXXEYLQICPRJ-ITYLOYPMSA-N	364.448	5.122	50	40	FKGB	
N#CC(C#N)=C/C=C(\Sc1nc2ccccc2o1)c1ccc(Cl)cc1	5705077	LBEQMIIBYLENFG-ZDLGFXPLSA-N	363.829	5.588	50	40	FKGB	
C/C(=N\NC(=O)CSc1ccc(Cl)cc1)c1ccc(C(C)(C)C)cc1	59383036	SAYMZWUMUSYVQO-HYARGMPZSA-N	374.937	5.270	50	40	FKGB	
N#CC(C#N)=Cc1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408775059	YHBWXOZJSNEAMA-UHFFFAOYSA-N	363.873	5.518	50	40	FKGB	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408883770	WLUZDOIUXXKEHX-DTQAZKPQSA-N	354.837	5.065	50	40	FKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1	4793049	IRLUQPOLEDJBLI-RVDMUPIBSA-N	362.414	5.003	50	40	FKGB	
CCOc1ccc(/C=N\NC(=O)c2sc3cc(C)ccc3c2Cl)cc1	108605133	PMYJMFCCPCARLJ-NHDPSOOVSA-N	372.877	5.026	50	40	FKGB	
N#C/C(=C\c1ccc(O)c(Br)c1)c1ccc(Cl)cc1Cl	408580053	MTZMYFWFTAVIHY-BJMVGYQFSA-N	369.045	5.526	50	40	FKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1ccc(F)cc1	408870764	UOICXHRSHJKZHS-XMHGGMMESA-N	374.390	5.101	50	40	FKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)c1	32752541	QGHAYNIYALULCP-SFQUDFHCSA-N	360.388	5.248	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1)[C@H](C)CC(C)(C)N2C	208217459	OHNUZGUMZHTZAP-UEXNTNOUSA-N	373.500	5.263	50	40	FKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)c1C	408542357	LCTNKAFECPNLNG-XKZIYDEJSA-N	370.452	5.473	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccccc1Cl	408599169	PNYZECAYZQCMQQ-WQRHYEAKSA-N	367.279	6.465	50	40	FKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	408802674	FZRAGZGFASRMLA-XYOKQWHBSA-N	365.647	5.501	50	40	FKGB	
FC(F)(F)c1cc(Br)c(Cl)c(CBr)c1	575679303	TVUQDWWKXGMVJA-UHFFFAOYSA-N	352.375	5.016	50	40	FKGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1c1ccc(OCc2ccccc2)cc1	5500587	LBDKJWMEIQMNOS-UHFFFAOYSA-N	353.425	5.237	50	40	FKGB	
Cc1ccccc1[C@H](Br)C1=CC(C)(C)c2ccccc2C1=O	16973552	RKZOEFRPIITFLS-SFHVURJKSA-N	355.275	5.532	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2[nH]1	408598453	ASYUJOCYOPOMFN-DTQAZKPQSA-N	371.465	5.772	50	40	FKGB	
Cc1ccc(/C=C/C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	409054483	AMBZCVAGNKMIAA-KOASKHKRSA-N	364.448	5.465	50	40	FKGB	
Cc1ccccc1/C=C(/C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	4174849	MNTIQOUVCUTESS-NVNXTCNLSA-N	371.292	6.490	50	40	FKGB	
CC(C)(C)C1CCC(=NNC(=O)c2cc3c(ccc4ccccc43)o2)CC1	6298121	OWXJFHZGSMGBCX-UHFFFAOYSA-N	362.473	5.908	50	40	FKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C\c2ccc3ccccc3c2)cc1	17324032	PPMYGIZJPMLHFP-MOHJPFBDSA-N	370.496	5.625	50	40	FKGB	
CC(C)c1ccc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1	33348386	QZKNNAXWHVAALV-DWUPLCMKSA-N	362.517	5.361	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)cc1Cl	252494728	OCVFCBCQCKOROL-LFIBNONCSA-N	362.816	5.454	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1	408759469	FOQMPHRBPUMQQK-SSZFMOIBSA-N	360.438	5.285	50	40	FKGB	
CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C	96113529	YDVVOXNUMWFYCY-JVNBNBMGSA-N	369.549	5.802	50	40	FKGB	biogenic
COc1cccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)c1	100839752	RCVVIWVFERGACH-VBKFSLOCSA-N	361.470	5.412	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1	408579217	DUVDVIZORPZXID-CPNJWEJPSA-N	363.819	6.122	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)Sc1nc2ccccc2[nH]1	408598886	KRUUAJBQRGYLDM-LFIBNONCSA-N	361.401	5.619	50	40	FKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(Cl)cc1	408726535	MRMDZTRWRCRTHA-ZICWZVMQSA-N	367.301	5.014	50	40	FKGB	
Clc1ccc(COc2ccc(-c3noc(C(Cl)Cl)n3)cc2)cc1	2570542	TUILMWALHINBOI-UHFFFAOYSA-N	369.635	5.445	50	40	FKGB	
N#C/C(=C\c1ccc(F)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	4256673	QWECBUMJIXTOGY-OQLLNIDSSA-N	374.396	5.120	50	40	FKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)o2)cc1	5976426	QAKSOZDPNHNQRI-PDGQHHTCSA-N	358.353	5.122	50	40	FKGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12	102980461	HUMVPLQWKLAINA-IHLBYEDJSA-N	363.486	5.259	50	40	FKGB	
CC(C)[C@@H](Br)CC/C(CBr)=C(/Cl)CCl	104311012	UXRINMVIUVVTLH-CUQRQBARSA-N	366.952	5.313	50	40	FKGB	
ClC1=C[C@H]2[C@@H]3[C@@H]4[C@H](C4(Cl)Cl)C4(CC4)[C@H]3[C@@H]([C@H]1Cl)C21CC1	105295507	UCMPKRWKCHKHFK-FLBRNSGTSA-N	350.116	5.202	50	40	FKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1C(C)C	409053846	RANPNSIOXRDRQK-FSJBWODESA-N	372.896	5.243	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OC(C)C	409389925	CXMCHHOTATTZKP-PXNMLYILSA-N	359.828	5.729	50	40	FKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccccc1F	34736288	IYZLLZGJJPWRMN-OWBHPGMISA-N	367.221	5.443	50	40	FKGB	
C[C@@H](Cl)CN(C[C@@H](C)Cl)c1ccc(/N=N\c2ccccc2)cc1	104184901	NHGTUDJKVXBFSP-ZFDOYQCNSA-N	350.293	6.163	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1ccccc1F	108996129	OLXISKVGOUWVAT-KAMYIIQDSA-N	368.205	5.912	50	40	FKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	408887597	PFEATJAIOYREAJ-MFKUBSTISA-N	368.436	5.074	50	40	FKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)Nc2ccccc2C)c1C	408966984	OPKNFIIYPJIUHV-IWIPYMOSSA-N	374.488	5.121	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408797083	FSSRGWLOEVPCPY-GZTJUZNOSA-N	366.848	5.067	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3cc(C)ccc3C)n2)c1	2282356	GGTRGBFQRWXEOH-ATVHPVEESA-N	361.470	5.412	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(CC)cc1	4722839	IDXWMKWBIZJKQK-CYVLTUHYSA-N	370.452	5.347	50	40	FKGB	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)Nc1ccc2ccccc2c1	15012238	UIWAPEZKEXWPPN-PTNGSMBKSA-N	350.780	5.178	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1	33296742	WJVVIEVBHAAVDY-UYRXBGFRSA-N	373.431	5.087	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)c1ccc2ccccc2c1	408553098	XDQDEROXXVUANI-HKWRFOASSA-N	353.446	6.648	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/CC1CCCCC1	1621678	IKPVMGHIPHAAAU-PXLXIMEGSA-N	355.353	5.278	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)c1ccc(C(F)(F)F)cc1	408961678	UNTBXALKRGZOMV-JXAWBTAJSA-N	356.391	5.760	50	40	FKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2o1	409046687	LFJRRSNLEYQOHG-MDWZMJQESA-N	371.223	5.764	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)cc1	33666322	CSXOOVPCFLUXIN-BKUYFWCQSA-N	371.440	5.629	50	40	FKGB	
CSc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408759634	IIHQVCGDZRWFQI-WQLSENKSSA-N	363.269	5.261	50	40	FKGB	
CCCCCC(/C=N/NC(=O)c1cccc2ccccc12)=C\c1ccccc1	17428373	XCJOWVJSYBNYQX-YHBSDWMLSA-N	370.496	6.219	50	40	FKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccccc2)cs1	100860075	OZRGMOLAJASSGT-RVDMUPIBSA-N	351.862	5.749	50	40	FKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(\C#N)c3ccccc3)cc21	208244563	XVWWFZGICNCCHH-ZNBBLSJYSA-N	350.893	6.126	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)c1ccc(C(F)(F)F)cc1	409009092	VWSCYVNQFDPDMZ-PTNGSMBKSA-N	357.306	6.169	50	40	FKGB	
O=P(Oc1ccccc1)(Oc1ccccc1)N(CCCl)CCCl	1572999	RSEXHVSFNVWCBR-UHFFFAOYSA-N	374.204	5.032	50	40	FKGB	
Cc1cccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1C	4063749	BSLLXNCGCUMXPS-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
FC(F)(F)c1cccc(SSc2cccc(C(F)(F)F)c2)c1	32288785	SRAFZYUBUWGSRH-UHFFFAOYSA-N	354.340	6.524	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(N(C)C)cc1	33660428	DCCDCVVSMRJAMF-RGEXLXHISA-N	359.448	5.363	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)cc1	948279	HTCYOILXOPNEIP-MHWRWJLKSA-N	369.262	5.118	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3c(s2)C[C@H](C)CC3)c(C)n1-c1ccccc1	5575419	ARFLGSJNGUZGHA-DQPIFXJKSA-N	373.525	5.740	50	40	FKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccn1	6269810	YPJAQQCGLFJWCT-SSZFMOIBSA-N	354.438	5.060	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1	208206100	HNWIFYGTIAVFAM-UEXNTNOUSA-N	373.500	5.263	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl	408580366	OXDRCNCZJHJKOV-MDWZMJQESA-N	366.675	6.500	50	40	FKGB	
