smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc2c(c1)OCCO2	57615383	DIEPDTYFTCWCGZ-OEAKJJBVSA-N	361.401	3.468	50	40	FGGB	
COCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2C)o1	2445277	ZPLQISGFZWQLRI-GXDHUFHOSA-N	355.346	3.050	50	40	FGGB	
Cc1ccc2c(c1)P(=O)(c1ccccc1)c1cc(C)ccc1S2(=O)=O	104416503	IIDFSAKVQISLCM-UHFFFAOYSA-N	368.394	3.089	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)Nc1cccc(C)c1	408745028	JDPGODYFLIMAAS-UIRWJGRMSA-N	358.401	3.422	50	40	FGGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(C)s3)CC2=O)cc1	96504890	BMWNWMCQZUZULQ-UWOKGBPVSA-N	355.463	3.122	50	40	FGGB	
CCCCCC(=O)NNC(=S)NC[C@@H](Cl)Cc1cccc(C)c1	5214263	OSXVSKPVWOPHIF-HNNXBMFYSA-N	355.935	3.221	50	40	FGGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21	806300	UFZZZRJETDICFS-CQSZACIVSA-N	350.403	3.365	50	40	FGGB	
COC(=O)N1[C@]23CCC[C@@]12C[C@@H](Br)[C@@H](Br)C3	101042597	ZOCWMTAEBWJOTF-BNRHILJJSA-N	353.054	3.051	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c(OCC)c1	8811018	DFFXHOUONXFCKA-FYJGNVAPSA-N	372.421	3.265	50	40	FGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Cl)c(OC)c(OC)c1	657363	GBDMKOUQVXERAS-KEBDBYFISA-N	362.813	3.438	50	40	FGGB	
O=C(Cc1cccc2ccccc12)NNC(=O)NCCc1ccc(F)cc1	24754212	DSNNAOCUTPNJCO-UHFFFAOYSA-N	365.408	3.095	50	40	FGGB	
N#CC(=C1S[C@@H]2CS(=O)(=O)C[C@H]2S1)c1nc2ccccc2s1	3174082	PPXUHJUSHORBBS-VXGBXAGGSA-N	366.514	3.134	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccccc1Cl	301398142	DWPLZZYHWAYOFT-UKTHLTGXSA-N	356.765	3.349	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)c2ccc(F)cc2F)c1	6330054	HDKJMJGTCANDEW-UHFFFAOYSA-N	362.376	3.237	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc3c(c2)OCCO3)c1	5539169	LSZGURPUKXBPQK-WSDLNYQXSA-N	368.433	3.419	50	40	FGGB	
Cc1c(/C=C(/C#N)C(=O)NC(N)=O)c2ccccc2n1Cc1ccccc1	409239813	FHHNCHPHJLIFHH-WJDWOHSUSA-N	358.401	3.100	50	40	FGGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)NCc1ccccc1)OCO2	409100583	VAUZOFXFWOKFAI-LZYBPNLTSA-N	350.374	3.037	50	40	FGGB	
CCN(C[C@@H]1CCCN(C(=O)CCl)C1)C(=O)OCc1ccccc1	79411956	FWWUCVZCUOZKNB-INIZCTEOSA-N	352.862	3.123	50	40	FGGB	
CN(C)S(=O)(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3o2)cc1	5248082	UAFAFLPEXGNDTN-OUKQBFOZSA-N	368.418	3.055	50	40	FGGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(I)cc1	9201122	JUQJFKIPWPJSEC-LICLKQGHSA-N	364.186	3.364	50	40	FGGB	
O=C(N/N=C/c1c(Cl)[nH]c2ccccc12)c1ccc2c(c1)OCCO2	12437306	FQFYKTAOLDDPJP-KEBDBYFISA-N	355.781	3.356	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1	3034517	OPXAKZWJBHREMH-VCHYOVAHSA-N	361.423	3.483	50	40	FGGB	
Cc1cc(OCCCOc2ccc(/C=N/NC(N)=O)cc2)ccc1Cl	4671907	ZDBIKNMUPOTQOW-CIAFOILYSA-N	361.829	3.499	50	40	FGGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1C(=O)O	20246277	LKIGHHLKAJDACY-DJKKODMXSA-N	362.838	3.422	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2O)cc1OCC	409045345	GHYGDPPKHZPPNR-CIAFOILYSA-N	372.808	3.220	50	40	FGGB	
O=C(N/N=C/c1ccncc1)C1CCN(Cc2ccc(Cl)cc2)CC1	5634136	MNOOWCDVINTWCR-LPYMAVHISA-N	356.857	3.097	50	40	FGGB	
Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	2640216	XUPWJVXWGBBKHN-UHFFFAOYSA-N	374.249	3.317	50	40	FGGB	
O=C(N/N=C/c1ccccc1)c1cccc(C(=O)N/N=C/c2ccccc2)c1	1429052	CNYDXIFPAUEYIX-DFEHQXHXSA-N	370.412	3.214	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	1319425	QHQQGVLWFIVYKQ-OMBDHMDGSA-N	354.406	3.427	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	58883484	VCQVFTGUIQZYAO-LPYMAVHISA-N	367.449	3.390	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc2c3c(cccc13)CC2	59437035	HTTAXGYEBPWAOC-YDZHTSKRSA-N	360.413	3.476	50	40	FGGB	
CCCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)OC)C(=O)N1	12249943	WJFZJNGNMJQDSB-UONOGXRCSA-N	364.854	3.221	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c(O)c1	5261344	SLNWVVSFVOISKG-LPYMAVHISA-N	369.465	3.384	50	40	FGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(C)C	5408528	WPQJNHFHPSGCMM-QGZVFWFLSA-N	354.410	3.122	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccccn1	408965521	ICQKRSIZTNBEFV-WYMPLXKRSA-N	361.380	3.264	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2)N2C(=N1)SC(C#N)=C2N	408608956	XVOSRJXLUNCTOY-HNNXBMFYSA-N	354.435	3.023	50	40	FGGB	
O=C(Cl)[C@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCC2)C1	45888095	MFFBCNUYDBTVTD-JTQLQIEISA-N	360.763	3.424	50	40	FGGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(N3CCCC3)cc1)OCO2	7386544	ZRWJQNYLROOSCO-CIAFOILYSA-N	351.406	3.088	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2ccccc2Cl)c1	5539469	KCHATJDLIDRCFY-BQYQJAHWSA-N	358.825	3.196	50	40	FGGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCO2	21285349	MJEBSIMWQMIHGH-UHFFFAOYSA-N	369.255	3.099	50	40	FGGB	
COc1cc(/C=C/C(=O)NN)ccc1OCc1ccc(F)cc1Cl	226336853	XJMFCHVCNQZXLV-XVNBXDOJSA-N	350.777	3.070	50	40	FGGB	
Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1ccc(C(C)(C)C)cc1	23411026	BGKOVOOHLKWVBH-SRZZPIQSSA-N	356.422	3.233	50	40	FGGB	
CC(C)(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1	59519740	DRPIUPLYFFIDAO-YDZHTSKRSA-N	371.868	3.404	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1	1788093	QTLAKEKQALZXCG-JAIQZWGSSA-N	350.334	3.322	50	40	FGGB	
O=C(CCCC[C@@H]1CCSS1)N1CCN(c2ccccn2)CC1	79464404	CHFPMIRLZCQTTJ-OAHLLOKOSA-N	351.541	3.444	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(O)c(Br)c2)cc1	44395963	LXWXESVNZQWUPV-DJKKODMXSA-N	362.227	3.025	50	40	FGGB	
O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N/N=C/c1ccc(F)s1	252494697	OBYGVCMEIWHVLM-KPSZGOFPSA-N	360.336	3.130	50	40	FGGB	
COc1cc([C@H]2NC(=O)C(C#N)=C(Nc3cccc(C)c3)S2)ccc1O	1045531	QJPDWHBKLXQBSR-SFHVURJKSA-N	367.430	3.418	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)CC2(C)SCCS2)cc1Cl	408588835	JYBZMQXCHPLPPE-RQZCQDPDSA-N	374.915	3.394	50	40	FGGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3N)c2C)cc1	408590817	QPHYSZATBHGUAK-YDZHTSKRSA-N	362.433	3.449	50	40	FGGB	
NC(=O)c1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	15934403	GFZXKFLSLOSGIX-OEAKJJBVSA-N	359.385	3.342	50	40	FGGB	
CCn1c(=O)c(/C=N/NC(=O)c2ccc(Cl)cc2)c(O)c2ccccc21	38180564	BPYRKAJXTOUSKY-SRZZPIQSSA-N	369.808	3.144	50	40	FGGB	
O=C(O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(O)c3)o2)cc1	52113	YEGPJSIWGLDEDP-RGVLZGJSSA-N	350.330	3.114	50	40	FGGB	
CN(NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1	58394312	MHKDHQFOYGOJPY-KRWDZBQOSA-N	359.429	3.360	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)c(C)o1	3406503	RRPWPEQYOKESFX-UHFFFAOYSA-N	364.401	3.403	50	40	FGGB	
C=CCOc1c(/C=N/NC(=O)COc2ccccc2Cl)cccc1OC	408907319	BASBXDMVMZELMF-CIAFOILYSA-N	374.824	3.443	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OC(C)=O	408849748	YKYRLPDRMZFCPA-JAIQZWGSSA-N	352.346	3.131	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1	96398772	LTCRSCOHWDITKS-QOJHZZNWSA-N	370.449	3.086	50	40	FGGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Br)cc1O	1073955	ZPLRUAAUTDBCSW-DJKKODMXSA-N	358.195	3.400	50	40	FGGB	
O=C(N/N=C/c1ccccc1I)c1cccc(F)c1	6335694	ZOJYTZJQDOAMQR-RQZCQDPDSA-N	368.149	3.194	50	40	FGGB	
c1ccc([PH](CCC2OCCO2)(c2ccccc2)c2ccccc2)cc1	100992064	QKPVZMWJPKJYEZ-UHFFFAOYSA-N	364.425	3.476	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	1106697	OQVXLGZDROOCKK-CIAFOILYSA-N	354.406	3.211	50	40	FGGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409380491	FOPVMFRERPVWCW-WSDLNYQXSA-N	369.421	3.017	50	40	FGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccncc1	408982901	ZRLJMKFILFQNSD-WEKPXBEKSA-N	372.428	3.093	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2OC)cc1	213625259	JGMKNRHBLXOSOJ-KAMYIIQDSA-N	368.389	3.267	50	40	FGGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1	33340468	MYXLECUQIZMXDJ-MOSHPQCFSA-N	363.377	3.447	50	40	FGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1Cl	59515452	HXRROPOLMMSIHV-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccco1	3262474	LVVJWVDRBRITJZ-UHFFFAOYSA-N	354.337	3.073	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2o1	408964839	SQZINJKDUFCXJY-RQZCQDPDSA-N	354.278	3.013	50	40	FGGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccncc2)cc(OCC)c1OCC	6487425	RGOKJVUNRHAQOY-HYARGMPZSA-N	371.437	3.432	50	40	FGGB	
O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1cc2ccccc2o1	408845394	GNIOQNGSKRJTPO-LSCVHKIXSA-N	359.725	3.464	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1	408718481	QPHUVTYVAYVKKO-ZVBGSRNCSA-N	364.232	3.068	50	40	FGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409231699	FSEJOEIUIGOKMA-UEIJICEPSA-N	360.413	3.492	50	40	FGGB	
COC1(OC)c2ccccc2P(=O)(c2ccccc2)c2ccccc21	96171607	WRZPPZVOHYVANR-UHFFFAOYSA-N	350.354	3.133	50	40	FGGB	
O=C(c1ccccc1)N1C[C@H]2C[C@H](Br)[C@H]1[C@H]2Br	239296807	DKFDXPLRTDNFPL-RHYQMDGZSA-N	359.061	3.058	50	40	FGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	2053926	OSMBHAQNUHCWPQ-CIAFOILYSA-N	374.872	3.066	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	8169578	PKVAPXFOVFGKNE-VPNURPJOSA-N	371.437	3.051	50	40	FGGB	
O=C(c1ccccc1)N1C[C@H]2C[C@@H](Br)[C@@H]1[C@@H]2Br	3120751	DKFDXPLRTDNFPL-DDHJBXDOSA-N	359.061	3.058	50	40	FGGB	
O=C(N/N=C/c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	654858	YJERBYUDFVAEMY-KEBDBYFISA-N	369.768	3.402	50	40	FGGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)Cn1cc(C(F)(F)F)ccc1=O)C2	104887633	VKXFCDPCMOYSQR-SFLWUNHXSA-N	369.387	3.186	50	40	FGGB	
COc1ccc(C(=O)NNc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1	1415031	HPVRNDSYLODOQH-UHFFFAOYSA-N	370.390	3.484	50	40	FGGB	
C/C(=N/NC(=O)c1ccoc1C)c1cccc(NC(=O)C(F)(F)F)c1	13108831	GBXHEBALRFAUDF-NKVSQWTQSA-N	353.300	3.243	50	40	FGGB	
COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccc(O)c(OC)c1	4751338	MQVWSMKBKBGEGE-SFHVURJKSA-N	366.373	3.155	50	40	FGGB	
COc1cccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1	9028457	ARFKENPSSMHEEA-CIAFOILYSA-N	364.357	3.417	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1	83261002	XCEFVQYDJXTKHQ-RVDMUPIBSA-N	366.329	3.284	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1	5585366	FBMASFLDAIVKRF-KGENOOAVSA-N	352.438	3.255	50	40	FGGB	
COc1cc2c(cc1C[C@H](Br)CBr)OCO2	1641646	CKVGYWZCDAKVHC-QMMMGPOBSA-N	352.022	3.125	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-]	2773998	MBPYACCFLLUSHQ-MDWZMJQESA-N	352.306	3.357	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2Cl)[C@@H]2CNCC=C12	1302538	IOYRPICKCWBFAJ-HIFRSBDPSA-N	370.243	3.006	50	40	FGGB	
COc1ccc2[nH]c(/C(C#N)=C\c3cc(OC)c(O)c(OC)c3)nc2c1	4739910	WOGZRIMTDRIRPP-SDQBBNPISA-N	351.362	3.358	50	40	FGGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(OC(C)C)c1	409252601	COXNDDOLTSCMLV-BOURKTIISA-N	370.449	3.445	50	40	FGGB	
N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	408927171	ZUUJYVJVOUQNCS-YRNVUSSQSA-N	371.736	3.492	50	40	FGGB	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c1	408885056	WVZFHPMCSQGMJI-LFIBNONCSA-N	350.374	3.418	50	40	FGGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccn1-c1ccc(C(=O)O)cc1	409236065	RMHDFABAYLOCQB-XKZIYDEJSA-N	365.364	3.007	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)cc(Br)c1O	408800400	OXOLOGDPOVLROZ-PQTFEYQYSA-N	367.243	3.375	50	40	FGGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2cccc3ccccc23)c2ccccc21	6258187	JCDSUHYMVFIXDR-WYMPLXKRSA-N	370.412	3.044	50	40	FGGB	
C/C(=N\NC(=O)COc1ccccc1C#N)c1cccc(Br)c1	5221988	CLGNMJWRUIQFLS-UDWIEESQSA-N	372.222	3.240	50	40	FGGB	
O=C(CCC(=O)Nc1cccc(Br)c1)N/N=C/c1ccccc1	3112428	SWLIHKIWRFQHGJ-XDHOZWIPSA-N	374.238	3.318	50	40	FGGB	
N#CC(C#N)=Cc1cn(CCC(=O)O)nc1-c1cccc(Br)c1	3273742	XAGSLDTXFZAFLX-UHFFFAOYSA-N	371.194	3.218	50	40	FGGB	
NNC(=O)c1cccc(COc2ccc(Br)cc2Cl)c1	2568651	GWGZWZDNVRQBNT-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccc(F)cc1	100089577	HDLOQNRVQMWXEP-ZMOGYAJESA-N	371.456	3.407	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc(Cl)c(O)c(OC)c2)cc1	408711799	LEJZWEBLJYJSNB-JAIQZWGSSA-N	362.813	3.146	50	40	FGGB	
O=C(OCc1ccccc1)N1CC[C@H]2C[C@H](CBr)O[C@H]2C1	91302782	PYESLKOIIXXBHE-ZNMIVQPWSA-N	354.244	3.198	50	40	FGGB	
C/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccc(C)cc1C	5277152	KMGHQBSPFWRCIG-HYARGMPZSA-N	357.841	3.227	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	4994050	JCCXKUNKMNWBMA-SFQUDFHCSA-N	355.413	3.293	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Br)ccc1F	1097810	LWUDEDSOKGUBEM-AWEZNQCLSA-N	363.186	3.403	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	4671845	XGQPGVDSIXJVTR-UHFFFAOYSA-N	353.422	3.017	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1	5674651	CVAWRCVYAOHZHS-CYBMUJFWSA-N	351.406	3.052	50	40	FGGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)C3CCC3)cc2)cc1	6330301	BHDRPWBVLJZXOF-UHFFFAOYSA-N	368.433	3.225	50	40	FGGB	
C/C(=N/NC(=O)c1ccccc1F)c1ccc(NC(=O)C(F)(F)F)cc1	17075396	HBEDPLGACFVJNL-RMORIDSASA-N	367.302	3.481	50	40	FGGB	
CCOc1ccccc1/C=N\NC(=O)N/N=C/c1ccccc1OCC	12367446	GZJIVOGLWZKTRC-IWXNDQKYSA-N	354.410	3.151	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cc(C(C)C)n[nH]1	6694185	YHDCRJDGVZUEBS-RGVLZGJSSA-N	350.426	3.100	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NCC(C)C)c2C)cc1	59960416	QLKFCTIYWRCYSW-QRVIBDJDSA-N	368.481	3.015	50	40	FGGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)c1	59198858	OKHWGRNMGHOTQC-FOWTUZBSSA-N	351.406	3.279	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1ccc(F)cc1	5277189	WFLIALWCRYJTDB-LPYMAVHISA-N	357.385	3.277	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	4679912	GVQDBVKOCLYIJA-SSDVNMTOSA-N	363.339	3.357	50	40	FGGB	
O=C(N/N=C/c1ccc(Br)o1)c1cc(-c2ccccc2)n[nH]1	4705501	VCDQTHUPCCFRQQ-RQZCQDPDSA-N	359.183	3.196	50	40	FGGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC2CC2)cc1	408707518	KAOWBRURTVRMSD-SRZZPIQSSA-N	370.840	3.121	50	40	FGGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1	5130237	OKAMWDKMHIGLHC-INIZCTEOSA-N	360.373	3.015	50	40	FGGB	
O=C(N/N=C/c1coc2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2	3909327	SERFCTXFDUJREW-SSDVNMTOSA-N	350.418	3.460	50	40	FGGB	
Cc1ccccc1CSCC(=O)NNC(=S)NC1CCCCC1	6789594	QREUZUSLHDBGKW-UHFFFAOYSA-N	351.541	3.056	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)CCSc2ccc(C)cc2)cc1	409128801	GWJZYWYXTGHOAG-DEDYPNTBSA-N	356.447	3.414	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1	34719710	MDLCRHDAVVEWCX-JCMHNJIXSA-N	364.449	3.399	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)cc1	216722876	UVJNICWBSCRBOG-UHFFFAOYSA-N	365.433	3.262	50	40	FGGB	
CCNC(=O)COc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1OC	48345529	JAOIUULBPLUXGS-NVNXTCNLSA-N	370.430	3.061	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cccc([N+](=O)[O-])c1O	409100597	QLMSDRPPJRNADG-UKWGHVSLSA-N	367.283	3.012	50	40	FGGB	
CCOc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1O	409237541	VEAZQNOEPFJNOA-JXAWBTAJSA-N	350.418	3.447	50	40	FGGB	
O=C(NNc1cccc(Cl)c1)c1cccc(NC(=O)[C@@H]2CCCO2)c1	30616024	NSJLQNJWYDXZPS-INIZCTEOSA-N	359.813	3.214	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21	14134516	OTYOOVOZIKSPHI-YDZHTSKRSA-N	373.412	3.004	50	40	FGGB	
O=C(NNC(=S)NCc1ccccc1)c1cccc(C(F)(F)F)c1	15873275	JHICEIKZZUUSAR-UHFFFAOYSA-N	353.369	3.015	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@H](C)Nc2ccc(C)cc2)cc(Cl)c1O	2750755	RVRBVEWAGJLSQZ-QDBSGRMGSA-N	361.829	3.313	50	40	FGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccs2)c(OC)c1	1786082	OVNPBIYJGIKRTC-GXDHUFHOSA-N	368.414	3.185	50	40	FGGB	
Cc1c(C(=O)NNC(=O)NCC2(c3ccccc3)CC2)oc2ccccc12	32779709	MYYUOFZWOGTJAC-UHFFFAOYSA-N	363.417	3.417	50	40	FGGB	
O=S(=O)(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1	1568341	QAMWLTHPQJPCGT-UHFFFAOYSA-N	351.232	3.156	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	2502480	FIVZEWAGNJHUFA-LJQANCHMSA-N	366.373	3.041	50	40	FGGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(O)c(Br)c2)c(C)c1	216039306	MNQHZHGICICHFI-GRSHGNNSSA-N	361.239	3.464	50	40	FGGB	
O=C(NNc1ccccc1)C(O)(c1ccc(F)cc1)c1ccc(F)cc1	1410606	JNLYBHQXTGKXQW-UHFFFAOYSA-N	354.356	3.344	50	40	FGGB	
COc1ccc(C2=NN(C(=O)CCl)[C@H](c3nc4ccccc4[nH]3)C2)cc1	4595241	VTDMXPZYBNCBTQ-KRWDZBQOSA-N	368.824	3.488	50	40	FGGB	
O=P(N[C@@H](O)C(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1	100924560	JXWSVFCKGVVFIQ-ZDUSSCGKSA-N	364.596	3.194	50	40	FGGB	
CC(C)=NNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1	20060001	DIDLBGFPWXRYNJ-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)Cc1ccc(C)c(C)c1	107872875	JBKCJDZVFNERCS-HYARGMPZSA-N	350.418	3.017	50	40	FGGB	
CCCc1n[nH]c2c1[C@H](c1c[nH]nc1-c1ccc(F)cc1)C(C#N)=C(N)O2	8568307	LLRWUEJUOTYJAB-HNNXBMFYSA-N	364.384	3.110	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC(C)=O	408754452	KJBPJQGQQZZBOG-RGVLZGJSSA-N	360.797	3.428	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1OC	13845107	AXSCXEXJRXDFCH-CIAFOILYSA-N	356.422	3.240	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)cc1F	989278	LFLMJVIHVGVIPM-CQSZACIVSA-N	363.186	3.403	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	3140256	CKPYTFXBFNWMMX-UDWIEESQSA-N	355.394	3.421	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1[N+](=O)[O-]	12844043	IIPIJQKSGXFECY-KEBDBYFISA-N	371.393	3.058	50	40	FGGB	
O=C(NNC(=S)Nc1ccc(Cl)cc1Cl)c1ccccc1O	16238367	FDGMOYHHZCJDQE-UHFFFAOYSA-N	356.234	3.330	50	40	FGGB	
COc1cc(Br)cc(/C=N\NC(=O)c2ccc(F)cc2)c1O	13838218	BXVXYCPDUJZISR-LSCVHKIXSA-N	367.174	3.066	50	40	FGGB	
CC(C)(C)c1[nH]nc2c1[C@H](c1ccc3c(c1Cl)OCO3)C(C#N)=C(N)O2	4786156	BGKWMPWHWCKMJN-LLVKDONJSA-N	372.812	3.307	50	40	FGGB	
CCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1	6998988	AWEPEAAOIQXDJJ-YBFXNURJSA-N	374.238	3.100	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1cccc([N+](=O)[O-])c1	5128580	YISPHKQSBMXKBB-CIAFOILYSA-N	363.377	3.161	50	40	FGGB	
O=C(OCCCl)Oc1cc2oc(=O)sc2cc1Br	1800130	DOQAFYDHHIOMNW-UHFFFAOYSA-N	353.577	3.371	50	40	FGGB	
O=C(OCCCl)Oc1cc2sc(=O)oc2cc1Br	4402424	WRUUJEYVZNOPNP-UHFFFAOYSA-N	353.577	3.371	50	40	FGGB	
CC(C)=NNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1	20240480	OYBVGXRSPQYJTI-UHFFFAOYSA-N	364.493	3.130	50	40	FGGB	
COc1ccc2c(c1)/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N2	59472599	SXKRRPAPMIZEKY-UHFFFAOYSA-N	351.406	3.079	50	40	FGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(Br)o1	3115513	PLAQNZGZIVPFGK-CAOOACKPSA-N	351.200	3.188	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)cc([N+](=O)[O-])c1O	36008515	OFTDAANSGMACRR-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	59472937	GWCYHCZPOGLWSG-GWJWUGQSSA-N	354.406	3.012	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(Br)o2)c(C)c1	13945555	IPAVRRLBCGNGHM-IUXPMGMMSA-N	351.200	3.188	50	40	FGGB	
COc1ccccc1[P@](=O)(c1ccccc1)c1ccccc1NC(C)=O	17544509	WIFHDSQPYPGJDG-SANMLTNESA-N	365.369	3.293	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)o1	409038615	AFYBZEXLJUWHGN-FSJBWODESA-N	373.368	3.240	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2cccc(I)c2)cc1	40844413	NLWVZTGHKFENEY-YVLHZVERSA-N	364.186	3.364	50	40	FGGB	
COc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3F)[nH]n2)cc1	5696244	SRWSKGLJKGSBHL-UFFVCSGVSA-N	356.332	3.127	50	40	FGGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1	778234	SSNVRNSTQRWZGV-LFIBNONCSA-N	369.446	3.003	50	40	FGGB	
O=C(O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)cc1	208442271	DKMOVYVLAJSPCR-JAIQZWGSSA-N	350.330	3.114	50	40	FGGB	
CCOc1ccc(OC)cc1/C=N/NC(=O)COc1ccc(Cl)cc1	1444173	DAOIVRGJQCOTCM-RGVLZGJSSA-N	362.813	3.276	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc2cc([N+](=O)[O-])ccc2s1	107919502	WAORAOWSWXGDSD-RQZCQDPDSA-N	370.346	3.482	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	4662968	LTWRLWVUHBXHIK-UHFFFAOYSA-N	359.495	3.229	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc(NC(=O)c2ccco2)cc1	5894306	LJQHVOYJPRTPPM-LPYMAVHISA-N	363.373	3.392	50	40	FGGB	
NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccc(Br)cc12	226360073	AWYWVBWSTWVWLP-UHFFFAOYSA-N	360.186	3.407	50	40	FGGB	
COc1ccc(-c2nn(CCC#N)cc2/C=N\NC(=O)c2ccccc2)cc1	36056796	CNQKMMNEMQHHCS-UCQKPKSFSA-N	373.416	3.236	50	40	FGGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCCN2CCCCC2)cc1	26687260	HHNJVOUIHRCESN-MNDPQUGUSA-N	354.498	3.042	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC	59334661	TXGUFSXNRSPPSK-GHXNOFRVSA-N	367.243	3.242	50	40	FGGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cccc(F)c1	100089536	WIWPRHAIIGVICK-ZMOGYAJESA-N	371.456	3.407	50	40	FGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(O)cc1	5724342	PDRWRVPXNUASHA-RGVLZGJSSA-N	354.797	3.304	50	40	FGGB	
COc1ccc(CC(=O)NNC(=O)/C=C/c2cccc3ccccc23)cc1	5879988	XGQCSUGSKWYJFQ-SDNWHVSQSA-N	360.413	3.252	50	40	FGGB	
COc1cc(/C=N\NC(=O)Nc2cccc(C)c2)ccc1O[C@H](C)C(=O)O	409012651	KXZSJWQYFNEVHI-RBFBNPFJSA-N	371.393	3.011	50	40	FGGB	
CN(C)NC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1	408978176	KXNGXMOODMHNEN-UHFFFAOYSA-N	361.409	3.218	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C/c2cccc(OC)c2OC)cc1	1059704	NOHCHSFOKJWLFN-RGVLZGJSSA-N	374.462	3.096	50	40	FGGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(OCCC)cc1	20197263	JKBYSKKGLQZRFU-PXLXIMEGSA-N	366.417	3.260	50	40	FGGB	
Oc1ccccc1OB(Oc1ccccc1O)N(CCCl)CCCl	195762920	XLRYPVUBNYYCQK-UHFFFAOYSA-N	370.041	3.320	50	40	FGGB	
COC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Cl)c(OC)c1	2292301	DABWOEMBJNDVDY-VXLYETTFSA-N	362.769	3.258	50	40	FGGB	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1	93546907	AILSUTNHGWKCCT-HNAYVOBHSA-N	352.825	3.344	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	5045063	NXOUGOZFUNEVPH-RCCKNPSSSA-N	366.421	3.278	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccccc1C(=O)O	408771275	FIWNEOIFDUIVHF-YBEGLDIGSA-N	351.406	3.224	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	5745950	RAIGBIPQWKVDDP-MLPAPPSSSA-N	351.318	3.178	50	40	FGGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccccc2O)cc1	6222906	NKZHHOYRCRSYQE-HZHRSRAPSA-N	373.412	3.337	50	40	FGGB	
CCOC(=O)C[C@@H](C(=O)OCC)P(c1ccccc1)c1ccccc1	2045036	FWNHTSKXHFRXNV-SFHVURJKSA-N	358.374	3.004	50	40	FGGB	
O=C(CCc1ccc(-c2ccccc2F)o1)NNC(=O)Cc1ccccc1	13024295	JJRMNNJWDHIXGO-UHFFFAOYSA-N	366.392	3.408	50	40	FGGB	
CCOc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1OCC(=O)O	4453111	CAYYODZSJCITEZ-UVTDQMKNSA-N	363.373	3.489	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC[C@H]1CCCO1	408817563	WOCZXLVRXTWXGZ-VJSYINPZSA-N	360.413	3.054	50	40	FGGB	
CCOC(=O)/C(C#N)=C1\CCCC[C@H]1/C(SC)=C(/C#N)C(=O)OCC	35193626	RZLOSFBQVKPVHU-VUHLDJJXSA-N	362.451	3.264	50	40	FGGB	
COc1ccc(-c2nc(N3CCOCC3)sc2C=C(C#N)C#N)cc1	16217381	GRJFYWLIWAOVNW-UHFFFAOYSA-N	352.419	3.086	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2Cl)ccc1OC	8181952	FRTBCZWONXGDHZ-RGVLZGJSSA-N	362.813	3.276	50	40	FGGB	
COc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1OC	11296413	CUDWVFAXBAYVMK-GXDHUFHOSA-N	374.404	3.279	50	40	FGGB	
CCc1ccc2c(c1)/C(=N\NC(=O)C13CC4CC(CC(C4)C1)C3)C(=O)N2	20817381	RBOBVZTZOOJBAB-UHFFFAOYSA-N	351.450	3.238	50	40	FGGB	
CCN(CC)c1ccc(/C=N\NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	223153647	UYZWZPGARZMTBR-HMAPJEAMSA-N	366.465	3.238	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@H]2CSCC=C12	1061491	MWSQBNLQCJIDNT-HOCLYGCPSA-N	352.850	3.497	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3nc(N)nc(N(C)C)n3)c2C)cc1	11297854	TXBDXQUSYATABP-GZTJUZNOSA-N	373.464	3.300	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)=O)c(OC)c2)c1	6822262	ALOINIMFFMGRGF-OQLLNIDSSA-N	366.373	3.175	50	40	FGGB	
COc1ccc(C(=O)NNC2=NC(C)(C)Cc3cc(C)c(C)cc32)cc1	821593	FJFGOPUUDYSBDN-UHFFFAOYSA-N	351.450	3.328	50	40	FGGB	
O=C(CCCCC(=O)OC[C@H](Cl)CCl)OC[C@H](Cl)CCl	104328370	GRFQNAGYTWIYHH-NXEZZACHSA-N	368.084	3.326	50	40	FGGB	
CCN(CC)c1nc2sc(C(=O)NNC(=O)c3ccccc3)cc2s1	59577066	XVKPJTRXCCAAIO-UHFFFAOYSA-N	374.491	3.279	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1	408883727	WGISDNLMPDJZDT-XYOKQWHBSA-N	368.305	3.057	50	40	FGGB	
N#CC1=C(N)Oc2cc(O)cc(O)c2[C@H]1c1cccc(Br)c1	5568515	OWMVHDPTATUVCX-AWEZNQCLSA-N	359.179	3.078	50	40	FGGB	
O=C(CCCCCC(=O)N/N=C1\C[C@@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@@H]12	13969948	SXKAAWNQVZBUID-MJLYEUBRSA-N	368.481	3.073	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C/[C@@H]2CC=CCC2)c(=O)n(-c2ccccc2)n1C	1452683	QAPMBUJIRRZXSL-VAFHRPCXSA-N	362.433	3.229	50	40	FGGB	
Cc1ccc(SCCC(=O)N/N=C/c2cccc3c2OCCO3)cc1	409122836	BXNFSFHIEIMWGN-DEDYPNTBSA-N	356.447	3.399	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCC#N	408851154	JAYRLNHCRGLJPZ-XKZIYDEJSA-N	363.373	3.498	50	40	FGGB	
C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@H]1c1ccccc1OC	19901132	OQTMDVYWUHITMD-QGZVFWFLSA-N	356.447	3.483	50	40	FGGB	
COc1cccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1OC	831213	IZYNMHPSMOEYRB-PVGUKEHMSA-N	358.463	3.476	50	40	FGGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(N2CCCC2)cc1	7384242	LOKMGSOXIFUQLI-WOJGMQOQSA-N	362.227	3.406	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Cl)cc1	5512047	TZQLISKHJHZWQP-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1[N+](=O)[O-]	59333758	WZFFXGYZGMWVFP-SXGWCWSVSA-N	352.394	3.306	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	3030106	IUCLFRUPTIGPOA-UDWIEESQSA-N	355.394	3.421	50	40	FGGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)NNC(=O)C1CCCCC1	5881690	ZAUNUBWBXFZKLU-UHFFFAOYSA-N	365.861	3.095	50	40	FGGB	
O=C(NNc1nc2c(Cl)cccc2s1)[C@@H]1COc2ccccc2O1	4121374	VTHTWNYNKKJQAD-LBPRGKRZSA-N	361.810	3.233	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1	59444387	BTUYXUOGYCTXCY-VXLYETTFSA-N	361.854	3.459	50	40	FGGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)c1C	33735450	CNBPZTQMOQMYSF-ZSOIEALJSA-N	368.389	3.312	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)c1ccccc1OCc1ccc(F)cc1	6652393	DTVIYMZVYCRZKH-UHFFFAOYSA-N	368.364	3.381	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1O	33341021	SJETXPAPDOHMPR-ODLFYWEKSA-N	351.318	3.324	50	40	FGGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C(C)C)cc1	15423130	OLXHOJDGMMTIBP-AWEZNQCLSA-N	355.276	3.428	50	40	FGGB	
O=C(CCl)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1	242648331	QSSIHJGBROADTD-WKILWMFISA-N	364.873	3.454	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c[nH]nc1-c1ccc(F)cc1	1087807	FMARNIFSRQDVHV-MRXNPFEDSA-N	350.353	3.031	50	40	FGGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1C(=O)c1ccccc1)C(N)=S	3277762	BEDRWLSRCKSUMP-RVDMUPIBSA-N	358.426	3.296	50	40	FGGB	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(F)c(Br)c1	7364632	KCTQYFIGHHRHOA-HNNXBMFYSA-N	360.186	3.389	50	40	FGGB	
CCc1cc(C(=O)NNc2nc3ccccc3c(=O)n2CC)sc1C	9857058	MKCDHWBDQRKDIY-UHFFFAOYSA-N	356.451	3.106	50	40	FGGB	
CC(=O)Nc1sc(C(=O)N/N=C/C=C/c2ccccc2)c(C)c1C#N	408721750	LOKNMHGFBILUKA-MBPRGYFXSA-N	352.419	3.316	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2ccsc2)C(C#N)=C(N)O3)c1	5139273	NQRGIICELSOXOP-CQSZACIVSA-N	350.403	3.365	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)COc2c(C)cccc2C)c(OC)c1	1434064	FTTXBUYAXHRWFV-RCCKNPSSSA-N	356.422	3.240	50	40	FGGB	
CCCc1c(/C=C(\C#N)C(=O)OC(C)C)c(OC)c2c(c1OC)OCO2	15085458	WQXWFJRKCWADMY-XYOKQWHBSA-N	361.394	3.244	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1	1319917	HKMHEYHJTMKECV-OMBDHMDGSA-N	356.422	3.443	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)ccc1O	1480589	VXXZLIRUQXBGNU-QDBSGRMGSA-N	362.813	3.280	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	58241400	JTPJVXTVXYPWRF-WOJGMQOQSA-N	358.401	3.486	50	40	FGGB	
CCOC(=O)NNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12	12760713	XKPCHDUSSKWSMY-UHFFFAOYSA-N	353.353	3.432	50	40	FGGB	
CCNc1nnc(S[C@@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)s1	7247375	HBVKWUXMNSLDQN-VIFPVBQESA-N	372.479	3.292	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@H]2c2ccc(C)cc2)cc1	8684210	UTBAJMATHYZKEM-IRXDYDNUSA-N	355.463	3.125	50	40	FGGB	
COc1cc(OC)cc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c1	38654610	QERXSVXNYQSVOL-UHFFFAOYSA-N	360.366	3.133	50	40	FGGB	
O=C(NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C12CC3CC(CC(C3)C1)C2	199417552	JWCABIHCZZDLIK-UHFFFAOYSA-N	360.370	3.163	50	40	FGGB	
COc1cc2c(cc1NC(=O)C/C(C)=N/NC(C)=O)oc1ccccc12	5369954	DPBBZDLIBCMTCZ-SRZZPIQSSA-N	353.378	3.435	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(Cl)cc2)c(OC)c1	5725255	KUAKEPPEDHTJMB-CIAFOILYSA-N	361.829	3.310	50	40	FGGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1cccs1)c1ccccc1	6280421	LGUWFVWWOMBCHJ-UHFFFAOYSA-N	365.414	3.075	50	40	FGGB	
N#CC(C#N)=C(N1CCCCC1)[C@@]1(C#N)[C@@H](c2ccccc2)C1(C#N)C#N	35325188	SRSOKKYNHVXFQA-GHTZIAJQSA-N	352.401	3.115	50	40	FGGB	
C/C(CC(=O)NCCc1ccccc1)=N\NC(=O)c1ccccc1Cl	100544248	JFVDWVOIKBDKFA-HYARGMPZSA-N	357.841	3.195	50	40	FGGB	
CC[C@]1(C)Cc2c(sc3nc(SC)nc(NNC(C)=O)c23)CO1	2437091	DHWZVPLTDAUHLA-OAHLLOKOSA-N	352.485	3.118	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(Br)s2)c1	33704915	IKCPSRDMLGPUDS-LZYBPNLTSA-N	366.240	3.233	50	40	FGGB	
CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	408826737	KQNPMMFURUHOFA-GXDHUFHOSA-N	352.346	3.035	50	40	FGGB	
CCN(C(=O)OCc1ccccc1)C1CCC(NC(=O)CCl)CC1	79411976	ITSMRJVDAHYVCB-UHFFFAOYSA-N	352.862	3.311	50	40	FGGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	1775964916	LKNSKPCQDPCYST-LJQANCHMSA-N	352.390	3.408	50	40	FGGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1ccc(F)cc1	32624764	MYIHOHVCLTUSAF-UHFFFAOYSA-N	355.325	3.024	50	40	FGGB	
C=C(C)CSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@H](C(=O)OC)C(=O)N1	40486375	IKPFYZROWPMKKJ-HOTGVXAUSA-N	356.447	3.042	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2cc(Br)ccc2OC)c1	8812863	VPCNVRCEPWNKEW-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
O=C(CCCC[C@H]1CCSS1)NCCc1nnc2ccccn12	22694874	QDEYXNLGBNVUQL-ZDUSSCGKSA-N	350.513	3.102	50	40	FGGB	biogenic
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	875363	CEEGOJFLGUTOSX-IBGZPJMESA-N	358.401	3.408	50	40	FGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1O)c1cc2cc(Cl)ccc2o1	409016137	CQDVFRWMSDSOOD-LSCVHKIXSA-N	359.725	3.464	50	40	FGGB	
CN1CSC2=C(C#N)[C@@H](c3ccc(Br)cc3)CC(=O)N2C1	20238290	MWUGGTKLPVGWIR-GFCCVEGCSA-N	364.268	3.094	50	40	FGGB	
N#CC1=CN2[C@H](C(=O)C3CC3)[C@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]2C=C1	4772877	LJVDCEOFBFTGQX-QYZOEREBSA-N	374.831	3.466	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)cc1	4837115	YOGCJDNRFRTHFV-VBKFSLOCSA-N	350.374	3.418	50	40	FGGB	
