smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCOc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cn1	131827690	YIMVEZCWRCVUFA-UHFFFAOYSA-N	325.290	3.256	50	50	EGGA	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)O	3902154	XZMKDUUGQLLDMY-MDWZMJQESA-N	349.346	3.099	50	50	EGGA	
CCOc1cc(/C=N/NC(=O)c2csc(C)c2)ccc1OC(C)=O	6656552	OPEHYNKKRMDEBW-GIJQJNRQSA-N	346.408	3.144	50	50	EGGA	
Nc1nc(CCl)[nH]/c(=N\c2ccc(Oc3ccccc3)cc2)n1	18128857	YOCTXPPPWGWGJI-UHFFFAOYSA-N	327.775	3.150	50	50	EGGA	
Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(F)cc2)cc1	374501	PAJGZHLUKNFMGE-HOTGVXAUSA-N	343.427	3.255	50	50	EGGA	
CCc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=O)cc1	446096	JLARFDGQEHCHEZ-ATVHPVEESA-N	342.402	3.494	50	50	EGGA	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccncc1	249793	QVLZZOSLQSNVAU-HYARGMPZSA-N	331.375	3.425	50	50	EGGA	
N#Cc1ccccc1OCC(=O)N/N=C/c1c(Cl)cccc1Cl	274266	CSELQVQNDORWKS-AWQFTUOYSA-N	348.189	3.394	50	50	EGGA	
O=C(CCl)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCCC1	1875367685	DOUHWRLDXFQULN-ZDUSSCGKSA-N	334.769	3.197	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	48879	WXINMNJLPQYEEO-CYBMUJFWSA-N	348.280	3.185	50	50	EGGA	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(Br)cc1	442114	HVMLIUCIUPKWRG-MDWZMJQESA-N	344.212	3.249	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc2ccccc2c1	242200	XOIQGMFZECGGIQ-SFHVURJKSA-N	334.375	3.485	50	50	EGGA	
O=C(Nc1ccc(NC(=O)C(Cl)Cl)cc1)C(Cl)Cl	369821	GVRRHSXRCYJNRH-UHFFFAOYSA-N	329.998	3.171	50	50	EGGA	
O=C(NNC(=O)c1ccc2ccccc2c1O)c1ccccc1Cl	436002	JUTCXQKPZCUMHM-UHFFFAOYSA-N	340.766	3.274	50	50	EGGA	
CCCCCC(=O)NNC(=O)COc1ccc(Cl)cc1Cl	2779327	FWMVDKUBFLLMJH-UHFFFAOYSA-N	333.215	3.100	50	50	EGGA	
CSc1nc(NNC=O)cc(Oc2cc(C)cc(C(C)C)c2)n1	2029033	SVJDBVMMMQEKPD-UHFFFAOYSA-N	332.429	3.496	50	50	EGGA	
O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Cl)s2)n[nH]1	54022	KXTIKWSWVFZRKF-CAOOACKPSA-N	346.799	3.261	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@H](C)[C@@H](c1ccccc1Cl)n1cccn1	1875376214	PBRYLHUWYHMXGM-WDMOLILDSA-N	326.227	3.258	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1	76451	LUYUTFJVRYGXHU-CQSZACIVSA-N	345.196	3.264	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccccc2C)cc1	437153	YZJWOOBQEHIFJG-HYARGMPZSA-N	338.455	3.403	50	50	EGGA	
CN(CC(Cl)Cl)C(=O)Cc1csc(-c2ccccn2)n1	408516679	NZRLVUVGPZZOCU-UHFFFAOYSA-N	330.240	3.010	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	240643	KOUNGCBAKCRLFS-AWEZNQCLSA-N	332.787	3.375	50	50	EGGA	
O=C(CCc1cccc(O)c1)N1CCC2(CC1)C[C@H]2Br	1775998759	IGORWRDKWJXQDG-CQSZACIVSA-N	338.245	3.101	50	50	EGGA	
O[C@]1(c2ccc(Cl)cc2)[C@H](CCCl)SC2=NCCCN21	4759835	LJULRUGRUGMKCP-GXTWGEPZSA-N	331.268	3.291	50	50	EGGA	
CCCCCCn1c(=O)c(C(=O)NN=C(C)C)c(O)c2ccccc21	100658390	BMPNYQDAAOQWCF-UHFFFAOYSA-N	343.427	3.413	50	50	EGGA	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccccc1O	5684520	JXXNZUATXLLPNB-RGVLZGJSSA-N	326.396	3.353	50	50	EGGA	
N#CCc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1	799753866	VYTZVWHOQOIIRF-UHFFFAOYSA-N	344.296	3.400	50	50	EGGA	
O=[N+]([O-])c1c(-n2cccn2)nn(-c2ccccc2)c1C(Cl)Cl	617877	PUHDHGKNQQAKKZ-UHFFFAOYSA-N	338.154	3.442	50	50	EGGA	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccncc3)n[nH]2)cc1	9329667	VGJHMKKPIIMCMA-FYJGNVAPSA-N	349.394	3.024	50	50	EGGA	
Nc1ccc(C(=O)O)cc1SSc1cc(C(=O)O)ccc1N	34887162	JDRRJHFHSIBHDM-UHFFFAOYSA-N	336.394	3.047	50	50	EGGA	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc2[nH]cnc2c1	546936	SPRHSYINNXTBMX-GZIVZEMBSA-N	332.285	3.346	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1c(Cl)cccc1Cl	55858	PNLLISUSZWNWFQ-QGMBQPNBSA-N	339.226	3.416	50	50	EGGA	
CC(C)(C)c1[nH]nc2c1[C@H](c1ccnc3ccccc13)C(C#N)=C(N)O2	499888	MRNMYKKAXHMJHX-OAHLLOKOSA-N	345.406	3.474	50	50	EGGA	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccco1)C(C#N)=C(N)O2	377438	AMVUBJGOJIQFDS-QGZVFWFLSA-N	332.363	3.051	50	50	EGGA	
C[C@]12C[C@@H](Br)[C@@H](Br)C[C@@]1(C)CN(N=O)C2	101138377	FNLMPIAUBAXGBY-YNFQOJQRSA-N	340.059	3.317	50	50	EGGA	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1ccc(O)cc1	362196	UXZGZAUUCDARLK-QGMBQPNBSA-N	339.178	3.472	50	50	EGGA	
COc1ccccc1/C=C/C=N/NC(=O)c1cc(C(C)(C)C)n[nH]1	4981573	GWKWYKBPWZNGQH-IACHMEEVSA-N	326.400	3.145	50	50	EGGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccnc2)cc1	48791	KZHIAADQROQTOJ-GOSISDBHSA-N	343.390	3.102	50	50	EGGA	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccoc1C	381463	RWUCDMXFYOLUDF-LZYBPNLTSA-N	337.173	3.123	50	50	EGGA	
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1ccc2ccccc2c1	5620938	DFQCPJGYXMTPJT-KGENOOAVSA-N	343.390	3.125	50	50	EGGA	
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCCc1ccccc1	2557954	GWCNJMUSWLTSCW-SFQUDFHCSA-N	336.391	3.144	50	50	EGGA	in-vitro
COc1ccc(Cl)cc1C(=O)NNC(=S)Nc1ccc(C)cc1	1062950	MYGQWFHFXOUPSW-UHFFFAOYSA-N	349.843	3.288	50	50	EGGA	
C[C@@H](Cl)C(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1	1875364934	YIMRBLXFXABSFP-DGCLKSJQSA-N	334.769	3.062	50	50	EGGA	
O=C(COc1cccc2ccccc12)N/N=C/c1cccc([N+](=O)[O-])c1	261346	DSPXWTZAFPGYPW-UDWIEESQSA-N	349.346	3.277	50	50	EGGA	
CCOC(=O)OC(=O)C[C@@H](CC(=O)OC)O[Si](C)(C)C(C)(C)C	169748373	BEVABXNTHJECLR-LLVKDONJSA-N	348.468	3.030	50	50	EGGA	
Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	1427041	KFKOGOIUJQBASX-KRWDZBQOSA-N	343.386	3.065	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	240646	KOUNGCBAKCRLFS-CQSZACIVSA-N	332.787	3.375	50	50	EGGA	
CCOc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)cc1	267262	HZPXHWLYGVPGKK-KRWDZBQOSA-N	342.395	3.119	50	50	EGGA	
CCn1cc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)n1	2747809	BSVAKJBICCSHTO-VXLYETTFSA-N	348.834	3.173	50	50	EGGA	
CC1=C(C(=O)NNc2ccc(Br)c(C)c2)CCCO1	161130395	VVWPKMSGEPMXQJ-UHFFFAOYSA-N	325.206	3.285	50	50	EGGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1	61319	NKZZPWSVRAPEDL-YBFXNURJSA-N	335.319	3.218	50	50	EGGA	
Cc1cc(C)c2c3c(sc2n1)[C@]1(CCO[C@H]1C)C(C#N)=C(N)O3	4037346	OWJBQTLNNORECZ-BTDLBPIBSA-N	327.409	3.046	50	50	EGGA	
Cn1cccc1/C=N/NC(=O)c1cccc(OC(F)(F)C(F)F)c1	370848	CLXAWVRIGWFTGS-AWQFTUOYSA-N	343.280	3.026	50	50	EGGA	
Cc1ccc(C)c(NC(=S)NNC(=O)CCc2ccccc2)c1	6400499	SCIWEMCDDFKVNX-UHFFFAOYSA-N	327.453	3.254	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1	228841	YKKQBMMABCAXMB-LPYMAVHISA-N	349.438	3.033	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)cc2)c(O)c1	2820927	CDNOLRMOJVAHOQ-DEDYPNTBSA-N	341.411	3.011	50	50	EGGA	
O=C(O)CCSSCCNC(=O)c1c(F)cccc1C1CC1	1875388573	HDPWZIIULCDYQG-UHFFFAOYSA-N	343.445	3.289	50	50	EGGA	
COc1ccc(Br)cc1/C=N/NC(=O)c1cccs1	228040	CBRQVBIOFUDBRQ-OVCLIPMQSA-N	339.214	3.283	50	50	EGGA	
O=C(N/N=C(\c1ccccc1)c1cccnc1)c1ccccc1[N+](=O)[O-]	5020757	BTUUWBBVYBHVBM-DYTRJAOYSA-N	346.346	3.172	50	50	EGGA	
Cc1nc2sccn2c1C(=O)c1ccc(NC(=O)CCl)cc1	1875364958	ZJTZUDNGDQDEJV-UHFFFAOYSA-N	333.800	3.113	50	50	EGGA	
O=C(COc1ccccc1)N/N=C/c1cc2ccccc2nc1Cl	4209335	KJHVIGHPZOBVQY-RGVLZGJSSA-N	339.782	3.417	50	50	EGGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1	32649979	IWZQYXRHIISGSK-IPHDDYSGSA-N	347.758	3.166	50	50	EGGA	
CSc1ccc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)cc1	6189352	UEBVTWVLXLMVDO-RQZCQDPDSA-N	346.481	3.058	50	50	EGGA	
O=C(CNc1cccc2ccccc12)N/N=C/c1cccc([N+](=O)[O-])c1	60523	UQQIZNQZLYEZMB-CIAFOILYSA-N	348.362	3.310	50	50	EGGA	
CCc1sc(C(=O)NCCSSCCC(=O)O)cc1C	1875388861	SUEONTMPWFPBRG-UHFFFAOYSA-N	333.500	3.205	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(Br)cc1	285926	FOKMIYSSDYKHIM-HNNXBMFYSA-N	343.180	3.373	50	50	EGGA	
C[C@]12C[C@H](Br)[C@@H](Br)C[C@@]1(C)CN(N=O)C2	101138374	FNLMPIAUBAXGBY-AATLWQCWSA-N	340.059	3.317	50	50	EGGA	
CCc1nnc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1C	408523492	KMCAXVSLSAULQF-CQSZACIVSA-N	338.572	3.364	50	50	EGGA	
NC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1	478790	JRVJVZAFRSNHSQ-CIAFOILYSA-N	333.347	3.061	50	50	EGGA	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1Cl)OCO2	252445472	MXYMIHPOASHEIG-SGUXVUQKSA-N	334.803	3.345	50	50	EGGA	
COc1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)cc1Cl	16133998	BPBNRBGDWLINNE-KEBDBYFISA-N	346.814	3.495	50	50	EGGA	
CC(C)(C)OC(=O)N1CCC[C@H](CI)C1	19046081	GWYLEGFCHNTQTF-SECBINFHSA-N	325.190	3.069	50	50	EGGA	
O=C(N/N=C/[C@H]1CC=CCC1)C(O)(c1ccccc1)c1ccccc1	4989752	HLAAUUBZBPYYEZ-JMMZKRSASA-N	334.419	3.381	50	50	EGGA	
COc1ccc(C)cc1NC(=S)NNC(=O)c1ccccc1Cl	8680974	NHOMQKHBWQCVLD-UHFFFAOYSA-N	349.843	3.288	50	50	EGGA	
Cc1ccccc1CCC(=O)NNc1cncc(Br)c1	239667598	BQOHTUPSHFYNEJ-UHFFFAOYSA-N	334.217	3.228	50	50	EGGA	
CC(C)(C)OC(=O)N(CCBr)CCBr	100008446	CIKNCWSDHQVBKL-UHFFFAOYSA-N	331.048	3.013	50	50	EGGA	in-vitro
COc1ccc(S(=O)(=O)C[C@@H](SC#N)c2ccccc2)cc1	81561	LCQDEWAQDZFVMJ-MRXNPFEDSA-N	333.434	3.424	50	50	EGGA	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c1	8996154	IMALHBXQPRAPBB-MRXNPFEDSA-N	344.374	3.303	50	50	EGGA	
CC(C)(C)OC(=O)N1CCC(CCI)CC1	91302836	IONMNRHLZXJDJX-UHFFFAOYSA-N	339.217	3.459	50	50	EGGA	
O=C(O)CCSSCCNC(=O)C1CCC2(CCC2)CC1	1875388826	RRXZEKRVLRZJJN-UHFFFAOYSA-N	331.503	3.319	50	50	EGGA	
Cc1nc2ccccc2n1CCC(=O)NNc1ccc2ccccc2n1	118980215	VQQGFLYWBIZQBU-UHFFFAOYSA-N	345.406	3.426	50	50	EGGA	
CCc1c(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)csc1C	2765132	HYUCTFGOEAYCKZ-NSHDSACASA-N	347.509	3.489	50	50	EGGA	
COc1cc(Cl)c(/C=N/NC(=O)c2ccc(O)cc2)cc1Cl	1775996558	WNNWBHHPORIKOE-QGMBQPNBSA-N	339.178	3.472	50	50	EGGA	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)c1	4723677	LMCZWVUSOYPMJA-ZROIWOOFSA-N	338.363	3.345	50	50	EGGA	
COc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	368029	ZKPZYPCAGPWOND-UHFFFAOYSA-N	346.386	3.437	50	50	EGGA	
O=C(Nc1cccc(NC(=O)C(Cl)Cl)c1)C(Cl)Cl	370123	BVPVLZIQAGQGFP-UHFFFAOYSA-N	329.998	3.171	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)[nH]n1	18240604	FPYMBGVGOHUINP-GIJQJNRQSA-N	328.759	3.395	50	50	EGGA	
O=C(N/N=C/c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	2565211	SVHQTAMNZICABQ-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1	2490480	UDYBGWRNCGLYJW-HNNXBMFYSA-N	330.771	3.151	50	50	EGGA	
CCc1ccccc1[C@H](CNC(=O)CCl)NC(=O)OC(C)(C)C	1875377793	NRZFGOSOROJYAH-AWEZNQCLSA-N	340.851	3.170	50	50	EGGA	
COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	42491	MBAIXQQWHWHLIA-SJLPKXTDSA-N	330.391	3.289	50	50	EGGA	
O=C(CCl)Nc1cc(Cl)c(Cl)cc1NC(=O)CCl	3080941	RSLOKDHQANWCTC-UHFFFAOYSA-N	329.998	3.348	50	50	EGGA	
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O	196835319	IIGKEAAYYNIBEN-MNOVXSKESA-N	333.501	3.375	50	50	EGGA	
CCCOP(=O)(C/C=N/NC(=O)c1ccccc1O)OCCC	4964484	SVEFTNGEHUWDOZ-CXUHLZMHSA-N	342.332	3.154	50	50	EGGA	
CC1(C)CC(=O)C/C(=N/NC(=O)c2ccc(Br)cc2)C1	100315862	UXFWMBIGOVSULO-ATVHPVEESA-N	337.217	3.314	50	50	EGGA	
CCc1c(C(=O)NNC(=S)N[C@H](C)c2ccccc2)csc1C	2765133	HYUCTFGOEAYCKZ-LLVKDONJSA-N	347.509	3.489	50	50	EGGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)c(Cl)c1	59412	NAMILNMMKLSOPD-ZDUSSCGKSA-N	339.178	3.248	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc([N+](=O)[O-])cs1	120736	CMUTTYSKFGUINF-CYBMUJFWSA-N	345.380	3.107	50	50	EGGA	
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccnc3ccccc13)C(C#N)=C(N)O2	499889	MRNMYKKAXHMJHX-HNNXBMFYSA-N	345.406	3.474	50	50	EGGA	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1cccnc1)Sc1ccccc12	501300	XQWADNGUCJNYGR-INIZCTEOSA-N	329.388	3.220	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccncc1	616336	KOHCOOGDNSAVKA-KXBFYZLASA-N	343.386	3.290	50	50	EGGA	
O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O	3885241	ZBBVALVBAUOYBG-UHFFFAOYSA-N	334.158	3.293	50	50	EGGA	
Cc1cc(C)cc(NC(=S)NNC(=O)CCc2ccccc2)c1	6399866	CJMSVIBGOZMXHB-UHFFFAOYSA-N	327.453	3.254	50	50	EGGA	
O=C(Cc1cccc2c1CCCC2)N/N=C\c1ccc([N+](=O)[O-])cc1	43761204	KKMHYMVAJDZPRG-MOSHPQCFSA-N	337.379	3.166	50	50	EGGA	
CN1CCC(=NNC(=O)CCSc2ccc(Cl)cc2)CC1	55069792	ZFHVGCHUCYOJAZ-UHFFFAOYSA-N	325.865	3.020	50	50	EGGA	
Cc1ccccc1C(=O)N/N=C/c1ccc(O)c(Br)c1	282910	DBLVAZPCULZIFF-RQZCQDPDSA-N	333.185	3.227	50	50	EGGA	
Nc1c(Br)cc(Br)cc1[C@@H](O)CCl	4054534	DKJZMOOSJIUROZ-ZETCQYMHSA-N	329.419	3.066	50	50	EGGA	
O=C(OCc1ccccc1)N1CCC(I)CC1	2527233	MSRXUEGQXJQJJX-UHFFFAOYSA-N	345.180	3.223	50	50	EGGA	in-vitro
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1	289179	IJSFBCSUMGOJKQ-LDADJPATSA-N	334.423	3.151	50	50	EGGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccsc2C(=O)OC)o1	3028866	QHISWGCVIQCFQD-CSKARUKUSA-N	331.349	3.265	50	50	EGGA	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc([N+](=O)[O-])cc1	261371	DKWQCJMXJDWKFT-UDWIEESQSA-N	349.346	3.277	50	50	EGGA	
CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)Cl	1875380144	GKVKZQRWEGWIOM-JLJPHGGASA-N	337.895	3.076	50	50	EGGA	
O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@](F)(Cl)[C@]2(F)Cl)c1ccncc1	230135448	GCUBGKBZRMEWRJ-RAUAXSICSA-N	348.180	3.262	50	50	EGGA	
C=CCOc1ccccc1/C=N/NC(=O)c1ccc(OC)c(OC)c1	4355016	DJJIQCKPRIARKG-DEDYPNTBSA-N	340.379	3.033	50	50	EGGA	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1	63297	BUVUSHDAEPRTRI-LJQANCHMSA-N	342.402	3.386	50	50	EGGA	
COC(=O)N[C@@H]1CC2=C(CCCC2)C[C@H]1I	4146886	BOHVNHJVNTVKPU-GHMZBOCLSA-N	335.185	3.179	50	50	EGGA	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(-n2cccc2)cc1	17068758	KTQMORHUBOGHAK-UHFFFAOYSA-N	334.379	3.252	50	50	EGGA	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(Cl)cc1	4366598	ZSZLCTQHJANTSI-VDCVXVNISA-N	347.758	3.166	50	50	EGGA	
O=P(CBr)(CBr)CBr	3164599	BSGZXKYGLBFWCZ-UHFFFAOYSA-N	328.766	3.407	50	50	EGGA	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1	63293	BUVUSHDAEPRTRI-IBGZPJMESA-N	342.402	3.386	50	50	EGGA	
O=C(/C=C/NNC(=O)c1ccc(Br)cc1)c1ccccc1	2893256	OSBVZBWFSHTBLY-ZHACJKMWSA-N	345.196	3.080	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(C)oc1SCC	2751968	NNWCRQLJRBBTNN-AWEZNQCLSA-N	348.424	3.345	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2n1	262889	RJPFFSPMWKRWNB-YBFXNURJSA-N	334.335	3.215	50	50	EGGA	
COC(=O)c1ccccc1P(=O)(c1ccccc1)c1ccccc1	100291076	SBCJIWSFRMMEOY-UHFFFAOYSA-N	336.327	3.113	50	50	EGGA	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1n[nH]c2c1CCCC2	73039	VLKIRLBQGIBESJ-AWQFTUOYSA-N	336.317	3.071	50	50	EGGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1C	2913826	RJMIZZHPYMJNHZ-VXLYETTFSA-N	329.787	3.046	50	50	EGGA	
Cc1noc2c1[C@@H](c1cc(Br)ccc1F)C(C#N)=C(N)N2	204881	FKMWDDIPRLTRKD-LBPRGKRZSA-N	349.163	3.136	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO	197069465	IIITUHPEBILIQR-CHWSQXEVSA-N	331.529	3.379	50	50	EGGA	in-vitro
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccsc1	4014754	YUSAHUJDFOGOSC-NSHDSACASA-N	326.406	3.418	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc([N+](=O)[O-])cs1	120739	CMUTTYSKFGUINF-ZDUSSCGKSA-N	345.380	3.107	50	50	EGGA	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1ccncc1	1458004	XESXXGNCJARCOG-HYARGMPZSA-N	345.358	3.065	50	50	EGGA	
Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	241286	WIAYNDUGPFRODI-MRXNPFEDSA-N	330.343	3.320	50	50	EGGA	
Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@H]3c1ccccc1	291520	JHVWUPVTEKYMHJ-QGZVFWFLSA-N	346.342	3.025	50	50	EGGA	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccccc1Cl	5318812	YGXNBDDUBGLQNP-VXLYETTFSA-N	326.787	3.148	50	50	EGGA	
CCOc1ccccc1/C=N/NC(=O)COc1cc(C)ccc1C	566515	YJMKOQZRNGUZAE-UDWIEESQSA-N	326.396	3.231	50	50	EGGA	
CN(C)c1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	203893	MLLUSIIFNJZKHG-KRWDZBQOSA-N	337.423	3.203	50	50	EGGA	
Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1	1426899	LORDXCANOOYCIF-KRWDZBQOSA-N	343.386	3.065	50	50	EGGA	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	298888	MGJPAVNFMNRTJI-UHFFFAOYSA-N	340.423	3.133	50	50	EGGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(O)cc1	102294550	RDAPGOGFGAVBTA-KGENOOAVSA-N	347.459	3.099	50	50	EGGA	
COC(=O)[C@@H]1C[C@@H](Cl)CN1c1ncc(C(F)(F)F)cc1Cl	20218534	PPEKBMWOZHUDPV-APPZFPTMSA-N	343.132	3.113	50	50	EGGA	
C[C@H](Cl)C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1	1875380336	MAMPDQGRALLLEI-YOEHRIQHSA-N	345.826	3.257	50	50	EGGA	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(O)cc1O	4372694	BJXNMXKLOHLPGT-KEBDBYFISA-N	342.395	3.059	50	50	EGGA	
N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@H]1c1ccccc1Cl	76436	JNVXEGYKHDTOKM-VIFPVBQESA-N	340.692	3.300	50	50	EGGA	
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1	4136031	JWVIOWKACFTTKC-FYJGNVAPSA-N	349.394	3.024	50	50	EGGA	
CCOc1ccccc1/C=N/NC(=O)c1cc(-c2cccs2)n[nH]1	2453785	YAHDLEUGVUMNKX-WOJGMQOQSA-N	340.408	3.301	50	50	EGGA	
C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/C=C/c1ccccc1	5570373	QWKLAMKTYTUZLW-UKDJSLRFSA-N	332.407	3.488	50	50	EGGA	
CC/C(C)=N/NC(=O)CNc1ccc(Cl)cc1Br	4948377	GEZHMDNISYRLFM-LZYBPNLTSA-N	332.629	3.417	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1OC	12343101	IKOWJIZDGHJFFE-QDAPYELHSA-N	338.407	3.348	50	50	EGGA	
COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(OC)c1OC	256898	DYWNZKGJTGXSFO-VXLYETTFSA-N	348.786	3.130	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)[nH]n1	18241814	OGEFGZVUNNDSHL-GIJQJNRQSA-N	328.759	3.395	50	50	EGGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	2383754	QVGGXUPTWQOEBV-UFFVCSGVSA-N	349.312	3.103	50	50	EGGA	
Cc1cc(Cl)ccc1OCC(=O)NNC(=S)Nc1ccccc1	492107	IDFOSQATNQQRNE-UHFFFAOYSA-N	349.843	3.045	50	50	EGGA	
Cc1ccc(NC(=S)NNC(=O)COc2ccccc2Cl)cc1	2582290	YWOAGJBIRHUVMO-UHFFFAOYSA-N	349.843	3.045	50	50	EGGA	
O=C(CCl)N[C@@H]1CCc2cc(OCc3ccccc3)ccc2C1	1875383608	APIYAIHVUHBMEC-QGZVFWFLSA-N	329.827	3.478	50	50	EGGA	
Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@@H]2Br)cc1	1591979	BFTYQNCPCZHZSQ-QWHCGFSZSA-N	333.247	3.406	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)C2[C@H]3CCCC[C@H]23)c(O)c1	100311236	LQMJJUCIEXYESZ-BXRKRMDBSA-N	329.444	3.125	50	50	EGGA	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)COc1ccccc1[N+](=O)[O-]	229683280	IAKKJQXRULSFJK-XMCIWJFMSA-N	343.383	3.068	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1	286281	DMLUOMHGSVHBLJ-MKFNJMOCSA-N	332.787	3.266	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccccc1OCC	293477	AAGXFUQKPFMBCC-INIZCTEOSA-N	342.395	3.120	50	50	EGGA	
CCOC(=O)C(=O)[C@@H](Br)c1ccc(C(F)(F)F)cc1	261509028	ZDRZVQGBZCJVOI-VIFPVBQESA-N	339.107	3.274	50	50	EGGA	
C[C@H](NC(=O)c1ccccc1NC(=O)CCl)c1ccc(F)cc1	5671870	XEIDSHYFDWHDLP-NSHDSACASA-N	334.778	3.494	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(Br)s1	293184	ILVIMEUBNIVPDS-CYBMUJFWSA-N	349.209	3.434	50	50	EGGA	
CCn1ncc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1C	371393	ZYLVJGSOSMFZQP-RGVLZGJSSA-N	342.443	3.038	50	50	EGGA	
CCOC(=O)[C@H](/C(C)=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)C(C)C	252394250	CHCWYMNYPFSZEB-AMNKSYIFSA-N	330.428	3.118	50	50	EGGA	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1n[nH]c2c1CCC2	186632	XCVPDISBWIFUBZ-FYJGNVAPSA-N	346.390	3.455	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccccc1OCC	293478	AAGXFUQKPFMBCC-MRXNPFEDSA-N	342.395	3.120	50	50	EGGA	
O=C(NNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1F	2143210	BQHQPGIMJZZEFE-UHFFFAOYSA-N	325.702	3.085	50	50	EGGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1	32649983	IWZQYXRHIISGSK-TZQXVGBESA-N	347.758	3.166	50	50	EGGA	
O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2Cl)n[nH]1	8817955	XRMRKERUXCUOTL-VXLYETTFSA-N	340.770	3.200	50	50	EGGA	
O=C(N/N=C(\c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccncc1	5733022	GTXZTSLMOPGDEY-DYTRJAOYSA-N	346.346	3.172	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1	58882	HQVZGOIYKVRAED-HYARGMPZSA-N	338.455	3.403	50	50	EGGA	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc([N+](=O)[O-])c1O	35337433	YFQCTRKNWZKBMH-WUXMJOGZSA-N	341.279	3.281	50	50	EGGA	
O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(Cl)cc2)n[nH]1	229602	VNIDLFAFTQAPHQ-VXLYETTFSA-N	340.770	3.200	50	50	EGGA	
Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	2495944	TUTNOWFTJDHWGA-CYBMUJFWSA-N	336.372	3.381	50	50	EGGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC=C12	47854	QVBWMJUFKQWFSF-DOTOQJQBSA-N	345.362	3.188	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	292796	GCXGGLUGRDBVNO-CQSZACIVSA-N	332.787	3.375	50	50	EGGA	
O=C(N/N=C/c1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2	4975565	OCWCALYMRNKFGI-KEBDBYFISA-N	326.396	3.082	50	50	EGGA	
Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	9007818	LTWCYGLURJMHGZ-YBFXNURJSA-N	349.350	3.057	50	50	EGGA	
COc1ccc(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	32565806	ICPYYKQZBTZIRX-MFOYZWKCSA-N	333.731	3.021	50	50	EGGA	
O=[N+]([O-])c1ccc(N/N=C2\CO[C@H](CCCCl)C2)c([N+](=O)[O-])c1	43761498	LOELLUOHZXQTRE-PDICVPPASA-N	342.739	3.079	50	50	EGGA	
Fc1c(F)c(F)c(OCCI)c(F)c1F	196228816	SRJUCBDOIQNBLB-UHFFFAOYSA-N	338.013	3.196	50	50	EGGA	
CSc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1	241988	SWDVWDHKAKGAFQ-QFYYESIMSA-N	326.421	3.469	50	50	EGGA	
Cc1cc(=O)oc2cc(O)c3c(c12)OC(N)=C(C#N)[C@@H]3c1ccccc1	3001641	JHVWUPVTEKYMHJ-KRWDZBQOSA-N	346.342	3.025	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2n1	253958	QOKLTGHAMYYFTH-YBFXNURJSA-N	334.335	3.215	50	50	EGGA	
O=C(N/N=C/c1cccc2ccccc12)C(=O)Nc1ccc(F)cc1	4209615	QUGOUVLZCXTENA-CIAFOILYSA-N	335.338	3.068	50	50	EGGA	
Cc1cc(OCC(=O)NNC(=O)Nc2ccccc2)cc(C)c1Cl	146588	YQONIYREOHSBNH-UHFFFAOYSA-N	347.802	3.189	50	50	EGGA	
CCc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)s1	6489968	DBGLRIACVAQDFX-MDWZMJQESA-N	340.404	3.263	50	50	EGGA	
COc1ccc(C(=O)C(Br)Br)c(F)c1	1857533541	KFDCXPGYWAZKNP-UHFFFAOYSA-N	325.959	3.133	50	50	EGGA	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(N(C)C)ccc21	182761	KJDUDNAIMFWPEI-LJQANCHMSA-N	335.407	3.369	50	50	EGGA	
O=C(NNC(=O)c1sccc1-n1cccc1)Nc1ccccc1	5947377	JISDYWGAPJETSY-UHFFFAOYSA-N	326.381	3.005	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Cl)C[C@H]1[C@H]2Br	245255644	JSDWVKURFFDIKI-KLVWXMOXSA-N	346.496	3.212	50	50	EGGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	3162120	IWDOHCSUINTPIR-XDHOZWIPSA-N	341.367	3.076	50	50	EGGA	
O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	2571792	LCLOSBNQPAMFFG-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1ccc(Cl)cc1)OCO3	203549	WZAKWURQSDFUQS-MRXNPFEDSA-N	326.739	3.287	50	50	EGGA	
COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	6825567	UVLMJUKCPDOUNW-XYOKQWHBSA-N	342.376	3.094	50	50	EGGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1Cl	6634379	YQFYSJTZHZAMCM-GFCCVEGCSA-N	339.178	3.248	50	50	EGGA	
COc1cccc(/C=N/NC(=O)COc2ccc3ccccc3c2)c1	286400	YLDAXOKSAJTEGE-FYJGNVAPSA-N	334.375	3.378	50	50	EGGA	
O=C(O)CCSSCCNC(=O)[C@H](CC(F)F)C1CCC1	1875388870	SZTRVDHTRISQKQ-SNVBAGLBSA-N	341.445	3.030	50	50	EGGA	
Cc1cc2cc(C(=O)NNc3nc4ccccc4c(=O)[nH]3)oc2cc1C	137137990	RRGTZONOKLQXCH-UHFFFAOYSA-N	348.362	3.043	50	50	EGGA	
Cc1nn(Cc2ccccc2)c2ncc(NC(=O)[C@@H](C)Cl)cc12	1875363720	UYNNCJHGOPMTGC-LLVKDONJSA-N	328.803	3.354	50	50	EGGA	
O=C(N/N=C/c1ccc2ccccc2c1)[C@@H]1COc2ccccc2O1	291145	DUVVKWCJAUDIFV-CIPMJJFUSA-N	332.359	3.130	50	50	EGGA	
[C-]#[N+][C@H](c1cccc(OC)c1OC)S(=O)(=O)c1ccc(C)cc1	100009560	AVQXJHWREIZUKB-KRWDZBQOSA-N	331.393	3.404	50	50	EGGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2	3898767	GBGAYVFDISJAJD-YBFXNURJSA-N	327.384	3.261	50	50	EGGA	
Cc1ccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	2864999	RHFVBIFXABLSPM-UHFFFAOYSA-N	340.423	3.133	50	50	EGGA	
Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=S)Nc2ccc(F)cc2)cc1	374498	PAJGZHLUKNFMGE-HZPDHXFCSA-N	343.427	3.255	50	50	EGGA	
Cc1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1C	6401074	AVTRHXFSTDEZJC-UHFFFAOYSA-N	327.453	3.254	50	50	EGGA	
COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	4454027	XDNKHLULSVPQOW-UVTDQMKNSA-N	333.347	3.179	50	50	EGGA	
COc1ccc(NC(=O)N/N=C/c2c[nH]nc2-c2ccccc2)cc1	1875252948	QKKNLNXGHYIXFI-UDWIEESQSA-N	335.367	3.241	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1	59239	REGVRZFJZIFZPM-HNNXBMFYSA-N	330.409	3.053	50	50	EGGA	
COc1cc2ncc(NC(=O)[C@@H](F)Cl)c(Cl)c2cc1OC	2325901433	FXMAKJHAICPJJU-GFCCVEGCSA-N	333.146	3.378	50	50	EGGA	
O=C(N/N=C/c1ccc2nonc2c1)c1ccc(C(F)(F)F)cc1	1424743	YSIXVVFXGWUYNF-UFWORHAWSA-N	334.257	3.006	50	50	EGGA	
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1	15924875	CLTZWALLCDJYRP-UHFFFAOYSA-N	335.363	3.320	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)s2)n[nH]1	5687250	YWFDPBCCOMAJIK-VCHYOVAHSA-N	340.408	3.219	50	50	EGGA	
CCOCCSC1=C(C#N)[C@H](c2ccco2)C(C(C)=O)=C(C)N1	2921892	XPKFOICXCHYXIM-MRXNPFEDSA-N	332.425	3.334	50	50	EGGA	
C[C@]1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@@H]1Br	864056544	DYZMQHDORMWMBE-DYEKYZERSA-N	330.266	3.158	50	50	EGGA	
COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1Cl	8994932	YYCISVCMSOBXJI-NWDGAFQWSA-N	336.800	3.281	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3cccc(OC)c3)[nH]n2)cc1	9014104	HYGJOEQRTKZGRU-FYJGNVAPSA-N	348.406	3.412	50	50	EGGA	
COC1(CN(C(=O)CCl)c2cn(C)nc2C(C)C)CCCC1	1875382630	JXYZQUYXLNNJPX-UHFFFAOYSA-N	327.856	3.075	50	50	EGGA	
CCOc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccncc2)[nH]n1	232926	LGRDDGUQLIWXON-FYJGNVAPSA-N	349.394	3.024	50	50	EGGA	
C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(O)cc1	446674	IYEYVWKHYISTFI-DEDYPNTBSA-N	334.379	3.245	50	50	EGGA	
CCOCCSC1=C(C#N)[C@@H](c2ccco2)C(C(C)=O)=C(C)N1	2921890	XPKFOICXCHYXIM-INIZCTEOSA-N	332.425	3.334	50	50	EGGA	
C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C1\COc2ccccc21	43761319	RUNMDTQBRPLOLA-BNTYZMSGSA-N	330.771	3.020	50	50	EGGA	
O=C(NN=C1CCCCC1)c1ccccc1I	301529	QGZWYENWFOSOAS-UHFFFAOYSA-N	342.180	3.341	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)c1ccncc1	9324614	HYWLDILXLDVAGM-RGVLZGJSSA-N	339.786	3.279	50	50	EGGA	
O=C(N/N=C\c1ccc(Cl)s1)c1ccc(Cn2cccn2)o1	15989853	CNAQZNGLGYCUIQ-PXNMLYILSA-N	334.788	3.003	50	50	EGGA	
COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H](C)Cl)C[C@H](C)C2	1875377772	NCVVYFWZJACYJZ-WOPDTQHZSA-N	325.836	3.413	50	50	EGGA	
N#C/C(=C/c1ccco1)C(=O)OCc1cncc(Br)c1	222126768	ROEQHXHGFBNPIY-WZUFQYTHSA-N	333.141	3.087	50	50	EGGA	
CCC(=O)Oc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	25759396	UWVBBHVMPSCWQH-NTCAYCPXSA-N	336.395	3.384	50	50	EGGA	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccs2)n[nH]1	55774	POFBJWCYYLIGQW-VXLYETTFSA-N	335.392	3.383	50	50	EGGA	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12	2568381	ZEBCBZVYYCBOQM-FYJGNVAPSA-N	331.375	3.237	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(F)cc1	44582	IYVVHOGHQZNQAU-HNNXBMFYSA-N	334.306	3.150	50	50	EGGA	biogenic,in-vitro
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccnc1	81852	BPSSRMKDODSXFM-KXBFYZLASA-N	343.386	3.290	50	50	EGGA	
C=CCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1	2901282	JGOKSTALHQQGTK-UDWIEESQSA-N	344.798	3.434	50	50	EGGA	
CCOc1ccc(NCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1	252283	ABPKAIBBIDBHSB-WSDLNYQXSA-N	336.395	3.129	50	50	EGGA	
O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(Cl)s2)n[nH]1	5687360	PDSMNIKEFWDBMO-CAOOACKPSA-N	346.799	3.261	50	50	EGGA	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)OCO2	4587099	NJYGRFRKBOTJHP-CIAFOILYSA-N	348.358	3.428	50	50	EGGA	
C[C@@H](Oc1ccccc1Cl)C(=O)N/N=C1\CCOc2ccccc21	35653592	ZQQKNVFRPZPULX-FTRNENOISA-N	344.798	3.410	50	50	EGGA	
COc1cc(/C=C(\C#N)C(N)=O)ccc1OCc1ccc(Cl)cc1	138290	NRBMCQVMENCLSV-RIYZIHGNSA-N	342.782	3.320	50	50	EGGA	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2O)c1	47353	LLKNYHWKNNYXPG-RGVLZGJSSA-N	326.396	3.353	50	50	EGGA	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1O	286428	OQDUBUFLTCXTPG-CNRHGSOZSA-N	334.375	3.463	50	50	EGGA	
O=C(/C=C/C1CCCCCC1)NNc1nc(-c2ccncc2)no1	845380540	KICRAXKHFRAFSE-BQYQJAHWSA-N	327.388	3.101	50	50	EGGA	
O=C(CCl)N1N=C(c2cccs2)C[C@H]1c1ccc2c(c1)OCO2	45067815	PUWLKHBOTQZLKE-LBPRGKRZSA-N	348.811	3.393	50	50	EGGA	
CC(C)(C)OC(=O)N1CCC(C(C)(C)CNC(=O)CCl)CC1	1875368007	IHBATMMCPOEQGB-UHFFFAOYSA-N	332.872	3.015	50	50	EGGA	
COc1ccc(C(=O)N/N=C\c2ccc(Br)s2)cc1	4990612	LCRQDQDMCPFNOW-NVNXTCNLSA-N	339.214	3.283	50	50	EGGA	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)Nc2cccc(C)c2)cc1	8690299	ZWQAAAAGSDREOQ-DLBZAZTESA-N	339.464	3.425	50	50	EGGA	
CNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Br)c2)o1	1458687	NDPPMBZGQVYQEF-DHZHZOJOSA-N	331.169	3.362	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(Br)s1	293182	ILVIMEUBNIVPDS-ZDUSSCGKSA-N	349.209	3.434	50	50	EGGA	
COc1ccc(CC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC	5578862	MVNMFJURUZKRHR-UHFFFAOYSA-N	335.363	3.088	50	50	EGGA	
C=C[C@@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	169836844	VMORQSFDNWBFDD-SFHVURJKSA-N	340.539	3.358	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccccc1Br	292270	SUGOMGMGFCXAFG-OAHLLOKOSA-N	342.196	3.249	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@@H](c2sccc2C)C(C#N)=C(N)O1	4020064	WDNJCRAUQPOIFP-ZDUSSCGKSA-N	332.425	3.482	50	50	EGGA	
Cc1cc(C)nc(SCC(=O)NN=C/C=C/c2ccccc2)n1	245229358	VPZMWWQUWBBGKL-LLMQNPFWSA-N	326.425	3.001	50	50	EGGA	
O=C(NNC(=O)c1ccc(O)cc1)Nc1ccc(Cl)c(Cl)c1	2143627	MQHSLTHVHRVJMP-UHFFFAOYSA-N	340.166	3.166	50	50	EGGA	
CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccco2)[nH]n1	4094735	NZKTVCSTQQYVFV-XDHOZWIPSA-N	338.367	3.222	50	50	EGGA	