Cc1cc(Nc2ccc(N(CCCl)CCCl)cc2)c(C)cc1O	4774372	UNTMZLNSKGKHBJ-UHFFFAOYSA-N	353.293	5.037	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4ccccc4)c3C)nc2c1	107698426	DAJIHBMBOJLPNH-CPNJWEJPSA-N	352.441	5.343	50	40	FKGB	
CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2669722	MYDYFAXWJCIQSK-XYOKQWHBSA-N	364.228	5.360	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccccc3)cc2)cc1	3222058	PLDIEXOUEYGTQE-CAPFRKAQSA-N	368.436	5.587	50	40	FKGB	
C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O[Si](C)(C)C	257437096	HNZDTAXZHUDITM-UQOPEDAQSA-N	360.614	5.738	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)c1ccc(C(=O)O)cc1	408542015	JATXKZRTUPYJLO-STZFKDTASA-N	355.393	5.028	50	40	FKGB	
CCCCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2o1	33775136	XRHANFPVWUYJDI-RVDMUPIBSA-N	352.821	5.724	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1F	107795310	BNYPHOORJYZTOH-AQTBWJFISA-N	374.371	5.377	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1OCC	408599071	OHAVCLCVJSHBTD-RVDMUPIBSA-N	365.458	5.017	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(=O)Nc1ccc(Cl)cc1	409005877	GFECSHRXZWXUON-RVDMUPIBSA-N	373.799	5.017	50	40	FKGB	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	2783143	MRFGFEJIDLQCMU-KAMYIIQDSA-N	373.283	5.837	50	40	FKGB	
C=C1[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O	204135650	ITBIDWSGCHAPLY-ZACQAIPSSA-N	372.698	5.336	50	40	FKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	408803034	KOBPIKUGNXKYAN-LICLKQGHSA-N	368.864	5.229	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C(C)C)c(O)c(C(C)C)c1	408853585	PYCUGYLXGTVBID-VCHYOVAHSA-N	362.473	5.493	50	40	FKGB	
CC(C)(CCl)C(=O)c1ccc(N(c2ccccc2)c2ccccc2)cc1	575359093	QFJGSNHFLKUPAU-UHFFFAOYSA-N	363.888	6.604	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	1090994	SSLSTOMJSCPUSQ-YRNVUSSQSA-N	351.620	5.192	50	40	FKGB	
CC1(C)[C@H]2CC[C@]1(C)[C@H](OP(=O)(c1ccccc1)c1ccccc1)C2	104131685	JEQQPNAFLBWHEX-UCNVEGJOSA-N	354.430	5.147	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Cl	107729644	QNKUKOYKSICVGR-LWLPBDFMSA-N	356.809	5.490	50	40	FKGB	
N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccc(F)cc1	1211660	ZTHQJVUCRHZDHF-WYMLVPIESA-N	364.401	5.116	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)c1cccc([N+](=O)[O-])c1	33701208	ADHSYWYCQAMUQB-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C(C)(C)C)c1	59384089	YTABQUAAXJTHLU-ZVHZXABRSA-N	370.924	5.699	50	40	FKGB	
CCCCC/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1	4178145	HEGBQYYRHHIIRE-FLFQWRMESA-N	360.457	5.260	50	40	FKGB	
CC(C)COC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	5214602	LEGNOOGYAZRBQL-NTEUORMPSA-N	363.335	5.072	50	40	FKGB	
C[C@H](SCc1ccccc1)C(=O)NN=C1CCCCCCCCCCC1	20248466	RHZOEADUDIOYER-IBGZPJMESA-N	374.594	6.085	50	40	FKGB	
BrCc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1	41127380	CIDIPCIHQKLSPR-UHFFFAOYSA-N	364.242	6.057	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C)c3C)n2)c(C)c1	100839931	WGWHMDZVJYHIHD-PDGQHHTCSA-N	359.498	6.020	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1cccc(Cl)c1	408599541	VZMLGKLIVNHRNQ-LCYFTJDESA-N	368.751	5.711	50	40	FKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	1041591	WVFSGMDSYBOAEP-DEDYPNTBSA-N	356.381	5.238	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	1064957	WJVVIEVBHAAVDY-CPNJWEJPSA-N	373.431	5.087	50	40	FKGB	
C/C(=N/NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc2ccccc2c1	35404737	XWXINPHWZOXCHJ-UQQQWYQISA-N	374.484	5.057	50	40	FKGB	
Cc1cc(C=C(C#N)C#N)cc(C)c1OCc1ccc(Br)cc1	408857106	SELPKWXDIYDWSC-UHFFFAOYSA-N	367.246	5.076	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1	4681934	WCRFTKKTVDNLHS-SFQUDFHCSA-N	353.849	5.441	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2)cc1	40889220	FNCVEIDWNHAWNF-QNGOZBTKSA-N	368.436	5.120	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Cl	59117412	NNYLXXZPKUMKQW-XFFZJAGNSA-N	351.620	5.192	50	40	FKGB	
N#C/C(=C/c1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	59117582	UNKDDDZSNSNHKN-XFFZJAGNSA-N	356.212	5.020	50	40	FKGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1ccc(Cl)c(Cl)c1	408589280	ZYALRGHUFRZKRE-QDEBKDIKSA-N	352.604	5.440	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408803517	PXPNHDCLNUQSGO-NTEUORMPSA-N	373.239	5.104	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	5214355	GCOXJYKCIRXTBF-FOWTUZBSSA-N	362.816	5.454	50	40	FKGB	
O=C(Cl)c1ccc2oc(-c3cc(Cl)c(Cl)c(Cl)c3)nc2c1	45919931	RYZMGKBNBRZTRA-UHFFFAOYSA-N	361.011	5.834	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1	408587124	QMVRZNOLMVMMMV-WQRHYEAKSA-N	367.279	6.465	50	40	FKGB	
Cn1cc(-c2nc(C(Cl)Cl)nnc2-c2ccccc2)c2ccccc21	721185	VUCZVJMLIUGRMO-UHFFFAOYSA-N	369.255	5.174	50	40	FKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1	6282822	KEODTIOFFUMAQP-SFQUDFHCSA-N	374.827	5.678	50	40	FKGB	
Cc1cccc(/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)c1	9434869	DUUZVTCQRVXILM-WNAAXNPUSA-N	372.512	5.080	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1	33762001	XFECHOOMCOUYOE-LCYFTJDESA-N	374.654	6.971	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	34871439	JJHHWRLWUDKFLF-UVTDQMKNSA-N	354.331	5.285	50	40	FKGB	
C#CCn1c(C)c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	408588949	XJNYFUTZQHGFOJ-LFIBNONCSA-N	365.263	5.954	50	40	FKGB	
CC[C@@H](C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408603055	PVFKZWZMFIYEOD-RGHBXIHOSA-N	354.837	5.063	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@@H](Cl)[C@H](Cl)c1ccc(Cl)cc1	1685392	WLCPJJHSEPUWAK-NEPJUHHUSA-N	354.085	5.825	50	40	FKGB	
COc1ccc(/C=N/C2=C(C#N)C3(CCCCC3)Cc3ccccc32)cc1	2066648	RNVFDFFAHSOXEH-YZSQISJMSA-N	356.469	5.556	50	40	FKGB	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2669690	WZKOXIOKZBJVJE-KAQJVSAMSA-N	364.228	5.502	50	40	FKGB	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	3307841	XIJKAMSKPHDUPB-HMMYKYKNSA-N	360.501	5.655	50	40	FKGB	
COc1ccc(/C=C(\C#N)c2nc(C)c(/N=N/c3ccccc3)s2)cc1	4419422	NFYOPPNOTOIDJD-JWNKBBRJSA-N	360.442	5.940	50	40	FKGB	
COc1cccc(/C=C(\C#N)c2nc3ccccc3s2)c1OC(C)C	6410344	MOFFOVJKYZEVRK-RVDMUPIBSA-N	350.443	5.156	50	40	FKGB	
ClC1=C[C@H]2[C@H]3[C@@H]([C@@H]([C@@H]1Cl)C21CC1)C1(CC1)[C@@H]1[C@@H]3C1(Cl)Cl	108519609	UCMPKRWKCHKHFK-FRZQVPDKSA-N	350.116	5.202	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(F)ccc3C)n2)cc1C	4135186	OITDDKZLCKFOQD-GZTJUZNOSA-N	363.461	5.851	50	40	FKGB	
C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(C)cc1	12464524	ZLMNJTSFYRTGEA-BWAHOGKJSA-N	369.468	5.033	50	40	FKGB	
N#C/C(=C/c1cccc(Br)c1)Sc1nc2ccccc2s1	17076403	GKTFRBTXLAEIAB-LCYFTJDESA-N	373.300	5.716	50	40	FKGB	
CCN(CC)CCOc1ccc(/C(C#N)=C/c2ccc3ccccc3c2)cc1	1692240	PPMYGIZJPMLHFP-HKOYGPOVSA-N	370.496	5.625	50	40	FKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2cccs2)cs1	4843955	AEEMLFSWYOVSKK-XYOKQWHBSA-N	373.300	5.698	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)Sc2nc3ccccc3[nH]2)c(OCC)c1	408598937	LOZCKDRYVFWGEJ-WJDWOHSUSA-N	365.458	5.017	50	40	FKGB	
Cc1ccc(CSCC(=O)NN=C2CCCCCCCCCCC2)cc1	408779757	JWDPXOXYLOVUCK-UHFFFAOYSA-N	374.594	6.005	50	40	FKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc(F)c1	409391222	IBHOZIMTCCARDJ-MOSHPQCFSA-N	352.412	5.893	50	40	FKGB	
C[C@@H](CN1c2ccccc2Sc2ccc(Cl)cc21)N(C)CCCl	5929438	RGEHNLGHIZDCPD-ZDUSSCGKSA-N	367.345	5.502	50	40	FKGB	
CCCCOc1ccc(/C=C(\C#N)c2nccn2Cc2ccccc2)cc1	12547932	FSJBURDNAJNRCS-LTGZKZEYSA-N	357.457	5.174	50	40	FKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)cc1Cl	408691643	JVEPVWNYTMNUAT-YBEGLDIGSA-N	373.843	5.865	50	40	FKGB	