C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccc(N(C)CCO)cc3)cc2C1	4954306	XEQNROOJCONBGQ-CNRHGSOZSA-N	371.506	3.065	50	40	FGGB	
O=C(Cc1ccc(F)cc1)NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	15529081	RTASJZRPHBPPQR-UHFFFAOYSA-N	365.408	3.190	50	40	FGGB	
C=CCOc1ccc(/C=N\NC(=O)COc2cccc3cccnc23)cc1	409016075	BTHIQZVEWNXNBC-UCQKPKSFSA-N	361.401	3.329	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)C)cc2)cc1	409186775	HRQIYHHFZGHMKP-CIAFOILYSA-N	354.406	3.089	50	40	FGGB	
COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1[N+](=O)[O-]	947061	ULUHNZPPONVNBO-FYJGNVAPSA-N	363.373	3.449	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/C=C/c1cccc([N+](=O)[O-])c1	20100861	WQTCSZMRHBCASR-HOGMWEGNSA-N	369.377	3.188	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1OC	1497171	WKVDPKFGRXSUNE-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)S(=O)(=O)c1ccc(C)cc1	13135313	VNCATCFKJDHNCS-CXUHLZMHSA-N	373.430	3.359	50	40	FGGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)c1	6333580	PXOVAKNMLJQARU-UHFFFAOYSA-N	366.339	3.162	50	40	FGGB	
Cc1c(/C=N/NC(=O)c2ccccc2O)c(Cl)nn1-c1ccccc1	408895751	VQLOBISRYUGPAR-RGVLZGJSSA-N	354.797	3.304	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1	409122960	CRQCZDCMCUEDLX-CIAFOILYSA-N	361.804	3.080	50	40	FGGB	
COc1cc(/C=C(\C#N)C(N)=O)ccc1Cc1ccccc1Br	408867163	JSDWSYDICVQUOC-OVCLIPMQSA-N	371.234	3.441	50	40	FGGB	
O=C(c1ccccc1)N1C[C@H]2C[C@H](Br)[C@H]1[C@@H]2Br	100057973	DKFDXPLRTDNFPL-KXNHARMFSA-N	359.061	3.058	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	2053990	PMUNWRKWQMYMKT-OEAKJJBVSA-N	374.444	3.491	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@@H]1c1ccco1	9089304	AYWSGDIHENMCBK-ZDUSSCGKSA-N	371.393	3.129	50	40	FGGB	
CN(C)C(=S)N=P(c1ccccc1)(c1ccccc1)c1cccn1C	102134532	PBVMCJIOCWLEOO-UHFFFAOYSA-N	367.458	3.349	50	40	FGGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	2742058	KRPAJLXHFAMZIC-CIAFOILYSA-N	364.361	3.417	50	40	FGGB	
O=C(CN1CCCCC1)N/N=C/[C@H]1[C@H](c2ccccc2)C1(Cl)Cl	4520492	KKQDKBORWGZQOI-KWFIRXJUSA-N	354.281	3.162	50	40	FGGB	
CC(C)(C)c1ccc(/C(CCC(=O)O)=N/NC(=O)c2cccnc2)cc1	6509261	JVEBUCZEMQCBOL-OQKWZONESA-N	353.422	3.378	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2ccccc2o1	408811788	LYEJNJXXCGMVOM-GRSHGNNSSA-N	369.333	3.122	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccccc1C	408742928	CTDHOQXZFMBMPW-ZSOIEALJSA-N	367.361	3.466	50	40	FGGB	
CC(/C=N\NC(=O)C(=O)N/N=C\C(C)=C/c1ccccc1)=C/c1ccccc1	73062624	DDWMYLDFCXXFJT-DHPPPJQWSA-N	374.444	3.397	50	40	FGGB	
O=C(OC[C@@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](Cl)O1)c1ccccc1	4983235	MJTRUHKBJQWTOJ-GVDBMIGSSA-N	360.793	3.423	50	40	FGGB	
CC(C)Cn1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc21	6513073	RVZVJUVSWIROPX-GANRHZMWSA-N	351.450	3.499	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1cc(C(=O)O)ccc1Cl	59334482	WBVVCDBSMDXYOT-NVNXTCNLSA-N	371.824	3.441	50	40	FGGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)cc1OC	27018735	XSMBEJSKDNXKCV-ZFOVBUMHSA-N	358.438	3.076	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(F)c1	2165932	YLIQILKZHNRKHJ-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
COc1cc(C=C(C#N)C#N)ccc1OCC(=O)N1[C@@H](C)CCC[C@H]1C	13987530	DOQFXLARIYPOFQ-GASCZTMLSA-N	353.422	3.294	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(C)cc2)cc1[N+](=O)[O-]	408534380	VKGSKLOOZHBKAY-KGENOOAVSA-N	370.409	3.254	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	408589847	NCXSCZFFKOIHQG-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)ccc1O	408796892	QHFNVZWSTCLXOP-XNTDXEJSSA-N	366.373	3.123	50	40	FGGB	
COc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1cccc([N+](=O)[O-])c1	408543065	NIRHWXGTOWOTBQ-VGOFMYFVSA-N	369.402	3.375	50	40	FGGB	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=N/NC(=O)C1CC1	8105244	ZGVSBILPIBZDDC-UFWORHAWSA-N	351.237	3.407	50	40	FGGB	
O=C(NNC(=S)NCc1ccccc1)c1ccc(Cl)c(Cl)c1	15873282	LKSCQYMLNWRVRW-UHFFFAOYSA-N	354.262	3.303	50	40	FGGB	
O=C(CCl)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1	19797626	QUTHTXQRYNQVPI-UHFFFAOYSA-N	364.823	3.437	50	40	FGGB	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)c2ccc(OC)cc2)cs1	45615801	GPDQHPACWOPJJN-NTEUORMPSA-N	355.419	3.314	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1OC	2754538	YUDWFXGPUQMJLZ-BSYVCWPDSA-N	361.401	3.281	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2cccc(OC)c2OC)c(C)c1	408905663	BZOSRBFBVQNVPN-HYARGMPZSA-N	370.449	3.494	50	40	FGGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccnc2)cc1	408740215	DWORURNYMUJPFU-ZMOGYAJESA-N	356.385	3.296	50	40	FGGB	
CCOC(=O)N/N=C\c1ccc(OC(=O)c2cccs2)c(OCC)c1	30774307	HDDLHCLYGFRSLK-WQRHYEAKSA-N	362.407	3.446	50	40	FGGB	
CCn1c(C)c(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21	14134514	OTQCLJAEHWRHDD-WSDLNYQXSA-N	363.417	3.391	50	40	FGGB	
COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)c1	19861246	QLXMXGWWSOTIPC-UDWIEESQSA-N	355.419	3.469	50	40	FGGB	
CCOC(=O)c1cccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c1	44167941	WZAXIROHSKFIBC-UHFFFAOYSA-N	372.377	3.293	50	40	FGGB	
N#CC(=C1S[C@H]2CS(=O)(=O)C[C@H]2S1)c1nc2ccccc2s1	13301046	PPXUHJUSHORBBS-TXEJJXNPSA-N	366.514	3.134	50	40	FGGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	97990519	CWBMUVJXVQJBBK-XPETWMSZSA-N	353.466	3.125	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c(OC)c1	33762921	PETDVYKCLYUGJM-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)O[C@](F)(C(=O)F)C(F)(F)F	100045325	MNEZTIJYMZUPMM-SCSAIBSYSA-N	360.050	3.087	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC)c(O)c2)cc1	1319913	HKMHEYHJTMKECV-STCDJXRXSA-N	356.422	3.443	50	40	FGGB	
O=C(CBr)c1ccc(NS(=O)(=O)c2ccccc2)cc1	6858704	PZOOLGZWDJXKCO-UHFFFAOYSA-N	354.225	3.065	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@@H]2CCCO2)c(C)n1-c1ccc(F)c(F)c1F	43974409	JVTXWBJEVYATHN-XYJSHWMKSA-N	365.355	3.141	50	40	FGGB	
COc1ccc(/C=N/NC(=O)Cn2c(C)cc3ccccc32)cc1OC	4702605	ZUXPMHSSTKYEPH-CIAFOILYSA-N	351.406	3.117	50	40	FGGB	
O=C(CNc1ccccc1Oc1ccccc1)NNC(=O)c1ccccc1	9379470	NFHYWQDTELAFSH-UHFFFAOYSA-N	361.401	3.352	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C/c1cc2ccc([N+](=O)[O-])cc2nc1Cl	408729273	YVXHGTLSNIOAPB-RGVLZGJSSA-N	368.780	3.489	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	409227137	PFVPXYQYLQUPPQ-PWDRBQJJSA-N	364.401	3.023	50	40	FGGB	
COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccccn3)c2C)cc1	409235041	ASCFIGHMVDPMOK-UCQKPKSFSA-N	362.433	3.191	50	40	FGGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc(C(=O)O)cc1	31777348	YZBPFPVZXJGRJF-NVMNQCDNSA-N	371.443	3.237	50	40	FGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1O	36174673	KZBDMDKVDXJZLM-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2cccc(OC(=O)c3cccs3)c2)cn1	30803144	GMHQFVRKEVISGA-NHDPSOOVSA-N	365.414	3.435	50	40	FGGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1	3127158	LDWHFYFMRAVABP-KKBVUKDESA-N	364.232	3.321	50	40	FGGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CC3(C)OCCO3)cc2)cc1	6841177	YFGZGEUVVPISHG-HYARGMPZSA-N	368.433	3.177	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(Br)cc2)c1	3102553	GRNOBZRQGBJXTG-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
CCn1c(C)cc(/C=N/NC(=O)COc2cccc3cccnc23)c1C	409096558	KONYOIWANSWBAR-WSDLNYQXSA-N	350.422	3.202	50	40	FGGB	
O=C(NNC(=S)Nc1ccc(Nc2ccccc2)cc1)c1cccnc1	4677958	LWHBQXCNTJPBCB-UHFFFAOYSA-N	363.446	3.457	50	40	FGGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NC(N)=O	409242199	VKCLZGYTIIMMHN-YVMONPNESA-N	350.161	3.355	50	40	FGGB	
O=C(CCCOc1ccc(F)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	12908375	DYDDDBIKIWJPFW-UHFFFAOYSA-N	374.456	3.349	50	40	FGGB	
O=C(O)COc1cccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1	408926182	VUBAYQHHIRDGCQ-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
CCCC(=O)Oc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	783653	NITGLXPUEVJSAN-GOSISDBHSA-N	352.390	3.207	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@H]2C(C)=NN3c2ccccc2)cc1	16739644	YAZVEATZEAEAHG-QKNQBKEWSA-N	360.417	3.341	50	40	FGGB	
O=C(N/N=C\c1ccc(F)cc1)[C@@H]1COc2cc3ccccc3cc2O1	30802501	HBZUOWFGPQYZQO-SNINMWPCSA-N	350.349	3.269	50	40	FGGB	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccc(Cl)c1	6586943	UAVCFTHFJFZUSM-SNVBAGLBSA-N	353.205	3.222	50	40	FGGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)Cc1cccs1	101960462	LGBLRXRZLDZVIB-UDWIEESQSA-N	363.870	3.143	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1	937416	HXKUILYILWZYDA-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1cccs1)[C@@H](c1ccco1)C(C#N)=C(N)O2	1262906	DTCIWLWACJZODE-MRXNPFEDSA-N	365.414	3.078	50	40	FGGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C/c1ccc2c(c1)OCO2	2297648	YUYAVSPRCYZKLO-WVSDFXKZSA-N	355.221	3.457	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c(C)c1	408674420	ZKAOIENVWXUKEE-CQSZACIVSA-N	354.362	3.170	50	40	FGGB	
O=C1S[C@@H](Br)C(=O)N1Cc1ccc(Br)cc1	12136869	GMRJLFISRBTDEV-MRVPVSSYSA-N	365.046	3.366	50	40	FGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cc(OCC)c1O	13425311	XGNCMYKXBFEFKL-YBEGLDIGSA-N	352.390	3.336	50	40	FGGB	
CCOC(=O)/C(C#N)=C1/C(=O)N2c3c1cc(OC)cc3[C@H](C)CC2(C)C	2358253	BZZIVWSUSFNLMF-GTVMRRANSA-N	354.406	3.168	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)N1CCCCC1	58914494	PGQZUCKYSFYDFU-NDENLUEZSA-N	359.813	3.063	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1csc(N)n1	54279197	AFORMMXSHFHCIX-FYJGNVAPSA-N	353.451	3.287	50	40	FGGB	
NC(=O)N/N=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12	409064857	QLBSGTZEFVQVQQ-YXSASFKJSA-N	359.748	3.217	50	40	FGGB	
Cc1ccc(CSCC(=O)N/N=C/c2ccc(OCC#N)cc2)cc1	408862107	XEJVVHCQUYUJPE-CIAFOILYSA-N	353.447	3.281	50	40	FGGB	
Cc1oc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1Br	408867064	IBDMFLIHVSNEQM-FRKPEAEDSA-N	366.171	3.331	50	40	FGGB	
Cc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	408569048	YMJXOPJJTKKRGM-MFOYZWKCSA-N	362.183	3.430	50	40	FGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cccc(C)c2nc1Cl	1223575	OSOQKFJHSSUMST-OAHLLOKOSA-N	369.808	3.451	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1	694953	RFNSFUCRTYDJNC-CIAFOILYSA-N	368.824	3.357	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cc2cc([N+](=O)[O-])ccc2s1	107888691	JEHFRWZQMXBSCX-VIZOYTHASA-N	360.307	3.075	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc1OC	409359237	ANYFPYGORXXPID-CIAFOILYSA-N	351.406	3.186	50	40	FGGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1C	408850974	SRCRPIBBJREURM-GNKPEBMXSA-N	355.394	3.311	50	40	FGGB	
Cc1cccc(C)c1NCC(=O)N/N=C\c1cc2c(cc1Cl)OCO2	30738329	NZOQLDHOPKKWJJ-WNFQYIGGSA-N	359.813	3.248	50	40	FGGB	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)NCCc1c[nH]c2ccccc12	874185	JAXTYXZVQMPHPD-CXUHLZMHSA-N	359.385	3.162	50	40	FGGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)c2cn(C)c3ccccc23)c1C	8140868	QOVVMYQGMHNBNB-OAHLLOKOSA-N	365.433	3.024	50	40	FGGB	
COc1ccc(-c2[nH]nc3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)cc1	803945	JYAJWPPKNBDODO-INIZCTEOSA-N	362.364	3.443	50	40	FGGB	
COc1cccc(/C=N\NC(=O)c2ccccc2Br)c1OC	33906833	BZWDLDVSPHXYEY-ZDLGFXPLSA-N	363.211	3.230	50	40	FGGB	
O=C(NN=C(c1ccccc1)c1ccccc1)c1ccnc(-n2ccnc2)c1	58067400	GNJYULHDKRUXRN-UHFFFAOYSA-N	367.412	3.450	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C)CC2)c(C)n1C[C@H]1CCCO1	49910167	YVGIAPHXKWOVDT-QDDTUJKSSA-N	355.482	3.449	50	40	FGGB	
C=CCc1cc(/C=N\NC(=O)[C@H](C)Oc2ccccc2)cc(OC)c1O	32112098	RKCINTCAFMKTNK-DTHVTWRFSA-N	354.406	3.047	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cccc([N+](=O)[O-])c1	38198458	XTMGKFONWRUGOS-NDENLUEZSA-N	363.377	3.161	50	40	FGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)c([N+](=O)[O-])c1	805310	ARXLLIKHUUPQTH-VCHYOVAHSA-N	355.306	3.220	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSCc2ccccc2Cl)c1O	5361683	FSSRKHGJIFEQHX-DJKKODMXSA-N	364.854	3.438	50	40	FGGB	
Cc1ccc(NC(=O)COc2ccc(/C=N\NC(=O)C(C)C)cc2)cc1	58883316	PRQIVQMJJNOAMJ-MTJSOVHGSA-N	353.422	3.119	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)cc1	6233470	LVCMIBCTHWVLMP-GDNBJRDFSA-N	366.373	3.123	50	40	FGGB	
CCCn1c(O)c(C(=O)N/N=C/c2ccc(F)cc2)c(=O)c2ccccc21	5739071	HVVQNOBKKNDOER-WSDLNYQXSA-N	367.380	3.020	50	40	FGGB	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C/C(=N/NC(N)=O)c1ccccc1	4267080	SQVJKDBXGKCJLD-ZSQRGAPPSA-N	359.470	3.453	50	40	FGGB	
Cc1c(C(=O)OC(C)C)sc(NC(=O)CCl)c1C(=O)OC(C)C	2737246	DIKYKFMMXOFHLE-UHFFFAOYSA-N	361.847	3.364	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)c1ccncc1	408837260	BBZHGAFLTMPXOE-JMIUGGIZSA-N	354.297	3.153	50	40	FGGB	
Cc1nc2cc(C(=O)NNC(=O)c3ccco3)ccc2n1-c1ccccc1	12627736	NLXBRLGFTCNWPD-UHFFFAOYSA-N	360.373	3.002	50	40	FGGB	
CCN1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2ccccc21	3471534	QDFJYXGBVJHYBL-QOCHGBHMSA-N	359.385	3.046	50	40	FGGB	
C/C(=N\NC(=O)c1cccnc1)c1cccc(NC(=O)c2ccccc2)c1	408839882	CYIIXBLCYHKUNS-BUVRLJJBSA-N	358.401	3.488	50	40	FGGB	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NNC(=O)c1cccs1	9449346	WSBZBTPHWXZOLY-LLVKDONJSA-N	352.843	3.247	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	408794383	IEGCBHFIBCKGAM-GXDHUFHOSA-N	370.792	3.437	50	40	FGGB	
CSc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1	409152406	KGUIIILZHNVFEE-IXGURIBZSA-N	367.474	3.220	50	40	FGGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccccc1	35147345	RDGANQNNLDDWSQ-YBEGLDIGSA-N	354.793	3.107	50	40	FGGB	
CCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOCC3)c2C)cc1	1211976	YQCLCFOPZOERKO-XSFVSMFZSA-N	363.461	3.422	50	40	FGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	5383835	WIAFMCMURBFKQJ-FYJGNVAPSA-N	353.422	3.082	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)NC(N)=O)c(C)n1-c1cccc2ccccc12	20920603	DPNLZDHEEFIDOP-GZTJUZNOSA-N	358.401	3.349	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c1OC	799103	FDIOYWQZOVYAAL-VXLYETTFSA-N	371.418	3.087	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O1	1446321	YDSKQZNNDAGJMG-HNNXBMFYSA-N	357.366	3.020	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)[C@H](C)Sc2ccccn2)cc1OC	5130211	DZINADJPHGJVTB-DZUMZMOTSA-N	359.451	3.120	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1cc2cc([N+](=O)[O-])ccc2o1	408964346	QYFHXUUPXCQPFJ-QGMBQPNBSA-N	359.725	3.464	50	40	FGGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc(O)c1	1453917	WGERCRPXGFSSMI-IZZDOVSWSA-N	359.179	3.406	50	40	FGGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(SC)cc2)CC(=O)N1	6326380	RHQXCWVEIHVIDJ-CYBMUJFWSA-N	362.476	3.043	50	40	FGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1	59459584	PYXVRUVYXPTRGG-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)CCCSc2nc3ccccc3[nH]2)cc1	2656058	RJZOPPKOKOFGCN-UHFFFAOYSA-N	368.462	3.205	50	40	FGGB	
O=C(O)c1cc(F)c(CBr)c(I)c1	169796688	ZHJLWZXOONXMJO-UHFFFAOYSA-N	358.932	3.023	50	40	FGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1OC	982381	WOERABKYRYGIRX-UHFFFAOYSA-N	369.204	3.085	50	40	FGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CC(C)(C)C)c(OC)c1	1917845	TVGSGCYGTIUIRQ-XNTDXEJSSA-N	356.422	3.246	50	40	FGGB	
O=C(C[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)OCCCl	12651888	BDPLVRYLXMXINT-MRXNPFEDSA-N	357.793	3.196	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)s3)[C@H]2C1	17143916	CLOGVZUTBLRIDT-BBRMVZONSA-N	369.881	3.147	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2cccc(C)c2)cc1	4405653	NZWASRVBMRZHBJ-OEAKJJBVSA-N	366.421	3.088	50	40	FGGB	
Nc1ccccc1C(=O)N/N=C(/Cn1cnc2ccccc21)c1ccccc1	4498614	OYYLLBNIYHVHPR-QQTULTPQSA-N	369.428	3.453	50	40	FGGB	
COc1ccc(F)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	2595456	ZVYKIUBDOZHMNW-MRXNPFEDSA-N	364.332	3.159	50	40	FGGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1ccccc1Br	59435837	BTJKYDUUMMRYRG-UHFFFAOYSA-N	354.248	3.460	50	40	FGGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccccn1	59302956	LEDILQGFOBISKN-UDWIEESQSA-N	369.222	3.399	50	40	FGGB	
O=C(CSc1ccccc1)N/N=C/c1cccc(OC2CSC2)c1	408856940	IJSRGINHPLNSIY-VXLYETTFSA-N	358.488	3.423	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(OC)c1O	4503315	VCNITLWNBXRIIP-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
CCN1CC=C2[C@H](C1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N	19853183	JMGUNBRJOCQPKP-LRDDRELGSA-N	369.881	3.147	50	40	FGGB	aggregator
CC(=O)N1CCc2c(sc(NC(=O)[C@H](Cl)c3ccccc3)c2C#N)C1	74941577	DIUPXPBWIHSLHU-MRXNPFEDSA-N	373.865	3.443	50	40	FGGB	
CCc1sc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-]	1085476	NHSZSIUHQJTXJS-CAOOACKPSA-N	367.814	3.401	50	40	FGGB	
O=C(O)CS[C@H](NNC(=O)c1ccccc1Cl)c1ccccc1	16758390	JCOARPABALKPOS-INIZCTEOSA-N	350.827	3.091	50	40	FGGB	
CCCc1n[nH]c2c1[C@H](c1c(F)c(F)c(F)c(F)c1F)C(C#N)=C(N)O2	4494671	JWGULBFBQSGWDN-SSDOTTSWSA-N	370.281	3.276	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)ccc2O)cc1	873093	PXJCZRMPXBDNSX-DJKKODMXSA-N	362.227	3.025	50	40	FGGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)O)NC3=C2C(=O)CCC3)cc1	100924490	SJKZISIUGAYOTM-QGZVFWFLSA-N	354.431	3.242	50	40	FGGB	
O=C(NCCc1ccc(C(F)(F)F)cc1)NNC(=O)Nc1ccccc1	32923852	QEOMVLXIUQSGGG-UHFFFAOYSA-N	366.343	3.284	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2cc(C)ccc2C)c(O)c1	6350059	DXLMVOPHLXRCHU-LPYMAVHISA-N	369.465	3.384	50	40	FGGB	
COc1cc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1O	6363709	WPNNJUCVWVWKGW-RGVLZGJSSA-N	362.813	3.362	50	40	FGGB	
COc1cccc(/C=N/NC(N)=O)c1OCCCOc1ccc(C)cc1C	4588367	RECNYELTDDFNIV-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)Cn1cnc2ccccc21	7993319	XSXCKTPBULBROP-FSJBWODESA-N	358.401	3.348	50	40	FGGB	
CCOC(=O)c1c(-c2ccc(F)cc2)csc1N/C(C)=C(\C#N)C(N)=O	7779159	WCGYCZTWJCPJNS-JLHYYAGUSA-N	373.409	3.426	50	40	FGGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl)c1ccccc1	3085160	IGPGDDYJGFNUEI-JZOCJUILSA-N	364.232	3.321	50	40	FGGB	
CC(C)(CCl)C(=O)Nc1ccc(Cl)c(N2CCCS2(=O)=O)c1	5339485	DZTZNMSDLCGIJU-UHFFFAOYSA-N	365.282	3.083	50	40	FGGB	
CCOC(=O)[C@@H](C(=O)CBr)c1ccc(C(F)(F)F)cc1	1857794464	IMYPDLSECYQHIR-LLVKDONJSA-N	353.134	3.316	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)c(OC)c1	59516147	VWBVMPGKKWXQPX-AWQFTUOYSA-N	372.812	3.077	50	40	FGGB	
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	2738427	QMRYLGUUOWWESA-VCHYOVAHSA-N	365.773	3.459	50	40	FGGB	
CCC1=C(C(=O)OC)[C@H](c2ccc(Br)cc2)C(C#N)=C(N)O1	706896	ISGIOVAOAQCHGT-CYBMUJFWSA-N	363.211	3.094	50	40	FGGB	
COc1ccccc1C1(CNC(=O)/C(C#N)=C\c2ccco2)CCOCC1	56460200	YPXATLIUDQERCJ-SSZFMOIBSA-N	366.417	3.060	50	40	FGGB	
O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1cccc(-n2cccc2)c1	409093870	BFGVVGKTGFTNOR-QJOMJCCJSA-N	374.444	3.078	50	40	FGGB	
CCN(C(=O)CCl)[C@@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1	79392691	OUUXPGNENYIVTB-JKSUJKDBSA-N	352.862	3.311	50	40	FGGB	
CC(C)Sc1ncccc1C(=O)NNC(=O)c1c[nH]c2ccccc12	40120806	NGHWDZQANVKTGN-UHFFFAOYSA-N	354.435	3.138	50	40	FGGB	
O=C(N/N=C/c1cccnc1)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532839	YNXXUAWDFJILHC-QALSOINYSA-N	359.385	3.113	50	40	FGGB	
COC(=O)N/N=C/c1ccc(OCCCOc2cccc(OC)c2)cc1	4545183	MNEQUKJSHRYFLK-XSFVSMFZSA-N	358.394	3.233	50	40	FGGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1	3084129	YWSXRLVTXGDGCC-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
COc1cc(C(=O)NNc2nc3ccc(C)cc3s2)cc(OC)c1OC	4121380	DLYZEFVCQFKMTF-UHFFFAOYSA-N	373.434	3.387	50	40	FGGB	
COC(=O)c1ccc2c(c1)N[P@@](=O)(N(CCCl)CCCl)N2	104048816	SJFZHHGDRKCBBP-OAQYLSRUSA-N	352.158	3.198	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	800601	LNMHVPZYFVNTMN-IBGZPJMESA-N	352.390	3.408	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(O)c1	3039381	AEBYYBYHSALTQI-HZHRSRAPSA-N	360.413	3.087	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1OC	408970453	IDSIXZFHENANMP-RGVLZGJSSA-N	354.362	3.223	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(N)=O)c3ccccc23)c(C)c1	33382639	BXWMFNFFDZUJLO-YBEGLDIGSA-N	372.428	3.289	50	40	FGGB	
Cn1cc(CCCC(=O)Nc2ccc3c(c2)C(=O)OC3=O)c2ccccc21	97977255	OOTMPDLGLMQZIH-UHFFFAOYSA-N	362.385	3.450	50	40	FGGB	
C/C(=C(/C#N)P(=O)(c1ccccc1)c1ccccc1)N1CCOCC1	3249607	ZJHLCFSIPZXQOA-LVZFUZTISA-N	352.374	3.088	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OC)c(OC)c2)c(C)c1	1434882	ZBJBFWAJPLKWMM-HYARGMPZSA-N	370.449	3.494	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	880884	FBPVUEOBFKYRLD-RGVLZGJSSA-N	371.393	3.127	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc([N+](C)(C)C)cc1	2275314	YWUJQRAAFMZDKZ-GOSISDBHSA-N	352.458	3.334	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCCC(C)C	2306469	GZDNHUXWCZPKKW-ZKTNYTPDSA-N	372.465	3.322	50	40	FGGB	
NC(=O)N/N=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	408881325	KUGYZSAQDVPYBI-UFWORHAWSA-N	352.177	3.215	50	40	FGGB	
CCN(CC)c1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@H]2C#N)o1	408820804	YVOOGEFDJLCJLO-MFSFNIDZSA-N	374.448	3.334	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)NNC(=O)c1ccc(Cl)cc1	5704664	FXMRZQHNYRINBO-UHFFFAOYSA-N	367.630	3.106	50	40	FGGB	
COc1cc(OC)cc(C(=O)NNc2nc3c(F)cc(F)cc3s2)c1	4121487	VNMWLLXSZLHXSE-UHFFFAOYSA-N	365.361	3.349	50	40	FGGB	
O=C(NCC[C@H]1c2ccccc2CCN1C(=O)CCl)C1CCCCC1	3110502	WWQJZOAYSYJSFZ-SFHVURJKSA-N	362.901	3.438	50	40	FGGB	
CCOC(=O)/C(C#N)=C1/C(=O)N2c3c(cc(OCC)cc31)C(C)=CC2(C)C	2324465	ILIJOAQRKJVBQZ-WUKNDPDISA-N	366.417	3.468	50	40	FGGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)C(=O)NC(=O)Cc1ccccc1	4419685	OAZUVNVRGFUQBX-NTCAYCPXSA-N	353.809	3.353	50	40	FGGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccc(O)cc1	409237264	JDJHFFMIQJKFET-KGENOOAVSA-N	353.422	3.155	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc([N+](=O)[O-])c1O	35406315	GQFGEGARPHEBOB-RGVLZGJSSA-N	371.393	3.370	50	40	FGGB	
CC(C)(C)OC(=O)OC(=O)Oc1ccc(CSS(C)(=O)=O)cc1	72399481	UXATZDNKAGFYCH-UHFFFAOYSA-N	362.425	3.330	50	40	FGGB	in-vitro
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1	107726120	IFJZKRLPFQJGAW-KGENOOAVSA-N	352.438	3.255	50	40	FGGB	
CN1C(=O)/C(=N/NC(=O)CSCc2cccc(Cl)c2)c2ccccc21	409328750	APLSRVDHJWJPLZ-HEHNFIMWSA-N	373.865	3.070	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Br)s1	33732443	PFTYUPHZCQEWKC-NVNXTCNLSA-N	368.212	3.112	50	40	FGGB	
CCN(C(=O)CCl)[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1	79392696	OUUXPGNENYIVTB-HZPDHXFCSA-N	352.862	3.311	50	40	FGGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(F)cc2)c1	8812261	JXGPAXVMARLDQO-QGMBQPNBSA-N	367.174	3.066	50	40	FGGB	
C#CCOc1cccc(/C=N/NC(=O)c2ccc(Br)cc2)c1	409369072	ACPLGSKHHTXHAQ-XDHOZWIPSA-N	357.207	3.225	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)N/N=C3\C(O)=Nc4ccc(F)cc43)ccc21	5160922	FUBSWIZNZRDDPA-UHFFFAOYSA-N	365.368	3.239	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(OCC)c1	408967058	OZSAOWOVSBDMAT-WSDLNYQXSA-N	355.369	3.259	50	40	FGGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)CC(=O)N1	9363563	BBWMHSVRFDEKCR-OAHLLOKOSA-N	358.463	3.445	50	40	FGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408526149	AJYPLSLNWCAUMC-UDWIEESQSA-N	365.345	3.384	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC	409364604	OCHJMYLMAMXKFU-SRZZPIQSSA-N	361.829	3.310	50	40	FGGB	
C#CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OCC	408776496	ZVKGVPJVVGTUSQ-PDGQHHTCSA-N	352.434	3.257	50	40	FGGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1O	409242546	OKSIUJACVVVMFV-IYVNWDGISA-N	367.361	3.093	50	40	FGGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	5513693	WCVVBODFSHYXHL-UHFFFAOYSA-N	360.413	3.366	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(Br)o2)cc1OC	994044	YFSNCKVZBGQZJD-RQZCQDPDSA-N	367.199	3.213	50	40	FGGB	
CCCOc1ccc(/C=N/NC(=O)CSc2ccccn2)cc1OC	13284487	MPRZGJDJVANJAL-UDWIEESQSA-N	359.451	3.121	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1cccs1	408589781	MVTFDNUCYVYSJU-VGOFMYFVSA-N	354.185	3.183	50	40	FGGB	
COc1cc(C=O)ccc1OC[C@H](O)C[C@H]1C=C(C=O)c2ccccc21	95117202	SUMOGIHYJKLDLE-NVXWUHKLSA-N	352.386	3.017	50	40	FGGB	
CC(C)c1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccs2)cc1	6358929	ADHFIYSNSWAUDE-JXMROGBWSA-N	373.503	3.220	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1	7009613	WRBXJPAFEHQTEF-TXNBCWFRSA-N	357.282	3.253	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)cc1	107985287	KFVGFYULILKVFF-VXLYETTFSA-N	374.238	3.480	50	40	FGGB	
CNS(=O)(=O)c1ccc(-c2ccc(/C=C(\C#N)c3ccccn3)o2)cc1	25887081	NPJBYIWONGXBHK-NTCAYCPXSA-N	365.414	3.314	50	40	FGGB	
CCOc1cccc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(OC)cc2)c1	5634153	FLXFBUIZUAUKBX-XKZIYDEJSA-N	364.405	3.248	50	40	FGGB	
O=C(CCc1c[nH]c2ccccc12)NNC(=O)c1ccccc1-n1cccc1	5701651	PQSFCACLSNDELU-UHFFFAOYSA-N	372.428	3.352	50	40	FGGB	
CC1(CC(=O)N/N=C/c2cc3cc(Cl)ccc3nc2Cl)OCCO1	408727747	GHKIJILNAQXFIM-DJKKODMXSA-N	368.220	3.145	50	40	FGGB	
Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(C)c2)c1	17122664	VIRPHQULTKLHPH-UHFFFAOYSA-N	372.432	3.498	50	40	FGGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1	408971109	MEOUVIOMJHRQGQ-WSDLNYQXSA-N	361.401	3.251	50	40	FGGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	3083610	VHOJSIVUIMIVRB-UFFVCSGVSA-N	371.780	3.073	50	40	FGGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1c[nH]nc1-c1cccnc1	10946822	PETBUQRCQYBOTG-FSJBWODESA-N	371.400	3.154	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2)CC(=O)N1	2476056	QEAYRMYHLHVZFK-ZDUSSCGKSA-N	364.854	3.365	50	40	FGGB	
COc1ccc(NC(=O)COc2ccc(C=C(C#N)C#N)cc2OC)cc1	847139	CHGCEVZTQMMEJC-UHFFFAOYSA-N	363.373	3.152	50	40	FGGB	
O=C(CC(c1ccccc1)c1ccccc1)NNC(=O)c1ccccc1O	15544171	YRIHNTLWSRTOIF-UHFFFAOYSA-N	360.413	3.375	50	40	FGGB	in-vitro
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)Cc1ccc(Cl)cc1	4554848	MOYGRDWPRICBMC-CIAFOILYSA-N	368.824	3.233	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)c2cn(C)c3ccccc23)cc1OC	4834591	RBKMHTAITYKARD-FYJGNVAPSA-N	351.406	3.350	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2nc(SC(C)C)ncc2Cl)cc1	27995557	UILRNKQQFOHAML-UHFFFAOYSA-N	364.858	3.014	50	40	FGGB	
CCCCCCn1c(S[C@H](C)C(=O)NNC(C)=O)nc2ccccc21	95468554	SGULOMLPNQKAGV-CYBMUJFWSA-N	362.499	3.265	50	40	FGGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(Br)s2)c1	408997123	RHVHXKGVXJGTJL-CXUHLZMHSA-N	352.257	3.341	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)c1	5539450	HLQPAMJPBPVICR-VMPITWQZSA-N	358.825	3.196	50	40	FGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC	1065977	QJZKEZKRMPXVTJ-HNNXBMFYSA-N	368.437	3.333	50	40	FGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccccc1N	100613989	DXFOFVKEIGYLHO-ZVHZXABRSA-N	364.449	3.282	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(OC)cc2)cc(OCC)c1O	59679520	IJMGCNTZFRIIHZ-FYJGNVAPSA-N	354.406	3.292	50	40	FGGB	
CCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21	3575159	PEWCGBJSDBSGHK-UZYVYHOESA-N	351.406	3.063	50	40	FGGB	
CCCc1ccc(OCC(=O)NNC(=S)Nc2ccc(C)cc2)cc1	4575431	JMDPUFUFQRRTEN-UHFFFAOYSA-N	357.479	3.344	50	40	FGGB	
CCCCOc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OC	19597236	IEHKQKIGUVJWJG-UHFFFAOYSA-N	356.451	3.092	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c(C)c1	6209838	MSOPSSWXPRGMIX-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
COc1cccc(NC(=O)C/C(C)=N/NC(=O)c2ccccc2Cl)c1	100884795	NUJWIRGJDLIOHG-CIAFOILYSA-N	359.813	3.483	50	40	FGGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cccs1	101732623	WIHVKYXEWFGHEF-DYTRJAOYSA-N	361.426	3.429	50	40	FGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(F)c1	840370	NKVZOVZORZGFMZ-VIFPVBQESA-N	371.195	3.361	50	40	FGGB	
N#CC1=C(N)Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccccc1	938963	NFTKPEVWCOWCQE-INIZCTEOSA-N	360.446	3.279	50	40	FGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc(C(F)(F)F)c1	1057464	MCJJHCBDYSFOHI-AWEZNQCLSA-N	352.312	3.350	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1C	1434860	BUQNFMNSXVIBKM-DEDYPNTBSA-N	355.394	3.385	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)NCCC2=CCCCC2)cc1	3281118	DYUCXBBSTMZUDC-QGOAFFKASA-N	368.433	3.152	50	40	FGGB	
N#CC(C#N)=Cc1cc(Br)c(O)c(I)c1	408725850	LEMSODAWBMXBOY-UHFFFAOYSA-N	374.963	3.190	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1	5712784	VSCWRPNZKBQXFF-FOWTUZBSSA-N	350.374	3.418	50	40	FGGB	
CCCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	5044931	APDLTSYKHNGKFP-KRWDZBQOSA-N	354.410	3.124	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C\C=C\c2ccc([N+](=O)[O-])cc2)c(C)c1	13880648	AYQXKXUUQMXKGF-MYYDXURCSA-N	353.378	3.406	50	40	FGGB	
O=C(CSc1ccccc1)NNC(=O)c1cc2ccccc2cc1O	6890173	CLNPKUMXGSDBBE-UHFFFAOYSA-N	352.415	3.099	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)CNc1ccc(F)cc1	7061767	NEMDKLLKJGASTQ-FSJBWODESA-N	365.412	3.190	50	40	FGGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1	408999090	KAARYKMYUNNXEM-CIAFOILYSA-N	364.405	3.409	50	40	FGGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c2C)c1	408884502	YFHLXFARSLWGNE-WSDLNYQXSA-N	368.481	3.076	50	40	FGGB	
O=C(CBr)Nc1cccc(OCCOc2ccccc2)c1	35605134	CKCHTVXFKHSMIV-UHFFFAOYSA-N	350.212	3.478	50	40	FGGB	
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21	408731335	JUYKGVBGMYOPRI-UHFFFAOYSA-N	363.245	3.241	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1	3060041	LZHMRUKGTWEOAZ-CIAFOILYSA-N	371.824	3.302	50	40	FGGB	
O=C1O[C@H]2CC[C@H](Br)C[C@H]2C=C1C1CCC([N+](=O)[O-])CC1	5328162	KQVPHROCNMQHTB-NRADZSGXSA-N	358.232	3.237	50	40	FGGB	
O=C(CCCCCC(=O)N/N=C1\C[C@@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@H]12	13969944	SXKAAWNQVZBUID-MBLIOTGZSA-N	368.481	3.073	50	40	FGGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1	7157994	CWBMUVJXVQJBBK-GNLACTJSSA-N	353.466	3.125	50	40	FGGB	
CCO/C=N\C1=C(C#N)[C@@H](c2ccccc2)c2c(nn(C(C)=O)c2C)O1	20315539	XHMBKUNGXZYRMD-BYINCCNUSA-N	350.378	3.176	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)c2ccc3ccccc3c2)cc1	6569419	ADDXPOFMPKLRBP-UHFFFAOYSA-N	351.431	3.480	50	40	FGGB	
N#Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	1091588	QALVKCAQKPJXQY-VXLYETTFSA-N	352.444	3.410	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)CNc2ccc(F)cc2)cc1[N+](=O)[O-]	409349333	PWQKJOCEELYSHP-CIAFOILYSA-N	374.372	3.085	50	40	FGGB	