CC(/C=C/c1ccccc1)=NNC(=O)C(=O)Nc1ccc(C)cc1C	245239070	FCDDDGHTLGLVTL-OQPDVDKFSA-N	335.407	3.447	50	50	EGGA	
CC(=O)NNC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C)cc1)(C3)C2	16512155	YKVCSQHPUMYJCU-BANKROOTSA-N	326.440	3.000	50	50	EGGA	
C/C=C1\C[N@+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1c(OC)cccc14	253487852	RYFUCGCTWTVHMS-ONTLLBFPSA-O	337.443	3.010	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	1875364806	UQOJFQLAJPJNHC-NWDGAFQWSA-N	331.803	3.138	50	50	EGGA	
C[C@H](c1ccccc1)N1C[C@H](CI)CC1=O	196579127	WVQHXQUNSMYSKO-MNOVXSKESA-N	329.181	3.031	50	50	EGGA	
CN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	191716	DTGPJONADNJFQO-RGEXLXHISA-N	348.189	3.104	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1Br	207397	MDTKXKIPBJAMKK-HNNXBMFYSA-N	343.180	3.373	50	50	EGGA	
C/C(=N\NC(=O)c1cc(C(C)C)n[nH]1)c1ccc(Br)cc1	9241263	UYASNHQOSVSWDZ-LICLKQGHSA-N	349.232	3.450	50	50	EGGA	
COc1ccc(-c2nnc(/C(C#N)=C\c3cc(C#N)n(C)c3C)o2)cc1	1341364786	BQXFSCDDWLBDGT-NVNXTCNLSA-N	345.362	3.328	50	50	EGGA	
CCCCCCCOc1ccc(OCc2cccc(B(O)O)c2)cc1	169746674	YUUHHALRCQFRSL-UHFFFAOYSA-N	342.244	3.295	50	50	EGGA	in-vitro
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](O)c1ccccc1	437321	BGWOIPCGODMSAP-YRXLECQKSA-N	348.402	3.422	50	50	EGGA	
CCOc1ccc(/C=N\NC(=O)c2cncc(Br)c2)cc1	32666342	MPGNDJXHQBQYTL-LSCVHKIXSA-N	348.200	3.007	50	50	EGGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1453497	KYPPPSGQSSMKQF-HPAYWCODSA-N	347.758	3.166	50	50	EGGA	
O=C(N/N=C/c1ccncc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	3903127	NHKRYOQYFQYLBG-WSDLNYQXSA-N	349.438	3.036	50	50	EGGA	
CCc1n[nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	351042	CRTCDJXHDCPZPE-LBPRGKRZSA-N	335.194	3.497	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)C2[C@@H]3CCCC[C@@H]23)c(O)c1	100311241	LQMJJUCIEXYESZ-VTLGGBRFSA-N	329.444	3.125	50	50	EGGA	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1	4287243	GIYCERRDUMPLJR-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	2892390	YALHDQPRWZSGKE-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	9007763	DPRVDGYTCLBBDG-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
O=C(N/N=C/c1cccs1)C(=O)Nc1cccc(Cl)c1Cl	2568820	HGAIKUOLGVCQFL-FRKPEAEDSA-N	342.207	3.144	50	50	EGGA	
Cc1ccc([C@@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19831312	WGMBQYIBNHRLRP-IAGOWNOFSA-N	332.432	3.152	50	50	EGGA	
CCOC(=O)[C@H](Br)[C@@H](Br)c1ccccc1	1706972	CCYOCUPSKJUNMD-VHSXEESVSA-N	336.023	3.449	50	50	EGGA	biogenic,in-vitro
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1	36797	CWZIPRXQLRXWHA-DHZHZOJOSA-N	342.307	3.333	50	50	EGGA	
CCOc1ccccc1NC(=O)NNC(=O)c1csc(CC)c1	17068597	FAYLAAJEKORDOJ-UHFFFAOYSA-N	333.413	3.176	50	50	EGGA	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c(OC)c1C	609443	SSFVNZAALWMBKR-LFIBNONCSA-N	343.404	3.351	50	50	EGGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1n[nH]c2c1CCCC2	73001	NPMWMTSLYYOQBE-QGMBQPNBSA-N	337.210	3.359	50	50	EGGA	
O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1	4259346	QYZRNXLXKAUTRM-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CO	169858700	IIITUHPEBILIQR-QWHCGFSZSA-N	331.529	3.379	50	50	EGGA	in-vitro
O=C(N/N=C/c1c(Cl)cccc1Cl)c1n[nH]c2c1CCCC2	55654	BJZTYTBIBJJPIJ-QGMBQPNBSA-N	337.210	3.359	50	50	EGGA	
O=C(CCl)N(Cc1ccnn1C1CCC1)C[C@H]1CCCS1	1875382406	ZSNSPWVWIRWIRD-CQSZACIVSA-N	327.881	3.071	50	50	EGGA	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	288867	VRDLSXTUIVLTTD-INIZCTEOSA-N	330.343	3.320	50	50	EGGA	
Cl[C@H]([C@@H](Cl)n1nnc2ccccc21)n1nnc2ccccc21	1027663	UIAREUJWMRPZCP-KBPBESRZSA-N	333.182	3.351	50	50	EGGA	
CC(C)(C)[Si](C)(C)OCCSc1nnc(-c2ccco2)n1N	253424721	KETSAYJQTRRRIC-UHFFFAOYSA-N	340.525	3.366	50	50	EGGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccccc1F	52177	WMWIWFFLUSHUEU-OAHLLOKOSA-N	332.338	3.434	50	50	EGGA	
O[C@]1(c2ccc(Cl)cc2)[C@@H](CCCl)SC2=NCCCN21	4759841	LJULRUGRUGMKCP-TZMCWYRMSA-N	331.268	3.291	50	50	EGGA	
COCc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1	799754640	QIVKJXAAXBOMHR-UHFFFAOYSA-N	349.312	3.480	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1	293282	YKTBLRVVCPWMRQ-AWEZNQCLSA-N	332.787	3.375	50	50	EGGA	
C[C@H]1CC[C@@](C)(C(=O)NCCSSCCC(=O)O)C1(C)C	1875388884	UMRIGKGFWBAMDS-NHYWBVRUSA-N	333.519	3.421	50	50	EGGA	
COC(=O)c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1	59913	XDJZXSIZCOPYSH-HYARGMPZSA-N	346.386	3.319	50	50	EGGA	
CC(C)(C)[Si](OC[C@@H]1C[C@H]1CO)(c1ccccc1)c1ccccc1	195820519	UDQZGHRUSQGZFC-ROUUACIJSA-N	340.539	3.191	50	50	EGGA	
C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1O	102722606	OXOXOQVOAIOCIT-RGVLZGJSSA-N	328.412	3.154	50	50	EGGA	
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C(\O)C=O	257355745	CLFSGWWVUVITNE-MQMVGWAESA-N	342.435	3.276	50	50	EGGA	
Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@H]2Br)cc1	1591976	BFTYQNCPCZHZSQ-OLZOCXBDSA-N	333.247	3.406	50	50	EGGA	
CC(=O)NN(C(=O)c1cccnc1)c1nc2c(Cl)cccc2s1	36358077	DWUWWYSBBFPFKM-UHFFFAOYSA-N	346.799	3.043	50	50	EGGA	
COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1Cl	8996122	YYCISVCMSOBXJI-NEPJUHHUSA-N	336.800	3.281	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Br)C[C@H]1[C@@H]2Cl	245234671	CQNJIVNXDXPYJU-FCAWWPLPSA-N	346.496	3.212	50	50	EGGA	
COC(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)c(OC)c1	32578349	BIAPIPYSCRVIJK-RKXDMJPUSA-N	340.379	3.477	50	50	EGGA	
C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O	100038546	KVJXBPDAXMEYOA-CXANFOAXSA-N	329.440	3.467	50	50	EGGA	world
CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1	54058	KBPJDAUTUATIBA-LPYMAVHISA-N	347.422	3.434	50	50	EGGA	
O=C(N/N=C/c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	2568460	CZLPXDJZUSACDF-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
COc1ccc(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)cc1	39930215	LJZIRNIUOZHKHC-FYJGNVAPSA-N	338.407	3.103	50	50	EGGA	
CCc1cc(C(=O)N/N=C/c2ccc(OC)c(O)c2)c2ccccc2n1	249363	ZYQNJBPTACTVQT-CIAFOILYSA-N	349.390	3.275	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3cccs3)n[nH]2)cc1	16711622	UAVDGNYEMFOZMU-WOJGMQOQSA-N	340.408	3.301	50	50	EGGA	
C[C@H](Cl)C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1	1875380335	MAMPDQGRALLLEI-WMLDXEAASA-N	345.826	3.257	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1n[nH]c2c1CCCC2	73540	VOBLSHJWIWOGJT-QGMBQPNBSA-N	337.210	3.359	50	50	EGGA	
Cc1ccc(CSCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	443921	KDAJVSLQLXUDLS-VCHYOVAHSA-N	343.408	3.287	50	50	EGGA	
Cc1cc(C)c2c3c(sc2n1)[C@@]1(CCO[C@H]1C)C(C#N)=C(N)O3	1125870	OWJBQTLNNORECZ-DYZYQPBXSA-N	327.409	3.046	50	50	EGGA	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1	182538	QWSYGAJPBLDGKG-KRWDZBQOSA-N	343.386	3.309	50	50	EGGA	
CC(C)(C)[Si](OCC1(O)CC1)(c1ccccc1)c1ccccc1	169917310	FYCFHPVTNLZNLO-UHFFFAOYSA-N	326.512	3.088	50	50	EGGA	
COCc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC	371251	HZYCIDUHAKNDRU-VXLYETTFSA-N	332.787	3.259	50	50	EGGA	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccncc1	5204729	FQZAFUVFOTXXNQ-YBFXNURJSA-N	342.449	3.324	50	50	EGGA	
COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2cccs2)[nH]n1	5297330	UBTJDHQTESPXSW-WOJGMQOQSA-N	340.408	3.301	50	50	EGGA	
CCCc1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	4366190	PTANGUGTAKKRLB-XDHOZWIPSA-N	341.367	3.076	50	50	EGGA	
CC(C)c1ccsc1C(=O)NCCSSCCC(=O)O	1875389043	ZPBSHJVLJHVGOR-UHFFFAOYSA-N	333.500	3.457	50	50	EGGA	
C[C@H](Cl)C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	1875364311	LJEHEWYJJJRKHP-CMPLNLGQSA-N	337.782	3.209	50	50	EGGA	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	247233	WMUNVVDRJWSAKJ-SFKKXYGYSA-N	336.391	3.051	50	50	EGGA	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc([N+](=O)[O-])cc1	12582700	JWADVKZMIWXQJF-NOCLSSANSA-N	339.351	3.179	50	50	EGGA	
COc1cc(CBr)ccc1I	169796341	LMOHPKJDALSETL-UHFFFAOYSA-N	326.959	3.195	50	50	EGGA	
CC(C)(CCl)C(=O)Nc1ccc(I)cc1	3104473	PEEMTNRYTZMLTG-UHFFFAOYSA-N	337.588	3.495	50	50	EGGA	
O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccc(O)c1	2521688	UNXQREZSJDQPEX-QGMBQPNBSA-N	339.178	3.228	50	50	EGGA	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccco1)C(C#N)=C(N)O2	377434	AMVUBJGOJIQFDS-KRWDZBQOSA-N	332.363	3.051	50	50	EGGA	
CCOc1ccc(/C(CC)=N/NC(=O)c2cc(C3CC3)n[nH]2)cc1	4135896	VYYXGFFKAITZBO-XDJHFCHBSA-N	326.400	3.230	50	50	EGGA	
O[C@@]1(c2ccc(Cl)cc2)[C@@H](CCCl)SC2=NCCCN21	4759838	LJULRUGRUGMKCP-OCCSQVGLSA-N	331.268	3.291	50	50	EGGA	
CCOC(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CCC1	446914	MHYZRBUYOALHTG-UHFFFAOYSA-N	328.348	3.486	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccncc1	616333	KOHCOOGDNSAVKA-BEFAXECRSA-N	343.386	3.290	50	50	EGGA	
Cc1cc(OC(C)(C)C(=O)N/N=C/c2ccncc2)ccc1Cl	6825948	CQBWBAFIYAEWLS-RGVLZGJSSA-N	331.803	3.351	50	50	EGGA	
NNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12	6342183	QLYXLLUFCHPZOA-UHFFFAOYSA-N	342.196	3.268	50	50	EGGA	
Cc1ccc(OCC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	32565740	GITYJFSBRCUIRZ-NVMNQCDNSA-N	347.758	3.086	50	50	EGGA	
Clc1ncc(CBr)cc1I	98181090	FCNGEGBIKSXTAV-UHFFFAOYSA-N	332.366	3.235	50	50	EGGA	
O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@@]2(F)Cl)c1ccncc1	252469988	GCUBGKBZRMEWRJ-VQRJBZEGSA-N	348.180	3.262	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)c(F)c2)C(C#N)=C(N)O1	292870	NVBAWINRULKAHJ-HNNXBMFYSA-N	348.349	3.390	50	50	EGGA	
COC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1Cl	8994933	YYCISVCMSOBXJI-RYUDHWBXSA-N	336.800	3.281	50	50	EGGA	
C[C@H](Cl)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1	1875366176	YCGGSDSQCMTPSI-ZETCQYMHSA-N	326.771	3.495	50	50	EGGA	
C[C@H]1CCCC/C1=N/NC(=O)CCC(=O)N/N=C1/CCCC[C@@H]1C	39336569	SKSLOZQSOUWIGB-MVMWICHISA-N	334.464	3.131	50	50	EGGA	
COc1cccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	292771	GCBIUMZYSRJHID-WMZOPIPTSA-N	330.391	3.289	50	50	EGGA	
C[C@H](COc1ccc(Br)cc1)NC(=O)C(Cl)Cl	2162119	VMZSIAIQEVNNTC-SSDOTTSWSA-N	341.032	3.136	50	50	EGGA	
Cc1ccccc1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2	6382720	VSGYYFOPCAESQV-CIAFOILYSA-N	330.391	3.248	50	50	EGGA	
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	62984	HEWXGEJOTWTQRP-OAHLLOKOSA-N	332.787	3.373	50	50	EGGA	
O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1	4261343	VRFDGEHXEHCEID-MZBBQUMVSA-N	327.771	3.094	50	50	EGGA	
O=C(NNc1ncnc2ccsc12)[C@@H]1SCCc2sccc21	132487977	GUIVNZPURWAXID-LLVKDONJSA-N	348.478	3.227	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c(O)c1	252320691	LQMJJUCIEXYESZ-NIDRXSANSA-N	329.444	3.125	50	50	EGGA	
CCOC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1F	302191	MHZNQBRIUOEGKY-CHWSQXEVSA-N	334.372	3.157	50	50	EGGA	
C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1ccccc1	13564015	QKLIKYTUJFDXLZ-DEDYPNTBSA-N	338.436	3.206	50	50	EGGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1	2562167	CFSPXTHUDMFZPG-LDADJPATSA-N	326.421	3.399	50	50	EGGA	
COc1ccc(C(=O)[C@@H](Br)CN2CCCCC2)cc1	96026462	ZBGFKDZGLFUKMI-AWEZNQCLSA-N	326.234	3.127	50	50	EGGA	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccn1	354794	HVYWVAKWXDSCJC-YBFXNURJSA-N	336.307	3.014	50	50	EGGA	
CCCc1n[nH]c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	4677615	ZXMWMINQYWBWRM-LBPRGKRZSA-N	332.766	3.373	50	50	EGGA	
CC(=O)Oc1ccccc1C[C@H](Br)CBr	142851565	ZTPVXZYMCGHHBL-JTQLQIEISA-N	336.023	3.313	50	50	EGGA	
O=C(CSCc1ccc(F)cc1)NNC(=S)Nc1ccccc1	6402920	VTGOCXHROPQTLJ-UHFFFAOYSA-N	349.456	3.077	50	50	EGGA	
C[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1Br)[C@H]2[C@](O)(c1ccccc1)[C@H]53	245227688	SZCGKEUXKLALMI-OKMHOYHXSA-N	331.253	3.416	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1	3072823	GCXFBVGUOVEULT-VXLYETTFSA-N	329.787	3.046	50	50	EGGA	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c1	2898538	UGGUGIDLXPHSKR-DEDYPNTBSA-N	340.379	3.033	50	50	EGGA	
O=C(N/N=C\c1ccc(Br)s1)[C@@H]1[C@H]2CCCC[C@H]21	245238421	NQPYXXXQMQQTEN-JAFVDITQSA-N	327.247	3.397	50	50	EGGA	
COc1ccc2sc(NC(=O)/C(C#N)=C/c3ccccn3)nc2c1	4543025	IOWBNDAJMDRGPS-DHZHZOJOSA-N	336.376	3.246	50	50	EGGA	
CC[C@H](C)c1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1	615856	WGUXBDGSPQWIIH-AWEZNQCLSA-N	332.444	3.307	50	50	EGGA	
CCc1cccc(/C=N/NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)c1	5403163	SYBLVNRPZRFCFZ-FYJGNVAPSA-N	348.406	3.412	50	50	EGGA	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccc(C)c1	1426854	BLHUTHUKZMXDAS-AWEZNQCLSA-N	340.404	3.370	50	50	EGGA	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1ccccc1C(=O)O	170592926	ASRSGWXNTYBYJU-YRNVUSSQSA-N	339.376	3.264	50	50	EGGA	
CC(C)(C)C(=O)NNC(=O)CCCOc1ccc(Cl)cc1Cl	2882990	XOGUYHSYHXJXGF-UHFFFAOYSA-N	347.242	3.346	50	50	EGGA	
C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccc(Cl)cc1	8564923	YQQPVUOEEONHDS-XDHOZWIPSA-N	341.802	3.015	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccccc1C(F)(F)F	5010154	WACCCWCGEAVNPT-UKWGHVSLSA-N	338.333	3.128	50	50	EGGA	
C=CCOc1ccccc1/C=N/NC(=O)COc1ccccc1Cl	4347472	UACZWLOYCNLGKO-UDWIEESQSA-N	344.798	3.434	50	50	EGGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccccc1Cl	3668259	TVWKIRHERFOGTK-OAHLLOKOSA-N	330.771	3.151	50	50	EGGA	
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@@H]1c1ccccc1	217458761	OLUGSZUWEAVXBJ-MDKPJZGXSA-N	347.418	3.320	50	50	EGGA	
CCc1ccccc1NC(=O)NNC(=O)CCc1ccc(OC)cc1	15933753	ZJWZDWWDNRJZLB-UHFFFAOYSA-N	341.411	3.043	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1O)[C@@H]1[C@H]2CCCC[C@H]21	252320635	HIRSECWGSKHNNL-AXYDWPMFSA-N	337.217	3.041	50	50	EGGA	
O=C(CN1CCCCCCC1)N/N=C/c1ccccc1C(F)(F)F	4832338	QNYBTGFEVCNYGJ-CIAFOILYSA-N	341.377	3.422	50	50	EGGA	
C/C(=N\NC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1	1875253660	ZZMHKUAPEAQQNR-IFRROFPPSA-N	327.228	3.291	50	50	EGGA	
CO[C@@H](C(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	435010	ICWNWRGCNXZFDU-BFERYNQYSA-N	347.758	3.086	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc3[nH]cnc3c2)cc1	13635469	FQLNAYAQEKHXJE-WSDLNYQXSA-N	335.411	3.173	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@H](C)[C@H](c1ccccc1Cl)n1cccn1	1875376212	PBRYLHUWYHMXGM-MISXGVKJSA-N	326.227	3.258	50	50	EGGA	
COc1cccc(NCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c1	1875390466	XWWBVDXSCXQGJH-ZMXXWZEJSA-N	327.428	3.035	50	50	EGGA	
Cc1ccccc1CSCC(=O)NNC(=S)Nc1ccccc1	6401651	ILXJWCPZLHJIOC-UHFFFAOYSA-N	345.493	3.246	50	50	EGGA	
CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)C2CCCCC2)cc1	615855	WGUXBDGSPQWIIH-CQSZACIVSA-N	332.444	3.307	50	50	EGGA	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	254799541	XVXURAGENAPLOT-NYIQUGIWSA-N	326.396	3.060	50	50	EGGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1	137915	RNUIYMZZBZSTNX-ZGXHQARYSA-N	332.787	3.266	50	50	EGGA	
O=C(NN=C1CCCC1)c1ccc(C(=O)NN=C2CCCC2)cc1	299328	PVQBKBZXXQYHAF-UHFFFAOYSA-N	326.400	3.006	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1	36198	VEQGLLBDKJRYDE-HNNXBMFYSA-N	339.351	3.046	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	63016	GGZUQQIDZPPTDP-ZDUSSCGKSA-N	348.280	3.185	50	50	EGGA	
C/C(=N\NC(=O)c1cccc(Br)c1)c1cc(O)ccc1O	4949046	USRCOUQFFKQLGB-RQZCQDPDSA-N	349.184	3.014	50	50	EGGA	
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	62983	HEWXGEJOTWTQRP-HNNXBMFYSA-N	332.787	3.373	50	50	EGGA	
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@@]2(C)/C(=C(/O)C=O)CC[C@H]12	257355744	CLFSGWWVUVITNE-HROUQBJPSA-N	342.435	3.276	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1[N+](=O)[O-]	4427240	BAVLYSBNEQORIY-OAHLLOKOSA-N	339.351	3.046	50	50	EGGA	
O=C(N/N=C\c1c[nH]c2ccccc12)c1cncc(Br)c1	55524930	LXBRQHINQNRKRB-UWVJOHFNSA-N	343.184	3.089	50	50	EGGA	
C[C@]12C[C@H](Br)[C@H](Br)C[C@@]1(C)CN(N=O)C2	101138365	FNLMPIAUBAXGBY-FIRGSJFUSA-N	340.059	3.317	50	50	EGGA	
CCC1CCC(=NNC(=O)c2nn(C)c(C)c2Br)CC1	6851066	KCKZJROIYXRSEZ-UHFFFAOYSA-N	341.253	3.177	50	50	EGGA	
Cc1c(Cl)cccc1NC(=O)CSCCOC(=O)CCl	665887183	YPPZGAIWWWUGQA-UHFFFAOYSA-N	336.240	3.102	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1	433271	TYKMBDDRBVHGGG-KGENOOAVSA-N	339.439	3.370	50	50	EGGA	
CCn1c(SCC(=O)N/N=C(\C)c2ccco2)nc2ccccc21	55582	NSNDOZRMVOHJHJ-XDHOZWIPSA-N	342.424	3.282	50	50	EGGA	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(=O)O)cc3)nc2c1	5028020	UVGNCCVUBDACOR-ZROIWOOFSA-N	333.347	3.399	50	50	EGGA	
COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@@H](C)Cl)C[C@@H](C)C2	1875377770	NCVVYFWZJACYJZ-TUAOUCFPSA-N	325.836	3.413	50	50	EGGA	
O=C(N/N=C/c1cc(O)ccc1Br)c1cccc(F)c1	298786	ILIRPIHMVCSUFA-CAOOACKPSA-N	337.148	3.058	50	50	EGGA	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c1	5059038	FNMKCUMKRDGCDN-GDNBJRDFSA-N	336.347	3.329	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	206561	PDFRDMWUCOVRCW-ZDUSSCGKSA-N	349.173	3.473	50	50	EGGA	
O=C(Cn1cnc2ccccc21)N/N=C/c1ccccc1C(F)(F)F	228812	IRMJMXSYGCLKJG-LSFURLLWSA-N	346.312	3.205	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1	81859	BPSSRMKDODSXFM-DNVCBOLYSA-N	343.386	3.290	50	50	EGGA	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1	32617891	FFCZTVFCHSBPNQ-MOSHPQCFSA-N	341.459	3.317	50	50	EGGA	
O=CC1=C(Cl)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4	281699	REMANBWOZNJDMP-UHFFFAOYSA-N	334.828	3.279	50	50	EGGA	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Br)c1	284828	HDEOPXGRYOFKSP-CQSZACIVSA-N	333.185	3.120	50	50	EGGA	
C=CCNC(=S)NNC(=O)c1csc(C)c1-c1ccc(C)cc1	17072033	PPOGAGIJYKVEFM-UHFFFAOYSA-N	345.493	3.327	50	50	EGGA	
COc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2csc(C)c2)cc1	8556114	KZVVYISBKUDNCC-DJKKODMXSA-N	340.408	3.219	50	50	EGGA	
Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	290507	ZFKXNGXCMAEZRY-MRXNPFEDSA-N	330.343	3.320	50	50	EGGA	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)c1	9186685	IBTUECVJNMDTPO-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
O=C(NNc1nccnc1Cl)c1ccccc1SC(F)F	114894131	KAFKBQFTUXZLPA-UHFFFAOYSA-N	330.747	3.202	50	50	EGGA	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	247217	WMUNVVDRJWSAKJ-RBFDBLARSA-N	336.391	3.051	50	50	EGGA	
N#C/C(=C/c1ccco1)C(=O)N1CC[C@@H](COCc2ccccc2)C1	221792209	CXIYGALFKIOEGR-LVSMMTLPSA-N	336.391	3.252	50	50	EGGA	
O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2Cl)n[nH]1	8835988	PVFULSBFCKKMEY-VXLYETTFSA-N	340.770	3.200	50	50	EGGA	
CCCCSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)CC(=O)N1	9015313	ZBRSFVFSHUOMSR-GFCCVEGCSA-N	330.409	3.287	50	50	EGGA	
O=C(O)c1ccccc1C(=O)NNc1ccc(Cl)cc1Cl	2569419	VJBDXJJENVZVMA-UHFFFAOYSA-N	325.151	3.449	50	50	EGGA	
CC(C)(C)[Si](OCC(=O)CCl)(c1ccccc1)c1ccccc1	328578064	SRXHYPYJSRSMBL-UHFFFAOYSA-N	346.930	3.371	50	50	EGGA	
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1cc2ccccc2o1	5294706	WMRAJYPSFFKCKQ-RGVLZGJSSA-N	331.331	3.038	50	50	EGGA	
COc1cccc(NC(=O)C/C(C)=N/NC(=O)C2CCCCC2)c1	18324098	AIOOCVBLNRCJNU-DEDYPNTBSA-N	331.416	3.096	50	50	EGGA	
CCOC(=O)C(C[C@@H](Br)c1ccccc1)C(=O)OCC	2035246	QNUOOZOJYQNGMC-CYBMUJFWSA-N	343.217	3.255	50	50	EGGA	
COc1cc([C@@H]2C(C#N)=C(SC)NC3=C2C(=O)CCC3)ccc1O	20065970	GNFSYWLSJRQLFR-MRXNPFEDSA-N	342.420	3.193	50	50	EGGA	
O=C(N/N=C/[C@@H]1CC=CCC1)C(O)(c1ccccc1)c1ccccc1	35379	HLAAUUBZBPYYEZ-FIOICXDGSA-N	334.419	3.381	50	50	EGGA	
O=C(N/N=C/c1ccc2nccn2c1)c1ccc(Cl)c(Cl)c1	675083029	SMLXIHOGYMYSOB-UFWORHAWSA-N	333.178	3.405	50	50	EGGA	
O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1cccc2ccccc12	2571820	TYPLVHSLHBJSHG-CIAFOILYSA-N	335.338	3.068	50	50	EGGA	
C/C(=N/NC(=O)COc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	4996633	GMEXFWBFQSJIBU-WQRHYEAKSA-N	347.758	3.167	50	50	EGGA	
CCOc1ccc(/C(C)=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1	6493502	MBDVPMSCENVADP-XDHOZWIPSA-N	328.416	3.260	50	50	EGGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)c(Cl)c1	59413	NAMILNMMKLSOPD-CYBMUJFWSA-N	339.178	3.248	50	50	EGGA	
Cc1nn(C(C)C)c(C)c1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)C)c21	67604758	OLBBUXZOYMTLMO-AWEZNQCLSA-N	340.431	3.146	50	50	EGGA	
O=C(N/N=C/c1ccc(Br)cc1)c1ccc2[nH]cnc2c1	536359	SVLPMTKZHYJHBX-UFWORHAWSA-N	343.184	3.089	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccccc1	443776	TZHOXPGRQKCHJW-UGSOOPFHSA-N	332.359	3.488	50	50	EGGA	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1	470247	NTFSRAZSEJROKC-KRWDZBQOSA-N	338.388	3.355	50	50	EGGA	
O=C(CN1CCCCCC1)N/N=C/c1ccc(Cl)cc1Cl	4990357	DKTMFYJOAJOSDZ-VCHYOVAHSA-N	328.243	3.320	50	50	EGGA	
Cc1cccc(C)c1OCC(=O)N/N=C1\CCOc2c(C)cccc21	35653594	BDMXHESPDKAHHN-HEHNFIMWSA-N	338.407	3.294	50	50	EGGA	
C[C@@H](COc1ccc(Br)cc1)NC(=O)C(Cl)Cl	2162117	VMZSIAIQEVNNTC-ZETCQYMHSA-N	341.032	3.136	50	50	EGGA	
CC(C)(C)C(=O)/C(C#N)=C/N1CCN(C/C=C/c2ccccc2)CC1	33733118	ITKGYJJKSOHMMW-WMISXGAJSA-N	337.467	3.340	50	50	EGGA	
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccccc1	5621020	PEARIESFPKJWIP-LICLKQGHSA-N	333.185	3.309	50	50	EGGA	
CCC[C@@H](NC(=O)CCl)c1ncc(-c2ccc3c(c2)OCO3)[nH]1	1875363993	GZNMYAARVXTSSC-LLVKDONJSA-N	335.791	3.002	50	50	EGGA	
O=C(CCl)N[C@H]1CCc2cc(OCc3ccccc3)ccc2C1	1875383607	APIYAIHVUHBMEC-KRWDZBQOSA-N	329.827	3.478	50	50	EGGA	
CSc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1	241992	SWDVWDHKAKGAFQ-QLJPJBMISA-N	326.421	3.469	50	50	EGGA	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)[C@H](F)Cl)ccc1Cl	1265400	UEOLELDGRNXCJA-ZETCQYMHSA-N	338.090	3.149	50	50	EGGA	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NCc1ccccc1	222311771	FYJWMJZUOAEKHN-RIYZIHGNSA-N	341.754	3.472	50	50	EGGA	
CCSC1=C(C#N)[C@@H](c2ccccc2OC)[C@@H](C(=O)OC)C(O)=N1	9044461	BUTWUVPPDRDFJO-ZIAGYGMSSA-N	346.408	3.026	50	50	EGGA	
COc1cccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)c1	4854393	SBBPJYQKJMSUEX-XNTDXEJSSA-N	341.374	3.399	50	50	EGGA	
O=C(N=c1ccn(Cc2c(Cl)cccc2Cl)[nH]1)[C@@H](F)Cl	2325898627	OROBHSFVASMADV-LLVKDONJSA-N	336.581	3.133	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccoc1	207854	KVJKZPIMYZVRCS-KDOFPFPSSA-N	332.359	3.488	50	50	EGGA	
CCOc1ccc(NC(=O)NNC(=O)c2csc(C)c2CC)cc1	611870	WHGQHVCPLOPNOV-UHFFFAOYSA-N	347.440	3.484	50	50	EGGA	
CO[C@H](C(=O)N/N=C/c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1	435008	ICWNWRGCNXZFDU-ZNBBLSJYSA-N	347.758	3.086	50	50	EGGA	
CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1ccc(Cl)cc1	4261300	BRGFBUZKXLSBFK-WLGVBFMHSA-N	341.798	3.484	50	50	EGGA	
Cc1ccccc1NCC(=O)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	32603749	GGPUVYVGOAXYQN-OCKHKDLRSA-N	346.774	3.119	50	50	EGGA	
CC(C)(C)c1n[nH]c2c1[C@@H](c1cc(F)ccc1F)C(C#N)=C(N)O2	472343	XYLHBIHLNNETJW-LBPRGKRZSA-N	330.338	3.204	50	50	EGGA	
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCl	1341510020	XPMOFSJSXPMSTK-UHFFFAOYSA-N	328.199	3.367	50	50	EGGA	
O=C(N/N=C/c1ccccc1F)c1n[nH]c2c1CCc1ccccc1-2	230944	LBYKZJFRJBQKGP-SRZZPIQSSA-N	334.354	3.078	50	50	EGGA	
C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C2CCC2)cc1	5697214	IIMOZCMESXSDOK-MTJSOVHGSA-N	339.395	3.481	50	50	EGGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC=C12	47851	QVBWMJUFKQWFSF-WBVHZDCISA-N	345.362	3.188	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2C)cc1	4229964	DZGNGHITAKIRGR-VXLYETTFSA-N	329.787	3.046	50	50	EGGA	
O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccccc1Cl	2566316	HLEMOYMMNZLIGD-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
O=C(NNC1=C(C(=O)C(F)(F)F)CCC1)c1cccc(Cl)c1	4812107	KERYBVXPXPANOI-UHFFFAOYSA-N	332.709	3.144	50	50	EGGA	
O=C(NN=C(c1ccccc1)c1ccccc1)[C@H]1CCn2cncc2C1	151325068	GOUHZFPCWYGPGX-SFHVURJKSA-N	344.418	3.014	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	3152698	HSOZQCPSFBIXQC-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
COc1cc(/C=C/C(=O)O)ccc1OCCCCBr	5670193	JEHTXPQSURONEX-FNORWQNLSA-N	329.190	3.347	50	50	EGGA	
Cc1cccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)c1	5318893	KWWHIPVIUKFXKJ-CIAFOILYSA-N	330.391	3.248	50	50	EGGA	
COc1ccc(/C=N\NC(=O)CNc2ccc(C)cc2)cc1Cl	32606235	AIXPKOOWQXNUJH-JMIUGGIZSA-N	331.803	3.219	50	50	EGGA	
Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=S)Nc2cccc(C)c2)cc1	8685700	ZWQAAAAGSDREOQ-IRXDYDNUSA-N	339.464	3.425	50	50	EGGA	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3)[nH]n2)cc1	12362452	CRRJJVSTBPBUDP-DEDYPNTBSA-N	334.379	3.239	50	50	EGGA	
CC(C)CN1CCC(C(=O)NNc2ccc3ccccc3n2)CC1	952991769	ZCIHQZGEZUWOLA-UHFFFAOYSA-N	326.444	3.046	50	50	EGGA	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccccc1	1426848	PEWLWWXOTWHDNM-CYBMUJFWSA-N	326.377	3.061	50	50	EGGA	
CCOP(=O)(OCC)[C@H](Br)C(=O)OC(C)(C)C	141076195	YLZQCXBJSCWQHB-QMMMGPOBSA-N	331.143	3.315	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	47857	AQJQVFINWMIQMX-LBPRGKRZSA-N	349.173	3.473	50	50	EGGA	
CCOc1ccc([C@H]2CC(=O)NC(SCC)=C2C#N)cc1OC	9375018	MSSCLDJIFYPVMW-GFCCVEGCSA-N	332.425	3.186	50	50	EGGA	
O=C(NNC(=S)Nc1ccc(F)c(Cl)c1)c1ccsc1	39199	HVNOGPQZZKAWSG-UHFFFAOYSA-N	329.809	3.172	50	50	EGGA	
O=C(N/N=C/c1cccc2ccccc12)[C@H]1COc2ccccc2O1	291136	WNZCHBHKCFIAFD-MRUVXERFSA-N	332.359	3.130	50	50	EGGA	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	486665	MFXQBKYOYFUWNB-VCHYOVAHSA-N	346.774	3.078	50	50	EGGA	
O=C(CN1CCCCCCC1)N/N=C/c1ccc(C(F)(F)F)cc1	4832331	SLOSNCIOZSCZJO-CIAFOILYSA-N	341.377	3.422	50	50	EGGA	
C/C(=N\NC(=O)c1cc(Cl)cc(Cl)c1O)c1ccc(N)cc1	4982070	NSTGKRMCGDZQCT-UFWORHAWSA-N	338.194	3.435	50	50	EGGA	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)c1ccc(Cl)cc1	5612681	KQDABNHUCRKMAB-UDWIEESQSA-N	329.787	3.475	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccccc1O	16789632	NSGHYWPHWHUEOK-DEDYPNTBSA-N	334.379	3.245	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1Br	207401	MDTKXKIPBJAMKK-OAHLLOKOSA-N	343.180	3.373	50	50	EGGA	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1	4615052	KWTRHSBWDVUTFD-TUVRHOMCSA-N	335.407	3.289	50	50	EGGA	
CC1=C(n2nnc3ccccc32)[C@@H](c2ccccc2)C(C#N)=C(N)O1	33345	KCHZSQYIEAAJMH-KRWDZBQOSA-N	329.363	3.128	50	50	EGGA	
COC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1Cl	8996121	YYCISVCMSOBXJI-VXGBXAGGSA-N	336.800	3.281	50	50	EGGA	
COc1ccc(-c2n[nH]cc2/C=N/NC(=O)CCc2ccccc2)cc1	370436	GHSVNLBIZOFFEA-FYJGNVAPSA-N	348.406	3.168	50	50	EGGA	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OC)c1O	15685576	JNWBKWCZOQYABF-ZSOIEALJSA-N	338.363	3.264	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2cccc(F)c2)C(C#N)=C(N)O1	77669	XDJXRNNFSBQWKR-OAHLLOKOSA-N	330.359	3.249	50	50	EGGA	
Cc1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)o1	13154667	NMHPDXAMPMSCAJ-QOYJSAPCSA-N	336.347	3.031	50	50	EGGA	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)[C@@H]1C[C@H]3CC[C@H]1C3)C2	1875391023	DXFIBDJJTJDEHK-GHRSQXLNSA-N	346.471	3.284	50	50	EGGA	
N#C/C(=C/c1ccc(N2CCOCC2)o1)c1cccc([N+](=O)[O-])c1	5028069	OXJCDDARIIBFBC-KAMYIIQDSA-N	325.324	3.089	50	50	EGGA	
O=C(CC12CC3CC(CC(C3)C1)C2)N/N=C\c1ccc([N+](=O)[O-])o1	4738022	YWJYXUHJLTXSFM-ZDLGFXPLSA-N	331.372	3.244	50	50	EGGA	
O=C(N/N=C/c1ccncc1)c1cc(-c2ccc3ccccc3c2)n[nH]1	8462823	DBRZYNKKQQLXEX-LPYMAVHISA-N	341.374	3.389	50	50	EGGA	
O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@@](F)(Cl)[C@@]2(F)Cl)c1ccncc1	230135451	GCUBGKBZRMEWRJ-DWMCMLRQSA-N	348.180	3.262	50	50	EGGA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(N)=O	252693066	AIMQMSBWBNRJGW-SUXUIGRUSA-N	347.503	3.414	50	50	EGGA	biogenic
COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	242857	XFHGBWZOEQHUHO-LICLKQGHSA-N	333.185	3.222	50	50	EGGA	
N#Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1	358113	VNIKKEIQEKEEDP-AWQFTUOYSA-N	348.189	3.394	50	50	EGGA	
C[C@H](Cl)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	1875364579	XEXLHZNOMNVAGZ-NSHDSACASA-N	334.778	3.322	50	50	EGGA	
O=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccccn1	609234	IGXMACWXMFRFIO-UHFFFAOYSA-N	341.223	3.020	50	50	EGGA	
Cc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1O	799749860	PKWFYWYADHKUNW-UHFFFAOYSA-N	335.285	3.348	50	50	EGGA	
C[C@H](CC(=O)[C@@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccccc1O	5043370	QEQGNBJQSYVHJZ-LBTNJELSSA-N	344.455	3.213	50	50	EGGA	
CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)Cl	1875380147	GKVKZQRWEGWIOM-YSVLISHTSA-N	337.895	3.076	50	50	EGGA	
C/C(=N\NC(=O)NCc1ccco1)c1ccc(Br)s1	222150175	DESPZEXBIWGTPQ-OVCLIPMQSA-N	342.218	3.327	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3OC)[nH]n2)cc1	9015048	UTMJLSKBAFSAMG-FYJGNVAPSA-N	348.406	3.412	50	50	EGGA	
O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccc(Cl)c1	1394332	YPDPLYSMYQVRDN-UHFFFAOYSA-N	339.782	3.206	50	50	EGGA	
Cc1cccc(NC(=S)NNC(=O)CCc2ccccc2)c1C	6401466	BRGBRUOCQINOLA-UHFFFAOYSA-N	327.453	3.254	50	50	EGGA	
COC(=O)c1cc(Br)c(CBr)cc1OC	168251301	DYTNTMQRUUZCGS-UHFFFAOYSA-N	337.995	3.139	50	50	EGGA	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(O)cc1O	60303	LESIPFLFUFOLEV-REZTVBANSA-N	325.151	3.169	50	50	EGGA	
Cc1cccc2cc(/C=N/NC(=O)CN3CCCCC3)c(Cl)nc12	5024252	GWYFPYWCATVIMF-RGVLZGJSSA-N	344.846	3.133	50	50	EGGA	
C[C@]1(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)C[C@@H]1Br	252441050	CIGRASSTVHFEOB-OOVXDXFJSA-N	345.301	3.112	50	50	EGGA	biogenic
O=C(N/N=C/c1cccnc1)c1cc(-c2ccc3ccccc3c2)n[nH]1	4427666	YSRQCURJHTWWMU-LPYMAVHISA-N	341.374	3.389	50	50	EGGA	
COCc1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)ccc1OC	32573670	XKQUWVNVSUDSHD-BOPFTXTBSA-N	343.404	3.180	50	50	EGGA	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@@H](F)Cl	2325898495	HPKVNZHMQAAEDV-CQSZACIVSA-N	344.814	3.173	50	50	EGGA	