O=C(CSCCc1ccccc1)NN=C1CCCCCCCCCCC1	408728036	UXMFBKINZUWONY-UHFFFAOYSA-N	374.594	5.739	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1	408763015	QWYSUTKZBXUOER-ZDLGFXPLSA-N	367.279	6.465	50	40	FKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)c3cccc(F)c3)c3ccccc32)cc1	409393617	RJWUWCAAXMKODS-BKUYFWCQSA-N	366.439	6.201	50	40	FKGB	
O=C(N/N=C/c1ccc2ccccc2c1)C(c1ccccc1)c1ccccc1	2132896	HVHGARBHLVNZSF-NLRVBDNBSA-N	364.448	5.122	50	40	FKGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCC(Cc3ccccc3)CC2)cc1	2597575	VBADDMRMHYMSOE-ROTLSHHCSA-N	367.496	5.264	50	40	FKGB	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	3264166	BKYYANPYJXNDOS-GHRIWEEISA-N	368.864	5.311	50	40	FKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3)n2)cc1	13773877	QNDGXSNBAORKBI-RGEXLXHISA-N	359.498	5.985	50	40	FKGB	
CC(/C=N/NC(=O)C(c1ccccc1)c1ccccc1)=C\c1ccccc1	17206853	NVJYWXUIXACKFX-VUHAVAIXSA-N	354.453	5.024	50	40	FKGB	
ClCCN(CCCl)c1ccc(/C=N\c2cccc(Cl)c2)cc1	104079021	DPYDZMITXFBWNO-BKUYFWCQSA-N	355.696	5.375	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	7078335	SYIYSEODYUMAAV-ATTDUZETSA-N	356.809	5.490	50	40	FKGB	
CCOc1cc(C(=O)Cl)ccc1OCc1ccc(Cl)cc1Cl	217706100	CLEUOFUFDVJDCY-UHFFFAOYSA-N	359.636	5.350	50	40	FKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1	6961769	PQQCYSHSIOSCCF-UYRXBGFRSA-N	373.412	5.075	50	40	FKGB	
O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@H](Cl)c1ccccc1	575361164	SCPFQCTYPPCAIE-CYBMUJFWSA-N	366.688	5.887	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(C)cc1C)c1ccc(Cl)c(Cl)c1Cl	4863630	HJVZWJACNCDCDU-SRZZPIQSSA-N	369.679	5.418	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(Cl)cc2Cl)cc1	6212643	KKFNOQOHEVFHEU-SDQBBNPISA-N	365.647	5.501	50	40	FKGB	
Cc1ccc2nc(C)c(C(=O)NN=C3CCCCCCCCCCC3)n2c1	653854	IWIPWMUQVVGABL-UHFFFAOYSA-N	368.525	5.342	50	40	FKGB	
COc1ccc(CC(=O)NN=C2CCCCCCCCCCC2)cc1OC	4776290	PVJFJPIJZAKXGU-UHFFFAOYSA-N	374.525	5.023	50	40	FKGB	
N#C/C(=C\c1cccc(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	34909549	BXXDRTHAMWUQCI-MKMNVTDBSA-N	366.829	5.256	50	40	FKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)c1	197550136	RJBMAQSGOSZHBL-HYARGMPZSA-N	370.452	5.335	50	40	FKGB	
OB(O)c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1	197951718	YNDGEMZBYUVHTH-UHFFFAOYSA-N	374.248	5.007	50	40	FKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1	408764044	IBUWQXKMQJGUBO-XNTDXEJSSA-N	359.256	5.662	50	40	FKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)c2)cc1C(C)C	408854368	DHFYNMMHIOTLSN-YBFXNURJSA-N	362.473	5.290	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)cc1	6343503	PLDIEXOUEYGTQE-SILNSSARSA-N	368.436	5.587	50	40	FKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(\C#N)c2ccc(F)cc2)cc1OC	15013778	USYBUXLEVPZVMQ-BPKVKKHESA-N	359.828	5.729	50	40	FKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	35419538	DKRXQIZVPCOPER-FYJGNVAPSA-N	358.510	6.381	50	40	FKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(C(C)(C)C)cc1	59133349	ILKDAXFMEOPAKE-LFIBNONCSA-N	352.865	5.492	50	40	FKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1C1CCCC1	408777544	BROYINXHXLRDEP-ATVHPVEESA-N	367.880	5.419	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3)n2)c1	96024168	BMJSEKKUFCKIIZ-KAMYIIQDSA-N	367.861	5.449	50	40	FKGB	
C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)CCl)CC[C@]3(C)[C@H]1CC2	118925362	JILNZFBOTCLXDL-ZKHIMWLXSA-N	350.930	5.490	50	40	FKGB	
Cl[C@@H](c1ccccc1)[C@@H](Sc1nc2ccccc2o1)c1ccccc1	4720944	GZLRHMLRFHIFDE-PMACEKPBSA-N	365.885	6.641	50	40	FKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1	33347192	RKZACFNXVSWXJI-STZFKDTASA-N	370.408	5.546	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)c1nc2ccccc2s1	5737053	GMTVFMYSQMOFIL-UYRXBGFRSA-N	368.461	5.939	50	40	FKGB	
Cc1ccccc1Cn1cc(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc21	33711537	GMFMXCUOQVEABG-OEAKJJBVSA-N	373.459	5.934	50	40	FKGB	
CCCCCCCCCCCCCCCCCC(=O)CBr	104358803	VHAUVBNSUSTZKG-UHFFFAOYSA-N	361.408	7.212	50	40	FKGB	
CCN(CC)c1ccc(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)cc1	948329	YUMKWHYAUPVYQO-HMMYKYKNSA-N	361.489	5.202	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1cc2ccccc2cc1O	4502834	LJLAKUIHVNDQDK-LFVJCYFKSA-N	360.457	5.019	50	40	FKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccco2)cs1	4793455	WMUPXZCTJXXEHA-XYOKQWHBSA-N	357.232	5.230	50	40	FKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	6430499	JFVMQDNRZHZRMX-GXDHUFHOSA-N	354.331	5.285	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(Cl)cc1	6528906	GKLUHSMITIVQOL-KAMYIIQDSA-N	350.761	5.572	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(C)ccc3C)n2)cc1	17026207	NOAZJAJNNSAFCA-ATVHPVEESA-N	361.470	5.412	50	40	FKGB	
CC(C)c1ccc2oc(-c3cc(NC(=O)CCl)ccc3Cl)nc2c1	226328455	UXVYFMTYSJNVJZ-UHFFFAOYSA-N	363.244	5.449	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2cccc(F)c2)c(C)n1-c1ccc2c(c1)OCO2	1062524	WRFLCGJWCRAZIR-GIJQJNRQSA-N	360.388	5.026	50	40	FKGB	
CCCCCCC(/C=N/NC(=O)c1ccccc1O)=C\c1ccccc1	15980515	VTNUTWMZBCJEHQ-MRDIXRINSA-N	350.462	5.162	50	40	FKGB	
ClCCN(CCCl)c1ccc(/C=C/c2ccnc3ccccc23)cc1	38142965	VDKDHRVFXLQTKV-VMPITWQZSA-N	371.311	5.689	50	40	FKGB	
C[C@H]1CCCC/C1=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12	102980464	HUMVPLQWKLAINA-WYOZQYPVSA-N	363.486	5.259	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1	208206140	HNWIFYGTIAVFAM-LSPINASFSA-N	373.500	5.263	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C	223532431	JMWLOQQVORIOMW-JJBLJPBOSA-N	364.920	6.516	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccccc1	409359290	BFOSSDQQPGTYMX-MOSHPQCFSA-N	356.381	5.238	50	40	FKGB	
N#CSCc1c(Cl)c(Cl)c(CSC#N)c(Cl)c1Cl	1606888	UOJCTAJBIMBPDE-UHFFFAOYSA-N	358.102	5.729	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(C)c3)n2)c(C)c1	2289825	HRAMCZYRSPAOHW-LDADJPATSA-N	359.498	6.020	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)cc1	59137647	KDKLFKWWAXKOIX-KAMYIIQDSA-N	366.779	5.285	50	40	FKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)c1ccc(C(F)(F)F)cc1	409108381	XDCQFQJIYXBVFW-ZROIWOOFSA-N	351.755	5.822	50	40	FKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3ccc(F)cc3)cc2[C@H](C)CC1(C)C	208319849	XHKJQBBCQPEBLF-SYERDGIWSA-N	362.492	6.310	50	40	FKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1	408813076	DSYQDAMMCLPTIX-XSFVSMFZSA-N	352.412	5.893	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)c1	408881157	JWVRIRCRVAWZSA-RCCKNPSSSA-N	370.427	5.271	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)c3ccc4c(c3)OCO4)c2)cc1	409360785	FVHISTQBAIVHAG-NHDPSOOVSA-N	369.420	5.367	50	40	FKGB	
CC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	2669706	XVMIXRYOOCXGIL-HLVNSREUSA-N	363.335	5.214	50	40	FKGB	
N#C/C(=C/C1CCCCC1)c1nc(-c2ccc(Br)cc2)cs1	6846971	TWQBFPDQEAEKON-GDNBJRDFSA-N	373.319	6.060	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)Sc1nc2ccccc2s1	33573938	GIUQHEMECJEGNC-YRNVUSSQSA-N	373.846	5.515	50	40	FKGB	
OCc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1CCl	77028771	RBKPMQYLYSYMGI-UHFFFAOYSA-N	351.877	5.125	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4)o3)[nH]c2cc1C	408542095	GRDSOJMIIKRVJX-LFIBNONCSA-N	373.843	6.157	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(Br)c3)[nH]c2cc1C	408543314	NXIUQVJBFIRHOS-RIYZIHGNSA-N	352.235	5.006	50	40	FKGB	
N#C/C(=C\c1cccn1-c1cccc([N+](=O)[O-])c1)c1cccc2ccccc12	6423366	QNIPHQSWFXTBGA-NBVRZTHBSA-N	365.392	5.603	50	40	FKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1C	7746835	AEPUXEAQXIPAER-XDJHFCHBSA-N	370.452	5.483	50	40	FKGB	