O=C(N/N=C/c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1	409005272	GYNVAQHAPBBBGG-HYARGMPZSA-N	369.852	3.343	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)c1C	408795071	JZWKLVQVCYHYFT-FOWTUZBSSA-N	351.406	3.279	50	40	FGGB	
BrC[Si](c1ccccc1)(c1ccccc1)c1ccccc1	195774360	JQHKVKHYIGRZLW-UHFFFAOYSA-N	353.335	3.091	50	40	FGGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C/C=C(C#N)/C=N\OC)cc1	17124016	BDVGRDASLCXXET-FVVHGTKNSA-N	370.453	3.193	50	40	FGGB	
CCN1CC=C2[C@@H](C1)[C@@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N	19853180	JMGUNBRJOCQPKP-WBMJQRKESA-N	369.881	3.147	50	40	FGGB	aggregator
CCCCOc1ccc(/C=N/NC(=O)[C@H]2COc3ccccc3O2)cc1	5420556	YBOQGKRQQJMGMN-DBRLUCFCSA-N	354.406	3.156	50	40	FGGB	
Cc1cc(N(CCC#N)CCC#N)ccc1/C=N/NC(=O)c1ccccc1	1648038	ZSEGDHLISCXXDD-LFVJCYFKSA-N	359.433	3.393	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2OC)c1	4525084	MAXAMSINHOIASJ-ZSOIEALJSA-N	368.389	3.267	50	40	FGGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cccc(Br)c1	6890234	YWMZOUJARXSDPV-PUMYGXPMSA-N	361.239	3.413	50	40	FGGB	
CO[C@H](C(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1	5356283	AXBNJBGRSUEDHE-PQFHHTBUSA-N	356.447	3.019	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@H]2[C@H]1c1ccccc1Cl	4631691	JORXQYWYJCBJJH-CJNGLKHVSA-N	352.850	3.497	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(O)ccc2Br)cc1	4608355	DBXGMZCVMLYIFG-DJKKODMXSA-N	362.227	3.025	50	40	FGGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Cl)OCO2	409366802	YNZADUAAKFZMKB-IFRROFPPSA-N	366.204	3.284	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)c(O)c1	409392674	RGCLNHKGIDWYLL-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408935417	FDMIQYRTPXYOJM-OVMKCGGTSA-N	374.872	3.112	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(Br)cc1	35393760	UWGWLDHJKAZSFB-YVLHZVERSA-N	362.183	3.050	50	40	FGGB	
C#CCn1c(C)c(/C=N\NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc21	33733517	SSMFPQYGPVPCSM-BKUYFWCQSA-N	360.373	3.255	50	40	FGGB	
O=C(N[C@@H]1CCCC[C@@H]1N(C(=O)CCl)C1CC1)OCc1ccccc1	79392775	KIJJMGLKGMQRTM-SJORKVTESA-N	364.873	3.454	50	40	FGGB	
CC(C)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CCl	79392707	WJHCHEJRMNKIJV-MRXNPFEDSA-N	352.862	3.263	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1	6293857	KVEGVQYKJURRMC-UFWORHAWSA-N	366.204	3.421	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@H]2CSCC=C12	1061493	MWSQBNLQCJIDNT-GOEBONIOSA-N	352.850	3.497	50	40	FGGB	
C[C@@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O	7928835	AJJJZUCLEOIAKP-DZGCQCFKSA-N	354.362	3.110	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2Cl)[C@H]2CNCC=C12	658824	IOYRPICKCWBFAJ-ZFWWWQNUSA-N	370.243	3.006	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)cc1	1319725	BJQUDZKWQQRSEQ-SRRANQMSSA-N	356.422	3.449	50	40	FGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1ccc(Cl)c(Cl)c1	4721031	JHJIXIHLGZDJEP-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)cc(Cl)c1O	4739454	KTTKMSMUKDXJGH-UFFVCSGVSA-N	361.829	3.315	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)cc1C	4703002	IHHRRWNYZXWSJQ-LSHDLFTRSA-N	363.339	3.411	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	408857259	NVXRYUBJAFJARG-ZSOIEALJSA-N	367.361	3.466	50	40	FGGB	
COc1cc(/C=C(/NC(=O)c2ccccc2)C(O)=C(C#N)C#N)ccc1O	16941786	WLTWCTXIZQLCBO-CXUHLZMHSA-N	361.357	3.031	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)c(OC)c1	6265967	VELVDLLLSQFMNN-CIAFOILYSA-N	351.406	3.268	50	40	FGGB	
COc1ccc(/C=C/C(=O)NN)cc1OC(=O)c1cccc2ccccc12	226365002	KGYULEYHLDHFID-ZRDIBKRKSA-N	362.385	3.071	50	40	FGGB	
COc1ccc(OC)c2sc(NNC(=O)c3ccc(N(C)C)cc3)nc12	4061275	WDHMRXZHUYQMHN-UHFFFAOYSA-N	372.450	3.136	50	40	FGGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(C(=O)OC)cc2s1	20132429	RAUDKJTVDGVYJK-QMMMGPOBSA-N	357.229	3.195	50	40	FGGB	
NNC(=O)c1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl	226319473	ZCSUWHXMGJWDCW-UHFFFAOYSA-N	356.165	3.084	50	40	FGGB	
O=C(CCCC[C@H]1CCSS1)Nc1nc2c(s1)C(=O)NCCC2	96124410	DJTJPVMVDPMVGP-JTQLQIEISA-N	371.553	3.472	50	40	FGGB	
O=C(COc1ccccc1)NNC(=O)Cc1coc2ccc3ccccc3c12	16756879	TVASGILHPDAHFF-UHFFFAOYSA-N	374.396	3.355	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)Cc2coc3cc(C)ccc23)c1	8401692	WMDPXGRYGYCUHX-UHFFFAOYSA-N	366.417	3.127	50	40	FGGB	
O=C(N/N=C1\[C@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(Br)C[C@H]4[C@H]3[C@H]12)Nc1ccccc1	104202594	HCFSRGORWIYYSO-CILVXIGZSA-N	372.266	3.459	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1cccs1)C(C#N)=C(N)O2	1256033	PXONLGDQZGGYBF-INIZCTEOSA-N	365.414	3.078	50	40	FGGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCC1)c1ccc([N+](=O)[O-])cc1	59488991	GMVDARQMKQXQSA-UHFFFAOYSA-N	371.315	3.179	50	40	FGGB	
COc1ccc2c(Cl)c(C(=O)NN=C3CCN(C)CC3)sc2c1	57376031	MEWKZTQAFXXWDJ-UHFFFAOYSA-N	351.859	3.375	50	40	FGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccc(F)cc1	3449107	ISLLCICIUBQLKB-UHFFFAOYSA-N	364.804	3.408	50	40	FGGB	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccc(CCOC)cc2)cs1	6650697	XIWKCDXEMRSEQI-RVDMUPIBSA-N	357.435	3.381	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1	408962322	HIYBZPQJPHKLPG-AWQFTUOYSA-N	367.283	3.386	50	40	FGGB	
CCc1c(OC)ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)c1OC	831159	RGRSPOCMTXVQND-IOVUBPJKSA-N	356.422	3.104	50	40	FGGB	
COc1ccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1	831994	SHPSPEAMDYEDBN-UHFFFAOYSA-N	360.413	3.366	50	40	FGGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1ccc(F)cc1	1959717	KKWOQDIRMUBOQP-DJKKODMXSA-N	350.191	3.150	50	40	FGGB	
O=C(NN=C(c1ccccc1)c1ccccc1)c1n[nH]c(=O)c2ccccc12	6657895	CFIXUCRCQJAADB-UHFFFAOYSA-N	368.396	3.106	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	944852	KOXTUTWGUPZHJA-YBFXNURJSA-N	354.435	3.136	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cc1[N+](=O)[O-]	408871181	WJECMQBKJSZQTP-DJKKODMXSA-N	371.418	3.161	50	40	FGGB	
Cc1c(C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2F)oc2ccccc12	9155110	FYWRHGHQJZEMBD-HUUCEWRRSA-N	352.365	3.445	50	40	FGGB	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1	2374856	FEIAUMVEEDIHDA-RYFGYPJOSA-N	373.453	3.114	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@@H]1c1cccs1	846362	VCADBVSOQJIBTB-AWEZNQCLSA-N	364.386	3.085	50	40	FGGB	
CCN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	100178129	HZFHHPHIJGUYNA-IYBDPMFKSA-N	352.862	3.311	50	40	FGGB	
CCOc1cc(Br)cc(/C=N/NC(=O)c2ccccc2)c1O	4814058	AXPKUJRYOWHROL-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C/c1c(O)ccc2ccccc12	409366632	XITCZQYKNPXBBY-LPYMAVHISA-N	362.385	3.009	50	40	FGGB	
N#CCn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c2ccccc21	409378910	SEFUCZKBZXASQY-SSDVNMTOSA-N	366.808	3.347	50	40	FGGB	
Cc1ccc(/C=N\NC(=O)[C@H]2COc3cc4ccccc4cc3O2)s1	67197030	FERUNJBLWASCFJ-QOYJSAPCSA-N	352.415	3.500	50	40	FGGB	
CCO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C\c1ccc(OC)c(OC)c1	32216636	TZVCISFOGADYKA-UUMNEMFISA-N	368.433	3.106	50	40	FGGB	
Cc1c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C	17013321	QDUOCLSEXSLRSS-FOWTUZBSSA-N	360.373	3.457	50	40	FGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2cc(C)ccc2nc1Cl	870388	ROUFFNHQURXSPM-MRXNPFEDSA-N	369.808	3.451	50	40	FGGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccncc1	104332324	WPLPOENJBQKBDN-BKUYFWCQSA-N	365.264	3.130	50	40	FGGB	
C/C(CC(=O)Nc1ccccc1C#N)=N\NC(=O)c1cc(Cl)ccc1O	18093904	IMTHPDQBFLBRDX-SSDVNMTOSA-N	370.796	3.052	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1O	4812812	MGIAQZBEBMRVDI-MRXNPFEDSA-N	360.373	3.009	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)CC2(C)SCCS2)cc1OC	408591424	SZCLTGNZYQMLCE-BOPFTXTBSA-N	354.497	3.130	50	40	FGGB	
O=C(NC(=S)NNC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1	32119131	HZWINDWYPFVKOL-UHFFFAOYSA-N	374.274	3.004	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N=C(O)C(C#N)=C3C)o2)cc1	5876479	GXDSMAPWHOCAFR-DHDCSXOGSA-N	362.341	3.453	50	40	FGGB	
C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1499805	VBNWDWJGHOTOLM-HPAYWCODSA-N	369.406	3.102	50	40	FGGB	
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCCCBr	2570683	MVZFMBIPSGZNHF-UHFFFAOYSA-N	355.188	3.146	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(F)c(C)c1	8733240	BXODTLACKOMGBG-LBPRGKRZSA-N	359.239	3.143	50	40	FGGB	
Cc1cc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)ccc1F	8733243	HMULALSCJNUKPU-CQSZACIVSA-N	373.266	3.389	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2O)cc1	10475898	GSIXGKZTDQPOBR-FYJGNVAPSA-N	356.422	3.271	50	40	FGGB	
O=C1OC(=O)[C@H]2[C@@H]1C1c3ccccc3C2(Br)c2ccccc21	104252858	FBWNJSWBLCJXRF-QRHJNKNDSA-N	355.187	3.100	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)cc1	408883567	TZVJFRLFOCUGQF-MDWZMJQESA-N	356.765	3.378	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1OC	408969860	VTHDPBZMIPERDY-RGVLZGJSSA-N	354.362	3.223	50	40	FGGB	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1	5095223	XGUHRCKMPCSFTB-KRWDZBQOSA-N	372.384	3.332	50	40	FGGB	
COc1c(O)ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1[N+](=O)[O-]	4815538	LQBCVHOPFHHFPM-QGMBQPNBSA-N	363.757	3.035	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1cccnc1	409035752	KCPCHRLHBMKEJZ-KEBDBYFISA-N	354.297	3.153	50	40	FGGB	
O=C(N/N=C/c1ccc(Br)c([N+](=O)[O-])c1)c1cccc(F)c1	4150771	PVWCWGPJJHIDRU-CAOOACKPSA-N	366.146	3.260	50	40	FGGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)[C@@H]12	5416560	LFEYLUPXCSUZMC-SFHLNBCPSA-N	374.400	3.061	50	40	FGGB	
C/C(=N/NC(=O)c1nn(C)cc1Br)c1ccc2ccccc2c1	17076038	ZUMITLSSOGUZDG-ODLFYWEKSA-N	371.238	3.490	50	40	FGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1	59516283	OHMOLKYSTRUTNM-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
C=CCNC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914346	DRWPNOCZJLZIRM-UKWGHVSLSA-N	366.204	3.006	50	40	FGGB	
COC(=O)N/N=C/c1cn(CCOc2cccc(OC)c2)c2ccccc12	4091866	FTMKKPSVMFCCAD-FYJGNVAPSA-N	367.405	3.419	50	40	FGGB	
CCOC(=O)[C@@H](CC)/C(C)=N/NC(=O)c1cccc(Br)c1	4178044	ZHWKHAAJKAQVLB-VZWMTCDZSA-N	355.232	3.144	50	40	FGGB	
CC(C)OC(=O)CSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1	9109186	HXZFGCDXLXMQNJ-LBPRGKRZSA-N	364.854	3.363	50	40	FGGB	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)C(=O)NC1CCCC1	255886237	GJKPHHSURXNYAF-OWBHPGMISA-N	350.378	3.351	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	6210038	HIFZRHSQVZZYST-XMHGGMMESA-N	350.418	3.325	50	40	FGGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	1756374	ARPNIGPALYTRCJ-SFHVURJKSA-N	354.406	3.299	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)ccc1O	59473368	PEMHIQFZQPHQIW-KEBDBYFISA-N	358.463	3.401	50	40	FGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C(\C)CCc1ccccc1	58885838	MHPRKMYZOLKZSZ-PXLXIMEGSA-N	353.422	3.149	50	40	FGGB	
O=C1OC(=O)[C@H]2[C@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl	100004568	FLBJFXNAEMSXGL-DMSXIQSLSA-N	370.830	3.148	50	40	FGGB	
CC[C@@H](Oc1ccc(C)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1	12137395	QWKCWQPBQVWTHU-QGZVFWFLSA-N	360.841	3.196	50	40	FGGB	
COc1cccc2c1NC(=O)/C2=N/NC(=O)c1ccc(C(C)(C)C)cc1	59472666	IQOHYEUDXZOFJA-UHFFFAOYSA-N	351.406	3.079	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1	408790284	OQERIXWYSCRQBX-XFFZJAGNSA-N	370.321	3.195	50	40	FGGB	
CC1=NN(c2ccc(-c3nnc(SCCCCl)n3C)cc2)C(=O)C1	199746519	SAVUEZUPOXTHJW-UHFFFAOYSA-N	363.874	3.316	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)ccc1O	829285	KKOHUZKLUQFNFQ-DJKKODMXSA-N	364.854	3.438	50	40	FGGB	
BrCc1ccc(-n2cc(I)cn2)cc1	218034178	RHRZZYLAXUBDOM-UHFFFAOYSA-N	362.996	3.372	50	40	FGGB	
C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	3131122	BACBFTDLQQOQSJ-JZOCJUILSA-N	364.232	3.262	50	40	FGGB	
COC(=O)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	4631494	BONSHFTVXCKZDZ-INIZCTEOSA-N	372.384	3.081	50	40	FGGB	
O=C(COc1ccc(F)cc1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21284590	NLOWYKZADZCSFY-UHFFFAOYSA-N	373.262	3.275	50	40	FGGB	
CCOc1ccc([C@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1	841870	YAQUWGJPKLPVID-OAHLLOKOSA-N	374.462	3.109	50	40	FGGB	
C/C(CC(=O)Nc1ccc2c(c1)OCO2)=N\NC(=O)c1ccc(Cl)cc1	101158496	CBMKRPWXGALSRA-SRZZPIQSSA-N	373.796	3.203	50	40	FGGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccc(C(C)(C)C)cc1	100510147	IDNJABDBXSUOIY-HYARGMPZSA-N	355.438	3.389	50	40	FGGB	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccs2)N2NC=C(C#N)C2=N1	9484532	OZKRNIUGYCHFHR-QGZVFWFLSA-N	361.430	3.342	50	40	FGGB	
COc1ccccc1[C@H](NC(=O)OC(C)(C)C)c1noc(CCl)n1	70453763	FVVKUGCUEFABSO-ZDUSSCGKSA-N	353.806	3.431	50	40	FGGB	
CC(C)c1ccc(/C=N\NC(=O)CCCNC(=O)c2ccccc2)cc1	33413775	LJVLXZNGXWKRRM-HAHDFKILSA-N	351.450	3.470	50	40	FGGB	
COCc1n[nH]c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2	4643790	VIKHBTMFWRXMQG-SFHVURJKSA-N	358.401	3.441	50	40	FGGB	
C[C@@H](Sc1ccc2ccccc2n1)C(=O)NNC(=O)c1ccccc1	20026623	WQGDMIFSOFJHKO-CYBMUJFWSA-N	351.431	3.177	50	40	FGGB	
CCc1sc(C(=O)NNC(=O)c2cc(Cl)c(Cl)n2C)cc1C	32681819	ROVKWJHMGNKFCD-UHFFFAOYSA-N	360.266	3.339	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(OC)c1	2774243	QTKKBCJFENAJGY-RIYZIHGNSA-N	367.361	3.466	50	40	FGGB	
CN(C(=O)c1ccccc1NC(=O)CBr)C1CCCCC1	35605003	ZEQYCOHYFHSHOW-UHFFFAOYSA-N	353.260	3.425	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1OC	408540644	AQIIIJBEKOCUAJ-DHDCSXOGSA-N	366.373	3.338	50	40	FGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)C1CCCCC1	6598246	FZNSKEQGAHQCQQ-UHFFFAOYSA-N	352.434	3.460	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccc(F)c1F	4837642	KJXQHVHPDILLKJ-CQSZACIVSA-N	352.296	3.289	50	40	FGGB	
O=C(CN1CCSSCC1)Nc1ccc(Br)cc1F	89768245	SPRZGCPHCQOOSE-UHFFFAOYSA-N	365.293	3.224	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1	408893144	FVTQHJBDRMSEMM-KPKJPENVSA-N	368.305	3.057	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(N)=O)c3ccccc23)cc1	33613996	IJMLDECNWROADB-WJDWOHSUSA-N	372.428	3.235	50	40	FGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(C#N)cc1	8812660	UUNCSWQNVXWIAZ-VXLYETTFSA-N	358.195	3.093	50	40	FGGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/[C@H]3CCOC3)cc12	54278927	QCTLDTQREGEZMM-BUESGFEBSA-N	354.435	3.148	50	40	FGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC[C@@H]2C)c1	35189577	NWLZFGCAYMVXPO-STGLLQLASA-N	365.499	3.013	50	40	FGGB	
CC(=O)N/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	409020208	MRSHPDMJYKRGOC-RGVLZGJSSA-N	350.378	3.376	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccccc2C(=O)O)o1)c1ccccc1O	409059689	XAFCNRSELJCFRV-RGVLZGJSSA-N	350.330	3.114	50	40	FGGB	
CCCc1n[nH]c2c1[C@@H](c1c(F)c(F)c(F)c(F)c1F)C(C#N)=C(N)O2	4494669	JWGULBFBQSGWDN-ZETCQYMHSA-N	370.281	3.276	50	40	FGGB	
O=C(Cn1c(-c2ccccn2)nc2ccccc21)N/N=C/c1ccccc1	4815407	HPNNWWPRUADGCY-OEAKJJBVSA-N	355.401	3.249	50	40	FGGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1O)c1nn(-c2ccccc2)c(N)c1C#N	408721328	OWNWOHSNAFYZDC-UKTHLTGXSA-N	372.344	3.004	50	40	FGGB	
O=C(C/C(=N/NC(=O)c1ccccc1O)C(F)(F)F)c1cccs1	5583584	YHMXEIQNORBQGJ-UYRXBGFRSA-N	356.325	3.375	50	40	FGGB	
N#CC(=C1Nc2ccccc2N1)C1=C(Cl)C(=O)N(c2ccccc2)C1=O	944002	AJMJYYRCOFQNOX-UHFFFAOYSA-N	362.776	3.325	50	40	FGGB	
CC1(C)[C@]2(C(=O)NNc3ccccc3)CC[C@@]1(C)C(=O)[C@H]2Br	2703443	PWPFFIVPKSAXRG-OAUYIBNBSA-N	365.271	3.289	50	40	FGGB	
O=C(CNc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc([N+](=O)[O-])cc1	2750819	GRASLRMPMTXRCU-UFWORHAWSA-N	367.192	3.464	50	40	FGGB	
CCOc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)ccc1OC(C)=O	3893067	YGYXTECQFBXWMS-WJDWOHSUSA-N	366.421	3.393	50	40	FGGB	
CC(C)CC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2345277	MNQBCAUWPBJBOY-CHWSQXEVSA-N	368.861	3.264	50	40	FGGB	
Cc1cccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)c1	4868578	NQYVAQFIQZYIMO-XDJHFCHBSA-N	371.444	3.477	50	40	FGGB	
Cc1cc(SCC(=O)NNc2ncccn2)c(C)cc1Br	65542995	FDOBXPZVQGMYMP-UHFFFAOYSA-N	367.272	3.091	50	40	FGGB	
COc1cc(C)ccc1CCCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	3081620	UYAXPLADBBOANO-DEDYPNTBSA-N	355.394	3.385	50	40	FGGB	
CCCCOc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1	3167379	XNUXOAFPNBIKBN-KGENOOAVSA-N	356.422	3.403	50	40	FGGB	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C/C(=N/NC(N)=O)c1ccccc1	4267084	SQVJKDBXGKCJLD-RBIBAUMNSA-N	359.470	3.453	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1O	12472299	FVZRQWRPNIERAE-WPBJZHHJSA-N	352.390	3.194	50	40	FGGB	
NNC(=O)c1ccc(OCc2ccc(Br)cc2)c(Cl)c1	226328811	LGKRHDDHDOTJKB-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1OC	873344	YMSVDEVETXMGSR-SFHVURJKSA-N	359.385	3.470	50	40	FGGB	
CC#C[P@](=O)(OC)[C@@](O)(CBr)c1ccc([N+](=O)[O-])cc1	1297612	PZCBTWKZGNGUHH-YUNKPMOVSA-N	362.116	3.040	50	40	FGGB	
CN1CCC(=NNC(=O)c2cc(-c3cccnc3)nc3ccccc23)CC1	57341790	ZGKWWYLXBOSSOW-UHFFFAOYSA-N	359.433	3.108	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	903651	VJLQHYLLIOFCTP-VXLYETTFSA-N	362.838	3.369	50	40	FGGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)Nc1ccco1	6222011	RLLQYHGNRCOFKC-ONNFQVAWSA-N	361.151	3.316	50	40	FGGB	
N#C/C(C(N)=O)=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21	3671127	LSFPFBCZSOALGS-LFIBNONCSA-N	372.211	3.303	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	40006523	LWKDUIVGRNEGIR-QGOAFFKASA-N	368.408	3.464	50	40	FGGB	
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1cccc2ccccc12	4832393	DYWAHUQQRBTSTK-YDZHTSKRSA-N	365.820	3.260	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1cccc(F)c1	59333739	JVUVKVMEKWPVGR-SXGWCWSVSA-N	354.381	3.408	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	59922522	RHTAVOZKDVBZHV-UFFVCSGVSA-N	352.312	3.487	50	40	FGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1	716930	YFUHUWUAMNGFQO-LJQANCHMSA-N	358.401	3.408	50	40	FGGB	
Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F	104636947	FNIPYJQQFWUWJA-QWRGUYRKSA-N	369.368	3.035	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)O)c2)c1C	409068372	GAVPFOISFVZFQY-SXGWCWSVSA-N	350.374	3.313	50	40	FGGB	
Cc1cc2occ(CC(=O)NNC(=O)c3cccnc3)c2cc1C(C)C	3413348	WJYRWBPRCYUCNH-UHFFFAOYSA-N	351.406	3.263	50	40	FGGB	
Cc1ccc(OCC(=O)NNC(=O)COc2cc(C)ccc2C(C)C)cc1	4036613	PNWVLRPJWUJHSZ-UHFFFAOYSA-N	370.449	3.032	50	40	FGGB	
C/C(CC(=O)Nc1ccc(C)cc1C)=N\NC(=O)c1ccccc1[N+](=O)[O-]	4691024	BIBKXYHZNTXHCY-KGENOOAVSA-N	368.393	3.346	50	40	FGGB	
CCCn1nc(C(=O)N/N=C(\CC)c2ccccc2)c2ccccc2c1=O	6686230	ACFGZZGRWDRNBP-RELWKKBWSA-N	362.433	3.351	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@H]2c2ccc(C)cc2)cc1	8685023	UTBAJMATHYZKEM-DLBZAZTESA-N	355.463	3.125	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccncc2)o1	19877109	UISOKILKVJNVIF-JAIQZWGSSA-N	350.334	3.322	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OC(C)=O	408745259	QQEYLNOHZVUJST-YBEGLDIGSA-N	350.374	3.475	50	40	FGGB	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)c1ccccc1F	40140315	FORCPEOYCCDPBY-ZDUSSCGKSA-N	358.413	3.352	50	40	FGGB	
CCc1ccc(N2C[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)cc1	7929112	ZEZWUCUYCVVQIW-AWEZNQCLSA-N	354.362	3.116	50	40	FGGB	
COc1cc2c(cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)OCO2	12363446	JICZJTWRVQAABL-ODCIPOBUSA-N	366.295	3.207	50	40	FGGB	
CCn1c(SCC(=O)N/N=C/c2cccc(OC)c2)nc2ccccc21	1477329	HXGJWTRNTRIPAM-UDWIEESQSA-N	368.462	3.307	50	40	FGGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	26688119	JWPYGGWSKJFOKV-XNTDXEJSSA-N	373.372	3.100	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(Br)o2)c1	3141527	JQKBBQARVNNMRG-CAOOACKPSA-N	351.200	3.188	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(N(CC)CC)cc2)c1O	3226788	FWIGFAJSCYCWBO-KGENOOAVSA-N	355.438	3.401	50	40	FGGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@@H](Br)[C@@H](Br)C2)O1	221858421	XVHYWNFCTTTZAH-VFCFLDTKSA-N	362.489	3.294	50	40	FGGB	
NNC(=O)c1ccc2[nH]c(-c3cc(Br)ccc3Cl)nc2c1	226236327	IDKDFPZUVRMQQG-UHFFFAOYSA-N	365.618	3.249	50	40	FGGB	
CCOC(=O)[C@@H](Br)[C@H](C(=O)OCC)c1ccc(Cl)cc1	8228333	VMPYETDOBTXFSF-NEPJUHHUSA-N	363.635	3.313	50	40	FGGB	
CCn1c(=O)n(CC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)c2ccccc21	102417112	GGGUJTIRZAOZSQ-BNZKECTASA-N	368.481	3.141	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2cccnc2)c(C)n1[C@@H](C)c1ccccc1	24538141	WXOZVBPEFFPDKD-HNNXBMFYSA-N	362.433	3.184	50	40	FGGB	
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)CCc1c[nH]c2ccccc12	3440979	JBDRNBLPJDOKHW-XJKSGUPXSA-N	358.511	3.175	50	40	FGGB	
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1cccc(Cl)c1	8239579	FAPYLPLRHRCXNO-SBKJXLNCSA-N	362.788	3.107	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(F)cc2)ccc1Br	4551383	NQZOEDPXRLGKEM-DJKKODMXSA-N	365.202	3.426	50	40	FGGB	
O=C(N/N=C/c1ccc(O)c(Cl)c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963180	AOJZYKNUNZUART-QGMBQPNBSA-N	359.725	3.464	50	40	FGGB	
C/C(=N\NC(=O)CSCc1ccccc1)c1ccc2c(c1)OCCO2	408720294	XSOHMSABJKFZSU-XSFVSMFZSA-N	356.447	3.231	50	40	FGGB	
CN(C[C@H]1COc2ccccc2O1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	78288134	CFKLRTUBCMVISG-UWNXQOIWSA-N	351.362	3.231	50	40	FGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Cl	408858553	TWGPTBZKNIWSPG-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1O[C@@H](C)C(=O)O	409239199	OUKZOWVOBYVLFQ-WZMONFQBSA-N	366.373	3.093	50	40	FGGB	
N#C/C(C(=O)NC1CCCCC1)=C1/C(=O)Nc2ccc(Br)cc21	39556018	FPOCPCBLLKRIGK-SQFISAMPSA-N	374.238	3.127	50	40	FGGB	
CCCCC(=O)N/N=C/c1ccccc1OS(=O)(=O)c1ccc(C)cc1	59159018	IYXMGDDABSAKSA-XSFVSMFZSA-N	374.462	3.403	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2cccnc2)c(C)n1[C@H](C)c1ccccc1	24538145	WXOZVBPEFFPDKD-OAHLLOKOSA-N	362.433	3.184	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)Cc2cccc(F)c2)c1	12809223	CAXVJXBGSHMYEB-UHFFFAOYSA-N	358.413	3.026	50	40	FGGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1O	13119074	XWFUCAUOEPOLSJ-LDADJPATSA-N	359.407	3.074	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cc(C)n[nH]2)ccc1OCc1ccccc1	4663980	JTNYUWWATATDNZ-CIAFOILYSA-N	364.405	3.070	50	40	FGGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CC(=O)NCc2ccccc2)cc1	83262273	ZHFAXERMMSLEHL-HAHDFKILSA-N	351.450	3.141	50	40	FGGB	
Cc1cc(Cl)nc(N/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)n1	71789932	KXEWKDUPJLFPBD-XYOKQWHBSA-N	369.233	3.343	50	40	FGGB	
C=CCOc1cc(Br)c(/C=C(/C#N)C(=O)N(C)C)cc1OC	15231261	ZVKNTYLMBWVZHM-GHXNOFRVSA-N	365.227	3.018	50	40	FGGB	
COc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)c1	5383836	BASNZGYYNQFAKY-FYJGNVAPSA-N	353.422	3.082	50	40	FGGB	
Cn1cccc1C(=O)NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	32814715	UNIJSYADYOTPEP-HXUWFJFHSA-N	372.428	3.365	50	40	FGGB	
O=C(c1ccccc1)N1C[C@@H]2C[C@@H](Br)[C@@H]1[C@@H]2Br	100018202	DKFDXPLRTDNFPL-IRCOFANPSA-N	359.061	3.058	50	40	FGGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(C)s2)cc1OC	3261419	ZNLHXRVKGZYVBF-RVDMUPIBSA-N	356.447	3.340	50	40	FGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCCc2ccccc2)cc1	408728157	WJQJWBHSBNEQTB-PXLXIMEGSA-N	369.490	3.461	50	40	FGGB	
CCCCc1[nH]nc2c1[C@@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2	4631608	OLGJYJLPMBMFGV-HNNXBMFYSA-N	372.812	3.353	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccc(C(F)(F)F)c1	6788841	NHWCQEAQPPIUBY-UHFFFAOYSA-N	372.730	3.442	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1ccc(Cl)cc1	7393198	NMQXKPFTTQPTJU-UHFFFAOYSA-N	364.796	3.226	50	40	FGGB	
C/C(=C/C(=O)c1ccc(Cl)cc1)NNC(=O)c1ccc(N(C)C)cc1	408958419	YSMOOICQALJJED-SEYXRHQNSA-N	357.841	3.427	50	40	FGGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CC(C)C)cc2)cc1	1424920	YYELONBMOMFBLE-FYJGNVAPSA-N	354.406	3.411	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)cc1C	13343013	YDASRGYFGWTSTJ-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(SC)NC3=C2C(=O)CCC3)cc1OC	19690955	VUUZOMLEUHVQCO-KRWDZBQOSA-N	356.447	3.496	50	40	FGGB	
O=C(CBr)Nc1cccc(NC(=O)COc2ccccc2)c1	35605344	PPMAMDSSAOTEBO-UHFFFAOYSA-N	363.211	3.038	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Br)c1OC	96444184	RLVCYXQZPOVXAZ-SDQBBNPISA-N	367.243	3.288	50	40	FGGB	
O=C(N/N=C/c1ccccc1I)c1ccc(F)cc1	3572319	SZODTAUZQIOZGA-RQZCQDPDSA-N	368.149	3.194	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC#N	5130824	MBHNYORCLPHVES-DYNVFCCOSA-N	353.422	3.199	50	40	FGGB	
[N-]=[N+]=Nc1ccc(SSCCC(=O)ON2C(=O)CCC2=O)cc1	100256770	JESLOAWTXRTXRN-UHFFFAOYSA-N	352.397	3.366	50	40	FGGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59334473	KOILXPMBTWMZRX-MFOYZWKCSA-N	351.406	3.096	50	40	FGGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cccc(OC)c1O	109663814	SFHMRJCPJNAJDB-MTJSOVHGSA-N	350.374	3.327	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)N3C(=C2C#N)Nc2ccccc23)cc1OC	2294752	RXIIYXNXCJIUIY-LJQANCHMSA-N	371.400	3.162	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1O	5907841	VYTFTUVYTILKKC-CIAFOILYSA-N	357.454	3.393	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2c(c1)OCO2	8103311	LPOZZLLZTBOBCZ-YDZHTSKRSA-N	372.380	3.344	50	40	FGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	6327980	JKPSGEOBWLHBPP-SRZZPIQSSA-N	374.824	3.434	50	40	FGGB	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(F)ccc2F)cc1	40139776	BCWWNPGZTNCAPU-NTEUORMPSA-N	355.344	3.212	50	40	FGGB	
CC1(C)[C@]2(C(=O)Nc3nccs3)CC[C@@]1(C)C(=O)[C@H]2Br	2172572	XQINMRULNBSVAS-NFMODRRSSA-N	357.273	3.241	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1	1857384	ZIRCGIZZWYNZBD-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)C[C@H](C)c3ccccc3)ccc21	2628342	IYDBCOWVOVHATJ-AWEZNQCLSA-N	364.449	3.319	50	40	FGGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1O	1967109	IVTSGZOLLFAGTR-OVCLIPMQSA-N	359.403	3.056	50	40	FGGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)/C=C/c2ccc(F)cc2)c1C	14822413	PLYFGFPEDDDHGE-SAAWKEMMSA-N	356.397	3.071	50	40	FGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)c1C	409001093	GROMEAJOAHLNJE-LSHDLFTRSA-N	363.339	3.411	50	40	FGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	28215334	HNDIZYHKAQNUTB-SRZZPIQSSA-N	373.840	3.007	50	40	FGGB	
CCOC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1cccc(C)c1	24977421	DAUQYJRPJPQXNB-UHFFFAOYSA-N	364.405	3.239	50	40	FGGB	
Cc1cccc(C(=O)N/N=C\c2cccc(I)c2)c1	408969246	KAQCFANLYXBSSB-YVLHZVERSA-N	364.186	3.364	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1Br	409197690	MEKIVUCSWWROET-HXJASHHUSA-N	372.222	3.215	50	40	FGGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O[C@H](C)C(=O)O	23382908	MTKWGDDERGJTLU-ZMTLZGASSA-N	363.373	3.488	50	40	FGGB	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@@H]1CCCc2ccccc21	3313290	NBSZFRCAGPEMML-MTGKDYNDSA-N	360.413	3.331	50	40	FGGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	12742232	ZTBHNIZPBOQRIZ-OAHLLOKOSA-N	372.428	3.414	50	40	FGGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)cc1C(=O)O	408855998	HRQFXCOTFDHDOQ-NHDPSOOVSA-N	364.357	3.423	50	40	FGGB	
O=C(c1ccccc1)[C@H](Br)CCN1C(=O)c2ccccc2C1=O	94992615	ZGEFBYDGZCDSTA-OAHLLOKOSA-N	372.218	3.319	50	40	FGGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1	3184320	RMZWMICGVYDOHB-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
C[C@]1(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1(Cl)Cl	15902336	GKQALMHFLYHXGR-ABQMOFGXSA-N	359.297	3.324	50	40	FGGB	
O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1ccc(CBr)cc1	17430164	XALWWIIKVOSJSW-HNNXBMFYSA-N	362.223	3.007	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)o2)cc1	100634276	MBNOGTTVVVKNRF-OQLLNIDSSA-N	358.357	3.290	50	40	FGGB	
COc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(Cl)nc2c1	9704021	MMUGJPKUOAOEJA-OAHLLOKOSA-N	367.796	3.147	50	40	FGGB	
CCc1ccc(OCCCOc2c(/C=N/NC(N)=O)cccc2OC)cc1	4673478	BJHJCKMNZYDKDN-HYARGMPZSA-N	371.437	3.108	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	409229893	VVWFMVYQLGMCIK-ATTDUZETSA-N	351.362	3.388	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1cccs1	17150077	YWNPZFIGBYXHCB-UHFFFAOYSA-N	370.825	3.287	50	40	FGGB	
C/C(=N\NC(=O)Cc1cccn1C)c1ccc(N2CCCCCC2)cc1	13056119	SMJKOIBFJJAJGX-OQKWZONESA-N	352.482	3.488	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1O	5466751	GGAHXOXANBYKIH-KEBDBYFISA-N	362.813	3.282	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1[N+](=O)[O-]	33619310	MKFQJSUFNWBAAZ-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C\c2ccc(OC)c([N+](=O)[O-])c2)cc1	33343699	STMPGMRYRCYIFF-MOSHPQCFSA-N	371.393	3.085	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	2336400	BFFAWVVBGIEVIN-UDWIEESQSA-N	363.377	3.161	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc(OC)c1O	695451	IPSRBFWBZYRUNL-SRZZPIQSSA-N	366.373	3.032	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cccc(O)c1	1061388	ZAZWKCVUYALOAB-YBFXNURJSA-N	351.318	3.324	50	40	FGGB	
COc1cc(CCC(=O)Oc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC	6640223	FWIRKNGYJNQMHS-UHFFFAOYSA-N	361.350	3.159	50	40	FGGB	
COc1ccc(-c2ccc(/C=N\NC(=O)c3cnccn3)o2)cc1Cl	67194084	FOSCGPMSKVZETQ-NKVSQWTQSA-N	356.769	3.163	50	40	FGGB	
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1	17074085	GUJQQQDPTVHBFY-QGZVFWFLSA-N	359.385	3.145	50	40	FGGB	
O=C(N/N=C/c1coc2ccccc2c1=O)c1cc(Cl)nc(Cl)c1	2581863	XJSXDVXCEMAWDE-FBCYGCLPSA-N	362.172	3.259	50	40	FGGB	
N#C/C(C(=O)c1cccc(Br)c1)=C1/NC(=O)c2ccccc2N1	5448800	WXLNRAANYWAIKU-SSZFMOIBSA-N	368.190	3.222	50	40	FGGB	
CC(C)NC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	408798076	UEYYWXOSRIVQJY-SFQUDFHCSA-N	363.417	3.136	50	40	FGGB	
CCc1nc2cc(NC(=O)/C(C#N)=C\c3cc(C#N)n(C)c3C)ccc2o1	98055155	OUZWHILEFIARJD-AUWJEWJLSA-N	359.389	3.454	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3cccc(Cl)c3)CC2=O)cc1C	409256111	JXLKEEHJBCKQPI-RSFOSLOZSA-N	369.852	3.460	50	40	FGGB	
CCS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(Cl)cc1Cl	96519124	XWJQLVNJQUWGOE-ZJUUUORDSA-N	362.072	3.183	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1)[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1	95532843	QJWJOGIDEDKLIN-UHFVFUGDSA-N	374.396	3.424	50	40	FGGB	
O=C(CI)Nc1ccc(C(=O)c2ccccc2)cc1	6095872	ODTZGFFHYPHJNS-UHFFFAOYSA-N	365.170	3.291	50	40	FGGB	in-vitro
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1cccnc1	1581243	COVXLRKMGDYPCL-CIAFOILYSA-N	365.264	3.130	50	40	FGGB	
N#CC(C#N)=C(O)/C(=C\c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1	1588780	OJEZJSAIMXQMIY-MHWRWJLKSA-N	360.329	3.225	50	40	FGGB	