c1ccc([P+](C2=NNCC2)(c2ccccc2)c2ccccc2)cc1	101013035	GCMZGZLQXSHRLR-UHFFFAOYSA-N	331.379	3.287	50	50	EGGA	
C[C@@H]1CCc2cc(C(=O)NNC(=O)Nc3ccccc3)sc2C1	17067513	VFUQRAZUICZYDA-LLVKDONJSA-N	329.425	3.339	50	50	EGGA	
COc1cccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c1OC	148310	LHINXKGHOYTOIJ-RVDMUPIBSA-N	329.377	3.042	50	50	EGGA	
CCCc1cc(C(=O)NNC(=S)NCc2ccccc2)cs1	8828877	XVLALRNQCHBCLE-UHFFFAOYSA-N	333.482	3.010	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(C)oc1SCC	2751967	NNWCRQLJRBBTNN-CQSZACIVSA-N	348.424	3.345	50	50	EGGA	
N#Cc1cccc(NNC(=O)c2ccc(OCc3cccnc3)cc2)c1	748048141	GIIUIMQRTVTDIA-UHFFFAOYSA-N	344.374	3.289	50	50	EGGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(O)c1	191794	KORZRFCTBCNNOG-RQZCQDPDSA-N	343.433	3.244	50	50	EGGA	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccoc2)C(C#N)=C(N)O3)cc1	5817664	VYUDEOJFYNCAMU-HNNXBMFYSA-N	348.362	3.287	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(Cl)cc1Cl	55663	ZUMUYDKUKLSSMX-QGMBQPNBSA-N	339.226	3.416	50	50	EGGA	
O=C(NNC(=O)c1ccc(O)cc1)Nc1c(Cl)cccc1Cl	3086039	LWIBXMMMUQAJJM-UHFFFAOYSA-N	340.166	3.166	50	50	EGGA	
O=C(NCc1ccccc1)c1ccc(-c2noc(CCl)n2)cc1	34924947	DXJKTWHZURGGAT-UHFFFAOYSA-N	327.771	3.405	50	50	EGGA	
O=C(Cc1cccc2c1CCCC2)N/N=C/c1cccc([N+](=O)[O-])c1	43761196	RKGLEERCSKMSNX-DEDYPNTBSA-N	337.379	3.166	50	50	EGGA	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2ccccc2cc1O	65525	LYOAQKWVHZVHAI-YBFXNURJSA-N	335.319	3.218	50	50	EGGA	
O=C(Nc1ccccc1NC(=O)C(Cl)Cl)C(Cl)Cl	370137	NFFILEWACNXASG-UHFFFAOYSA-N	329.998	3.171	50	50	EGGA	
O=C(CCl)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1	1875383226	LSSATEIXNRUZRS-MOPGFXCFSA-N	342.870	3.257	50	50	EGGA	
O=C(NNc1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1	234721	TUHVPDMVOAORBK-UHFFFAOYSA-N	346.430	3.346	50	50	EGGA	
C[C@]1(O)C[C@H]2CC[C@@]1(CBr)[C@@]2(C)CBr	216514108	CUZDZUKDCNAKGY-VPOLOUISSA-N	326.072	3.334	50	50	EGGA	
N#C/C(=C/c1cn(CCC(N)=O)c2ccccc12)c1ccc(C#N)cc1	16383022	PMKPWMCEMWXBEY-BOPFTXTBSA-N	340.386	3.453	50	50	EGGA	
CCc1n[nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	18123223	MUCFUPOYNXWFST-LBPRGKRZSA-N	335.194	3.497	50	50	EGGA	
COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2O)c1O	6182503	ACSQNSJFCWTYDK-RGVLZGJSSA-N	336.347	3.024	50	50	EGGA	
O=C(CCl)Nc1ccc(Cl)cc1I	218376489	NGHGAAUPFPSZEY-UHFFFAOYSA-N	329.952	3.122	50	50	EGGA	
O=C(N/N=C/c1ccccc1F)c1cc(Br)ccc1O	234145	KFDOGUSERGADPK-CAOOACKPSA-N	337.148	3.058	50	50	EGGA	
O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1ccncc1	2241617	ZPJZBAXFJIEXDC-UHFFFAOYSA-N	341.223	3.020	50	50	EGGA	
N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)c1ccc(C(=O)O)cc1	16448806	UYDYIXFXFIVAOV-DHDCSXOGSA-N	346.342	3.488	50	50	EGGA	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@H](F)Cl	2325901664	RGNPTYPKNCJKOD-AWEZNQCLSA-N	336.798	3.453	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(OC)c(C)c1	292508	ZBUMRSRROMEOIR-INIZCTEOSA-N	342.395	3.039	50	50	EGGA	
COc1cccc(OCC(=O)N/N=C(/C)c2c[nH]c3ccccc23)c1	44672313	JKVVPVNQRBJPMP-BKUYFWCQSA-N	337.379	3.096	50	50	EGGA	
C/C(=N\NC(=O)C1[C@H]2CCC=CCC[C@H]12)c1cccc([N+](=O)[O-])c1	5221370	BRCHFXZUHOEWIR-LJBUIPFCSA-N	327.384	3.427	50	50	EGGA	
CCCCCCCCOc1ccc(-c2cc(C(=O)NN)n[nH]2)cc1	2686154	VFYTXLSCWNFKDF-UHFFFAOYSA-N	330.432	3.420	50	50	EGGA	
CO[C@H](C(=O)N/N=C/c1ccccc1Br)c1ccccc1	438958	RLBJYRWIKSRRNM-LZNAANCOSA-N	347.212	3.287	50	50	EGGA	
CC(C)(C)[Si](OC[C@H](O)CCl)(c1ccccc1)c1ccccc1	197282955	YXGKDONGRNVUPO-MRXNPFEDSA-N	348.946	3.163	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(O)cc(O)c1	95427	IBBPSYGRVFPQND-REZTVBANSA-N	325.151	3.169	50	50	EGGA	
C[C@@H](Cl)C(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1	1875363513	GLIMQVZSRHOLKU-ZYHUDNBSSA-N	327.762	3.306	50	50	EGGA	
CCn1ccnc1SCC(=O)N/N=C1/C[C@H]2CC[C@@]1(C)C2(C)C	170599164	UVSDPEAGCRAATM-MRKQZKNWSA-N	334.489	3.314	50	50	EGGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1	309637	NGMHEGLNXGMIRI-KRWDZBQOSA-N	329.359	3.462	50	50	EGGA	
COc1ccc(NCCCC(=O)N/N=C/c2cccc(OC)c2)cc1	2996050	PZEBLETZMORSGB-KGENOOAVSA-N	341.411	3.046	50	50	EGGA	
COc1ccc(CN(C(=O)CCl)[C@H]2CCO[C@H](C)C2)cc1C	1875381909	LBOFYOMNMGXPDT-HIFRSBDPSA-N	325.836	3.139	50	50	EGGA	
CN(Cc1cccnc1)c1cccc(Cl)c1CNC(=O)CCl	1875364141	FMYGVNHCKKCWMQ-UHFFFAOYSA-N	338.238	3.226	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1	207384	LGFXTVHAPCJDLD-SCLBCKFNSA-N	332.359	3.488	50	50	EGGA	
Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=S)Nc2cccc(C)c2)cc1	8690300	ZWQAAAAGSDREOQ-IAGOWNOFSA-N	339.464	3.425	50	50	EGGA	
CCOC(=O)c1cc(CC)sc1NC(=O)CCBr	2026590	XJCVUPFFXBSZME-UHFFFAOYSA-N	334.235	3.211	50	50	EGGA	
c1ccc([P+](CC2OCCO2)(c2ccccc2)c2ccccc2)cc1	95731562	DWHFIQUUUKMKNP-UHFFFAOYSA-N	349.390	3.353	50	50	EGGA	in-vitro
COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1	261357	KXTXPIHDPBDAHU-FYJGNVAPSA-N	334.375	3.378	50	50	EGGA	
O=C(N/N=C(\c1ccccc1)c1ccc([N+](=O)[O-])cc1)c1ccco1	5733004	ODMZOKCMSCVWNK-HTXNQAPBSA-N	335.319	3.370	50	50	EGGA	
CCC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(OC)cc2)cc1	13111564	ASJYKIRSFVJRHQ-BKUYFWCQSA-N	339.395	3.198	50	50	EGGA	
O=C(N/N=C/C(Br)=C/c1ccccc1)c1cccnc1	436439	TVSMUAJOTDYHDE-MCVIOFPKSA-N	330.185	3.233	50	50	EGGA	
O=C(Cc1cccc2ccccc12)NNC(=S)Nc1ccccc1	124860	XRSNDUPLOIMYGH-UHFFFAOYSA-N	335.432	3.400	50	50	EGGA	
Cc1ccccc1OCC(=O)N/N=C/C=C/c1cccc([N+](=O)[O-])c1	2819909	IHYNUQNBISLGEG-CEGJKDKLSA-N	339.351	3.097	50	50	EGGA	
Cc1c(Cl)cccc1NC(=O)C(=O)N/N=C/C=C/c1ccccc1	4230076	VXVVIMANQLCQMU-XCHVBMRISA-N	341.798	3.402	50	50	EGGA	
C[C@]1(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)C[C@@H]1Br	252441051	CIGRASSTVHFEOB-TWTQLAGVSA-N	345.301	3.112	50	50	EGGA	biogenic
Cc1cc(CN(Cc2cnn(C)c2)C(=O)CCl)ccc1Cl	1875374099	AJJQYHQOGZMAPM-UHFFFAOYSA-N	326.227	3.150	50	50	EGGA	
CCN(CC)c1ccc(/C=N\NC(=O)COc2ccc(C)cc2)cc1	32565783	CLIMQRICOFEWTP-STZFKDTASA-N	339.439	3.370	50	50	EGGA	
CCc1ccc(F)c(C(=O)NCCSSCCC(=O)O)c1F	1875388810	RCKFAEFJIHUBHJ-UHFFFAOYSA-N	349.424	3.113	50	50	EGGA	
O=C1O[C@](OCCBr)(c2ccccc2)c2ccccc21	2027908	CIYCUISRLYSBCC-MRXNPFEDSA-N	333.181	3.470	50	50	EGGA	
O=C(NN=C(c1ccccc1)c1ccccc1)[C@@H]1CCn2cncc2C1	151325008	GOUHZFPCWYGPGX-GOSISDBHSA-N	344.418	3.014	50	50	EGGA	
CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1	3174611	CGBJCIZQYJVTSS-DEDYPNTBSA-N	326.396	3.264	50	50	EGGA	
CCC(C(=O)N/N=C/C1CCCCC1)C(=O)N/N=C/C1CCCCC1	43761300	ZQMCZIXMKCTXAG-KVVJQUGZSA-N	348.491	3.377	50	50	EGGA	
CCSc1cccc(C(=O)NNc2nc(-c3cccnc3)no2)c1	764124725	AKSBBFCKCXEPQT-UHFFFAOYSA-N	341.396	3.001	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccoc1	207870	KVJKZPIMYZVRCS-KBXCAEBGSA-N	332.359	3.488	50	50	EGGA	
CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@@H]1c1ccccc1	28068	SUSBFZHHWMBMLU-GHTZIAJQSA-N	347.418	3.464	50	50	EGGA	
C[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	370356	CWPHXBSMSPVIAP-MBNTZHJCSA-N	346.228	3.400	50	50	EGGA	
C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccc1Cl	552550	WCUYEZQPXWQTMJ-WVISFHDSSA-N	340.814	3.476	50	50	EGGA	
Cc1cccc(C)c1CN(C(=O)CCl)[C@H](C)CC[S@@](C)=O	1875382704	MPUYZQANKVLGOK-SPLOXXLWSA-N	329.893	3.028	50	50	EGGA	
O=C(CCl)Nc1ccc(Br)cc1Br	4106477	DTKSHDQOEFCIFH-UHFFFAOYSA-N	327.403	3.389	50	50	EGGA	
O=C(N/N=C/c1ccccc1C(=O)O)c1cc2ccccc2cc1O	2101800	RFBWMDDDYWHPDU-RGVLZGJSSA-N	334.331	3.008	50	50	EGGA	
CC1CCN(C[C@H](Cc2c[nH]c3ccccc23)NC(=O)CCl)CC1	1875384188	LRFGXTHTXOVZEB-INIZCTEOSA-N	347.890	3.166	50	50	EGGA	
Cc1cccc(C)c1CN(C(=O)CCl)[C@H](C)CC[S@](C)=O	1875382705	MPUYZQANKVLGOK-SZNDQCEHSA-N	329.893	3.028	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1)c1ccncc1	15869505	AVCHFTQRWGJCLI-GIJQJNRQSA-N	345.815	3.341	50	50	EGGA	
Cc1cc2nc(/C(C#N)=C/c3ccccc3OCC(N)=O)[nH]c2cc1C	4810479	XTPNGJNXKGCDKW-OQLLNIDSSA-N	346.390	3.108	50	50	EGGA	
COC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	60272383	WAUPCPBLQVSZQD-UHFFFAOYSA-N	335.363	3.154	50	50	EGGA	
Cc1cccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)c1	4259154	CDTFWNQLCVUYBQ-FYJGNVAPSA-N	331.375	3.237	50	50	EGGA	
Cc1cccc(/C=N\NC(=O)c2ccc(Br)cc2)c1O	14010337	XDZPPNDXKTZRDX-MFOYZWKCSA-N	333.185	3.227	50	50	EGGA	
Cc1ccc(-c2cc(C(=O)NNc3ncnc4ccccc34)n[nH]2)cc1	1775985803	SESPLWFGYPOYHE-UHFFFAOYSA-N	344.378	3.085	50	50	EGGA	
COc1cc(OC)cc(C(=O)N/N=C\c2cccc(OC(C)C)c2)c1	32706114	FRVVSNVOYXWDPP-NDENLUEZSA-N	342.395	3.255	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccccc1O	13388179	SCKRTKGOKPKCMB-RGVLZGJSSA-N	338.342	3.075	50	50	EGGA	
CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)[C@H](C)Cl	1875364059	AYFJAQCNNGLHTD-NSHDSACASA-N	349.818	3.170	50	50	EGGA	
COC(=O)C1=C(C)NC(C)=C(C#N)[C@H]1c1ccc(Br)cc1	19800104	JGLHMMMAWZGTKM-OAHLLOKOSA-N	347.212	3.380	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1	81844	BPSSRMKDODSXFM-BEFAXECRSA-N	343.386	3.290	50	50	EGGA	
CN(C)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	257131	CWELFBBQAQXHSX-FYJGNVAPSA-N	333.391	3.375	50	50	EGGA	
CC(C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1	219653	WCNDHOHKJLHOHZ-RQZCQDPDSA-N	347.396	3.309	50	50	EGGA	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cc(O)ccc1O	13322207	AKDPUZPIMDIWPJ-UHFFFAOYSA-N	332.359	3.280	50	50	EGGA	
CCCCc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1	4372820	ZNTJULOBWXEYEG-DEDYPNTBSA-N	326.396	3.264	50	50	EGGA	
CC(C)(C)C(=O)[C@H](Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	4831698	FKMFWSKVTINOIW-JTQLQIEISA-N	333.171	3.409	50	50	EGGA	
CCOc1cccc(/C=N\NC(=O)c2ccc(Br)o2)c1	32573491	DEANIPLPVCNAQX-SXGWCWSVSA-N	337.173	3.205	50	50	EGGA	
Cn1cccc1CC(=O)N/N=C/c1cccc(OCc2ccccc2)c1	230793	KJBMKNXBZWKKLP-PXLXIMEGSA-N	347.418	3.297	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2cccs2)cc1Br	232487	PBSVVCMLTWHJMU-OVCLIPMQSA-N	339.214	3.283	50	50	EGGA	
O=C(O)c1ccc(/C=N/NC(=O)c2ccc3ccccc3c2O)cc1	5777199	DDTHVPQPIXOYNC-RGVLZGJSSA-N	334.331	3.008	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	2566414	ADPYPDXHPGXWDP-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
CCOC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1	1706973	CCYOCUPSKJUNMD-UWVGGRQHSA-N	336.023	3.449	50	50	EGGA	biogenic,in-vitro
Cc1nn(C)c(C(=O)N/N=C/c2cccc3ccccc23)c1Cl	371689	CMEOXBHEQBRSAF-VXLYETTFSA-N	326.787	3.299	50	50	EGGA	
CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccnc1	5059698	ABRFOGTTZHADPY-WJDWOHSUSA-N	344.374	3.404	50	50	EGGA	
O=C(O)CCSSCCNC(=O)c1scc2c1CCCC2	1875388720	NRSHXDLLYQCNIR-UHFFFAOYSA-N	345.511	3.213	50	50	EGGA	
COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Br	220385	TYTPGXQYSGTDSW-WOJGMQOQSA-N	347.212	3.151	50	50	EGGA	
CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(Cl)s2)cc1	2853972	SSAYFJOFPKGLHQ-UHFFFAOYSA-N	337.788	3.071	50	50	EGGA	
O=C(Nc1ccc(F)cc1F)c1cc2ncc(CCCl)cn2n1	374105	QBFGOXMRAZAMOV-UHFFFAOYSA-N	336.729	3.041	50	50	EGGA	
CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1	4372759	VKXCAEPSAQECGI-XSFVSMFZSA-N	326.396	3.395	50	50	EGGA	
Cc1cc(I)cc(NC(=O)[C@@H](F)Cl)c1	2325820702	KJKQWSIWMGJGIW-MRVPVSSYSA-N	327.524	3.073	50	50	EGGA	
Cc1ccccc1NCC(=O)N/N=C\c1ccc(Br)cc1	32606299	MOJBFYFVBYFALX-GRSHGNNSSA-N	346.228	3.320	50	50	EGGA	
Cc1ccccc1NC(=S)NNC(=O)CSCc1ccccc1	6391636	MIGHHWBJLCZBLB-UHFFFAOYSA-N	345.493	3.246	50	50	EGGA	
O=C(Cc1cccs1)N/N=C/c1ccc(Br)s1	232232	BFUZMZHOGIDNIU-NTUHNPAUSA-N	329.244	3.265	50	50	EGGA	
Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)c1ccc(Cl)cc1	6556440	YDJSGOYNPFOBAG-UHFFFAOYSA-N	348.189	3.388	50	50	EGGA	
O=C(N/N=C/C(Cl)=C/c1ccccc1)c1n[nH]c2c1CCCC2	12684572	LTRKIYVLKKRAIK-ZTPOPNGFSA-N	328.803	3.284	50	50	EGGA	
C[C@H](Cl)C(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1	1875364933	YIMRBLXFXABSFP-AAEUAGOBSA-N	334.769	3.062	50	50	EGGA	
O=C(N/N=C/c1ccc(C(F)(F)F)o1)c1ccc(O)c(Cl)c1	2325824362	ZVNCZAVYQBMBON-NGYBGAFCSA-N	332.665	3.421	50	50	EGGA	
C=CCOc1ccccc1/C=N\NC(=O)COc1ccc(CC)cc1	4748528	HHJIUMWJLJWCBR-STZFKDTASA-N	338.407	3.343	50	50	EGGA	
N#C/C(=C/c1ccco1)C(=O)N1CC[C@H](COCc2ccccc2)C1	221792269	CXIYGALFKIOEGR-PBXDPIQXSA-N	336.391	3.252	50	50	EGGA	
CSc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@H](C)C3)cc1	241995	SWDVWDHKAKGAFQ-MGPLVRAMSA-N	326.421	3.469	50	50	EGGA	
Cc1cc(I)cc(NC(=O)[C@H](F)Cl)c1	2325820703	KJKQWSIWMGJGIW-QMMMGPOBSA-N	327.524	3.073	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1F)c1cccs1	232491	BCOPCMQDHGVPEA-VIZOYTHASA-N	327.178	3.414	50	50	EGGA	
CC(=O)Nc1ccc(/C=C(\C#N)S(=O)(=O)c2cccs2)cc1	4543049	ZOIAIKIXPDLTNS-NTEUORMPSA-N	332.406	3.045	50	50	EGGA	
Cc1nc2ccccn2c1C(=O)N/N=C/c1c(O)ccc2ccccc12	446063	XITDYQNUMJELFF-CIAFOILYSA-N	344.374	3.265	50	50	EGGA	
C=C[C@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	169836846	VMORQSFDNWBFDD-GOSISDBHSA-N	340.539	3.358	50	50	EGGA	
COc1cccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	292767	GCBIUMZYSRJHID-AEFFLSMTSA-N	330.391	3.289	50	50	EGGA	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OC)cc2)cc1OC	32573599	JENGJSUQBFXTNG-MOSHPQCFSA-N	342.395	3.257	50	50	EGGA	
CCc1ccccc1[C@@H](CNC(=O)CCl)NC(=O)OC(C)(C)C	1875377794	NRZFGOSOROJYAH-CQSZACIVSA-N	340.851	3.170	50	50	EGGA	
C[C@H](Oc1ccccc1Cl)C(=O)N/N=C1\CCOc2ccccc21	35653590	ZQQKNVFRPZPULX-PQXWDWFGSA-N	344.798	3.410	50	50	EGGA	
C[C@]1(CBr)[C@@H]2CC[C@]1(CBr)[C@](C)(O)C2	216514070	CUZDZUKDCNAKGY-LMLFDSFASA-N	326.072	3.334	50	50	EGGA	
O=C(CSc1ncccn1)N/N=C/c1ccc(Cl)cc1Cl	36533	MIHKSQQQYBKAFO-CNHKJKLMSA-N	341.223	3.026	50	50	EGGA	
CC1(C)OB(c2ccc(OCCCBr)cc2)OC1(C)C	169746549	YSXHRXGAAAOXSO-UHFFFAOYSA-N	341.054	3.150	50	50	EGGA	in-vitro
C[C@H](Cl)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1	1875364768	SYRZCDPTPLMZJF-ZDUSSCGKSA-N	331.799	3.287	50	50	EGGA	
CCCCC(=O)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1	33933615	QBSFCMOAVPSRQT-AQTBWJFISA-N	332.404	3.225	50	50	EGGA	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N1CCOCC1	351666	FCALUMRONOOSMX-GHRIWEEISA-N	334.375	3.245	50	50	EGGA	
Cc1ccc(CNC(=O)c2ccc(-c3noc(CCl)n3)cc2)o1	34924946	MQOOQOXBXMRQQA-UHFFFAOYSA-N	331.759	3.307	50	50	EGGA	
O=C(CCn1cnc2ccccc21)N/N=C/c1c[nH]c2ccccc12	181292	AFYPDMSXAPSQHE-WSDLNYQXSA-N	331.379	3.058	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(O)cc3)[nH]n2)cc1	5050945	QXZFJTXAYRJYFQ-FYJGNVAPSA-N	348.406	3.499	50	50	EGGA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=O	253498875	AIMQMSBWBNRJGW-VIPMJKMDSA-N	347.503	3.414	50	50	EGGA	biogenic
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1cccc(Cl)c1	186290	HIRCDLYDXWGOHT-GIJQJNRQSA-N	344.827	3.459	50	50	EGGA	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21	292292	BXFMLIHVGPSYHS-MRXNPFEDSA-N	328.755	3.272	50	50	EGGA	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(Cl)c1	4750680	RPTOAEYXULGJPP-UHFFFAOYSA-N	332.831	3.317	50	50	EGGA	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccsc2)cc1OC	6209662	VCXINGXHGYLVMJ-OQLLNIDSSA-N	342.420	3.031	50	50	EGGA	
N#C/C(=C/c1cc(Br)cs1)C(=O)NCc1cccnc1	17072338	PGTHPHFOIQKLFN-WCIBSUBMSA-N	348.225	3.129	50	50	EGGA	
Cc1cc(C(=O)NNC(=O)c2ccc3cc[nH]c3c2)c2ccccc2n1	918691977	MYSIDJSZNAKGPN-UHFFFAOYSA-N	344.374	3.099	50	50	EGGA	
COc1ccc(Cl)c(NNC(=O)/C=C/c2ccc3c(c2)CCO3)c1	1875264721	ZUQUGSSOJOVZGA-XVNBXDOJSA-N	344.798	3.440	50	50	EGGA	
O=C(NNC(=O)[C@@H]1[C@H]2CCCC[C@H]21)Nc1cccc(C(F)(F)F)c1	217441107	REVQHYWESAEDKU-ITGUQSILSA-N	341.333	3.294	50	50	EGGA	
O=C(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Cl	95681923	NGSYNEZFBAPQFK-UHFFFAOYSA-N	326.954	3.058	50	50	EGGA	in-vitro
Cc1cc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)c(C)s1	5126591	PXMMQYZJYIFNOG-AWEZNQCLSA-N	349.419	3.368	50	50	EGGA	
O=C(NNC(=S)NCc1ccccc1)c1csc2ccccc12	374946	HKOYYUQXXYFUCQ-UHFFFAOYSA-N	341.461	3.210	50	50	EGGA	
C[C@@H](Cl)C(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1	1875363512	GLIMQVZSRHOLKU-PWSUYJOCSA-N	327.762	3.306	50	50	EGGA	
O=C(COc1ccc(Br)cc1)NN=C1CCCCC1	491695	LEQCYYYEQPVXGR-UHFFFAOYSA-N	325.206	3.264	50	50	EGGA	
O=C(NC(C(F)(F)F)C(F)(F)F)Oc1ccc([N+](=O)[O-])cc1	1225623	MZXYSWKJAWDAOI-UHFFFAOYSA-N	332.156	3.176	50	50	EGGA	biogenic
O=C(CCl)Nc1cccc(Oc2ncc(Br)cn2)c1	1319785521	FQQKVLBBBXBIND-UHFFFAOYSA-N	342.580	3.209	50	50	EGGA	
COc1cccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	292773	GCBIUMZYSRJHID-FUHWJXTLSA-N	330.391	3.289	50	50	EGGA	
C[C@@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1(Cl)Cl	2103123	NLGKCIMXCCWZKC-NSHDSACASA-N	336.606	3.077	50	50	EGGA	
CCc1n[nH]c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	32511745	BNXYAZWVIZTSCD-NSHDSACASA-N	335.194	3.497	50	50	EGGA	
Cc1cccc2c1NC(=O)/C2=N\NC(=O)c1ccc(Cl)cc1Cl	5730750	TWMRJRLXVPIBOE-UHFFFAOYSA-N	348.189	3.388	50	50	EGGA	
CCc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1	4355345	WAGQYDOHDMREQQ-HYARGMPZSA-N	345.402	3.491	50	50	EGGA	
COc1cc(Cl)cc2cc(C(=O)NNc3ccccc3)c(=O)oc12	4810195	VBRAFKWPHKSQAJ-UHFFFAOYSA-N	344.754	3.212	50	50	EGGA	
O=C(CCCC[C@H]1CCSS1)N[C@@H](CO)Cc1ccccc1	179792312	IHAFXCZHJBAQLT-CVEARBPZSA-N	339.526	3.420	50	50	EGGA	
C/C=C1\C[N@@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(OC)cccc14	252462391	RYFUCGCTWTVHMS-KQPIQBPWSA-O	337.443	3.010	50	50	EGGA	biogenic
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OC)c1	445329	SFAOOJUABFAIAH-UKTHLTGXSA-N	326.327	3.389	50	50	EGGA	
O=C(O)Cc1ccc(NC(=O)C[C@@H](Cl)SCCCl)cc1	2028245	XJOVNZGEGQFWGO-NSHDSACASA-N	336.240	3.179	50	50	EGGA	
Cc1cccc(NCC(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)c1	2941871	PDVFOGFTGBRXPH-YWYWFQEUSA-N	338.367	3.131	50	50	EGGA	
C[C@H]1CCCC/C1=N/NC(=O)CCC(=O)N/N=C1/CCCC[C@H]1C	39336567	SKSLOZQSOUWIGB-WLUFFHHOSA-N	334.464	3.131	50	50	EGGA	
CCOc1ccc(C(=O)N/N=C(/C)c2ccc(OC)cc2OC)cc1	250711	KPCGNLMQZQFOQP-MOSHPQCFSA-N	342.395	3.257	50	50	EGGA	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccco2)cc1	434698	NNXJNBYACNXCRW-KRWDZBQOSA-N	332.363	3.300	50	50	EGGA	
CCCSC1=C(C#N)[C@H](c2cc(OC)ccc2OC)CC(=O)N1	9110672	FOLHNTDIDJAMGK-LBPRGKRZSA-N	332.425	3.186	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)CCc2ccccc2)c(OC)c1	4602480	WPQALEXYLDOMOC-XSFVSMFZSA-N	326.396	3.177	50	50	EGGA	
COc1ccc(C(=O)N[C@@H](N=C=S)C(Cl)(Cl)Cl)cc1	3123266	PQXDIGXAZZOXPJ-SNVBAGLBSA-N	339.631	3.224	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1F)c1ccccc1O	440232	OJJMEHLJJIQUIX-CAOOACKPSA-N	337.148	3.058	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(OC)cc3)[nH]n2)cc1	1247945	SKBWZXJFHSCHGG-FYJGNVAPSA-N	348.406	3.412	50	50	EGGA	
COc1ccccc1-c1cc(C(=O)N/N=C(\C)c2ccccc2)[nH]n1	5402881	WEOOOBOPRSPDIQ-DEDYPNTBSA-N	334.379	3.239	50	50	EGGA	
COc1ccc(CN(C(=O)CCl)[C@@H]2CCO[C@H](C)C2)cc1C	1875381910	LBOFYOMNMGXPDT-UKRRQHHQSA-N	325.836	3.139	50	50	EGGA	
CC(C)[C@H](Br)C(=O)OCCN(C)Cc1ccccc1	3097878	VPAYHXIDSCAVDL-AWEZNQCLSA-N	328.250	3.081	50	50	EGGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccs1	102293906	VRMABTZNVSGUFE-CPNJWEJPSA-N	337.489	3.455	50	50	EGGA	
CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CCl	44126961	ABQMUAVLBFFIGS-QWHCGFSZSA-N	335.778	3.000	50	50	EGGA	
O=C(N/N=C\c1ccc(Cl)cc1)c1cncc(Br)c1	32666332	BJWTUTHTTYKXSR-FMQZQXMHSA-N	338.592	3.261	50	50	EGGA	
O=C(NNc1ccccc1)c1cccc2c1C(=O)c1ccccc1C2=O	175293899	UQAAXJOYERZVJT-UHFFFAOYSA-N	342.354	3.219	50	50	EGGA	
C[C@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@@]2(C)/C(=C(/O)C=O)CC[C@H]12	257355742	CLFSGWWVUVITNE-BIBZLWHASA-N	342.435	3.276	50	50	EGGA	
C=C[Si]1(C)O[Si](C)(C=C)O[Si](C)(C=C)O[Si](C)(C=C)O1	169746984	VMAWODUEPLAHOE-UHFFFAOYSA-N	344.664	3.255	50	50	EGGA	in-vitro
COc1ccc(CN(C(=O)CCl)[C@@H]2CCO[C@@H](C)C2)cc1C	1875381908	LBOFYOMNMGXPDT-DZGCQCFKSA-N	325.836	3.139	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C(C)C)cc1	38781	OXVBQVHAMXGHJW-KRWDZBQOSA-N	326.396	3.455	50	50	EGGA	
O=C(NNC(=S)NC1CCCCC1)c1csc2c1CCCC2	373726	FGPZXASURGOKGE-UHFFFAOYSA-N	337.514	3.069	50	50	EGGA	
Cc1noc2c1[C@H](c1cc(Br)ccc1F)C(C#N)=C(N)N2	204879	FKMWDDIPRLTRKD-GFCCVEGCSA-N	349.163	3.136	50	50	EGGA	
CC(C)(CCl)C(=O)Nc1ccccc1I	2023997	OQHWSJMNKQXWFM-UHFFFAOYSA-N	337.588	3.495	50	50	EGGA	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1	13882187	IMKLMPHZXFMVBJ-RGVLZGJSSA-N	329.787	3.452	50	50	EGGA	
N#C/C(=C/c1cccnc1)C(=O)Nc1cccc(Br)c1	5074173	BWSMYRWYRWISKT-GHXNOFRVSA-N	328.169	3.390	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1	293517	ZJCJBWLHIYPAND-OAHLLOKOSA-N	344.436	3.443	50	50	EGGA	
O=C(COc1ccccc1)NNC(=O)c1ccc(-c2ccccc2)cc1	51004	IMADPTHJRNEFNV-UHFFFAOYSA-N	346.386	3.194	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccoc1	207864	KVJKZPIMYZVRCS-RDTXWAMCSA-N	332.359	3.488	50	50	EGGA	
O=C(Cl)COc1ccc(Br)cc1Br	26470241	ABJOJUXBOIRTBS-UHFFFAOYSA-N	328.387	3.356	50	50	EGGA	
O=C(O)CCSSCCNC(=O)[C@@H](CC(F)F)C1CCC1	1875388869	SZTRVDHTRISQKQ-JTQLQIEISA-N	341.445	3.030	50	50	EGGA	
COc1ccccc1/C=C/C=N\NC(=O)c1cc(C(C)(C)C)n[nH]1	4135827	GWKWYKBPWZNGQH-JLIDKRJHSA-N	326.400	3.145	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1	9046581	XFFWHWDUDDYZHK-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
COc1cccc(NCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c1	1875390465	XWWBVDXSCXQGJH-RMSIOKQQSA-N	327.428	3.035	50	50	EGGA	
COC(=O)[C@H](Br)Cc1ccc(OC(F)(F)F)cc1	4268726	DGQGOJSRNVNZMF-SECBINFHSA-N	327.096	3.064	50	50	EGGA	
Cc1ccc([C@H]2[C@@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	88374	WGMBQYIBNHRLRP-SJORKVTESA-N	332.432	3.152	50	50	EGGA	
CC[C@H](Br)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1	40074	JSTSRHVJJDTSLL-VIFPVBQESA-N	340.626	3.159	50	50	EGGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccccc1[N+](=O)[O-]	238161	CBZZFAQFTCCRJB-DEDYPNTBSA-N	333.347	3.441	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)s1	55999	NLWRJKXKBQUMFI-RQZCQDPDSA-N	344.465	3.186	50	50	EGGA	
C[C@H](Cl)C(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1	1875377465	FCQJVFTXVVVZBV-NSHDSACASA-N	326.227	3.230	50	50	EGGA	
COc1ccccc1S(=O)(=O)C[C@H](SC#N)c1ccccc1	81549	XJHQLRXQLZDXKD-HNNXBMFYSA-N	333.434	3.424	50	50	EGGA	
Cc1ccccc1NCC(=O)N/N=C\c1c(O)ccc2ccccc12	55425607	YWPNBNMEGRRCBO-UUYOSTAYSA-N	333.391	3.416	50	50	EGGA	
[C-]#[N+][C@@H](c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	95686569	BBHGJASHMFZDSX-QGZVFWFLSA-N	331.393	3.404	50	50	EGGA	
O=C(N/N=C/c1ccoc1)c1cccc(OC(F)(F)C(F)F)c1	370863	PRYKVHQZOYFSQW-FBCYGCLPSA-N	330.237	3.280	50	50	EGGA	
C[C@@H]1CC/C(=N\NC(=O)c2nnc(O)c3ccccc23)c2ccccc21	1875252335	YDBYZGFBKLWZKV-SCGHJSMSSA-N	346.390	3.367	50	50	EGGA	
O=C(CCl)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1	1875375082	PYBHBLYWIJCVMP-ZWKOTPCHSA-N	328.843	3.010	50	50	EGGA	
COc1cccc(NCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c1	1875390464	XWWBVDXSCXQGJH-QJBBPVPUSA-N	327.428	3.035	50	50	EGGA	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1Cl	186345	GSVNXRCFIMGPQS-GIJQJNRQSA-N	344.827	3.459	50	50	EGGA	
CCOc1ccccc1/C=N/NC(=O)COc1ccccc1Cl	94411	RULUOSGEJSHGHT-YBFXNURJSA-N	332.787	3.268	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2C)C(C#N)=C(N)O1	4304173	FLLAZDGABPHNDD-MRXNPFEDSA-N	326.396	3.418	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1	4705514	JNBNWHLWHRMREC-XDHOZWIPSA-N	349.350	3.139	50	50	EGGA	
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2	17067967	YOFJIQRMNMTOTH-KPKJPENVSA-N	331.331	3.442	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)ccc1[N+](=O)[O-]	207956	IQEOCHUAQYQYOU-AWEZNQCLSA-N	345.742	3.063	50	50	EGGA	
CCc1ccccc1NC(=O)NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4793795	YENZHDKILHBEAP-UHFFFAOYSA-N	345.315	3.214	50	50	EGGA	
O=C(Cn1cnc2ccccc21)N/N=C/c1cccc2ccccc12	228777	JLKNACLMURKZOA-WSDLNYQXSA-N	328.375	3.340	50	50	EGGA	
Cc1cc(OC(F)F)c(C(=O)N2CCSSCC2)s1	685939774	OPUVHXKWEUXYKN-UHFFFAOYSA-N	325.427	3.495	50	50	EGGA	
O=C(NNC1=Nc2ccccc2CC1)c1ccc(Br)cc1	5517463	RDLPMQXOURDQKH-UHFFFAOYSA-N	344.212	3.360	50	50	EGGA	
N#C/C(=C\Nc1cccc(Cl)c1)C(=O)NC(=O)c1ccccc1	334730	FWESZIGLTHHDOG-ACCUITESSA-N	325.755	3.116	50	50	EGGA	
C/C(=N\NC(=O)NC1CCCC1)c1sc(-c2cccnc2)nc1C	216977794	IMWXYIFRXWULDM-CIAFOILYSA-N	343.456	3.479	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2ccc(Br)cc2O)c(C)o1	6796567	JANGWSALRJYTNM-FRKPEAEDSA-N	337.173	3.128	50	50	EGGA	
O=C1C[C@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CO1	100854978	DGLKMHQNXWPCEO-NRFANRHFSA-N	347.374	3.296	50	50	EGGA	
O=C(N/N=C\c1c(F)cccc1Cl)c1ccc(Cn2cccn2)o1	17072186	KYOYVSXGIHEXDC-OCKHKDLRSA-N	346.749	3.081	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1	55039	DVFNILOIQNVJEU-AWEZNQCLSA-N	345.196	3.264	50	50	EGGA	
O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccncc1	181654	IDCUQOSAITXTLZ-HZHRSRAPSA-N	346.434	3.456	50	50	EGGA	
C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccccc1	229776	QKLIKYTUJFDXLZ-MOSHPQCFSA-N	338.436	3.206	50	50	EGGA	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	2953127	NMCROJBHTSAISB-FYJGNVAPSA-N	337.423	3.381	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1cccc(Cl)c1Cl	31841381	WOBNSUSLTKNXGK-LSCVHKIXSA-N	339.226	3.416	50	50	EGGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CCCC=C12	47853	QVBWMJUFKQWFSF-RDJZCZTQSA-N	345.362	3.188	50	50	EGGA	
Cc1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)cc1	32614481	UTUCBXRLDVSTBZ-CXFFPLRNSA-N	346.386	3.438	50	50	EGGA	
COc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1Cl	431453	AKRJBUJVPRPTMI-VXLYETTFSA-N	332.787	3.186	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1[N+](=O)[O-]	330089	BAVLYSBNEQORIY-HNNXBMFYSA-N	339.351	3.046	50	50	EGGA	
O=C(NNC(=O)c1sccc1-n1cccc1)c1ccc(Cl)cc1	5778047	MSZJCXPAGPQDNI-UHFFFAOYSA-N	345.811	3.267	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1	36199	VEQGLLBDKJRYDE-OAHLLOKOSA-N	339.351	3.046	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@H](c1ccc(C(F)(F)F)cc1)C(C#N)=C(N)O2	63017	GGZUQQIDZPPTDP-CYBMUJFWSA-N	348.280	3.185	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccccc1	1422110	SBUUBQBLDUKLQY-HNNXBMFYSA-N	332.384	3.480	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2cccc(OCc3ccccc3)c2)[nH]n1	43286	ZLULQVNNVWUREM-UDWIEESQSA-N	334.379	3.061	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)cc(C)cc1C	42438	RTNFCHHKFWFQKW-QGZVFWFLSA-N	326.396	3.257	50	50	EGGA	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1	5817650	YOXXEKRBNKIIFV-AWEZNQCLSA-N	338.411	3.324	50	50	EGGA	
COC(=O)[C@H](Br)c1ncc(C(F)(F)F)cc1Cl	169806050	ZRZGEXBOQBOEGL-ZCFIWIBFSA-N	332.503	3.363	50	50	EGGA	
CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@@H](C)Cl	1875380145	GKVKZQRWEGWIOM-LXZKKBNFSA-N	337.895	3.076	50	50	EGGA	
COC(=O)c1ccc(/C=N/NC(=O)c2csc3c2CCCC3)cc1	355751	BFGCBWCNLIUFKA-VXLYETTFSA-N	342.420	3.177	50	50	EGGA	
O=C(NN=C1CCCCCCC1)c1ccc(CN2CCOCC2)cc1	19770506	GWTQOVPVUWJTBM-UHFFFAOYSA-N	343.471	3.349	50	50	EGGA	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1	2576225	FMXLQQKYQJRTRT-LICLKQGHSA-N	333.185	3.222	50	50	EGGA	
CCOc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)C)cc1	267266	HZPXHWLYGVPGKK-QGZVFWFLSA-N	342.395	3.119	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc([N+](=O)[O-])cc1	5029943	XCEGPGLWOIRFDY-XDHOZWIPSA-N	349.350	3.139	50	50	EGGA	
Cc1cc(C)nc(SCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)n1	1875390376	PXNMNFFFQGHMPH-QBBJAHKUSA-N	344.484	3.114	50	50	EGGA	
O=C(CCl)N(Cc1ccccc1)Cc1nc(O)c2sccc2n1	1875364142	FPNLMANOMYIELX-UHFFFAOYSA-N	347.827	3.165	50	50	EGGA	
O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccccc2Cl)n[nH]1	232787	JJLMEXLZVBTOGI-VXLYETTFSA-N	340.770	3.200	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O1	77675	RNWNVIURAGIWKU-OAHLLOKOSA-N	330.359	3.249	50	50	EGGA	
O=C(N/N=C(/C=N/O)c1ccccc1)c1cccc(Br)c1	100469538	ADHPRXQTEYDCTN-CEKGWZEMSA-N	346.184	3.043	50	50	EGGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O)cc2O)cc1	4229882	JUEMBHMPXIUKAD-CIAFOILYSA-N	349.390	3.269	50	50	EGGA	
CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccn2)[nH]n1	4953963	IQBRWCUQZQWVTK-FYJGNVAPSA-N	349.394	3.024	50	50	EGGA	
CCCCOc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1	8682464	HRJKIETVGTXDQL-UHFFFAOYSA-N	349.500	3.307	50	50	EGGA	
Cc1ccsc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	1427253	DGTRLICBGMBPCC-CQSZACIVSA-N	349.415	3.127	50	50	EGGA	
Cc1cc(C)cc(O[C@@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1	93927	PBMPMCKIGYVELX-REIAIGDLSA-N	339.439	3.287	50	50	EGGA	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2	38756	PRYBIJAJECYWEP-GOSISDBHSA-N	328.375	3.399	50	50	EGGA	
O=C(CCc1ccccc1)NNC(=O)c1ccc(Cl)cc1Cl	143322	BLMBXWAXYCNJSJ-UHFFFAOYSA-N	337.206	3.387	50	50	EGGA	
Cn1cccc1CC(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	230765	CZSDBVFTWJNMMD-PXLXIMEGSA-N	347.418	3.297	50	50	EGGA	
O=C(OCc1ccccc1)[C@@H](Br)CCBr	4521375	XQJJSEGHTSUQBZ-JTQLQIEISA-N	336.023	3.278	50	50	EGGA	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCC#N	13893424	JPBHREGCRQQXTI-WJDWOHSUSA-N	347.374	3.452	50	50	EGGA	
O=C1C=C(NNC(=O)c2ccc(Cl)cc2)C[C@H](c2ccco2)C1	441147	LGLZXCYHOQESPA-LBPRGKRZSA-N	330.771	3.198	50	50	EGGA	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2	3898756	KJDUWQXPUGEFSY-YBFXNURJSA-N	342.399	3.197	50	50	EGGA	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(O)cc1	242679	RTHIYCRCEMRVIK-QGMBQPNBSA-N	339.178	3.228	50	50	EGGA	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C(=O)O	5024283	JAYHEALXQAMLBQ-ZROIWOOFSA-N	336.347	3.248	50	50	EGGA	
O=C(N/N=C/C=C/c1ccccc1)c1cccc(N2CCCC2=O)c1	2996058	JACZASUELLOQBX-OGGKTOENSA-N	333.391	3.242	50	50	EGGA	