O=C(NN=C1CCCCC1)c1ccc(CSCc2ccccc2)cc1	59473027	XKGPWUBWQLLOBK-UHFFFAOYSA-N	352.503	5.170	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)Nc1ccc(O)cc1	409379079	VDYPHJONGJGCRJ-VKAVYKQESA-N	372.449	5.089	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)=O)cc3)n2)cc1	1310336	DJECECPZMTUCHR-CPNJWEJPSA-N	373.481	5.552	50	40	FKGB	
O=C(NNc1c(Cl)cc(C(F)(F)F)cc1Cl)Nc1ccccc1	5523431	YAJMJWLXNWEEES-UHFFFAOYSA-N	364.154	5.161	50	40	FKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)cc2)c1	6207100	CNEPJUUIHRLEMQ-BKUYFWCQSA-N	370.408	5.546	50	40	FKGB	
CSC(SC)=C1CCCC(=C(SC)SC)C1=C(C#N)C#N	4293606	ZBKYYVFFTPGHEJ-UHFFFAOYSA-N	354.591	5.389	50	40	FKGB	biogenic
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1	33881572	JZJJXUCZMYNYOA-ATVHPVEESA-N	372.859	5.688	50	40	FKGB	
CC(C)c1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C(C)C)c1O	408849597	XNKKCIMYHCTSEA-SSDVNMTOSA-N	358.869	5.056	50	40	FKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1	408981773	BRUPYEQRWMMVNR-LGMDPLHJSA-N	367.880	5.040	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1C	59133431	WFNGVMXUOXPZPG-ZHZULCJRSA-N	368.436	5.641	50	40	FKGB	
Cc1cc(NC(=O)CSC#N)cc2nc(-c3cccc4ccccc34)oc12	226327998	XQFRPAWGCWBLMH-UHFFFAOYSA-N	373.437	5.109	50	40	FKGB	
CC/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccccc1O	5384933	DWRJOSZCCRLIBE-KGENOOAVSA-N	372.877	5.113	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1F	34765161	HCOXTVBJHMKLKR-SSZFMOIBSA-N	365.860	6.694	50	40	FKGB	
CCCCCCCCc1ccc(OCCN(CCCl)CCCl)cc1	104084750	WQAWFFWZOMDTPP-UHFFFAOYSA-N	374.396	5.748	50	40	FKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc(C#N)c1	408566405	GESIKXSLQRETDY-NHDPSOOVSA-N	370.839	5.855	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1	6943718	IISJNAUBRCPNEZ-STZFKDTASA-N	371.440	5.629	50	40	FKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(C)cc1	33732442	BVCZEDRBSFBDHX-MOSHPQCFSA-N	373.427	5.786	50	40	FKGB	
N#C/C(=C\Nc1cc(Cl)cc(Cl)c1)c1ccc(OCCCF)cc1	100418636	GRILHEYRRARTSB-WYMLVPIESA-N	365.235	5.708	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)c1ccc2ccccc2c1	109018320	DEGQSLHBHHJTMM-STZFKDTASA-N	365.388	5.862	50	40	FKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(C3CCCC3)c2C)c1	408772509	MIYVCWNDSJCBDK-MOSHPQCFSA-N	361.489	5.383	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccnc4)c3C)[nH]c2cc1C	408778719	XMAVSBPKAJUIIO-ODLFYWEKSA-N	367.456	5.046	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1	409360311	DSHGBAGUJGQUTG-UVTDQMKNSA-N	350.761	5.572	50	40	FKGB	
CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(CC)cc2)cs1	6356359	KRZTXODWZMYDPR-UYRXBGFRSA-N	360.482	5.835	50	40	FKGB	
C[C@H]1CC[P+](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21	73258685	HPUOAAXRMRYCQV-FQEVSTJZSA-N	367.452	5.641	50	40	FKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1Cl	408580340	OPFQCILWSRJCEV-RIYZIHGNSA-N	364.659	6.276	50	40	FKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	20243948	XEIQXTFGPCWWEO-CYGNYLSHSA-N	374.937	5.268	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2C)cc1C	35240065	GSTOKDNPPJCPSB-STZFKDTASA-N	369.468	5.257	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3cccc(F)c3)c2)cc1	408583709	WVZSJEOPHXQAJK-UDWIEESQSA-N	359.400	5.477	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[nH]c2c1	33926864	QFTJMDXQIISZOP-PTNGSMBKSA-N	370.368	5.104	50	40	FKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(Oc3ccccc3)c2)cc1	59133440	DXYFCIDLXCQDKC-JXAWBTAJSA-N	370.408	5.033	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1cccc2ccccc12	408567243	LADVIXZQOKNHEA-IWIPYMOSSA-N	373.459	6.183	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1c(Cl)cccc1Cl	6888645	CIXROOKPBYKNOP-DHZHZOJOSA-N	351.620	5.192	50	40	FKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3ccccc3F)c3ccccc32)c1	6256574	FJEDPNYJRPUTHM-ZHZULCJRSA-N	366.439	6.201	50	40	FKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	107993925	PDXXRFOPNHRYOP-SILNSSARSA-N	362.473	5.500	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccc(C#N)c1	408567020	KDHXNMITOGDSNC-SXGWCWSVSA-N	374.783	5.234	50	40	FKGB	
Cc1cccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1	408970842	LDJVTUSWPMMXPU-UKWGHVSLSA-N	363.269	5.280	50	40	FKGB	
CCN(CC)CCC[C@@H](CCl)Nc1ccnc2cc(Cl)ccc12	2026270	SGNCRBDRAPGGCK-HNNXBMFYSA-N	354.325	5.030	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(-c2cccs2)cs1	4154889	GWMFKNFHWXZYIZ-RVDMUPIBSA-N	360.463	6.196	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	6935768	QDLSDHRKEOZMIE-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)cc1	408542579	MILMGLVITQDYLT-HMAPJEAMSA-N	370.452	5.419	50	40	FKGB	
CC[C@@H](C)n1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21	408567449	DZGRFVAJVPUVDC-MKRLJBPISA-N	358.420	5.692	50	40	FKGB	
N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc2ccccc2c1	408761503	FHLLQQXVEJHIBC-HYARGMPZSA-N	374.443	5.637	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(OCCC)c1	5827408	OEINMDBFQPLBAV-GHRIWEEISA-N	361.445	5.205	50	40	FKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc(C2CC2)cs1	13027833	UWZWJCDQDXEDPO-XDHOZWIPSA-N	358.466	5.664	50	40	FKGB	
CC1(C)[C@]2(C(=O)Nc3cccc4ccccc34)CC[C@@]1(C)[C@H]2Br	2666645	HSIUCQNHPABEPI-LSTHTHJFSA-N	372.306	5.368	50	40	FKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1F	4135169	JUDCHNDOWXZNGU-UVTDQMKNSA-N	369.852	5.888	50	40	FKGB	
COc1cccc(-c2csc(/C(C#N)=C\c3ccc(C(C)C)cc3)n2)c1	4175074	KWVODILSWJDBSC-ODLFYWEKSA-N	360.482	6.006	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1	36174660	SGPBSVJHRWZFIA-SRZZPIQSSA-N	359.212	5.017	50	40	FKGB	
CC[C@H](C)n1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc21	408567451	DZGRFVAJVPUVDC-QTNMRXCUSA-N	358.420	5.692	50	40	FKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1O	408581507	XLKMHKCIFWZGCU-VZUCSPMQSA-N	368.647	5.815	50	40	FKGB	
O=C1c2ccccc2C(=O)c2c(Cl)c(C(Cl)Cl)cc(Cl)c21	4266086	YGVAHDRUXIVRHP-UHFFFAOYSA-N	360.023	5.245	50	40	FKGB	biogenic
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	4544443	CJRGIIWBXSTQDW-ZSWAGCMBSA-N	368.480	5.595	50	40	FKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(Cl)s1	4610348	OITRFEZCTQFLGP-QGMBQPNBSA-N	369.298	5.424	50	40	FKGB	
Fc1cc(F)c(F)c(SSc2c(F)c(F)cc(F)c2F)c1F	103623620	UCZOSDKPFMOYES-UHFFFAOYSA-N	362.266	5.599	50	40	FKGB	
Cc1c(F)cccc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	1565504732	SXBDBXSAESKING-UHFFFAOYSA-N	364.536	5.073	50	40	FKGB	
Cc1[nH]c2c(ccc3ccccc32)c1[C@H]1[C@H](CCNC(=O)CCl)C1(C)C	5478378	CDPLABCXMPPASM-FXAWDEMLSA-N	368.908	5.114	50	40	FKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(OC)c1	17474238	QGUUDVPXWBEECD-OQLLNIDSSA-N	366.417	5.031	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc([N+](=O)[O-])c1	108925157	ZNPNJVOKTIYXRS-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	408812877	NODDVENSNKZLNC-GZTJUZNOSA-N	368.864	5.291	50	40	FKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cccc2ccccc12	408817816	WJESKTTYIOQJIV-LFIBNONCSA-N	362.816	5.047	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccccc1	59474272	ITUHLIWMMZXFOJ-HAVVHWLPSA-N	360.482	5.133	50	40	FKGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408579969	MBXHTGLGORHNPR-XNTDXEJSSA-N	372.251	5.468	50	40	FKGB	
O=C(c1cc(C(F)(F)F)ccc1C(F)(F)F)[C@@H](Cl)c1ccccc1	575361165	SCPFQCTYPPCAIE-ZDUSSCGKSA-N	366.688	5.887	50	40	FKGB	
COc1ccc(C=C(C#N)C#N)cc1COc1cc(C)ccc1C(C)(C)C	2766666	RKIXNXOLGTVMEJ-UHFFFAOYSA-N	360.457	5.311	50	40	FKGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)c3ccc4ccccc4c3)c2c1	408551949	PMIDGNDURFIVMD-STZFKDTASA-N	365.432	6.074	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	408580213	NBMZIXVBONHFGN-FYJGNVAPSA-N	359.856	6.292	50	40	FKGB	
C/C(=N\NC(=O)CCSc1ccc(C)cc1)c1ccc(C(C)(C)C)cc1	409133727	RBFKAJARKQENON-HAVVHWLPSA-N	368.546	5.315	50	40	FKGB	