CCOC(=O)c1cc(C)nc(OP(=S)(OCC)OCC)c1C#N	2581881	QREQPDSQERABEV-UHFFFAOYSA-N	358.356	3.115	50	40	FGGB	
CC1=NN(C(=O)Nc2ccccc2)[C@](C)(NNC(=O)Nc2ccccc2)C1	5416568	LIFYLZNTNZXGMZ-IBGZPJMESA-N	366.425	3.343	50	40	FGGB	
COc1ccc(C(=O)N/N=C2/CCSc3ccc(F)cc32)cc1OC	34106656	LFNIZDZLHSPMNX-ZHZULCJRSA-N	360.410	3.473	50	40	FGGB	
O=C(NNc1nc2c(F)cc(F)cc2s1)c1cc2ccccc2oc1=O	4121493	INTZUUMREJLRMZ-UHFFFAOYSA-N	373.340	3.438	50	40	FGGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1cccc(Br)c1	6890248	YWMZOUJARXSDPV-QUYZQLMHSA-N	361.239	3.413	50	40	FGGB	
COc1cc(Br)c(/C=N/NC(=O)c2ccccc2)cc1OC	657690	BFQFVRHCEASNBV-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
CCOC(=O)c1cc(-c2ccccc2)sc1N/C(C)=C(/C#N)C(N)=O	105145679	ALRQIPGIBZBIHN-KAMYIIQDSA-N	355.419	3.287	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)cc1	1428102	UCJMATVRFJQAIZ-OAHLLOKOSA-N	370.430	3.460	50	40	FGGB	
COC(=O)c1ccc(Cl)cc1N/C=C(\C#N)C(=O)NCc1ccccc1	6760553	SZAKCDYUFREHCW-WYMLVPIESA-N	369.808	3.262	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc2c(Cl)cccc12	8707256	KRQRETTVWAVUMS-UHFFFAOYSA-N	372.764	3.198	50	40	FGGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)O)c(OC)c2)cc1OC	408580992	FSMFRVASXUDFKO-OVCLIPMQSA-N	369.373	3.240	50	40	FGGB	
CCCOc1cccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	40140426	XQUFCWQQIFUNSE-UHFFFAOYSA-N	356.466	3.453	50	40	FGGB	
COc1ccc(CC(=O)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	5047220	QGPGEVIAMDVHKR-UHFFFAOYSA-N	374.440	3.217	50	40	FGGB	
CO[C@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(F)cc1)c1ccccc1	5288812	GJALIWPDRIFEIB-ZFJBLLOBSA-N	357.385	3.034	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1	20086652	GDSSKHJISSWKTN-QGZVFWFLSA-N	372.380	3.226	50	40	FGGB	
O=C(NNC(=O)[C@H]1CCCc2ccccc21)c1ccccc1Br	12920916	BFKILQFJFRLYLN-AWEZNQCLSA-N	373.250	3.330	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3n2C)cc1	13617495	ZUNNJMKENTYEGZ-FYJGNVAPSA-N	368.462	3.214	50	40	FGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1OC	408881388	JCATWYVGIAGYSB-VXLYETTFSA-N	362.769	3.258	50	40	FGGB	
CCOC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1ccccc1F	4837339	XDZLBOCRMVPHSH-VXLYETTFSA-N	361.329	3.393	50	40	FGGB	
COC(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	60057401	SAQXVXPBIXFPHH-UHFFFAOYSA-O	350.378	3.294	50	40	FGGB	
CC(/C=N\NC(=O)COc1ccc(C)cc1[N+](=O)[O-])=C\c1ccccc1	30817613	ZEHDWOJZGPOWTL-KOMUNRIWSA-N	353.378	3.488	50	40	FGGB	
Cc1cccc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c1[N+](=O)[O-]	28337682	PGKSNHFANBTQSC-UHFFFAOYSA-N	361.226	3.356	50	40	FGGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1	20132496	SVOCIXQBKUHILG-SECBINFHSA-N	356.245	3.367	50	40	FGGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)o1	2371909	BUXJHPJBWOYDGT-CQSZACIVSA-N	367.430	3.299	50	40	FGGB	
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	4521242	RFSVHANJROIWPM-BXUZGUMPSA-N	352.387	3.440	50	40	FGGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@H]2CCCN(C(=O)C(F)(F)F)C2)C1	12346473	MACFFDSUHXLTPQ-UBSZMKTASA-N	371.403	3.192	50	40	FGGB	
O=C(CCCC[C@@H]1CCSS1)NCCc1nnc2ccccn12	22694871	QDEYXNLGBNVUQL-CYBMUJFWSA-N	350.513	3.102	50	40	FGGB	biogenic
COc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccco2)cc1	4480191	HXDIASJMRAGFBC-FYJGNVAPSA-N	364.357	3.271	50	40	FGGB	
C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1cccs1	409363207	UIAHWZRZQVPBTJ-LICLKQGHSA-N	352.257	3.463	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc(-n2ccnc2)cc1	5516983	JCADHXPMIBHEII-YBFXNURJSA-N	373.210	3.382	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408819224	YQJXVOWWCUUPCW-SDNWHVSQSA-N	369.377	3.223	50	40	FGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	408907355	MJIRLRKQEDSVBE-VYVDHXHBSA-N	373.840	3.148	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(OC)cc2)cc1[N+](=O)[O-]	409141923	CGRDMIVKCVTHQU-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
O=C(NNc1nc2c(Cl)cccc2s1)[C@H]1COc2ccccc2O1	4121373	VTHTWNYNKKJQAD-GFCCVEGCSA-N	361.810	3.233	50	40	FGGB	
O=C(N/N=C\c1ccc(Br)c([N+](=O)[O-])c1)c1ccc(F)cc1	30822076	IJHCTMWFTIJGEO-IUXPMGMMSA-N	366.146	3.260	50	40	FGGB	
COc1ccc(C(=O)NN=C2CCN(c3ccc(F)cc3)CC2)cc1OC	60418393	QOZWPJHIRILVAD-UHFFFAOYSA-N	371.412	3.229	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)ccc2O)c(OC)c1	408865810	CBVQZHWYGYOTQF-VGOFMYFVSA-N	372.808	3.286	50	40	FGGB	
C[C@@H]1CCCC[C@H]1NC(=S)NNC(=O)CCc1c[nH]c2ccccc12	3440982	JBDRNBLPJDOKHW-CZUORRHYSA-N	358.511	3.175	50	40	FGGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	409366599	WWLXYCZVJJKCTI-UFWORHAWSA-N	367.192	3.464	50	40	FGGB	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNC(=O)c1ccco1	13004832	SDSBJXINVSFJHW-UHFFFAOYSA-N	361.810	3.060	50	40	FGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(Cl)cc1	4502845	NQQPHRCLGJCPQJ-CQSZACIVSA-N	374.853	3.288	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@@H]2[C@H]1c1ccccc1Cl	4631693	JORXQYWYJCBJJH-BBRMVZONSA-N	352.850	3.497	50	40	FGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	4679252	JIVOXXUHLWTCCW-XMHGGMMESA-N	369.424	3.446	50	40	FGGB	
COc1cc(/C=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1O	5783636	CYMGEVCSVBGNOU-WSDLNYQXSA-N	372.465	3.466	50	40	FGGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)[C@H]12	5416555	LFEYLUPXCSUZMC-QKNQBKEWSA-N	374.400	3.061	50	40	FGGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccccc1[N+](=O)[O-]	3226488	UCADYBPEDPHFFT-ZVBGSRNCSA-N	366.299	3.176	50	40	FGGB	
O=C(N/N=C/c1sc(=O)n(-c2ccccc2)c1Cl)c1ccccc1	2360404	YXBDDLODXDRUNS-YBFXNURJSA-N	357.822	3.316	50	40	FGGB	
O=C(CCSc1ccc(F)cc1)NNC(=O)Cc1ccc(Cl)cc1	7652733	CBIXYKMCEBICNL-UHFFFAOYSA-N	366.845	3.351	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccccn2)c(C)n1-c1ccc(N(C)C)cc1	408743321	ZXORZYLRIAXKCI-OEAKJJBVSA-N	361.449	3.319	50	40	FGGB	
N#C/C(=C\c1ccc(Sc2ccccn2)o1)C(=O)NC[C@H]1CCCO1	408993271	VJQCNYBOTRODBL-NRMKIYEFSA-N	355.419	3.028	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c(OCC)c1	408598934	LMSHIZQZMMWTMV-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)c1	408874552	BPOSUSPKWIZNNH-XKZIYDEJSA-N	363.373	3.282	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408939042	MSHBIFFDPBIEGT-KIHMUJGBSA-N	374.872	3.112	50	40	FGGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c1	408987041	VBBPTKFYXRFLJA-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccc([N+](=O)[O-])cc1	36144776	OERGPTSQNINXND-YVLHZVERSA-N	362.183	3.050	50	40	FGGB	
O=C(N/N=C/c1ccc(F)s1)[C@H]1CCCN(Cc2ccc(F)cc2)C1	252511329	ZYWWHRWPOUMGOR-MNUWJXFPSA-N	363.433	3.389	50	40	FGGB	
COc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	1083297	YAVYGWNKWGKCLV-XQNSMLJCSA-N	360.413	3.081	50	40	FGGB	
O=C1CCN=C(N(C(=O)CCl)c2ccccc2C(F)(F)F)S1	2565028	SXZLIILJKFRAOM-UHFFFAOYSA-N	350.749	3.297	50	40	FGGB	
COc1ccccc1/C=C(/C(=O)NNC(=O)c1ccco1)c1ccccc1	32907883	AUTNLCXEOTYQSN-SAPNQHFASA-N	362.385	3.290	50	40	FGGB	
COc1ccccc1C(=O)NNC1=C(C(=O)C(F)(F)F)CCCCC1	59488994	FHMZTNZUTYCZBV-UHFFFAOYSA-N	356.344	3.279	50	40	FGGB	
CC1(C)Cc2c(ccc3ccccc23)C(NNC(=O)c2cccc(N)c2)=N1	729256	CGSZXTYPMCVCID-UHFFFAOYSA-N	358.445	3.438	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Cl)OCO2	3085453	RIXTYYCSPJDWCB-FBCYGCLPSA-N	367.188	3.251	50	40	FGGB	
N#C/C(=C\c1ccc(F)cc1)c1nnc2n1-c1cc([N+](=O)[O-])ccc1OC2	5174299	AJSBHVWVQNSUQZ-KPKJPENVSA-N	363.308	3.271	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@H](c2cccs2)N2C(=N1)SC(C#N)=C2N	408605646	MPPWHFDTGPSSEL-ZDUSSCGKSA-N	360.464	3.085	50	40	FGGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2nc3ccccc3n2C(N)=C1C#N	20086193	IPRJRBKTYBATJO-HXPMCKFVSA-N	373.416	3.089	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2cc(Cl)c3c(c2)OCO3)oc2ccccc12	7898458	QSMKFYDGMKFKKO-UHFFFAOYSA-N	372.764	3.198	50	40	FGGB	
CCN(CC)c1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@H](N)[C@@H]2C#N)o1	408820803	YVOOGEFDJLCJLO-IVFJLDLVSA-N	374.448	3.334	50	40	FGGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)cc1	408814859	SLVUNRMWWHKLFI-LFIBNONCSA-N	350.374	3.336	50	40	FGGB	
CCc1sc(C(=O)NNC(=O)c2cnc(-c3ccccc3)nc2)cc1C	65552140	WWYYBGZGGWTRNK-UHFFFAOYSA-N	366.446	3.151	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccccc1C(=O)O	4171175	MBCDSNRTILSULC-ZDUSSCGKSA-N	364.386	3.055	50	40	FGGB	
O=C(OC[C@H]1C[C@@H](OC(=O)c2ccccc2)[C@H](Cl)O1)c1ccccc1	4983237	MJTRUHKBJQWTOJ-BRWVUGGUSA-N	360.793	3.423	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O	6958819	LKEXQXSGRADPII-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
N#C/C(=C\c1cccs1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	2352629	HDSPISUGFAIXPV-CSKARUKUSA-N	357.460	3.333	50	40	FGGB	
CCOc1ccccc1C(=O)NNC(=O)CSc1ccc(Cl)cc1	12801525	FPBYGDVMAPLBRB-UHFFFAOYSA-N	364.854	3.292	50	40	FGGB	
Cc1cccc(C)c1NCC(=O)N/N=C\C=C\c1ccccc1[N+](=O)[O-]	13285927	PSSOPPNCKKODLI-IEPMXLQJSA-N	352.394	3.439	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(F)cc2F)cc1	18128715	KKYOYNVZDOUVTH-SSDVNMTOSA-N	361.348	3.108	50	40	FGGB	
O=C(N/N=C\c1c(Cl)[nH]c2ccccc12)c1ccc2c(c1)OCCO2	37501445	FQFYKTAOLDDPJP-JMIUGGIZSA-N	355.781	3.356	50	40	FGGB	
COc1ccc([C@@H](C)NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	5413421	DAUJZNXEPMBLBY-IKMPRTQCSA-N	367.449	3.146	50	40	FGGB	
O=C(CCCNC(=O)OCc1ccccc1)Oc1ccc([N+](=O)[O-])cc1	1709614	KRQFWXDSIWPJRF-UHFFFAOYSA-N	358.350	3.207	50	40	FGGB	
COc1ccc(OCC(=O)NNC(=O)Nc2cccc3ccccc23)cc1	11007035	ISLPGRJJLAZNDI-UHFFFAOYSA-N	365.389	3.080	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4cccs4)ncnc32)c(C)c1	7443126	HWOPIMKKFYYZQB-UHFFFAOYSA-N	364.434	3.251	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1	59515512	JGRJUCOJMRNHOX-FYJGNVAPSA-N	353.422	3.298	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1C	637275	JWLSYXFFOIKBHX-HYARGMPZSA-N	368.433	3.402	50	40	FGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	408913325	SUQYYIXZHLUASG-VSSNOKMASA-N	365.433	3.159	50	40	FGGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	13546466	SXNPELFKVBPULP-QGOAFFKASA-N	358.445	3.500	50	40	FGGB	
COc1cc(/C=N/NC(N)=O)ccc1OCCCOc1cccc(C)c1C	13896583	GPZHFRWQYHRTQQ-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(O)cc2)cc1Br	4525795	PCMHVRCSPMSWHS-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C2\C(=O)Nc3ccccc32)cc1	5676517	CVAWRCVYAOHZHS-ZDUSSCGKSA-N	351.406	3.052	50	40	FGGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1	9089077	FMHIKYPULZWWLY-ZDUSSCGKSA-N	367.430	3.299	50	40	FGGB	
O=C(CBr)Nc1ccc(OCCOc2ccccc2)cc1	35605038	OVDQXPHQFSFOMO-UHFFFAOYSA-N	350.212	3.478	50	40	FGGB	
Cc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1Br	9201552	BYBFRODUQXURLR-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
C[C@H]1CCc2sc(C(=O)NNC(=S)N[C@H]3C[C@@H]4CC[C@@H]3C4)cc2C1	102971510	OGPMJXQUTHSNCF-SFTQSGBHSA-N	363.552	3.170	50	40	FGGB	
O=C(NNC(=O)c1ccccc1NC(=O)c1ccccc1)c1ccccc1	24429233	JQDWZYPDZVRQCS-UHFFFAOYSA-N	359.385	3.014	50	40	FGGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)NNC(=S)Nc1ccccc1	27525808	YWIOQYWYDDQORF-JLHYYAGUSA-N	356.838	3.265	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccnc2)cc1Br	408744231	ZDHBVNSFZCUBPT-VXLYETTFSA-N	360.211	3.173	50	40	FGGB	
Cc1ccccc1OCC(=O)N/N=C/c1cccc(OC2CSC2)c1	408881802	MGJDQIJUDYJZPX-KEBDBYFISA-N	356.447	3.018	50	40	FGGB	
O=C(N/N=C/CCC/C=N/NC(=O)c1ccc(F)cc1)c1ccc(F)cc1	4416883	CIEBZYOJOHMOAQ-FWSOMWAYSA-N	372.375	3.267	50	40	FGGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1ccc(Br)cc1	5171354	XYSBXTLSLIMIKR-DJKKODMXSA-N	350.191	3.150	50	40	FGGB	
C[C@H]1CN(Cc2ccc(C(=O)NNc3ccc(F)cc3)cc2)C[C@H](C)O1	46456362	WRTRRSDSAATXTO-GJZGRUSLSA-N	357.429	3.192	50	40	FGGB	
CCn1c(C)cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1C	409096846	LEFABOPHJHMVCV-VCHYOVAHSA-N	360.439	3.275	50	40	FGGB	
C[C@@H](C(=O)NN=C1CCCCCCC1)N(c1ccccc1)S(C)(=O)=O	408907524	QCYSYAWMDGZDNW-HNNXBMFYSA-N	365.499	3.058	50	40	FGGB	
C=CCn1c(C)c(/C=N/NC(=O)CNC(=O)c2ccccc2)c2ccccc21	408820006	UQEJRTNSJDFPBK-ZVHZXABRSA-N	374.444	3.016	50	40	FGGB	
CCc1sc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1[N+](=O)[O-]	1085512	HWPYSRVSDFOTCV-GIJQJNRQSA-N	361.423	3.365	50	40	FGGB	
CCOc1cc(C(=O)NN)cc(Cl)c1OC(=O)c1cccc(Cl)c1	226307244	FIPAXQBECWIPRO-UHFFFAOYSA-N	369.204	3.215	50	40	FGGB	
COc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)c(OC)c1	11296418	PPJQXLQMTQCNCK-GXDHUFHOSA-N	374.404	3.279	50	40	FGGB	
O=C(NNC(=O)c1cccs1)c1ccc(NC(=O)c2cccs2)cc1	854200	UGUUYAGRVUVRMJ-UHFFFAOYSA-N	371.443	3.137	50	40	FGGB	
COc1ccc2cc(-c3cc(C(=O)NN)nn3-c3ccccc3)ccc2c1	59472508	CYIURUXGHZKPKR-UHFFFAOYSA-N	358.401	3.305	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)cccc2C)ccc1OC	8497326	YTDWTNCELAXFEN-CIAFOILYSA-N	356.422	3.240	50	40	FGGB	
Cc1cccc(-n2ncc3c(NNC(=O)C4CCCCC4)ncnc32)c1	4355141	BKOPJPWDGYWYJH-UHFFFAOYSA-N	350.426	3.147	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1[C@@H](C)c1ccccc1	24480170	WUTDFCRMAUQEFS-HNNXBMFYSA-N	362.433	3.184	50	40	FGGB	
N#CC1=CN2[C@H](C(=O)C3CC3)[C@@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]2C=C1	4772876	LJVDCEOFBFTGQX-QRVBRYPASA-N	374.831	3.466	50	40	FGGB	
COc1cccc(/C=N\NC(=O)COc2ccc3ccccc3c2)c1O	32114505	CWBLDBUQGOLEBC-MTJSOVHGSA-N	350.374	3.083	50	40	FGGB	
CCOC(=O)COc1c(Cl)cc(/C=C(/C#N)C(N)=S)cc1Cl	408541604	CHQWPOBSCHNBJR-OQFOIZHKSA-N	359.234	3.128	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Cl)o1	409001037	ZZXVOFKPVZYCLG-GIJQJNRQSA-N	351.859	3.383	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NC2CCCC2)cc1OC	409194025	MOSKWGCVOHZNSF-ZROIWOOFSA-N	358.825	3.326	50	40	FGGB	
O=C(N/N=C\c1cc2c(cc1Br)OCO2)Nc1ccccc1	136971168	LRKBRXJHNWMARW-IUXPMGMMSA-N	362.183	3.333	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])c1	35361746	JATXUCPVELVADH-KEBDBYFISA-N	371.393	3.261	50	40	FGGB	
CC(C)(C)NC(=S)NNC(=O)COc1ccc(-c2ccccc2)cc1	8301859	GLOHJFJFNHILKA-UHFFFAOYSA-N	357.479	3.026	50	40	FGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1ccc(OC)cc1	5305881	ZFLDZYUZDFPGSS-CQSZACIVSA-N	356.403	3.070	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1[N+](=O)[O-]	408864099	STHKOQWMGFWDGX-CAOOACKPSA-N	362.729	3.229	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccc(O)cc1	867387	VTYDSLKWJYJIOU-YBFXNURJSA-N	351.318	3.324	50	40	FGGB	
Cc1cc(SCC(=O)N/N=C/c2ccccc2O)c2ccccc2n1	871054	ODLVIMIWQBCYSP-RGVLZGJSSA-N	351.431	3.491	50	40	FGGB	
CCCCC(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	14234301	KNIBOMVXTOMBSJ-UHFFFAOYSA-N	372.494	3.337	50	40	FGGB	
N#C/C(=C/c1c[nH]c2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	408788809	HRGQUGUIMRYISI-VKAVYKQESA-N	356.429	3.424	50	40	FGGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1OC	408545368	YHMCKRMUXWBCJE-DHDCSXOGSA-N	366.373	3.338	50	40	FGGB	
COc1ccc(/C=N\NC(=O)[C@H](c2ccccc2)N2CCCCC2)cc1	31938716	SNDKKVBDOICQAZ-RAGBYUADSA-N	351.450	3.373	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)C(=O)Nc1cccc(C(F)(F)F)c1	4867098	DJGQNAAXGPXVFQ-UFWORHAWSA-N	355.341	3.164	50	40	FGGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	59515260	SUFWPUFRYZSPNF-SRZZPIQSSA-N	367.405	3.164	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1C	59332910	CQSNUXMTUAGFPL-CYVLTUHYSA-N	361.445	3.259	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2ccccc2Cl)oc2c1C(=O)CC(C)(C)C2	8991050	XHRDUTYACVROJO-UHFFFAOYSA-N	374.824	3.471	50	40	FGGB	
CCC[C@@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	20000746	GCROYISKKGFJPF-VQTJNVASSA-N	357.461	3.245	50	40	FGGB	
CC(C)(C)c1cc(/C=N/NC(=O)C[n+]2ccccc2)cc(C(C)(C)C)c1O	3202548	IKOPDAFPKSYBEP-UHFFFAOYSA-O	368.501	3.425	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NC[C@@H]1CCCO1	16437530	KOSKBZPQONSQKU-SHRNQRGKSA-N	367.361	3.057	50	40	FGGB	
CC(C)c1ccc2c(c1)/C(=N\NC(=O)COc1ccc(Cl)cc1)C(=O)N2	8227420	ZSDVXOIKFRWPFL-UHFFFAOYSA-N	371.824	3.315	50	40	FGGB	
CCCc1ccc(OCC(=O)NNC(=S)Nc2ccc(OC)cc2)cc1	1438529	RNBPMSXJTZLLIT-UHFFFAOYSA-N	373.478	3.044	50	40	FGGB	
O=C(O)c1cccc2c1-c1ccc(NC(=O)C(Cl)Cl)cc1C2=O	1710737	LDSGLCQPAZUAEP-UHFFFAOYSA-N	350.157	3.338	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(I)o1	408721188	MACPNCVFFIAHMQ-IKKDQCKNSA-N	372.206	3.161	50	40	FGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(OC)c1O	79484898	OCMXSSJXUAJPFV-KRWDZBQOSA-N	363.373	3.109	50	40	FGGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccc(Cl)cc1	409107724	QGAZUNBJRAHGDF-FYJGNVAPSA-N	357.841	3.249	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C	36020618	XTGXIYDKYVVDMI-UDWIEESQSA-N	371.393	3.090	50	40	FGGB	
C[C@H](C(=O)NN=C1CCCCCCC1)N(c1ccccc1)S(C)(=O)=O	408907525	QCYSYAWMDGZDNW-OAHLLOKOSA-N	365.499	3.058	50	40	FGGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	409360789	FVPWHSHNADELAK-UFWORHAWSA-N	367.192	3.464	50	40	FGGB	
O=C(NNC(=O)c1ccc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1	216629066	MOMWEOQNYOQMFB-UHFFFAOYSA-N	367.386	3.398	50	40	FGGB	
O=C(N/N=C\c1cc(Br)ccc1O)c1cccc2cc[nH]c12	13660198	KPKQCKRNYPESMU-OCKHKDLRSA-N	358.195	3.400	50	40	FGGB	
COc1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)c(OC)c1	4121488	DCISDJWNYLLAIT-UHFFFAOYSA-N	365.361	3.349	50	40	FGGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1)C(=O)O	2054095	ZKKCTQUOJVYDDC-ZICWZVMQSA-N	352.346	3.049	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)N/N=C/c1cccc([N+](=O)[O-])c1)c(C)n2C	5024417	AGALBOMOZSQEGC-RGVLZGJSSA-N	366.377	3.167	50	40	FGGB	
CCCn1nc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	253401525	NFEHBTPEVWRWKK-KRWDZBQOSA-N	354.454	3.361	50	40	FGGB	
CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CSCc1ccccc1Cl	5205585	QEFOOWYKYUNHSF-FDXCNZBMSA-N	368.886	3.409	50	40	FGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(O)cc1	16693904	SJQWLDZHVOXXOK-UNOMPAQXSA-N	359.385	3.097	50	40	FGGB	
N#CC(C#N)=C(O)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1	17142238	OJEZJSAIMXQMIY-YBEGLDIGSA-N	360.329	3.225	50	40	FGGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(Br)s1	1445104	QAPPDYXOMMHMPL-LZYBPNLTSA-N	353.241	3.348	50	40	FGGB	
N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cccc(Br)c1)OCO3	2502529	BSBMOMVOGHVHAY-INIZCTEOSA-N	371.190	3.396	50	40	FGGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(Br)o1	6829124	CMAVFJJCXRYPGX-REZTVBANSA-N	356.607	3.258	50	40	FGGB	
O=C(NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1	712353	RWSIADUNNZHCMZ-FQEVSTJZSA-N	356.425	3.454	50	40	FGGB	
N#CC1=C2SC[C@@](O)(c3ccco3)N2C(=O)C[C@@H]1c1ccc(F)cc1	12275305	XREZZXCKUMNOGZ-FZKQIMNGSA-N	356.378	3.062	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCCC3)c(C)c2)c1	107961933	SIDOJFFJDABXSX-HMAPJEAMSA-N	364.449	3.318	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(CC(N)=O)c3ccccc23)c1C	108988791	VFPGQQVZPIHPOP-YBEGLDIGSA-N	372.428	3.289	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2N)cc1OCC	409041812	VSMLHLBIPYVUQX-WSDLNYQXSA-N	371.824	3.097	50	40	FGGB	
C/C(=N/NC(=O)CCc1c(C)n[nH]c1C)c1ccc(Br)cc1	13618641	FNADFBSWWIEAKM-ZDLGFXPLSA-N	363.259	3.262	50	40	FGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408749490	PLNRVOGFKGRIES-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)ccc1OCC#N	33476074	ITZWFFUUWWDQJB-HAHDFKILSA-N	374.400	3.152	50	40	FGGB	
CC(C)(O)C(=O)N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1	32578379	KCSPZHQCRPXTBS-UFFVCSGVSA-N	364.804	3.279	50	40	FGGB	
CCc1cc2ccc(C)c(C)c2nc1SCC(=O)NNC(=O)C(C)C	4849417	XPOZRNWKLPPKCK-UHFFFAOYSA-N	359.495	3.310	50	40	FGGB	
C[C@@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CI	103672721	RRHSBISFIQTULS-BKFJMODKSA-N	357.029	3.190	50	40	FGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CCCCC2)c(OC)c1	1786087	LKUALBFZPQWWBL-SFQUDFHCSA-N	368.433	3.390	50	40	FGGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c2ccccc21	408782547	JZPYXBFBQLFMSM-PTNGSMBKSA-N	365.433	3.170	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCCCC3)cc2)c1	33586482	DLCGMFILYJHNBM-JCMHNJIXSA-N	364.449	3.399	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1	3032036	MJXJGIOPVWCVJF-LPYMAVHISA-N	368.433	3.300	50	40	FGGB	
Cc1cccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1	2135404	RTJXOBRUAGJQPP-UHFFFAOYSA-N	369.490	3.242	50	40	FGGB	
C/C(CC(=O)Nc1cc(C)cc(C)c1)=N\NC(=O)c1cccc(C)c1O	4550534	FZYBSNLVBOGFIX-PXLXIMEGSA-N	353.422	3.452	50	40	FGGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)c1	6645988	URTRZKCUAHXJQS-WSDLNYQXSA-N	361.401	3.251	50	40	FGGB	
CCO/N=C(\C(=O)Cl)c1nsc(NP(=O)(Cl)Cl)n1	136840334	QZZOGRZCLZKNBM-QDEBKDIKSA-N	351.539	3.042	50	40	FGGB	
CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)c1cccc(Br)c1	13601114	ZHWKHAAJKAQVLB-OMJMQIJPSA-N	355.232	3.144	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	6414957	IAPWNNGRNMDINA-LFIBNONCSA-N	357.841	3.417	50	40	FGGB	
COc1cc(SC)ccc1C(=O)NNC(=O)c1ccc(Cl)cc1	2623967	KZCPROXTBAWVHS-UHFFFAOYSA-N	350.827	3.145	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c(OC)c1C	108047484	SAOPEOKUUQUHKV-DHDCSXOGSA-N	366.373	3.256	50	40	FGGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	59515250	QZVKEXDRTXUFCE-UDWIEESQSA-N	368.393	3.343	50	40	FGGB	
CC(C)(C)OC(=O)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	6168036	XCVNNJHKAHXULN-HEHNFIMWSA-N	351.406	3.462	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1O	408960177	DBJODFRVTYDGGD-VXLYETTFSA-N	369.333	3.209	50	40	FGGB	
CCOc1ccccc1/C=N\NC(=O)N/N=C\c1ccccc1OCC	31628812	GZJIVOGLWZKTRC-NMGXZBPKSA-N	354.410	3.151	50	40	FGGB	
NNC(=O)c1cc(-c2ccc(OCc3cccc4ccccc34)cc2)n[nH]1	35576339	CENHDQMYTDCJTB-UHFFFAOYSA-N	358.401	3.412	50	40	FGGB	
C/C(CC(=O)NC(C)C)=N\NC(=O)C(c1ccccc1)c1ccccc1	4904424	YQCRBTRWKOQIBI-XQNSMLJCSA-N	351.450	3.225	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1	32753489	PTODVTHPVUTZNP-UHFFFAOYSA-N	364.380	3.220	50	40	FGGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1	101496680	CBPLYQHOYNDADX-BQYQJAHWSA-N	372.240	3.227	50	40	FGGB	
O=C(N/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1)c1ccco1	409067371	XVCUDJZQNQLHKZ-ZBKNUEDVSA-N	360.732	3.418	50	40	FGGB	
Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2cccs2)CC1	409004838	FFRCJRUCYAHOJE-DEDYPNTBSA-N	355.463	3.059	50	40	FGGB	
CC(C)N(C[C@H]1CCN(C(=O)CCl)C1)C(=O)OCc1ccccc1	79412009	AOLTXHGNDJELKG-INIZCTEOSA-N	352.862	3.121	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCCC3)c(C)c2)cc1	33574600	QUKNVLGAQFSKFO-HMAPJEAMSA-N	364.449	3.318	50	40	FGGB	
O=C1c2ccccc2C(=O)c2c1ccc1c2C(=O)[C@@H](Br)S1	100368016	LBSDFBZODQDVPM-INIZCTEOSA-N	359.200	3.471	50	40	FGGB	biogenic
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccc(F)cc1	4357558	QTCGPFVKRYXWAP-FYJGNVAPSA-N	370.384	3.488	50	40	FGGB	
CCOC(=O)[C@H](C(=O)CBr)c1ccc(C(F)(F)F)cc1	1857794465	IMYPDLSECYQHIR-NSHDSACASA-N	353.134	3.316	50	40	FGGB	
N#C/C(=C/c1cccs1)c1nnc(N2CCOCC2)n1-c1ccccc1	33651187	UOGILQFJUHPEEZ-SQFISAMPSA-N	363.446	3.230	50	40	FGGB	
C/C(=N\NC(=O)[C@@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	43970308	UVVKROWMODIION-BGARDKSCSA-N	359.407	3.343	50	40	FGGB	
COc1ccc(C(=O)N/N=C\c2coc3ccc(Cl)cc3c2=O)cc1	15933651	GGKKFBQWCWHOLG-UKWGHVSLSA-N	356.765	3.219	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2O)c2ccccc21	409390989	GONCNCWHGQTQIQ-LPYMAVHISA-N	361.401	3.061	50	40	FGGB	
Cc1cc(O)nc(Sc2oc(C=C(C#N)C#N)cc2Br)n1	409104747	FHQZZSLUEAOSEJ-UHFFFAOYSA-N	363.196	3.428	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1	1090075	XAKTVGPJVTXSIN-VCHYOVAHSA-N	360.211	3.171	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)o1	5688187	XFPQFHGBKGJVRQ-YBFXNURJSA-N	356.382	3.169	50	40	FGGB	
C[N+](C)(CC(=O)c1ccccc1)C[C@H](Br)CBr	4714758	SRVZSPUBPBPNGZ-GFCCVEGCSA-N	364.101	3.104	50	40	FGGB	
COC(=O)[C@@H](C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	100333101	GYPLQZOEZNEGFT-GOSISDBHSA-N	350.398	3.274	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1OCC	831065	DMDGQLKNSPFJPG-KNGGAZFVSA-N	356.422	3.322	50	40	FGGB	
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)CBr)c2)cc1	27529759	UCPPIIMKLZZEHS-UHFFFAOYSA-N	368.252	3.373	50	40	FGGB	in-vitro
COC(=O)c1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1	1424899	MYOGOZIDBNHVJZ-RGVLZGJSSA-N	356.447	3.165	50	40	FGGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1	408855605	GZWYFVUHFDUXDQ-LPKQHDGYSA-N	355.394	3.311	50	40	FGGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2O)c1)c1cccs1	4827586	VYUSVGGSGKXEOT-UDWIEESQSA-N	366.398	3.437	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)[C@@H](C)Nc2nc3ccccc3s2)cc1F	8984407	RUFOUJPACRBVGA-LLVKDONJSA-N	372.425	3.005	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2cc(OC)ccc2OC)c(C)c1	408914173	VVIVLYFZJHKDCJ-HYARGMPZSA-N	370.449	3.494	50	40	FGGB	
O=C(N/N=C/c1cccc(Cl)c1)C1CCN(C(=O)c2ccccc2)CC1	409006542	OSWRREWUZNHECT-HYARGMPZSA-N	369.852	3.343	50	40	FGGB	
CS(=O)(=O)[C@H](Br)[C@H](O)c1ccc(-c2ccccc2)cc1	96519000	SIWPZBOJBULMML-CABCVRRESA-N	355.253	3.153	50	40	FGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccc(F)cc1	5206810	STHCTDIRYKISCG-GIJQJNRQSA-N	351.175	3.361	50	40	FGGB	
CCOC(=O)/C(C#N)=C\C=C/C(C)=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	17139585	GHHVSGXYOHXDPS-JYLGEYMRSA-N	372.337	3.388	50	40	FGGB	
N[C@@H](CCSCc1ccc(N(CCCl)CCCl)cc1)C(=O)O	2036555	JIGGGKKAQQBEPX-AWEZNQCLSA-N	365.326	3.006	50	40	FGGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])c(O)c1	36020509	UGLDQGGXNACVJL-SRZZPIQSSA-N	364.361	3.016	50	40	FGGB	
C/C(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)=N\NC(=O)CC#N	100059400	NIKPVLOCSDFASD-ODCIPOBUSA-N	360.723	3.093	50	40	FGGB	
O=C(NNS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1cccc(O)c1	7382937	AEHCIIPATQGBSK-UHFFFAOYSA-N	374.462	3.063	50	40	FGGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1	20197493	HNVDRVBKMZBSTM-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
CCOc1cc(C(=O)NNC(=O)CC(C)(C)C)cc(OCC)c1OCC	12821384	IBAXFXHCBAPWJX-UHFFFAOYSA-N	366.458	3.080	50	40	FGGB	
O=C(Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N/N=C/c1cccs1	4501724	FYMVMPRNDNODIP-QGMBQPNBSA-N	357.313	3.368	50	40	FGGB	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3[nH]2)cc1	4691315	RMBWVAHVHRGADT-UHFFFAOYSA-N	371.462	3.089	50	40	FGGB	
Cc1c(C(=O)N(C)C)sc(NC(=O)/C(C#N)=C/c2cccs2)c1C#N	17075923	JRCNJUYZXBWHBC-YRNVUSSQSA-N	370.459	3.237	50	40	FGGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	408805339	AFERIXPWUARBCA-GXDHUFHOSA-N	369.808	3.010	50	40	FGGB	
COc1cc(/C=C(\C#N)c2ccc3c(c2)OCO3)c([N+](=O)[O-])cc1OC	409366413	UYARCXMZEXDEDK-WLRTZDKTSA-N	354.318	3.405	50	40	FGGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(OC)c1	409244550	FJEMCCDPMVSWJP-KWZJRMENSA-N	366.417	3.497	50	40	FGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1	43776418	MQFDFOROAZYHCP-XDHOZWIPSA-N	357.207	3.225	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)NN=Cc1cccc([N+](=O)[O-])c1)c(C)n2C	1802378	AGALBOMOZSQEGC-UHFFFAOYSA-N	366.377	3.167	50	40	FGGB	
CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)/C1=N/NC(=O)c1ccccc1	100647953	HGZWWLLMRXTWEA-GFMRDNFCSA-N	372.428	3.423	50	40	FGGB	
COCCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2)c1	3227757	SLHCLBAMVOMREN-LDADJPATSA-N	367.401	3.371	50	40	FGGB	
CC(C)=NNC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1	409026958	KSPWFUROGUCDMG-UHFFFAOYSA-N	373.478	3.087	50	40	FGGB	
C[C@@H](I)C(=O)Nc1ccc(Br)cc1	72226328	RKROXPRGDAZGSX-ZCFIWIBFSA-N	353.985	3.211	50	40	FGGB	
N#CCOc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	8101290	DSICPEDLRQVTKI-RGVLZGJSSA-N	359.838	3.485	50	40	FGGB	
N#C/C(=C/c1cn(CC(=O)O)c2ccccc12)C(=O)Nc1ccccc1F	203604880	TUELAJRVCGLGPW-LCYFTJDESA-N	363.348	3.411	50	40	FGGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1	6497385	HJPUVMPHUBOLBO-OAHLLOKOSA-N	350.846	3.394	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cccc(Br)c2)c(OC)c1	6736101	MPKSQPAETHNOEI-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C\[C@@H]2CC=CCC2)c(=O)n(-c2ccccc2)n1C	102677252	QAPMBUJIRRZXSL-UDLNKVAWSA-N	362.433	3.229	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	59133424	HLMKKJZOWNQDJL-XGHPXPSOSA-N	366.417	3.497	50	40	FGGB	
N#CC1=C(c2ccccc2)OC2(N)OC(c3ccccc3)=C(C#N)C12C#N	31829787	NNTDJEMXJBHJCG-UHFFFAOYSA-N	352.353	3.039	50	40	FGGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1cc(C)c(C)cc1Br	16267900	SPDJOPOSHHLDLS-JYRVWZFOSA-N	374.238	3.200	50	40	FGGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)CNc1ccccc1C	5337880	BXCNDVBBRJVPAU-CQVFAYRWSA-N	351.406	3.341	50	40	FGGB	
COc1cccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)c1	831993	ZONGRYORUCRIGS-UHFFFAOYSA-N	360.413	3.366	50	40	FGGB	
Cc1ccccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	940933	YIWPDWOKLHKVLX-UHFFFAOYSA-N	353.205	3.142	50	40	FGGB	
O=C(NNc1ncccn1)C1(c2cccc(C(F)(F)F)c2)CCCC1	44717395	IHPDALKQOSHISF-UHFFFAOYSA-N	350.344	3.451	50	40	FGGB	
O=C(CCl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1	408921079	CPURQJDGOPYVDF-UHFFFAOYSA-N	359.234	3.318	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2cccn2-c2ccc(O)cc2)cc1C	409023472	NNTJCSGYDXRNMI-YDZHTSKRSA-N	362.433	3.362	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OC	409052609	ITSZIJLUBXQGQE-CIAFOILYSA-N	356.809	3.433	50	40	FGGB	
CCO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C\c1ccc(OC)c(OC)c1	32216629	TZVCISFOGADYKA-UHAQPVPASA-N	368.433	3.106	50	40	FGGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCC(=O)O	6439550	HEMHBHZEGLSWOC-SXGWCWSVSA-N	367.357	3.311	50	40	FGGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)o1	17045165	IMZYHUBSPARRBJ-FLIBITNWSA-N	355.419	3.173	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2OC)c1	59133428	DTXXQYYDVKIFFV-UVTDQMKNSA-N	368.389	3.267	50	40	FGGB	
Cc1cc(C)c2c(N)c(C(=O)NNC(=O)c3cc(C)c(C)s3)sc2n1	24843308	NWMZSIBLGQOCLG-UHFFFAOYSA-N	374.491	3.248	50	40	FGGB	
COc1ccc(OC)c(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)c1	38654514	SQIUKVVJITZLIO-UHFFFAOYSA-N	360.366	3.133	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccn1)[C@H](Br)C2=O	6859203	COXDGJRANVSIPH-LYRGGWFBSA-N	351.244	3.179	50	40	FGGB	
CC(=O)Nc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	9468382	BIUYMDJCGFELNX-RVDMUPIBSA-N	371.404	3.220	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408794510	JIJAUZBOXLTWPM-SFQUDFHCSA-N	364.401	3.483	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=N\NC(=O)c1cc2ccccc2o1	408856621	JKTFPYLCKPDHCE-MTJSOVHGSA-N	366.373	3.139	50	40	FGGB	