CCOc1ccccc1/C=N/NC(=O)COc1ccc(Cl)cc1	58821	DYKVBMSOFIXWPD-YBFXNURJSA-N	332.787	3.268	50	50	EGGA	
C=CCC1(NC(=O)CCl)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C	1875375287	XJNFNEWGADYQAH-MPYYAJLASA-N	342.867	3.218	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(Br)c1	203842	VJWKHMRCIPDUDC-OAHLLOKOSA-N	343.180	3.373	50	50	EGGA	
C[C@@H](Cc1ccccc1)N/C(N)=C(C#N)/C=C1\Nc2ccccc2C1=O	55464710	KSGHTUPMCHOWEM-JFTALCGZSA-N	344.418	3.093	50	50	EGGA	
O=C(CCl)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1	1336909416	AVFFFBMELUSNCZ-HNNXBMFYSA-N	331.778	3.272	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1	293283	YKTBLRVVCPWMRQ-CQSZACIVSA-N	332.787	3.375	50	50	EGGA	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(OC)c1OC	260363	BNWBWFSIYZNRSX-VXLYETTFSA-N	348.786	3.130	50	50	EGGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1453500	KYPPPSGQSSMKQF-VDCVXVNISA-N	347.758	3.166	50	50	EGGA	
Cc1cccc(NC(=O)NNC(=O)c2ccc(Br)cc2)c1	371137	CEBRBNZURUIGKX-UHFFFAOYSA-N	348.200	3.224	50	50	EGGA	
COc1ccccc1C(=O)NNC(=O)Nc1ccc(Cl)cc1C	2142462	IZHXHCUAJLTHMC-UHFFFAOYSA-N	333.775	3.124	50	50	EGGA	
CCOC(=O)[C@]1(C#N)C(=O)C(C#N)=C2CCCC[C@@H]2[C@@H]1c1ccccc1	217479135	JPWFTLNBFYFNII-MDKPJZGXSA-N	348.402	3.436	50	50	EGGA	
Cc1cccc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)c1	4209691	OMFUNWSKNNXTQC-YDZHTSKRSA-N	345.402	3.028	50	50	EGGA	
C[C@H](Cl)C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	1875364314	LJEHEWYJJJRKHP-JQWIXIFHSA-N	337.782	3.209	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	59550	DMUWREYMRIIJNX-CPNJWEJPSA-N	340.383	3.205	50	50	EGGA	
O=C(NNC(=O)[C@H]1[C@H]2CCCC[C@H]21)Nc1cccc(C(F)(F)F)c1	245327790	REVQHYWESAEDKU-CLLJXQQHSA-N	341.333	3.294	50	50	EGGA	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2	197235	AXTXEHITDLDTIP-SFHVURJKSA-N	344.374	3.105	50	50	EGGA	
Cc1ccc(CNC(=S)NNC(=O)c2csc(C(C)C)c2)cc1	17072299	PNDOBFMZEJOBCM-UHFFFAOYSA-N	347.509	3.489	50	50	EGGA	
C/C(=N/NC(=O)c1cn(-c2cccc(C)n2)cn1)c1ccc(C)cc1	12954276	FKAPDOSZPPISFV-JCMHNJIXSA-N	333.395	3.038	50	50	EGGA	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1CC(C)C	90056	TZKSDWLTMSKQQT-AWEZNQCLSA-N	326.396	3.347	50	50	EGGA	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	54858	XPYLAQWWVONFRH-UHFFFAOYSA-N	339.178	3.077	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(Br)c1	203839	VJWKHMRCIPDUDC-HNNXBMFYSA-N	343.180	3.373	50	50	EGGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1	438196	GALDADQCBIJIDR-MKFNJMOCSA-N	332.787	3.266	50	50	EGGA	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NC[C@@H]1CCCO1	265681	KBTMNDJGNJJXSM-VKUYVZBCSA-N	325.195	3.196	50	50	EGGA	
CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)[nH]n1	4094733	DFDYNSXQKPIHBI-FYJGNVAPSA-N	349.394	3.024	50	50	EGGA	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)cc1	5817658	YOXXEKRBNKIIFV-CQSZACIVSA-N	338.411	3.324	50	50	EGGA	
CCCCNC(=O)NNC(=O)c1sc2cc(F)ccc2c1Cl	2090713	RUXIXFXQCLYRON-UHFFFAOYSA-N	343.811	3.438	50	50	EGGA	
CCCc1ccc(OCC(=O)N/N=C\c2cccc(OC)c2)cc1	32650007	GREUPWQFWFDLGU-MOSHPQCFSA-N	326.396	3.177	50	50	EGGA	
CC(/C=N/NC(=O)c1cc(-c2cccn2C)n[nH]1)=C\c1ccccc1	4746300	WXCPVGSUCJEGEE-NKSMKPMTSA-N	333.395	3.234	50	50	EGGA	
Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2ccc(F)cc2)cc1	374500	PAJGZHLUKNFMGE-CVEARBPZSA-N	343.427	3.255	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	55746	LVFWIUBMGMTRED-DEDYPNTBSA-N	334.379	3.239	50	50	EGGA	
CC(=O)O[C@H](C(=O)C(C#N)=C1Nc2ccccc2N1)c1ccccc1	5668850	VDWUQZGGHUIJRN-SFHVURJKSA-N	333.347	3.133	50	50	EGGA	
COc1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c1OC	31858830	YQPVYAAWSFLBED-WJDWOHSUSA-N	343.404	3.351	50	50	EGGA	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccccc1	1426847	PEWLWWXOTWHDNM-ZDUSSCGKSA-N	326.377	3.061	50	50	EGGA	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1	17071967	VLALPGGKAKEWHT-UONOGXRCSA-N	345.349	3.230	50	50	EGGA	
CC(C)[C@@H](Br)C(=O)OCCN(C)Cc1ccccc1	3097879	VPAYHXIDSCAVDL-CQSZACIVSA-N	328.250	3.081	50	50	EGGA	
COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccnn3C)sc2c1	13331858	OQNGOBBDKPLZKG-CAOOACKPSA-N	348.815	3.061	50	50	EGGA	
Cc1ccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1	15933640	PNGAQGNUTBKOLU-UHFFFAOYSA-N	349.390	3.380	50	50	EGGA	
CCOC(=O)[C@H]1CC2[C@H]3CC=CC[C@H]2C3C[C@@H](Br)C1=O	257356348	HOAXNDJNGKTXOR-QDBBEMFVSA-N	341.245	3.121	50	50	EGGA	
O=C(N/N=C/c1cc2c([nH]1)CCCC2)c1cc(-c2ccccc2)n[nH]1	435380	QSTHJBMUTSZGQX-UDWIEESQSA-N	333.395	3.048	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)COc1cccc2ccccc12	482661	YFQMRXJGMGIAAK-FYJGNVAPSA-N	334.375	3.378	50	50	EGGA	
C/C(=N\NC(=O)c1cccc(Cl)c1)C1C(=O)c2ccccc2C1=O	100004277	DRCBFIKLMBTUCD-KEBDBYFISA-N	340.766	3.141	50	50	EGGA	
Cc1cccc([N+](=O)[O-])c1C(=O)OC(=O)c1c(C)cccc1[N+](=O)[O-]	100012377	YEKPNMQQSPHKBP-UHFFFAOYSA-N	344.279	3.117	50	50	EGGA	in-vitro
O=C(Cl)c1cc(Br)ccc1I	5943795	IAEYMICEYDVOLM-UHFFFAOYSA-N	345.361	3.433	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](OCCCl)C[C@H]1[C@@H]2Cl	169697175	GCFPUWPAGCMEBN-AXMZGBSTSA-N	346.098	3.073	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1O)C1[C@@H]2CCCC[C@@H]12	100311337	HIRSECWGSKHNNL-HVWABSDWSA-N	337.217	3.041	50	50	EGGA	
C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccc(O)cc1	71775452	AGDPDNMJZSMJSU-CIAFOILYSA-N	346.390	3.035	50	50	EGGA	
O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccc(Cl)s2)n[nH]1	9320716	UCSCKZGDHNURIR-CAOOACKPSA-N	346.799	3.261	50	50	EGGA	
O=C(N/N=C/c1cccc(Br)c1)c1cccc([N+](=O)[O-])c1	433323	AZYWBPNTCZVBTO-CXUHLZMHSA-N	348.156	3.121	50	50	EGGA	
Cc1cc(C(=O)NN=Cc2ccc(-c3ccc(Cl)cc3)o2)[nH]n1	252679559	OGEFGZVUNNDSHL-UHFFFAOYSA-N	328.759	3.395	50	50	EGGA	
CC/C(=N/NC(=O)c1cccnc1)c1ccc(Br)s1	370782	YPMNDOKCGBNHNX-YBEGLDIGSA-N	338.230	3.450	50	50	EGGA	
C[C@]1(O)C[C@H]2CC[C@@]1(CBr)[C@]2(C)CBr	257355813	CUZDZUKDCNAKGY-CHWFTXMASA-N	326.072	3.334	50	50	EGGA	
O=C(NNC(=S)NC1CCCCC1)Nc1cccc(Cl)c1	3086223	UMRJOZNKZUQAST-UHFFFAOYSA-N	326.853	3.173	50	50	EGGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)[nH]n2)s1	8558624	RPRGCRXKPOYWJO-GIJQJNRQSA-N	328.372	3.350	50	50	EGGA	
Cc1ccc2cc(/C=N/NC(=O)c3snnc3C)c(Cl)nc2c1	5795835	RWYDAWHYECBNPK-REZTVBANSA-N	345.815	3.120	50	50	EGGA	
Cc1nc(N)sc1C(=O)N/N=C/c1ccc(Cl)cc1Cl	118927	OOPMIQCIGRBVKV-FZSIALSZSA-N	329.212	3.104	50	50	EGGA	
COc1cccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)c1	6812741	UZDCTUMSQLEUDW-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)OCCO1	305040	GBCYTWZXFFACMC-YBFXNURJSA-N	348.786	3.203	50	50	EGGA	
COc1cc(/C=N\NC(=O)CC#N)ccc1OC/C=C/c1ccccc1	32709465	QTRCVUTUBXIBEW-WYVZYFFYSA-N	349.390	3.151	50	50	EGGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(C(=O)O)cc1	437662	CORMJBKJHMKRGH-FYJGNVAPSA-N	332.359	3.231	50	50	EGGA	
NNC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12	2379877	TVLQRCVLQVHHQI-UHFFFAOYSA-N	342.196	3.268	50	50	EGGA	
Cc1ccc(NCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	2996088	OHLRLRNRZJUPCF-DEDYPNTBSA-N	340.383	3.246	50	50	EGGA	
CC(C)(C)[Si](OC[C@@H](O)CCl)(c1ccccc1)c1ccccc1	197282962	YXGKDONGRNVUPO-INIZCTEOSA-N	348.946	3.163	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)c2cc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1	72324	MNJYEZCBDJDYFD-YBFXNURJSA-N	349.350	3.057	50	50	EGGA	
O=C(NNC(=O)[C@H]1C[C@@H]1c1ccccc1)Nc1cccc(Cl)c1	1227557	JNHKZYCUYSFOQI-CABCVRRESA-N	329.787	3.296	50	50	EGGA	
C[C@]1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C[C@@H]1Br	864056545	DYZMQHDORMWMBE-OBJOEFQTSA-N	330.266	3.158	50	50	EGGA	
CCCSC1=C(C#N)[C@@H](c2cc(OC)ccc2OC)CC(=O)N1	9110673	FOLHNTDIDJAMGK-GFCCVEGCSA-N	332.425	3.186	50	50	EGGA	
C[C@@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1[C@](O)(c1ccccc1)[C@H]5[C@@H]42	245227687	SZCGKEUXKLALMI-IZUJFIBYSA-N	331.253	3.416	50	50	EGGA	
COc1cc(/C=N/NC(=O)CNc2cccc3ccccc23)ccc1O	60479	HUOPZTORHADHJL-WSDLNYQXSA-N	349.390	3.116	50	50	EGGA	
CC(C)(CCl)C(=O)NNc1ncc(C(F)(F)F)cc1Cl	3104461	NAVVOSNETMMSDE-UHFFFAOYSA-N	330.137	3.462	50	50	EGGA	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)OCO3)c(C(F)(F)F)c1	799751072	KEUZNLSILCAXSM-UHFFFAOYSA-N	349.268	3.063	50	50	EGGA	
C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccccc1Cl	552548	WCUYEZQPXWQTMJ-IMRMQAIZSA-N	340.814	3.476	50	50	EGGA	
O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)CCl)OCc1ccccc1	2561189	SSXSAFSLNOWRIX-INIZCTEOSA-N	349.789	3.471	50	50	EGGA	
CC(/C=C/c1ccccc1)=N\NC(=O)C(=O)Nc1cccc(Cl)c1	4793187	XEKWKWVYXICMMA-HGOWQPMWSA-N	341.798	3.484	50	50	EGGA	
COc1ccc(CN(C(=O)CCl)[C@H]2CCO[C@@H](C)C2)cc1C	1875381911	LBOFYOMNMGXPDT-ZFWWWQNUSA-N	325.836	3.139	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(Br)s1	293189	XTEDNZLRWWMLHU-ZDUSSCGKSA-N	348.225	3.311	50	50	EGGA	
N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1	204619	AFJQXPWUJJNGGO-OAHLLOKOSA-N	334.306	3.150	50	50	EGGA	
Cc1ccc2c(c1)OC/C2=N\NC(=O)[C@H](C)Oc1cccc(Cl)c1	43761323	HZBLWKJSQYUHRY-WREBDXAUSA-N	344.798	3.329	50	50	EGGA	
COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1	58495	IVKAFXBDULZGOE-MKFNJMOCSA-N	332.787	3.266	50	50	EGGA	
O=C(N/N=C/c1cc(Cl)ccc1O)c1cc(-c2ccccc2)n[nH]1	435234	CMHKQFUKWRRHQG-VXLYETTFSA-N	340.770	3.200	50	50	EGGA	
C[C@@H](Cl)C(=O)NCc1cccc(C(=O)OCc2ccccc2)c1	1875364767	SYRZCDPTPLMZJF-CYBMUJFWSA-N	331.799	3.287	50	50	EGGA	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1	182532	QWSYGAJPBLDGKG-QGZVFWFLSA-N	343.386	3.309	50	50	EGGA	
CCCCC(CCCBr)(C(=O)OCC)C(=O)OCC	1760293	VGIUQWHYFQTKRY-UHFFFAOYSA-N	337.254	3.464	50	50	EGGA	
CN(C)c1ccc(/C=N\NC(=O)Cc2cccc3c2CCCC3)cc1	43761205	LZYZQYNMNXAKEB-JCMHNJIXSA-N	335.451	3.324	50	50	EGGA	
CCOc1ccc(NCC(=O)N/N=C/c2ccc(Cl)cc2)cc1	252298	AVECDYDMZABJFY-RGVLZGJSSA-N	331.803	3.301	50	50	EGGA	
C[C@@H](Cl)C(=O)NC[C@@H](C(=O)OCc1ccccc1)c1ccccc1	1875380334	MAMPDQGRALLLEI-RHSMWYFYSA-N	345.826	3.257	50	50	EGGA	
O=C(Nc1cc([N+](=O)[O-])ccc1OC(=O)c1ccco1)c1ccco1	1464981	YEFUFKQKYGRDLF-UHFFFAOYSA-N	342.263	3.252	50	50	EGGA	
C/C(=N\NC(=O)COc1ccc2c(c1)CCCC2)c1ccc(O)cc1	43761343	GSXSNOXYIHPZFI-KGENOOAVSA-N	338.407	3.190	50	50	EGGA	
COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1O	3026731	QYCMKNITUUHRKE-WSDLNYQXSA-N	349.390	3.116	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	59911	BFILTKVBQWCVDE-CPNJWEJPSA-N	340.383	3.205	50	50	EGGA	
CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)[C@H](C)Cl	1875380146	GKVKZQRWEGWIOM-QRTARXTBSA-N	337.895	3.076	50	50	EGGA	
Cc1ccccc1SCC(=O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1	33079	SKHCHDHIKUHTDN-VCHYOVAHSA-N	343.408	3.454	50	50	EGGA	
O=C(CCCC[C@@H]1CCSS1)N[C@H](CO)Cc1ccccc1	120568143	IHAFXCZHJBAQLT-JKSUJKDBSA-N	339.526	3.420	50	50	EGGA	biogenic
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2	354872	OOZOLLWJJXVECY-QGMBQPNBSA-N	348.811	3.311	50	50	EGGA	
N#CC1=C(N)Oc2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1	204623	AFJQXPWUJJNGGO-HNNXBMFYSA-N	334.306	3.150	50	50	EGGA	
O=C(N/N=C/c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	245330	OCHUVWUPENXLCC-CXUHLZMHSA-N	348.156	3.121	50	50	EGGA	
Cc1cc(C)nc(S[C@H](C)C(=O)N/N=C/c2ccccc2Cl)n1	440236	QDBHCRPVKDLDRP-KBSHCFNASA-N	348.859	3.378	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2cc(Br)ccc2O)c(C)o1	381495	DERCDAOBUZPTJL-FRKPEAEDSA-N	337.173	3.128	50	50	EGGA	
C[C@@H](Cl)C(=O)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21	1403270	CNTWYKFJBJYCOD-QNPMFDGYSA-N	328.755	3.240	50	50	EGGA	
C/C(=N\NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	12343150	OGBAOQHRGOVRQK-WOJGMQOQSA-N	347.758	3.167	50	50	EGGA	
O=C1O[C@@](OCCBr)(c2ccccc2)c2ccccc21	2027905	CIYCUISRLYSBCC-INIZCTEOSA-N	333.181	3.470	50	50	EGGA	
CC[C@@H](Br)C(=O)Nc1ccc(Cl)c(OC)c1OC	74941513	XHPREJLZVAOINO-SSDOTTSWSA-N	336.613	3.469	50	50	EGGA	
CCOc1ccc(/C=N/NC(=O)c2cccc(F)c2)c(OCC)c1	370886	QLWONPUOEFGBNL-UDWIEESQSA-N	330.359	3.387	50	50	EGGA	
Cc1cc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)c(C)s1	5126592	PXMMQYZJYIFNOG-CQSZACIVSA-N	349.419	3.368	50	50	EGGA	
CCc1ccccc1NC(=S)NNC(=O)CCc1ccccc1	6395230	QVAUGLYHMCBXLZ-UHFFFAOYSA-N	327.453	3.199	50	50	EGGA	
O=C(CCl)N(Cc1ccnn1C1CCC1)C[C@@H]1CCCS1	1875382405	ZSNSPWVWIRWIRD-AWEZNQCLSA-N	327.881	3.071	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)n[nH]1	18241816	HGDVHJGETZQTHS-GIJQJNRQSA-N	328.759	3.395	50	50	EGGA	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]c(-c4ccccc4)nc32)c1	5988171	HKWZXMYUKUVWRG-INIZCTEOSA-N	344.374	3.303	50	50	EGGA	
CC[C@@H](C(=O)NNC(=O)Nc1cc(C)ccc1OC)c1ccccc1	2856167	VWUIBPQRYTZABV-OAHLLOKOSA-N	341.411	3.350	50	50	EGGA	
CN(C)c1ccc(/C=N\NC(=O)c2ccccc2-n2cccc2)cc1	29763957	DDHOEJNPENANJB-QNGOZBTKSA-N	332.407	3.307	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1OC	263099	NVPCNHVABARQPO-CIAFOILYSA-N	349.390	3.324	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccccc1	443775	TZHOXPGRQKCHJW-FZKQIMNGSA-N	332.359	3.488	50	50	EGGA	
CC(C)NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1	1204891	ZFFCIEHWACXXGG-UHFFFAOYSA-N	332.407	3.453	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@@H](Cl)[C@@H]1C[C@H]2OCCCl	252430706	GCFPUWPAGCMEBN-VZFHVOOUSA-N	346.098	3.073	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1	4312302	QBVPRHTZUQRWJQ-UDWIEESQSA-N	334.379	3.109	50	50	EGGA	
Cn1c2ccccc2c2cc(C(=O)NNC(=O)C(C)(C)C)sc21	1386905	OFPNXRYXLDNXOP-UHFFFAOYSA-N	329.425	3.200	50	50	EGGA	
CC(=O)c1cc(OCc2ccccc2)cc(NC(=O)CCl)c1O	230530050	LCDPIAJWSLRZSV-UHFFFAOYSA-N	333.771	3.351	50	50	EGGA	
COc1ccc(C(=O)NNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1	299085	SUSLAMIWLHFZPX-AWNIVKPZSA-N	338.407	3.293	50	50	EGGA	
O=C(N/N=C/c1cccc(F)c1)c1n[nH]c2c1CCc1ccccc1-2	6554216	FYZAGIGIPSLYAD-SRZZPIQSSA-N	334.354	3.078	50	50	EGGA	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1	4578256	VKHUHCVQVBJICY-UHFFFAOYSA-N	336.145	3.114	50	50	EGGA	
O=C(CN1CCCCCC1)N/N=C/c1cccc(C(F)(F)F)c1	4990715	RYWJWRIYQFEGMY-RGVLZGJSSA-N	327.350	3.032	50	50	EGGA	
Cc1cc(Cl)ccc1OCC(=O)N/N=C\c1ccccc1[N+](=O)[O-]	5031372	OIAJNSTXNKNBAK-NVMNQCDNSA-N	347.758	3.086	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](=O)[O-])cc1	43714	NAXHNBPBWXDTRM-HNNXBMFYSA-N	339.351	3.046	50	50	EGGA	
Cc1occc1C(=O)NNC(=S)Nc1ccccc1C(F)(F)F	8682717	XGWRGERYNMLWMC-UHFFFAOYSA-N	343.330	3.238	50	50	EGGA	
O=C(NNc1nc2ccccc2nc1C(F)(F)F)c1ccccc1	6474639	OVDUOVDGJRJMTM-UHFFFAOYSA-N	332.285	3.406	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cc(Br)cs1	240977	ZZAJVZYTQGIFTB-CYBMUJFWSA-N	348.225	3.311	50	50	EGGA	
CN(C)c1ccc(/C=N/NC(=O)c2sccc2-n2cccc2)cc1	1398739	LFMVSHKKCBLGGM-CPNJWEJPSA-N	338.436	3.369	50	50	EGGA	
CC/C(=N/NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1	349303	QKUYLENUFCSRNU-UZYVYHOESA-N	335.407	3.358	50	50	EGGA	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2ccc(F)cc2)n[nH]1	232745	PDCXGZCWJDXAHZ-SSDVNMTOSA-N	347.353	3.461	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccccc1C(F)(F)F	136837	WACCCWCGEAVNPT-AWQFTUOYSA-N	338.333	3.128	50	50	EGGA	
Fc1nc(F)c(F)c(P(c2ccccc2)c2ccccc2)c1F	100293842	VENXXTRXAJYHQM-UHFFFAOYSA-N	335.240	3.396	50	50	EGGA	
C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(Cl)cc1	5570319	ZSKMJWWUJLHMOC-IMRMQAIZSA-N	340.814	3.476	50	50	EGGA	
Cc1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1	535532	XJHSHVTUIQURKX-CIAFOILYSA-N	335.407	3.324	50	50	EGGA	
O=C(CCn1cnc2ccccc21)N/N=C/c1ccccc1Cl	544690	LGIHVOGSAMMMOI-RGVLZGJSSA-N	326.787	3.230	50	50	EGGA	
N#CC(C#N)=CNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	2380911	BGRACRLDEHUVIQ-UHFFFAOYSA-N	335.207	3.342	50	50	EGGA	
CC(C)(C)OC(=O)NC1CCC(I)CC1	79436556	QCZCZCVQESKMBB-UHFFFAOYSA-N	325.190	3.257	50	50	EGGA	
CC(C)(C)[Si](OC[C@H]1C[C@@H]1CO)(c1ccccc1)c1ccccc1	195820518	UDQZGHRUSQGZFC-QZTJIDSGSA-N	340.539	3.191	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1CO	197069479	IIITUHPEBILIQR-OLZOCXBDSA-N	331.529	3.379	50	50	EGGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)cc1	1967068	PNRFBWVUYRBHQA-MHWRWJLKSA-N	328.349	3.242	50	50	EGGA	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(N)=O	446200	FCXWFJXRNACBPJ-UVTDQMKNSA-N	332.338	3.071	50	50	EGGA	
CCC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1cc(F)ccc1F	1875298519	DDKBLIXTONUTNH-SDSFWRRZSA-N	344.365	3.263	50	50	EGGA	
C[C@@]1(O)C[C@H]2CC[C@@]1(CBr)[C@]2(C)CBr	101082048	CUZDZUKDCNAKGY-GWOFURMSSA-N	326.072	3.334	50	50	EGGA	
O=C(OCc1ccccc1)[C@H](Br)CCBr	2386902	XQJJSEGHTSUQBZ-SNVBAGLBSA-N	336.023	3.278	50	50	EGGA	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccccn1	227838	PBJDPJXLYMDISU-HYARGMPZSA-N	331.375	3.425	50	50	EGGA	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(O)cc2O)cc1	2380254	INYNKTXJSBACFO-XDHOZWIPSA-N	328.368	3.041	50	50	EGGA	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2nccs2)cc1	6628472	LDTASNOLEMTAGK-MDWZMJQESA-N	335.392	3.387	50	50	EGGA	
COc1cc(/C=N/NC(=O)OC(C)(C)C)c(Br)cc1O	6824165	CMAWCXVSRGONIX-VIZOYTHASA-N	345.193	3.022	50	50	EGGA	
COc1ccc(NNC(=O)c2oc(C)nc2C)c(C(F)(F)F)c1	408517478	JFYHKAMZIFVVAD-UHFFFAOYSA-N	329.278	3.076	50	50	EGGA	
Cc1cc(C)c2c(CC(=O)NNC(=O)c3ccc(F)cc3)coc2c1	4828637	XGQSOYRGEFLROH-UHFFFAOYSA-N	340.354	3.192	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(Br)c1	51392	RZGFDXUWXRHQDK-HNNXBMFYSA-N	342.196	3.249	50	50	EGGA	
C[C@@H](Cl)C(=O)N1CCC(c2nc(C(F)(F)F)cs2)CC1	1875366175	YCGGSDSQCMTPSI-SSDOTTSWSA-N	326.771	3.495	50	50	EGGA	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccs2)[nH]n1	8569391	LVUMBJTWDUIZTD-WOJGMQOQSA-N	340.408	3.301	50	50	EGGA	
C[C@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc(O)cc1O	234609	NAYITZBUKNMSTH-XMOVILSBSA-N	349.390	3.202	50	50	EGGA	
O=C(N/N=C/[C@@H]1C[C@H]2CC[C@H]1C2)C(O)(c1ccccc1)c1ccccc1	101633605	AVOCCHZHHHQNLQ-IOVNINHTSA-N	348.446	3.461	50	50	EGGA	
CC(C)(O[Si](C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1	169746800	GQSLZAFZAPLKEY-UHFFFAOYSA-N	335.329	3.467	50	50	EGGA	in-vitro
C/C(=N\NC(=O)COc1c(C)cc([N+](=O)[O-])cc1C)c1cccs1	289054	KXHZAIIWNVCGER-SFQUDFHCSA-N	347.396	3.192	50	50	EGGA	
Cc1ccc(NCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	2996116	ZBEGEJUUEUEJBZ-PXLXIMEGSA-N	338.455	3.403	50	50	EGGA	
COc1ccc(-c2n[nH]cc2/C=N\NC(=O)c2cc(C)cc(C)c2)cc1	17072373	ORXSVMFVCLGBGC-UUYOSTAYSA-N	348.406	3.466	50	50	EGGA	
COc1ccc(/C=N/NC(=O)CN2CCCCCCC2)c(C)c1C	293346	WWHURJRPNJRZPO-DEDYPNTBSA-N	331.460	3.028	50	50	EGGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)[nH]n2)cc1	435735	OQKNYPLUXCUHBG-YBFXNURJSA-N	349.350	3.057	50	50	EGGA	
C[C@@H](Cl)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1	1875364808	UQOJFQLAJPJNHC-VXGBXAGGSA-N	331.803	3.138	50	50	EGGA	
CCO[Si](CCP(=O)(OCC)OCC)(OCC)OCC	195763080	RGAHQVPQZZNNOV-UHFFFAOYSA-N	328.418	3.301	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2	292813	MKCAGORWQLROKQ-QGZVFWFLSA-N	330.343	3.320	50	50	EGGA	
CCc1cc(C)cc(OCCOc2ccccc2/C=N/NC(C)=O)c1	2971056	KDZDAHZNDROAFF-KGENOOAVSA-N	340.423	3.485	50	50	EGGA	
O=C(NNC(=O)c1ccccc1-n1cccc1)c1ccc(Cl)cc1	1394339	BIGIVYWFFPLHJX-UHFFFAOYSA-N	339.782	3.206	50	50	EGGA	
Nc1ccccc1C(=O)NN=c1c2ccccc2oc2ccccc12	3877767	WKMJEKAHHNDAEI-UHFFFAOYSA-N	329.359	3.414	50	50	EGGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1	2500876	KTAIXBIABKUKJT-OAHLLOKOSA-N	330.771	3.151	50	50	EGGA	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cccc(Br)c1	260145	OLBRTZVQFQYMFN-CXUHLZMHSA-N	348.156	3.121	50	50	EGGA	
C[C@@H](Cl)C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1	1875375501	CLSIPPOUZFRYPE-DYVFJYSZSA-N	342.826	3.127	50	50	EGGA	
N#CS[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	126871	SSKTWTPYUGXJNZ-HNNXBMFYSA-N	348.405	3.324	50	50	EGGA	
N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1Cl	289378	RDHNYUNLVCBMPI-AWQFTUOYSA-N	348.189	3.394	50	50	EGGA	
CC(C)(C)OC(=O)N1CCC[C@@H](CI)C1	19046077	GWYLEGFCHNTQTF-VIFPVBQESA-N	325.190	3.069	50	50	EGGA	
CC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)C(C#N)=C3C)o2)c1	13426594	KSAPMQJNASOSGT-SXGWCWSVSA-N	346.342	3.029	50	50	EGGA	
CC(=O)N/N=C/c1cc(Br)ccc1OCc1ccccc1	459658	QMDDHMSUGQPHSU-VCHYOVAHSA-N	347.212	3.498	50	50	EGGA	
Br[C@H]1CCCCC[C@H](Br)C12OCCO2	1729163	OQCIVOUQHXUSEL-IUCAKERBSA-N	328.044	3.221	50	50	EGGA	
C#CCOc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OC	4810896	WCZJLVIQOXIXIT-BOPFTXTBSA-N	333.343	3.470	50	50	EGGA	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(O)cc1)C(C#N)=C(N)O2	197243	FJZAWDVHTSZEAA-SFHVURJKSA-N	344.374	3.105	50	50	EGGA	
O=C(N/N=C/c1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	3008800	LHYYNHOKIRHVFW-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc([N+](=O)[O-])cc1	2746661	NAXHNBPBWXDTRM-OAHLLOKOSA-N	339.351	3.046	50	50	EGGA	
COc1ccc(/C=N\NC(=O)C2CCCC2)cc1Br	32578328	NDIOWVFPDFQFKN-SXGWCWSVSA-N	325.206	3.098	50	50	EGGA	
CSc1nc(N(C)NC(=O)c2ccc(F)cc2)c2ccccc2n1	1392680	UWAKWBFJAQNHDS-UHFFFAOYSA-N	342.399	3.272	50	50	EGGA	
Cn1c(SCC(=O)N/N=C/C=C/c2ccco2)nc2ccccc21	13496711	IHJRLNBTPLXJDI-SRFURKKRSA-N	340.408	3.074	50	50	EGGA	
COc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1	12383037	SKDMOKAQGFYXLV-UDWIEESQSA-N	326.396	3.348	50	50	EGGA	
CCCCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21	4528345	ZWKIPCQYKCXMMG-XDHOZWIPSA-N	329.400	3.023	50	50	EGGA	
COc1cc(C(=O)N/N=C/C=C/c2ccccc2)cc(OC)c1OC	3111488	DHSDGBBKHYEJLD-OZNFINNBSA-N	340.379	3.141	50	50	EGGA	biogenic
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccncc3)[nH]n2)cc1	9186622	VJNLPAIHFJQFMJ-FYJGNVAPSA-N	333.395	3.188	50	50	EGGA	
CN(C)c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1	799853269	OYRMEXLCPHNHHA-UHFFFAOYSA-N	348.328	3.400	50	50	EGGA	
N#C/C(=C\Nc1cccc2cccnc12)S(=O)(=O)c1ccccc1	2561721	ZRPXYMQGBXYMSQ-DTQAZKPQSA-N	335.388	3.486	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@@H]2c1coc2ccccc12	5231374	ODYBAMYTZNZTME-QGZVFWFLSA-N	333.391	3.457	50	50	EGGA	
COc1ccccc1NCC(=O)N/N=C\c1c(F)cccc1Cl	4460578	HAOKPXHEWAKPEY-UKWGHVSLSA-N	335.766	3.050	50	50	EGGA	
COC(=O)C1=C(C)NC(C)=C(C#N)[C@@H]1c1ccc(Br)cc1	407350	JGLHMMMAWZGTKM-HNNXBMFYSA-N	347.212	3.380	50	50	EGGA	
CC(C)(C)C[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccco3)c2C1	5295984	QFELJSWFNCCZHL-ZGXHQARYSA-N	328.416	3.308	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1	71010	NRNXPRPIKPTFBW-HNNXBMFYSA-N	330.359	3.251	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(F)c1	196671	GBXPIYAYBPEBIH-OAHLLOKOSA-N	334.306	3.150	50	50	EGGA	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21	292289	BXFMLIHVGPSYHS-INIZCTEOSA-N	328.755	3.272	50	50	EGGA	
O=C(N/N=C/c1ccccn1)c1cc(-c2ccc3ccccc3c2)[nH]n1	8690034	MPKRSBLEPUYVPU-LPYMAVHISA-N	341.374	3.389	50	50	EGGA	
O=C(NNC(=S)NC1CCCCC1)c1csc2ccccc12	374605	VOCANZDUHMNHAC-UHFFFAOYSA-N	333.482	3.343	50	50	EGGA	
CSc1nc(N(C)NC(=O)c2cccc(C)c2)c2ccccc2n1	1392682	MCNJLHYXCXJOCF-UHFFFAOYSA-N	338.436	3.441	50	50	EGGA	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1	5028073	DXFYWHZOPKYMDJ-ATVHPVEESA-N	335.363	3.496	50	50	EGGA	
O=c1c2ccccc2nc(C(Cl)(Cl)Cl)n1CCCl	332751	ACXCGDIPNVAGGL-UHFFFAOYSA-N	326.010	3.462	50	50	EGGA	
Cc1cccc(NC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1	17068760	NOUTXIIZBYSEAH-UHFFFAOYSA-N	334.379	3.252	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(C)cc2C)cc1	4018483	SBLFRUZRGGWLRS-HMMYKYKNSA-N	326.396	3.231	50	50	EGGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1	137909	RNUIYMZZBZSTNX-MKFNJMOCSA-N	332.787	3.266	50	50	EGGA	
O=C(COc1ccc2ccccc2c1)N/N=C/c1cccc([N+](=O)[O-])c1	261367	UYQYAFSVSISKAH-UDWIEESQSA-N	349.346	3.277	50	50	EGGA	
O=P(CCNCc1cccnc1)(c1ccccc1)c1ccccc1	2285421	QUERDKPFLFBBCC-UHFFFAOYSA-N	336.375	3.185	50	50	EGGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1O	59273	XMEPGYPYPHNFLJ-RQZCQDPDSA-N	343.433	3.244	50	50	EGGA	
Cn1c(C[C@@H](NC(=O)CCl)c2ccccc2)nc2ccccc21	1875362975	JMRFYNQCORWBLX-OAHLLOKOSA-N	327.815	3.212	50	50	EGGA	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccncc1	438188	RJQYVKIQSARHCP-HYARGMPZSA-N	331.375	3.278	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(F)c1	196668	GBXPIYAYBPEBIH-HNNXBMFYSA-N	334.306	3.150	50	50	EGGA	
COC1CCN(c2ccc(F)cc2CN(C)C(=O)[C@@H](C)Cl)CC1	1875363449	ANEOVOKUBRMIKR-GFCCVEGCSA-N	342.842	3.027	50	50	EGGA	
Cc1c(Cl)cccc1NCC(=O)N/N=C/c1ccc(C#N)cc1	358245	JMJYBTOWDBWSIB-UFFVCSGVSA-N	326.787	3.082	50	50	EGGA	
CC(C)(C)OC(=O)NN/C(COc1ccccc1)=N/CC(F)(F)F	66323366	HDZBOKGGYWBHEN-UHFFFAOYSA-N	347.337	3.056	50	50	EGGA	
C[C@@H]1CCCC/C1=N/NC(=O)CCC(=O)N/N=C1/CCCC[C@H]1C	30731309	SKSLOZQSOUWIGB-QFOMLOHJSA-N	334.464	3.131	50	50	EGGA	
Cc1nn(C)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1Cl	2761933	BIQHXFCOJBWOIA-FBCYGCLPSA-N	344.724	3.165	50	50	EGGA	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccccc1Br	253395	MLJBDVZOUTXTOR-CXUHLZMHSA-N	348.156	3.121	50	50	EGGA	
COc1cccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)c1	5687249	CMYPRTCESLCIMU-VCHYOVAHSA-N	340.408	3.219	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccccc1Br	292268	SUGOMGMGFCXAFG-HNNXBMFYSA-N	342.196	3.249	50	50	EGGA	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)cc1	79989	UZHBMQLDZIHGJL-UKTHLTGXSA-N	326.377	3.316	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1cccc(O)c1	13645515	REBQJSGIXPJPPI-WOJGMQOQSA-N	340.408	3.306	50	50	EGGA	
C/C(C=NNC(=O)CSc1nc(C)cc(C)n1)=C\c1ccccc1	245392013	XJVDIZQVCKOAJP-XNZLLJBKSA-N	340.452	3.391	50	50	EGGA	
COC(=O)c1c(NC(=O)CCl)sc2c1CCc1ccccc1-2	217039825	IUBVVMJSDJUYBT-UHFFFAOYSA-N	335.812	3.478	50	50	EGGA	
Cc1nc(C2CCCC2)sc1C(=O)NNc1nccnc1Cl	170644248	FBWBDZCVXQIZLI-UHFFFAOYSA-N	337.836	3.309	50	50	EGGA	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1c(O)ccc2ccccc12	291299	ZSWCNDIWZUXOFA-UDWIEESQSA-N	349.346	3.146	50	50	EGGA	
CCCOc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	2737449	BBSVREAVIVDASD-XDHOZWIPSA-N	341.367	3.456	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1	207382	LGFXTVHAPCJDLD-FZKQIMNGSA-N	332.359	3.488	50	50	EGGA	
C=CCc1cccc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1O	356834	IUNUJRMPYBPKPU-RGVLZGJSSA-N	344.798	3.303	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	48878	WXINMNJLPQYEEO-ZDUSSCGKSA-N	348.280	3.185	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2)C(C#N)=C(N)O1	71012	NRNXPRPIKPTFBW-OAHLLOKOSA-N	330.359	3.251	50	50	EGGA	
O=C(CCCC[C@H]1CCSS1)N[C@H](CO)Cc1ccccc1	120568308	IHAFXCZHJBAQLT-HOTGVXAUSA-N	339.526	3.420	50	50	EGGA	biogenic
O=C(Cc1ccccc1)NNC(=O)Nc1ccc(Cl)c(Cl)c1	4159938	OSYKBLACRGDFLM-UHFFFAOYSA-N	338.194	3.389	50	50	EGGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1cccnc1	1476834	WORULNZCGGKIIA-LPYMAVHISA-N	331.375	3.425	50	50	EGGA	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1OC	15219843	VXHZQEXLKFMJES-UVTDQMKNSA-N	338.363	3.345	50	50	EGGA	
BrC(Br)C(Br)Br	6827641	QXSZNDIIPUOQMB-UHFFFAOYSA-N	345.654	3.218	50	50	EGGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C1\CCOc2ccccc21	38962330	LBRNXWFUCBAQGP-SPYINAPQSA-N	344.798	3.410	50	50	EGGA	
O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccncc1	12375740	KIVRJAPVORJLJS-FJYMYNMMSA-N	330.185	3.233	50	50	EGGA	
CCc1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1	6394736	TTZYCSQDWVBLOR-UHFFFAOYSA-N	327.453	3.199	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)o1	67201	WWOMTDVKVSASDH-LZYBPNLTSA-N	331.422	3.440	50	50	EGGA	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccccc1)Nc1cccc(Cl)c1	1227555	JNHKZYCUYSFOQI-HUUCEWRRSA-N	329.787	3.296	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(OC)c(C)c1	292510	ZBUMRSRROMEOIR-MRXNPFEDSA-N	342.395	3.039	50	50	EGGA	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccsc1	4014755	YUSAHUJDFOGOSC-LLVKDONJSA-N	326.406	3.418	50	50	EGGA	
C[C@H]1CCc2cc(C(=O)NNC(=O)Nc3ccccc3)sc2C1	17067515	VFUQRAZUICZYDA-NSHDSACASA-N	329.425	3.339	50	50	EGGA	
O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccc(O)cc1	4210641	ZEUXAUMGSMRCMK-VXLYETTFSA-N	325.755	3.358	50	50	EGGA	
COc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)c(OC)c1	31858838	ARFLPDYVSMVYTN-YVLHZVERSA-N	343.404	3.351	50	50	EGGA	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc2c(cc1Cl)OCO2	252445471	MXYMIHPOASHEIG-NULXQDABSA-N	334.803	3.345	50	50	EGGA	
CCc1cc(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)cs1	8680990	WIPAGOGFHXBNMN-NSHDSACASA-N	333.482	3.181	50	50	EGGA	
Cc1cccc(NC(=O)[C@H](Cl)C(=O)c2ccc([N+](=O)[O-])cc2)c1	124541	LAFIWRYERCUEOP-CQSZACIVSA-N	332.743	3.332	50	50	EGGA	
CN(NC(=O)CCCCl)c1ncc(C(F)(F)F)cc1Cl	3048912	RNNNQPACZQEFMF-UHFFFAOYSA-N	330.137	3.240	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc2ccccc12	38770	PFGLBRIAHPIVMN-GOSISDBHSA-N	334.375	3.485	50	50	EGGA	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	434981	RNVBLYZGKUUXFG-DEDYPNTBSA-N	334.379	3.239	50	50	EGGA	
O=C(N/N=C/c1coc2ccc(Cl)cc2c1=O)C1CCCCC1	2521888	FFAIUNZTCLISCN-DJKKODMXSA-N	332.787	3.477	50	50	EGGA	
COc1ccc(C)cc1NC(=O)NNC(=O)c1ccccc1Cl	3199717	RNRHFBQENBOQTO-UHFFFAOYSA-N	333.775	3.124	50	50	EGGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2	4748265	UFTANGRFDLWWPP-YBFXNURJSA-N	342.399	3.197	50	50	EGGA	
CCCCCn1c(=O)c(C(=O)N/N=C(\C)CC)c(O)c2ccccc21	102264903	FOHASFSSWRSLJS-DEDYPNTBSA-N	343.427	3.413	50	50	EGGA	
CC1=C(n2nnc3ccccc32)[C@H](c2ccccc2)C(C#N)=C(N)O1	33346	KCHZSQYIEAAJMH-QGZVFWFLSA-N	329.363	3.128	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C(C)C)cc1	38780	OXVBQVHAMXGHJW-QGZVFWFLSA-N	326.396	3.455	50	50	EGGA	
COc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1	15220017	BQTLZRSIKJJXGE-RVDMUPIBSA-N	341.374	3.399	50	50	EGGA	
CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC	1841176	JEVCLNJEBFWVPD-UHFFFAOYSA-N	332.450	3.205	50	50	EGGA	in-vitro
COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c(O)c1	445163	DAPJDEHTDVQPJH-WSDLNYQXSA-N	349.390	3.116	50	50	EGGA	
CCc1ccc(NC(=O)C(=O)N/N=C/C(C)=C\c2ccccc2)cc1	25758431	GVPQNCFLLKJMDF-WQGZHNTLSA-N	335.407	3.393	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)CCc2ccccc2)c(O)c1	112542	CWVMQNXWQYICHD-RCCKNPSSSA-N	339.439	3.321	50	50	EGGA	
Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)ccc1Cl	566252	HTBDUYAUSJCPEQ-GIJQJNRQSA-N	347.758	3.086	50	50	EGGA	
Cc1nn(C(C)C)c(C)c1[C@H]1C(C#N)=C(N)Oc2n[nH]c(C(C)C)c21	67604753	OLBBUXZOYMTLMO-CQSZACIVSA-N	340.431	3.146	50	50	EGGA	
COc1ccc(NC(=O)NNC(=O)CCC2CCCCC2)c(OC)c1	17072576	ZBBYHDMMUWNRBY-UHFFFAOYSA-N	349.431	3.217	50	50	EGGA	
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC/C2=C(\O)C=O	257355743	CLFSGWWVUVITNE-CVVPHCSTSA-N	342.435	3.276	50	50	EGGA	
COc1cccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1	32649990	RNUIYMZZBZSTNX-ZDFPAGSVSA-N	332.787	3.266	50	50	EGGA	
O=C(N/N=C/C=C/c1ccco1)c1n[nH]c2c1CCc1ccccc1-2	19862360	IPVUVVFBTCFGTD-QNHQYDMRSA-N	332.363	3.197	50	50	EGGA	
CCOC(=O)[C@@H](Br)[C@H](Br)c1ccccc1	1706971	CCYOCUPSKJUNMD-ZJUUUORDSA-N	336.023	3.449	50	50	EGGA	biogenic,in-vitro
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@H]3CC=CCC3)[C@@H]2C1	225186648	OLOXGWIQPRRHEL-KFKAGJAMSA-N	347.466	3.011	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3n2C)cc1	554275	HZIHURIXCQBZNL-YBFXNURJSA-N	338.436	3.124	50	50	EGGA	
Cc1ccccc1C(=O)NCC(=O)N/N=C/c1cccc2ccccc12	4326725	BZCHQIOYEDPRSD-YDZHTSKRSA-N	345.402	3.028	50	50	EGGA	
Cc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	241288	WIAYNDUGPFRODI-INIZCTEOSA-N	330.343	3.320	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(CC)cc1	292905	NROYTNDREBGFGP-INIZCTEOSA-N	326.396	3.284	50	50	EGGA	
CCOC(=O)[C@H](/C(C)=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)C(C)C	252394251	CHCWYMNYPFSZEB-KZCIBHRYSA-N	330.428	3.118	50	50	EGGA	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1CC(C)C	90053	TZKSDWLTMSKQQT-CQSZACIVSA-N	326.396	3.347	50	50	EGGA	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)ccc1O	100195379	CHJHWYMSCMUNJS-MLPAPPSSSA-N	344.374	3.409	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1	77666	XDJXRNNFSBQWKR-HNNXBMFYSA-N	330.359	3.249	50	50	EGGA	
O=C(NNc1ccc(Cl)nn1)[C@@H]1C[C@@H]1c1c(F)cccc1Cl	129664788	PPLYWEMBYFITND-JGVFFNPUSA-N	341.173	3.169	50	50	EGGA	
CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1	5318868	VAUZQBNADQXJIY-UDWIEESQSA-N	335.411	3.303	50	50	EGGA	
C[C@H]1C=CCC(C)(C)[C@@H]1C(=O)C[C@@H](C)NNC(=O)c1ccccc1O	5043373	QEQGNBJQSYVHJZ-IYOUNJFTSA-N	344.455	3.213	50	50	EGGA	
C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(O)ccc1O	4948916	FIGIRDSJJOVUPS-RGVLZGJSSA-N	328.412	3.154	50	50	EGGA	
C[C@@H](Cl)C(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1	1875364576	XEXLHZNOMNVAGZ-LLVKDONJSA-N	334.778	3.322	50	50	EGGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cc2ccccc2cc1O	432183	QEPMXIUWHZRJOP-RQZCQDPDSA-N	341.348	3.279	50	50	EGGA	
O=C(Cc1ccccc1)NNC(=O)Nc1cccc(C(F)(F)F)c1	2141544	ZVUGBLOMENEXIW-UHFFFAOYSA-N	337.301	3.101	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@@H](Cl)[C@@H]1C[C@H]2Br	245234673	CQNJIVNXDXPYJU-QTBDOELSSA-N	346.496	3.212	50	50	EGGA	
COc1cccc(NCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c1	1875390463	XWWBVDXSCXQGJH-KHMXFYETSA-N	327.428	3.035	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1	1875364500	STDUAOAHVHURTM-YOEHRIQHSA-N	344.842	3.004	50	50	EGGA	
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc([N+](=O)[O-])cc2)c1C	5045582	WFDFHXXVOAAXQT-XNTDXEJSSA-N	339.351	3.472	50	50	EGGA	
COc1ccc(Br)cc1/C=N/NC(=O)C1CCCCC1	2513460	JLIVXVGXAZEXRZ-LICLKQGHSA-N	339.233	3.488	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@H](OCCCl)C[C@H]1[C@H]2Cl	252430707	GCFPUWPAGCMEBN-WNJXEPBRSA-N	346.098	3.073	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1F	289910	DDMQMBVZPMQPPW-OAHLLOKOSA-N	334.306	3.150	50	50	EGGA	biogenic,in-vitro
CCc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1	186284	BUGFEUFKFKNXGU-YBFXNURJSA-N	338.436	3.368	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)c2cc(Br)ccc2O)cc1	431590	OAGRZZZGFBDNTI-RQZCQDPDSA-N	333.185	3.227	50	50	EGGA	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(O)cc1)C(C#N)=C(N)O2	197240	FJZAWDVHTSZEAA-GOSISDBHSA-N	344.374	3.105	50	50	EGGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1	1427038	QWEZLAUOIJSXOS-QGZVFWFLSA-N	343.386	3.065	50	50	EGGA	
Cc1ccsc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1	72780	AUBCYVMBZLOUPI-LZYBPNLTSA-N	330.438	3.175	50	50	EGGA	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](O)c1ccccc1	437323	BGWOIPCGODMSAP-ISXGRJCASA-N	348.402	3.422	50	50	EGGA	
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(C)=O)cc2)cc1	4230019	MHWPQYCYUGFAKQ-DEDYPNTBSA-N	340.379	3.165	50	50	EGGA	
Cc1cc(C)c2c3c(sc2n1)[C@]1(CCO[C@@H]1C)C(C#N)=C(N)O3	4037338	OWJBQTLNNORECZ-QGHHPUGFSA-N	327.409	3.046	50	50	EGGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1	309640	NGMHEGLNXGMIRI-QGZVFWFLSA-N	329.359	3.462	50	50	EGGA	
C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2	12342899	DTVBJEPZPHGZRT-BKUYFWCQSA-N	336.391	3.448	50	50	EGGA	
COc1ccc(Cl)cc1NC(=S)NNC(=O)c1cccs1	13519264	GWJCTZLMKGXUSV-UHFFFAOYSA-N	341.845	3.042	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cc(Br)cs1	242284	PIFWSVNMIQBKFV-CYBMUJFWSA-N	349.209	3.434	50	50	EGGA	
CCc1n[nH]c2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	351041	CRTCDJXHDCPZPE-GFCCVEGCSA-N	335.194	3.497	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2F)C(C#N)=C(N)O1	77660	CPZOADGANXVFGD-HNNXBMFYSA-N	330.359	3.249	50	50	EGGA	
I[C@@H]1C[C@@H]2CC=C[C@H]2C[C@@H]1[n+]1ccccc1	239412519	SUUYLLOMBIKUCZ-FQUUOJAGSA-N	326.201	3.305	50	50	EGGA	
C[C@]12C[C@@H](Br)[C@H](Br)C[C@@]1(C)CN(N=O)C2	101138369	FNLMPIAUBAXGBY-KYXWUPHJSA-N	340.059	3.317	50	50	EGGA	
O=C(COc1cccc2ccccc12)NNC(=O)Nc1ccccc1	142656	FKVZCDIVWBGMRT-UHFFFAOYSA-N	335.363	3.072	50	50	EGGA	aggregator
Cc1cc(C)cc(OCC(=O)NNC(=O)c2c(C)cc(C)cc2C)c1	45041	YJOUALJHSVHXTG-UHFFFAOYSA-N	340.423	3.069	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1cccc(Cl)c1Cl	73477	WOBNSUSLTKNXGK-QGMBQPNBSA-N	339.226	3.416	50	50	EGGA	
C[C@H](Cl)C(=O)NCc1cnn(-c2ccccc2)c1C(F)(F)F	1875377440	DQDMCFIHAIDIEO-VIFPVBQESA-N	331.725	3.135	50	50	EGGA	
NC(=O)N/N=C/c1ccccc1OCc1cccc(Br)c1	276172	JHHBVIOJHSUHBE-GIJQJNRQSA-N	348.200	3.030	50	50	EGGA	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)c1	4259472	OBFIONVQNWEYDI-UFFVCSGVSA-N	349.312	3.103	50	50	EGGA	
O=C(N/N=C/c1ccccn1)c1cc(-c2cccc3ccccc23)[nH]n1	8683429	IVUWANDJULQUFZ-LPYMAVHISA-N	341.374	3.389	50	50	EGGA	
O=C(CSc1nc2ccccc2s1)N/N=C1/C[C@@H]2C=CC[C@@H]12	139050997	WXDJVUBAJRYXDR-AMDODJAPSA-N	329.450	3.457	50	50	EGGA	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1	13144898	KWTRHSBWDVUTFD-FNTCUZDCSA-N	335.407	3.289	50	50	EGGA	
Cc1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)c1	15934091	ULGJIHZFNUEVAG-UHFFFAOYSA-N	335.363	3.320	50	50	EGGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccccc2OC)cc1	4365882	UWSUVAJSBGWDCV-DEDYPNTBSA-N	326.396	3.177	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1Br	2473885	MQDSODDFIFKHHC-AWEZNQCLSA-N	345.196	3.264	50	50	EGGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc2ccccc12	4990359	IXNWRKHHULCWKO-YBFXNURJSA-N	335.319	3.218	50	50	EGGA	
O=C(CCl)N1N=C(c2cccs2)C[C@@H]1c1ccc2c(c1)OCO2	45067818	PUWLKHBOTQZLKE-GFCCVEGCSA-N	348.811	3.393	50	50	EGGA	
CCOC(=O)c1sc(NNC(=O)[C@@H](CC)c2ccccc2)nc1C	528056	VTUHSQFHEWQHIA-ZDUSSCGKSA-N	347.440	3.265	50	50	EGGA	
Cc1cccc(NS(=O)(=O)c2c(CCl)nn(C)c2Cl)c1C	1775989495	BQCLNNLHYBCYJL-UHFFFAOYSA-N	348.255	3.230	50	50	EGGA	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(C(C)C)cc2)n1	186492	DJNCBIRXUCYVDQ-VXLYETTFSA-N	342.468	3.459	50	50	EGGA	
Br[C@@H]1CCCCC[C@@H](Br)C12OCCO2	1729162	OQCIVOUQHXUSEL-RKDXNWHRSA-N	328.044	3.221	50	50	EGGA	
C[C@]1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)C[C@H]1Br	864056546	DYZMQHDORMWMBE-SCRDCRAPSA-N	330.266	3.158	50	50	EGGA	
CC(C)c1cc(C(=O)NNC(=S)NCc2ccccc2)cs1	8680957	KNFIUNHYERHLIX-UHFFFAOYSA-N	333.482	3.181	50	50	EGGA	
CC(C)(C)OC(=O)N[C@H](CCBr)C(=O)OC(C)(C)C	95079973	KAHXNHVFTFWYDP-SECBINFHSA-N	338.242	3.006	50	50	EGGA	
O=C(Cl)c1cc(I)ccc1Br	116820174	BQDRMTDACLJNPW-UHFFFAOYSA-N	345.361	3.433	50	50	EGGA	
Cc1cccc(NCCCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1	2996104	NTKWFCUILMYJMO-PXLXIMEGSA-N	338.455	3.403	50	50	EGGA	
C/C(=N/NC(=O)CCc1ccccc1)c1ccc(-n2ccnc2)cc1	20573010	OZXLCECZWBCBNC-JWGURIENSA-N	332.407	3.345	50	50	EGGA	
CCCN1CCC(=NNC(=O)c2cccc(Br)c2)CC1	5008584	MDBDVMIDZIEHAL-UHFFFAOYSA-N	338.249	3.041	50	50	EGGA	
N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc([N+](=O)[O-])cc1	4746568	YCLODXGWWLZAPV-KAMYIIQDSA-N	325.324	3.089	50	50	EGGA	
COc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1	799749577	VGTILWXIQHETQB-UHFFFAOYSA-N	335.285	3.343	50	50	EGGA	
NC(=O)c1c(NC(=O)CCCCl)sc2c1CCCCCC2	4099638	MLSGIXHIRPCWNG-UHFFFAOYSA-N	328.865	3.464	50	50	EGGA	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1	470248	NTFSRAZSEJROKC-QGZVFWFLSA-N	338.388	3.355	50	50	EGGA	
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C#N)cc([N+](=O)[O-])cc21	2349226	TWYKMXMQKACSPK-UHFFFAOYSA-N	343.258	3.204	50	50	EGGA	
CSc1nc(N(C)NC(=O)c2cccs2)c2ccccc2n1	1392676	QUGUGJRMGCPLMA-UHFFFAOYSA-N	330.438	3.194	50	50	EGGA	
C[C@H](Cl)C(=O)N1CCN([C@H](c2ccccc2)C(F)(F)F)CC1	1875364935	YIMRBLXFXABSFP-WCQYABFASA-N	334.769	3.062	50	50	EGGA	
O=C(N/N=C/c1ccc2ccccc2c1)[C@H]1COc2ccccc2O1	291140	DUVVKWCJAUDIFV-MRUVXERFSA-N	332.359	3.130	50	50	EGGA	
Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1	17071966	VLALPGGKAKEWHT-KGLIPLIRSA-N	345.349	3.230	50	50	EGGA	
O=C(COc1ccccc1Cc1ccccc1)NNc1ccccn1	181185659	URXSGWIGIGYLEY-UHFFFAOYSA-N	333.391	3.195	50	50	EGGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)o1	201677	LIPDLTGCDYQOGO-FUXBKTLASA-N	349.184	3.103	50	50	EGGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1cc(O)cc(O)c1	250799	AUPBUEMAVZYXFX-REZTVBANSA-N	325.151	3.169	50	50	EGGA	
O=C(N/N=C/c1ccccn1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	3903124	LTKYQQYWFUMQEJ-WSDLNYQXSA-N	349.438	3.036	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1	1875380111	FQKNJOLJIIOFPQ-ZYSHUDEJSA-N	342.870	3.398	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)s1	232681	TZQAJISNRWSPQC-VXLYETTFSA-N	336.420	3.309	50	50	EGGA	
CCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2O)cc1	4366692	OHGXXMHHKXHHQD-DEDYPNTBSA-N	342.395	3.100	50	50	EGGA	
CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1	1255312	CVHMQFXEZFEIAI-LPYMAVHISA-N	347.422	3.434	50	50	EGGA	
CC/C(=N\NC(=O)c1cccnc1)c1ccc(Br)cc1	5499167	BOVSUNCGWHVRAV-NBVRZTHBSA-N	332.201	3.388	50	50	EGGA	
CC(C)Oc1cccc(C(=O)NNc2nc(C(F)(F)F)cs2)n1	134157389	DSIVTRXEVCUPDW-UHFFFAOYSA-N	346.334	3.101	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(Cl)cc1	5296825	HSZAAZMUVLSLAG-VCHYOVAHSA-N	328.759	3.477	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	59411	PQIKMQNXVDWROI-CYBMUJFWSA-N	349.173	3.473	50	50	EGGA	
Cc1ccc(NC(=O)NNC(=O)c2ccc(Br)cc2)cc1	370818	WUGNPDZDADZUQC-UHFFFAOYSA-N	348.200	3.224	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C\c1ccc(Cl)c(Cl)c1	31841388	LUHRVLKCKFXOCT-LSCVHKIXSA-N	339.226	3.416	50	50	EGGA	
N#C/C(=C\c1ccc(Cl)s1)C(=O)NCc1ccc2c(c1)OCO2	17072188	CCAYPAMPQRUUJA-IZZDOVSWSA-N	346.795	3.354	50	50	EGGA	
COC(=O)c1sc2ccc([N+](=O)[O-])cc2c1CBr	330044	CSFZFEKDOLKEAS-UHFFFAOYSA-N	330.159	3.491	50	50	EGGA	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2	38757	PRYBIJAJECYWEP-SFHVURJKSA-N	328.375	3.399	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	47858	AQJQVFINWMIQMX-GFCCVEGCSA-N	349.173	3.473	50	50	EGGA	
O=C(COc1ccc(Cl)cc1)N/N=C/c1c[nH]c2ccccc12	239348	LYZSMACMAIGKOD-KEBDBYFISA-N	327.771	3.350	50	50	EGGA	
COc1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)c([N+](=O)[O-])c1	2884323	JLHKKLABNXVPQU-RMKNXTFCSA-N	329.337	3.056	50	50	EGGA	
CCCCCCC[C@@H](O)CCC(=O)N/N=C/c1ccc(O)cc1O	102994037	XSIKORPCVNMCPS-DQPIFXJKSA-N	336.432	3.050	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C)oc2C)c(O)c1	435332	LKBSNOXMWCBDKD-YBFXNURJSA-N	329.400	3.212	50	50	EGGA	
Cc1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)o1	13154666	NMHPDXAMPMSCAJ-VNAJSCGASA-N	336.347	3.031	50	50	EGGA	
COc1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1Cl	32593036	AINJQWXTJVKCGL-JMIUGGIZSA-N	331.803	3.219	50	50	EGGA	
CC(C)(C)[Si](OCCC(=O)O)(c1ccccc1)c1ccccc1	196162615	RPCLRMHYSJYSAG-UHFFFAOYSA-N	328.484	3.038	50	50	EGGA	
C/C=C1\C[N@+]2(CC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	252441015	ATENPHFDKOJCEO-ZJKLMNILSA-O	337.443	3.097	50	50	EGGA	biogenic
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccncc1	616337	KOHCOOGDNSAVKA-DNVCBOLYSA-N	343.386	3.290	50	50	EGGA	
COc1cc(/C=N/NC(C)=O)ccc1OC(=O)c1ccc(Cl)cc1	2390797	SPLVBNFIYYYXOR-VXLYETTFSA-N	346.770	3.038	50	50	EGGA	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)cc2)c1	4723657	QZUYJPFSKWLJEV-GDNBJRDFSA-N	336.347	3.004	50	50	EGGA	
CCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)[C@H](F)Cl	2325898494	HPKVNZHMQAAEDV-AWEZNQCLSA-N	344.814	3.173	50	50	EGGA	
COc1ccc(C(=O)C(C#N)=C2Nc3ccccc3N2)cc1[N+](=O)[O-]	532503	JTFPBRKMLGVKJJ-UHFFFAOYSA-N	336.307	3.059	50	50	EGGA	
Cc1occc1C(=O)N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	30802548	XRXRUMANFCGNEM-WQRHYEAKSA-N	338.323	3.051	50	50	EGGA	
Cn1nccc1CNCC1(O[Si](C)(C)C(C)(C)C)CCOCC1	952876915	HXLQIWYZFLPXRI-UHFFFAOYSA-N	339.556	3.081	50	50	EGGA	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC[C@@H]1CCCO1	288983	BMHYIADXJNWULH-HUYFXPKMSA-N	325.195	3.196	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1	55040	DVFNILOIQNVJEU-CQSZACIVSA-N	345.196	3.264	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2C)C(C#N)=C(N)O1	4304177	FLLAZDGABPHNDD-INIZCTEOSA-N	326.396	3.418	50	50	EGGA	
CSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	19883148	QWPHNUFCZIPGPY-INIZCTEOSA-N	340.404	3.207	50	50	EGGA	
O=C(N[C@@H](Cc1ccccc1)C(=O)CCl)OCc1ccccc1	1583409	OYHLRJGDELITAF-INIZCTEOSA-N	331.799	3.332	50	50	EGGA	aggregator,biogenic,in-vitro
COC1CCN(c2ccc(F)cc2CN(C)C(=O)[C@H](C)Cl)CC1	1875363450	ANEOVOKUBRMIKR-LBPRGKRZSA-N	342.842	3.027	50	50	EGGA	
Cc1cc(Cl)ccc1C(=O)NCCSSCCC(=O)O	1875389031	YZFJXIHQPIWQIY-UHFFFAOYSA-N	333.862	3.234	50	50	EGGA	
CCOc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccccc2)cc1	5673425	SAFPFCSBIQIIPH-KGENOOAVSA-N	339.395	3.220	50	50	EGGA	
Cc1cc(C)c(C(=O)NCCSSCCC(=O)O)cc1C	1875388409	ADIXBMUWCCSOKK-UHFFFAOYSA-N	327.471	3.198	50	50	EGGA	
Cc1cc(C)c2c3c(sc2n1)C1(CCOCC1)C(C#N)=C(N)O3	614413	ZJTUMAYDPOEAGL-UHFFFAOYSA-N	327.409	3.048	50	50	EGGA	
COC(=O)[C@H]1C[C@@H](Cl)CN1c1ncc(C(F)(F)F)cc1Cl	20218535	PPEKBMWOZHUDPV-VXNVDRBHSA-N	343.132	3.113	50	50	EGGA	
C/C=C1\C[N@@+]2(CC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	252441014	ATENPHFDKOJCEO-XLLAXNIPSA-O	337.443	3.097	50	50	EGGA	biogenic
Cc1cc(C)nc(SCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)n1	1875390377	PXNMNFFFQGHMPH-WFADCGHUSA-N	344.484	3.114	50	50	EGGA	
Cc1ccc([C@@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19831315	WGMBQYIBNHRLRP-DLBZAZTESA-N	332.432	3.152	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1OC	12343100	IKOWJIZDGHJFFE-NSFJBHPKSA-N	338.407	3.348	50	50	EGGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1	4326978	FYZRHAATLPMJNT-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1	5296976	GAVYLJPNGAMXAG-FYJGNVAPSA-N	348.406	3.412	50	50	EGGA	
Cc1cccc(NC(=O)NNC(=O)c2ccccc2Br)c1	9875915	HDFFERBYQQQKDO-UHFFFAOYSA-N	348.200	3.224	50	50	EGGA	
C[C@@H](NC(=S)NNC(=O)c1ccc(Cl)s1)c1ccccc1	2760527	ZELQTKFYBZKLNA-SECBINFHSA-N	339.873	3.272	50	50	EGGA	
[C-]#[N+][C@H](c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	95686568	BBHGJASHMFZDSX-KRWDZBQOSA-N	331.393	3.404	50	50	EGGA	
O=C(NN=C1c2ccccc2-c2ccccc21)c1ccc(O)cc1O	433507	IWQALDSYJRGAMN-UHFFFAOYSA-N	330.343	3.261	50	50	EGGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)[nH]n2)cc1	6813100	FWPYHUVOHUFKKK-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
O=C(O)CCSSCCNC(=O)CCc1cccc(Cl)c1	1875388848	SJWMUSINAPFAAR-UHFFFAOYSA-N	347.889	3.245	50	50	EGGA	
CC[C@@H](Br)C(=O)Nc1cc(Cl)c(OC)cc1OC	32919892	UHOKWUICWIWYPH-SSDOTTSWSA-N	336.613	3.469	50	50	EGGA	
O=C(N/N=C/c1cc2ccccc2nc1Cl)c1ccccc1O	4210564	RCSOICCAGLXKDO-VXLYETTFSA-N	325.755	3.358	50	50	EGGA	
C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(N)cc1	5314327	UNFMOJWXJBBXFK-FYJGNVAPSA-N	333.395	3.121	50	50	EGGA	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/C=C/c1ccccc1	4372687	RIKGOQZCYJFTQJ-KFHHCJAASA-N	339.351	3.178	50	50	EGGA	
N#C/C(=C\Nc1ccccc1Cl)C(=O)NC(=O)c1ccccc1	334734	TYQGURFRZMXBEZ-ACCUITESSA-N	325.755	3.116	50	50	EGGA	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]c(-c4ccccc4)nc32)c1	5988173	HKWZXMYUKUVWRG-MRXNPFEDSA-N	344.374	3.303	50	50	EGGA	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c1	8995645	IMALHBXQPRAPBB-INIZCTEOSA-N	344.374	3.303	50	50	EGGA	
C[C@@H]1[C@@H](NC(=O)COC(=O)/C(C#N)=C\c2ccccc2)CCC[C@H]1C	254551146	ZQMCPBJDTVYHKU-DFRFIBNDSA-N	340.423	3.078	50	50	EGGA	
CC1(C)CCC(=CC(=O)NNc2nc(-c3ccncc3)no2)CC1	121641433	QDLQGDRABIIWRI-UHFFFAOYSA-N	327.388	3.101	50	50	EGGA	
CN(NC(=O)C(C)(C)CCl)c1ncc(C(F)(F)F)cc1Cl	3104454	JWRBQZBCPWEJKU-UHFFFAOYSA-N	344.164	3.486	50	50	EGGA	
CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1N	4054714	FNJHVZVKXDCMNI-UHFFFAOYSA-N	326.400	3.246	50	50	EGGA	
CC(C)N(C(=O)CCl)[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1	1875370030	YCQLPQZOKWYESS-CYBMUJFWSA-N	332.872	3.252	50	50	EGGA	
C/C=C1\C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1c(OC)cccc14	253487851	RYFUCGCTWTVHMS-JUJQFHGQSA-O	337.443	3.010	50	50	EGGA	
Cc1nc(NNC(=O)c2ccc([N+](=O)[O-])cc2)cc(-c2ccccc2)n1	432429	UDTRUZINELNTFF-UHFFFAOYSA-N	349.350	3.117	50	50	EGGA	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc2c(c1)OCO2	98622	HBJUAVVNOCMODI-DJKKODMXSA-N	342.420	3.107	50	50	EGGA	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2	3898768	XVNXPTMOFMNNDM-YBFXNURJSA-N	327.384	3.261	50	50	EGGA	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(C)cc1	20247064	KSCXTKSIDLWMMJ-XSFVSMFZSA-N	328.441	3.034	50	50	EGGA	
O=C(CSc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	2534594	MXOZDDUBWPVBLD-RQZCQDPDSA-N	349.799	3.491	50	50	EGGA	
COc1ccc([Si](C)(C)O[Si](C)(C)c2ccc(OC)cc2)cc1	169744951	BCPXZIHUIDBHCK-UHFFFAOYSA-N	346.575	3.245	50	50	EGGA	in-vitro
CCc1ccc(OCC(=O)NNC(=O)Nc2ccccc2CC)cc1	17071395	LBDSGRBBTDSACR-UHFFFAOYSA-N	341.411	3.043	50	50	EGGA	
CCOc1ccc(NC(=O)NNC(=O)c2ccc(CC)s2)cc1	610435	HZLSRUIHUBEGHH-UHFFFAOYSA-N	333.413	3.176	50	50	EGGA	
CCc1[nH]nc2c1[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	5609981	YXMAHMCIVQWPAS-LBPRGKRZSA-N	334.301	3.209	50	50	EGGA	
CCOc1cc(/C=N/NC(N)=O)ccc1OCc1ccc(Cl)cc1	4335740	NQMLBIZKRLZRRJ-KEBDBYFISA-N	347.802	3.320	50	50	EGGA	
N#CS[C@@H](CS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	126865	YIBBMNNRXZOFAN-HNNXBMFYSA-N	348.405	3.324	50	50	EGGA	
CCC12C[C@@H]3C[C@H](C1)CC(C(=O)N/N=C1/CN4CCC1CC4)(C3)C2	23114698	CDYSRBRDJUCIFE-URCVQYMJSA-N	329.488	3.181	50	50	EGGA	
CC[C@H](C(=O)NNC(=O)Nc1cc(C)ccc1OC)c1ccccc1	2856166	VWUIBPQRYTZABV-HNNXBMFYSA-N	341.411	3.350	50	50	EGGA	
O=C(/C=C/NNC(=O)c1ccccc1)c1ccc(Br)cc1	2893362	LDCKAQOCZKSAMO-ZHACJKMWSA-N	345.196	3.080	50	50	EGGA	aggregator
O=C(CBr)c1c(Br)cc(F)c(F)c1F	1857780930	UYKSKCKVXDYQTJ-UHFFFAOYSA-N	331.913	3.444	50	50	EGGA	
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1	299558	HBLFNYADNAKXJA-UHFFFAOYSA-N	330.387	3.280	50	50	EGGA	
N#CC1=C(N)Oc2[nH]nc(C(F)(F)F)c2[C@@H]1c1ccccc1Cl	76430	JNVXEGYKHDTOKM-SECBINFHSA-N	340.692	3.300	50	50	EGGA	
COC(=O)/C(CCCCl)=C(\C)[Sn](C)(C)C	169830735	PGFPAEFZZZXNFV-UHFFFAOYSA-N	339.451	3.372	50	50	EGGA	
CCCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1	2543925	HLVTWXSGXWPRQT-DEDYPNTBSA-N	342.395	3.344	50	50	EGGA	
CC(C)(C)c1cc(C(=O)N/N=C\c2ccccc2C(F)(F)F)[nH]n1	5062032	FKELLUFZEFNXJE-UKWGHVSLSA-N	338.333	3.490	50	50	EGGA	
O=C(CCl)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1	1336909417	AVFFFBMELUSNCZ-OAHLLOKOSA-N	331.778	3.272	50	50	EGGA	
CCOc1ccc(NCC(=O)N/N=C(\C)c2ccc(C)cc2)cc1	524695	QBPKADCLNVEXON-RCCKNPSSSA-N	325.412	3.346	50	50	EGGA	
CCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC	373587	FKBRDMWOZJEFPP-LFIBNONCSA-N	343.404	3.432	50	50	EGGA	
Cc1ccccc1C1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	188365710	HTAMZVOEBRTCNY-ATVHPVEESA-N	332.403	3.456	50	50	EGGA	
CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	342378	OLAQJKJZPPRPTN-YBFXNURJSA-N	332.787	3.268	50	50	EGGA	
CCOC(=O)[C@]1(C#N)C(=O)[C@H](c2ccccc2)[C@H]2CCCCC2=C1C#N	245247524	UOSFJDGSTWTMSR-CDXJDZJCSA-N	348.402	3.436	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)COc1ccc2ccccc2c1	3036609	QVSUFCTZEZHLDV-FYJGNVAPSA-N	334.375	3.378	50	50	EGGA	
COc1cc(/C=N/NC(=O)CCCNc2ccc(C)cc2)ccc1O	2996079	RWWPGDUDFJNKFX-FYJGNVAPSA-N	341.411	3.052	50	50	EGGA	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccs3)n[nH]2)cc1	6780447	WCKCUHDIXOCVGP-WOJGMQOQSA-N	340.408	3.301	50	50	EGGA	
O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccc(Cl)cc1	1960366	HYBBVAFVBPKRMZ-XDHOZWIPSA-N	329.787	3.209	50	50	EGGA	
O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1ccccc1Cl	2530411	QEBDFRJFPHPQNY-YKIVCEQRSA-N	327.771	3.094	50	50	EGGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])[nH]n2)cc1	263772	YYSIIVPSYGEWDL-YBFXNURJSA-N	349.350	3.057	50	50	EGGA	
Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2	4103299	LQCITFUQIIMVHZ-QGZVFWFLSA-N	343.346	3.068	50	50	EGGA	
Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	1427040	KFKOGOIUJQBASX-QGZVFWFLSA-N	343.386	3.065	50	50	EGGA	
C/C(=N\NC(=O)Cn1cnc2ccccc21)[C@H]1C[C@@H]1c1ccccc1	222155220	HWZFXZGORJWZLJ-WCMOGDTGSA-N	332.407	3.332	50	50	EGGA	
Cc1ccc(NC(=O)C(=O)N/N=C/C=C/c2ccccc2)cc1Cl	4259459	DIAWIXZFJXZRKH-JNJFRLMHSA-N	341.798	3.402	50	50	EGGA	
Cl[C@@H]([C@@H](Cl)n1nnc2ccccc21)n1nnc2ccccc21	1027660	UIAREUJWMRPZCP-OKILXGFUSA-N	333.182	3.351	50	50	EGGA	
CCc1n[nH]c2c1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	32511747	MUCFUPOYNXWFST-GFCCVEGCSA-N	335.194	3.497	50	50	EGGA	
Cn1cccc1CC(=O)N/N=C/C(Br)=C/c1ccccc1	2512991	BDZOKGJYYRAXML-VVKOYFRTSA-N	346.228	3.106	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@H](Cl)C[C@H]1[C@H]2Br	245255646	JSDWVKURFFDIKI-RSJOWCBRSA-N	346.496	3.212	50	50	EGGA	
O=C(N/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1	4054223	NGVBDAMGXJVKGZ-GZTJUZNOSA-N	344.396	3.020	50	50	EGGA	
COc1ccc(O)c(/C=N/NC(=O)COc2ccc(C(C)C)cc2)c1	286362	DFGBISPPHYRSBM-RGVLZGJSSA-N	342.395	3.053	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1cccs1	13388177	PQJLCGZOCUPHQM-VCHYOVAHSA-N	328.372	3.431	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccncc1	616338	KOHCOOGDNSAVKA-HNAYVOBHSA-N	343.386	3.290	50	50	EGGA	
CCn1c(SCC(=O)N/N=C/c2ccccc2)nc2ccccc21	186622	QKHRAPKQITUKAU-XDHOZWIPSA-N	338.436	3.299	50	50	EGGA	
Cc1ccc(OCC(=O)NNc2nc3ccc(F)cc3s2)cc1	1776111273	KSDJAJIVKZBQOE-UHFFFAOYSA-N	331.372	3.266	50	50	EGGA	
COCc1csc(CN(CCc2ccco2)C(=O)CCl)c1	1875376335	SXMPSMYJRAXYOD-UHFFFAOYSA-N	327.833	3.298	50	50	EGGA	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c1	280764	LMVXQQKACBZWLS-GIJQJNRQSA-N	345.355	3.149	50	50	EGGA	
Cc1ccc([C@H]2C[C@H]2C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1	17071968	VLALPGGKAKEWHT-ZIAGYGMSSA-N	345.349	3.230	50	50	EGGA	
Cn1ccc(C(=O)N/N=C(\C=C\c2ccccc2)c2ccccc2)n1	4499199	BAPBSBHTCXNYSV-UVNARHGHSA-N	330.391	3.268	50	50	EGGA	
CC(C)c1ccc(/C=N\NC(=O)c2ccc(Cn3cccn3)o2)cc1	32573559	JTBKKYKPCFKEEJ-NDENLUEZSA-N	336.395	3.412	50	50	EGGA	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)NCc1ccccc1	4499349	DMNVFMVNMKSEHK-LGMDPLHJSA-N	335.407	3.493	50	50	EGGA	
O=C(N/N=C/[C@H]1C[C@H]2CC[C@H]1C2)C(O)(c1ccccc1)c1ccccc1	101633608	AVOCCHZHHHQNLQ-NWCOEHNKSA-N	348.446	3.461	50	50	EGGA	
CC[C@H](Br)C(=O)Nc1cc(Cl)c(OC)cc1OC	32919893	UHOKWUICWIWYPH-ZETCQYMHSA-N	336.613	3.469	50	50	EGGA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC1=CC(=O)CCC1	5353988	IOUXTYUPUVWSRR-VIFPVBQESA-N	343.210	3.018	50	50	EGGA	
O=C(CCCCC(=O)NN=C1CCCCC1)NN=C1CCCCC1	3899097	MBHOTLVGYHLMIQ-UHFFFAOYSA-N	334.464	3.419	50	50	EGGA	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1cccc(Br)c1	5007839	MYABFFWXIQAVIH-LZNAANCOSA-N	347.212	3.023	50	50	EGGA	
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cccc(F)c1	12343221	DFDNRRYDHUSCIN-YYRVAAGNSA-N	326.327	3.374	50	50	EGGA	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1	490662541	BNUZZNGNDPLXHM-MHWRWJLKSA-N	336.347	3.077	50	50	EGGA	
Cc1ccc(C(=O)NCCSSCCC(=O)O)c2c1CCC2	1875388598	IAJFOVYOWGFZJM-UHFFFAOYSA-N	339.482	3.070	50	50	EGGA	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccnc2)cc1	48792	KZHIAADQROQTOJ-SFHVURJKSA-N	343.390	3.102	50	50	EGGA	
CC[C@H](Br)C(=O)Nc1ccc(Cl)c(OC)c1OC	74941511	XHPREJLZVAOINO-ZETCQYMHSA-N	336.613	3.469	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)c1[nH]nc(-c2ccccc2)c1C	72476	AQYHEFNFIZZRAF-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@H](C)Cl)C[C@@H](C)C2	1875377769	NCVVYFWZJACYJZ-SRVKXCTJSA-N	325.836	3.413	50	50	EGGA	
C/C=C/CO[Si](c1ccccc1)(c1ccccc1)c1ccccc1	169816482	CZOWRNDKWXEGMM-NSCUHMNNSA-N	330.503	3.246	50	50	EGGA	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C	241895	ROZCPSUWGLETLZ-QGZVFWFLSA-N	338.407	3.455	50	50	EGGA	
O=C(Cc1cccc2c1CCCC2)N/N=C\c1ccccc1[N+](=O)[O-]	43761195	XTRZRFWQLLICPG-MOSHPQCFSA-N	337.379	3.166	50	50	EGGA	
COc1ccc(NNC(=O)c2ccn(C(C)C)n2)c(C(F)(F)F)c1	408517524	KKSMCQNPKATVMV-UHFFFAOYSA-N	342.321	3.248	50	50	EGGA	
O=[N+]([O-])c1cc(I)cc(CBr)c1	237996540	IIGPAZNWDKJFOH-UHFFFAOYSA-N	341.930	3.094	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1ccc3ccccc3c1)C(C#N)=C(N)O2	292812	MKCAGORWQLROKQ-KRWDZBQOSA-N	330.343	3.320	50	50	EGGA	
O=C(CBr)c1cc2cc(Br)ccc2oc1=O	195517	DPCNZZCJPVCZHL-UHFFFAOYSA-N	345.974	3.133	50	50	EGGA	
CCCCCn1c(=O)c(C(=O)NN=C(C)C)c(O)c2ccccc21	100658385	NKIHFGLUSXGNQG-UHFFFAOYSA-N	329.400	3.023	50	50	EGGA	
I[C@@H]1C[C@@H]2CC=C[C@H]2C[C@H]1[n+]1ccccc1	239412520	SUUYLLOMBIKUCZ-IGQOVBAYSA-N	326.201	3.305	50	50	EGGA	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1C(=O)O	5024155	HASHDPLYAFGYRT-ZROIWOOFSA-N	336.347	3.248	50	50	EGGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCC=C12	47852	QVBWMJUFKQWFSF-NVXWUHKLSA-N	345.362	3.188	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(Br)cc1	196779	HUZOXHGQHRRACW-OAHLLOKOSA-N	342.196	3.249	50	50	EGGA	
C[C@@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2	1875377940	RSZWAFHSQNNBDT-SWHYSGLUSA-N	343.801	3.019	50	50	EGGA	
O[C@@]1(c2ccc(Cl)cc2)[C@H](CCCl)SC2=NCCCN21	4759833	LJULRUGRUGMKCP-JSGCOSHPSA-N	331.268	3.291	50	50	EGGA	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21	5130776	AKZQJMZVWFXCKO-AWEZNQCLSA-N	338.411	3.324	50	50	EGGA	
Cc1nn(Cc2ccccc2)c2ncc(NC(=O)[C@H](C)Cl)cc12	1875363721	UYNNCJHGOPMTGC-NSHDSACASA-N	328.803	3.354	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1	76447	LUYUTFJVRYGXHU-AWEZNQCLSA-N	345.196	3.264	50	50	EGGA	
Cc1ccc(CSCC(=O)NNC(=S)Nc2ccccc2)cc1	6400725	BFZXZAGPAZFYNB-UHFFFAOYSA-N	345.493	3.246	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)cs1	8556110	UYDAZGHQFSOBEL-UFWORHAWSA-N	328.372	3.350	50	50	EGGA	
COc1ccc(C)cc1NC(=O)NNC(=O)c1ccc(Cl)s1	17071169	NDKMQBDTSQYSEZ-UHFFFAOYSA-N	339.804	3.185	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1	275715	LLRSHOZAZWOVED-DJKKODMXSA-N	326.787	3.368	50	50	EGGA	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1n[nH]c(N)c1C#N	3902895	WDLQTOOHRAJTSJ-YRNVUSSQSA-N	346.306	3.096	50	50	EGGA	
Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)n(C)c1ccccc21	1427254	DGTRLICBGMBPCC-AWEZNQCLSA-N	349.415	3.127	50	50	EGGA	
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1	4135674	KWUATZIVJLBZIC-XDHOZWIPSA-N	338.367	3.222	50	50	EGGA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=O	253498873	AIMQMSBWBNRJGW-SXVWWIEASA-N	347.503	3.414	50	50	EGGA	biogenic
O=C(NNc1ccnc(F)c1)c1ccc(OC(F)(F)Cl)cc1	194848232	IAPNLJPYJSDACP-UHFFFAOYSA-N	331.681	3.146	50	50	EGGA	
CCOc1ccccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1Cl	435846	MWSLEOZXAMWLQV-VCHYOVAHSA-N	347.758	3.411	50	50	EGGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1	441977	NEDWARFZLOOGJU-DHZHZOJOSA-N	342.307	3.333	50	50	EGGA	
CCOC(=O)c1sc(NNC(=O)[C@H](CC)c2ccccc2)nc1C	528058	VTUHSQFHEWQHIA-CYBMUJFWSA-N	347.440	3.265	50	50	EGGA	
CC(C)(C)C[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccccn3)c2C1	5317353	DXCBJTCSAJDZER-XMOVILSBSA-N	339.443	3.110	50	50	EGGA	
COc1cc(/C=C(\C#N)C(N)=O)cc(CSc2ccccc2)c1O	2568229	FOGXCBUSKWTDKV-NTUHNPAUSA-N	340.404	3.085	50	50	EGGA	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccc1F	52178	WMWIWFFLUSHUEU-HNNXBMFYSA-N	332.338	3.434	50	50	EGGA	
CCOc1ccc(NC(=O)CCC(=O)NN=C2CCCCC2)cc1	492299	DLADNHFRJBLYEE-UHFFFAOYSA-N	331.416	3.240	50	50	EGGA	
CCCCc1[nH]nc2c1[C@@H](c1ccc(F)cc1F)C(C#N)=C(N)O2	5045034	SEOLQMOMABPZHY-AWEZNQCLSA-N	330.338	3.249	50	50	EGGA	
C[C@@H](Oc1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccc(Cl)cc1	19928037	OMUVHFDPKGOKLZ-VDCVXVNISA-N	347.758	3.166	50	50	EGGA	