O=C(CCc1ccccc1)N/N=C/c1c2ccccc2cc2ccccc12	3168201	BFVZCPBLSJLJML-KOEQRZSOSA-N	352.437	5.076	50	40	FKGB	
O=C(NCCCCCCCl)Nc1ccc(/C=C/c2ccccc2)cc1	3466274	AJGSWVNIZUFPGO-ZHACJKMWSA-N	356.897	5.778	50	40	FKGB	
CC(C)(C)c1ccc(C(=O)NN=C2CCCCCCCCCCC2)cc1	5284307	WLEYTKGNDUCYOI-UHFFFAOYSA-N	356.554	6.375	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1Cc1ccccc1	6418863	NTIPXWSNFPBVHF-QQXSKIMKSA-N	362.476	6.371	50	40	FKGB	
Fc1ccc(-c2cc3nc(C(Cl)Cl)nc(-c4ccccc4)n3n2)cc1	1775977511	VECLCXVPHFYRGP-UHFFFAOYSA-N	373.218	5.074	50	40	FKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)cc1	4175122	ATZIBPUFCDLCJN-KGENOOAVSA-N	366.489	6.590	50	40	FKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1	408767815	OZGNYZRDZHCTEF-ITYLOYPMSA-N	370.496	5.266	50	40	FKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	2282679	ORCRMSOSFNBOTN-UYRXBGFRSA-N	359.498	5.966	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)c3ccccc23)c(C)c1	5484562	QMEJOGOLQDAJML-LDADJPATSA-N	357.457	5.385	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(OCCC)c1	13984496	ZYXOPBCWVLKONC-QGOAFFKASA-N	366.417	5.237	50	40	FKGB	
N#C/C(=C/c1ccc(N2CCCCC2)c(F)c1)c1ccc2ccccc2c1	33374362	HZHHSHCCECGNGC-HMAPJEAMSA-N	356.444	6.033	50	40	FKGB	
CCOC(=O)[C@H](Cl)c1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-]	108618896	QRMMCYFBZIKSSL-SECBINFHSA-N	369.695	5.095	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	209491178	LHVLGYXUZRFCOC-KGENOOAVSA-N	370.408	5.546	50	40	FKGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccccc1Cl	217709234	PIBSFDXVUFRWNY-UHFFFAOYSA-N	359.636	5.350	50	40	FKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)cc1	20243940	MNAZSUABUMADAW-WSDLNYQXSA-N	374.937	5.021	50	40	FKGB	
N#C/C(=C\c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccccc1	408541490	GMCLQOPDZILEJP-SFQUDFHCSA-N	368.392	5.045	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)[C@@H](C)Sc1ccccc1	408871168	WHTJBVSUJCGOFS-FIOICXDGSA-N	354.519	5.027	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3Cl)n2)cc1C	2279966	JCQGAZATDPJQQG-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
C/C(=N/NC(=O)c1cccs1)c1ccc2c(c1)Nc1ccccc1S2	6562174	DBNRMKIMMWDBRD-MTJSOVHGSA-N	365.483	5.110	50	40	FKGB	
COc1ccc(C=C(C#N)C#N)cc1OCc1ccc(Cl)cc1Cl	8493951	QANWQQZKRRSTLT-UHFFFAOYSA-N	359.212	5.012	50	40	FKGB	
N#C/C(=C/c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1	33651928	YQXXELCQAWUVDT-GDNBJRDFSA-N	356.372	5.893	50	40	FKGB	
CCCCCCCCCCCCCCCCCC(=O)OC(=O)[C@@H](C)O	113226027	CODAYFPFZXWNLD-LJQANCHMSA-N	356.547	5.699	50	40	FKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccccc1	408809588	IGPRGOFDUJENNS-HYARGMPZSA-N	359.432	5.625	50	40	FKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	2684002	HTAIVSXCSAPDOZ-KOEQRZSOSA-N	372.468	5.540	50	40	FKGB	
Cc1ccc(C)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	4063765	WFWVMYHVDKTQTR-LFIBNONCSA-N	365.889	6.057	50	40	FKGB	
O=C(N/N=C1\CCCC[C@@H]1C1CCCCC1)c1cc2ccccc2cc1O	5788826	UAHHGJUIUYPJOS-HRMOWSKASA-N	364.489	5.402	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Cl)cc1	408743712	XPLUUSHVGGVYNE-BKUYFWCQSA-N	370.839	5.855	50	40	FKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)C(C)(C)C	408785349	YTJLBNNXFQTSNV-CJLVFECKSA-N	354.519	5.272	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c2ccccc12	408790693	XSCZXJILQOSDQW-QGOAFFKASA-N	356.425	5.011	50	40	FKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1ccccc1Oc1ccccc1F	3192922	FXJFIUWTSJGZOT-VKAVYKQESA-N	358.372	5.164	50	40	FKGB	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	4887451	IUWVCFYKOLSVKV-JPZMSJPLSA-N	361.228	5.255	50	40	FKGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NN=C1CCCCCCCCCCC1	5975867	FWPOKORBIIHXGR-UHFFFAOYSA-N	372.597	6.370	50	40	FKGB	
CCOc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Cl	408549614	VRZNEDWSSQTGSN-NVMNQCDNSA-N	368.263	6.609	50	40	FKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\c3ccc(F)cc3)n2)cc1	6355327	ZKFJXFGALXJYOU-WJDWOHSUSA-N	350.418	5.412	50	40	FKGB	
O=C(N/N=C\c1cccs1)c1sc2cc(Cl)ccc2c1Cl	33323527	YDXSEHYWJIEYFQ-IDUWFGFVSA-N	355.271	5.034	50	40	FKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)c1cc2ccccc2o1	83328041	COFQYFWEEDGTBW-MYYYXRDXSA-N	364.404	5.503	50	40	FKGB	
C[C@@]12CC[C@H](c3nc4cc5ccccc5cc4nc31)[C@@]2(C)CBr	103674166	PUTRYMYPKQATCU-JSNMRZPZSA-N	367.290	5.333	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2ccccc2c1	408549285	RXZLBHOQHVCVEY-ZHZULCJRSA-N	355.824	6.817	50	40	FKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1	408813306	MWTASMRRMLDSDY-SFQUDFHCSA-N	366.848	5.013	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	1514406	APWJLDFGYSWVDQ-FOWTUZBSSA-N	362.816	5.454	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/[C@H](C)CCCC(C)C	1621643	GNFCDZFGKCYLRP-MMTNMYCKSA-N	371.396	5.913	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)c1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C	208215580	JCIDFIRTQNBYST-WSLMLHKMSA-N	364.920	6.435	50	40	FKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cccc(F)c1	408570525	WJDCLJKHYBYDRC-SXGWCWSVSA-N	374.394	5.313	50	40	FKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc(F)c1	409392730	NHCPMDYKMSMDSX-KAMYIIQDSA-N	371.889	6.756	50	40	FKGB	
C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)o1	4887465	IUWVCFYKOLSVKV-AMUUTIQOSA-N	361.228	5.255	50	40	FKGB	
O=C(NNc1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1	7737502	QCXACVWDFBBSMY-UHFFFAOYSA-N	357.240	5.417	50	40	FKGB	
CCCCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	13739501	LRWSCNZNBBASBY-STZFKDTASA-N	358.510	6.525	50	40	FKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C	138304574	WYGIYWVMNCRBLK-XKZIYDEJSA-N	374.915	6.683	50	40	FKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccccc1	6381088	FEIYCTDHOGUVIL-UUYOSTAYSA-N	366.420	5.210	50	40	FKGB	
N#C/C(=C/c1ccc(-n2ccnc2)cc1)c1nc(-c2ccccc2)cs1	96843675	RRISLJDOEBLCFV-PDGQHHTCSA-N	354.438	5.060	50	40	FKGB	
COc1ccc2ccc(OC)c(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)c2c1	107919811	UJKJUYDCHZKXCI-WJDWOHSUSA-N	369.424	5.106	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Cl	408890941	IRIMKBIJMYLQNV-LFIBNONCSA-N	362.816	5.047	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)c1cccc(C(F)(F)F)c1	409021931	GCCWPBBQOHAPLR-BOPFTXTBSA-N	364.326	5.901	50	40	FKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1)c1ccccc1	409230692	FNUAQDXUZFWPRX-IYWFSZBXSA-N	374.465	5.215	50	40	FKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)cc1	409391178	HUHVUEBHDYNWFZ-MOSHPQCFSA-N	360.432	5.696	50	40	FKGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)Sc2nc3ccccc3s2)cc1	1038985	OLTJFLPYMRERFI-WQRHYEAKSA-N	359.479	5.711	50	40	FKGB	
Br[C@@H]1Cc2ccccc2[C@H](Br)Cc2ccccc21	1580924	JFWMKAUXLFFZTQ-HZPDHXFCSA-N	366.096	5.357	50	40	FKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2ccccc2c1	408723623	YGAMDYLVXIJCCY-PCLIKHOPSA-N	368.436	5.156	50	40	FKGB	
O=C(N/N=C\c1ccc(F)cc1)c1sc2cc(Cl)ccc2c1Cl	408972263	OMZMTQXBTUFYRP-ZBKNUEDVSA-N	367.232	5.111	50	40	FKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1ccccc1Cl	409016848	AHHFUBAJMKBTQK-WJDWOHSUSA-N	373.799	5.017	50	40	FKGB	
Cn1c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1-c1ccccc1	67299971	PMCDKKKOSSNPRA-XMHGGMMESA-N	367.477	5.880	50	40	FKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)cc1	408566410	GFJUJXSJSUREKD-MOSHPQCFSA-N	368.392	5.059	50	40	FKGB	