CCCCc1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	3174832	YNZAEFUNBFNCTJ-UDWIEESQSA-N	371.393	3.172	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1O)c1cccc(N2Cc3ccccc3C2)c1	4456045	UUCINTWDXWEQBJ-FSJBWODESA-N	373.412	3.382	50	40	FGGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)ccc1O	1052569	BRDKFUGNWWNKDV-DJKKODMXSA-N	362.227	3.025	50	40	FGGB	
CCCS(=O)(=O)[C@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	55219882	GQZVZRJFGHSUQN-SSDOTTSWSA-N	373.689	3.303	50	40	FGGB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1ccc2ncccc2c1	5120265	ZJHQIGPDGNUBFN-KOWBDXASSA-N	368.437	3.084	50	40	FGGB	
O=C(CSCc1ccccc1)NNC(=O)c1cc2ccccc2cc1O	18192313	IFWACIQFLZBKDX-UHFFFAOYSA-N	366.442	3.240	50	40	FGGB	
C[C@@H]1CN(c2ccc(NC(=O)/C(C#N)=C\c3ccco3)cc2)C[C@@H](C)O1	71846813	WANMIKQLEDDBJZ-AFYLJXPJSA-N	351.406	3.439	50	40	FGGB	
CN1CCN(/C(=C\C=C(C#N)C#N)c2ccc(Br)cc2)CC1	19691035	WAMOBYJUMCNMDM-IDUWFGFVSA-N	357.255	3.011	50	40	FGGB	
COC(=O)c1ccc2nc(NC(=O)[C@H](Br)C(C)C)sc2c1	20133469	LPXUNXOOJDQGEF-LLVKDONJSA-N	371.256	3.441	50	40	FGGB	
O=C(Cc1ccccc1)NNC(=S)Nc1cccc(C(F)(F)F)c1	642422	XIEFQWMNHKMFQL-UHFFFAOYSA-N	353.369	3.266	50	40	FGGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@@H]1CCCO1	2674140	PXRDWUWDYHFBAL-FNGUVFISSA-N	362.429	3.468	50	40	FGGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)NCc1ccco1	2744814	NDIRUPUUMKTLMB-KPKJPENVSA-N	361.195	3.274	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)cc2C)c1	3117368	ZBKOUHSHEBIULX-FYJGNVAPSA-N	353.422	3.181	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1O	4509028	LDBLJPBOQVAOLW-UDWIEESQSA-N	369.377	3.192	50	40	FGGB	
CN(C)c1ccc(/C=C/C=N\NC(=O)COc2cccc3cccnc23)cc1	409019134	YPYABPYUDCBIAK-JGJTYRLRSA-N	374.444	3.495	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc(OC)c1OC	831147	ZCJHWIUPAGNFIM-DZUMZMOTSA-N	374.462	3.343	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCCOC)ccc1OCC(C)C	6210040	MWTVFLSIMUEQBP-GZTJUZNOSA-N	360.454	3.180	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)c2cccs2)cc1Br	5512052	VYFQOKOZVQLYFI-LZYBPNLTSA-N	369.240	3.292	50	40	FGGB	
Cc1cc2c(c(=O)n1C)[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	20101009	HUFSEKVOIOLNLD-CYBMUJFWSA-N	362.216	3.219	50	40	FGGB	
CN1C(N)=C(C#N)[C@@H](c2cccc(Br)c2)C2=C1CCCC2=O	409147993	NZJJWZXVORDOQX-OAHLLOKOSA-N	358.239	3.179	50	40	FGGB	
Cc1cc(SCC(=O)N/N=C/c2ccccc2O)nc2ccccc12	871004	NNMSHTLZEBOXSE-RGVLZGJSSA-N	351.431	3.491	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(I)cc1)c1ccc(C)o1	10118577	URGISLPMEZRIEZ-MHWRWJLKSA-N	368.174	3.347	50	40	FGGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NC[C@@H]1CCCO1	27024807	BCKFUPVRJBWFBE-SHRNQRGKSA-N	367.361	3.057	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)c2ccc(C)cc2OC)cc1OC	408887716	SQORJGWEIHJCFI-KEBDBYFISA-N	362.813	3.438	50	40	FGGB	
CCOC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccc(OC)cc2)cc1	33667957	HAKHZZRKQRDJRD-VBKFSLOCSA-N	351.358	3.384	50	40	FGGB	
CCCn1nc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1C	253401527	NFEHBTPEVWRWKK-QGZVFWFLSA-N	354.454	3.361	50	40	FGGB	
C/C=C1\C[N@+]2(CCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	252460043	BDPFMCBRYUSSOJ-IMDYZKOTSA-O	351.470	3.487	50	40	FGGB	biogenic
Cc1c(C(=O)N/N=C/c2cccc(Br)c2)cccc1[N+](=O)[O-]	59447275	MBGDCCOGJKTNHX-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1)C(=O)O	408856965	MCEQFIQLSBDHOP-XEQXHXIFSA-N	361.785	3.348	50	40	FGGB	
N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@H]1c1ccc([N+](=O)[O-])cc1	13207761	VAXVPFKKZZZFNU-HNNXBMFYSA-N	359.345	3.203	50	40	FGGB	
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCC	8846175	QFMSYTWRNOUVNL-HXUWFJFHSA-N	363.417	3.450	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccccc1	408797487	RXHNKYZWIMTFOF-MDWZMJQESA-N	356.765	3.349	50	40	FGGB	
CC(C)C(=O)N/N=C\c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	83259638	YCQJEHUDAOEIHI-NHDPSOOVSA-N	373.840	3.464	50	40	FGGB	
COc1cc(C=O)ccc1OC[C@@H](O)C[C@H]1C=C(C=O)c2ccccc21	95117203	SUMOGIHYJKLDLE-WBVHZDCISA-N	352.386	3.017	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)cc([N+](=O)[O-])c1O	14134582	UCNMFPVQWXQMDX-RGVLZGJSSA-N	371.393	3.009	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cc(F)cc(F)c1	15087242	FCGBHHXOOQJUJO-OAHLLOKOSA-N	352.296	3.289	50	40	FGGB	
CCN1c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc2C(C)=CC1(C)C	208501984	MNFZLMFHUJYLIJ-PDGQHHTCSA-N	365.477	3.474	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)/C=C/c2ccc(F)cc2)ccc1Cl	6477525	UGFUHMMGJZUJIA-RUDMXATFSA-N	362.788	3.027	50	40	FGGB	
Cc1ccccc1CC(=O)NNC(=O)c1sc(-c2ccccc2)nc1C	7522312	WNASTMPSLAAZKT-UHFFFAOYSA-N	365.458	3.431	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2)c(OC)c1	12362331	YFSOJTLFYPOKNS-UDWIEESQSA-N	362.813	3.276	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)CCc2ccco2)c(C)n1-c1ccc(F)cc1	24350637	XMLFUSPCLIFKTK-UHFFFAOYSA-N	369.396	3.220	50	40	FGGB	
O=C(CCc1cccnc1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1	8144515	WHXVEHHBRJKEHE-UHFFFAOYSA-N	369.421	3.343	50	40	FGGB	
Cc1ccccc1OCc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)o1	17075223	YUPRZBLQYHMELX-QMJOVRGKSA-N	366.417	3.369	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)Nc1cccc(C)c1	408745026	JDPGODYFLIMAAS-KVVHSQDJSA-N	358.401	3.422	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1	408588626	JEMGOAZMNRTZKP-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)c1	33687876	BZGCWXSHGXDZMP-CIAFOILYSA-N	372.421	3.264	50	40	FGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OC(C)C)cc2)n1	43916651	TUNKOQGKNRHPOI-VXLYETTFSA-N	358.467	3.123	50	40	FGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1OCC	207819869	GSAKVQDWRGACMX-UYRXBGFRSA-N	360.413	3.321	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)c(OC)c1	8558497	YYDCQAAKCAARIS-CIAFOILYSA-N	369.421	3.062	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1cccc2ccccc12	1437713	FXHQIAFIABEAME-FYJGNVAPSA-N	363.373	3.449	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccccc1	66255746	DQZUQGOBGKEXGO-VBKFSLOCSA-N	351.381	3.208	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1-c1sc2c(c1C#N)CCCC2	408861968	CCIRWDBJNLHLQI-ZSOIEALJSA-N	350.447	3.298	50	40	FGGB	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccccc2)c(C(=O)OCC)s1	15575490	CPLLLTFYZHYIEK-ACCUITESSA-N	371.418	3.369	50	40	FGGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C#N)cc1	57786865	IWBFIUVEJDHFDL-VXLYETTFSA-N	358.195	3.093	50	40	FGGB	
COC(=O)N/N=C/c1cn(CCOc2ccc(OC)cc2)c2ccccc12	2285270	HLBBPLYTXDRNEG-FYJGNVAPSA-N	367.405	3.419	50	40	FGGB	
Cc1ccsc1/C=C(\C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	14358996	XOTCLTTUTDLGDB-IZZDOVSWSA-N	371.374	3.282	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408939046	MSHBIFFDPBIEGT-OVMKCGGTSA-N	374.872	3.112	50	40	FGGB	
N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408792526	AQKTUHQYVXAEMC-RMKNXTFCSA-N	362.139	3.496	50	40	FGGB	
C[C@@H](Br)[C@@H](Br)c1nc(O)n(-c2ccccc2)n1	4266398	GBUCCYDGQWBNJN-VXNVDRBHSA-N	361.037	3.192	50	40	FGGB	biogenic
CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	3060250	AQVXWQMNSVFCRA-DEDYPNTBSA-N	355.394	3.467	50	40	FGGB	
O=C(NNc1nc2c(F)cc(F)cc2s1)c1ccc2c(c1)OCCO2	5025728	SDSLZQGOXXIXNI-UHFFFAOYSA-N	363.345	3.103	50	40	FGGB	
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccc(O)c3)[nH]n2)cc1	9186577	UIJQQKIKKWPCKM-FYJGNVAPSA-N	364.405	3.335	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(OC)c1OC	2708452	GPPHPGSINVQUEE-MDWZMJQESA-N	356.353	3.397	50	40	FGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cccc(C(F)(F)F)c1	408962382	HXJHRDVXXQSPNS-UFWORHAWSA-N	353.256	3.083	50	40	FGGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36245407	HITKOCLIQBVQPW-RGVLZGJSSA-N	371.393	3.127	50	40	FGGB	
CC(C)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)CCl	79392702	WJHCHEJRMNKIJV-INIZCTEOSA-N	352.862	3.263	50	40	FGGB	
CCCCOc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	2053360	PNBYTLBMXOMMOB-UHFFFAOYSA-N	354.299	3.334	50	40	FGGB	
C/C(=N/NC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1	5369749	NAJDSFYJPTWHMS-ZDLGFXPLSA-N	361.195	3.332	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1	4778784	FCBSVVHAFVBLAP-AYPRBGQRSA-N	371.393	3.343	50	40	FGGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1	6943095	DTOLYNVWWXWGSR-DEDYPNTBSA-N	356.447	3.399	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)cc1	225369027	JGYQORNKOHPTEJ-NHDPSOOVSA-N	352.390	3.011	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1[N+](=O)[O-]	5618271	IDQDQRGJZXXJOQ-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1cccc(Cl)c1	13343047	PBDOOZRMNKWOGL-MDWZMJQESA-N	356.765	3.349	50	40	FGGB	
CCCCOc1ccccc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	3660721	DFGLONQIWHEGSL-XSFVSMFZSA-N	355.394	3.467	50	40	FGGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nn1cnnc1	859783	KPJSIWZSLCHFHT-KPKJPENVSA-N	373.294	3.234	50	40	FGGB	
C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1ccccc1OC(F)F	5752812	LNNCXTVBMKJKAP-WSDLNYQXSA-N	359.332	3.079	50	40	FGGB	
CCCCN1C(=O)/C(=N/NC(=O)CNc2ccccc2C)c2ccccc21	18137953	UXRTVNLNNNILIG-HIXSDJFHSA-N	364.449	3.074	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCCOc1ccc(C)cc1	9553524	GXTYEOKHXXJGLM-SFQUDFHCSA-N	366.417	3.244	50	40	FGGB	
Cc1cc(/C=N\NC(=O)c2ccncc2)c(C)n1-c1cccc([N+](=O)[O-])c1	30814088	KJMGGEMMQXLHGA-MTJSOVHGSA-N	363.377	3.161	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)c(OC)c2)cc1	4544318	AFPBNXXDWTUDNF-FYJGNVAPSA-N	356.422	3.184	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@H](c2sccc2C)CC(=O)N1	9087317	UHSNLVBURNJDPW-GFCCVEGCSA-N	364.492	3.472	50	40	FGGB	
Cc1c2ccccc2c(/C=N\NC(=O)CN2CCOCC2)c2ccccc12	408999130	KJPKNBNXXTZXBZ-UCQKPKSFSA-N	361.445	3.084	50	40	FGGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccccc1	59502297	JCUQEFFRABGDHQ-MHWRWJLKSA-N	350.159	3.055	50	40	FGGB	
Cc1ccc(S[C@@H](C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1	12851137	NKBZFACHRCITBJ-AWEZNQCLSA-N	367.474	3.347	50	40	FGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1	4670440	HGTUNXXEOGSGCL-LIJKSJPWSA-N	353.378	3.406	50	40	FGGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)cc1	409316090	XOSVQABLIQOYBY-JCMHNJIXSA-N	366.417	3.260	50	40	FGGB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)cc1C	408907791	RZCMMGZMCLHERI-UHFFFAOYSA-N	352.843	3.282	50	40	FGGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	33497422	MUGXUVMXFCJFPC-UUYOSTAYSA-N	366.348	3.477	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc3c(c2)OCO3)cc1	16323250	PEJHHOZFBWVPMC-UHFFFAOYSA-N	354.406	3.242	50	40	FGGB	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1	6323424	YGYHPBCJPCKPDW-DMGPTTAYSA-N	363.461	3.487	50	40	FGGB	
C[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc4c(c3)OCO4)[C@H]2C1	4631526	JSPXAEVOLADDRD-VRHCTWJESA-N	358.401	3.255	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccco2)o1	408722387	IBDFGFDANDDEBM-VCHYOVAHSA-N	355.306	3.220	50	40	FGGB	
COC(=O)N/N=C/c1ccccc1OCCCOc1ccccc1OC	30930101	OBWGUCGIOFORLI-XSFVSMFZSA-N	358.394	3.233	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@H]2c1ccccc1Br	4730564	JSOCQTAWWOSRTI-OAHLLOKOSA-N	372.266	3.473	50	40	FGGB	
CCCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccnc2)[nH]n1	8902837	PNACTQKCYVZCQO-HYARGMPZSA-N	363.421	3.415	50	40	FGGB	
N#CC(=C1S[C@H]2CS(=O)(=O)C[C@@H]2S1)c1nc2ccccc2s1	3174081	PPXUHJUSHORBBS-RYUDHWBXSA-N	366.514	3.134	50	40	FGGB	
Cc1nc2ccccn2c1C(=O)N/N=C1/CCSc2ccc(F)cc21	38379117	QTXVSEMIRNJUSF-STZFKDTASA-N	354.410	3.412	50	40	FGGB	
COc1cc(C=C(C#N)C#N)ccc1OCC(=O)N1[C@H](C)CCC[C@H]1C	8777115	DOQFXLARIYPOFQ-HUUCEWRRSA-N	353.422	3.294	50	40	FGGB	
O=C(NNC(=O)c1ccc(Br)s1)c1cc2ccccc2o1	6507658	CWVVTNOWZKLHAY-UHFFFAOYSA-N	365.208	3.332	50	40	FGGB	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)NCCc1c[nH]c2ccccc12	408953250	PJUSHZIINBPDQP-BOPFTXTBSA-N	359.385	3.132	50	40	FGGB	
CCOc1cc(C(=O)NNC(=O)CCC(C)C)cc(OCC)c1OCC	12822432	YWUBRRLXUHMFFC-UHFFFAOYSA-N	366.458	3.080	50	40	FGGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	101139700	WDIQUUUDPFRZBM-OQLLNIDSSA-N	363.329	3.077	50	40	FGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1	1096986	ZYNUQBYUHQQJFK-CIAFOILYSA-N	366.373	3.139	50	40	FGGB	
O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1ccncc1	409063446	KXUMLXFEJXUIJG-LSFURLLWSA-N	371.759	3.220	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408941056	PHUWONQNSZNVPQ-OOXYOOLHSA-N	368.481	3.076	50	40	FGGB	
Cc1cccc(N2C(=O)CS/C2=N/NC(=O)c2cccc(Cl)c2)c1	4001492	NVEXMGQPKHUXBI-LVZFUZTISA-N	359.838	3.429	50	40	FGGB	
Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1C	20086705	OBQOLLMBJVIVHU-QGZVFWFLSA-N	356.381	3.444	50	40	FGGB	
CCCCCCC(=O)Nc1nnc(CC(=O)N/N=C/c2ccccc2)s1	408730160	FWYAFXNGTNXNPJ-CPNJWEJPSA-N	373.482	3.140	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c([N+](=O)[O-])c1	4600514	UMMUDBIGKRFMCZ-GXDHUFHOSA-N	366.377	3.215	50	40	FGGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2ccccc2Cl)c(C)c1C#N	408721422	HGNLMUFZBDLPQF-UFWORHAWSA-N	360.826	3.304	50	40	FGGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	33663618	PQFYJBLIGLLXIN-DABDWFRDSA-N	355.394	3.465	50	40	FGGB	
O=C(CSc1cccc2cccnc12)N/N=C/c1ccc2c(c1)OCO2	2283373	ICWYINWVCCKYSI-UFFVCSGVSA-N	365.414	3.206	50	40	FGGB	
O=C(O)c1ccc(COc2ccccc2/C=N/NC(=O)c2ccco2)cc1	4681941	PUGDODRKUQFJJX-CIAFOILYSA-N	364.357	3.321	50	40	FGGB	
Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)C2CCCCC2)cc1	9884962	OAFCYKTVEYWTOX-UHFFFAOYSA-N	371.437	3.212	50	40	FGGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)c1	408759623	ICFBCZSGXZHNAV-GDNBJRDFSA-N	350.374	3.452	50	40	FGGB	
CC1=C(/C=C/C(C)=N/NC(=O)C[C@H]2CCS(=O)(=O)C2)C(C)(C)CCC1	584906767	TWFSXIKAOZUFGQ-BRSVINRQSA-N	366.527	3.386	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)CNc1ccc(Br)cc1	1501021	ZXRZYVXSAGFLSJ-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
C[C@@H](CC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1	14093756	FQZUBGIUUBQFMY-LBPRGKRZSA-N	361.239	3.404	50	40	FGGB	
Cc1c(/C=N/NC(=O)C2CC2)c2ccccn2c1C(=O)c1ccc(F)cc1	6684290	SLXXXMJLMOUTIA-FSJBWODESA-N	363.392	3.478	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)ccc1O	7993675	GWLJHWNKXCETON-GIJQJNRQSA-N	350.827	3.297	50	40	FGGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@](O)(C#N)[C@@]4(C)CC[C@@H]32)C1	118918481	FQCJGWJLPOAZDO-IJKXCVAVSA-N	373.493	3.106	50	40	FGGB	
COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CCCl)[C@@H]1O5	104193404	OHOGXXYPAHXKHY-KPOBHBOGSA-N	359.853	3.034	50	40	FGGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc(Cl)cc1	5576101	XHQIETHJWABHFQ-RGVLZGJSSA-N	354.797	3.304	50	40	FGGB	
N#CCOc1ccccc1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	408848109	PQKBHBGBRUIPGO-AQTBWJFISA-N	370.412	3.336	50	40	FGGB	
CCCCCCn1c(S[C@@H](C)C(=O)NNC(C)=O)nc2ccccc21	95468553	SGULOMLPNQKAGV-ZDUSSCGKSA-N	362.499	3.265	50	40	FGGB	
Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccc(F)cc2)CC1	409006575	PJUBMCVXENSVDI-OEAKJJBVSA-N	367.424	3.137	50	40	FGGB	
CCOc1cc(C(=O)NN)cc(Br)c1OCc1ccccc1	216836959	DFHBMXGLNMJZPT-UHFFFAOYSA-N	365.227	3.030	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1	3237885	LVCMIBCTHWVLMP-XNTDXEJSSA-N	366.373	3.123	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NC[C@H]1CCCO1	16437533	KOSKBZPQONSQKU-IDKBZEPQSA-N	367.361	3.057	50	40	FGGB	
O=C(Cc1nc2ccccc2[nH]1)N/N=C/c1ccc(Br)cc1	5532437	MRLXBINVYSBXKB-VCHYOVAHSA-N	357.211	3.018	50	40	FGGB	
N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cccc(Br)c1)OCO3	2502530	BSBMOMVOGHVHAY-MRXNPFEDSA-N	371.190	3.396	50	40	FGGB	
COc1cc2c(cc1/C=N\NC(=O)c1ccc(Cl)cc1Cl)OCO2	409067868	QJDPJUVRKZGZNL-GXHLCREISA-N	367.188	3.495	50	40	FGGB	
Cn1cnnc1Sc1ccc(/C=C(\C#N)c2ccccn2)cc1[N+](=O)[O-]	5693048	LISCURCUSNSXBH-MDWZMJQESA-N	364.390	3.334	50	40	FGGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	408797639	SINQAMUEALWMLJ-UKTHLTGXSA-N	353.765	3.494	50	40	FGGB	
CCOc1cc(C(=O)NN)ccc1OCc1ccc(Br)cc1	226328936	MNZBLEGLGAABAM-UHFFFAOYSA-N	365.227	3.030	50	40	FGGB	
CCOC(=O)C1=C(C)NC(=C(C#N)C#N)C(C#N)=C1c1ccccc1Cl	100253779	STCRVKDPSOGLDR-UHFFFAOYSA-N	364.792	3.359	50	40	FGGB	
CN1CSC2=C(C#N)[C@H](c3ccc(Br)cc3)CC(=O)N2C1	20238293	MWUGGTKLPVGWIR-LBPRGKRZSA-N	364.268	3.094	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1OC	408863017	OIVGQUHEWBKUBV-SSDVNMTOSA-N	366.339	3.415	50	40	FGGB	
O=C(N/N=C/c1cccnc1)[C@@H]1Oc2ccccc2O[C@@H]1c1ccccc1	33533990	YNXXUAWDFJILHC-XHGDNALNSA-N	359.385	3.113	50	40	FGGB	
COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@H]1Cl	4817641	CYFNCZCKUMVNJB-IIAWOOMASA-N	355.887	3.241	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OCC	6657107	PMMGAAVGMGWKML-FYJGNVAPSA-N	372.421	3.265	50	40	FGGB	
COc1ccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccco2)cc1	1021184	MWOHRBNTGZUVSL-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(N2Cc3ccccc3C2)cc1	408734266	OFPWHUWRJRVHMY-FSJBWODESA-N	373.412	3.382	50	40	FGGB	
O=C1c2ccccc2C(=O)c2c1ccc1c2C(=O)[C@H](Br)S1	3845267	LBSDFBZODQDVPM-MRXNPFEDSA-N	359.200	3.471	50	40	FGGB	biogenic
COC(=O)/C(C#N)=C(\SC)[C@H]1/C(=C(\C#N)C(=O)OC)C=C(C)CC1(C)C	16607120	GZWRAEXFDIVDSA-NUZWBVJBSA-N	374.462	3.286	50	40	FGGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(-n2cccn2)cc1	12061853	CQCPPGGUZRZRQU-UHFFFAOYSA-N	370.412	3.029	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)c(C)n1-c1ccc(F)cc1	3234643	DRESXLHBSJSLFI-KEBDBYFISA-N	370.340	3.498	50	40	FGGB	
Cc1c(C(=O)NN=Cc2cc(Cl)cc(Cl)c2O)sc(N)c1C#N	408730444	QWHGAJLLJPHWTK-UHFFFAOYSA-N	369.233	3.287	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3Cl)CC2=O)cc1	4550513	VNECYAVTPWQMRP-FPQGOQEYSA-N	355.825	3.152	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccccc1	7009030	XDJYOVJEIKRLRQ-BUVRLJJBSA-N	357.413	3.414	50	40	FGGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	6033984	XKNYCJXEOHBXDZ-RIYZIHGNSA-N	369.808	3.058	50	40	FGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cccc(O)c1	100522864	HONUJRWCIBIJQN-OEAKJJBVSA-N	365.433	3.406	50	40	FGGB	
C/C(=N\NC(=O)c1ccoc1C)c1ccc(NC(=O)c2cccnc2)cc1	695736	REEDYGNENBBJRM-YDZHTSKRSA-N	362.389	3.389	50	40	FGGB	
C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1Cl	3131120	BACBFTDLQQOQSJ-KKBVUKDESA-N	364.232	3.262	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc4c(c3)OCO4)cc2c1	409188398	YXKYSRXSDJWJGX-JMIUGGIZSA-N	352.346	3.324	50	40	FGGB	
N#CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccs1	4513507	LKWKFCFEKCMAGF-RQZCQDPDSA-N	364.224	3.177	50	40	FGGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1	408884900	ZACGDXYTXBKPFW-XNTDXEJSSA-N	365.345	3.236	50	40	FGGB	
C[C@H](Br)[C@@H](Br)c1nc(O)n(-c2ccccc2)n1	4266396	GBUCCYDGQWBNJN-IONNQARKSA-N	361.037	3.192	50	40	FGGB	biogenic
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1	4953589	RPVMRAMYGDLJFD-UKTHLTGXSA-N	352.306	3.357	50	40	FGGB	
Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1	7928909	NDWBNFDMJVHJMV-CQSZACIVSA-N	354.362	3.170	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)c2ccc(I)cc2)o1	10118575	YOTACQVOAHFMEB-CXUHLZMHSA-N	368.174	3.211	50	40	FGGB	
O=C(N/N=C/c1ccc(I)cc1)c1cccs1	59197656	RLYXQQQSRHJSSN-RIYZIHGNSA-N	356.188	3.117	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)n[nH]2)cc1	945802	HRFZLGLKMGIRQO-FYJGNVAPSA-N	364.405	3.248	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	942397	PEJHHOZFBWVPMC-SRZZPIQSSA-N	354.406	3.242	50	40	FGGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	101139813	YVNPUMFKWFPPHZ-OQLLNIDSSA-N	363.329	3.077	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)C[C@H](C)c1ccccc1	12983314	BUIKESHBMDKVNM-ZDUSSCGKSA-N	360.841	3.368	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OC	16901419	MQKWIJFMVBHGOA-JYRVWZFOSA-N	356.353	3.397	50	40	FGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(F)cc1)c1ccccc1	408979966	OZNFNDHWGWSMIH-VYVDHXHBSA-N	357.385	3.153	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O	409129213	FSZKCQORSAHJKK-SFHVURJKSA-N	369.440	3.208	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC	408842399	ORCRONOUJDFQEG-UDWIEESQSA-N	369.377	3.241	50	40	FGGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1)c1ccccc1	6182248	ADXSMTDZGBUCQT-SWEXZPIWSA-N	361.445	3.308	50	40	FGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C\c1c(Cl)cccc1Cl	38194768	IKLDDTGJMWUGGG-LSCVHKIXSA-N	368.176	3.431	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c1	1048522	SBAHTASUQNQEIT-UFWORHAWSA-N	369.204	3.480	50	40	FGGB	
O=C(N/N=C/c1cc(Br)c(O)cc1O)c1ccc(Cl)cc1	6221295	WSXBRSHCLUFVIX-REZTVBANSA-N	369.602	3.278	50	40	FGGB	
Cc1cc(/C=N\NC(=O)c2cccs2)c(C)n1NC(=O)c1ccccc1	8334715	SLOYONVIHFZNMK-NDENLUEZSA-N	366.446	3.314	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)cc1	5598595	HUOMBOHDUGIUNG-OQLLNIDSSA-N	364.357	3.138	50	40	FGGB	
CCn1cc(Br)c(C(=O)N/N=C/C(C)=C/c2ccco2)n1	2782473	YYWXYDAKXKRULY-YHQUMQLZSA-N	351.204	3.078	50	40	FGGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1ccc(Br)o1	4691495	PDRSQGHTCYXYJR-UHFFFAOYSA-N	373.206	3.199	50	40	FGGB	
C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1ccc(O)cc1O	5528713	BQYJBUYRHGVSHO-SVXRXWARSA-N	373.459	3.338	50	40	FGGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2cccc(C)c2)c2ccccc21	5737840	WEOOCMJKVQBCSX-ATJXCDBQSA-N	365.433	3.041	50	40	FGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1O	6901714	YPLHGJWCPFQPBX-SRZZPIQSSA-N	368.824	3.363	50	40	FGGB	
Cc1cccc2cc(/C=C(\C#N)C(=O)NC[C@@H]3CCCO3)c(Cl)nc12	7159858	JHANMEDCTCNBSA-LRQZKABGSA-N	355.825	3.399	50	40	FGGB	
Cc1ccc(O[C@H](C)C(=O)N/N=C/c2ccncc2)c(Br)c1	943563	NQZSJCAJQMVUJS-AINDZBIGSA-N	362.227	3.070	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(C(=O)O)cc1	5690040	QZOTZRCUWAEPCK-WQRHYEAKSA-N	364.401	3.395	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C\c2ccccc2)c(=O)n(-c2ccccc2)n1C	33339656	IOUXIAYYOLWARJ-LGMDPLHJSA-N	358.401	3.030	50	40	FGGB	
COc1cccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)c1OC	2756975	PGSZFADPSZMXLX-CIAFOILYSA-N	356.422	3.356	50	40	FGGB	
C[C@@H]1CCc2sc(C(=O)NNC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2C1	110516233	OGPMJXQUTHSNCF-OWTLIXCDSA-N	363.552	3.170	50	40	FGGB	
C[C@@H](NC(=O)NNC(=O)c1ccccc1)c1ccccc1Br	45127582	YMNJCRRVDSTFDH-LLVKDONJSA-N	362.227	3.154	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1cc(Cl)cc(Cl)c1O	4705057	BQABUECQSVJTGR-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1O	4812811	MGIAQZBEBMRVDI-INIZCTEOSA-N	360.373	3.009	50	40	FGGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)C/C(=N/NC(N)=O)c1ccccc1	13405973	SQVJKDBXGKCJLD-PFNZLKCZSA-N	359.470	3.453	50	40	FGGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	2272153	SGEIDCDRNKVEIX-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
CCCc1[nH]nc2c1[C@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2	4494448	TWQSVPLWZIJUJV-QGZVFWFLSA-N	368.437	3.376	50	40	FGGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl	4574880	WNOHUCOAEMVQTL-QGZVFWFLSA-N	354.793	3.167	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)s3)[C@@H]2C1	4631769	CLOGVZUTBLRIDT-CZUORRHYSA-N	369.881	3.147	50	40	FGGB	
CCCCCOc1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1	9313558	WVUHBRRFRMGMJG-NTCAYCPXSA-N	352.442	3.153	50	40	FGGB	
CCS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(Cl)cc1Cl	96519125	XWJQLVNJQUWGOE-NXEZZACHSA-N	362.072	3.183	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCC(=O)O	16410161	GLLJEGIMKAUOFT-OQLLNIDSSA-N	366.373	3.013	50	40	FGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C2\C(=O)Nc3ccccc32)c1	4320943	ADFIDFPJNGFSTQ-UHFFFAOYSA-N	353.447	3.009	50	40	FGGB	
Cn1c(CC(=O)N/N=C/c2cccc(Br)c2)nc2ccccc21	20823770	LOGBQLYFCIFLCQ-YBFXNURJSA-N	371.238	3.029	50	40	FGGB	
CCn1c(SCC(=O)N/N=C\c2ccco2)nnc1-c1ccc(C)cc1	1790301	GOECFVQJMZJYOJ-ODLFYWEKSA-N	369.450	3.109	50	40	FGGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1	2265043	PURZZNDYDVSQGG-PZUDMAOCSA-N	355.463	3.122	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)Nc1ccccc1	409104650	GMLPWECBADDTMK-STZFKDTASA-N	368.437	3.460	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCc2ccccc2)cc1	4698586	RJQJPVSYNOAAJM-UHFFFAOYSA-N	354.450	3.143	50	40	FGGB	
O=NN(CCN(N=O)C(=O)NC1CCCCC1)C(=O)NC1CCCCC1	4807589	RVKJRHLXLFLTJL-UHFFFAOYSA-N	368.438	3.038	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1	408973658	NSHHURYLBROXRR-IYHCKTHZSA-N	363.461	3.276	50	40	FGGB	
Cc1c(C(=O)NN=Cc2ccc(Br)cc2)sc(N)c1C#N	408728903	AEKTXEANGJSLJW-UHFFFAOYSA-N	363.240	3.037	50	40	FGGB	
CCS(=O)(=O)[C@@H](Br)C(=O)c1ccc(Cl)cc1Cl	96517892	CZURFAKLIHUFNZ-SNVBAGLBSA-N	360.056	3.332	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3[nH]2)cc1	1069102	RZQOLJANTYUVQV-MTJSOVHGSA-N	354.435	3.204	50	40	FGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(C)o2)c2ccccc21	6630317	CEMAKUWDAROTAW-SRZZPIQSSA-N	367.405	3.178	50	40	FGGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)C2(c3ccccc3)CCC2)c1C	25480012	RZDURDOCZHSRMW-KRWDZBQOSA-N	366.461	3.340	50	40	FGGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	2774227	XUDZKAMXTNCVQR-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
C/C(=N/NC(=O)c1ccc2[nH]cnc2c1)c1ccc(Br)cc1	28351878	XUZIGYCZZQKFNI-JMIUGGIZSA-N	357.211	3.479	50	40	FGGB	
COC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@H]1c1ccccc1F	20792604	OPPKVTVGKRAZTG-ASUYLVSUSA-N	351.381	3.069	50	40	FGGB	
CCCn1c(=O)c(C(=O)N/N=C/c2ccc(F)cc2)c(O)c2ccccc21	100677771	PVHNSOSLJISUOW-WSDLNYQXSA-N	367.380	3.020	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)cc1	2097129	JYIBPVMZISNTCB-FYJGNVAPSA-N	370.405	3.041	50	40	FGGB	
CC1(C)CC(=O)C=C(NNC(=O)CSCc2ccccc2Cl)C1	409184424	WTZMXWVYTBJPBO-UHFFFAOYSA-N	352.887	3.467	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1cc(OC)c(OCC)cc1Br	5953382	MWCGJPRHKKBEGF-IZZDOVSWSA-N	354.200	3.326	50	40	FGGB	
O=C(OC[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](Cl)O1)c1ccccc1	1722638	MJTRUHKBJQWTOJ-YESZJQIVSA-N	360.793	3.423	50	40	FGGB	
Cc1ccsc1[C@H]1[C@@H]2CN(C(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	20813679	MJROWADNOLRKEJ-IAGOWNOFSA-N	363.490	3.190	50	40	FGGB	
O=C(CSc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(N2CCCC2)o1	59138239	FFVDAFWWGLCBQZ-WOJGMQOQSA-N	374.422	3.030	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1n[nH]cc1Br	825442	QSDAQZIIJBVIMP-SYZQJQIISA-N	362.014	3.243	50	40	FGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CN3CCCCC3)c2C)c1	28216571	PHQJSNUQWVIWGR-HYARGMPZSA-N	352.482	3.339	50	40	FGGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1c(Cl)cccc1Cl	12586940	UWXLHMCJWOHMDR-REZTVBANSA-N	353.234	3.395	50	40	FGGB	
C[C@H]1CN(c2ccc(NC(=O)/C(C#N)=C\c3ccco3)cc2)C[C@H](C)O1	64510351	WANMIKQLEDDBJZ-BMWRIWPGSA-N	351.406	3.439	50	40	FGGB	
COC(=O)C1=C(C)NC(N2CCCCC2)=C(C#N)[C@H]1c1ccc(F)cc1	1273496	XVOIXAOCLBHXGG-GOSISDBHSA-N	355.413	3.181	50	40	FGGB	
CC1=CC(C)(C)N2C(=O)/C(=N\NC(=O)c3cccnc3)c3cc(C)cc1c32	101115279	LZCHMHUKVDXFBP-QJOMJCCJSA-N	360.417	3.066	50	40	FGGB	
O=S(=O)(c1ccccc1)c1ccc(CI)cc1	1653746	DLQIKZDWUYFJJA-UHFFFAOYSA-N	358.200	3.454	50	40	FGGB	
O=C(NN(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1	1684312	OHUCINCKUGKWHC-UHFFFAOYSA-N	366.442	3.223	50	40	FGGB	
O=C(N/N=c1\c(=O)c2cccc3cccc1c32)c1ccccc1-n1cccc1	105450230	XEYUBIAHTDKBHJ-FLFQWRMESA-N	365.392	3.265	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OC	408533194	RQVLJZBSBUUPSS-UFFVCSGVSA-N	361.829	3.228	50	40	FGGB	
Cc1ccc(S(=O)(=O)c2ccc(NNC(=O)C3CCCC3)cc2)cc1	14687671	ZYMUHHVLRZMFIO-UHFFFAOYSA-N	358.463	3.461	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2OC)ccc1OC(C)=O	408764351	TWAAJGTVCOOLCD-CIAFOILYSA-N	370.405	3.092	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C\c1ccc(Br)c([N+](=O)[O-])c1	409216653	NGSVTMHCESKLDM-YVLHZVERSA-N	362.183	3.050	50	40	FGGB	
C=CCc1cccc(/C=N/NC(=O)c2cccc(Cn3cccn3)c2)c1O	1081832	RUMRWOPYZIZMFK-HYARGMPZSA-N	360.417	3.129	50	40	FGGB	
CCc1c(C(=O)NNC(=O)c2ccccc2Cl)cnn1-c1ccccc1	32779816	XNNBVCBYLZOPKF-UHFFFAOYSA-N	368.824	3.163	50	40	FGGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(C(F)(F)F)cc1	12564100	KYWIQCLMBKIQNR-UFWORHAWSA-N	352.341	3.107	50	40	FGGB	
O=C(O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)c1	408873333	TXZXWBKIXQMUOR-JAIQZWGSSA-N	350.330	3.114	50	40	FGGB	
N#C/C(=C/c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(O)cc1	4710898	PDHJZYQSPUJOQK-QINSGFPZSA-N	373.368	3.427	50	40	FGGB	
Cc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)o1	6865696	GSCRDLLPDMWCAK-DTQAZKPQSA-N	361.405	3.070	50	40	FGGB	
CCc1ccc(C(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)nc1	3039314	CXRNBKDIXYJRAX-FYJGNVAPSA-N	363.377	3.107	50	40	FGGB	
O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1ccc([N+](=O)[O-])cc1	3101313	BLEIQARGUDYDCO-QSNNTIICSA-N	359.769	3.490	50	40	FGGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2cccc(OC)c2)cc1	818307	HTXJXBIAZUHQER-QGZVFWFLSA-N	367.430	3.004	50	40	FGGB	
C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)c1cnccn1	100527446	CJTYHAGWWPBTQN-MFKUBSTISA-N	373.416	3.278	50	40	FGGB	
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1OC(C)=O	6487484	BMCRJCRLHJMMLK-GZTJUZNOSA-N	371.414	3.349	50	40	FGGB	
Cc1cccc(O[C@H](C)C(=O)NNC(=O)C2(c3ccccc3)CCC2)c1C	25480008	RZDURDOCZHSRMW-QGZVFWFLSA-N	366.461	3.340	50	40	FGGB	
COc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1	2231812	NOQPGVNGJUHAKB-OEAKJJBVSA-N	358.397	3.062	50	40	FGGB	
N#C/C(C(=O)Nc1cccc(Br)c1)=C1/C(=O)Nc2ccccc21	408755652	RRYBFNPTALNCNN-SQFISAMPSA-N	368.190	3.317	50	40	FGGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2)cc1	408875832	LRYQGUWFDXPJOR-FYJGNVAPSA-N	354.406	3.171	50	40	FGGB	
CCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1Br	408760802	GEHOWRHEYJKVSX-FPYGCLRLSA-N	374.032	3.003	50	40	FGGB	
COC(=O)c1ccc(C(=O)NNc2nc3c(C)cc(C)cc3s2)cc1	4121454	DHQRIHPBKHRWEU-UHFFFAOYSA-N	355.419	3.457	50	40	FGGB	
CCN1C(=O)/C(=N\NC(=O)OC(C)(C)C)c2cc(Br)ccc21	100192645	KVLQOWWPNKASAZ-ATVHPVEESA-N	368.231	3.044	50	40	FGGB	
CCc1ccc(NC(=S)NNC(=O)c2ccc(OC(F)F)cc2)cc1	652891	AYAUKKQQDXFJJY-UHFFFAOYSA-N	365.405	3.482	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)c2cc3ccccc3o2)c(OC)c1	681267	ZTRVHLGSDNWIQZ-RGVLZGJSSA-N	354.362	3.223	50	40	FGGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	985167	MGMFVZGNFGTQSG-KRWDZBQOSA-N	357.417	3.361	50	40	FGGB	