CCOc1ccc([C@@H]2CC(=O)NC(SCC)=C2C#N)cc1OC	9375016	MSSCLDJIFYPVMW-LBPRGKRZSA-N	332.425	3.186	50	50	EGGA	
CCc1ccc(C(=O)N/N=C(\C)c2cccc(NC(C)=O)c2)s1	17067521	YHGFIQCNCCDCQX-YBFXNURJSA-N	329.425	3.423	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(C(C)C)[nH]n2)cc1	5686333	RWAXDSWSPULKMF-XDHOZWIPSA-N	327.432	3.143	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)cc1	580469	OBLWOLJBIBFJOV-VCHYOVAHSA-N	347.212	3.287	50	50	EGGA	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)[C@H]1C[C@H]3CC[C@H]1C3)C2	1875391024	DXFIBDJJTJDEHK-QQMNVSRKSA-N	346.471	3.284	50	50	EGGA	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccncc1	249783	QVBSLZRLPJMGOH-HYARGMPZSA-N	331.375	3.425	50	50	EGGA	
Cc1nn(C)c(NC(=O)NNc2ccc(C#N)cc2)c1-c1ccccc1	1875303658	HMSTVLCMBJBLAO-UHFFFAOYSA-N	346.394	3.416	50	50	EGGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1	259510	LDBCHEMELRUXJL-GIDUJCDVSA-N	328.111	3.259	50	50	EGGA	
C[C@@H](Cl)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1	1875375825	JIAISCQSIIRSLR-MRVPVSSYSA-N	347.724	3.085	50	50	EGGA	
Cc1cccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)c1	439878	YXHHVQXCYGCYAY-VXLYETTFSA-N	326.421	3.253	50	50	EGGA	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccs2)cc1C	2134286	SGLLXCIDTBFLLX-WOJGMQOQSA-N	329.425	3.234	50	50	EGGA	
O=C(O)CCSSCCNC(=O)c1ccc(F)c(Cl)c1	1875388677	LRDYPEQKAFPPFH-UHFFFAOYSA-N	337.825	3.065	50	50	EGGA	
CCOC(=O)NNC(=O)Nc1ccc(Cl)cc1C(F)(F)F	2167809	XVYQFSQDFCWREU-UHFFFAOYSA-N	325.674	3.141	50	50	EGGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)[nH]n2)cc1	435407	FHJMLBGFUISJLT-YBFXNURJSA-N	349.350	3.057	50	50	EGGA	
Cn1cc(C(=O)CBr)cc1C(=O)C(Cl)(Cl)Cl	3118820	GVNBBMXHESMJPN-UHFFFAOYSA-N	347.423	3.156	50	50	EGGA	
CCOC(=O)/C(C#N)=C\Nc1cccc(OC(F)(F)C(F)F)c1	5250269	OOYDXVRWKKXOOP-HJWRWDBZSA-N	332.253	3.306	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	292795	GCXGGLUGRDBVNO-AWEZNQCLSA-N	332.787	3.375	50	50	EGGA	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1C(=O)O	4974054	BICOFIUSVHOVCW-ZROIWOOFSA-N	336.347	3.248	50	50	EGGA	
COc1ccc(CC(=O)N/N=C/c2c[nH]nc2-c2ccc(C)cc2)cc1	370951	UFTUIUJITPGVMO-CIAFOILYSA-N	348.406	3.087	50	50	EGGA	
COc1ccc(C(=O)NN)cc1COc1cccc(Cl)c1Cl	374070	FERLJSXKGQPYMN-UHFFFAOYSA-N	341.194	3.185	50	50	EGGA	
O=C(CCCCBr)N1C(=O)OC[C@@H]1Cc1ccccc1	113646128	LRQYSKNJBAVITI-ZDUSSCGKSA-N	340.217	3.142	50	50	EGGA	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C1CC1	6829686	CLBWZTDWQYGABM-FYJGNVAPSA-N	330.391	3.399	50	50	EGGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	286299	IWZQYXRHIISGSK-VDCVXVNISA-N	347.758	3.166	50	50	EGGA	
Cc1ccc(C(=O)NNC(=O)COc2ccc(C(C)(C)C)cc2)cc1	101169	PPJMOPXUHAKXFB-UHFFFAOYSA-N	340.423	3.133	50	50	EGGA	
CC(C)(C)OC(=O)N/N=C\c1cc2c(cc1Br)OCO2	32634432	LSRKOTGFYABWEM-UUASQNMZSA-N	343.177	3.036	50	50	EGGA	
C[C@]1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)C[C@H]1Br	864056543	DYZMQHDORMWMBE-BZPMIXESSA-N	330.266	3.158	50	50	EGGA	
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1cccc2ccccc12	4229139	MVHZDJPRUSINPL-LPYMAVHISA-N	341.370	3.445	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1	3008727	QJBYXDPQRDYDJK-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
CCC/C(=N\NC(=O)COc1ccc(OC)cc1)c1ccccc1	13978099	QAVJQKSONVGSDW-CZIZESTLSA-N	326.396	3.395	50	50	EGGA	
COC1=CC(C=O)=CC(=CC=C2N(C)c3ccccc3C2(C)C)C1=O	1857524800	NFYVCGAXKDNNJO-UHFFFAOYSA-N	335.403	3.463	50	50	EGGA	
COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCl	2584861	VQVNYBAZRATAJB-UHFFFAOYSA-N	339.800	3.388	50	50	EGGA	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1	3998151	XKHCCTUETHWQKI-DTQAZKPQSA-N	330.391	3.464	50	50	EGGA	
O=C(N/N=C/c1ccc(F)cc1)c1n[nH]c2c1CCc1ccccc1-2	9274408	DYWQGGXHUFPICG-SRZZPIQSSA-N	334.354	3.078	50	50	EGGA	
CC(C)(C)C[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccccn3)c2C1	5317351	DXCBJTCSAJDZER-LNOXHEFASA-N	339.443	3.110	50	50	EGGA	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccc(Br)cc1	250692	HROKHZWUVAJYMK-CXUHLZMHSA-N	348.156	3.121	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Br	196605	MQDSODDFIFKHHC-CQSZACIVSA-N	345.196	3.264	50	50	EGGA	
O=P(CCNCc1ccco1)(c1ccccc1)c1ccccc1	2363979	BBADOYXPEAFTBN-UHFFFAOYSA-N	325.348	3.383	50	50	EGGA	
CCc1[nH]nc2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	5610042	YXMAHMCIVQWPAS-GFCCVEGCSA-N	334.301	3.209	50	50	EGGA	
C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)cc1	14783687	YAXJTVBQYDEHEI-UDWIEESQSA-N	326.787	3.230	50	50	EGGA	
Cc1n[nH]c2c1[C@H](c1ccc(-c3ccccc3C#N)o1)C(C#N)=C(N)O2	4103300	LQCITFUQIIMVHZ-KRWDZBQOSA-N	343.346	3.068	50	50	EGGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C1\CCOc2ccccc21	38962329	LBRNXWFUCBAQGP-WREBDXAUSA-N	344.798	3.410	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(Br)cc1	196777	HUZOXHGQHRRACW-HNNXBMFYSA-N	342.196	3.249	50	50	EGGA	
Cc1cc(C)nc(SCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)n1	1875390375	PXNMNFFFQGHMPH-AVHIKLNVSA-N	344.484	3.114	50	50	EGGA	
O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccccc1O	2521746	CNHXJPXTVANFNM-QGMBQPNBSA-N	339.178	3.228	50	50	EGGA	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	291045	BCJMGYJJSYUJOI-IUOVYFEOSA-N	338.407	3.274	50	50	EGGA	
COc1ccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1	16133907	KGFXSXNEAVDFMR-MKFNJMOCSA-N	332.787	3.266	50	50	EGGA	
COc1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)[nH]n2)cc1	5297709	AZEBCUCYUIYEMV-VCHYOVAHSA-N	340.408	3.219	50	50	EGGA	
O=C(O)CCSSCCNC(=O)CCCc1cccs1	1875388554	GKHFEUSMSNZDGR-UHFFFAOYSA-N	333.500	3.043	50	50	EGGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccncc1	249789	QNLXJZLLXVTZNX-HYARGMPZSA-N	331.375	3.425	50	50	EGGA	
C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccccc1O	12362428	IVZOCNBTGRDAQY-CIAFOILYSA-N	346.390	3.035	50	50	EGGA	
CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccco3)c2C)cc1	8462936	AFCMOAOJQXWRCE-YBFXNURJSA-N	338.367	3.141	50	50	EGGA	
CC(C)(C)c1ccc(/C=N/NC(=O)Cn2cnc3ccccc32)cc1	228806	UURLUZVNOMOIGE-WSDLNYQXSA-N	334.423	3.484	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	59410	PQIKMQNXVDWROI-ZDUSSCGKSA-N	349.173	3.473	50	50	EGGA	
O=C(Cc1cccs1)N/N=C/c1cc(Br)ccc1F	448792	LJYPDEUZDGXMAP-LZYBPNLTSA-N	341.205	3.343	50	50	EGGA	
N#CCCN(C(=O)C(C#N)=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	2049286354	XTYYRKVMPPBDCQ-UHFFFAOYSA-N	346.346	3.449	50	50	EGGA	
Br[C@H]1CCCCC[C@@H](Br)C12OCCO2	1729161	OQCIVOUQHXUSEL-DTORHVGOSA-N	328.044	3.221	50	50	EGGA	
CCOC(=O)C(=O)[C@H](Br)c1ccc(C(F)(F)F)cc1	261509027	ZDRZVQGBZCJVOI-SECBINFHSA-N	339.107	3.274	50	50	EGGA	
CC(=O)Oc1ccccc1C[C@@H](Br)CBr	142851355	ZTPVXZYMCGHHBL-SNVBAGLBSA-N	336.023	3.313	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O1	77672	RNWNVIURAGIWKU-HNNXBMFYSA-N	330.359	3.249	50	50	EGGA	
Cc1ccccc1NCC(=O)N/N=C\c1cccc(Br)c1	32593015	IGJAFEPLBZEEGU-GRSHGNNSSA-N	346.228	3.320	50	50	EGGA	
O=C(NNc1cnccn1)C1(c2ccc(Cl)c(Cl)c2)CCC1	170653538	GNAVFSNJZSNMDR-UHFFFAOYSA-N	337.210	3.348	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1F	62997	DTUQCULWDKBEAS-HNNXBMFYSA-N	330.334	3.416	50	50	EGGA	
O=C(O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	8034728	FLYPZWDELZKIOY-UHFFFAOYSA-O	335.363	3.455	50	50	EGGA	in-vitro
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@H]2c1coc2ccccc12	5231361	ODYBAMYTZNZTME-KRWDZBQOSA-N	333.391	3.457	50	50	EGGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NNC(=S)Nc1ccccc1	163557	QGTRSRAEDREHDP-NSHDSACASA-N	349.843	3.125	50	50	EGGA	
Cc1ccc(Cl)c(OCC(=O)NNC(=S)Nc2ccccc2)c1	2380793	MAVAHDURIYONDN-UHFFFAOYSA-N	349.843	3.045	50	50	EGGA	
COc1cccc(/C=N/NC(=O)CSc2ccccc2C)c1OC	354700	QQUVLLTVBHXFPR-YBFXNURJSA-N	344.436	3.255	50	50	EGGA	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1	13545854	KWTRHSBWDVUTFD-NURUNYDYSA-N	335.407	3.289	50	50	EGGA	
Cn1c(C[C@H](NC(=O)CCl)c2ccccc2)nc2ccccc21	1875362974	JMRFYNQCORWBLX-HNNXBMFYSA-N	327.815	3.212	50	50	EGGA	
O=C(N[C@@H](CCl)C(=O)O)OCC1c2ccccc2-c2ccccc21	2562521	NICWPULFDZCIBU-INIZCTEOSA-N	345.782	3.217	50	50	EGGA	
N#Cc1ccc(NNC(=O)c2ccc(O)c(F)c2)c(C(F)(F)F)c1	799746861	RHKALRHITLQVNY-UHFFFAOYSA-N	339.248	3.179	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1	230104	DRDUEDBZSVLIEB-XDHOZWIPSA-N	338.367	3.141	50	50	EGGA	
Cc1cc(C)nc(SCC(=O)N/N=C/C=C/c2ccccc2)n1	1740509	VPZMWWQUWBBGKL-XICJKMHVSA-N	326.425	3.001	50	50	EGGA	
C[C@H](Cn1cnc2ccccc21)C(=O)N/N=C/c1ccc(Cl)cc1	5570379	ZSKMJWWUJLHMOC-WVISFHDSSA-N	340.814	3.476	50	50	EGGA	
Cc1cccc(NC(=O)NNC(=O)c2sccc2-n2cccc2)c1	1394325	CGVYPOMGMBYPRY-UHFFFAOYSA-N	340.408	3.314	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccco1	13388181	FNXXKXKSVMINJC-VCHYOVAHSA-N	328.759	3.477	50	50	EGGA	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccc(Cl)cc1	5317909	TUIHXQYNBXGUAZ-VXLYETTFSA-N	326.787	3.148	50	50	EGGA	
O=C(NNC(=O)c1sccc1-n1cccc1)c1ccccc1Cl	5771718	WHMBPFDJOZNMFI-UHFFFAOYSA-N	345.811	3.267	50	50	EGGA	
CO[C@H](C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1	2860080	IZTNCBWFYRLVLC-KRWDZBQOSA-N	340.423	3.133	50	50	EGGA	
C[C@@]12[C@H](Br)[C@H]3[C@H]4C[C@H]5[C@@H]3[C@H]1[C@@](O)(c1ccccc1)[C@H]5[C@@H]42	245227686	SZCGKEUXKLALMI-BFIUIDMNSA-N	331.253	3.416	50	50	EGGA	
O=C(CCc1cnn(-c2ccccc2)c1)N1CCSSCC1	888092937	VJBZIZHNZHNBSE-UHFFFAOYSA-N	333.482	3.029	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1O)c1cccc(F)c1	298686	IEKRSTHPAYUBPL-CAOOACKPSA-N	337.148	3.058	50	50	EGGA	
C/C(=N/NC(=O)CNC(=O)c1ccccc1)c1ccc2ccccc2c1	4828714	AETOVAMXVOMBEQ-HAHDFKILSA-N	345.402	3.110	50	50	EGGA	
COc1ccc(C(=O)[C@H](Br)CN2CCCCC2)cc1	96026461	ZBGFKDZGLFUKMI-CQSZACIVSA-N	326.234	3.127	50	50	EGGA	
C[C@H](Cl)C(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1	1875375505	CLSIPPOUZFRYPE-SUMWQHHRSA-N	342.826	3.127	50	50	EGGA	
C=CCOc1ccccc1/C=N/NC(=O)COc1cc(C)ccc1C	2506305	COPPIXOLFZRPQP-FYJGNVAPSA-N	338.407	3.397	50	50	EGGA	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	2761193	MLLUSIIFNJZKHG-QGZVFWFLSA-N	337.423	3.203	50	50	EGGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]n2)cc1	1293837	XEBVXUSFXHGQHD-FYJGNVAPSA-N	347.422	3.215	50	50	EGGA	
CC(C)c1cc(C(=O)NNC(=S)NC2CCCCC2)cs1	373719	QSILFDMGCIMWMW-UHFFFAOYSA-N	325.503	3.313	50	50	EGGA	
O=C(CCCC(=O)OC(CCl)CCl)NC1CCCCCC1	4099677	OKOJZEVSAPIMRS-UHFFFAOYSA-N	338.275	3.385	50	50	EGGA	
CCC/C(=N\NC(=O)c1ccc(C(N)=O)cc1)c1ccc(Cl)cc1	13322310	ZGSBEKMRFVTCJI-LTGZKZEYSA-N	343.814	3.373	50	50	EGGA	
N#Cc1cccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)c1	799752874	HLMDGJUDSFMLMW-UHFFFAOYSA-N	330.269	3.206	50	50	EGGA	
Cc1occc1C(=O)N/N=C/c1cc(Br)ccc1F	232405	ZLWWRJRPZBUTHG-FRKPEAEDSA-N	325.137	3.254	50	50	EGGA	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)c1	9013414	DRKDYHFIRFNSSV-WOJGMQOQSA-N	340.408	3.301	50	50	EGGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(O)c(O)c1	238900	MZESTJYKBIDGMZ-REZTVBANSA-N	325.151	3.169	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1O)C1CCCCC1	510989	QIYKKQVDRSCYBZ-CXUHLZMHSA-N	325.206	3.185	50	50	EGGA	
O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1ccccc1Cl	2025408	FIINAEMLIMYSIW-GIJQJNRQSA-N	336.178	3.082	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](OCCCl)C[C@H]1[C@H]2Cl	169697178	GCFPUWPAGCMEBN-YTLHQDLWSA-N	346.098	3.073	50	50	EGGA	
CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B(O)O)c(F)ccc21	306146020	ZKSPJZIANXXTCN-UHFFFAOYSA-N	335.304	3.484	50	50	EGGA	
O=C1COc2c(C(=O)CCl)ccc(OCc3ccccc3)c2N1	91302242	BZZOXWZXEQFUKK-UHFFFAOYSA-N	331.755	3.018	50	50	EGGA	
CCOC(=O)CCOc1cccc(N(CCCl)CCCl)c1	1675161	HZQUKPICIGJHRE-UHFFFAOYSA-N	334.243	3.303	50	50	EGGA	
O=C(CN1CCCCCC1)N/N=C/c1cccc(Cl)c1Cl	4990398	NNYFHVWTVOCZHD-VCHYOVAHSA-N	328.243	3.320	50	50	EGGA	
CC(=O)C/C(C)=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	100291272	ZGXPTQBNIBCNCQ-QTCOBDOFSA-N	334.419	3.464	50	50	EGGA	
CCOP(=O)(OCC)[C@@H](Br)C(=O)OC(C)(C)C	141076008	YLZQCXBJSCWQHB-MRVPVSSYSA-N	331.143	3.315	50	50	EGGA	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccco1	34264	WFIGJQPHTVDSIS-HNNXBMFYSA-N	336.347	3.062	50	50	EGGA	
N#Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1	65578	JKBVPRRASABMQZ-VCHYOVAHSA-N	328.169	3.085	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(F)cc1	44583	IYVVHOGHQZNQAU-OAHLLOKOSA-N	334.306	3.150	50	50	EGGA	biogenic,in-vitro
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1OC	15219828	PRNHUYIQFPQOLW-UVTDQMKNSA-N	338.363	3.345	50	50	EGGA	
CCCCCCCC(=O)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	2865081	VDGCLWCILNTCTC-UHFFFAOYSA-N	341.795	3.370	50	50	EGGA	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccccc1	296592	PXEHDYYQHMJGNF-DEDYPNTBSA-N	333.347	3.296	50	50	EGGA	
N#CC1=C2S[C@@H]3CCCC[C@@]3(O)N2C(=O)[C@@H](C#N)C12CCCCC2	170622665	WEZAFGUZTDLBAS-DFHBCGBQSA-N	343.452	3.032	50	50	EGGA	
N#CC(C(=O)CN1CC[C@@H]2CCCC[C@H]2C1)=C1Nc2ccccc2N1	250541081	WFRPBXVKZBFGCV-GJZGRUSLSA-N	336.439	3.340	50	50	EGGA	
N#C/C(=C\c1ccc(F)c([N+](=O)[O-])c1)C(=O)Nc1ccc(F)cc1	178941694	HOSVXHBDYQYSNC-YRNVUSSQSA-N	329.262	3.419	50	50	EGGA	
COc1ccc(Br)c(/C=N/NC(=O)Cc2ccccc2)c1	437536	XCIQFULVJSJZGA-WOJGMQOQSA-N	347.212	3.151	50	50	EGGA	
CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2C)cc1	32593034	YZJWOOBQEHIFJG-HMAPJEAMSA-N	338.455	3.403	50	50	EGGA	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)CN3CCCCC3)cc2c1	5024137	KQRZRMJPGGHMSS-RGVLZGJSSA-N	344.846	3.133	50	50	EGGA	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc(O)cc1	5747190	XRSTZBAUIOVPLB-RGVLZGJSSA-N	326.396	3.353	50	50	EGGA	
C/C(=N\NC(=O)c1ccc2ccccc2n1)c1cccc([N+](=O)[O-])c1	12343214	SFONLNAEZCMMKU-UDWIEESQSA-N	334.335	3.297	50	50	EGGA	
O=C(CSCc1ccccc1Cl)NNC(=O)c1ccccc1	2868265	FBYUHCNTAFWYCF-UHFFFAOYSA-N	334.828	3.034	50	50	EGGA	
CC(=O)C/C(C)=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	100291271	ZGXPTQBNIBCNCQ-OMNSNBSWSA-N	334.419	3.464	50	50	EGGA	
ICCCCCCI	6843968	QLIMAARBRDAYGQ-UHFFFAOYSA-N	337.970	3.417	50	50	EGGA	in-vitro
Cc1cccc(NC(=O)NNC(=O)COc2ccc3ccccc3c2)c1	15934103	CRZBPFCPGKPFTE-UHFFFAOYSA-N	349.390	3.380	50	50	EGGA	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccncc1)Sc1ccccc12	432653	GCBPOXINTSMXFN-INIZCTEOSA-N	329.388	3.220	50	50	EGGA	
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1	4136024	CFXRIYNSCANIFJ-FYJGNVAPSA-N	349.394	3.024	50	50	EGGA	
O=C(CSc1ncccn1)N/N=C/c1c(Cl)cccc1Cl	233714	ATYIFWABTRPZRK-CNHKJKLMSA-N	341.223	3.026	50	50	EGGA	
CO[C@@H](C(=O)N/N=C/c1ccccc1Br)c1ccccc1	438960	RLBJYRWIKSRRNM-CLXYIWAZSA-N	347.212	3.287	50	50	EGGA	
O=C(NN=Cc1ccc(F)cc1)c1cc(Br)ccc1O	4530078	JXHWLIGREAFUQX-UHFFFAOYSA-N	337.148	3.058	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(F)c(F)c1	241927	FQRLGVZGQYKDPK-HNNXBMFYSA-N	330.334	3.416	50	50	EGGA	
CCOc1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1	6393577	JMDJLSLUBVECMV-UHFFFAOYSA-N	343.452	3.036	50	50	EGGA	
O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccco1	2100174	DCPJEKMXSQIGDR-DEDYPNTBSA-N	335.363	3.302	50	50	EGGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(C)o1	102294165	PTCOIAAXUQAKSO-DEDYPNTBSA-N	335.448	3.295	50	50	EGGA	
O=C(NNCc1ncc(C(F)(F)F)cc1Cl)c1ccccc1	263640141	ZBSYHXYJTLVCQX-UHFFFAOYSA-N	329.709	3.188	50	50	EGGA	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cccnc1	354793	DYWYZOHVZMMDSM-YBFXNURJSA-N	336.307	3.014	50	50	EGGA	
COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	42490	MBAIXQQWHWHLIA-AEFFLSMTSA-N	330.391	3.289	50	50	EGGA	
Cc1ccc([C@@H](C)CC(=O)NCCSSCCC(=O)O)cc1	1875388489	CYYBOTOWQYZNFG-ZDUSSCGKSA-N	341.498	3.461	50	50	EGGA	
C/C(=N\NC(=O)Cn1nnc2ccccc21)c1cccc2ccccc12	5620940	QUEDYLACBBSUNA-KGENOOAVSA-N	343.390	3.125	50	50	EGGA	
O=C(N/N=C\c1ccccc1Cl)c1cncc(Br)c1	16134237	KDPKVGATBDRSQG-IDUWFGFVSA-N	338.592	3.261	50	50	EGGA	
CCn1c(SCC(=O)N/N=C/c2cccs2)nc2ccccc21	55617	DKTDSUXYQFVXRI-LICLKQGHSA-N	344.465	3.360	50	50	EGGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)[nH]n1	297844	IOIZPIMDGDVPSU-RGVLZGJSSA-N	336.395	3.330	50	50	EGGA	
O=C(CCCOc1ccccc1F)NNC(=S)Nc1ccccc1	119909405	HXLANTBKAMZRPR-UHFFFAOYSA-N	347.415	3.003	50	50	EGGA	
O=C(N/N=C/NOCc1ccc(Cl)cc1)c1ccc(Cl)cc1	3041956	KZNLOBXHXDLNHG-UHFFFAOYSA-N	338.194	3.388	50	50	EGGA	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)c1	17070684	QWMFQYFYCJEVIV-RIYZIHGNSA-N	336.347	3.360	50	50	EGGA	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNC(=S)Nc2ccc(F)cc2)cc1	374499	PAJGZHLUKNFMGE-JKSUJKDBSA-N	343.427	3.255	50	50	EGGA	
O=C(N/N=C\c1ccccc1C(F)(F)F)c1n[nH]c2c1CCCC2	12375308	VLKIRLBQGIBESJ-UKWGHVSLSA-N	336.317	3.071	50	50	EGGA	
CC[C@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1	615853	OWBHLTPKRLPIAG-ZDUSSCGKSA-N	344.386	3.179	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1	8558627	ZRINUKYSMPURJG-VCHYOVAHSA-N	340.408	3.219	50	50	EGGA	
CCOC(=O)[C@H](/C(C)=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C(C)C	4587770	CHCWYMNYPFSZEB-WZACYJNZSA-N	330.428	3.118	50	50	EGGA	
C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1	286438	OMQUXHIOGGOPAF-HWQJWEFDSA-N	347.212	3.367	50	50	EGGA	
O=C(CCCCCCC(=O)NN=C1CCCC1)NN=C1CCCC1	5494805	WCBHSLQUSPAMJX-UHFFFAOYSA-N	334.464	3.419	50	50	EGGA	
ClC(Cl)[Si](c1ccccc1)(c1ccccc1)c1ccccc1	169815957	CNDSHIBVXBBBHW-UHFFFAOYSA-N	343.329	3.500	50	50	EGGA	
COc1ccccc1/C=C(\C#N)c1nn(-c2ccccc2)c(N)c1C#N	4481996	OQQDVXQZWCVIJH-RVDMUPIBSA-N	341.374	3.399	50	50	EGGA	
O=C(CCc1ccccc1)NNC(=S)Nc1ccc(Cl)cc1	6829458	QUULYHSYGRYOOT-UHFFFAOYSA-N	333.844	3.290	50	50	EGGA	
COc1cccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1OC	431486	MLMJRVLGRFGREG-YBFXNURJSA-N	332.787	3.050	50	50	EGGA	
CCCc1cc(C(=O)NNC(=O)Nc2cccc(C(C)=O)c2)cs1	610184	UFHSYPHELNSHAJ-UHFFFAOYSA-N	345.424	3.370	50	50	EGGA	
CCOC(=O)C(C[C@H](Br)c1ccccc1)C(=O)OCC	1760836	QNUOOZOJYQNGMC-ZDUSSCGKSA-N	343.217	3.255	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(=O)O	195974812	JUOLQJALRNXSKA-NEPJUHHUSA-N	345.512	3.471	50	50	EGGA	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccc2cccnc12	434897	DQOCSGNZPMUZQC-SRZZPIQSSA-N	339.782	3.417	50	50	EGGA	
O=C(NNC(=O)c1ccccc1O)Nc1ccc(Cl)c(Cl)c1	2143560	VUDLWAVSHACITA-UHFFFAOYSA-N	340.166	3.166	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1	207393	LGFXTVHAPCJDLD-UGSOOPFHSA-N	332.359	3.488	50	50	EGGA	
O=C(N/N=C\c1ccccc1[N+](=O)[O-])c1cccc(Br)c1	4949005	ZTIRRTQVEDLIAQ-SXGWCWSVSA-N	348.156	3.121	50	50	EGGA	
CC(C)(C)OC(=O)N/N=C(\Cc1ccccc1)NCc1ccco1	66323360	LRWUURORGVGWJT-UHFFFAOYSA-N	329.400	3.450	50	50	EGGA	
Cc1cc(NC(=S)NNC(=O)c2ccncc2)ccc1C(C)C	2543626	OLGDOTPIQVJUER-UHFFFAOYSA-N	328.441	3.145	50	50	EGGA	
COc1ccccc1/C=N\NC(=O)c1c(C)nc2ccc(Cl)cn12	4471385	RIKARFIMGHKBOR-OCKHKDLRSA-N	342.786	3.069	50	50	EGGA	
CC(C)N(C(=O)CCl)[C@H]1CCCN(C(=O)OC(C)(C)C)CC1	1875370031	YCQLPQZOKWYESS-ZDUSSCGKSA-N	332.872	3.252	50	50	EGGA	
Cc1cccc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	299242	DNSGZJWUQVNQHG-UHFFFAOYSA-N	340.423	3.133	50	50	EGGA	
CN(C(=O)CCl)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1	3150064	BDDHICIQWNCMRQ-UHFFFAOYSA-N	349.658	3.200	50	50	EGGA	
CC(C)c1ccc(NC(=S)NNC(=O)Cc2ccccc2)cc1	5944964	RFVIIUWVVQDWPH-UHFFFAOYSA-N	327.453	3.370	50	50	EGGA	
COc1cccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	299738	NMZWRXOEEWQKMS-UHFFFAOYSA-N	339.178	3.077	50	50	EGGA	
O=C(Cn1cnc2ccccc21)N/N=C/c1cccc(Cl)c1Cl	228789	FUHAVDRUQNSXCY-DNTJNYDQSA-N	347.205	3.493	50	50	EGGA	
O=C(N/N=C1/C(O)=Nc2ccccc21)c1ccc(Br)cc1	5731662	RRYPSYDRFZVLRK-UHFFFAOYSA-N	344.168	3.185	50	50	EGGA	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)cc2)[nH]n1	5402631	WTYDRXXEQCCYHU-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
COc1cc(C2(CNC(=O)CCl)CCCC2)ccc1OC(F)F	1875363814	AVLPYWNZAIZOIR-UHFFFAOYSA-N	347.789	3.463	50	50	EGGA	
C[C@@H](CO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	169833255	UZZUJVWXCWFVAK-KRWDZBQOSA-N	328.528	3.191	50	50	EGGA	in-vitro
Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2n1C	186677	NEEVMDSOKOFVKY-YBFXNURJSA-N	338.436	3.124	50	50	EGGA	
CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21	2392218	KNURFLJTOUGOOQ-UHFFFAOYSA-N	331.759	3.213	50	50	EGGA	biogenic,in-vitro
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(Cl)c1	2490482	UDYBGWRNCGLYJW-OAHLLOKOSA-N	330.771	3.151	50	50	EGGA	
CCOC(=O)C(=Cc1sccc1CBr)C(=O)OCC	2556255	ADBJZPBDGYLFRT-UHFFFAOYSA-N	347.230	3.153	50	50	EGGA	
O=C(N/N=C/c1ccc(Sc2ncccn2)o1)c1cccc(F)c1	200877019	DRXIKWHRYGIZNG-KEBDBYFISA-N	342.355	3.124	50	50	EGGA	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccc(-c2ccccc2)cc1	5731521	QNJJMQWGDDOUKR-UHFFFAOYSA-N	341.370	3.440	50	50	EGGA	
O=C(N/N=C/c1cccs1)C(=O)Nc1ccc(Cl)c(Cl)c1	2570480	UYDBTMARSAFJAX-FRKPEAEDSA-N	342.207	3.144	50	50	EGGA	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccnc1	438433	OHKQJEGTOCPDIP-YBFXNURJSA-N	336.307	3.014	50	50	EGGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)o1	201689	LIPDLTGCDYQOGO-UHLUBPPHSA-N	349.184	3.103	50	50	EGGA	
CC(C)(C(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl)n1cncn1	1391390	KGWNBBIADUXNNJ-VZUCSPMQSA-N	335.194	3.496	50	50	EGGA	
COC(=O)COc1ccccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1	5028035	DRKBIBDTCKCYKA-GDNBJRDFSA-N	347.374	3.487	50	50	EGGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2)cc1	4366573	TXEUDMMTZUQUPB-DEDYPNTBSA-N	326.396	3.177	50	50	EGGA	
CCCCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1	2272019	MWUZUYJWQJRTNC-UHFFFAOYSA-N	326.425	3.084	50	50	EGGA	
O=C(N/N=C/c1cccnc1)c1cc(-c2cccc3ccccc23)n[nH]1	2073418	UMUOCMOBGNYVHG-LPYMAVHISA-N	341.374	3.389	50	50	EGGA	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n[nH]1	9108880	DOYZUZNMJNAXKH-KEBDBYFISA-N	326.306	3.119	50	50	EGGA	
O=C(N/N=C/[C@@H]1C[C@H]2C[C@H]1[C@](F)(Cl)[C@]2(F)Cl)c1ccncc1	252469987	GCUBGKBZRMEWRJ-MJMMQBAQSA-N	348.180	3.262	50	50	EGGA	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)cn1	4676702	LJZGCHGCUWZGPY-NHDPSOOVSA-N	349.346	3.112	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@@H](C)[C@H](c1ccccc1Cl)n1cccn1	1875376211	PBRYLHUWYHMXGM-COPLHBTASA-N	326.227	3.258	50	50	EGGA	
Cc1nnsc1C(=O)NNc1c2ccccc2nc2ccccc12	4309981	UVJHMRDZWVKJPW-UHFFFAOYSA-N	335.392	3.305	50	50	EGGA	
CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccco3)n[nH]2)cc1	6380863	AHWCPIIKQFGMGP-XDHOZWIPSA-N	338.367	3.222	50	50	EGGA	
O=C1C=C(NNC(=O)c2ccc(Cl)cc2)C[C@@H](c2ccco2)C1	441148	LGLZXCYHOQESPA-GFCCVEGCSA-N	330.771	3.198	50	50	EGGA	
CC(C)Oc1cccc(C(=O)NNC(=O)Nc2ccc(F)cc2F)c1	17072509	VYJKEWHXYINXRQ-UHFFFAOYSA-N	349.337	3.219	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2F)C(C#N)=C(N)O1	71028	IXUZGTKABZUDOP-HNNXBMFYSA-N	330.359	3.251	50	50	EGGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Br)o1	201685	LIPDLTGCDYQOGO-WPPNPWJKSA-N	349.184	3.103	50	50	EGGA	
Cc1cc(C)cc(O[C@H](C)C(=O)N/N=C/c2ccc(N(C)C)cc2)c1	93933	PBMPMCKIGYVELX-WMRWHDLOSA-N	339.439	3.287	50	50	EGGA	
[C-]#[N+][C@@H](c1cccc(OC)c1OC)S(=O)(=O)c1ccc(C)cc1	100009562	AVQXJHWREIZUKB-QGZVFWFLSA-N	331.393	3.404	50	50	EGGA	
N#CC(C1=N[C@H](c2ccccc2)CO1)=C1N[C@H](c2ccccc2)CO1	1857790613	QVVGSAYHUSBCQV-ROUUACIJSA-N	331.375	3.253	50	50	EGGA	
CCOC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1F	302185	MHZNQBRIUOEGKY-STQMWFEESA-N	334.372	3.157	50	50	EGGA	
CCSc1nnc(N[C@]2(C(F)(F)F)C(O)=NC(C)=C2C#N)s1	40283891	RIKNCZMKIKAHEJ-JTQLQIEISA-N	349.363	3.131	50	50	EGGA	
O=C(CCCl)OCCCCCCOc1ccc(C(=O)O)cc1	95933673	YZNWEIUTUQFLLH-UHFFFAOYSA-N	328.792	3.496	50	50	EGGA	
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@@H]1c1ccccc1	20436974	SUSBFZHHWMBMLU-RXVVDRJESA-N	347.418	3.464	50	50	EGGA	
Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)CCl)n2c1	1262218639	NZNYJGUCUBTCJL-UHFFFAOYSA-N	331.778	3.304	50	50	EGGA	
C/C(=N\NC(=O)[C@@H]1[C@H]2CCC=CCC[C@H]21)c1cccc([N+](=O)[O-])c1	257345570	BRCHFXZUHOEWIR-ARLJAJORSA-N	327.384	3.427	50	50	EGGA	
O=C(CCc1cccc(O)c1)N1CCC2(CC1)C[C@@H]2Br	1775998758	IGORWRDKWJXQDG-AWEZNQCLSA-N	338.245	3.101	50	50	EGGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc(O)cc1O	95635	WOGWFAMGZACBEW-REZTVBANSA-N	325.151	3.169	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cc(Br)cs1	242279	PIFWSVNMIQBKFV-ZDUSSCGKSA-N	349.209	3.434	50	50	EGGA	
CCOC(=O)[C@H]1C(O)=NC(SC)=C(C#N)[C@@H]1c1ccccc1F	302188	MHZNQBRIUOEGKY-QWHCGFSZSA-N	334.372	3.157	50	50	EGGA	
CO[C@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	434485	HTBFLNNOIRPPMG-ZNBBLSJYSA-N	347.758	3.086	50	50	EGGA	
C[C@H](Cl)C(=O)NC[C@H]1c2ccccc2C(=O)N1Cc1ccccc1	1875375503	CLSIPPOUZFRYPE-GUYCJALGSA-N	342.826	3.127	50	50	EGGA	
Cc1nn(CCCl)c(C)c1C(=O)N1Cc2ccccc2C2(CC2)C1	187293181	LDQWOYPRBNFKBJ-UHFFFAOYSA-N	343.858	3.426	50	50	EGGA	
CCOC(=O)c1c(C)n(CCBr)c2ccc(O)cc12	54896	PJAYFHMHOAWDPS-UHFFFAOYSA-N	326.190	3.227	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)c(F)c1	241932	FQRLGVZGQYKDPK-OAHLLOKOSA-N	330.334	3.416	50	50	EGGA	
CC[C@H](Nc1ccccc1)C(=O)N/N=C/c1ccc(OC)cc1OC	252493	ZZGXWSVYTLYTAH-NNIWKIFQSA-N	341.411	3.045	50	50	EGGA	
Cc1ccc(S(=O)(=O)O[C@@H]2CCCC[C@H]2Br)cc1	1591977	BFTYQNCPCZHZSQ-CHWSQXEVSA-N	333.247	3.406	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cc(Br)cs1	240975	ZZAJVZYTQGIFTB-ZDUSSCGKSA-N	348.225	3.311	50	50	EGGA	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1O	443480	RXCYAONRFRVNFA-IZZDOVSWSA-N	344.754	3.305	50	50	EGGA	
C[C@H](Cl)C(=O)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21	1403268	CNTWYKFJBJYCOD-HSHIVQNRSA-N	328.755	3.240	50	50	EGGA	
O=C(N/N=C/c1cc(Cl)c(O)cc1Cl)c1ccc(O)cc1	1775994727	SDUSXFQWWDCOBE-REZTVBANSA-N	325.151	3.169	50	50	EGGA	
CCOC(=O)[C@@H]1CC2[C@H]3CC=CC[C@H]2C3C[C@@H](Br)C1=O	257356349	HOAXNDJNGKTXOR-QRTGWHAESA-N	341.245	3.121	50	50	EGGA	
O=CNC(=C(Cl)Cl)P(=O)(c1ccccc1)c1ccccc1	1472285	XCBVXVMUYBGGHZ-UHFFFAOYSA-N	340.146	3.351	50	50	EGGA	
CC(C)(C)OC(=O)N/N=C(/COc1ccccc1)NC1CCCC1	66323347	TZZUNEMMZKTPKQ-UHFFFAOYSA-N	333.432	3.436	50	50	EGGA	
Cc1nc(C2CCCC2)sc1C(=O)NNc1ccc(Cl)nn1	170644271	XNLNQYFJAAEAOL-UHFFFAOYSA-N	337.836	3.309	50	50	EGGA	
O=C(Cn1cnc2ccccc21)N/N=C/c1ccc(Cl)cc1Cl	139009	XFTNSWZWHGUCIA-DNTJNYDQSA-N	347.205	3.493	50	50	EGGA	
Cl[C@@H]([C@H](Cl)n1nnc2ccccc21)n1nnc2ccccc21	1027662	UIAREUJWMRPZCP-ZIAGYGMSSA-N	333.182	3.351	50	50	EGGA	
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2F)C(C#N)=C(N)O1	77661	CPZOADGANXVFGD-OAHLLOKOSA-N	330.359	3.249	50	50	EGGA	
CC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Br)c1	284824	HDEOPXGRYOFKSP-AWEZNQCLSA-N	333.185	3.120	50	50	EGGA	
C/C(CCn1c(=O)sc2ccccc21)=N\NC(=O)c1ccccc1	5370419	YDTJKRGRXKZKAC-CPNJWEJPSA-N	339.420	3.259	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(Br)s1	293190	XTEDNZLRWWMLHU-CYBMUJFWSA-N	348.225	3.311	50	50	EGGA	
O=C(NNc1ccccc1C(F)(F)F)c1cc(O)ccc1[N+](=O)[O-]	225703410	XJVUZLPQJAYJKN-UHFFFAOYSA-N	341.245	3.076	50	50	EGGA	
C[C@@H](Cn1cnc2ccccc21)C(=O)N/N=C/C=C/c1ccccc1	5570316	QWKLAMKTYTUZLW-JJMZIDGTSA-N	332.407	3.488	50	50	EGGA	
Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	290508	ZFKXNGXCMAEZRY-INIZCTEOSA-N	330.343	3.320	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1	5296164	KOGWXCBYKQLNCC-UDWIEESQSA-N	334.379	3.158	50	50	EGGA	
CCCCNC(=S)NNC(=O)c1cc(C2CC2)nc2ccccc12	6853413	AUWMAOQAGKAHLI-UHFFFAOYSA-N	342.468	3.021	50	50	EGGA	
COc1ccccc1O[C@@H](C)C(=O)N/N=C/c1ccc(Cl)cc1	35653643	RPLHLSIUDAIKJY-MKFNJMOCSA-N	332.787	3.266	50	50	EGGA	
Cc1c(I)cccc1C(=O)CBr	1772820777	LWIJFIZBYAWPCM-UHFFFAOYSA-N	338.970	3.177	50	50	EGGA	
O=C(Nc1cc(Br)c2c(c1)OCCCO2)[C@@H](F)Cl	2325898551	KDKXEGAJDHIWBZ-SNVBAGLBSA-N	338.560	3.083	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2F)C(C#N)=C(N)O1	71029	IXUZGTKABZUDOP-OAHLLOKOSA-N	330.359	3.251	50	50	EGGA	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccccc1)C(C#N)=C(N)O2	273746	XWZAWPMDEPDHEE-IBGZPJMESA-N	342.402	3.458	50	50	EGGA	
Cc1sc2c(c1C)c(=O)nc1n2[C@@H](CBr)CS1	332823	QTGZHFHNYFOMOC-ZETCQYMHSA-N	331.260	3.117	50	50	EGGA	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)(C)C)c21	5130777	AKZQJMZVWFXCKO-CQSZACIVSA-N	338.411	3.324	50	50	EGGA	
Cn1nc2c(c1/C=N/NC(=O)Nc1ccc(Cl)cc1)CSCC2	2325761532	PSVIOUOBHZESRN-CAOOACKPSA-N	349.847	3.018	50	50	EGGA	
C[C@H](Cl)C(=O)NCc1cccc(-c2nc(CC(F)(F)F)no2)c1	1875375826	JIAISCQSIIRSLR-QMMMGPOBSA-N	347.724	3.085	50	50	EGGA	
O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(O)cc1	2521700	PCUHHPBBXJAVRQ-QGMBQPNBSA-N	339.178	3.228	50	50	EGGA	
O=C(O)Cc1ccc(NC(=O)C[C@H](Cl)SCCCl)cc1	2028243	XJOVNZGEGQFWGO-LLVKDONJSA-N	336.240	3.179	50	50	EGGA	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2Cl)c1	2893196	XJISINFRLIPTMH-VXLYETTFSA-N	329.787	3.046	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1O)Nc1ccccc1	271125	DOAJNHUFWUGQRR-CXUHLZMHSA-N	334.173	3.310	50	50	EGGA	
CCOc1cc(/C=N/NC(C)=O)ccc1OCc1ccccc1C#N	459803	ZVCBUPLGXAYPHN-CIAFOILYSA-N	337.379	3.006	50	50	EGGA	
C[C@H](Oc1cccc([N+](=O)[O-])c1)C(=O)N/N=C/c1ccc(Cl)cc1	19928039	OMUVHFDPKGOKLZ-HPAYWCODSA-N	347.758	3.166	50	50	EGGA	
C=CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	4372833	ROQGOBPIRWPLOI-UDWIEESQSA-N	344.798	3.434	50	50	EGGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	156779	LLVPDKFKQVRHGM-MRXNPFEDSA-N	346.342	3.020	50	50	EGGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	156782	LLVPDKFKQVRHGM-INIZCTEOSA-N	346.342	3.020	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2	206564	PDFRDMWUCOVRCW-CYBMUJFWSA-N	349.173	3.473	50	50	EGGA	
N#C/C(=C\N)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102315673	FCPWXXZBRZWJKZ-LTGZKZEYSA-N	329.363	3.304	50	50	EGGA	