CCCCCCSCCOCCO[C@@H](C)[C@H](Cl)CCCCC	5418283	DZLFLEUUQTVQSN-ZWKOTPCHSA-N	353.012	5.909	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1	33580577	RKPSGLYNIDUDMI-UNOMPAQXSA-N	374.371	5.377	50	40	FKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)F	103528225	ZPRNSAPAXDXUKH-LLVKDONJSA-N	350.206	5.883	50	40	FKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccccc1	6473655	QOHHPCFHCJCPHS-HYARGMPZSA-N	355.437	5.647	50	40	FKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)cc1	39884449	RMHGJHGGKOPGAN-GHRIWEEISA-N	360.388	5.194	50	40	FKGB	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2csc(-c3ccccn3)n2)cc1	40139772	AAEJEBKVDJFQCH-VBKFSLOCSA-N	373.481	5.292	50	40	FKGB	
CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc(C#N)cc3)o2)c1	409372779	QOIHIZUPETWDCW-MOSHPQCFSA-N	368.392	5.059	50	40	FKGB	
CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](C)Cl)n2)cc1	3252690	XNOXIEGYDMAVKS-CYBMUJFWSA-N	350.915	5.499	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2	15013789	CLNURFMDUJZCBN-VCHYOVAHSA-N	360.388	5.026	50	40	FKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccc(Br)cc1	33403952	RWWJQPBYPWAAPY-GHXNOFRVSA-N	353.046	5.820	50	40	FKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)cc21	208444224	FMOADXLDUUMWDP-BOPFTXTBSA-N	354.457	5.259	50	40	FKGB	
C/C(=N\NC(=O)c1ccccc1)[C@]1(C)CC2=C(CCCC2(C)C)C[C@@H]1C	4689734	LJFIFYWCVHSVRF-ABHQKMDVSA-N	352.522	5.735	50	40	FKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4)o3)[nH]c2c1	32099676	LAUPYWGLMUUCOM-PTNGSMBKSA-N	359.816	5.849	50	40	FKGB	
Fc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	33355043	NPZPIZGAYHXOGP-UHFFFAOYSA-N	371.395	5.635	50	40	FKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccc(C)cc2[nH]1	5385705	RSELNBWSHRPDAY-XNTDXEJSSA-N	351.837	5.378	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	6564762	ASKATSXYZZXTRX-QJISPJEISA-N	361.445	5.121	50	40	FKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)cc1	59427418	DEJZCPCGWRVOAA-PXLXIMEGSA-N	370.452	5.335	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(F)ccc3C)n2)cc1	100601019	IGTAJACTHGSTME-RVDMUPIBSA-N	365.433	5.243	50	40	FKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)[C@@H]3[C@@H]4CCCC[C@@]43C)o2)cc1Cl	408955259	OLAYJJRZAGZHAM-DHTPTNDJSA-N	370.880	5.185	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Cl	409020496	PVRXGCUWUAAMDL-ZCQLHAAUSA-N	368.864	5.371	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1OCC	6324553	YBGJRRTYDVFUPD-HMMYKYKNSA-N	357.453	6.091	50	40	FKGB	
O=C(N[C@H](c1ccc(Cl)cc1)C(Cl)Cl)c1ccccc1Cl	3218909	HRDAWQISCPKXEC-CYBMUJFWSA-N	363.071	5.268	50	40	FKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(C(C)C)c3ccccc23)c1	5490268	KEDGPJRUSDZRHH-LDADJPATSA-N	357.457	5.385	50	40	FKGB	
C=CCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccccc2[nH]1	5585334	NKOLEACZKCIAFI-JXAWBTAJSA-N	372.472	5.038	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	6229831	NVTDUQXTKKBPRZ-JAIQZWGSSA-N	373.839	5.578	50	40	FKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1	6963430	UITKSYRZTBZZKJ-BKUYFWCQSA-N	371.440	5.683	50	40	FKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)c1nc2ccccc2[nH]1	113830940	DCTGAEXDWWHYPO-QGOAFFKASA-N	369.399	5.345	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Cl	408566762	BCPNVDWKYBZLHQ-QENILXLESA-N	369.827	5.597	50	40	FKGB	
O=P1(C(c2ccccc2)c2ccccc2)O[C@@H]2CC(Cl)C[C@@H](C2)O1	17886852	FDFMNOCBHFDPCN-LMGPSDODSA-N	362.793	5.544	50	40	FKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4ccccc4C#N)o3)nc2c1	107925855	LHJHXZSOHNDBGM-WJDWOHSUSA-N	350.381	5.067	50	40	FKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	409048653	UCVHSQMBGBWTBI-NTUHNPAUSA-N	363.200	5.364	50	40	FKGB	
N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2ccc(F)cc2)cs1	1241056	BAZZTRHXIZIIBB-FOWTUZBSSA-N	372.428	5.474	50	40	FKGB	
O=C(Nc1ccc(OC(F)(F)F)cc1)[C@@H](Cl)c1ccccc1Cl	2153734	XMCNHLTYSRTTKO-ZDUSSCGKSA-N	364.150	5.157	50	40	FKGB	
O=C(CCl)Nc1ccc(Oc2cc(Cl)c(Cl)cc2Cl)cc1	4015665	ZZIALZGPICIYGO-UHFFFAOYSA-N	365.043	5.616	50	40	FKGB	
CCOc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	4794796	HOQMINKEZCSZQZ-NTCAYCPXSA-N	365.433	5.324	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1	4864242	JZJJXUCZMYNYOA-SFQUDFHCSA-N	372.859	5.688	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)Sc1nc2ccccc2s1	6345357	OPLDKQKFXUNJAF-KPKJPENVSA-N	363.294	6.260	50	40	FKGB	
N#C/C(=C/n1c(=S)sc2ccccc21)c1nc2ccccc2s1	17223461	DPOZXGWQIRZHRP-KHPPLWFESA-N	351.481	5.564	50	40	FKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cl)c(Cl)c1	59133417	UJQTUSRBOPYUTC-WUXMJOGZSA-N	365.647	5.501	50	40	FKGB	
CCc1ccc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	83317257	CRGKEYGLARLNMC-GHRIWEEISA-N	361.470	5.358	50	40	FKGB	
C[C@@H]1CC[PH](c2ccccc2)(c2ccccc2)c2c1ccc1ccccc21	103844081	GBTGPHCPRJGSSI-HXUWFJFHSA-N	368.460	5.373	50	40	FKGB	
N#CC(C#N)=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	5741251	WSHZAUNGCMVIEW-UHFFFAOYSA-N	352.224	5.427	50	40	FKGB	
Cc1ccnc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)c1	408551171	LWHMSBVCCITPNH-IWIPYMOSSA-N	363.464	6.015	50	40	FKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)cc2)c1C	408844752	ILEZWBGNFIPMGI-HMAPJEAMSA-N	374.915	6.683	50	40	FKGB	
CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc21	408981444	BJKZIGJLOXSNFL-PTNGSMBKSA-N	363.848	5.169	50	40	FKGB	
CCCc1ccc(-c2ccc(C(=O)CCCCCBr)cc2)cc1	575359071	QRBBTDBBTBFOER-UHFFFAOYSA-N	373.334	6.444	50	40	FKGB	
O=C(N/N=C/c1cccc2ccccc12)C(c1ccccc1)c1ccccc1	3470853	RSFXXEYLQICPRJ-NLRVBDNBSA-N	364.448	5.122	50	40	FKGB	
Cc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	100108573	KJWQVYKIPKFATF-RVDMUPIBSA-N	351.862	5.749	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)c3cccc(C#N)c3)c2)cc1	408568002	RIYKVRJDYDNTGC-FMCGGJTJSA-N	350.421	5.510	50	40	FKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)c1ccc(Br)cc1	408579976	MEQCXNFOYBEUQZ-DHZHZOJOSA-N	353.046	5.820	50	40	FKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409392450	MQXKCRXVTQAOPH-WPBJZHHJSA-N	374.253	5.830	50	40	FKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1	2161542	HGJSTHZOHUZDNN-ZVHZXABRSA-N	372.424	5.137	50	40	FKGB	
Cc1cc(C)c([C@@H](O)[C@H](Br)c2c(C)cc(C)cc2C)c(C)c1	5538586	YAIQODWEFBYQDY-WOJBJXKFSA-N	361.323	5.707	50	40	FKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)cc3)n2)cc1	6306923	SZGHEEDSEHZDRW-UNOMPAQXSA-N	360.482	5.778	50	40	FKGB	
CC(C)(Cl)[C@H](Cl)CC/C(CBr)=C(\Cl)CCl	73258818	UIGXZKYHJGKJFU-FCZSHJHJSA-N	356.946	5.518	50	40	FKGB	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)c1ccc2c(c1)OCO2	96401772	LQFDEXHWUFNSLQ-XYOKQWHBSA-N	367.813	5.073	50	40	FKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1cccc(C#N)c1	107923774	ZQJGOAJKKWAZIC-BKUYFWCQSA-N	370.839	5.855	50	40	FKGB	
N#C/C(=C\c1cccc(OC2CCCC2)c1)c1ccc(C(F)(F)F)cn1	84374534	CEODAGAXKDTMDS-XNTDXEJSSA-N	358.363	5.486	50	40	FKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(O)cc1	107713331	JNDCCTXDEWCSIU-JXAWBTAJSA-N	364.404	5.244	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(F)cc3)c2)cc1	408584096	ZYYWVJQDGIZUCK-DEDYPNTBSA-N	359.400	5.477	50	40	FKGB	
CCCCCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	4773812	BAQLWKOZSXGANT-UHFFFAOYSA-N	374.352	5.027	50	40	FKGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	6938601	XMCBQFRPRJRZBW-LVCXCXRVSA-N	353.853	5.030	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@@H](Cl)[C@H](Cl)c1ccc(Cl)s1	1685386	SUEQMBIHNLAWET-ZJUUUORDSA-N	360.114	5.887	50	40	FKGB	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1ccc(C(C)(C)C)cc1	20072158	LUBXIYVPVLPODK-KOEQRZSOSA-N	358.485	5.220	50	40	FKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)OC(C)(C)C)c2)cc1C	23424327	PBFXXKAUHWIWAY-MZEAWQTDSA-N	368.437	5.283	50	40	FKGB	
Cc1cc(C)c(OCC(=O)NN=C2CCCCCCCCCCC2)c(C)c1	32101709	ADUZFIBSCTVVTC-UHFFFAOYSA-N	372.553	5.768	50	40	FKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1nc2ccccc2s1	7156618	DUZPHPVWCMKOHP-SDNWHVSQSA-N	373.393	5.529	50	40	FKGB	