CN(C)C(=O)/C(C#N)=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1	1106484	KFEICMIAKUSXFL-LFIBNONCSA-N	351.362	3.169	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)cc1[N+](=O)[O-]	408719435	FBZFPGJUYBXQLB-HWQJWEFDSA-N	359.407	3.234	50	40	FGGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc3cc([N+](=O)[O-])ccc3o1)OCO2	408967362	VEHDCNPMSNIOTC-UFWORHAWSA-N	367.317	3.142	50	40	FGGB	
COc1cccc(C(=O)N/N=C/c2ccc(-c3cccc(C(=O)O)c3)o2)c1	408724817	DABVLKJHVKOAFU-CIAFOILYSA-N	364.357	3.417	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1OCC	4714629	UQJJNAPVEMRNPA-QCBCRBAMSA-N	368.433	3.488	50	40	FGGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Br)ccc2O)cc1C	408567965	QXFPUYJXIUGTMQ-VXLYETTFSA-N	361.239	3.464	50	40	FGGB	
COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)c1	38193616	UTLXGRIJCVPJQR-JLPGSUDCSA-N	374.440	3.390	50	40	FGGB	
COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)c1noc(CCl)n1	70453764	FVVKUGCUEFABSO-CYBMUJFWSA-N	353.806	3.431	50	40	FGGB	
C=C(C)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C(=O)N1	40486381	IKPFYZROWPMKKJ-HZPDHXFCSA-N	356.447	3.042	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(I)cc2)cc1	209605631	ACWMGGOXQOKGPQ-YVLHZVERSA-N	364.186	3.364	50	40	FGGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C)C[C@@H]32)cc1	4453380	RZZPFYJDTQFYDP-AZUAARDMSA-N	357.461	3.165	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)cccc1[N+](=O)[O-]	58871591	OFFJDHWPLXJXNW-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
COc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1OC	810615	VWORYYBFRUREMW-KRWDZBQOSA-N	367.430	3.004	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1N(C)C	409000108	MNVMYYZPXBKFFJ-GXDHUFHOSA-N	366.377	3.215	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CNc2cccc3ccccc23)c1OC	4663531	NSQSPKRVFLFMFO-YDZHTSKRSA-N	363.417	3.419	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)c(C)o1	40140331	HEUXMUBNCZZBSZ-CQSZACIVSA-N	358.438	3.422	50	40	FGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1	5383838	JGDPKAOHIOFGFM-FYJGNVAPSA-N	353.422	3.082	50	40	FGGB	
O=C(N/N=C/c1ccco1)c1cccc(NC(=O)c2ccc(F)cc2)c1	704636	CKOBKMQDSAMSKL-CIAFOILYSA-N	351.337	3.435	50	40	FGGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(C(=O)OC)cc2s1	20132426	RAUDKJTVDGVYJK-MRVPVSSYSA-N	357.229	3.195	50	40	FGGB	
C[C@H](NC(=O)c1ccccc1)C(=O)N/N=C\c1ccc(Cl)cc1Cl	4697573	BACBFTDLQQOQSJ-ASKIBSTCSA-N	364.232	3.262	50	40	FGGB	
C[C@]1(C(=O)N/N=C/c2cccs2)CC1(Br)Br	2750960	INRMTUNZSJJBDM-ACJFOYDFSA-N	366.078	3.094	50	40	FGGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	6853630	XSMBEJSKDNXKCV-YTBHAWNYSA-N	358.438	3.076	50	40	FGGB	
COc1ccc(OC)c(S(=O)(=O)Nc2ccc(SC#N)cc2C)c1	7051456	IVTHAIDPYNDTET-UHFFFAOYSA-N	364.448	3.386	50	40	FGGB	
COC(=O)/C(C#N)=C\c1ccc(OC(=O)c2ccccc2F)c(OC)c1	97986278	QEJLJOQGAWIDOH-LCYFTJDESA-N	355.321	3.133	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C	408934254	BQSXADMRNDSGOV-OOXYOOLHSA-N	368.481	3.076	50	40	FGGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccn1-c1cccc([N+](=O)[O-])c1	409252207	WRYASQLLCBNLHK-BKUYFWCQSA-N	366.352	3.217	50	40	FGGB	
COc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1cccc2ccccc12	408900392	VLRXGMPMXMNHMT-WSDLNYQXSA-N	363.373	3.070	50	40	FGGB	
CC1(C)Oc2ccc(C(=O)N/N=C/c3ccc4ncccc4c3)cc2NC1=O	35291250	GPAQDDDDCCAZLO-FSJBWODESA-N	374.400	3.108	50	40	FGGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	83325284	SCVYTJKSCANPIH-YDDPGSGASA-N	361.785	3.212	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c(O)c1	5568116	KGOYMJIWPWLFOD-FYJGNVAPSA-N	371.437	3.020	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21	100430764	NZZLWEFXQUMWFF-LVWGJNHUSA-N	369.424	3.296	50	40	FGGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)[C@H](Br)C2=O	100749213	PWPFFIVPKSAXRG-DQYPLSBCSA-N	365.271	3.289	50	40	FGGB	
CC(=O)N(/N=C1\Oc2ccc3c(C)cc(=O)oc3c2C1=O)c1ccccc1	1437203	DEEXVZOMZFKVDQ-MRCUWXFGSA-N	362.341	3.043	50	40	FGGB	biogenic
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@H](C)CC)cc2)cc1	12982004	QTXSZXUYZWWXHH-OAHLLOKOSA-N	370.449	3.471	50	40	FGGB	
CCOc1ccc(OC)cc1/C=N/NC(=O)COc1cccc(Cl)c1	2756961	SJALEUYYIBGHDV-RGVLZGJSSA-N	362.813	3.276	50	40	FGGB	
CC(C)Oc1ccc(CCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	2374264	CGTWFVUJEJSJMZ-CIAFOILYSA-N	354.406	3.285	50	40	FGGB	
CCCc1[nH]nc2c1[C@@H](c1ccc(OC(C)C)c(OC)c1)C(C#N)=C(N)O2	4494447	TWQSVPLWZIJUJV-KRWDZBQOSA-N	368.437	3.376	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)c(Br)cc1O	409367516	CUMGBNMEZIWGON-KPKJPENVSA-N	365.227	3.083	50	40	FGGB	
Cc1ccc(O)c(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	3027313	ORVWHLHNMCHDAQ-HZHRSRAPSA-N	360.413	3.087	50	40	FGGB	
C=CCn1c(SCCCl)nnc1-c1cc(OC)c(OC)c(OC)c1	1581250	SMKGCIRXYVBAOZ-UHFFFAOYSA-N	369.874	3.488	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccnc1)[C@H](Br)C2=O	100924388	DDVDWFCVOIQBSE-HFBAOOFYSA-N	351.244	3.179	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1cccc(C)c1O	4361333	NFPSARGJJDJLPL-HYARGMPZSA-N	369.421	3.152	50	40	FGGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1OC	4616860	NRLMEJSVPAUPBH-GXDHUFHOSA-N	367.361	3.466	50	40	FGGB	
CCOCCCNC(=S)NNC(=O)c1sc2ccccc2c1Cl	16185230	FKCIKFMRSLPKSR-UHFFFAOYSA-N	371.915	3.090	50	40	FGGB	
COc1ccc(/C=C/C=N\NC(=O)COc2cccc3cccnc23)cc1	409022381	MHPWXIQAZTVVII-KMQOIOQOSA-N	361.401	3.438	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1Br	6215394	JADQLQFYJJJSLG-QGMBQPNBSA-N	361.195	3.250	50	40	FGGB	
N#CC(C#N)=C(N1CCCCC1)[C@]1(C#N)[C@@H](c2ccccc2)C1(C#N)C#N	35325197	SRSOKKYNHVXFQA-RXVVDRJESA-N	352.401	3.115	50	40	FGGB	
COc1ccc2nc(NNC(=O)c3cc4ccccc4oc3=O)sc2c1	4121396	QKDONZXFAMHHLX-UHFFFAOYSA-N	367.386	3.168	50	40	FGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccc(Cl)cc2)cc1	859860	LBQMSAIJWXJAEW-UHFFFAOYSA-N	360.841	3.478	50	40	FGGB	
C=CCOc1cccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)c1	409325864	BZRQIYAXJTXJEC-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(CC(C)C)c1C	7041343	JMXHAAAPWXIMRK-SRZZPIQSSA-N	351.454	3.481	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccc(F)cc1	33677117	SFXLOMXHBHYJNK-BKUYFWCQSA-N	366.352	3.217	50	40	FGGB	
N#C/C(=C\c1ccc(Br)c([N+](=O)[O-])c1)C(=O)NC1CCCC1	14178448	LPXJESAYXPQJOK-YRNVUSSQSA-N	364.199	3.323	50	40	FGGB	
O=C(N/N=C/c1cc(Br)c(N2CCCC2)o1)c1ccccc1	59302746	SGMTZZBDKJTICX-WOJGMQOQSA-N	362.227	3.406	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	5234643	XTMGKFONWRUGOS-UDWIEESQSA-N	363.377	3.161	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1C	409070668	DMKUHLCCPMCIFR-AWQFTUOYSA-N	360.801	3.427	50	40	FGGB	
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)OCCO2	4502816	FXZZMIWGBWHKBJ-LPYMAVHISA-N	362.385	3.471	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CSCCc2ccccc2)ccc1O	408724845	BQJDLRQEBQJRDC-DEDYPNTBSA-N	358.463	3.217	50	40	FGGB	
C=CCN1C(=O)/C(=C(\C#N)C(=O)Nc2ccccc2OC)c2ccccc21	409388104	KFVGKDQSPBVPLQ-XDJHFCHBSA-N	359.385	3.144	50	40	FGGB	
Cc1ccc(SCC(=O)NNC(=O)c2ccc(Cl)cc2F)cc1	7964453	GUKJODRICIBODV-UHFFFAOYSA-N	352.818	3.341	50	40	FGGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1Cl	408588160	IDADLZGENNFONX-YBFXNURJSA-N	357.753	3.024	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc2c1OCO2	408964190	BSOGCOIBLQFGPE-ODCIPOBUSA-N	366.295	3.207	50	40	FGGB	
O=C(N/N=C/c1cc(Br)ccc1O)c1cccc2cc[nH]c12	2211765	KPKQCKRNYPESMU-DJKKODMXSA-N	358.195	3.400	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(OCC)c1	5953529	LWDAAPPIFYFXMF-DEDYPNTBSA-N	371.393	3.085	50	40	FGGB	
CC(C)c1ccc(S(=O)(=O)c2ccc(NNC=C(C#N)C#N)cc2)cc1	3342868	ISNICXWMIJBEBH-UHFFFAOYSA-N	366.446	3.490	50	40	FGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccc(F)c1	840372	NKVZOVZORZGFMZ-SECBINFHSA-N	371.195	3.361	50	40	FGGB	
O=C(CBr)c1cc(Br)cc(Br)c1O	1102014	WGMNBUNJPSAOOD-UHFFFAOYSA-N	372.838	3.495	50	40	FGGB	
O=C(CCN1CCOCC1)N/N=C/c1c2ccccc2cc2ccccc12	22521158	PLHWFGGATZVHKK-XQNSMLJCSA-N	361.445	3.165	50	40	FGGB	
CCCCc1ccc(OCC(=O)N/N=C/c2cc(OC)ccc2O)cc1	2166528	GPCKVWAHSGHARD-FYJGNVAPSA-N	356.422	3.273	50	40	FGGB	
O=C(O)CC/C(=N\NC(=O)c1ccc(Br)o1)c1ccccc1	6337161	HINGGSQBWAJLDD-GZTJUZNOSA-N	365.183	3.041	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccn1	409244980	LOHRCEJALINZSL-CIAFOILYSA-N	363.377	3.161	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1	408801753	VPGYDWLKWDYWOE-JHCRTCCUSA-N	370.449	3.230	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3)cc2)cn1	3050525	DZHCKFBPQKECDE-YDZHTSKRSA-N	359.385	3.373	50	40	FGGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(N)=O	864557	UMBFXGIOQKQBCC-YVMONPNESA-N	362.139	3.010	50	40	FGGB	
Cc1cc(SCC(=O)N/N=C/c2cccc(O)c2)c2ccccc2n1	871058	AXVGPYGFQYFXAS-RGVLZGJSSA-N	351.431	3.491	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1c[nH]c2ccccc12	17073281	WNNVOUUEGHJBQG-QGZVFWFLSA-N	354.369	3.228	50	40	FGGB	
CC1(C)[C@@]2(C(=O)O)CC[C@]1(CBr)c1nc3ccccc3nc12	8236680	KPQVWAURDKBYOT-IRXDYDNUSA-N	361.239	3.419	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	727763	UGUYBUUEWVXRQK-UHFFFAOYSA-N	354.450	3.441	50	40	FGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc(Cl)cc(Cl)c1O	4699160	XDDQNFTXMGEFBN-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
CC[C@@H]1C[C@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CC(=O)N1	97373148	AUXJHFSFUBAGHK-ZWKOTPCHSA-N	351.450	3.029	50	40	FGGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1C	20086097	VVNNUEAGJFGEDF-GOSISDBHSA-N	357.413	3.374	50	40	FGGB	
COc1cccc(/C=N/NC(=O)COc2ccc3ccccc3c2)c1OC	3167395	IMRBDNKDRZVZOF-LPYMAVHISA-N	364.401	3.386	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1	408788569	LGABIYOKURFYIZ-FOWTUZBSSA-N	350.374	3.174	50	40	FGGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)c1ccccc1C	4904518	GSNRPIDKJCTZNI-ZVHZXABRSA-N	367.493	3.432	50	40	FGGB	
O=C(CCCCC(=O)OC[C@@H](Cl)CCl)OC[C@H](Cl)CCl	104328374	GRFQNAGYTWIYHH-AOOOYVTPSA-N	368.084	3.326	50	40	FGGB	
CCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OC)c(OC)c2)C1=O	16752934	QQHYOUDPSCQJGU-GDNBJRDFSA-N	354.406	3.096	50	40	FGGB	
COc1cccc(C(=O)N/N=C/c2cc(Br)ccc2OC)c1	5720964	RPQVWNOAWURDPQ-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1OCC	60512596	IVEQCPYVKBIZHS-FYJGNVAPSA-N	372.421	3.265	50	40	FGGB	
CN1CCC(=NNC(=O)CSCc2c(Cl)cccc2Cl)CC1	409138992	KVHBKRGDVVCHNN-UHFFFAOYSA-N	360.310	3.424	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCCCC2)o1	33431948	YZLSMTLZGJSPQE-ZHZULCJRSA-N	370.409	3.261	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc3c(c2)OCO3)cc1	32703911	PEJHHOZFBWVPMC-NHDPSOOVSA-N	354.406	3.242	50	40	FGGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@H](Br)[C@H](Br)C2)O1	254876432	XVHYWNFCTTTZAH-SPFKKGSWSA-N	362.489	3.294	50	40	FGGB	
NNC(=O)c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	226340227	CTTUVJYWWHZFQI-UHFFFAOYSA-N	373.609	3.424	50	40	FGGB	
COc1cc(CN(CCCl)CCBr)cc(OC)c1OC	1713599	ZWIFOQNLIYISCG-UHFFFAOYSA-N	366.683	3.148	50	40	FGGB	
C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)[C@@H]1c1ccccc1OC	2158644	OQTMDVYWUHITMD-KRWDZBQOSA-N	356.447	3.483	50	40	FGGB	
O=C(COc1ccccc1Cl)NNC(=O)C12CC3CC(CC(C3)C1)C2	4852627	GCRAQGZQJMPLOT-UHFFFAOYSA-N	362.857	3.083	50	40	FGGB	
COc1ccccc1OCCn1cc(/C=C(\C#N)C(N)=O)c2ccccc21	2314572	IYOWVLABJAFBLH-NTCAYCPXSA-N	361.401	3.121	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C\C=C\c2ccc([N+](=O)[O-])cc2)c1C	13945578	XFZSTGONNGAODW-IVJHNUPUSA-N	353.378	3.406	50	40	FGGB	
COc1cccc(/C=N/NC(N)=O)c1OCCCOc1c(C)cccc1C	4600250	QNGKFAKIZDFKJL-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)o2)cc1	408792400	BBLDNAIDGTWPBP-SDNWHVSQSA-N	353.378	3.068	50	40	FGGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)c1	13343031	YRQBRDPSBAVTRV-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
O=c1[nH]c(CCl)nc2c(Br)cc(Br)cc12	6507953	KPTKKBVDRWHPQU-UHFFFAOYSA-N	352.413	3.187	50	40	FGGB	in-vitro
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(O)c([N+](=O)[O-])c1	408599002	NKWYAGOXPSZLPK-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCCC3)cc2)c1	33803255	MHWBSMHWZVTOLW-JCMHNJIXSA-N	367.449	3.458	50	40	FGGB	
O=C(N/N=C/c1ccccc1Cl)[C@H](O)c1ccc(Br)cc1	3175051	ALZPVAVVEAIRIW-UHPUNMKFSA-N	367.630	3.286	50	40	FGGB	
COc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)cc(Cl)c1O	5526593	GLPYDFXSJLMXMS-DNTJNYDQSA-N	368.220	3.270	50	40	FGGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCSc3ccccc32)cc(C#N)n1C	32339581	LRAQJFCQABTDAH-IKFRKZOMSA-N	362.458	3.465	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc2ccccc2c1	54883593	ZHNWKZKXOKWLDX-XQNSMLJCSA-N	359.429	3.440	50	40	FGGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OC	6853631	XSMBEJSKDNXKCV-ABPVARSCSA-N	358.438	3.076	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3cccc(Cl)c3)CC2=O)cc1C	409256108	JXLKEEHJBCKQPI-CNPYVQQSSA-N	369.852	3.460	50	40	FGGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1)N/N=C\c1cccc([N+](=O)[O-])c1	32704949	BSCKMWPIBPGIDD-ODLFYWEKSA-N	374.784	3.117	50	40	FGGB	
CC(C)(C)C(=O)OC(=O)NCc1ccc(C(=O)NCc2ccccc2)cc1	616580958	GXIYIUMBNGVYBQ-UHFFFAOYSA-N	368.433	3.416	50	40	FGGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cn(CC(N)=O)c3ccccc23)c1	6429868	FSIJGJRDADZUHI-YBEGLDIGSA-N	372.428	3.289	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/C=C/c2cccc([N+](=O)[O-])c2)cc1C	3034417	ALJHCDCCQDHAEE-PHNSAVJNSA-N	353.378	3.406	50	40	FGGB	
O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)c2cccnc2)c1	3033843	PXCNCDGZRWFESK-UXWOPCDISA-N	361.357	3.057	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(F)cc1	59333557	LMXLMBHLYSKJRD-YBEGLDIGSA-N	354.381	3.408	50	40	FGGB	
O=C(NNc1ccccc1[N+](=O)[O-])c1cnn(Cc2ccccc2Cl)c1	12605650	JFRIIUHCRSVTJF-UHFFFAOYSA-N	371.784	3.250	50	40	FGGB	
Cc1ccc(/C=C/C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	6622029	QOXTWNAJVHOYOP-ZHACJKMWSA-N	359.385	3.393	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1	827316	UISOKILKVJNVIF-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
Nc1ccccc1C(=O)N/N=C(/C1=NCc2ccccc2N1)c1ccccc1	102595865	KLAFRQIZUCJOHM-LHLOQNFPSA-N	369.428	3.427	50	40	FGGB	
Cc1cc2c(c(=O)n1C1CC1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2221263	GJRFOVMNBJTEQD-INIZCTEOSA-N	353.809	3.363	50	40	FGGB	
O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)C1CC1	15426961	INCZOYWQQVMNBE-UHFFFAOYSA-N	365.408	3.464	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)ccc1O	13984552	HOYLMLKRPIQFCV-CIAFOILYSA-N	369.421	3.149	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1	59248885	SCJMLECHSLCKNN-VQCBNXJZSA-N	350.374	3.393	50	40	FGGB	
CC(C)=NNC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1	20240396	CIMYANKPWOWAEB-UHFFFAOYSA-N	350.466	3.134	50	40	FGGB	
Oc1ccc(O)c([PH](c2ccccc2)(c2ccccc2)c2ccccc2)c1	104041263	BTOGVZJZBWYKJA-UHFFFAOYSA-N	372.404	3.450	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1OC	2056558	FBTYKMUZBGKCKY-ORTNRGLGSA-N	354.406	3.098	50	40	FGGB	
COc1cccc(/C=N/NC(N)=O)c1OCCCOc1cc(C)cc(C)c1	4616514	BXIAJJPNRCFWKT-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
COC(=O)c1c(C)[nH]c(C2=CS/C(=C(C#N)\C=C3\C=CC=N3)N2)c1C	8709351	LEDRRAXPVGDIFN-PKJNOQEXSA-N	352.419	3.313	50	40	FGGB	
O=C(CCC(=O)c1ccc(F)cc1)NNC(=O)c1cc2c(s1)CCCC2	7698911	BDNKOOJLGINXFZ-UHFFFAOYSA-N	374.437	3.190	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C	408791544	YKVBWDJGLRMIHZ-LFIBNONCSA-N	350.374	3.093	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1cc(C)ccc1C	8733140	UQMUWTYGHKBQSU-CYBMUJFWSA-N	355.276	3.312	50	40	FGGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)NCc1ccc2c(c1)OCO2	59133383	PHUHRXXWKDFYNR-KPKJPENVSA-N	358.756	3.431	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	30817650	GYYRHDORIQVXNU-NVMNQCDNSA-N	363.757	3.116	50	40	FGGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59334456	NWMBEVMGPAZEEC-YBEGLDIGSA-N	351.406	3.096	50	40	FGGB	
Cc1oc(-c2ccccc2)nc1CC(=O)NNC(=O)c1c[nH]c2ccccc12	12815565	SZTLKSYQNUMJBT-UHFFFAOYSA-N	374.400	3.135	50	40	FGGB	
O=C(NN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccncc1	15461502	IULAQRBNNAUPNI-HXUWFJFHSA-N	370.412	3.422	50	40	FGGB	
Cc1ccccc1C(=O)NNC(=O)NCCOc1ccc(C(C)(C)C)cc1	9909703	QQVLIOGAHNETNC-UHFFFAOYSA-N	369.465	3.316	50	40	FGGB	
CCOC(=O)N/N=C\c1cccc(OC(=O)/C=C/c2ccc(OC)cc2)c1	30738613	UZWJNBMHWGJQRH-HGKZOJRLSA-N	368.389	3.394	50	40	FGGB	
C/C(=N\NC(=O)CNC1CCCCC1)c1ccc(Br)cc1	409382217	ZHISIGJGCQJTKV-XDHOZWIPSA-N	352.276	3.212	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)cc(Br)c1O	5380580	ADDBAUNOMJTUCB-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCc2ccco2)cc(OCC)c1O	884851	XGNCMYKXBFEFKL-MHWRWJLKSA-N	352.390	3.336	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(Cl)ccc1C	59435529	KOCRVPBDVDMULY-RGVLZGJSSA-N	359.813	3.136	50	40	FGGB	
Cc1csc(CC(=O)N/N=C/c2cc(Br)ccc2F)n1	7906639	LKIALXJINAJRFU-OMCISZLKSA-N	356.220	3.046	50	40	FGGB	
C/C(=N\NC(=O)Cc1cn2ccsc2n1)c1ccc(OC(F)F)cc1	5070631	PKACROQCFZDODR-KEBDBYFISA-N	364.377	3.080	50	40	FGGB	
O=C(Cc1csc(-c2ccccc2)n1)NNc1ccccc1[N+](=O)[O-]	15504296	LSFOBOYSOGKZHO-UHFFFAOYSA-N	354.391	3.404	50	40	FGGB	
COc1ccccc1NC(=O)C/C(C)=N/NC(=O)CCc1ccccc1	5288162	QNZRQQOMKCTQSW-PXLXIMEGSA-N	353.422	3.149	50	40	FGGB	
CCCn1nc(C(=O)NN(Cc2ccccc2)c2ccccc2)ccc1=O	36767676	SCQNTMQYBFBANO-UHFFFAOYSA-N	362.433	3.005	50	40	FGGB	
CCn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	6948230	RSRFRQZKDCULRQ-UDWIEESQSA-N	350.378	3.262	50	40	FGGB	
CCc1ccc(OCC(=O)NNC(=O)c2ccc(C(F)(F)F)cc2)cc1	2626952	BUQLKFAPHSYUSW-UHFFFAOYSA-N	366.339	3.108	50	40	FGGB	
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1\C(=O)Nc2ccccc21	6130639	BFACCTMUZMSVQW-UHFFFAOYSA-N	371.824	3.280	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1OC	5130216	DZINADJPHGJVTB-HMHKGCENSA-N	359.451	3.120	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(OCCC)cc2)cc1OC	20197906	FHSXEZFZZPQDRQ-PXLXIMEGSA-N	366.417	3.260	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCC)c(OC)c2)cc1	408711694	GLMGOPQCZSHBSL-STZFKDTASA-N	356.422	3.185	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OCC)c2)cc1OC	409334470	LYHVCMAXNUODOJ-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)ccc1O	817557	FZOQLNOSDKKHEI-AWQFTUOYSA-N	372.812	3.164	50	40	FGGB	
CC(=O)Oc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1	5378908	KKKAZIDYKHQACR-VCHYOVAHSA-N	361.195	3.138	50	40	FGGB	
CCc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)c([N+](=O)[O-])c1	1052478	XBQZWCAKNKQWNR-VXLYETTFSA-N	361.785	3.340	50	40	FGGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C\c3cccnc3)[nH]n2)cc1	30742746	PCYNIJHHOOMZPM-HMAPJEAMSA-N	363.421	3.415	50	40	FGGB	
O=C(CCSc1ccc(F)cc1)NNC(=O)c1ccccc1Cl	6402419	NXBZXLXXCPTGST-UHFFFAOYSA-N	352.818	3.423	50	40	FGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc(C(F)(F)F)c1	1057462	MCJJHCBDYSFOHI-CQSZACIVSA-N	352.312	3.350	50	40	FGGB	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)N1CCCC1	12522844	YYRWJCCNJLDXSL-SFQUDFHCSA-N	363.417	3.156	50	40	FGGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCCO2)cc1OC	27018730	XSMBEJSKDNXKCV-NIFLVVHWSA-N	358.438	3.076	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CSCc1ccccc1	5736333	DBCBPCZQLSPFKQ-UHFFFAOYSA-N	364.854	3.043	50	40	FGGB	
COc1ccc2ccc(OC)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c2c1	9704080	IDFVFLWMURRAPQ-SFHVURJKSA-N	362.389	3.107	50	40	FGGB	
C/C(=N\NC(=O)CNc1ccc(Br)cc1)c1ccc(O)cc1	409353666	PGZAITOFFPYBPD-YBFXNURJSA-N	362.227	3.107	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1cc(Br)c(O)cc1O	408718778	IHVAGGMSWGNIES-JENIJJAISA-N	367.243	3.137	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408796922	QJQYZUCPZMLVKT-NTEUORMPSA-N	370.792	3.437	50	40	FGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1ccccc1	72231289	IKWRPYABCLKARI-HYARGMPZSA-N	359.385	3.408	50	40	FGGB	
N#CCn1cc(/C=N\NC(=O)COc2ccccc2Cl)c2ccccc21	34799304	FDDFANPHATZTQU-JJFYIABZSA-N	366.808	3.347	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](CC)Nc2ccc(OC)cc2)cc1	1001450	HMTDBNPYMWMZIW-KNGGAZFVSA-N	355.438	3.435	50	40	FGGB	
O=[P@](NCCCO)(OCc1ccccc1)N(CCCl)CCCl	2041799	NQZNJXCDRIFPDE-JOCHJYFZSA-N	369.229	3.063	50	40	FGGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	6545707	ARDDBALGJBBGJK-CIAFOILYSA-N	370.384	3.406	50	40	FGGB	
CCc1sc(C(=O)NNC(=O)CCC(=O)c2ccc(C)s2)cc1C	12675842	FIRMKZMWBKMHGP-UHFFFAOYSA-N	364.492	3.413	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1	4029223	PXKYUOIXDOETGP-CLOGXEOLSA-N	354.450	3.410	50	40	FGGB	biogenic
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c([N+](=O)[O-])cc1OC	13880715	SRQIROYBFCXZSO-JYRVWZFOSA-N	353.334	3.158	50	40	FGGB	
CCCc1ccc(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)cc1	7380404	RYQJFPQWBOVAIT-UHFFFAOYSA-N	372.446	3.317	50	40	FGGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)Nc1ccc(F)cc1	409047534	MXCYQLLWLLWSER-KPKJPENVSA-N	374.755	3.488	50	40	FGGB	
CCCc1n[nH]c2c1[C@H](c1cccc(OCC)c1OCC)C(C#N)=C(N)O2	32509036	BLVMEMQQWQNGDB-MRXNPFEDSA-N	368.437	3.378	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c([N+](=O)[O-])c2)cc1	34903460	CUIUWWQPWFSRFQ-LCYFTJDESA-N	353.334	3.158	50	40	FGGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)C(N)=O	252507872	WVPMCAYGQCASGV-YVMONPNESA-N	362.139	3.010	50	40	FGGB	
N#CCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	59140159	QXGOYKAZAINJAN-RGVLZGJSSA-N	372.222	3.392	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	5618250	CXVILRHXBDAPDK-XDHOZWIPSA-N	357.366	3.074	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc(Cl)c1O	8182116	CVVMEIXMODXDBR-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)cc1	13582434	LHDZZDUJTBGMKJ-UDWIEESQSA-N	355.419	3.469	50	40	FGGB	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1	84791152	GNBUZFIUFIESIX-DHZHZOJOSA-N	374.397	3.290	50	40	FGGB	
CN(C)C(=S)SS(=O)(=O)c1cccc2c(N(C)C)cccc12	5611278	GHNWRZANBUWSOU-UHFFFAOYSA-N	354.522	3.174	50	40	FGGB	
O=C(NNc1nc2ccc(Cl)cc2s1)c1ccc2c(c1)OCCO2	5025718	UWPITLOJYLSPQY-UHFFFAOYSA-N	361.810	3.478	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(F)c(C)c1	8733241	BXODTLACKOMGBG-GFCCVEGCSA-N	359.239	3.143	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	409227136	PFVPXYQYLQUPPQ-BRYHAGSVSA-N	364.401	3.023	50	40	FGGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1	409332131	GEHCUIKVZIUSAY-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
CCCOc1c(Br)cc(/C=N/NC(=O)C2CC2)cc1OC	3527097	KWSQAYKPPBQIAL-RQZCQDPDSA-N	355.232	3.107	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccc(Br)o1)C(C#N)=C2N	4094878	NFHNSUMCFRIVGO-HNNXBMFYSA-N	363.211	3.493	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C2/CCSc3c(F)cccc32)cc1	84150622	YDNFSBOJFJOYAI-QNGOZBTKSA-N	357.410	3.089	50	40	FGGB	
C[C@]12CC[C@@]3(O)[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@]2(O)C#N	70670226	LKEPHUQNDKLJEI-KAEWXQEJSA-N	373.493	3.062	50	40	FGGB	biogenic
COC(=O)c1c(NC(C)=O)sc(Br)c1CBr	91695794	NNTVHSBGLZAMIV-UHFFFAOYSA-N	371.050	3.151	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1C	12601807	BLBDKAPVBHZHMQ-UHFFFAOYSA-N	365.458	3.431	50	40	FGGB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1C(=O)O	16740898	KRGYKHPTZOUGQV-RGVLZGJSSA-N	360.797	3.346	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C)c(C)c1	8733231	XMSSWXBJBNOJAO-CQSZACIVSA-N	355.276	3.312	50	40	FGGB	
N#CCOc1ccccc1/C=N\NC(=O)c1ccc(Br)cc1	9234436	YDPZWOJWTYHUCY-ODLFYWEKSA-N	358.195	3.115	50	40	FGGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59334509	LACQMUWECDSCJV-YVLHZVERSA-N	351.406	3.096	50	40	FGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)N/N=C/c3cccnc3)cc2)c1	5176725	QQGSLKAFAIOBQI-OEAKJJBVSA-N	358.401	3.406	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)cc(Br)c1O	408800399	OXOLOGDPOVLROZ-HAAVITCDSA-N	367.243	3.375	50	40	FGGB	
COc1cc2c(cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1)OCO2	409247433	HFZMGLMSLVGEAU-TUTDSIAXSA-N	350.374	3.208	50	40	FGGB	
N#CCOc1ccccc1/C=N/NC(=O)CNc1cccc2ccccc12	409392488	PSBJQLUGTGQTOZ-ZVHZXABRSA-N	358.401	3.304	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	5288007	UPESNHVPPUETEJ-JJIBRWJFSA-N	374.440	3.472	50	40	FGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cc(C)n(C(C)C)c2C)n1	8336661	INWSAAGRMRAPFU-DJKKODMXSA-N	359.499	3.335	50	40	FGGB	
O=C(CSSCC(=O)Nc1ccccc1O)Nc1ccccc1O	1675962	XDOAJGHSQVHVIL-UHFFFAOYSA-N	364.448	3.056	50	40	FGGB	
C=CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(N)=O)o2)ccc1Cl	59416967	YKUULTLFMWHXJQ-XYOKQWHBSA-N	356.765	3.335	50	40	FGGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1ccccc1Cl	58911428	RVTXHLYWNREVCH-SRZZPIQSSA-N	374.872	3.112	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccn2)cc1OC	5130157	NNIJETMDBTWCID-CNRHGSOZSA-N	371.462	3.286	50	40	FGGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(O)cc1O	408526664	CYMKRHZCZGBPRO-LSHDLFTRSA-N	367.327	3.069	50	40	FGGB	
CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	408909511	USWJSFVCCSEJAC-VYVDHXHBSA-N	373.840	3.148	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)cc1C	409266424	YQFCKTRFPJEZKT-RSFOSLOZSA-N	369.852	3.460	50	40	FGGB	
CC[C@H](Cl)C1=NC(C)(C)[C@@H](C(C)=O)N1S(=O)(=O)c1ccc(C)cc1	24718465	KXGLWSOHMITUQH-LSDHHAIUSA-N	370.902	3.151	50	40	FGGB	biogenic
Cc1cc2c(c(=O)n1C)[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	20101011	HUFSEKVOIOLNLD-ZDUSSCGKSA-N	362.216	3.219	50	40	FGGB	
C/C(CC(=O)Nc1cccc(Cl)c1)=N\NC(=O)c1cccc(C)c1O	4904279	GUXASRZBVFSCMN-CIAFOILYSA-N	359.813	3.489	50	40	FGGB	
NC(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1	6863365	YQEWRNGBCGFQLO-CAOOACKPSA-N	350.787	3.402	50	40	FGGB	
CCOC(=O)C/C(C)=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	105573826	VLALATSGHYACJC-PQQLAPNWSA-N	361.225	3.206	50	40	FGGB	
N#CCOc1ccccc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408964947	IUXNDZISBMCCSX-RGVLZGJSSA-N	364.317	3.007	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCC#N	408976875	GWJODZBJXUMSIR-MHWRWJLKSA-N	350.378	3.048	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Br)c1O	3574802	OYRFZBHQJFKRJQ-LZYBPNLTSA-N	359.220	3.412	50	40	FGGB	
O=C(NNC(=S)NCc1ccccc1)c1csc(-c2ccccc2)n1	15667124	ZAJSFUVLXPRHKH-UHFFFAOYSA-N	368.487	3.119	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1CC	15423189	DEUSHJJTMKVAGI-CYBMUJFWSA-N	355.276	3.257	50	40	FGGB	
NNC(=O)/C=C/c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1	226365549	HANRLEAQDVSVFK-VOTSOKGWSA-N	351.189	3.216	50	40	FGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1	100923054	UTPDXXSCWANKDC-LPYMAVHISA-N	373.840	3.412	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)cc(Cl)c1O	6510193	XNTXLYMLQLUBMV-KEBDBYFISA-N	350.777	3.276	50	40	FGGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(N)cc1	4750863	BAZDIXDBVWUKBZ-LFVJCYFKSA-N	359.429	3.045	50	40	FGGB	
C[C@@H](Cl)C(=O)Nc1cc(Br)c(O)c(Br)c1	96029391	HHRCVJIZQNWZJX-SCSAIBSYSA-N	357.429	3.483	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@H](O)c1ccccc1	1105234	GWPLMOHHPFOWDU-BAOGCXAUSA-N	365.345	3.039	50	40	FGGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCC(=O)O)cc1	5379919	HMFLPGOXHLFVAA-CIAFOILYSA-N	354.406	3.211	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccn1)[C@@H](Br)C2=O	27026882	COXDGJRANVSIPH-XZJROXQQSA-N	351.244	3.179	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(C)=O)c(OC)c2)cc1	6822243	GDCPMLYYQPOJEA-GDNBJRDFSA-N	366.373	3.175	50	40	FGGB	
CN1/C(=C(\C#N)C(=O)COC(=O)c2cccc(O)c2)Sc2ccccc21	6984601	LGQAPRXMWNZUQJ-JXAWBTAJSA-N	366.398	3.095	50	40	FGGB	
CC1=C[C@@H](Br)[C@@H]2C[C@]1(C)CN2S(=O)(=O)c1ccccc1	101137637	IGIUNICLDOIAAT-QLFBSQMISA-N	356.285	3.179	50	40	FGGB	
O=C(CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OC(=O)c1ccccc1	105746413	MOUMOVYUIBOBDB-UHFFFAOYSA-N	373.321	3.079	50	40	FGGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(OC)c(OC)c2)C1=O	16806506	YANOVYLMXJXEND-WJDWOHSUSA-N	368.433	3.486	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	5481021	OQKCXMRPYQUYHN-UHFFFAOYSA-N	373.412	3.387	50	40	FGGB	
CC(C)OC(=O)CSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1	9109187	HXZFGCDXLXMQNJ-GFCCVEGCSA-N	364.854	3.363	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1	33572753	LTCRSCOHWDITKS-AFEJBFOUSA-N	370.449	3.086	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1O	96714110	XNTXLYMLQLUBMV-JMIUGGIZSA-N	350.777	3.276	50	40	FGGB	
O=C(CCN1CCN(c2ccccc2)CC1)N/N=C/c1cccc(Cl)c1	3359674	PDVIVGGWEKVPBX-CJLVFECKSA-N	370.884	3.002	50	40	FGGB	
COC(=O)/C(C#N)=C1\S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	13596484	RGQVWULTOMPUAG-DOMQTXCISA-N	364.426	3.286	50	40	FGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1Cl	59249822	RJDKJKLZVYIQAK-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
N#C/C(=C\c1ccc(Sc2ncccn2)o1)C(=O)NCc1ccccc1	409097130	LMNDCQZCSFZWCO-RVDMUPIBSA-N	362.414	3.444	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1	3233269	DSXCVIAZHPMYEC-BRFSQIRFSA-N	364.401	3.023	50	40	FGGB	aggregator
O=C/C(=C\Nc1ccc2[nH]c(=O)[nH]c2c1)c1nc2cc(Cl)ccc2o1	15930248	YYUJKWBAFPTPJZ-VQHVLOKHSA-N	354.753	3.303	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2)N2C(=N1)SC(C#N)=C2N	408604342	IFDHUSMCJJACFV-INIZCTEOSA-N	368.462	3.415	50	40	FGGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1O)c1nn(-c2ccccc2)c(N)c1C#N	408721576	UTRCRIOECXZLAZ-MDWZMJQESA-N	372.344	3.004	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@H](c2cccs2)N2C(=N1)SC(C#N)=C2N	408608268	VSLJYCVOFXNZRO-AWEZNQCLSA-N	374.491	3.476	50	40	FGGB	
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1c[nH]c2ccccc12	865394	XSNMUWNIRBJADC-UFFVCSGVSA-N	366.377	3.222	50	40	FGGB	
O=C(NN=Cc1coc2ccccc2c1=O)c1cc(Cl)nc(Cl)c1	255004280	XJSXDVXCEMAWDE-UHFFFAOYSA-N	362.172	3.259	50	40	FGGB	
CCCC(=O)Oc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1	783652	NITGLXPUEVJSAN-SFHVURJKSA-N	352.390	3.207	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1	33334581	SCTXZDBQAHCTIR-LPYMAVHISA-N	363.373	3.282	50	40	FGGB	
O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cc(Br)ccc1O	11566032	PSXNQZDYMPAGMU-KEBDBYFISA-N	372.222	3.329	50	40	FGGB	
Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)c(C)c2)cc1	17040990	MFTYPHXONANKNP-UHFFFAOYSA-N	372.432	3.498	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1	5013919	QWHNPQQKKZJBSC-ZROIWOOFSA-N	368.389	3.267	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OCC	408599416	ULVCJJYXHFXNRZ-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(OC)cc1)c1ccccc1	408980698	SJLLEIGWXZXKGD-SXZORUHJSA-N	369.421	3.023	50	40	FGGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccccc1	409197611	KDKMGRPQVADJDO-QBDXXSMVSA-N	369.465	3.122	50	40	FGGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1cccc(Cl)c1	408864795	ZIIKQYRSAGSYBR-NTUHNPAUSA-N	356.765	3.349	50	40	FGGB	
CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CSCc1ccc(Cl)cc1	408720339	ZGTNYDWAQIIVIH-CVALACBASA-N	368.886	3.409	50	40	FGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br	408819904	YZIWCCXMJRBSIX-PQTFEYQYSA-N	367.243	3.288	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1Br	36166459	GTTBMKZKHBJKRJ-GIJQJNRQSA-N	351.175	3.361	50	40	FGGB	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c1O	223174707	WPPWYZGUKVLBFT-PTNGSMBKSA-N	366.373	3.123	50	40	FGGB	
O=C(N/N=C/c1ccccc1C(=O)O)Nc1cc(Cl)nc(Cl)c1	2154337	YENAPSXTOUHRGL-REZTVBANSA-N	353.165	3.242	50	40	FGGB	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)N[C@H]1CCCc2ccccc21	33880891	NBSZFRCAGPEMML-LVSKKATPSA-N	360.413	3.331	50	40	FGGB	
C[C@H](Sc1ccc2ccccc2n1)C(=O)NNC(=O)c1ccccc1	20026624	WQGDMIFSOFJHKO-ZDUSSCGKSA-N	351.431	3.177	50	40	FGGB	
C[C@H]1CC(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccccc2C(F)(F)F)O1	1073725	SGXISDZONFGUIN-ISVAXAHUSA-N	350.296	3.103	50	40	FGGB	
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1ccco1	3023416	JJZGPVSMORZACZ-CAOOACKPSA-N	351.200	3.188	50	40	FGGB	
COc1cccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1O	3140336	DXDICWHLWHCTBF-CIAFOILYSA-N	356.422	3.227	50	40	FGGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(N)=S	408541569	CBLXIYJHOCESCJ-YRNVUSSQSA-N	370.346	3.488	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2OC)cc1	97990728	UYEVMCNGUCADLS-ZROIWOOFSA-N	368.389	3.267	50	40	FGGB	
C[C@]12CC[C@@]3(O)[C@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@]2(O)C#N	70670225	LKEPHUQNDKLJEI-LQQQPERYSA-N	373.493	3.062	50	40	FGGB	biogenic
COc1cccc(/C=C(/C(=O)NNC(=O)c2ccco2)c2ccccc2)c1	48235216	IOCCFQYGBZTMLF-NBVRZTHBSA-N	362.385	3.290	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(CC(N)=O)c3ccccc23)cc1C	863558	YJQJWTSNHOPSMS-MHWRWJLKSA-N	372.428	3.289	50	40	FGGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2cc(F)c(F)cc2Cl)c1	2628413	ALPUXXXSISECMP-UHFFFAOYSA-N	368.767	3.075	50	40	FGGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1cccnc1)C(C#N)=C(N)O2	809414	HXPQYHOOPMSIGW-QGZVFWFLSA-N	363.808	3.447	50	40	FGGB	
O=C(NNC(=O)c1csc2ccccc12)c1cc(Br)c[nH]1	12687617	CLLSADRJCXFIMW-UHFFFAOYSA-N	364.224	3.067	50	40	FGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CC2(C)SCCS2)c(O)c1	408588664	JFXGOBSRSZJABS-LICLKQGHSA-N	354.497	3.216	50	40	FGGB	
Cc1ccc(OCC(=O)NN=C(C2CC2)C2CC2)c(Br)c1	4526147	YAFRJPOREJKQAY-UHFFFAOYSA-N	351.244	3.429	50	40	FGGB	
CCc1ccc(C(=O)NNC(=O)Cc2coc3cc(OC)ccc23)cc1	6790799	NDIPUWQGHUIJFZ-UHFFFAOYSA-N	352.390	3.008	50	40	FGGB	
CN(C)c1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1	9090067	HUVQICHWHIPMSJ-QGZVFWFLSA-N	350.447	3.053	50	40	FGGB	
COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)=O	19827372	DTTSXAFROPMBQR-LJQANCHMSA-N	352.390	3.112	50	40	FGGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	2502643	CTHYWTBHODRCFT-FQEVSTJZSA-N	362.385	3.021	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1cccc(Cl)c1	409127419	PVNNLFMZVWUGAP-CIAFOILYSA-N	361.804	3.080	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c(OC)c1	408867358	IJBUEKTZDAQZQW-OQLLNIDSSA-N	361.401	3.408	50	40	FGGB	
C/C(Cn1nnc2ccccc21)=N\NC(=O)c1cc(F)c(F)cc1Cl	12362434	MCJCGGHDPWWSPA-AWQFTUOYSA-N	363.755	3.169	50	40	FGGB	
O=C(NNC(=O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1Cl	840350	BUZIFEVXSAVMAF-UHFFFAOYSA-N	369.764	3.476	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc(C)c1Cl	3103906	CMXFPVSDGNXTCB-UHFFFAOYSA-N	367.232	3.450	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C)cc1OC	2697898	CNVMNTNOCMWYHA-QGZVFWFLSA-N	372.421	3.127	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1c(C)n(C)c2ccccc12	59303453	JOEVGRPXRZMDMN-CIAFOILYSA-N	351.406	3.024	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cnn(Cc3ccccc3)c2)c1	27121670	IEONCBWVQHFLRC-VCHYOVAHSA-N	358.401	3.486	50	40	FGGB	
CCOC(=O)NNC(=O)c1cc2c(C)nn(Cc3ccc(C)cc3)c2s1	21770351	XYUBURHGRVWPGX-UHFFFAOYSA-N	372.450	3.154	50	40	FGGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	35785828	DTVUTHKINIUPJN-BKUYFWCQSA-N	372.421	3.265	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1	409007858	ZWZIGYZEKRZTQR-OEAKJJBVSA-N	367.424	3.137	50	40	FGGB	
CC(C)Oc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1	13655966	BPERMVGYJFBUPW-UHFFFAOYSA-N	371.506	3.102	50	40	FGGB	
CCC[C@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	804120	GCROYISKKGFJPF-UXHICEINSA-N	357.461	3.245	50	40	FGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Br)s1	695263	OCWVJAWRUARFHI-OVCLIPMQSA-N	368.212	3.112	50	40	FGGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1cccc(Cl)c1	100289136	JCLNUDHWIBMVLI-CIAFOILYSA-N	359.813	3.483	50	40	FGGB	
O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1O	5171973	MPUAZLMAYIBZJI-UHFFFAOYSA-N	362.385	3.046	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2cccc(C)c2C)cc(Cl)c1O	6217563	JKDNLGSEZILCET-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
COc1ccc(-c2nc(Nc3ccc(C(=O)NN)cc3)sc2C)cc1	4183337	KHMDLSODVFLQGB-UHFFFAOYSA-N	354.435	3.474	50	40	FGGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	101332313	UCZZVJWWJZJHQZ-NTEUORMPSA-N	363.329	3.077	50	40	FGGB	
Cc1ccc(C)c(-n2ncc3c(NNC(=O)C4CCCCC4)ncnc32)c1	22628135	QNQLQKBPARXKJQ-UHFFFAOYSA-N	364.453	3.456	50	40	FGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN2CCCCC2)c1C	28216569	TXYXJSAORQIEPG-HYARGMPZSA-N	352.482	3.339	50	40	FGGB	
CNc1nc(C/C(C)=N/NC(=O)CC23CC4CC(CC(C4)C2)C3)ns1	15149378	NVJXRRHXUJJLOB-SRZZPIQSSA-N	361.515	3.221	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1	408859759	ZKTHSAZRLYMXGN-CIAFOILYSA-N	351.406	3.024	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)NC(C)C)o1	1106089	IBMFIEFDDZKNEN-XYOKQWHBSA-N	355.350	3.295	50	40	FGGB	
CC(C)OC(=O)C1=C2c3ncccc3ON2[C@@H](Cl)[C@H](Cl)[C@@H]1Cl	4235755	AZMWZRYVVDPMLS-GIPNMCIBSA-N	363.628	3.147	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c2cccnc2c1O)c1cccc(Cl)c1	59459111	OHCODYLGSWOPDI-AWQFTUOYSA-N	370.752	3.266	50	40	FGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1	408599372	TXJHEUVYNWAYHK-LPYMAVHISA-N	368.433	3.300	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc([N+](=O)[O-])c1O	211477258	ICWFRCLTTGQARJ-AUWJEWJLSA-N	367.361	3.472	50	40	FGGB	
O=C(N/N=C/c1cccc(I)c1)c1ccccc1	820571	VARBINNLBGCJOV-MHWRWJLKSA-N	350.159	3.055	50	40	FGGB	
CC(C)=NNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1	19948326	PJUOTQDLBUMJFM-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	5370469	GZYLRCDBEQKCCV-SGEFVQMOSA-N	359.407	3.072	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	7928884	AJMXLJHUUQJNIW-NSHDSACASA-N	360.753	3.207	50	40	FGGB	
N#C/C(=C\c1ccc(I)o1)C(=O)NC1CCCCC1	1087358	KEFTZOJETQVYAG-CSKARUKUSA-N	370.190	3.240	50	40	FGGB	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCl)cc1	5579395	SQMCHCKIKVPADK-UHFFFAOYSA-N	352.843	3.282	50	40	FGGB	
CC/C(=N\NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1	6377893	INQAHCNKLULUPD-XDJHFCHBSA-N	357.366	3.156	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	4994047	CGLINULGZKCVNP-CPNJWEJPSA-N	351.450	3.462	50	40	FGGB	
COc1ccc(C2=NN(C(=O)CCl)[C@@H](c3nc4ccccc4[nH]3)C2)cc1	4595242	VTDMXPZYBNCBTQ-QGZVFWFLSA-N	368.824	3.488	50	40	FGGB	
CCc1ccc2c(c1)/C(=N\NC(=O)c1cccc(Br)c1)C(=O)N2	59472592	DDFGJEMNPXMVHX-UHFFFAOYSA-N	372.222	3.098	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@H](c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O	409149127	XVFCCCOTSRFUFZ-IBGZPJMESA-N	365.477	3.378	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1	408864694	ZEIRMUDMEVVNIC-LPYMAVHISA-N	368.433	3.479	50	40	FGGB	
Cc1cccc(NC(=S)NNC(=O)c2ccc(Br)cc2)c1	5798972	YHCXFISAGNWQRB-UHFFFAOYSA-N	364.268	3.389	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC	408766772	GEGKDJVFIZNMMC-FBHDLOMBSA-N	352.312	3.487	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)Cn2ccc3ccccc32)cc1OC	199417807	DPZLRLYAJQVDOP-STZFKDTASA-N	351.406	3.199	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(Br)c1	110214660	QFWXZPGJWGXJLV-YVLHZVERSA-N	362.183	3.050	50	40	FGGB	
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)Cc1cccs1	100059566	PKOUPGRZCBNTCY-WSDLNYQXSA-N	373.522	3.114	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2ccc(OCc3c(C)noc3C)cc2)n1	22324371	HNBLTFNKHYPKII-UHFFFAOYSA-N	367.409	3.034	50	40	FGGB	
CC1=C(C)/C(=N\S(=O)(=O)c2ccc(C)cc2)[C@H](Cl)[C@@H](Cl)C1=O	103974591	XQLJRXBBFNZCLA-CRRCBQERSA-N	360.262	3.259	50	40	FGGB	
O=C(c1ccccc1)N1C[C@@H]2C[C@H](Br)[C@@H]1[C@@H]2Br	100018199	DKFDXPLRTDNFPL-NNYUYHANSA-N	359.061	3.058	50	40	FGGB	
C/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1cc2ccccc2o1	6312264	ZZXHFNFEMKTKHJ-KEBDBYFISA-N	350.300	3.189	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)[nH]n1	4663861	GBSSYSRMHFGQFK-QGMBQPNBSA-N	373.756	3.304	50	40	FGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccccc1Cl	408907354	MJIRLRKQEDSVBE-RSZPVBOMSA-N	373.840	3.148	50	40	FGGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(Cl)c3)CC2=O)cc1	409254397	ZBEPMSQJRMCVLS-BDQMVGTNSA-N	369.852	3.406	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OC	8082331	PQFMOSYHBPWQMS-KGENOOAVSA-N	354.406	3.423	50	40	FGGB	
COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)Cc1ccccc1	100544236	CEPQMCSLWKYXAO-LPYMAVHISA-N	373.840	3.412	50	40	FGGB	
CCN(NC(=O)c1nn(-c2ccccc2)cc1OC)c1ccc(C)cc1	11355351	LMKCUVVUMRVWRF-UHFFFAOYSA-N	350.422	3.361	50	40	FGGB	
CCn1cnnc1S[C@@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	105268223	KCAKNVNLPLOPJW-NVRAKJRWSA-N	357.464	3.301	50	40	FGGB	
Cc1c(Cl)ccc(OCC(=O)NNC(=O)CCc2ccccc2)c1C	1926743	VHHNIOURRDRCAO-UHFFFAOYSA-N	360.841	3.116	50	40	FGGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1cccc([N+](=O)[O-])c1	27489838	DRSDUQQGTNLOTP-WQRHYEAKSA-N	353.338	3.040	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1O	33649378	YJUGKZSDJOTQHQ-GIJQJNRQSA-N	371.374	3.288	50	40	FGGB	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNC(=O)c1ccccc1F	40140316	FORCPEOYCCDPBY-CYBMUJFWSA-N	358.413	3.352	50	40	FGGB	
O=C(/C=C/c1cccc2ccccc12)NNC(=O)c1ccccc1[N+](=O)[O-]	4689829	QCNVWUGVGOCPGL-OUKQBFOZSA-N	361.357	3.222	50	40	FGGB	
CCN1C(=O)/C(=N/NC(=O)c2ccc3ccccc3c2O)c2ccccc21	12411998	DQOKNHUSBQJENI-RELWKKBWSA-N	359.385	3.046	50	40	FGGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59334973	GQNRQSLODGSHGM-LCYFTJDESA-N	350.260	3.290	50	40	FGGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	59333494	BPHQHWIKCJQKAY-WJDWOHSUSA-N	351.362	3.169	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)cc1	4599664	KMYJYRIYKMRULU-FPQGOQEYSA-N	355.825	3.152	50	40	FGGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)[C@H]1COc3ccccc3O1)C(O)=N2	6684343	CULIKWQTEYVYEK-QGZVFWFLSA-N	365.389	3.072	50	40	FGGB	
C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCC	8846176	QFMSYTWRNOUVNL-FQEVSTJZSA-N	363.417	3.450	50	40	FGGB	
O=[N+]([O-])c1cccc([C@@H](O)P(=O)(OCCCl)OCCCl)c1	1676181	MYEUZBJSSUKJQF-NSHDSACASA-N	358.114	3.290	50	40	FGGB	
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)N/N=C/c1ccc[nH]1	1794729	QRAAKEYVUCHRPE-DJKKODMXSA-N	353.209	3.191	50	40	FGGB	
CCOc1ccc2[nH]c(C(=O)N/N=C/c3cccc(OC)c3OC)cc2c1	2202503	WVWJNVWFXRRIML-CIAFOILYSA-N	367.405	3.348	50	40	FGGB	
CCN(C[C@@H]1CCCCN1C(=O)CCl)C(=O)OCc1ccccc1	79411942	WLUAMLZTUKLTPF-INIZCTEOSA-N	352.862	3.265	50	40	FGGB	
COC(=O)c1cccc2[nH]cc(/C=C(\C#N)C(=O)NCc3ccccc3)c12	44890257	JSNXOKJQVIOHSW-XNTDXEJSSA-N	359.385	3.178	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1[N+](=O)[O-]	5618280	XAZWHVYWRZPLAP-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	5740972	QTLGONNHVZEWJV-RGVLZGJSSA-N	350.334	3.201	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OCC)cc1OC	6355782	YOGBVEMWGKVLOG-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CCCl)[C@H]1O5	1562691	OHOGXXYPAHXKHY-PNHOKKKMSA-N	359.853	3.034	50	40	FGGB	
COc1cc2c(cc1C[C@@H](Br)CBr)OCO2	2048747	CKVGYWZCDAKVHC-MRVPVSSYSA-N	352.022	3.125	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2c[nH]c3ccccc23)c(O)c1	2742404	FNNXXAOURLCQFZ-WSDLNYQXSA-N	350.422	3.484	50	40	FGGB	
CN(C)c1ccc(/C=N/CC(=O)/C(C#N)=C2/Nc3ccccc3N2C)cc1	3186754	XIXWRIRBLVCYJO-MURAWLDLSA-N	359.433	3.038	50	40	FGGB	
Cc1ccccc1C(=O)NNC(=O)CCC(=O)Nc1cccc(Cl)c1C	2132106	SEJKSPOOICXSOL-UHFFFAOYSA-N	373.840	3.137	50	40	FGGB	
O=C(CNc1ccccc1F)N/N=C/c1ccc(Br)cc1	3225801	XPJQFSYAFMHOOM-DJKKODMXSA-N	350.191	3.150	50	40	FGGB	
N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)Nc1cccc(C(=O)O)c1	408541812	HUNGXKPSODLQAD-QINSGFPZSA-N	373.368	3.427	50	40	FGGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(N3CCOCC3)cc2)s1	5118829	RSHFMWBYIVRKAF-NTCAYCPXSA-N	353.447	3.439	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc(Cl)cc(Cl)c2O)c(OC)c1	4705055	DTZRRIARIWZRDZ-UFWORHAWSA-N	369.204	3.480	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(OC)cc1O	409392840	SJUNJQWYSJXPHG-OEAKJJBVSA-N	374.396	3.330	50	40	FGGB	
O=C(CCCC[C@@H]1CCSS1)Nc1nc2c(s1)C(=O)NCCC2	96124409	DJTJPVMVDPMVGP-SNVBAGLBSA-N	371.553	3.472	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1	8083941	NNGDAOQSASBXSZ-QMFLXTPQSA-N	363.461	3.369	50	40	FGGB	
Cc1cccc(C)c1OC1CCN(C(=O)NNC(=O)c2ccoc2C)CC1	56381626	XUBQNBHAEINFRG-UHFFFAOYSA-N	371.437	3.103	50	40	FGGB	
COc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)cc1OC	8165078	KSGLCHPFGFHCIW-UHFFFAOYSA-N	365.389	3.324	50	40	FGGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(OC)cc1	408992347	AKJPRCGMVCMVRV-DEDYPNTBSA-N	370.409	3.214	50	40	FGGB	
COc1ccc2c(CC(=O)NNC(=S)Nc3ccccc3)coc2c1	25400652	HJGPLSXZJUPUMP-UHFFFAOYSA-N	355.419	3.002	50	40	FGGB	
Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	5446373	YZDWTDRGUCFKKW-OAHLLOKOSA-N	351.797	3.446	50	40	FGGB	
N#C/C(=C\[C@@H]1C[C@H](Br)CC[C@@H]1O)C1CCC([N+](=O)[O-])CC1	5328134	SXOQXIKFVOWXTB-WYLZMOBBSA-N	357.248	3.196	50	40	FGGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1	4520380	JFWMIGMRRWDSGA-BOPFTXTBSA-N	351.358	3.434	50	40	FGGB	
COc1ccc(C(=O)NNc2nc3ccc(OC)cc3s2)c(OC)c1	4121390	YHIJHTPAHCCWFH-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1	408795322	LMXAOJZQKUTQDU-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
CC(C)c1[nH]nc2c1[C@@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2	8382706	ZPJBHWSGHFDVPF-ZDUSSCGKSA-N	358.785	3.133	50	40	FGGB	
C/C(=N\NC(=O)c1c(Br)c(C)nn1C)c1cc(C)sc1C	17075691	BAWGNXDCGJLLPP-LZYBPNLTSA-N	369.288	3.323	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)NC1CCCCC1	66255739	LUTYLVMVZUVLQY-VBKFSLOCSA-N	357.429	3.018	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSCCc2ccccc2)c1OC	408728064	VFFGEKSXTHHOKG-DEDYPNTBSA-N	358.463	3.130	50	40	FGGB	
CCCc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1cnn(-c2ccccc2)c1C	1073665	MJDLNOXQQLEKPB-QGZVFWFLSA-N	360.421	3.373	50	40	FGGB	
COc1ccc(C(=O)NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	6628131	NTPPAXMUAPPEDZ-CQSZACIVSA-N	364.401	3.077	50	40	FGGB	
Cc1ccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)cc1	8733090	ACSRITMGVCWBTK-CQSZACIVSA-N	355.276	3.249	50	40	FGGB	
Cc1ccc(OCC(=O)NN=Cc2ccc(Br)o2)c(C)c1	245241543	IPAVRRLBCGNGHM-UHFFFAOYSA-N	351.200	3.188	50	40	FGGB	
O=C(CCl)N[C@@H](CC(=O)Oc1ccccc1)c1ccc(F)cc1F	1615055970	VOGYPEHFYBEQGQ-HNNXBMFYSA-N	353.752	3.357	50	40	FGGB	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)C/C(=N/NC(N)=O)c1ccccc1	13405977	SQVJKDBXGKCJLD-VKJOSGAASA-N	359.470	3.453	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)cc1	208024232	JJZGRSQJJYHXES-WJDWOHSUSA-N	364.357	3.107	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccnc1)[C@H](Br)C2=O	6859204	DDVDWFCVOIQBSE-LYRGGWFBSA-N	351.244	3.179	50	40	FGGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc(OC)c1O	100372933	LRJDBIUQYINWOT-ACAGNQJTSA-N	374.400	3.418	50	40	FGGB	
COc1cc(/C=C(\NC(=O)c2ccccc2)C(O)=C(C#N)C#N)ccc1O	104240782	WLTWCTXIZQLCBO-SXGWCWSVSA-N	361.357	3.031	50	40	FGGB	
O=C(NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccccc1	3140373	RWSIADUNNZHCMZ-HXUWFJFHSA-N	356.425	3.454	50	40	FGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@H]1c1ccc(SC)cc1	2259109	GTBROTLCZOAFTK-CQSZACIVSA-N	364.854	3.272	50	40	FGGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(Br)o1	206172666	LLKKYJWXWSPBMB-APSNUPSMSA-N	357.591	3.225	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2cccnc2Nc2cccc(F)c2)c(C)o1	44876374	ZJWSHVROZGQARR-UHFFFAOYSA-N	368.368	3.249	50	40	FGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CCn1nc(C)cc1C	5926118	LQGYMEYXAVQJTJ-FYJGNVAPSA-N	350.422	3.202	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cccc(NC(C)=O)c1	6439731	CRNHKIZFERLOOP-RGVLZGJSSA-N	359.813	3.461	50	40	FGGB	
NNC(=O)/C=C/c1ccc(OCc2cccc(F)c2)c(Br)c1	226333442	HZAXHWYPHQWYKR-FNORWQNLSA-N	365.202	3.170	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c2C)c(C)c1	58911415	UCZRNKZEEQKLIV-WSDLNYQXSA-N	368.481	3.076	50	40	FGGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccncc1	408719982	QTXBFHPRKKLLHK-GIJQJNRQSA-N	364.268	3.228	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)O	4723448	UOGNEBFJGKVWPP-OQLLNIDSSA-N	366.373	3.013	50	40	FGGB	
N#CC1=C(SCc2cccc([N+](=O)[O-])c2)NC(=O)C[C@H]1c1ccco1	409135233	XSGAFHPQMPMGCE-CYBMUJFWSA-N	355.375	3.460	50	40	FGGB	
COCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C	78232674	ZNTWNPLDMHWNBH-QNGOZBTKSA-N	365.477	3.407	50	40	FGGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@@H](Br)[C@H](Br)C2)O1	254876431	XVHYWNFCTTTZAH-IGORNWKESA-N	362.489	3.294	50	40	FGGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(N2CCCCC2)cc1	6210441	WYPABEAJJHSWQJ-PXLXIMEGSA-N	361.449	3.397	50	40	FGGB	
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(Cl)cc1Cl	59463259	LQXTXKMSDTXUIZ-IFRROFPPSA-N	366.204	3.284	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CN2CCCC2)c(C)n1-c1ccc(Cl)cc1	4091492	FOWNCUBMWRYUJR-CIAFOILYSA-N	358.873	3.293	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)[C@H](C)Oc2ccccc2)cc(OC)c1O	13940355	RKCINTCAFMKTNK-HADWXUJASA-N	354.406	3.047	50	40	FGGB	
COc1ccc(CC(=O)NNc2ccccc2C(F)(F)F)cc1OC	6652996	OAPGQZGZWYNOIC-UHFFFAOYSA-N	354.328	3.408	50	40	FGGB	
CCCOc1ccc(CCC(=O)NNC(=S)Nc2ccccc2)cc1	4902180	OSNWWQZADYIGFS-UHFFFAOYSA-N	357.479	3.426	50	40	FGGB	
Cc1ccc(-c2ccsc2C(=O)NNS(=O)(=O)c2ccccc2)cc1	7727780	JTFPSRYYDBTENY-UHFFFAOYSA-N	372.471	3.347	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(OC)c2)c1	33792553	QRMWLQKSWIFQBG-GDNBJRDFSA-N	363.373	3.152	50	40	FGGB	
O=C(NNc1nc2c(F)cccc2s1)c1cc(=O)c2ccccc2o1	4121340	CYHQLWNMDRQAIK-UHFFFAOYSA-N	355.350	3.299	50	40	FGGB	
C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1O	687092	JPCVXYAPWTZNLO-HPAYWCODSA-N	362.227	3.105	50	40	FGGB	
CC(C)COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	108901438	JFHWQBQWBGERCY-NDENLUEZSA-N	355.394	3.322	50	40	FGGB	
O=C(NNC(=S)Nc1ccc(F)cc1)c1ccccc1Br	1410844	MWRGFJVUGPUCBD-UHFFFAOYSA-N	368.231	3.220	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)cc1	36167293	VWNKLHLXYYWRML-LCYFTJDESA-N	353.334	3.245	50	40	FGGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc([N+](=O)[O-])o1	3212248	DQNZAFSJCIKJQS-UDWIEESQSA-N	365.345	3.384	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2cc(Br)ccc2Cl)n1	11333977	HGDFZSLFHRFLMD-UHFFFAOYSA-N	355.623	3.266	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(OCC)cc2)CC(=O)N1	9088660	OATJYIICNPERRX-OAHLLOKOSA-N	374.462	3.110	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC	409137603	WEGAFMITCGCKQV-LJQANCHMSA-N	367.449	3.214	50	40	FGGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(Cl)cc1Cl	822578	AMWGYEDYLWFGMU-VXLYETTFSA-N	356.253	3.283	50	40	FGGB	
C[C](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1	1560410702	GOQYNQKKQAEMHY-UHFFFAOYSA-N	355.215	3.467	50	40	FGGB	
Cc1cccc(/C=N/NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)n1	5603001	OHGYRTATXGDQRX-LPYMAVHISA-N	370.884	3.406	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cccc(Br)c2)c1	6685684	WPANDLDBEMJIPS-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl	7782346	CYNFEQVCDFLDOK-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1cccs1	2745251	JTCNSMAUPDYRCF-GIDUJCDVSA-N	353.197	3.003	50	40	FGGB	
O=C(CC(=O)NC1CCCCC1)N/N=C\c1cccc(Cl)c1Cl	59444511	WXGGRVPXKNNPSX-GRSHGNNSSA-N	356.253	3.283	50	40	FGGB	
CN(C)C(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	59333880	QKUOKDDHCITFQH-YBEGLDIGSA-N	351.362	3.169	50	40	FGGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccc1C(=O)O	20246275	HMAJGXUCDATMKD-DJKKODMXSA-N	362.838	3.422	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O	409149128	XVFCCCOTSRFUFZ-LJQANCHMSA-N	365.477	3.378	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)N2C(=N1)SC(C#N)=C2N	408606856	RNWNWMJLCTXWCN-OAHLLOKOSA-N	372.425	3.162	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1	6386909	GDRSWHUSHYICFF-KGENOOAVSA-N	355.438	3.314	50	40	FGGB	
CCCCOc1ccccc1-c1cc(C(=O)N/N=C\c2cccnc2)[nH]n1	30742895	PNACTQKCYVZCQO-HMAPJEAMSA-N	363.421	3.415	50	40	FGGB	
CC(C)(C)[C@]1(OCBr)C(=O)N=CN=CN1Cc1ccccc1	3237979	OZCIRXPIJFREOR-MRXNPFEDSA-N	366.259	3.197	50	40	FGGB	
C#CCn1cc(/C=N/NC(=O)Cc2ccc(OCC)cc2)c2ccccc21	10315688	QSNPFIZXIHGERC-HZHRSRAPSA-N	359.429	3.366	50	40	FGGB	
N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)NC[C@H]1CCCO1	2801241	QOSHPXDDFBUQBB-GPZRYRNASA-N	355.825	3.333	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1OCC	2056584	TXUGCGLAOOXGCF-KGENOOAVSA-N	354.406	3.423	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)N(C)C)c(Br)c(Cl)c1O	408849689	XXFUYWPCJRXBCI-UITAMQMPSA-N	373.634	3.202	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1F	97990495	KKEARFWTRVGVMX-SSZFMOIBSA-N	351.381	3.208	50	40	FGGB	
O=C(N/N=C\c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccncc1	33349889	NUXCVCCIKHNLAQ-AFPJDJCSSA-N	371.759	3.220	50	40	FGGB	
CCCn1nc(C)c2c(C(=O)N/N=C/c3ccc(F)s3)cc(C)nc21	252498374	RAHNLEAJZMTLDO-DJKKODMXSA-N	359.430	3.423	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1	831153	HXWMJQBNQIHSEN-PVGUKEHMSA-N	356.447	3.384	50	40	FGGB	
CC(=NNC(=O)c1ccc(C)c(Br)c1)c1ccc(O)cc1O	254395288	NKMSVTGHOVMMHV-UHFFFAOYSA-N	363.211	3.323	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)Cc1ccccc1	4387265	PTFUSNUXCKKUFJ-PXLXIMEGSA-N	353.422	3.067	50	40	FGGB	
CN(C)CC[C@@H](C(=O)C(Br)Br)c1ccccc1	6437088	XVYFTBFRXQECSY-LLVKDONJSA-N	363.093	3.407	50	40	FGGB	
Cc1ccc(CCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1Cl	22190730	ZTFILPVPZFKUQL-UHFFFAOYSA-N	369.852	3.452	50	40	FGGB	
CCOc1cc(C(=O)N/N=C/c2ccncc2)cc(OCC)c1OCC	3225582	OFHUEZZNIKEVCU-FYJGNVAPSA-N	357.410	3.042	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1	4778786	FCBSVVHAFVBLAP-HSWQHBDASA-N	371.393	3.343	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2cccnc2)o1	4702577	FTASXAPNAPPAEC-JAIQZWGSSA-N	350.334	3.322	50	40	FGGB	
CCCC(=O)NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2	8738604	IYMWKFFXCZELNL-UHFFFAOYSA-N	366.465	3.438	50	40	FGGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(O)c(Br)c2)cc1	20763787	LGJOKIXKBDGYLO-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	408833865	WASMDOHDXZFXQC-UDWIEESQSA-N	354.366	3.016	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1C(=O)O	409167684	JHOZGVAVENAOQB-GXDHUFHOSA-N	366.373	3.338	50	40	FGGB	
O=C(CCl)N(C[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1	79392750	ZAEGIHQDQVPVOT-MRXNPFEDSA-N	350.846	3.017	50	40	FGGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c1)c1ccccc1	830836	YKWAKGHBQAARAY-KMUCBOENSA-N	374.396	3.090	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1Cl	5980480	YNRVEQJHGHJXJB-RGVLZGJSSA-N	359.813	3.461	50	40	FGGB	
O=C(N/N=C/c1ccncc1)c1ccc(COCC(F)(F)C(F)F)cc1	2753248	PMBXBBBXDYAISH-NUGSKGIGSA-N	369.318	3.263	50	40	FGGB	
COc1ccc2nc(NNC(=O)c3ccc(OC)c(OC)c3)sc2c1	4121393	IAVWXPQRKXWYPF-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
O=C(NN=C1CCCCCC1)C(=O)Nc1cccc(Br)c1	4482118	VUJSRHIOQVEEIX-UHFFFAOYSA-N	352.232	3.214	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(OC)c1	59922447	CAWVZGJUBRQXDJ-UFFVCSGVSA-N	352.312	3.487	50	40	FGGB	
CC(C)Oc1ccc(C(=O)NNC(=O)c2ccccc2OC(F)F)cc1	11256606	BEGWCHDDYCJJDF-UHFFFAOYSA-N	364.348	3.150	50	40	FGGB	
CC(C)CCn1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1	253404013	QUKRDWLBUGTVGI-KRWDZBQOSA-N	354.454	3.380	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2Br)c(OC)c1	3572254	RSHLYVROTOAYDU-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O	208350981	RMBPBYBYJSOERW-XEQXHXIFSA-N	361.785	3.348	50	40	FGGB	
O=C(NNC(=O)c1ccccn1)c1ccc(C2SCCCS2)cc1	7123689	ZXQZAAQVMRJFCK-UHFFFAOYSA-N	359.476	3.025	50	40	FGGB	
O=C(CN1CCCCCC1=O)NN(Cc1ccccc1)c1ccccc1	32255524	JNQMZEQCFDCCFM-UHFFFAOYSA-N	351.450	3.127	50	40	FGGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccccc1F	100089476	NBBILKXCRNBCHV-ZMOGYAJESA-N	371.456	3.407	50	40	FGGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)c1	724184	LZDKDSNFHDXSTM-UHFFFAOYSA-N	369.204	3.085	50	40	FGGB	
O=C(CCCC(=O)OCCCc1ccccc1)NNC(=O)C1CCCCC1	12137220	CPINQFOWJCICAY-UHFFFAOYSA-N	374.481	3.060	50	40	FGGB	
CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2279550	OZJJVRDQQRJLOG-NWDGAFQWSA-N	354.834	3.018	50	40	FGGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(NCc2ccccc2)cc1	6615967	NDBWUZKWZKQNTB-UHFFFAOYSA-N	370.412	3.385	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)cc(SC#N)c1O	409059150	UKIWINKVBQSFPN-CHHVJCJISA-N	365.414	3.197	50	40	FGGB	
O=C(CCCC[C@H]1CCSS1)N1CCN(c2ccccn2)CC1	79464409	CHFPMIRLZCQTTJ-HNNXBMFYSA-N	351.541	3.444	50	40	FGGB	
COc1ccc(/C=N\NC(=O)[C@@H](c2ccccc2)N2CCCCC2)cc1	31938718	SNDKKVBDOICQAZ-SUNMQZQPSA-N	351.450	3.373	50	40	FGGB	
COc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	13922226	FDVODZGPRFTVBA-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
CCN(CC)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccccc1	15018571	NTSBILFNFBTCTP-XSFVSMFZSA-N	354.410	3.134	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCC)c(OC)c1	2773471	BFRRTYXAOBNRSW-IZZDOVSWSA-N	354.200	3.326	50	40	FGGB	
O=C(NNC(=S)NC(=O)c1ccc(Cl)cc1Cl)c1cccs1	5945332	MDHYLKSDMCJUTQ-UHFFFAOYSA-N	374.274	3.004	50	40	FGGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1	15423150	JERRZFRGEZQQCF-HNNXBMFYSA-N	363.255	3.458	50	40	FGGB	
C[C@@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(Cl)s1	2767717	OPIZWLHQZITVMS-PTPOTIKZSA-N	353.787	3.227	50	40	FGGB	
N#C/C(=C\c1ccc(Sc2ccccn2)o1)C(=O)NC[C@@H]1CCCO1	408993275	VJQCNYBOTRODBL-VOMSXAGXSA-N	355.419	3.028	50	40	FGGB	
Cc1cc2ccccc2n1CC(=O)NNC(=O)Cn1c(C)cc2ccccc21	4674860	OEZNOHOVACKDRI-UHFFFAOYSA-N	374.444	3.060	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1c[nH]c2ccccc12	4786690	QXQIFLPSSMVVTR-QGZVFWFLSA-N	355.353	3.492	50	40	FGGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1	408855603	GZWYFVUHFDUXDQ-GNKPEBMXSA-N	355.394	3.311	50	40	FGGB	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1cccc(C(=O)O)c1	8379974	XIJYDPVOWMVTMG-DDHXKYOOSA-N	363.329	3.395	50	40	FGGB	
Cc1ccc2sc(NNC(=O)c3ccc4c(c3)OCCO4)nc2c1C	5025719	WJFSEWBIMWATLQ-UHFFFAOYSA-N	355.419	3.441	50	40	FGGB	aggregator
COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1	59515243	PXCFENFZNJMYRF-FYJGNVAPSA-N	353.422	3.444	50	40	FGGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccc(Cl)cc1	39383925	BLWNBFQRGWKKND-YVNNLAQVSA-N	368.824	3.010	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(N2CCCC2)cc1	4675059	BGUHYCMESUBIFZ-FYJGNVAPSA-N	357.841	3.469	50	40	FGGB	
Cc1cc(C)c2c3c(sc2n1)[C@@]1(CCN(C)C[C@@H]1C)C(C#N)=C(N)O3	4620607	LLQUIEVPVPAXDR-JEOXALJRSA-N	354.479	3.209	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc(OC)c1O	408752259	CPNIXQPAGPKRRP-ZSOIEALJSA-N	366.373	3.158	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccncc1	408967678	RPPKHTYVBLPFCE-WYMPLXKRSA-N	361.380	3.264	50	40	FGGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1OC	33399531	BDALCXWRXJRIHA-BKUYFWCQSA-N	370.405	3.041	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1C[C@@H]1CCCO1	409201557	WHKHKKGCNSQSJB-YFJYBRFJSA-N	364.449	3.041	50	40	FGGB	
Cc1ccc(Cl)cc1-n1ncc2c(NNC(=O)c3ccco3)ncnc21	13496869	AKJCABOLDGYQBW-UHFFFAOYSA-N	368.784	3.127	50	40	FGGB	
O=C(CSCc1ccccc1Br)N/N=C/c1cccnc1	5583970	FYSZHIIETBARCG-GIJQJNRQSA-N	364.268	3.228	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCC	8846202	FYQPILICNSFDGL-IBGZPJMESA-N	351.406	3.284	50	40	FGGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccco1)N/N=C/c1ccco1	15922189	VQICFYBLCBBZEA-OZNQKUEASA-N	372.425	3.204	50	40	FGGB	
Cc1ccnc(Sc2ccc(/C=C(\C#N)C(=O)Nc3cccnc3)o2)n1	409275441	JKGUXBXGYSKEHU-UKTHLTGXSA-N	363.402	3.470	50	40	FGGB	
CCn1ncc(/C=N/NC(=O)c2ccc(COc3ccc(F)cc3)o2)c1F	252501274	UCZBCRCQEJWONP-ZVBGSRNCSA-N	374.347	3.117	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)cc1	6205317	HDKLJIGUYFEBFC-KGENOOAVSA-N	355.438	3.314	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cc(F)cc(F)c1	15087243	FCGBHHXOOQJUJO-HNNXBMFYSA-N	352.296	3.289	50	40	FGGB	
CN(C)c1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	11296379	CWKWLLILGICDRN-NTCAYCPXSA-N	357.421	3.328	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)c(O)c1	4739473	NYPIGMHCEGPRBO-LPYMAVHISA-N	354.454	3.109	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1	33305927	IBMFIEFDDZKNEN-WQLSENKSSA-N	355.350	3.295	50	40	FGGB	
CCN(C(=O)COC(=O)/C(C#N)=C\c1ccc(OC)cc1)C1CCCCC1	33855406	FLDJZJOWORIAIK-LGMDPLHJSA-N	370.449	3.327	50	40	FGGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1ON(Cc2ccccc2)[C@H]2C(=O)OC[C@@H]12	953105896	VBEBZLQDMDXHNZ-YESZJQIVSA-N	363.530	3.366	50	40	FGGB	
CC(C)CC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1	29401637	LIMNZLSSXLADOM-UHFFFAOYSA-N	358.825	3.378	50	40	FGGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(-c3cccs3)c21	806301	UFZZZRJETDICFS-AWEZNQCLSA-N	350.403	3.365	50	40	FGGB	
COC(=O)[C@H](C)[PH](c1ccccc1)(c1ccccc1)c1ccccc1	100333098	GYPLQZOEZNEGFT-SFHVURJKSA-N	350.398	3.274	50	40	FGGB	
Cc1nc2ccccc2n1CC(=O)N/N=C/c1cccc(Br)c1	5571454	WIKCOHGTWAVBLT-VXLYETTFSA-N	371.238	3.258	50	40	FGGB	