CC/C(=N\NC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1	4611141	VZNCFTWWLBCRDV-DYTRJAOYSA-N	335.407	3.358	50	50	EGGA	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccccc1)Nc1cccc(Cl)c1	1227556	JNHKZYCUYSFOQI-LSDHHAIUSA-N	329.787	3.296	50	50	EGGA	
CCCCCCCC(=O)N/N=C(/C)CN1C(=O)c2ccccc2C1=O	59727616	JKHKPMJWVLLXEI-ZHZULCJRSA-N	343.427	3.135	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)CNC(=O)c2cccc3ccccc23)cc1	4282917	XNAVBXIBXPTUIJ-YDZHTSKRSA-N	345.402	3.028	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccccc1	443774	TZHOXPGRQKCHJW-ACJLOTCBSA-N	332.359	3.488	50	50	EGGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@H]3CC=CCC3)[C@H]2C1	225186683	OLOXGWIQPRRHEL-ZYSHUDEJSA-N	347.466	3.011	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1C(=O)O	169794898	JUOLQJALRNXSKA-VXGBXAGGSA-N	345.512	3.471	50	50	EGGA	
CCOC(=O)[C@H](/C(C)=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)C(C)C	4587772	CHCWYMNYPFSZEB-ZHJRKJLJSA-N	330.428	3.118	50	50	EGGA	
Cc1ccc2occ(/C=N/NC(=O)c3csc(C)c3)c(=O)c2c1	2744055	QIHCKMFSVHDNIW-CNHKJKLMSA-N	326.377	3.235	50	50	EGGA	
C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(O)cc1O	4499078	KFDBOYFAKNAYPY-RQZCQDPDSA-N	349.184	3.014	50	50	EGGA	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(N(C)C)ccc21	182760	KJDUDNAIMFWPEI-IBGZPJMESA-N	335.407	3.369	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1	232828	HRZWPJYPEKLMLV-UDWIEESQSA-N	334.379	3.109	50	50	EGGA	
CC(=O)O[C@@H](C(=O)C(C#N)=C1Nc2ccccc2N1)c1ccccc1	5668855	VDWUQZGGHUIJRN-GOSISDBHSA-N	333.347	3.133	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccoc1	207858	KVJKZPIMYZVRCS-KSSFIOAISA-N	332.359	3.488	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Br)C[C@H]1[C@H]2Cl	245234672	CQNJIVNXDXPYJU-KLVWXMOXSA-N	346.496	3.212	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)COc1c(C)cc(C)cc1C	301157	JMPDJWCHKVSFHE-RGVLZGJSSA-N	326.396	3.150	50	50	EGGA	
CC(C)(C)OC(=O)N1CC(CBr)(CBr)C1	409432919	PTPMUVBEPVNPSQ-UHFFFAOYSA-N	343.059	3.013	50	50	EGGA	
Cc1occc1C(=O)NNC(=O)Nc1cccc(Cl)c1Cl	610903	CULGMNLVDYLFKR-UHFFFAOYSA-N	328.155	3.361	50	50	EGGA	
C/C=C1\C[N@@+]2(C)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1c(OC)cccc14	253487853	RYFUCGCTWTVHMS-QOXAUEOMSA-O	337.443	3.010	50	50	EGGA	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)S(=O)(=O)c1ccccc1	609432	SJIBTSBKMGYISC-AWNIVKPZSA-N	347.779	3.407	50	50	EGGA	
CC(C)(C)OC(=O)N1CCC(CI)CC1	26896064	RSMNYTJCWIDZAH-UHFFFAOYSA-N	325.190	3.069	50	50	EGGA	in-vitro
O=[N+]([O-])c1cccc(CBr)c1I	237999459	PWKXJTQCUOPBHG-UHFFFAOYSA-N	341.930	3.094	50	50	EGGA	
CC[C@@H](Br)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1	40075	JSTSRHVJJDTSLL-SECBINFHSA-N	340.626	3.159	50	50	EGGA	
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2	197231	AXTXEHITDLDTIP-GOSISDBHSA-N	344.374	3.105	50	50	EGGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	286297	IWZQYXRHIISGSK-HPAYWCODSA-N	347.758	3.166	50	50	EGGA	
C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)C(=O)O	25558844	AFBKTLQOJMZBPP-DEDYPNTBSA-N	348.443	3.356	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccccc1O	13647166	NZOZVBZTCOGKFI-WOJGMQOQSA-N	340.408	3.306	50	50	EGGA	
CCOC(=O)[C@H](Br)[C@H](Br)c1ccccc1	1706970	CCYOCUPSKJUNMD-NXEZZACHSA-N	336.023	3.449	50	50	EGGA	biogenic,in-vitro
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NC[C@H]1CCCO1	265677	KBTMNDJGNJJXSM-ASJRZHAZSA-N	325.195	3.196	50	50	EGGA	
O=C(N/N=C/c1ccco1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	6813608	GAGKJNXHIOSQSP-RGVLZGJSSA-N	338.411	3.234	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1	59238	REGVRZFJZIFZPM-OAHLLOKOSA-N	330.409	3.053	50	50	EGGA	
C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccccc1O	4956220	OQDUBUFLTCXTPG-HADWXUJASA-N	334.375	3.463	50	50	EGGA	
O=C(NNC(=O)c1sccc1-n1cccc1)Nc1ccc(F)cc1	1394330	KRVWWNDBGAFFIG-UHFFFAOYSA-N	344.371	3.144	50	50	EGGA	
CCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1	566415	NZSRMRLGOFGAJC-YBFXNURJSA-N	332.787	3.268	50	50	EGGA	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)NC12CC3CC(CC(C3)C1)C2	4737403	GWGVWEIPYTZLRR-YBFXNURJSA-N	342.399	3.197	50	50	EGGA	
CCOc1ccc(/C=N\NC(=O)c2c(C)nc3cc(C)ccn23)cc1	31853593	HTBPCKRRQMXMNX-NDENLUEZSA-N	336.395	3.114	50	50	EGGA	
O=C(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	68572450	HDVGMDBHTBNCLT-UHFFFAOYSA-N	328.052	3.381	50	50	EGGA	in-vitro
COc1cc2c(cc1OC)[C@H](C)N(C(=O)[C@@H](C)Cl)C[C@H](C)C2	1875377771	NCVVYFWZJACYJZ-UTUOFQBUSA-N	325.836	3.413	50	50	EGGA	
COc1ccc2[nH]c(/C(C#N)=C\c3cc4c(cc3OC)OCO4)nc2c1	5028342	FCXBRBPYSUHOPX-XGICHPGQSA-N	349.346	3.373	50	50	EGGA	
O=C(N/N=C/c1cccc(F)c1)C(=O)Nc1cccc2ccccc12	4287009	XPZYMQJSGLLPAP-CIAFOILYSA-N	335.338	3.068	50	50	EGGA	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br	6667408	ILGCMRVPWYNXGE-UHFFFAOYSA-N	336.145	3.114	50	50	EGGA	
COc1ccc2c(c1)CCC/C2=N\NC(=O)[C@@]1(C)CC1(Cl)Cl	17071337	VGRRWFJMINGLIH-DQPIFXJKSA-N	341.238	3.436	50	50	EGGA	
C[C@H](CC(=O)[C@H]1[C@H](C)C=CCC1(C)C)NNC(=O)c1ccccc1O	5043377	QEQGNBJQSYVHJZ-HBUWYVDXSA-N	344.455	3.213	50	50	EGGA	
CC(C)(C)c1n[nH]c2c1[C@H](c1cc(F)ccc1F)C(C#N)=C(N)O2	472341	XYLHBIHLNNETJW-GFCCVEGCSA-N	330.338	3.204	50	50	EGGA	
COc1ccc(C)cc1NC(=O)NNC(=O)c1ccc(Cl)cc1	1754096	ZMWKYFMRCPHSKL-UHFFFAOYSA-N	333.775	3.124	50	50	EGGA	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1	4615045	KWTRHSBWDVUTFD-AKVUPHRLSA-N	335.407	3.289	50	50	EGGA	
COC(=O)[C@@H]1C[C@H](Cl)CN1c1ncc(C(F)(F)F)cc1Cl	20218536	PPEKBMWOZHUDPV-CBAPKCEASA-N	343.132	3.113	50	50	EGGA	
C/C=C1\C[N@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(OC)cccc14	252462390	RYFUCGCTWTVHMS-BEYIPGPDSA-O	337.443	3.010	50	50	EGGA	biogenic
CC1(C)C/C(=N\NC(=O)c2nnc(O)c3ccccc23)c2ccccc21	1875256082	IPDPASPBAMFQQP-LTGZKZEYSA-N	346.390	3.151	50	50	EGGA	
O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1cccnc1	181653	ABVRUNQLPHWJNQ-HZHRSRAPSA-N	346.434	3.456	50	50	EGGA	
Cc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1	249462	KVDIHWYONRZPDN-RQZCQDPDSA-N	333.185	3.227	50	50	EGGA	
CCc1n[nH]c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	18123148	BNXYAZWVIZTSCD-LLVKDONJSA-N	335.194	3.497	50	50	EGGA	
CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(O)cc2)cc1	4366527	AGJFRXHRNIUVJP-DEDYPNTBSA-N	342.395	3.100	50	50	EGGA	
O=C([C@H](F)Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1	2325898013	PKRDTBFBQPRQBO-NSHDSACASA-N	348.230	3.133	50	50	EGGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1O	102293605	DLCYGVKTOWPFOT-KGENOOAVSA-N	347.459	3.099	50	50	EGGA	
CSC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1	19883146	QWPHNUFCZIPGPY-MRXNPFEDSA-N	340.404	3.207	50	50	EGGA	
CC(C)(C)[Si](C)(C)Oc1ccc(-c2ccc(B(O)O)cc2)cc1	169955166	ZIKZPBVNZYGTDB-UHFFFAOYSA-N	328.293	3.417	50	50	EGGA	
Cc1cccc(NCCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1	2996048	FQBCVFURVSLVDR-DEDYPNTBSA-N	340.383	3.246	50	50	EGGA	
CC(C)N(Cc1ncc(-c2ccc3c(c2)OCO3)[nH]1)C(=O)[C@@H](C)Cl	1875364058	AYFJAQCNNGLHTD-LLVKDONJSA-N	349.818	3.170	50	50	EGGA	
Cc1ccsc1/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2	230948	MGSPXGHTNUDLKH-VXLYETTFSA-N	336.420	3.309	50	50	EGGA	
C[C@H]1CC/C(=N\NC(=O)c2nnc(O)c3ccccc23)c2ccccc21	1875252336	YDBYZGFBKLWZKV-VHJQFCBJSA-N	346.390	3.367	50	50	EGGA	
COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccco2)[nH]n1	4135921	JHBLCZRYGJRHFA-XLWYYFMFSA-N	336.351	3.107	50	50	EGGA	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccncc2)C(C#N)=C(S)N1	4634853	KDOHGNNDFWVOMY-QGZVFWFLSA-N	348.431	3.346	50	50	EGGA	
CCC[C@H](NC(=O)CCl)c1ncc(-c2ccc3c(c2)OCO3)[nH]1	1875363994	GZNMYAARVXTSSC-NSHDSACASA-N	335.791	3.002	50	50	EGGA	
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccncc1	434878	FGGMPDLIMIWGLB-DJKKODMXSA-N	343.184	3.089	50	50	EGGA	
CCCCc1[nH]nc2c1[C@H](c1ccc(F)cc1F)C(C#N)=C(N)O2	5045035	SEOLQMOMABPZHY-CQSZACIVSA-N	330.338	3.249	50	50	EGGA	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)[C@@H](F)Cl)ccc1Cl	1265399	UEOLELDGRNXCJA-SSDOTTSWSA-N	338.090	3.149	50	50	EGGA	
COc1ccccc1S(=O)(=O)C[C@@H](SC#N)c1ccccc1	81552	XJHQLRXQLZDXKD-OAHLLOKOSA-N	333.434	3.424	50	50	EGGA	
O=C(Cn1cnc2ccccc21)N/N=C/c1c(Cl)cccc1Cl	228803	JTUJLTFTTOBVHB-DNTJNYDQSA-N	347.205	3.493	50	50	EGGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(Br)cc2)[nH]n1	18163924	RIHFNTINAXGVFE-RQZCQDPDSA-N	349.232	3.234	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)C2CCN(Cc3ccccc3)CC2)cc1	6190042	CRPAYSRVKIIIBO-PXLXIMEGSA-N	335.451	3.357	50	50	EGGA	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	445396	GOIJSLZYKDOICR-UKTHLTGXSA-N	326.327	3.389	50	50	EGGA	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1	4329582	XAIGAZBZINRASI-FYJGNVAPSA-N	331.375	3.237	50	50	EGGA	
CCOC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@H]1c1ccccc1	28070	SUSBFZHHWMBMLU-WIYYLYMNSA-N	347.418	3.464	50	50	EGGA	
Cc1ccc(S(=O)(=O)O[C@H]2CCCC[C@@H]2Br)cc1	1591978	BFTYQNCPCZHZSQ-STQMWFEESA-N	333.247	3.406	50	50	EGGA	
CN(C)c1ccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1	3898757	NJPGMYONWBKRNC-FYJGNVAPSA-N	340.471	3.355	50	50	EGGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=S)Nc1ccccc1	163559	QGTRSRAEDREHDP-LLVKDONJSA-N	349.843	3.125	50	50	EGGA	
Cc1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)cc1	32614480	UTUCBXRLDVSTBZ-YOYPMJMESA-N	346.386	3.438	50	50	EGGA	
Cc1ccc(NC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)cc1	17068766	JWIPQAKPJXXGAB-UHFFFAOYSA-N	334.379	3.252	50	50	EGGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3CC=CCC3)[C@@H]2C1	229192019	OLOXGWIQPRRHEL-ATZDWAIDSA-N	347.466	3.011	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1	5319186	SMUXGZWARUNPKN-XDHOZWIPSA-N	349.350	3.139	50	50	EGGA	
CCc1cc(C(=O)NNC(=S)N[C@H](C)c2ccccc2)cs1	8680991	WIPAGOGFHXBNMN-LLVKDONJSA-N	333.482	3.181	50	50	EGGA	
CCOC(=O)[C@@H]1CC2[C@H]3CC=CC[C@H]2C3C[C@H](Br)C1=O	257356347	HOAXNDJNGKTXOR-CKALHPCPSA-N	341.245	3.121	50	50	EGGA	
CCOc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(Cl)c1O	298784	LELNUMZAIJIZIN-DJKKODMXSA-N	336.750	3.347	50	50	EGGA	
Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=O)c1	2531446	MHDBWZULJXXVQD-WSDLNYQXSA-N	347.374	3.370	50	50	EGGA	
C[C@H](Cc1ccccc1)N/C(N)=C(C#N)/C=C1\Nc2ccccc2C1=O	55464711	KSGHTUPMCHOWEM-OIXFOVHDSA-N	344.418	3.093	50	50	EGGA	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1	1427039	QWEZLAUOIJSXOS-KRWDZBQOSA-N	343.386	3.065	50	50	EGGA	
O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Cl)cc2)n[nH]1	6813659	BCFQJUSADPSLMY-VXLYETTFSA-N	340.770	3.200	50	50	EGGA	
C[C@]1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1(Cl)Cl	2103125	NLGKCIMXCCWZKC-LLVKDONJSA-N	336.606	3.077	50	50	EGGA	
Cc1cccc(OCC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1C	370856	YYTPYSMNVOTSGR-UHFFFAOYSA-N	347.802	3.189	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@@H](CO)[C@H](CO[Si](C)(C)C(C)(C)C)C1	201670183	NEQWPSWFXDNURG-KBPBESRZSA-N	345.556	3.484	50	50	EGGA	
CC(C)(C)C[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccco3)c2C1	5295986	QFELJSWFNCCZHL-MKFNJMOCSA-N	328.416	3.308	50	50	EGGA	
O=C(O)CC/C(=N/NC(=O)c1c[nH]c2ccccc12)c1ccccc1	4611272	JEQGSSXFQBRJID-PGMHBOJBSA-N	335.363	3.167	50	50	EGGA	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](CO)Cc1ccccc1	179792300	IHAFXCZHJBAQLT-HZPDHXFCSA-N	339.526	3.420	50	50	EGGA	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1Cl)C(=O)NCc1ccccc1	447449	OCZBIHDXSXRBLR-RIYZIHGNSA-N	341.754	3.472	50	50	EGGA	
O=C(CSCc1ccccc1)NNC(=S)Nc1ccc(F)cc1	6529661	ZVWQNNILXXQTKT-UHFFFAOYSA-N	349.456	3.077	50	50	EGGA	
C[C@@H](Cl)C(=O)NCc1cnn(-c2ccccc2)c1C(F)(F)F	1875377439	DQDMCFIHAIDIEO-SECBINFHSA-N	331.725	3.135	50	50	EGGA	
NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	5775987	NALKTCYQNGGEQB-KEBDBYFISA-N	339.786	3.195	50	50	EGGA	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccncc1)Sc1ccccc12	432652	GCBPOXINTSMXFN-MRXNPFEDSA-N	329.388	3.220	50	50	EGGA	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(N)=S)cc2)cc1	2887420	DCCZBBQPJKEAOX-GXDHUFHOSA-N	338.388	3.107	50	50	EGGA	
O=C(NNc1ccc(Cl)nn1)[C@H]1C[C@@H]1c1c(F)cccc1Cl	129664322	PPLYWEMBYFITND-YUMQZZPRSA-N	341.173	3.169	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(O)cc3)[nH]n2)cc1	336908	ROSSUGGQGWLJRW-UDWIEESQSA-N	334.379	3.109	50	50	EGGA	
COc1ccc(C(=O)N/N=C/c2ccccc2Br)cc1	276149	RFLZPTUZRKQOMA-LICLKQGHSA-N	333.185	3.222	50	50	EGGA	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)OC)o1	5102943	PAQMXMMJFNSLMY-BENRWUELSA-N	325.320	3.203	50	50	EGGA	
C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1ccccc1	12362426	GXDYZHDSUXLLRU-FYJGNVAPSA-N	330.391	3.329	50	50	EGGA	
O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccc(O)cc1	58577	VRXRARQBURXCSM-YBFXNURJSA-N	337.404	3.183	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@H](Cc1nccn1C(F)F)c1ccccc1	1875363510	GLIMQVZSRHOLKU-CMPLNLGQSA-N	327.762	3.306	50	50	EGGA	
COc1cc(F)c(CBr)cc1B1OC(C)(C)C(C)(C)O1	169955903	ALHMWDFGZCCABB-UHFFFAOYSA-N	345.017	3.028	50	50	EGGA	
C[C@H](NC(=O)C(=O)N/N=C/c1cccc2ccccc12)c1ccccc1	2903537	JDVXXDJSONOEMM-WXUSHSQQSA-N	345.402	3.167	50	50	EGGA	
O=C(CCc1ccccc1)NNC(=S)Nc1ccccc1Cl	6829464	CEFZMOLCHJSUTL-UHFFFAOYSA-N	333.844	3.290	50	50	EGGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2cccc(Br)c2)[nH]n1	264680	FPWNPDGLXFTAHR-RQZCQDPDSA-N	349.232	3.234	50	50	EGGA	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccccc2F)c1	1960239	YFCWOSWFWPFDLR-UDWIEESQSA-N	327.359	3.003	50	50	EGGA	
C[C@]1(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)C[C@H]1Br	252441049	CIGRASSTVHFEOB-ODKXIHAASA-N	345.301	3.112	50	50	EGGA	biogenic
COC(=O)[C@@H](Br)Cc1ccc(OC(F)(F)F)cc1	2559205	DGQGOJSRNVNZMF-VIFPVBQESA-N	327.096	3.064	50	50	EGGA	
C=CCOc1ccccc1/C=N/NC(=O)COc1cccc(Cl)c1	2897914	VKXBDJGEYPFBJJ-UDWIEESQSA-N	344.798	3.434	50	50	EGGA	
CCOC(=O)c1ccc2c(c1)N(CC)/C(=C\C=C(C#N)C#N)N2CC	685944219	CHEJNXIYJZBYTL-ZDLGFXPLSA-N	336.395	3.344	50	50	EGGA	
C[C@@H](Cl)C(=O)N1CCN([C@@H](c2ccccc2)C(F)(F)F)CC1	1875364936	YIMRBLXFXABSFP-YPMHNXCESA-N	334.769	3.062	50	50	EGGA	
O=C(N=c1ccn(Cc2c(Cl)cccc2Cl)[nH]1)[C@H](F)Cl	2325898628	OROBHSFVASMADV-NSHDSACASA-N	336.581	3.133	50	50	EGGA	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccccc1)C(C#N)=C(N)O2	273744	XWZAWPMDEPDHEE-LJQANCHMSA-N	342.402	3.458	50	50	EGGA	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(O)cc2)c1	345576	GQIZUJLUAYWFKR-RGVLZGJSSA-N	326.396	3.353	50	50	EGGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1Br	301078	ZKFYUPQWVBQWIN-CXUHLZMHSA-N	348.156	3.121	50	50	EGGA	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)cc1	445063	PCHVTIXBPSNUFD-GXDHUFHOSA-N	338.363	3.258	50	50	EGGA	
CCc1c(C(=O)NNC(=S)NC2CCCCC2)csc1C	13497005	WDFXYJJXPIAKFO-UHFFFAOYSA-N	325.503	3.061	50	50	EGGA	
CC(C)c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	286364	WSGVSFJEKGOPIC-YBFXNURJSA-N	341.367	3.247	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(F)cc1	12682186	PDOWAZGNWAUQAE-VCHYOVAHSA-N	328.372	3.431	50	50	EGGA	
O=C(/C=C/NNC(=O)c1cccc(Br)c1)c1ccccc1	2893244	GDQBPGBLCLCTPN-MDZDMXLPSA-N	345.196	3.080	50	50	EGGA	aggregator
CCn1ncc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1C	355873	ZOKFKTBYHRNZLD-UFWORHAWSA-N	348.834	3.011	50	50	EGGA	
C[C@@H](NC(=O)c1cc2ncc(CCCl)cn2n1)c1ccccc1	2736112	LREUSPPTIQTXMF-GFCCVEGCSA-N	328.803	3.002	50	50	EGGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2cc1O	59614	DHCRVZJQOJEOAB-YBFXNURJSA-N	335.319	3.218	50	50	EGGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc2c(c1)OCO2	37523	ZBINFPUNIFYTRQ-CIAFOILYSA-N	332.359	3.261	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)ccc1[N+](=O)[O-]	207960	IQEOCHUAQYQYOU-CQSZACIVSA-N	345.742	3.063	50	50	EGGA	
Nc1ccccc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl	2558744	IRTCFTCONSZBBX-UHFFFAOYSA-N	330.697	3.093	50	50	EGGA	
CCC[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)c1cc(F)ccc1F	1875298518	DDKBLIXTONUTNH-BNXPMYBGSA-N	344.365	3.263	50	50	EGGA	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])cc1Cl	256681	QZGWHRQJATVICU-DJKKODMXSA-N	342.742	3.493	50	50	EGGA	
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1	13940309	CFYFHYUIUOZIFU-ZSOIEALJSA-N	338.750	3.480	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccccc1	443777	TZHOXPGRQKCHJW-SCLBCKFNSA-N	332.359	3.488	50	50	EGGA	
O=C(NNC(=O)c1ccccc1O)Nc1cc(Cl)ccc1Cl	2143558	WGBHOLBHVOMYDM-UHFFFAOYSA-N	340.166	3.166	50	50	EGGA	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1	4946907	WTVYEXHJSWJBRT-UHFFFAOYSA-N	336.145	3.114	50	50	EGGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)o1	8558573	LYSKAIOIKHRVHR-GIJQJNRQSA-N	328.759	3.395	50	50	EGGA	
Cc1c(Cl)cccc1NC(=S)NNC(=O)Cc1ccccc1	5941572	XUNOEPGHJVHFPB-UHFFFAOYSA-N	333.844	3.209	50	50	EGGA	
Cc1ccccc1NC(=O)NNC(=O)COc1ccc2ccccc2c1	15934101	CITMRFYQPKYJMY-UHFFFAOYSA-N	349.390	3.380	50	50	EGGA	
CC[C@@H](Nc1ccccc1)C(=O)N/N=C/c1ccc(OC)cc1OC	252498	ZZGXWSVYTLYTAH-UOBPLZBXSA-N	341.411	3.045	50	50	EGGA	
N#CC(C(=O)CN1CC[C@H]2CCCC[C@H]2C1)=C1Nc2ccccc2N1	250541078	WFRPBXVKZBFGCV-CABCVRRESA-N	336.439	3.340	50	50	EGGA	
O=C(NNc1ccc(Cl)nn1)[C@H]1C[C@H]1c1c(F)cccc1Cl	129664122	PPLYWEMBYFITND-SFYZADRCSA-N	341.173	3.169	50	50	EGGA	
COc1cccc(/C=N/NC(=O)COc2cccc3ccccc23)c1	510706	DLSLMSIVBZJUNL-FYJGNVAPSA-N	334.375	3.378	50	50	EGGA	
COCc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OC	370857	MDJPHBZXWFFNCX-RGVLZGJSSA-N	346.814	3.188	50	50	EGGA	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc2c(c1)OCO2	301127	CCKMVRFVSIWIPF-SRZZPIQSSA-N	348.358	3.341	50	50	EGGA	
C[C@@H](NC(=O)c1ccccc1NC(=O)CCl)c1ccc(F)cc1	5675160	XEIDSHYFDWHDLP-LLVKDONJSA-N	334.778	3.494	50	50	EGGA	
CC1=C[C@@H](Cl)[C@H]2C[C@@]1(C)CN2S(=O)(=O)c1ccc(C)cc1	101137636	WIWVYAQQQPZHHB-OAGGEKHMSA-N	325.861	3.332	50	50	EGGA	
CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H]([C@@H]3CC=CCC3)[C@H]2C1	244748640	OLOXGWIQPRRHEL-AYOQOUSVSA-N	347.466	3.011	50	50	EGGA	
COc1ccc(S(=O)(=O)C[C@H](SC#N)c2ccccc2)cc1	81557	LCQDEWAQDZFVMJ-INIZCTEOSA-N	333.434	3.424	50	50	EGGA	
O=C(CCl)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCCC1	1875367684	DOUHWRLDXFQULN-CYBMUJFWSA-N	334.769	3.197	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)c(O)c1	95675	ISRFJSGSMHRMSJ-REZTVBANSA-N	325.151	3.169	50	50	EGGA	in-vitro
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc3c(c2)OCO3)s1	6788887	AOMWVIVMFXQHAY-NTUHNPAUSA-N	326.377	3.009	50	50	EGGA	
C/C=C1\C[N@@+]2(C)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1c(OC)cccc14	253487850	RYFUCGCTWTVHMS-AYZJAXATSA-O	337.443	3.010	50	50	EGGA	
CCc1cc(Cl)ccc1C(=O)NCCSSCCC(=O)O	1875388410	ADRNVDMTMZBBOL-UHFFFAOYSA-N	347.889	3.488	50	50	EGGA	
C[C@@H](Nc1cccc2ccccc12)C(=O)N/N=C/c1ccc(O)cc1O	234611	NAYITZBUKNMSTH-LNOXHEFASA-N	349.390	3.202	50	50	EGGA	
NNC(=O)COc1ccc(Oc2ccc(Cl)cc2Cl)cc1	155617	LAYHITMMIZLYGA-UHFFFAOYSA-N	327.167	3.154	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc(O)cc1	181410	LSEBPFLWLPNZKS-WOJGMQOQSA-N	340.408	3.306	50	50	EGGA	
CC(C)(C)[Si](C)(C)OCCn1cnc2c(N)nc(Cl)nc21	1775991513	FWQMBSQOCITCAR-UHFFFAOYSA-N	327.892	3.084	50	50	EGGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccc(Br)c1	51393	RZGFDXUWXRHQDK-OAHLLOKOSA-N	342.196	3.249	50	50	EGGA	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccnc1)Sc1ccccc12	501299	XQWADNGUCJNYGR-MRXNPFEDSA-N	329.388	3.220	50	50	EGGA	
O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccccn1	181660	VAGBEFJJOGALQA-HZHRSRAPSA-N	346.434	3.456	50	50	EGGA	
CC(C)c1ccc(/C=N/NC(=O)c2nn(C)cc2Br)cc1	132249	VQTAQCRSURQWKZ-CAOOACKPSA-N	349.232	3.070	50	50	EGGA	
O=C(NNC(=O)c1sccc1-n1cccc1)c1cccc(Cl)c1	5778051	YZBIMYUELKRUBC-UHFFFAOYSA-N	345.811	3.267	50	50	EGGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2C(F)(F)F)[nH]n1	46646	FKELLUFZEFNXJE-AWQFTUOYSA-N	338.333	3.490	50	50	EGGA	
Cc1cc(C)nc(S[C@@H](C)C(=O)N/N=C/c2ccccc2Cl)n1	440234	QDBHCRPVKDLDRP-BEAUZRKQSA-N	348.859	3.378	50	50	EGGA	
C/C(=N/NC(=O)c1ccccc1N)c1ccc(Br)cc1	12342917	RPKNSNLRXCUPSL-ZDLGFXPLSA-N	332.201	3.185	50	50	EGGA	
Cc1cccc(C(N)=O)c1SSc1c(C)cccc1C(N)=O	142611443	COGCLKZMEMEROT-UHFFFAOYSA-N	332.450	3.301	50	50	EGGA	
O=C(NN=C1CCCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1	4703121	PPKXRIQACQPIRQ-UHFFFAOYSA-N	328.199	3.368	50	50	EGGA	
O=C(N/N=C/c1ccc(O)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1	46763	GYLZDIIRXWTRLO-VXLYETTFSA-N	340.770	3.200	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1Br	232402	WQNOFNPMNQKSPF-LZYBPNLTSA-N	337.173	3.123	50	50	EGGA	
C[C@H](NC(=S)NNC(=O)c1ccc(Cl)s1)c1ccccc1	2760526	ZELQTKFYBZKLNA-VIFPVBQESA-N	339.873	3.272	50	50	EGGA	
O=C(COc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc2ccccc2c1	439099	XENNMTOXUDQGBE-UDWIEESQSA-N	349.346	3.277	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1ccc(CC)cc1	292908	NROYTNDREBGFGP-MRXNPFEDSA-N	326.396	3.284	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@@H](Cl)C[C@H]1[C@@H]2Br	245255643	JSDWVKURFFDIKI-FCAWWPLPSA-N	346.496	3.212	50	50	EGGA	
C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C1\CCOc2ccccc21	39028728	QQJQRTFXUNPLKO-WREBDXAUSA-N	344.798	3.410	50	50	EGGA	
COc1cccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	292769	GCBIUMZYSRJHID-SJLPKXTDSA-N	330.391	3.289	50	50	EGGA	
O=C(Cc1c(F)cccc1Cl)NNC(=S)Nc1ccccc1	6402922	GNVIEMMCUQNNBU-UHFFFAOYSA-N	337.807	3.039	50	50	EGGA	
Cc1ccc2c(c1)OC/C2=N\NC(=O)[C@@H](C)Oc1cccc(Cl)c1	43761322	HZBLWKJSQYUHRY-SPYINAPQSA-N	344.798	3.329	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1	1875364807	UQOJFQLAJPJNHC-RYUDHWBXSA-N	331.803	3.138	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1	73467	SFAPPWOPVJMYQD-UDWIEESQSA-N	326.444	3.407	50	50	EGGA	
CCOC(=O)[C@@H]1C(O)=NC(SC)=C(C#N)[C@H]1c1ccccc1F	302190	MHZNQBRIUOEGKY-OLZOCXBDSA-N	334.372	3.157	50	50	EGGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)cc1	31783761	WLNMTKOSGCMDHZ-YBEGLDIGSA-N	327.361	3.032	50	50	EGGA	
COc1ccc(/C=N/NC(=O)CSc2ccccc2C)cc1OC	218368	AJZIGMCKZUDSFE-YBFXNURJSA-N	344.436	3.255	50	50	EGGA	
COCc1cc(=O)[nH]c2cc(NC(=O)C(C)(C)CCl)c(C)cc12	8670374	LIGSJFJOVSZEPF-UHFFFAOYSA-N	336.819	3.186	50	50	EGGA	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c(C)c1	252481798	CSFMEQGTVZEXQD-GXDHUFHOSA-N	337.335	3.458	50	50	EGGA	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1ccc(C(=O)O)cc1	198301152	FCLGFIUNTLAKGY-YBEGLDIGSA-N	346.342	3.249	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1	4287220	KMTDNPJRAOWCRL-FYJGNVAPSA-N	331.375	3.237	50	50	EGGA	
Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=O)cc1	2531088	DITOLHWZXGIPRX-WSDLNYQXSA-N	347.374	3.370	50	50	EGGA	
CCSC1=C(C#N)[C@H](c2ccccc2OC)[C@@H](C(=O)OC)C(O)=N1	17028384	BUTWUVPPDRDFJO-UONOGXRCSA-N	346.408	3.026	50	50	EGGA	
O=[N+]([O-])c1ccc(N/N=C2\CO[C@@H](CCCCl)C2)c([N+](=O)[O-])c1	43761497	LOELLUOHZXQTRE-GPILYODUSA-N	342.739	3.079	50	50	EGGA	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	2555055	ALJZEMRUAOJSPP-ZDUSSCGKSA-N	338.360	3.050	50	50	EGGA	in-vitro
O=C(Cc1cccc2ccccc12)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36020517	BYPVZKVGDFCZJN-UDWIEESQSA-N	349.346	3.146	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2	62995	MJKWZMCLANZMTR-KRWDZBQOSA-N	330.343	3.320	50	50	EGGA	
Cc1ccccc1C(=O)N/N=C/c1cc(Br)ccc1O	119903	ZREZUYGIIHJUAR-RQZCQDPDSA-N	333.185	3.227	50	50	EGGA	
C[C@@H](NC(=O)C(=O)N/N=C/c1cccc2ccccc12)c1ccccc1	2903539	JDVXXDJSONOEMM-QQHUYRGFSA-N	345.402	3.167	50	50	EGGA	
C[C@H]1C=CCC(C)(C)[C@H]1C(=O)C[C@@H](C)NNC(=O)c1ccccc1O	5043382	QEQGNBJQSYVHJZ-PMUMKWKESA-N	344.455	3.213	50	50	EGGA	
C[C@@H](Cl)C(=O)NC[C@H](C(=O)OCc1ccccc1)c1ccccc1	1875380333	MAMPDQGRALLLEI-PBHICJAKSA-N	345.826	3.257	50	50	EGGA	
Cc1ccsc1/C=N/NC(=O)CSc1nc2ccccc2n1C	554083	ZVFBHLSRQBPZGX-RQZCQDPDSA-N	344.465	3.186	50	50	EGGA	
COc1cc(C(=O)N/N=C/c2ccc(Cl)cc2)cc(OC)c1OC	347946	HDKVQRSXKZXHSR-VXLYETTFSA-N	348.786	3.130	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1	2892396	MOICPNVWMSLCOP-VXLYETTFSA-N	329.787	3.046	50	50	EGGA	
COC1=CC(C=O)=C/C(=C/C=C2\N(C)c3ccccc3C2(C)C)C1=O	136295121	NFYVCGAXKDNNJO-JHMILNJQSA-N	335.403	3.463	50	50	EGGA	
COc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	2929390	DMLUOMHGSVHBLJ-ZGXHQARYSA-N	332.787	3.266	50	50	EGGA	
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@H]1c1ccccc1	239378240	OLUGSZUWEAVXBJ-CDXJDZJCSA-N	347.418	3.320	50	50	EGGA	
COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19300003	MBAIXQQWHWHLIA-FUHWJXTLSA-N	330.391	3.289	50	50	EGGA	
COc1ccccc1/C=C/C=N/NC(=O)CCn1cnc2ccccc21	2686170	AQVHFSPFCZCWCN-NTYCFHCOSA-N	348.406	3.250	50	50	EGGA	
CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccco1	34265	WFIGJQPHTVDSIS-OAHLLOKOSA-N	336.347	3.062	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C2N	4094872	WUBUUSIWVBRWER-QGZVFWFLSA-N	339.351	3.046	50	50	EGGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	288866	VRDLSXTUIVLTTD-MRXNPFEDSA-N	330.343	3.320	50	50	EGGA	
CCCCOc1ccc(OCC(=O)N/N=C/c2ccccc2)cc1	2899525	HEJMSZQRJHTUPW-XSFVSMFZSA-N	326.396	3.395	50	50	EGGA	
COC(=O)c1c(NC(=O)C(F)(F)F)sc(/C(C)=C/C#N)c1C	289304	YUYIGSGZNJBLDR-GQCTYLIASA-N	332.303	3.271	50	50	EGGA	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1	1406018	AOJALGQZMYTSGO-VCHYOVAHSA-N	348.200	3.007	50	50	EGGA	
Cc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1Cl	18098152	CXJXCEMGMLZVRW-HMMYKYKNSA-N	344.798	3.330	50	50	EGGA	
O=C(N/N=C\c1cccc(Cl)c1)c1cncc(Br)c1	32666333	BESLBALJYTZBGN-FMQZQXMHSA-N	338.592	3.261	50	50	EGGA	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccccc1C(=O)O	4962473	BENWAOGZGKQJLA-CIAFOILYSA-N	348.358	3.398	50	50	EGGA	
Cc1ccc(NC(=O)NNC(=O)c2cc3c(s2)CCCC3)cc1	17067530	BGBACCBKYPGYCQ-UHFFFAOYSA-N	329.425	3.402	50	50	EGGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])cc1	59169	SLHCDGKFMUPIJN-DEDYPNTBSA-N	333.347	3.441	50	50	EGGA	
O=C([C@@H](F)Cl)N1CCN(c2nc3ccc(Cl)cc3s2)CC1	2325898012	PKRDTBFBQPRQBO-LLVKDONJSA-N	348.230	3.133	50	50	EGGA	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1ccc(Cl)cc1)OCO3	203548	WZAKWURQSDFUQS-INIZCTEOSA-N	326.739	3.287	50	50	EGGA	
COc1ccc(CCCC(=O)N/N=C/c2ccc(C#N)cc2)c(C)c1	43761394	VGBDAMZISBBOQN-HYARGMPZSA-N	335.407	3.348	50	50	EGGA	
Cc1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2n1	254304	RAJTWEMOOOCTGR-FYJGNVAPSA-N	332.407	3.373	50	50	EGGA	
O=C(NNC(=O)[C@H]1C[C@H]1c1ccccc1)Nc1cccc(Cl)c1	1227558	JNHKZYCUYSFOQI-GJZGRUSLSA-N	329.787	3.296	50	50	EGGA	
COc1ccc(CC(=O)N/N=C/c2ccccc2)cc1Br	12651187	CUFKIPXOESWXOW-WOJGMQOQSA-N	347.212	3.151	50	50	EGGA	
O=C(N/N=C/c1cccs1)C(=O)Nc1cc(Cl)ccc1Cl	2518713	QUCDEELFGASPRD-FRKPEAEDSA-N	342.207	3.144	50	50	EGGA	
COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19300004	MBAIXQQWHWHLIA-WMZOPIPTSA-N	330.391	3.289	50	50	EGGA	
COc1cc2ncc(NC(=O)[C@H](F)Cl)c(Cl)c2cc1OC	2325901434	FXMAKJHAICPJJU-LBPRGKRZSA-N	333.146	3.378	50	50	EGGA	
CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1	43761025	VZBBXFPZUJKQNT-XKSGRZMBSA-N	341.798	3.484	50	50	EGGA	
COc1ccccc1N[C@H](C)C(=O)NN=C(C)c1ccc(C)cc1	245240382	PPIIADHXFFOZDK-OAHLLOKOSA-N	325.412	3.344	50	50	EGGA	
CCCCCCC[C@H](O)CCC(=O)N/N=C/c1ccc(O)cc1O	102994035	XSIKORPCVNMCPS-SJPXOZHESA-N	336.432	3.050	50	50	EGGA	
CO[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)OC	195767018	BTQLIKNMLWCRII-UHFFFAOYSA-N	342.689	3.136	50	50	EGGA	
CO[C@@H](C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	434487	HTBFLNNOIRPPMG-BFERYNQYSA-N	347.758	3.086	50	50	EGGA	
O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccco2)n[nH]1	2450608	YTMGBNYVGCFMHW-QGMBQPNBSA-N	332.722	3.226	50	50	EGGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(Br)cc1	3995624	FOKMIYSSDYKHIM-OAHLLOKOSA-N	343.180	3.373	50	50	EGGA	
C[C@@H]1CCC[C@@H](NC(=O)COC(=O)/C(C#N)=C\c2ccccc2)[C@@H]1C	229725775	ZQMCPBJDTVYHKU-LSJNCJALSA-N	340.423	3.078	50	50	EGGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2Br)[nH]n1	8566493	PVCZGEGQBZDTNL-RQZCQDPDSA-N	349.232	3.234	50	50	EGGA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C1\COc2ccccc21	43761320	RUNMDTQBRPLOLA-RFEBSHCTSA-N	330.771	3.020	50	50	EGGA	
C[C@@H](Cl)C(=O)NC[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1	1875375499	CLSIPPOUZFRYPE-CXAGYDPISA-N	342.826	3.127	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	2892259	JPYHWEODHUOPIZ-UFFVCSGVSA-N	349.312	3.103	50	50	EGGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(Cl)cc1	2500874	KTAIXBIABKUKJT-HNNXBMFYSA-N	330.771	3.151	50	50	EGGA	
O=C(CSc1nc2ccccc2s1)N/N=C1/C[C@H]2C=CC[C@@H]12	139051063	WXDJVUBAJRYXDR-YODIJAISSA-N	329.450	3.457	50	50	EGGA	
CCOc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1O	5592994	SECXGDPGOFECCY-CIAFOILYSA-N	349.390	3.411	50	50	EGGA	
O=C(COc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])cc1	257826	ZHYURVQCDFHBDT-UDWIEESQSA-N	349.346	3.277	50	50	EGGA	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2)[nH]n1	8817079	REXKOTFDBAMYOK-DEDYPNTBSA-N	334.379	3.239	50	50	EGGA	
Cc1cc(C)nc(SCC(=O)N/N=C2\C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)n1	1875390378	PXNMNFFFQGHMPH-YEKQEAONSA-N	344.484	3.114	50	50	EGGA	
Cc1cnnn1-c1ccc(C(=O)Nc2ccc(SC#N)cc2)cc1	8843792	DDCXYCJBJLCSRS-UHFFFAOYSA-N	335.392	3.401	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@@H]2[C@@H](Br)[C@@H]1C[C@H]2Cl	245255645	JSDWVKURFFDIKI-QTBDOELSSA-N	346.496	3.212	50	50	EGGA	
O=C(N/N=C/c1ccc[nH]1)c1cc(-c2ccncc2)nc2ccccc12	375063	KXFHJYBNWOGCKX-YDZHTSKRSA-N	341.374	3.389	50	50	EGGA	