C[C@@H]1CCc2nc(/C(C#N)=C\c3ccc(Br)cc3)sc2C1	33679281	HBBQAOPJMCSUJY-NASPGAHYSA-N	359.292	5.095	50	40	FKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)c1	59117707	SWKQYWUAHHRZDF-VBKFSLOCSA-N	362.816	5.454	50	40	FKGB	
Cc1ccccc1[C@@H](Br)C1=CC(C)(C)c2ccccc2C1=O	1754586	RKZOEFRPIITFLS-GOSISDBHSA-N	355.275	5.532	50	40	FKGB	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1ccc(C(C)(C)C)cc1	6497046	XIJKAMSKPHDUPB-HKWRFOASSA-N	360.501	5.655	50	40	FKGB	
CN(CCO[Si](C)(C)C(C)(C)C)c1ccc(OCc2ccccc2)cn1	199845328	OUIKDKSONMPOEJ-UHFFFAOYSA-N	372.585	5.119	50	40	FKGB	in-vitro
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCC	107863668	OTRNEILYOKNNAY-AQTBWJFISA-N	351.421	5.416	50	40	FKGB	
O=C(CCCCCBr)c1cccc(OC(F)(F)C(F)F)c1	575360857	NRLFBXNOOBUUSN-UHFFFAOYSA-N	371.168	5.061	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1O[C@H](C)CC	6355882	IFYJQGMVRYFUEN-AFDUHFSSSA-N	371.480	6.480	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	33783000	HCIVSFOOXWEXLF-MOSHPQCFSA-N	356.381	5.238	50	40	FKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	3169019	GJHAWJHMFKMIQJ-MFKUBSTISA-N	372.855	5.339	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1	6966488	CMFCSXDOEDAJES-DEDYPNTBSA-N	357.413	5.375	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1F	8380270	BERCQCIWTHMJMA-AQTBWJFISA-N	363.819	6.122	50	40	FKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c2ccccc12	59335152	VEMBHSGVVSECIC-JXAWBTAJSA-N	356.425	5.093	50	40	FKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473631	GMIYILPUXJFZGH-BUVRLJJBSA-N	374.509	5.192	50	40	FKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c2ccccc12	254956589	YANHFUFLVMKUTQ-AQTBWJFISA-N	356.425	5.011	50	40	FKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408806381	MVOWCWLZVZQBBU-KAQJVSAMSA-N	363.244	5.075	50	40	FKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(C(C)C)c4ccccc34)[nH]c2c1	409393474	XPVKGBSLQUWDCU-GDNBJRDFSA-N	356.429	5.171	50	40	FKGB	
N#CC1=C(N)OC2=C(CCC/C2=C/c2cccs2)[C@@H]1c1cccs1	1032140	BCDUJGCUCBHRLL-LUJNMSEFSA-N	352.484	5.139	50	40	FKGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2730265	FKLBHVJAIALNDT-UXBLZVDNSA-N	370.783	5.274	50	40	FKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	102967036	BXGSGCFCGRBKFQ-LVZFUZTISA-N	373.500	6.366	50	40	FKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409392449	MQXKCRXVTQAOPH-LWLPBDFMSA-N	374.253	5.830	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1Cl	5214368	RGJFHLMNOUNHRS-SDNWHVSQSA-N	366.779	5.285	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(C)C)n2)cc1C	6755330	JOQLMMNORJBVPP-CPNJWEJPSA-N	373.525	6.527	50	40	FKGB	
CCCCCCCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1	2795757	JUAPUPGQHHBWDR-HAVVHWLPSA-N	352.478	5.076	50	40	FKGB	
Cc1ccc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(C)c1	20194670	PYZOYXCTMGQGKA-WGOQTCKBSA-N	366.464	5.303	50	40	FKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	212117546	URUQDGIQMWGXRY-RGEXLXHISA-N	354.409	5.333	50	40	FKGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	252489723	JYNVQRJUXODVJG-UITAMQMPSA-N	370.619	5.377	50	40	FKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)cc1	408764130	RVTKIONIDZSUKW-ZHZULCJRSA-N	366.468	5.597	50	40	FKGB	
C/C(C[C@H]1CC2=C(CC1(C)C)C(C)(C)CCC2)=N/NC(=O)c1ccccc1	1259950	CEEKIVXITQUMRQ-JTOYMXJDSA-N	366.549	6.125	50	40	FKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	33751316	BLJIQFABZSDRCA-STZFKDTASA-N	370.408	5.546	50	40	FKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3F)o2)cc1	39884467	UDSAYQIHBUSORV-GHRIWEEISA-N	374.415	5.755	50	40	FKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(C)n1-c1ccccc1	4032216	VZLSBGBZYRJUJB-XMHGGMMESA-N	352.441	5.045	50	40	FKGB	
CC(C)=CCCC1=C[C@@H](C)[C@H](/C=N/NC(=O)COc2ccccc2C)CC1	5344029	ZQXZJTWRVAKOBD-TVFNEEMWSA-N	368.521	5.195	50	40	FKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(F)(F)F)o2)cc1	8372073	ZQOFPCUHZSBUEG-WYMPLXKRSA-N	372.346	5.038	50	40	FKGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1ccccc1	58822830	WJURSQLMKVALDX-GXDHUFHOSA-N	366.779	5.285	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1cccc(C#N)c1	408566436	GLEYSPFVXHCEGQ-FMCGGJTJSA-N	361.404	5.073	50	40	FKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCC	409359232	AMJJYWQGGJBFER-YBEGLDIGSA-N	372.262	5.311	50	40	FKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3F)n2)cc1	2201749	MCRDNSDZANEQNP-RAXLEYEMSA-N	369.396	5.073	50	40	FKGB	
CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1	6713812	GPSALKKHTQPHAH-CPNJWEJPSA-N	359.498	5.966	50	40	FKGB	
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1cc(Cl)ccc1Cl	205640073	LRVDQJBXNVWEAR-WDZFZDKYSA-N	351.620	5.192	50	40	FKGB	
O=C(CCCCCBr)c1ccc(SC(F)(F)F)cc1	575361254	VTVGJGJDZIZUSM-UHFFFAOYSA-N	355.219	5.437	50	40	FKGB	
O=C(Cl)c1ccc(-c2ccc(Br)c(C(F)(F)F)c2)o1	57327496	KOHLTFBALHCOHK-UHFFFAOYSA-N	353.521	5.107	50	40	FKGB	
Clc1ccc(-c2nc3ccc(CBr)cc3s2)cc1Cl	73635367	GDCHCJVZOVGSFD-UHFFFAOYSA-N	373.102	6.165	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4808866	ULSVQSDHUJLLCH-NVMNQCDNSA-N	374.465	5.726	50	40	FKGB	
Cc1c(C(=O)NN(Cc2ccccc2)Cc2ccccc2)oc2ccccc12	12761965	BDLZFHSDVOLCJU-UHFFFAOYSA-N	370.452	5.088	50	40	FKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1Cl	408581136	GLTXYJOGGCLBDI-OQLLNIDSSA-N	358.224	5.078	50	40	FKGB	
N#C/C(=C\C1CCCCC1)c1nc(-c2ccc(Br)cc2)cs1	4194818	TWQBFPDQEAEKON-XNTDXEJSSA-N	373.319	6.060	50	40	FKGB	
COc1ccc(-n2cccc2/C=C(/C#N)c2ccc3ccccc3c2)cc1	106369183	PHFIGMSGTYVESB-PGMHBOJBSA-N	350.421	5.703	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1)[C@@H](C)CC(C)(C)N2C	208217501	OHNUZGUMZHTZAP-LSPINASFSA-N	373.500	5.263	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1	408733874	BSFLIUVLHXOLJU-IZZDOVSWSA-N	351.620	5.192	50	40	FKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OCc2c(F)cccc2Cl)cc1	4681074	NTSWPDIBHFGEJW-RVDMUPIBSA-N	371.839	5.580	50	40	FKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1	408580625	QBYGVAIRQSOHJX-CIAFOILYSA-N	359.856	6.292	50	40	FKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(OC)cc2)cc1Br	408583976	ZBLNQQRRBIVCJF-LFIBNONCSA-N	370.246	5.087	50	40	FKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)C1CC1	6215831	WKIGAWNKIDNTLD-PCLIKHOPSA-N	357.457	5.034	50	40	FKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccccc1F	34855912	JNBPLBJOKWBJMO-LCYFTJDESA-N	367.763	5.501	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3cccc(Cl)c3)n2)cc1C	6478074	NACDXYIGDLNUNA-MFOYZWKCSA-N	350.874	6.145	50	40	FKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\CC1CCCCC1	104070648	IKPVMGHIPHAAAU-JCMHNJIXSA-N	355.353	5.278	50	40	FKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)c2nc3ccccc3o2)cc1OC	409072010	AFFAWVRAKVMBRT-QGOAFFKASA-N	372.424	5.194	50	40	FKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccccc1F	107709742	ZDUXIEZMINNYCP-YVMONPNESA-N	371.003	5.008	50	40	FKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)NCc1ccccc1	2295285	HABRJZKDWRJZKQ-RCCKNPSSSA-N	362.432	5.216	50	40	FKGB	
CC1=CC(C)(C)N(C(=O)[C@H](Cl)c2ccccc2)c2cc(C)c(C)cc21	4544158	WSGFZTOADNZPFT-HXUWFJFHSA-N	353.893	5.812	50	40	FKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cc2)c1	33347196	SWRJQHMNBSFRFE-STZFKDTASA-N	370.408	5.546	50	40	FKGB	
O=C(Nc1ccc(S(F)(F)(F)(F)F)cc1)N[C@@H]1CCCC[C@H]1CO	102152796	DYEKOCOQMUNRSV-GXFFZTMASA-N	374.375	5.017	50	40	FKGB	
C(=C\[PH](c1ccccc1)(c1ccccc1)c1ccccc1)\c1ccccc1	104133449	JGUNCOCENASSJK-DQRAZIAOSA-N	366.444	5.384	50	40	FKGB	
Cc1cc2c(cc1/C=C(/C#N)c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C	208234491	MGRAJWHGUODESY-YLRSXTQRSA-N	364.920	6.435	50	40	FKGB	