Cc1occc1C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	433994	LCRHSOIEVLFFDQ-UHFFFAOYSA-N	328.155	3.361	50	50	EGGA	
C[C@@H](Cl)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1	1875380110	FQKNJOLJIIOFPQ-AYOQOUSVSA-N	342.870	3.398	50	50	EGGA	
CC1=CC(C(F)(F)F)=C(C#N)C2=S=C(c3ccccc3)C(=O)N12	334159107	RFRQOTGHSVXNIM-UHFFFAOYSA-N	334.322	3.212	50	50	EGGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1	432107	UPJSSLFALRZUMZ-DHZHZOJOSA-N	342.307	3.333	50	50	EGGA	
Cc1cc(CN2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)no1	225675511	NYEVLRSOPLJNLP-UHFFFAOYSA-N	339.556	3.122	50	50	EGGA	
COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1	58497	IVKAFXBDULZGOE-ZGXHQARYSA-N	332.787	3.266	50	50	EGGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1	438198	GALDADQCBIJIDR-ZGXHQARYSA-N	332.787	3.266	50	50	EGGA	
O=C(Nc1cc(Br)c2c(c1)OCCCO2)[C@H](F)Cl	2325898550	KDKXEGAJDHIWBZ-JTQLQIEISA-N	338.560	3.083	50	50	EGGA	
CCOc1ccc(NC(=O)c2cc3ncc(CCCl)cn3n2)cc1	2735831	LQALFBIHEWNOMP-UHFFFAOYSA-N	344.802	3.162	50	50	EGGA	
CCCOc1cccc(C(=O)NNC(=O)Nc2ccccc2C)c1	17067015	RKRIERCQPXJRAA-UHFFFAOYSA-N	327.384	3.250	50	50	EGGA	
Cc1cc(C)n(CCNC(=O)CCCC[C@H]2CCSS2)n1	888103861	FSBYIAPHGSRJEN-AWEZNQCLSA-N	327.519	3.330	50	50	EGGA	
C=CCOc1ccc(C(=O)N/N=C/c2ccc(O)c(OCC)c2)cc1	2543867	BPIVUIPAXNHVCB-DEDYPNTBSA-N	340.379	3.120	50	50	EGGA	
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3O)[nH]n2)cc1	5580334	WFJZTUAIKWEIEJ-FYJGNVAPSA-N	348.406	3.499	50	50	EGGA	
CCSC1=C(C#N)[C@H](c2ccccc2OC)[C@H](C(=O)OC)C(O)=N1	8973213	BUTWUVPPDRDFJO-KBPBESRZSA-N	346.408	3.026	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	72601	LUHRVLKCKFXOCT-QGMBQPNBSA-N	339.226	3.416	50	50	EGGA	
CCOc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1	4210561	RFHUARDMHWHNGA-KGENOOAVSA-N	339.395	3.220	50	50	EGGA	
C/C(=N\NC(=O)CCn1nnc2ccccc21)c1ccccc1Cl	4679891	HPXDYPNFZJRDRY-XDHOZWIPSA-N	341.802	3.015	50	50	EGGA	
O=C(NNc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1	1395225	RWZGXZUEKKWISN-UHFFFAOYSA-N	340.364	3.475	50	50	EGGA	
COC(=O)[C@H]1C[C@H](Cl)CN1c1ncc(C(F)(F)F)cc1Cl	20218537	PPEKBMWOZHUDPV-IONNQARKSA-N	343.132	3.113	50	50	EGGA	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1O	154938	ZPCHVLOAXWMZPG-QGMBQPNBSA-N	339.178	3.228	50	50	EGGA	
Cc1ccsc1/C=C(/C#N)C(=O)NCc1ccc2c(c1)OCO2	17066746	CFFBZJJMAPSKBA-QPEQYQDCSA-N	326.377	3.009	50	50	EGGA	
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1	4136030	BMTLVPIYWYTCLY-FYJGNVAPSA-N	349.394	3.024	50	50	EGGA	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1cccnc1	13113864	PQLZPBOPLIVWEX-YBFXNURJSA-N	342.449	3.324	50	50	EGGA	
CC(/C=N/NC(=O)CSc1nc(C)cc(C)n1)=C\c1ccccc1	1740530	XJVDIZQVCKOAJP-WQHDTPSUSA-N	340.452	3.391	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1	81867	BPSSRMKDODSXFM-HNAYVOBHSA-N	343.386	3.290	50	50	EGGA	
O=C(N/N=C/c1cccc(Br)c1)c1ccc2[nH]cnc2c1	9703429	TWTIXZBYLRGMOW-UFWORHAWSA-N	343.184	3.089	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(Cl)c1	1775988416	VMBZRBCQXYPJEW-YBFXNURJSA-N	331.803	3.179	50	50	EGGA	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(Cl)cc1Cl	5731665	SRVNOHPOQDQQMC-UHFFFAOYSA-N	334.162	3.080	50	50	EGGA	
COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1	16133906	KGFXSXNEAVDFMR-ZGXHQARYSA-N	332.787	3.266	50	50	EGGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1	293515	ZJCJBWLHIYPAND-HNNXBMFYSA-N	344.436	3.443	50	50	EGGA	
CC(C)COc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	549679	JAGGMCQNIKSGCD-KEBDBYFISA-N	340.379	3.214	50	50	EGGA	
CSc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)C[C@@H](C)C3)cc1	241983	SWDVWDHKAKGAFQ-HWPZZCPQSA-N	326.421	3.469	50	50	EGGA	
Cc1c(C(=O)NCCSSCCC(=O)O)oc2ccccc12	1875388713	NEWGUTJLCRRVGK-UHFFFAOYSA-N	339.438	3.327	50	50	EGGA	
O=C(N/N=C/C(Br)=C\c1ccccc1)c1ccccn1	72815	SMEPYGYOHRXIGF-HWVXOFFASA-N	330.185	3.233	50	50	EGGA	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1	435644	UQEYTTOPEZHQJN-WOJGMQOQSA-N	340.408	3.301	50	50	EGGA	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1cccc(Br)c1	5007837	MYABFFWXIQAVIH-CLXYIWAZSA-N	347.212	3.023	50	50	EGGA	
CC1(C)CC(=NNC(=O)c2ccc(Br)o2)CC(C)(C)N1	4179545	SVSZPYXFCQJFNK-UHFFFAOYSA-N	342.237	3.069	50	50	EGGA	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1	1406022	VDMUFJGPNSEKFI-VCHYOVAHSA-N	348.200	3.007	50	50	EGGA	
CCn1c(SCC(=O)N/N=C/c2ccc(C)o2)nc2ccccc21	55595	MRGQPWUILIZTBK-VCHYOVAHSA-N	342.424	3.200	50	50	EGGA	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)NC[C@H]1CCCO1	288978	BMHYIADXJNWULH-PFEDMVJOSA-N	325.195	3.196	50	50	EGGA	
Cc1cccc(NC(=O)[C@@H](Cl)C(=O)c2ccc([N+](=O)[O-])cc2)c1	124542	LAFIWRYERCUEOP-AWEZNQCLSA-N	332.743	3.332	50	50	EGGA	
CC(C)c1cc(C(=O)N/N=C/c2cccc(Br)c2)[nH]n1	8567053	SHXXHWYHPQSMSC-LZYBPNLTSA-N	335.205	3.060	50	50	EGGA	
COc1ccccc1NC(=O)NNC(=O)c1csc2c1CCCC2	17072004	FVWFANIZTQEDFU-UHFFFAOYSA-N	345.424	3.102	50	50	EGGA	
Cc1cccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c1	281877	WBIIGGGUUUJZRV-CIAFOILYSA-N	334.375	3.383	50	50	EGGA	
O=C(COc1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12	486432	MHPHHWLXMPQNRC-KEBDBYFISA-N	327.771	3.350	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1	225465091	PUEAOZNPUCMJCE-CHWSQXEVSA-N	331.529	3.379	50	50	EGGA	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccco2)cc1	434697	NNXJNBYACNXCRW-QGZVFWFLSA-N	332.363	3.300	50	50	EGGA	
CCOC(=O)[C@H]1CC2[C@H]3CC=CC[C@H]2C3C[C@H](Br)C1=O	257356350	HOAXNDJNGKTXOR-ZSBNNPHGSA-N	341.245	3.121	50	50	EGGA	
Cc1ccc(O)c(/C=N\NC(=O)c2ccc(Br)cc2)c1	12446989	ABBZNALNNRSGFS-MFOYZWKCSA-N	333.185	3.227	50	50	EGGA	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1Br	434772	ZCQQTJKLVKBWTM-LICLKQGHSA-N	333.185	3.222	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2	62996	MJKWZMCLANZMTR-QGZVFWFLSA-N	330.343	3.320	50	50	EGGA	
Cc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSc1ccccc1C	3132034	ICHLONKYWZCSOD-VCHYOVAHSA-N	343.408	3.454	50	50	EGGA	
C/C(=N\NC(=O)c1ccc(Br)o1)c1cc(C)oc1C	373119	QLYAMGFQAAOHJL-OVCLIPMQSA-N	325.162	3.406	50	50	EGGA	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccc(C)c1	1426853	BLHUTHUKZMXDAS-CQSZACIVSA-N	340.404	3.370	50	50	EGGA	
FC(F)(F)C1(C(F)(F)F)N[C@H]2[C@H](Br)C[C@H]1[C@H]2Cl	245234674	CQNJIVNXDXPYJU-RSJOWCBRSA-N	346.496	3.212	50	50	EGGA	
Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	9041725	MTPOOMMCQVANEJ-YBFXNURJSA-N	349.350	3.057	50	50	EGGA	
Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc(Cl)cc1Cl)C(=O)N2	6556934	QCGOSVBDCUIGTN-UHFFFAOYSA-N	348.189	3.388	50	50	EGGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccc([N+](=O)[O-])c1	61800	IKNXAUNSDDFPJB-DEDYPNTBSA-N	333.347	3.441	50	50	EGGA	
C[C@@H](Cl)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1	1875364498	STDUAOAHVHURTM-PBHICJAKSA-N	344.842	3.004	50	50	EGGA	
C[C@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@@H]2O	301054312	KVJXBPDAXMEYOA-STSORGEZSA-N	329.440	3.467	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(F)cc2F)C(C#N)=C(N)O1	207758	WKXICEIXZXWRFB-HNNXBMFYSA-N	348.349	3.390	50	50	EGGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(Cl)c1Cl	2584190	YQFYSJTZHZAMCM-LBPRGKRZSA-N	339.178	3.248	50	50	EGGA	
NNC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12	272347	VMPLUJKIZDGUTI-UHFFFAOYSA-N	342.196	3.268	50	50	EGGA	
Cc1sc2c(c1C)c(=O)nc1n2[C@H](CBr)CS1	332827	QTGZHFHNYFOMOC-SSDOTTSWSA-N	331.260	3.117	50	50	EGGA	
CCn1ncc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c1C	372884	XCRHVQSDAIDAJU-VXLYETTFSA-N	348.834	3.173	50	50	EGGA	
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc(F)cc1	13582645	AADNEIZXAQTHJS-SRZZPIQSSA-N	342.399	3.335	50	50	EGGA	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccccc1[N+](=O)[O-]	261363	AHHULSIFCOVIDF-UDWIEESQSA-N	349.346	3.277	50	50	EGGA	
CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)[nH]n2)cc1	9271198	UOGZXLQDUGXKRC-LPYMAVHISA-N	347.422	3.434	50	50	EGGA	
CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1	1300	BDYYDXJSHYEDGB-UHFFFAOYSA-N	328.151	3.265	50	50	EGGA	biogenic,world
Cc1cc2c(c(=O)o1)[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2	208011	NWDZORKYKXKDPK-CYBMUJFWSA-N	348.280	3.185	50	50	EGGA	
Cc1ccc(NCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1	4869679	GVZLBKMOLZHWGR-WSDLNYQXSA-N	334.423	3.357	50	50	EGGA	
CCOC(=O)c1c(/C(C#N)=C\N)c2ccc(Cl)c(Cl)c2n1C	33295985	CXJCGSPAPOTTSF-VURMDHGXSA-N	338.194	3.485	50	50	EGGA	in-vivo
CC(C)(C)OC(=O)NN=C1CCN(C(=O)OCc2ccccc2)CC1	203725759	XNMGQSRGTUNRCI-UHFFFAOYSA-N	347.415	3.300	50	50	EGGA	
O=C1C[C@@H]([P+](c2ccccc2)(c2ccccc2)c2ccccc2)CO1	100854974	DGLKMHQNXWPCEO-OAQYLSRUSA-N	347.374	3.296	50	50	EGGA	
CC[C@@H](C)c1ccc(OCC(=O)NNC(=O)c2ccc(F)cc2)cc1	615852	OWBHLTPKRLPIAG-CYBMUJFWSA-N	344.386	3.179	50	50	EGGA	
O=C(NN=C1CCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1	4697548	IFYMFSQMDPDXEQ-UHFFFAOYSA-N	327.306	3.080	50	50	EGGA	
COc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1	298858	ZQNUQYCTIMLQFI-LICLKQGHSA-N	333.185	3.222	50	50	EGGA	
COC(=O)c1ccc(/C=C(\C#N)c2nc(O)c3ccccc3n2)cc1	4170186	FCMAGWXZVIREQF-GXDHUFHOSA-N	331.331	3.186	50	50	EGGA	
CC1(C)CC(=O)C(C#N)=C(SCC(=O)NCc2ccccc2)C1	22023387	MSIOAAAZPXAZGV-UHFFFAOYSA-N	328.437	3.203	50	50	EGGA	
O=C(c1ccccc1)c1c[nH]c(C(=O)NNc2cccc(Cl)n2)c1	1384776	NTVUAASOCPXZMJ-UHFFFAOYSA-N	340.770	3.051	50	50	EGGA	
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(N)=O	252693068	AIMQMSBWBNRJGW-YYRVRDMLSA-N	347.503	3.414	50	50	EGGA	biogenic
C=CCc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1O	2521751	BIPIJIGNLFKAFX-RGVLZGJSSA-N	344.798	3.303	50	50	EGGA	
CN(C)c1ccc(P(=O)(CCl)c2ccc(N(C)C)cc2)cc1	100638941	HMBKYCVPIVWRNV-UHFFFAOYSA-N	336.803	3.329	50	50	EGGA	
C/C(=N\NC(=O)Cn1cnc2ccccc21)[C@@H]1C[C@@H]1c1ccccc1	222155150	HWZFXZGORJWZLJ-GILUONBUSA-N	332.407	3.332	50	50	EGGA	
O=C(NNc1ccc(Cl)nn1)[C@@H]1C[C@H]1c1c(F)cccc1Cl	129664569	PPLYWEMBYFITND-HTQZYQBOSA-N	341.173	3.169	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)c(O)c1	440152	VUSKOYHTQMJAMU-UDWIEESQSA-N	329.375	3.141	50	50	EGGA	
CC(C)(C)C(=O)[C@@H](Cl)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	4831699	FKMFWSKVTINOIW-SNVBAGLBSA-N	333.171	3.409	50	50	EGGA	
C[C@H]1CCc2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)csc2C1	374093	RVGVBKLBDYPJQX-NPLBWUPPSA-N	342.420	3.366	50	50	EGGA	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/C=C/c1ccccc1	4372686	RIKGOQZCYJFTQJ-JZLLWARRSA-N	339.351	3.178	50	50	EGGA	
Cc1cccc(C)c1CN(C(=O)CCl)[C@@H](C)CC[S@](C)=O	1875382703	MPUYZQANKVLGOK-QKKBWIMNSA-N	329.893	3.028	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1	6382551	AUCGMNVGOMZFLD-CIAFOILYSA-N	330.391	3.248	50	50	EGGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccccc1Cl	3668258	TVWKIRHERFOGTK-HNNXBMFYSA-N	330.771	3.151	50	50	EGGA	
CCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2)cc1	286314	GREUPWQFWFDLGU-DEDYPNTBSA-N	326.396	3.177	50	50	EGGA	
O=C(N/N=C\C=C\c1ccccc1)c1cncc(Br)c1	16134247	ZVVZNZBBRASGSD-DFBITEFZSA-N	330.185	3.273	50	50	EGGA	
Cc1occc1C(=O)N/N=C/c1ccc(F)c(Br)c1	440077	NJTWIODRRWMIEG-FRKPEAEDSA-N	325.137	3.254	50	50	EGGA	
C/C(=N\NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc(O)cc1	9013124	DIOPAXJFBGIAAX-RGVLZGJSSA-N	338.342	3.075	50	50	EGGA	
CCOC(=O)c1sc(-c2ccccn2)nc1CBr	35605544	RNJKUHUGSBTCRJ-UHFFFAOYSA-N	327.203	3.277	50	50	EGGA	in-vitro
C[C@@H]1CCc2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)csc2C1	374097	RVGVBKLBDYPJQX-YTTILGKYSA-N	342.420	3.366	50	50	EGGA	
CC(/C=N/NC(=O)CSc1nc2ccccc2[nH]1)=C\c1ccco1	4746446	QFBMLKGUSKXWDL-QLEPDINUSA-N	340.408	3.454	50	50	EGGA	
I[C@@H]1C[C@@H]2CC=C[C@@H]2C[C@H]1[n+]1ccccc1	239412521	SUUYLLOMBIKUCZ-REWJHTLYSA-N	326.201	3.305	50	50	EGGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@H]1CNCC1(CO)COC1	1875339950	DQMKOGSTCGXYQM-JKSUJKDBSA-N	343.584	3.166	50	50	EGGA	
C[C@H](Cl)C(=O)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2	1875377939	RSZWAFHSQNNBDT-BPNCWPANSA-N	343.801	3.019	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@@H](Cc1nccn1C(F)F)c1ccccc1	1875363511	GLIMQVZSRHOLKU-JQWIXIFHSA-N	327.762	3.306	50	50	EGGA	
C/C(=N\NC(=O)C1[C@@H]2CCC=CCC[C@@H]12)c1cccc([N+](=O)[O-])c1	5221397	BRCHFXZUHOEWIR-PVBLHBSYSA-N	327.384	3.427	50	50	EGGA	
C/C(=N\NC(=O)c1n[nH]c2c1CCc1ccccc1-2)c1cccs1	12362430	KDGMEDRNHHIBFX-YBFXNURJSA-N	336.420	3.391	50	50	EGGA	
Cc1ccc2cc(/C=N/NC(=O)CN3CCCCC3)c(Cl)nc2c1	233635	SFWQXHRHHWAJCJ-RGVLZGJSSA-N	344.846	3.133	50	50	EGGA	
Cc1cc(C)c2c3c(sc2n1)[C@@]1(CCO[C@@H]1C)C(C#N)=C(N)O3	1125872	OWJBQTLNNORECZ-BMLIUANNSA-N	327.409	3.046	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)c(F)c2)C(C#N)=C(N)O1	292871	NVBAWINRULKAHJ-OAHLLOKOSA-N	348.349	3.390	50	50	EGGA	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	3898769	FXPXWCLUBUTCKA-YBFXNURJSA-N	327.384	3.261	50	50	EGGA	
O=C(CP(=O)(c1ccccc1)c1ccccc1)N1CCCCC1	334143	YTAYSTNAUYJKDJ-UHFFFAOYSA-N	327.364	3.013	50	50	EGGA	
COc1ccc(C(=O)C(Br)Br)c(OC)c1	2172189	LANYSSCRMYWNKW-UHFFFAOYSA-N	337.995	3.002	50	50	EGGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(O)cc1O	95641	XAGKMKSDHRDLJU-REZTVBANSA-N	325.151	3.169	50	50	EGGA	
O=C(CCn1nnc2ccccc21)N/N=C/c1cccc2ccccc12	252590	OLBDUFYLWYXOOY-KGENOOAVSA-N	343.390	3.125	50	50	EGGA	
CCCCSC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)CC(=O)N1	9015312	ZBRSFVFSHUOMSR-LBPRGKRZSA-N	330.409	3.287	50	50	EGGA	
CC(C)c1cc(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)cs1	17072253	GVWAHEJWXZNHTG-UHFFFAOYSA-N	347.396	3.067	50	50	EGGA	
Cc1ccn2c(/C=C(\C#N)C(=O)Nc3ccc(F)cc3F)cnc2c1	221789609	HNXUGKNIKSXOQL-KPKJPENVSA-N	338.317	3.467	50	50	EGGA	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)s1	56125	XZZIPFXROWYDAJ-LZYBPNLTSA-N	330.438	3.175	50	50	EGGA	
COc1ccc(/C=C2/C(=O)OC(=O)/C2=C/c2ccc(OC)cc2)cc1	102266209	UDQCBDUXQBHJNF-JYFOCSDGSA-N	336.343	3.254	50	50	EGGA	
N#C/C(=C\c1cn(CCOc2ccccc2F)c2ccccc12)C(N)=O	123550	DXOSYPDDRLYWTE-SDNWHVSQSA-N	349.365	3.252	50	50	EGGA	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	173869	QRBKXMVTJKGCTL-LGMDPLHJSA-N	335.363	3.496	50	50	EGGA	
C[C@@H](Cl)C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1	1875364320	LJEHEWYJJJRKHP-ZYHUDNBSSA-N	337.782	3.209	50	50	EGGA	
COC(=O)[C@@H](Br)c1ncc(C(F)(F)F)cc1Cl	169806048	ZRZGEXBOQBOEGL-LURJTMIESA-N	332.503	3.363	50	50	EGGA	
CCCOc1ccc(C(=O)N/N=C/c2cc3ccccc3[nH]c2=O)cc1	2519903	VRIHMHCDEYSZHF-FYJGNVAPSA-N	349.390	3.081	50	50	EGGA	
COc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccncc2)cc1	299897	IPWWFHJLWWYABO-ZBJSNUHESA-N	331.375	3.273	50	50	EGGA	
Cc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)c1	1426898	LORDXCANOOYCIF-QGZVFWFLSA-N	343.386	3.065	50	50	EGGA	
CCSc1nnc(N[C@@]2(C(F)(F)F)C(O)=NC(C)=C2C#N)s1	40283889	RIKNCZMKIKAHEJ-SNVBAGLBSA-N	349.363	3.131	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@H](c2sccc2C)C(C#N)=C(N)O1	206885	WDNJCRAUQPOIFP-CYBMUJFWSA-N	332.425	3.482	50	50	EGGA	
C[C@@H](Cl)C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1	1875364316	LJEHEWYJJJRKHP-PWSUYJOCSA-N	337.782	3.209	50	50	EGGA	
CCOC(=O)[C@]1(C#N)C(=O)C(C#N)=C2CCCC[C@@H]2[C@H]1c1ccccc1	245227569	JPWFTLNBFYFNII-CDXJDZJCSA-N	348.402	3.436	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)=C2N	186811	WUBUUSIWVBRWER-KRWDZBQOSA-N	339.351	3.046	50	50	EGGA	
CCSC1=C(C#N)[C@@H](c2ccccc2OC)[C@H](C(=O)OC)C(O)=N1	8973214	BUTWUVPPDRDFJO-KGLIPLIRSA-N	346.408	3.026	50	50	EGGA	
CC(/C=N/NC(=O)c1c(Br)cnn1C)=C\c1ccccc1	13555497	QXTQCJISITYVIA-LQLUBKQVSA-N	347.216	3.002	50	50	EGGA	
COc1cccc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1	32649994	RNUIYMZZBZSTNX-XHEYCZLTSA-N	332.787	3.266	50	50	EGGA	
Cc1ccc([C@H](C)CC(=O)NCCSSCCC(=O)O)cc1	1875388488	CYYBOTOWQYZNFG-CYBMUJFWSA-N	341.498	3.461	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2cccc(C)c2)cc1	58667	XRIQKWZYDOCOMV-HYARGMPZSA-N	338.455	3.403	50	50	EGGA	
Cc1cccc(C)c1CN(C(=O)CCl)[C@@H](C)CC[S@@](C)=O	1875382702	MPUYZQANKVLGOK-LHSJRXKWSA-N	329.893	3.028	50	50	EGGA	
COc1ccccc1O[C@H](C)C(=O)N/N=C/c1ccc(Cl)cc1	35653645	RPLHLSIUDAIKJY-ZGXHQARYSA-N	332.787	3.266	50	50	EGGA	
I[C@@H]1C[C@@H]2CC=C[C@@H]2C[C@@H]1[n+]1ccccc1	15635740	SUUYLLOMBIKUCZ-DGAVXFQQSA-N	326.201	3.305	50	50	EGGA	
COc1cc(C(=O)N/N=C/c2ccccc2Cl)cc(OC)c1OC	353718	SKPKJIGYCQSMOY-VXLYETTFSA-N	348.786	3.130	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)cc(C)cc1C	42437	RTNFCHHKFWFQKW-KRWDZBQOSA-N	326.396	3.257	50	50	EGGA	
COc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1	64761	IPENMKWVVFCYMD-UHFFFAOYSA-N	346.386	3.437	50	50	EGGA	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	291043	BCJMGYJJSYUJOI-AGKWGAAGSA-N	338.407	3.274	50	50	EGGA	
Cc1ccc([C@H]2[C@H]3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19831316	WGMBQYIBNHRLRP-IRXDYDNUSA-N	332.432	3.152	50	50	EGGA	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc([N+](=O)[O-])cc1	2898593	AKUZJBQEUPEONU-LFYBBSHMSA-N	339.263	3.296	50	50	EGGA	
C[C@H](Nc1ccccc1)C(=O)N/N=C/c1ccc(Br)cc1	370353	CWPHXBSMSPVIAP-HWQJWEFDSA-N	346.228	3.400	50	50	EGGA	
COc1ccccc1N[C@@H](C)C(=O)NN=C(C)c1ccc(C)cc1	245240381	PPIIADHXFFOZDK-HNNXBMFYSA-N	325.412	3.344	50	50	EGGA	
C[C@@H](Cl)C(=O)N(Cc1ccc(Cl)cc1)Cc1cnn(C)c1	1875377464	FCQJVFTXVVVZBV-LLVKDONJSA-N	326.227	3.230	50	50	EGGA	
C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(Br)cc1	12343186	YRARASNMJRPMNV-RQZCQDPDSA-N	347.216	3.204	50	50	EGGA	
O=C(N/N=C/c1cc(Br)ccc1O)C1[C@H]2CCCC[C@H]12	100311334	HIRSECWGSKHNNL-MXFINWHRSA-N	337.217	3.041	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1OC	12343099	IKOWJIZDGHJFFE-MCVCKHRISA-N	338.407	3.348	50	50	EGGA	
Cc1ccc(C(=O)NCC(=O)N/N=C/c2cccc3ccccc23)cc1	4331057	RRJHBHUDJRYWTJ-YDZHTSKRSA-N	345.402	3.028	50	50	EGGA	
N#Cc1ccc(NNC(=O)c2ccc(F)c(C#N)c2)c(C(F)(F)F)c1	803361526	WIDCGFMNCACPOR-UHFFFAOYSA-N	348.259	3.345	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc2ccccc12	38771	PFGLBRIAHPIVMN-SFHVURJKSA-N	334.375	3.485	50	50	EGGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc2ccccc2c1	242197	XOIQGMFZECGGIQ-GOSISDBHSA-N	334.375	3.485	50	50	EGGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1cccc(O)c1	102294977	ILTMPPRNAUZRRA-KGENOOAVSA-N	347.459	3.099	50	50	EGGA	
O=C1c2ccccc2C(=O)N1CCCOc1cccc(CCl)c1	39649028	KOTXJEMCCWCBPK-UHFFFAOYSA-N	329.783	3.491	50	50	EGGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1F	2322939	DTUQCULWDKBEAS-OAHLLOKOSA-N	330.334	3.416	50	50	EGGA	
Cc1ccc(NC(=S)NNC(=O)CCc2ccccc2)c(C)c1	6400352	ZDVSISYKRUWIGL-UHFFFAOYSA-N	327.453	3.254	50	50	EGGA	
O=C(CN1CCCCCC1)N/N=C/c1ccc(Cl)c(Cl)c1	283062	HMYOZFJZWAGUPM-VCHYOVAHSA-N	328.243	3.320	50	50	EGGA	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cnccn3)cc2)cc1	4331012	OKHQXSWTTPQCQH-FSJBWODESA-N	346.390	3.128	50	50	EGGA	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1C	241891	ROZCPSUWGLETLZ-KRWDZBQOSA-N	338.407	3.455	50	50	EGGA	
CCCc1n[nH]c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	4677614	ZXMWMINQYWBWRM-GFCCVEGCSA-N	332.766	3.373	50	50	EGGA	
CC(C)Oc1cccc(C(=O)NNC(=O)Nc2ccccc2F)c1	17067970	ZVCOSMPNBVTRFG-UHFFFAOYSA-N	331.347	3.079	50	50	EGGA	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(F)cc2F)C(C#N)=C(N)O1	207760	WKXICEIXZXWRFB-OAHLLOKOSA-N	348.349	3.390	50	50	EGGA	
Cc1cccc(NCCCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1	2996135	IIZCLRJQOQWKBA-DEDYPNTBSA-N	340.383	3.246	50	50	EGGA	
Nc1c(Br)cc(Br)cc1[C@H](O)CCl	4054533	DKJZMOOSJIUROZ-SSDOTTSWSA-N	329.419	3.066	50	50	EGGA	
CN(NC(=O)c1ccccc1)c1nc2ccccc2nc1C(F)(F)F	5342989	APBQDWKUBBNJPU-UHFFFAOYSA-N	346.312	3.430	50	50	EGGA	
CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1	5296963	ALWMSSVNTOAMNP-DEDYPNTBSA-N	334.379	3.239	50	50	EGGA	
Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)[C@@H](F)Cl	2325901665	RGNPTYPKNCJKOD-CQSZACIVSA-N	336.798	3.453	50	50	EGGA	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OC	5336152	OTCPBGKPDHWJGB-SFHVURJKSA-N	338.363	3.018	50	50	EGGA	
COc1ccc(/C(C)=N/NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1OC	12343102	IKOWJIZDGHJFFE-KSZYVRDXSA-N	338.407	3.348	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1F	289909	DDMQMBVZPMQPPW-HNNXBMFYSA-N	334.306	3.150	50	50	EGGA	biogenic,in-vitro
CC1CCN(C[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CCl)CC1	1875384189	LRFGXTHTXOVZEB-MRXNPFEDSA-N	347.890	3.166	50	50	EGGA	
C/C(=N\NC(=O)Cn1nc(C)cc1C)c1ccccc1C(F)(F)F	222068807	UXCHQNHTGHJQII-UDWIEESQSA-N	338.333	3.059	50	50	EGGA	
N#CS[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	126868	SSKTWTPYUGXJNZ-OAHLLOKOSA-N	348.405	3.324	50	50	EGGA	
O=C(N/N=C/c1ccncc1)c1cc(-c2cccc3ccccc23)n[nH]1	9068062	RKBPGWYCCZRFJV-LPYMAVHISA-N	341.374	3.389	50	50	EGGA	
O=C(NNc1ncnc2ccsc12)[C@H]1SCCc2sccc21	132488196	GUIVNZPURWAXID-NSHDSACASA-N	348.478	3.227	50	50	EGGA	
CC1=C(C#N)C(c2cc(Br)ccc2O)C(C#N)=C(C)N1	20432394	ZFGWAHAJVBNKGS-UHFFFAOYSA-N	330.185	3.437	50	50	EGGA	
C[C@H](NC(=O)[C@@H](C)Cl)c1ccc(NC(=O)c2ccncc2)cc1	1875364805	UQOJFQLAJPJNHC-NEPJUHHUSA-N	331.803	3.138	50	50	EGGA	
CO[C@@H](C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1	2860079	IZTNCBWFYRLVLC-QGZVFWFLSA-N	340.423	3.133	50	50	EGGA	
C[C@@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@H]2O	301054310	KVJXBPDAXMEYOA-LNBFURQASA-N	329.440	3.467	50	50	EGGA	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/C=C/c1ccco1	13617455	NMWGDEUXGXAXQG-AHEHSYJASA-N	326.381	3.063	50	50	EGGA	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)cc1	5175337	VQCYVLOPTHUABU-GXDHUFHOSA-N	338.363	3.345	50	50	EGGA	
C/C(NCc1ccccc1)=C(\C#N)C(=S)NC(=O)c1ccccc1	100435500	IZVBITJTGUAOKL-VKAVYKQESA-N	335.432	3.331	50	50	EGGA	
O=C(C(Cl)Cl)N(CCO)Cc1ccc(Cl)cc1Cl	1117	STLZCUYBVPNYED-UHFFFAOYSA-N	331.026	3.118	50	50	EGGA	biogenic,in-man
CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)c1	230151	YHUGETBXUQHLTM-DEDYPNTBSA-N	334.379	3.239	50	50	EGGA	
CCOC(=O)[C@]1(C#N)C(N)=C(C#N)C2=C(CCCC2)[C@H]1c1ccccc1	28069	SUSBFZHHWMBMLU-NQIIRXRSSA-N	347.418	3.464	50	50	EGGA	
COc1ccc2c(c1)CCC/C2=N\NC(=O)[C@]1(C)CC1(Cl)Cl	17071338	VGRRWFJMINGLIH-SJPXOZHESA-N	341.238	3.436	50	50	EGGA	
O=S(=O)(c1ccc(N=C=S)cc1)N1CCc2ccccc2C1	19737306	FBMNUNRKHMOXIA-UHFFFAOYSA-N	330.434	3.168	50	50	EGGA	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(O)cc2O)c1	510700	HLPPYAPPARXWAF-KEBDBYFISA-N	342.395	3.059	50	50	EGGA	
CCOC(=O)Oc1c(Cl)cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	5592255	FVIPYGHYUNCLNM-UHFFFAOYSA-N	325.060	3.345	50	50	EGGA	
Cc1cccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)c1C	371336	YYBOGXFMCOHOBF-UHFFFAOYSA-N	347.802	3.189	50	50	EGGA	aggregator
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC1=CC(=O)CCC1	5356996	IOUXTYUPUVWSRR-SECBINFHSA-N	343.210	3.018	50	50	EGGA	
N#C/C(=C\c1c[nH]c2cc(C(=O)O)ccc12)c1nnc2n1CCCCC2	685940249	APZWZCVFVCTILT-MDWZMJQESA-N	347.378	3.248	50	50	EGGA	
CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1CN	199626359	DKCJFKXHBRAYKQ-QWHCGFSZSA-N	330.545	3.345	50	50	EGGA	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(N(C)C)o2)c1	4591958	VKZYFNWMFGWRGE-RAXLEYEMSA-N	325.368	3.290	50	50	EGGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1	207388	LGFXTVHAPCJDLD-ACJLOTCBSA-N	332.359	3.488	50	50	EGGA	
COC(=O)c1ccc(-c2nc(OC(=O)CCCl)c(C)s2)cc1	3116668	QXSDPKXDNMSQFK-UHFFFAOYSA-N	339.800	3.439	50	50	EGGA	
C[C@H](Cl)C(=O)N[C@@H](C)[C@@H](c1ccccc1Cl)n1cccn1	1875376213	PBRYLHUWYHMXGM-MJVIPROJSA-N	326.227	3.258	50	50	EGGA	
O=C(O)CCSSCCNC(=O)c1ccc(F)c2occc12	1875388450	BNFBBTIJHKJMKQ-UHFFFAOYSA-N	343.401	3.158	50	50	EGGA	
Cc1cccc(OCC(=O)NNc2nc3ccc(F)cc3s2)c1	1776111452	YHDSNVVDPKFGHE-UHFFFAOYSA-N	331.372	3.266	50	50	EGGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2C)c(O)c1	2895090	QBWDMOCWLTZYSA-DEDYPNTBSA-N	325.412	3.311	50	50	EGGA	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccoc2)C(C#N)=C(N)O3)cc1	5817666	VYUDEOJFYNCAMU-OAHLLOKOSA-N	348.362	3.287	50	50	EGGA	
C/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1O	16310442	LKYCGOVBIABECZ-YVLHZVERSA-N	333.185	3.309	50	50	EGGA	
CCOc1ccc(C(=O)N/N=C(/C)c2cccc([N+](=O)[O-])c2)cc1	4578488	CWEOUHUJMWAWKE-PDGQHHTCSA-N	327.340	3.148	50	50	EGGA	
C[C@H](NC(=O)c1cc2ncc(CCCl)cn2n1)c1ccccc1	2736111	LREUSPPTIQTXMF-LBPRGKRZSA-N	328.803	3.002	50	50	EGGA	
CCOc1cc(C(=O)N/N=C/c2ccoc2)cc(OCC)c1OCC	15933738	ZSWKVOVTTKAVSB-YBFXNURJSA-N	346.383	3.240	50	50	EGGA	
COc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1	261339	DVIWRSANQGESCC-FYJGNVAPSA-N	334.375	3.378	50	50	EGGA	
C=CCOc1cccc(/C=N/NC(=O)COc2ccccc2Cl)c1	2521752	GMBVBHLSWTYHRR-UDWIEESQSA-N	344.798	3.434	50	50	EGGA	
C[C@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@H]2O	301054313	KVJXBPDAXMEYOA-WDALQOGOSA-N	329.440	3.467	50	50	EGGA	
Cc1ccc([C@H]2C[C@@H]2C(=O)NNC(=S)Nc2cccc(C)c2)cc1	8690298	ZWQAAAAGSDREOQ-SJORKVTESA-N	339.464	3.425	50	50	EGGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	59612	IGTUDPHMTXCFBF-YBFXNURJSA-N	335.319	3.218	50	50	EGGA	
C=CCc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)c1O	44940	JMPIEKSDPIGWOJ-FYJGNVAPSA-N	346.390	3.275	50	50	EGGA	
C[C@]1(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)C[C@H]1Br	252441048	CIGRASSTVHFEOB-DHFFPCJSSA-N	345.301	3.112	50	50	EGGA	biogenic
C/C(=N\NC(=O)CSc1nc2ccccc2n1C)c1cccs1	19833184	QCKPIWLRGIYPHU-WOJGMQOQSA-N	344.465	3.267	50	50	EGGA	
C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccccc1O	6459111	SUNYYLLEEWUVIK-DEDYPNTBSA-N	334.379	3.245	50	50	EGGA	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	12572687	WONUUAPXNILITI-WOJGMQOQSA-N	347.758	3.167	50	50	EGGA	
COc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1	15934095	DZOOXGQUHHGOKD-UHFFFAOYSA-N	335.363	3.315	50	50	EGGA	
CC(=NNC(=O)C(=O)Nc1ccccc1Cl)c1ccc(C)cc1	245238808	BDGCKPOAIDQYIS-UHFFFAOYSA-N	329.787	3.127	50	50	EGGA	
Cc1ccsc1[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	58306	TUTNOWFTJDHWGA-ZDUSSCGKSA-N	336.372	3.381	50	50	EGGA	
COc1ccc(C(=O)N[C@H](N=C=S)C(Cl)(Cl)Cl)cc1	3123265	PQXDIGXAZZOXPJ-JTQLQIEISA-N	339.631	3.224	50	50	EGGA	
Cc1ccc([C@@H]2C[C@@H]2C(=O)NNC(=O)Nc2ccc(F)cc2F)cc1	17071965	VLALPGGKAKEWHT-KBPBESRZSA-N	345.349	3.230	50	50	EGGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cc(-c2ccco2)n[nH]1	5687495	UQQINLZQXANKGH-RGVLZGJSSA-N	346.346	3.292	50	50	EGGA	
N#CS[C@H](CS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	126861	YIBBMNNRXZOFAN-OAHLLOKOSA-N	348.405	3.324	50	50	EGGA	
Cc1n[nH]c(C)c1CCC(=O)N/N=C/C(Cl)=C/c1ccccc1	3202458	ITLXHGXEVLTSGC-WWJULTAPSA-N	330.819	3.341	50	50	EGGA	
Cc1cccc(NC(=S)NNC(=O)CSCc2ccccc2)c1	6391298	ZMEDODGDKJDGJN-UHFFFAOYSA-N	345.493	3.246	50	50	EGGA	
Cc1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	4796053	RSLHYKUNLLVKOW-UHFFFAOYSA-N	345.315	3.268	50	50	EGGA	
C[C@@]12CC[C@@H]3[C@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@@H]2O	301054311	KVJXBPDAXMEYOA-LNOYOUNLSA-N	329.440	3.467	50	50	EGGA	
CCc1nnc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1C	408523488	KMCAXVSLSAULQF-AWEZNQCLSA-N	338.572	3.364	50	50	EGGA	
COc1ccc(-c2n[nH]c(C(=O)N/N=C/c3cccs3)c2C)cc1	350664	WSRIVCMPTCADGW-VCHYOVAHSA-N	340.408	3.219	50	50	EGGA	
CC(C)(C)c1ccc(OC(=O)NC(=O)CCBr)cc1	22341341	KPROGNLJARFBNS-UHFFFAOYSA-N	328.206	3.384	50	50	EGGA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C1\CCOc2ccccc21	39028729	QQJQRTFXUNPLKO-SPYINAPQSA-N	344.798	3.410	50	50	EGGA	
CCOc1ccccc1NC(=S)NNC(=O)CCc1ccccc1	6393899	VKFRKHDXPMCLRQ-UHFFFAOYSA-N	343.452	3.036	50	50	EGGA	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccco2)n[nH]1	71901	OAVJSLDGGYFLQN-VXLYETTFSA-N	333.351	3.223	50	50	EGGA	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1cccnc1	5010295	FQJWKTCZZXKGOS-VXLYETTFSA-N	338.194	3.308	50	50	EGGA	
N#C/C(C1=N[C@@H](c2ccccc2)CO1)=C1/N[C@@H](c2ccccc2)CO1	4521783	QVVGSAYHUSBCQV-DOGRUHBXSA-N	331.375	3.253	50	50	EGGA	
C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1	286442	OMQUXHIOGGOPAF-MBNTZHJCSA-N	347.212	3.367	50	50	EGGA	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F	2576171	BGMXDAFYFPDVAG-UFFVCSGVSA-N	349.312	3.103	50	50	EGGA	
C[C@@]12[C@H]3[C@@H]4C[C@H]5[C@@H]([C@H]4[C@H]1Br)[C@H]2[C@@](O)(c1ccccc1)[C@H]53	245227689	SZCGKEUXKLALMI-ZSGKGDHJSA-N	331.253	3.416	50	50	EGGA	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)ccc1OC	5336149	OTCPBGKPDHWJGB-GOSISDBHSA-N	338.363	3.018	50	50	EGGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Br)o1	201698	LIPDLTGCDYQOGO-CPFSXVBKSA-N	349.184	3.103	50	50	EGGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccccc1	102294086	OLNNRWUFBCFVIT-RCCKNPSSSA-N	331.460	3.394	50	50	EGGA	
O=C(CNC1CCCCC1)NN=C(c1ccccc1)c1ccccc1	4013740	JNVNFUUDDVRMCA-UHFFFAOYSA-N	335.451	3.478	50	50	EGGA	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N/N=C/c1ccc(Cl)cc1	4366596	ZSZLCTQHJANTSI-HPAYWCODSA-N	347.758	3.166	50	50	EGGA	
Cc1cc2c(c(=O)o1)[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2	208008	NWDZORKYKXKDPK-ZDUSSCGKSA-N	348.280	3.185	50	50	EGGA	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccncc2)C(C#N)=C(S)N1	4634852	KDOHGNNDFWVOMY-KRWDZBQOSA-N	348.431	3.346	50	50	EGGA	
O=C(N/N=C/c1cccc2ccccc12)[C@@H]1COc2ccccc2O1	291138	WNZCHBHKCFIAFD-CIPMJJFUSA-N	332.359	3.130	50	50	EGGA	
N#CC1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccccc1	1422109	SBUUBQBLDUKLQY-OAHLLOKOSA-N	332.384	3.480	50	50	EGGA	
CNC(=O)c1ccc(SSc2ccc(C(=O)NC)cc2)cc1	196205682	NDNDFUXELKXOBS-UHFFFAOYSA-N	332.450	3.205	50	50	EGGA	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2ccccc2cc1O	58945	SXLFRGTYZQEBBL-YBFXNURJSA-N	335.319	3.218	50	50	EGGA