CCN1c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)cc2C(C)=CC1(C)C	208505599	CNTIKQBOIUDDBN-UNOMPAQXSA-N	362.904	6.426	50	40	FKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Cl)cc1	408766925	WZSRWMBOKLBDCE-SRZZPIQSSA-N	359.212	5.017	50	40	FKGB	
O=C(c1ccc(Cl)s1)[C@H](Cl)[C@H](Cl)c1ccc(Cl)cc1	1685394	WLCPJJHSEPUWAK-VXGBXAGGSA-N	354.085	5.825	50	40	FKGB	
O=C(N/N=C/[C@H]1C[C@@H]2CC[C@@H]1C2)c1sc2cc(Cl)ccc2c1Cl	100531308	UMJXUHFQIOWMBT-XJGCQPJMSA-N	367.301	5.360	50	40	FKGB	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC(C(C)(C)C)CC2)cc1	4866927	BZAUIPAZSQLDQV-UHFFFAOYSA-N	365.521	5.416	50	40	FKGB	
COc1ccc(/C=C(/C#N)c2nc3ccccc3s2)cc1Br	4980240	JCULUKOLJXSNEL-WQLSENKSSA-N	371.259	5.132	50	40	FKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C	6968540	LCNUPUZDJFBQBK-BKUYFWCQSA-N	371.440	5.683	50	40	FKGB	
Clc1ccc([C@H](Cl)c2nc3ccccc3nc2Cl)c(Cl)c1	3154955	KTNGWYUGYQGQLA-ZDUSSCGKSA-N	358.055	5.918	50	40	FKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c2ccccc12	59198897	JAAXNRBKFQEUNA-XMHGGMMESA-N	370.452	5.401	50	40	FKGB	
N#C/C(=C/c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408756435	VCWAGNRGFZUWDU-WDZFZDKYSA-N	351.620	5.192	50	40	FKGB	
CCCCCCCCCCCC(=O)N/N=C(\C)c1cccc2ccccc12	104164047	USRJHASCIQJQAP-LKUDQCMESA-N	366.549	6.601	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(C)cc2)cc1Br	408578710	AKQTWZQQJCOGLY-GZTJUZNOSA-N	356.263	5.611	50	40	FKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)cc2)cc1Cl	408734397	GCUXFHDSRYNSLK-LICLKQGHSA-N	368.864	5.229	50	40	FKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	409049529	XKSSIZZPUJPLSF-MDWZMJQESA-N	372.255	5.723	50	40	FKGB	
CC/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Cl)c(Cl)c1	20195550	WDUSPYJWQISRET-RELWKKBWSA-N	363.288	5.083	50	40	FKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)nc1	35351907	KIDHKZTUVKYGJN-ODLFYWEKSA-N	367.456	5.046	50	40	FKGB	
BrC(Br)c1ccc(-c2nc3ccccc3o2)cc1	196150035	DSYAHLSQINZTGS-UHFFFAOYSA-N	367.040	5.283	50	40	FKGB	
CCn1c(C)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21	408599923	OSOTUYMNPGRUAO-BUVRLJJBSA-N	361.489	5.031	50	40	FKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1	409360334	DVQYIRSPEQQOGX-WGOQTCKBSA-N	366.464	5.303	50	40	FKGB	
O=C(N/N=C\c1cccc2ccccc12)c1cc2c(ccc3ccccc32)o1	659711	URODVWJXFDZUGB-MYYYXRDXSA-N	364.404	5.503	50	40	FKGB	
Cc1c(NC(=O)CSC#N)cccc1-c1nc2cc(C(C)C)ccc2o1	226328521	YCLZNRNIMPGKLH-UHFFFAOYSA-N	365.458	5.079	50	40	FKGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(Cl)c(Cl)c1	408761278	DQBSVMMCURTEFK-FOKLQQMPSA-N	369.251	5.009	50	40	FKGB	
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)[C@@H](Cl)c1ccccc1	5874434	CJISTPNYFLHQER-FQEVSTJZSA-N	369.892	5.594	50	40	FKGB	
CC(=O)Nc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	8237503	NMNBPUPTXDULHY-WOJGMQOQSA-N	359.454	5.141	50	40	FKGB	
O=C(Cl)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Cl)nc2c1	45919913	IGIFDWDSVVKOFS-UHFFFAOYSA-N	361.011	5.834	50	40	FKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc21	208436707	MWMOWGZCOYJDHR-UNOMPAQXSA-N	371.484	5.172	50	40	FKGB	
Cc1cc(NC(=O)CCl)cc2nc(-c3ccc(Cl)cc3Cl)oc12	226327900	DPUMAYFPKTTYBL-UHFFFAOYSA-N	369.635	5.287	50	40	FKGB	
CC(C)c1cc(/C=N/NC(=O)Nc2ccc(Cl)cc2)cc(C(C)C)c1O	408847719	OIOMIENEGGRVAM-SSDVNMTOSA-N	373.884	5.448	50	40	FKGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1Cl	35254778	LLRNZDUSLWWIMP-GXHLCREISA-N	362.043	5.064	50	40	FKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	103283832	SDORAIGYQQPJAH-RVDMUPIBSA-N	374.362	5.040	50	40	FKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(F)c1	409389561	BZXDILKNOFIJMC-UNOMPAQXSA-N	363.819	6.122	50	40	FKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	3320678	PNHPCHJJYBNKBI-FOWTUZBSSA-N	352.400	5.089	50	40	FKGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(Oc2ccccc2)cc1	20195482	NJMMGULNDHYEJC-NCELDCMTSA-N	372.468	5.179	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccccc3Cl)n2)c(C)c1	4576254	QXBIEPRCKNQCHR-YBEGLDIGSA-N	350.874	6.145	50	40	FKGB	
CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(OC)cc2)cs1	25608014	ILEDFRVFGHZZOQ-ATVHPVEESA-N	362.454	5.282	50	40	FKGB	
COc1ccc(CCCC(=O)NN(c2ccccc2)c2ccccc2)cc1C	408998208	KSZSSHGHEGMNBT-UHFFFAOYSA-N	374.484	5.196	50	40	FKGB	
COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	4063637	XZUBIVWDPLTCCL-SDNWHVSQSA-N	367.861	5.449	50	40	FKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C)c(F)c3)n2)cc1C	4135172	ZDUGRMLCUCAOKJ-BOPFTXTBSA-N	363.461	5.851	50	40	FKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1Cl	7159130	MACOSOAQVKSVSL-YRNVUSSQSA-N	351.620	5.192	50	40	FKGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1C(C)C	408745694	OHJJOUSNHGMLPP-YBEGLDIGSA-N	368.864	5.326	50	40	FKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CCSc1ccc(C)cc1	409136060	WKGXXHCKULBZHE-PTGBLXJZSA-N	368.546	5.337	50	40	FKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1	4863257	KPMAIRHNDOHOML-XNTDXEJSSA-N	367.271	5.637	50	40	FKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(Cl)c1	5777168	VEHCURSNRVQRJD-ZVHZXABRSA-N	358.828	5.410	50	40	FKGB	
O=C(CCCCCBr)c1ccccc1OC(F)(F)C(F)F	575361391	ZZUIQPSUDFHPFN-UHFFFAOYSA-N	371.168	5.061	50	40	FKGB	
CC[C@@H](C)c1ccc(OC[C@@H](C)N(CCCl)Cc2ccccc2)cc1	4792479	SMNXUXPCNDJJAJ-RTBURBONSA-N	359.941	5.708	50	40	FKGB	
CCc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C)cc3)n2)cc1	5933339	TZQCGOMYUQLGBS-XDHOZWIPSA-N	373.481	5.227	50	40	FKGB	
CC(/C=N\NC(=O)[C@H](C)Nc1ccc(C)cc1)=C/c1ccc(C(C)C)cc1	28632518	MCAISERHHGOOTF-QAACWQIWSA-N	363.505	5.124	50	40	FKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	215987065	AJDLAPJKBBVKLN-GHXNOFRVSA-N	365.647	5.501	50	40	FKGB	
COc1c(Cl)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Cl	408549467	UAYFPIVWQHALIL-IUXPMGMMSA-N	354.236	6.219	50	40	FKGB	
CCCC[C@@H](Cl)CP(=O)(N1CCCCCC1)N1CCCCCC1	5447226	KXQOXRXKADZNIS-GOSISDBHSA-N	362.926	5.729	50	40	FKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	2258935	FVUHNZYUGIYMRM-OBGWFSINSA-N	370.408	5.033	50	40	FKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1	4511051	JBJDHTNXCQUVKL-CIAFOILYSA-N	370.861	5.157	50	40	FKGB	
CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1	44827364	AJJGJLRJGBKFLY-XDHOZWIPSA-N	360.482	5.890	50	40	FKGB	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCc1ccc(Cl)cc1	13002296	USRSJRBLLASIBE-UHFFFAOYSA-N	372.921	5.609	50	40	FKGB	
N#C/C(=C/c1cccc(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	4155057	BXXDRTHAMWUQCI-NSIKDUERSA-N	366.829	5.256	50	40	FKGB	
N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccccc2)cs1	4859709	JSFAVSOJEIOBCD-RAXLEYEMSA-N	372.280	6.093	50	40	FKGB	
C[C@H]1CC2=C(OC(N)=C(C#N)[C@@H]2c2cccs2)/C(=C/c2cccs2)C1	8783218	RWXBYBCQZYYKLX-ZXIKNJPCSA-N	366.511	5.385	50	40	FKGB	
Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1cccc2ccccc12	408588806	JTBLQBFRBZXIHL-OEAKJJBVSA-N	373.481	5.073	50	40	FKGB	
C=CCn1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21	408598504	BRMJYPIYGJIXQC-FOWTUZBSSA-N	356.454	5.360	50	40	FKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)c3ccc(C#N)cc3)c2)cc1	409374272	ZXDXJMWWCOFLBU-QRVIBDJDSA-N	350.421	5.510	50	40	FKGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	33283757	OMNAZQNGKXTTOH-DHDCSXOGSA-N	359.256	5.662	50	40	FKGB	
CCCCC[C@H](O[Si](C)(C)C(C)(C)C)c1ccc(Br)cc1	196030394	STBAOIZEBPGWRS-KRWDZBQOSA-N	371.435	7.092	50	40	FKGB	
Cc1cc2nc(/C(C#N)=C\c3cccn3-c3ccc(Cl)cc3)[nH]c2cc1C	408860187	YQDHSTTXFQNFLZ-VBKFSLOCSA-N	372.859	5.688	50	40	FKGB	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cccc3ccccc23)cc1	3286252	OCXORYQNRBLIJK-LTGZKZEYSA-N	354.453	5.728	50	40	FKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1	408583209	SKEZHQYTNSRCQG-XSFVSMFZSA-N	359.400	5.477	50	40	FKGB