O=C(CCCCl)NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1	4723358	OUSYUFSDESOOCG-UHFFFAOYSA-N	373.869	3.253	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2)c1	33607197	UGAIUOAGLRSDQI-STZFKDTASA-N	350.422	3.009	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1c(OC)ccc2ccccc12	5671257	GBMASFVKXDBEIH-LPYMAVHISA-N	364.401	3.386	50	40	FGGB	
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	830369	WCCZXOZNRGLOBK-SFHVURJKSA-N	354.406	3.299	50	40	FGGB	
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NNC(=O)c1ccco1	8238298	PJNFUDSDUUZJEB-UHFFFAOYSA-N	363.732	3.110	50	40	FGGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	59334920	KXBXKPKQOBYRAI-WJDWOHSUSA-N	351.362	3.169	50	40	FGGB	
CSc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1	409152410	KGUIIILZHNVFEE-YQODDJSKSA-N	367.474	3.220	50	40	FGGB	
CCOC(=O)c1ccccc1C(=O)[C@@H](Br)CBr	575362026	VXXBBZZLFZSVQQ-JTQLQIEISA-N	364.033	3.204	50	40	FGGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(N(C)c3ccccc3)cc2)n1	20215763	KGJBWEZGEOJCDF-DTQAZKPQSA-N	371.448	3.352	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(OC)c(Cl)c1	20100781	YXNZOZCGJZSQLI-RGVLZGJSSA-N	362.813	3.276	50	40	FGGB	
C[C@]1(C(=O)N/N=C/c2ccccc2)CC1(Br)Br	4907209	QZIHDCRTSAFDPS-LBMJDHPKSA-N	360.049	3.033	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(C(=O)O)cc1	2756243	PQMFQULBSRDKOA-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	1082797	ZKWYCFCJLNPYJX-UKTHLTGXSA-N	356.765	3.349	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@H](O)c1ccccc1	4908112	HVYAPCKANOETKX-BAOGCXAUSA-N	365.345	3.039	50	40	FGGB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1ccsc1	6211221	XHFOCSCNTSTREC-FBCYGCLPSA-N	352.341	3.267	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1	5481006	NZCFYVJDAJHIDH-UFWORHAWSA-N	366.204	3.421	50	40	FGGB	
CCCCOc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1	226367661	FPUSOEAHVYWFHH-UHFFFAOYSA-N	365.433	3.421	50	40	FGGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)C(=O)Nc1ccc(F)cc1	1188315	UBZYOYQCTGBXFQ-VZUCSPMQSA-N	355.281	3.008	50	40	FGGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1	409266431	WSIJNOFDOHXVPL-LPYMAVHISA-N	368.433	3.140	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1OCC	65997099	ZXZIIGSVVXPVHV-FYJGNVAPSA-N	372.421	3.265	50	40	FGGB	
O=C(N/N=C/c1cc2ccccc2nc1N1CCCCC1)c1ccncc1	43775862	QHXXLDODLMHUHG-HZHRSRAPSA-N	359.433	3.384	50	40	FGGB	
N#CC1=C2SC[C@](O)(c3ccccc3)N2C(=O)C[C@@H]1c1cccs1	1066279	RBQXDCBQVOXYDO-UGSOOPFHSA-N	354.456	3.391	50	40	FGGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	825380	XKAUDHLZXFATDX-UHFFFAOYSA-N	373.840	3.399	50	40	FGGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCC#N)c(Br)c1	59334041	TXFPELQKGKQGNR-YHYXMXQVSA-N	368.618	3.000	50	40	FGGB	
C#CCOc1ccc(Cl)cc1[C@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409139075	MBXNHWNGXPGISP-SFHVURJKSA-N	367.836	3.082	50	40	FGGB	
CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	4652915	UBAZZCGNSKFQLU-QGZVFWFLSA-N	352.390	3.345	50	40	FGGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c([N+](=O)[O-])c1	408720187	ZAADTQIIGVTYGW-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
CCCOc1c(Br)cc(/C=C(/C#N)C(=O)NC)cc1OCC	212022235	WTGYFZNRHUBYBM-GHXNOFRVSA-N	367.243	3.290	50	40	FGGB	
COc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccco3)c2c1	871131	DFMMJFJHMDPBTJ-VXLYETTFSA-N	355.419	3.387	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C)cc2)CC(=O)N1	8972662	WOLXTTITSVLYKP-HNNXBMFYSA-N	358.463	3.410	50	40	FGGB	
O=C(CCCc1c[nH]c2ccccc12)NNC(=S)NCc1ccccc1	3362021	GZGRLORYQPSHMO-UHFFFAOYSA-N	366.490	3.186	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](Cc1ccccc1)C(C#N)=C(N)O2	2228013	XNXMEEZEPXORKH-KRWDZBQOSA-N	373.412	3.211	50	40	FGGB	
Cc1ccsc1/C=N\NC(=O)c1cccc(I)c1	33336548	ZVVZQZNIWLXPGZ-NVNXTCNLSA-N	370.215	3.425	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(O)c1	98087137	DQPVCXXEYRVXCG-YDZHTSKRSA-N	371.396	3.011	50	40	FGGB	
O=C(Br)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F	95681940	UWPGPNWCEFPFJC-UHFFFAOYSA-N	358.938	3.239	50	40	FGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)COc1ccccc1	1106559	HBTRBGIHHKCELP-CIAFOILYSA-N	368.824	3.363	50	40	FGGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Br)C(N)=O	408896046	MOQXGROFPHIQBO-NTEUORMPSA-N	357.207	3.420	50	40	FGGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1)OCO2	409121938	ZGZDVUPMRZYVSJ-NTUHNPAUSA-N	354.337	3.499	50	40	FGGB	
Cc1c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc2n1C	409049664	XPXXENZRQSPUDW-UDWIEESQSA-N	350.378	3.088	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(C)c(Cl)c1	409053199	MRICPCCTZSGSDU-KEBDBYFISA-N	362.813	3.438	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(Br)s2)cc1	33295515	MKKTVHFETTUFFN-PXNMLYILSA-N	369.240	3.048	50	40	FGGB	
O=C(c1ccccc1)N1C[C@H]2C[C@@H](Br)[C@H]1[C@H]2Br	239296808	DKFDXPLRTDNFPL-WYUUTHIRSA-N	359.061	3.058	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)NC1CCCCC1	58914356	CZTVZPIACVVCAH-MTJSOVHGSA-N	373.840	3.499	50	40	FGGB	
O=c1c2ccccc2c(=O)n(-c2ccccc2)n1CCCCBr	2086884	HGNAOGYATYGNJW-UHFFFAOYSA-N	373.250	3.328	50	40	FGGB	
CC1(C)Cc2nc(-c3ccccc3)nc(NNC(=O)c3ccco3)c2CO1	2412803	XPQWXBNAPFDBFQ-UHFFFAOYSA-N	364.405	3.345	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@]2(C)CC2(Cl)Cl)c(O)c1	17073892	WKXBEDZGHLGAQM-OMPOGXFXSA-N	358.269	3.272	50	40	FGGB	
C/C(=N\NC(=O)c1ccccn1)c1ccc(OC(F)F)cc1OC(F)F	5444367	LPZIXGPUBOCOJS-LSFURLLWSA-N	371.290	3.438	50	40	FGGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2cccc3c2OCO3)c1C	40139677	TXYXQXSYFQTISC-RIYZIHGNSA-N	366.373	3.327	50	40	FGGB	
COc1c(F)cc(C(=O)CBr)cc1I	575705488	MJRNNYWWQFSDAR-UHFFFAOYSA-N	372.959	3.017	50	40	FGGB	
O=C(N/N=C1\CCN(CC(F)(F)F)C1)c1cc2c(s1)CCCCC2	58463222	YSFRQGQOILDFIZ-UDWIEESQSA-N	359.417	3.371	50	40	FGGB	
CN1/C(=C\C=C(/C#N)C(=O)NC[C@H]2CCCO2)C(C)(C)c2ccccc21	7159822	LFIVTICBRZEXIR-PGNDVKJDSA-N	351.450	3.043	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(Br)c1O	3525091	JXAJBQYRWHHFBA-QGMBQPNBSA-N	367.174	3.066	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1	7385410	CRUQNMMLHCRAEV-KGENOOAVSA-N	353.422	3.068	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1[N+](=O)[O-]	8571109	DNZMDYARBHKJTJ-VXLYETTFSA-N	373.434	3.295	50	40	FGGB	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)NCCc1c[nH]c2ccccc12	23410760	IRHYKIQVCIHJBA-LFIBNONCSA-N	360.373	3.342	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(OC)c1	1229569	RWJRVGOVOSJBCW-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
CC/C(=N\NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1	408863842	RHXOQKVQIIMPAK-HMMYKYKNSA-N	371.393	3.465	50	40	FGGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OCC	409318479	VXHGMCQOPQEVEA-BKUYFWCQSA-N	372.421	3.265	50	40	FGGB	
CC(C)(C)OC(=O)NNC1CN(C(c2ccccc2)c2ccccc2)C1	115220610	PUQRRWOZJFXJIA-UHFFFAOYSA-N	353.466	3.490	50	40	FGGB	
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)C[C@@H]1C=CCC1	14181765	VBOPLXCNZXUPHF-GOSISDBHSA-N	364.445	3.160	50	40	FGGB	
O=C([C@@H](F)CCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1	19832352	BKSBTODBFFBUIV-SFHVURJKSA-N	360.860	3.497	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1	4037141	NLVKRCFNTLBNDG-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
CC(/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1)=C\c1ccccc1	12362139	PSVRDDCYDKOWEP-CVNWQJJWSA-N	355.825	3.275	50	40	FGGB	
CCn1cc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)c2ccccc21	6713899	LUANEGNXWGJKES-RGVLZGJSSA-N	366.377	3.342	50	40	FGGB	
C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccc(F)cc1	106824782	ZRXGPEPTLNEWGT-YDZHTSKRSA-N	361.376	3.480	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(OCC)c1O	59679119	INBIKWFKXZASGF-UDWIEESQSA-N	369.377	3.192	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1cccc([N+](=O)[O-])c1	1087245	OIQHYLQORWQHHN-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc2c(cc1Cl)OCO2	1437705	VQKPVSYCTLYVQW-DNTJNYDQSA-N	360.797	3.215	50	40	FGGB	
N#Cc1ccc(C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1	3256475	CLYCVWRQZLOKKQ-UHFFFAOYSA-N	371.396	3.065	50	40	FGGB	
O=C(CSc1ccccc1F)NNC(=O)c1ccccc1-n1cccc1	5423232	IYFKQLMLOXEEMG-UHFFFAOYSA-N	369.421	3.170	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccc(F)c1F	4837643	KJXQHVHPDILLKJ-AWEZNQCLSA-N	352.296	3.289	50	40	FGGB	
C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)c2ccncc2)cc1	15989803	ZULJNEKSGOMBTE-QRVIBDJDSA-N	362.389	3.389	50	40	FGGB	
C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OC)cc2)c1	408935536	HRCBMNYHNYOBQZ-ATVHPVEESA-N	360.369	3.031	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)cc1	6209580	BZRALDLTDSUYSK-LFIBNONCSA-N	350.374	3.258	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	59474731	KRGVEYCKEXSMRS-LTNVFZTJSA-N	369.852	3.406	50	40	FGGB	
O=C(NNC(=O)c1ccc2c(c1)OCO2)Nc1ccc(Cl)c(Cl)c1	2751378	DLQBHLNFMHDGJU-UHFFFAOYSA-N	368.176	3.189	50	40	FGGB	
O=C(CSc1nc2ccccc2s1)N/N=C1/CC(=O)c2ccccc21	103452674	RZMZQXUGXZDQEL-ZHZULCJRSA-N	367.455	3.495	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)c2cccc(C(F)(F)F)c2)cc1	408585912	KUNCVQSXBUJWQA-UHFFFAOYSA-N	369.368	3.345	50	40	FGGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccc(Cl)cc2)oc2ccccc12	7380274	GBQIRJUSAVVTBD-UHFFFAOYSA-N	364.810	3.018	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc2c1OCO2	211452662	RKQBCIZRWWNJAI-KHAFMBKQSA-N	350.374	3.208	50	40	FGGB	
O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc([N+](=O)[O-])c1	1021920	UHPDBDJDMSQTHE-YBFXNURJSA-N	368.374	3.498	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1C(=O)O	13337178	XDECIZYOAJHVMA-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccccc2OC)cc1OCC	6961128	IBYSQHSAUAVVBV-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@H]1CCCO1	2674138	PXRDWUWDYHFBAL-CNSVBDKNSA-N	362.429	3.468	50	40	FGGB	
COCc1n[nH]c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	989024	MBAVNFOUIYFGOG-LLVKDONJSA-N	351.193	3.081	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1	104659491	GFNFRECRDMEWRC-QXMHVHEDSA-N	359.480	3.316	50	40	FGGB	
CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1OC	2177135	HDOQZBPTFZIIHE-KGENOOAVSA-N	356.422	3.403	50	40	FGGB	
COc1ccc2c(c1)C(=NNC(=O)c1ccccn1)c1cc(OC)ccc1-2	2318694	WVMKPRBAQAFCBZ-UHFFFAOYSA-N	359.385	3.262	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(N2CCCC2)cc1	33760905	BGUHYCMESUBIFZ-BKUYFWCQSA-N	357.841	3.469	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)Cc2ccc(OC(F)(F)F)cc2)c(C)c1	40120851	KOMRCAVFSMMYKD-UHFFFAOYSA-N	366.339	3.206	50	40	FGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccccc2)cc1)Nc1ccccc1	83327084	BVSGGAJBIRIALM-HAHDFKILSA-N	373.412	3.468	50	40	FGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccccc1[N+](=O)[O-]	6407167	JARCLBRQWBGSBO-FYJGNVAPSA-N	363.373	3.449	50	40	FGGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1ccccc1	100089584	BQNZUBQHQITXEI-OEAKJJBVSA-N	353.466	3.267	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OC(C)(C)C)cc1OC	2697896	CNVMNTNOCMWYHA-KRWDZBQOSA-N	372.421	3.127	50	40	FGGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1OC	2805781	KUENFOJUUSEAJR-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
O=C(NNC(=O)c1ccncc1)Nc1c(Cl)cccc1C(F)(F)F	35623039	OAYZDEIIWNGMRD-UHFFFAOYSA-N	358.707	3.220	50	40	FGGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(O)c(Br)c2)cc1C	408567288	LKKYMELNGIYOMA-VXLYETTFSA-N	361.239	3.464	50	40	FGGB	
COC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccc(O)c(OC)c1	4751337	MQVWSMKBKBGEGE-GOSISDBHSA-N	366.373	3.155	50	40	FGGB	
C/C(=N/NC(=O)c1ccccc1[N+](=O)[O-])c1cccc(NC(=O)C2CC2)c1	5888532	QJUNAKCKHYRVMF-MTJSOVHGSA-N	366.377	3.097	50	40	FGGB	
Cc1ccc(C)c(-n2ncc3c(NNC(=O)c4cccs4)ncnc32)c1	35586497	UTFFTKULKXNISD-UHFFFAOYSA-N	364.434	3.251	50	40	FGGB	
CCc1cccc(OCC(=O)N/N=C\c2ccc(Br)o2)c1	16162248	PORVMQPMUORDAZ-MFOYZWKCSA-N	351.200	3.134	50	40	FGGB	
CCCCCCCC(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12	102930866	AOYQEQGNFRLXCJ-UHFFFAOYSA-N	372.469	3.099	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(O)c([N+](=O)[O-])c1	105956075	XAGQIVHFTFESDH-UKWGHVSLSA-N	367.283	3.012	50	40	FGGB	
CCCCCCC(=O)N/N=C1/C(=O)Nc2ccc(Br)cc21	1956833	UQQVQYWXPJMWEN-UHFFFAOYSA-N	352.232	3.192	50	40	FGGB	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccc(OC)c(OC)c2)cs1	7067345	UDFZBHVKJDAZMJ-FMIVXFBMSA-N	359.407	3.210	50	40	FGGB	
COc1cccc(C(=O)N/N=C\c2ccc(OC)c(Br)c2)c1	408876893	OQBPNJSVAVNZDU-ZDLGFXPLSA-N	363.211	3.230	50	40	FGGB	
N#C/C(=C/c1cc(Br)c(O)cc1O)C(=O)NCc1ccccc1	408747114	JJHMTXFKWMVLCR-MLPAPPSSSA-N	373.206	3.084	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccccn3)o2)cc1	12411105	MSWWVXCVLOKNBF-XKZIYDEJSA-N	363.373	3.282	50	40	FGGB	
C[C@]1(CBr)CN=C(N2CCN(c3ccccc3)CC2)S1	1440437	FUCDIGWVHZSRNO-HNNXBMFYSA-N	354.317	3.065	50	40	FGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2ccc(Cl)cc2)cc1	100522581	VAJRLHNHXOBUHM-LPYMAVHISA-N	373.840	3.161	50	40	FGGB	
COc1ccc(-n2nc(C(=O)NN)cc2-c2ccc(C(C)C)cc2)cc1	59472507	RVQUFOPMBUOIDG-UHFFFAOYSA-N	350.422	3.275	50	40	FGGB	
O=C(CCC(=O)NC1CCCCC1)N/N=C/c1c(O)ccc2ccccc12	3089270	SRPBYDQTTSJSLK-HYARGMPZSA-N	367.449	3.225	50	40	FGGB	
CCOC(=O)c1ccc(N/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	44842241	OVOYDPGZGFJTER-GHRIWEEISA-N	356.403	3.114	50	40	FGGB	
O=C(COc1ccccc1F)NNC(=O)c1ccc(-c2ccccc2)cc1	8350538	QSXSJPPSAPQNTQ-UHFFFAOYSA-N	364.376	3.333	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(Br)c1	6183953	HOUHLJHIHGUUCB-WHLRTTNFSA-N	351.244	3.431	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1	5163282	MEBPKEVWVBDVKT-KGENOOAVSA-N	357.841	3.331	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc2c(c1)OCO2	408773948	UNZMCSMCGSZZLP-YVLHZVERSA-N	364.401	3.426	50	40	FGGB	
N#C/C(=C/c1ccc2c(c1)OCCO2)c1nc(N)nc(Nc2ccccc2)n1	96931624	ZGUPLYPREFLHMS-UVTDQMKNSA-N	372.388	3.033	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccccc2)c1	66791378	NONNTLLOZBXORY-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
CN(C)c1oc(/C=N\NC(=O)Nc2ccc(F)cc2)cc1Br	408843414	FJTWGUXGPVPWKS-IUXPMGMMSA-N	369.194	3.403	50	40	FGGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(C(=O)O)cc1	59154186	DIYCADARYCIDRE-DJKKODMXSA-N	362.838	3.422	50	40	FGGB	
COc1ccc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)cc1OC	2659069	PORJERZWFDVVRG-GQCTYLIASA-N	370.302	3.417	50	40	FGGB	
O=C(NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1	987388	SMWZUPSRGWMYMG-UHFFFAOYSA-N	361.357	3.337	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1cccs1)C(C#N)=C(N)O2	1256032	PXONLGDQZGGYBF-MRXNPFEDSA-N	365.414	3.078	50	40	FGGB	
CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N/N=C/c1cccc2cccnc12	5071270	HXEQCFJCNGNYNK-QPNANDPSSA-N	368.437	3.084	50	40	FGGB	
O=C(NNC(=S)NCCCc1ccccc1)c1cc2ccccc2o1	408587293	SYZOGNXSKACNII-UHFFFAOYSA-N	353.447	3.175	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccc2c(c1)OCCO2	409359261	AWJWAUWANKCNSN-MTJSOVHGSA-N	374.824	3.203	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccccc2Cl)c([N+](=O)[O-])cc1OC	5720127	LHKSZFMWSVXGLN-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
O=S(=O)(c1ccccc1)[C@@H]1CCCC[C@H]1I	1679969	WEYYJMSZTHFYRV-VXGBXAGGSA-N	350.221	3.207	50	40	FGGB	
COc1cc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC	31858833	RLWKEIUWIBHJSP-SXGWCWSVSA-N	373.430	3.359	50	40	FGGB	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F	104636930	FNIPYJQQFWUWJA-GHMZBOCLSA-N	369.368	3.035	50	40	FGGB	
Cc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1C	3202896	YADDWOPTHRFDCD-UDWIEESQSA-N	368.393	3.081	50	40	FGGB	
CCC[C@@H](C(=O)OC)/C(C)=N/NC(=O)c1ccc(Br)cc1	408722723	FKDGRSJQRWLVIZ-VGSSETLESA-N	355.232	3.144	50	40	FGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)/C=C/c1cscn1	50551251	RBUPLDZHQOPFIR-BQYQJAHWSA-N	370.459	3.049	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc(F)cc1	8812263	WJCMIPOCQKLDEF-CAOOACKPSA-N	366.146	3.260	50	40	FGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	58912447	AHLJOTKSZXKKNS-LPYMAVHISA-N	368.481	3.029	50	40	FGGB	
O=C(O)/C(Cl)=C(Cl)/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	2753491	ODMICLRBCCMWSE-ZDJWEWCNSA-N	355.992	3.483	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc(NC(C)=O)cc3)ccc21	3251104	SVXRHJQVDBVDAE-CIAFOILYSA-N	363.421	3.087	50	40	FGGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(Cl)c3)CC2=O)cc1	409254401	ZBEPMSQJRMCVLS-YSUUHWHMSA-N	369.852	3.406	50	40	FGGB	
O=C(CCCCCCCC(=O)N/N=C/c1ccco1)N/N=C/C1=CC=CC1	6221980	RVMHHSIAROSIBD-YHARCJFQSA-N	370.453	3.449	50	40	FGGB	
O=C(N/N=C1\[C@@H]2[C@H]3[C@@H]4[C@@H]1[C@H]1[C@@H]2C[C@H]3[C@H]1[C@@H]4Br)Nc1ccccc1	104202652	FBZBNONCKRZHGH-RCJUTDDLSA-N	372.266	3.315	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)/C=C/c1ccc(-c2ccccc2F)o1	8304607	UDZKBMMHEUOTKJ-VQHVLOKHSA-N	354.337	3.462	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(OC)c1	860581	NXMRWFAUKUOPRV-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
O=C(NN=C1CCC2(CC1)OCCO2)c1ccc(COc2ccccc2)o1	43946062	MEHHEFUHYHOIKH-UHFFFAOYSA-N	370.405	3.262	50	40	FGGB	
COc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(OC)c1	408755528	VILZCPWGDWECTP-SSDVNMTOSA-N	366.339	3.415	50	40	FGGB	
N#CC1=C(N)Oc2[nH]c(-c3ccccc3)nc2[C@@H]1c1ccc([N+](=O)[O-])cc1	13207760	VAXVPFKKZZZFNU-OAHLLOKOSA-N	359.345	3.203	50	40	FGGB	
CCc1n[nH]c2c1[C@H](c1ccc(Br)s1)C(C#N)=C(N)O2	4102574	HLGJPLKOLRFWEZ-JTQLQIEISA-N	351.229	3.014	50	40	FGGB	
Cc1ccccc1/C=N/NC(=O)CCCC(=O)N/N=C/c1ccccc1C	13968242	KKMBGLQXEFHLJK-HOFJZWJUSA-N	364.449	3.074	50	40	FGGB	
O=C(NCc1ccccc1)[C@@H](CCCl)n1cc(-c2ccccc2)nn1	2087157791	NSTQWBYWOCGTAQ-GOSISDBHSA-N	354.841	3.432	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	2265789	XKWJUMROWZOPKE-DKSCHZSNSA-N	361.854	3.213	50	40	FGGB	
CCOc1ccc(/C(C)=N\NC(=O)CCn2cnc3ccccc32)cc1	4148576	SSVGVCRKAIANQJ-JCMHNJIXSA-N	350.422	3.366	50	40	FGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccccc2Cl)c(C)c1	4508634	ZCPLTAAFPNMOHC-UHFFFAOYSA-N	373.840	3.137	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OC	408968440	WQKHMIJJJHTLMY-ZVBGSRNCSA-N	361.760	3.132	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C\c2cccc(OC)c2OC(C)C)cc1	38585893	QSBLETFPXFJYEM-MTJSOVHGSA-N	372.421	3.020	50	40	FGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c1	5408865	NAXNXACALBXYNN-CQSZACIVSA-N	350.403	3.365	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)ccc1Cl	6267267	UNFXOXJMXVJKHK-UHFFFAOYSA-N	353.205	3.142	50	40	FGGB	
CCN(C(=O)CCl)[C@H]1CCCC[C@@H]1NC(=O)OCc1ccccc1	79392692	OUUXPGNENYIVTB-HOTGVXAUSA-N	352.862	3.311	50	40	FGGB	
COC(=O)c1[nH]/c(=N/C(=O)CCCC[C@H]2CCSS2)sc1C	95472114	LHRYCWNDBGUBEN-JTQLQIEISA-N	360.526	3.313	50	40	FGGB	biogenic
Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N/N=C/c1ccc(F)s1	252487823	IBXLLWJCFKYIAM-JJPRUIFNSA-N	368.743	3.215	50	40	FGGB	
CC#C[P@@](=O)(OC)[C@@](O)(CBr)c1ccc([N+](=O)[O-])cc1	1297613	PZCBTWKZGNGUHH-FKIZINRSSA-N	362.116	3.040	50	40	FGGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)CC3(C)OCCO3)c2)cc1	6841194	WSRJEAZREMKHSG-HYARGMPZSA-N	368.433	3.177	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)[nH]n1	4870875	RLHXIQFIHFVKAD-SRZZPIQSSA-N	368.824	3.432	50	40	FGGB	
C#CCOc1cccc(/C=N\NC(=O)Cc2ccc(Br)cc2)c1	35494432	QECMQJYLLZBZJP-MOSHPQCFSA-N	371.234	3.154	50	40	FGGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)NCCOC)cc1	3240635	KJCSTXYTAYBZHV-HMMYKYKNSA-N	363.461	3.383	50	40	FGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	59377482	WAPJJXOCIALRNX-FYJGNVAPSA-N	363.373	3.449	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)[C@@H](Br)C2=O	2137237	PWPFFIVPKSAXRG-VUCTXSBTSA-N	365.271	3.289	50	40	FGGB	biogenic
O=C1S[C@H](Br)C(=O)N1Cc1ccc(Br)cc1	12136870	GMRJLFISRBTDEV-QMMMGPOBSA-N	365.046	3.366	50	40	FGGB	
O=C(CSS(=O)(=O)O)N1c2ccccc2Sc2ccccc21	4474832	KZLAOOCQFAKQDU-UHFFFAOYSA-N	353.446	3.352	50	40	FGGB	
COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc([N+](=O)[O-])cc1	102788773	AKKGYUXYCIMWLW-UHFFFAOYSA-N	356.334	3.240	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1OCC	8733057	UFKFGQIWJDKOOI-GFCCVEGCSA-N	371.275	3.094	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCOCC2)c(F)c1)C(=O)Nc1ccc(F)cc1	66255711	HQMIRDHJQLGPFR-PTNGSMBKSA-N	369.371	3.347	50	40	FGGB	
Cc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12	4121301	XZNZINRCDUVBMG-UHFFFAOYSA-N	351.387	3.468	50	40	FGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccncc1	100613992	JLKDFSUSQXQYII-OEAKJJBVSA-N	350.422	3.095	50	40	FGGB	
O=C(NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1	801999	GJCXSRCKVQUDTG-UHFFFAOYSA-N	359.385	3.014	50	40	FGGB	
Cc1n[nH]c2c1[C@@H](c1cc3cccc(C)c3nc1Cl)C(C#N)=C(N)O2	1223579	QWHOOIXWMABMCJ-AWEZNQCLSA-N	351.797	3.446	50	40	FGGB	
CCCC[C@]1(CCBr)C(=O)N=C(Nc2ccccc2)NC1=O	2035557	CGCXNVXANSVPMU-UHFFFAOYSA-N	366.259	3.073	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1OC	2502479	FIVZEWAGNJHUFA-IBGZPJMESA-N	366.373	3.041	50	40	FGGB	
O=C(NNC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1cc(-c2ccco2)nc2ccccc12	102242936	DMQNAMHZQUSVOZ-DZKIICNBSA-N	373.412	3.468	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)Cc2ccc(OC)cc2)c2ccccc21	6959719	CWPCEHDWJGTFCN-HZHRSRAPSA-N	359.429	3.284	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc([N+](=O)[O-])cc2)cc1	59473586	QPOHIENGYWQWDN-CPNJWEJPSA-N	373.434	3.377	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2cc(Br)ccc2Cl)c(C)o1	3416286	AAFKKEGNPJJPPP-UHFFFAOYSA-N	371.618	3.387	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)n1	14511828	JQEOSIGYBGDFQF-SNVBAGLBSA-N	355.225	3.311	50	40	FGGB	
O=C(N/N=C/c1ccccc1)C1CCN(C(=O)c2ccccc2Cl)CC1	409004851	FNOSUONLDLHFKK-HYARGMPZSA-N	369.852	3.343	50	40	FGGB	
Cc1oc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	408876034	MGWDQSHQOJRMQB-VIZOYTHASA-N	352.144	3.023	50	40	FGGB	
Cc1ccc(/C=N\NC(=O)[C@H]2COc3ccc(C(C)(C)C)cc3O2)c(O)c1	32109228	UXWMENUFPOVUGB-VCYKRWNGSA-N	368.433	3.288	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccc(C)c2)cc(Br)c1O	5747729	UOEZQIIYXYLQIT-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
C=CCOc1ccc(NC(=O)C(=O)N/N=C/c2cccc3ccccc23)cc1	6312999	NWAYPUABJRULIB-HZHRSRAPSA-N	373.412	3.493	50	40	FGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1OCC	6410675	BYZZNJAJVDVCJD-GHRIWEEISA-N	352.434	3.453	50	40	FGGB	
BrCC(Br)(CBr)CBr	1648354	ZERKZESDARGAHK-UHFFFAOYSA-N	373.708	3.305	50	40	FGGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1	3168545	PDAQENUJKDTTCB-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
CC1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC1	100749551	BWDCQGOQXIOZPI-CSMYWGQOSA-N	356.304	3.404	50	40	FGGB	
O=C(COc1ccc2c(c1)CCC2)NNc1c(F)c(F)cc(F)c1F	3570018	UVWUYZXHOIJEEL-UHFFFAOYSA-N	354.303	3.254	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2cccs2)C(C#N)=C(N)O3)c1	5180514	GLPCLMPVKJTFAP-CQSZACIVSA-N	350.403	3.365	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(N)=O)ccc1OCCOc1cccc(C)c1	4575339	FRMCIWVTURTNQX-SFQUDFHCSA-N	366.417	3.244	50	40	FGGB	
C=CCc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(OCC)c1O	409243197	QFZIFSWYXPHTOQ-XKZIYDEJSA-N	356.397	3.351	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(Br)cs2)cc1	4739484	KULJOCKDLFJVCA-REZTVBANSA-N	352.257	3.381	50	40	FGGB	
CC(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1	408998294	PVFYCVAWIRCZEA-UHFFFAOYSA-N	359.813	3.009	50	40	FGGB	
CCOc1cccc2cc([C@@H](C)NS(=O)(=O)CBr)oc12	95455725	MYVLLRSENNSOSJ-SECBINFHSA-N	362.245	3.164	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1OC	4196170	QKRAFFXFXSEVMH-RIYZIHGNSA-N	367.361	3.466	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	7383868	GDTBPBLDPDXDGY-KGENOOAVSA-N	353.422	3.068	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(N/N=C(\C)c2ccncc2)cc1)c1ccncc1	4863557	NYLYCBKTKFGZPU-FEZYOMQXSA-N	372.432	3.467	50	40	FGGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2cc3c(cc2Cl)OCO3)c1	30855996	OSXMIZNGBGGFAS-ZBKNUEDVSA-N	360.797	3.215	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)CSc2nc3ccccc3cc2C)c1	932886	QITKMUFBKZBARP-UHFFFAOYSA-N	365.458	3.405	50	40	FGGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nnc(COC)s2)cc1	1903467	QQLKBBBCJVLCGR-GXDHUFHOSA-N	372.450	3.409	50	40	FGGB	
C[C@@]1(C(=O)N/N=C/c2ccccc2)CC1(Br)Br	4907211	QZIHDCRTSAFDPS-BXRZMRDGSA-N	360.049	3.033	50	40	FGGB	
CCCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@@H](C(=O)OC)C(=O)N1	12249942	WJFZJNGNMJQDSB-ZIAGYGMSSA-N	364.854	3.221	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	59334449	DQDNJZIVANXYMH-ZSOIEALJSA-N	371.824	3.441	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1	59444392	YRWIRYDHBKHBHV-VXLYETTFSA-N	361.854	3.459	50	40	FGGB	
Cc1ccccc1C(=O)N/N=C1\C(=O)Nc2ccc(C)c(Br)c21	18116592	HUIQRSWKDTZTAR-UHFFFAOYSA-N	372.222	3.152	50	40	FGGB	
CCOc1ccc(NC(=O)CCC(=O)N/N=C(\C)c2cccs2)cc1	4525202	BYFUQWVHUSSZIQ-DEDYPNTBSA-N	359.451	3.406	50	40	FGGB	
CC[C@H]1C[C@@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CC(=O)N1	97373151	AUXJHFSFUBAGHK-MSOLQXFVSA-N	351.450	3.029	50	40	FGGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	408744179	JKUZQYOCBUBBLL-SDQBBNPISA-N	368.305	3.063	50	40	FGGB	
O=S(=O)(c1ccc(Cl)c(Cl)c1)N(CCCl)CCCl	1688255	YMOJJQCVBSAXNM-UHFFFAOYSA-N	351.082	3.462	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)cc1	5013925	PRWWVIIXPLUAHI-ZROIWOOFSA-N	368.389	3.267	50	40	FGGB	
O=C(N/N=C/c1cccc(I)c1)c1cccs1	5175727	HVMGZMQBHKKOOT-RIYZIHGNSA-N	356.188	3.117	50	40	FGGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1	7157995	CWBMUVJXVQJBBK-LSJBSSBFSA-N	353.466	3.125	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)c1ccccc1NC(=O)c1ccco1	6248861	CBARZOWIVOTDEE-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
Cc1ccc(C(=O)N[C@@H](NC(=O)c2cccs2)C(Cl)Cl)cc1	101425500	BBGZTRONIGLEED-ZDUSSCGKSA-N	357.262	3.346	50	40	FGGB	
COc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1OC	810616	VWORYYBFRUREMW-QGZVFWFLSA-N	367.430	3.004	50	40	FGGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccc(O)cc1	1410914	DPJODTGDTZAMRD-YRNVUSSQSA-N	359.179	3.406	50	40	FGGB	
C[C@@H](NC(=S)NNC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2	4741218	BXKFIVJQBUOHKO-HDPALTEOSA-N	363.552	3.462	50	40	FGGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(C2SCCCS2)cc1	9951014	OSIDAHSJNRHPLG-UHFFFAOYSA-N	374.487	3.336	50	40	FGGB	
COc1ccc2ccccc2c1[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	803732	HUXOEXDIKFJOJI-GOSISDBHSA-N	360.369	3.328	50	40	FGGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc2c1OCCO2	58915731	MLJRLWRULXLVIJ-VXLYETTFSA-N	362.838	3.354	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)N/N=C/c1ccccc1[N+](=O)[O-])c(C)n2C	5033434	JAJFVGQIMZYEJX-RGVLZGJSSA-N	366.377	3.167	50	40	FGGB	
COc1ccc(/C=C/C(=O)N/N=C/c2cc3cc(C)ccc3nc2O)cc1	409058407	OKXOCPOQUOSKMN-HUPFXJEZSA-N	361.401	3.421	50	40	FGGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(/C#N)C(N)=S)cc1	408544723	XCQFHKWTKCHIKX-GDNBJRDFSA-N	351.431	3.206	50	40	FGGB	
O=C(CCBr)N[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1	4277066	CRQRIMSNHPGUGR-AEFFLSMTSA-N	374.234	3.273	50	40	FGGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1cc(F)ccc1[N+](=O)[O-])C2	104669782	LCNOJUGTUHBZFU-ORGOAFBYSA-N	363.389	3.431	50	40	FGGB	
O=C(CCl)O/N=C1\C(=O)N(Cc2cccc(Cl)c2)c2ccccc21	1401166	INTIBRKYGVFJJR-SILNSSARSA-N	363.200	3.373	50	40	FGGB	
CCC[C@@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(Cl)c(C)c1	408952065	JUPNZCFYTRLXHY-CTFRJJSNSA-N	368.861	3.499	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1O	5539924	KRTCPBXSWDIOIA-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
CCCCNC(=O)/C(C#N)=C/c1cc(OC)c(OC(F)F)c(OC)c1	7165821	VVBMQPPXLSDANB-KPKJPENVSA-N	354.353	3.128	50	40	FGGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	83325286	SCVYTJKSCANPIH-ZVCOJXFSSA-N	361.785	3.212	50	40	FGGB	
Cn1cc(Br)c(C(=O)N/N=C/c2ccc3ccccc3c2)n1	1091974	YRKHHJNACYUAOV-GIJQJNRQSA-N	357.211	3.100	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	1241877	BEZAQEGHFGEKIG-YBFXNURJSA-N	355.419	3.469	50	40	FGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	5515139	SPSRRXXEUVPANA-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C/c1cccc(Br)c1	1054901	VUYVWJVOQBMFEK-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1Br	8812167	QZHHAIQLILWQMK-VXLYETTFSA-N	364.218	3.418	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1OC	3180939	AZNDNKFSBFGGOM-LZYBPNLTSA-N	369.240	3.292	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1	3236951	VHHFCNLUNQIBCS-LSHDLFTRSA-N	351.328	3.276	50	40	FGGB	
N#C/C(=C\c1ccc(O)cc1)S(=O)(=O)c1ccc(Br)cc1	13147911	TVVFCNQQZRBGPX-OQLLNIDSSA-N	364.220	3.493	50	40	FGGB	
CC[C@@H](C)c1ccc(NC(=O)C/C(C)=N/NC(=O)c2cnccn2)cc1	4690719	HPNWWLPEJARHSE-DZOGZAPRSA-N	353.426	3.125	50	40	FGGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccncc2)c1O	4721776	FPOIAQVRGVTMBQ-UFWORHAWSA-N	354.193	3.257	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(OC)c1	409232671	BCRSLLFEJHBGPN-AQTBWJFISA-N	350.418	3.360	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)cc1	40142926	KBQFXTWYZGBEMZ-UHFFFAOYSA-N	372.469	3.235	50	40	FGGB	
CCCCNC(=O)/C(C#N)=C1\N=C(NC(=O)c2ccccc2)c2ccccc21	5324685	WJZKIOTWRWSJOP-HNENSFHCSA-N	372.428	3.028	50	40	FGGB	
O=C(O)CSC/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccccc1	18191667	FQFUEAVBAVADDO-CYVLTUHYSA-N	362.838	3.292	50	40	FGGB	
COc1cccc(OC)c1/C=N/NC(=O)c1c(C)nc2ccc(Cl)cn12	408972100	QCKZSOKVVHMRRL-AWQFTUOYSA-N	372.812	3.077	50	40	FGGB	
Cc1nnc(SCC(=O)N/N=C/c2ccc(-c3ccccc3)o2)s1	4508786	VEPQAHGFFUBHLK-RQZCQDPDSA-N	358.448	3.349	50	40	FGGB	
O=C(N/N=C/c1ccco1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	4525735	PHNLRZXGUQWADB-FBCYGCLPSA-N	359.691	3.041	50	40	FGGB	
O=C(N/N=C\c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccco1	30738283	IERKSEDRPPDVLT-ZBKNUEDVSA-N	360.732	3.418	50	40	FGGB	
CC(C)(C)OC(=O)N1[C@@H](CCI)COC1(C)C	1772714618	XXQZNKZEVJOFQO-VIFPVBQESA-N	355.216	3.184	50	40	FGGB	
CCN(C(=O)COC(=O)/C(C#N)=C/c1ccc(OC)cc1)C1CCCCC1	12312125	FLDJZJOWORIAIK-GHRIWEEISA-N	370.449	3.327	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br	6215391	DRTBNBMEZLBJFW-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59334441	BNKQDITYJAMYJD-DHDCSXOGSA-N	368.393	3.006	50	40	FGGB	
CCOc1cc(C(=O)N/N=C(\C)c2cccnc2)cc(OCC)c1OCC	6487423	GHLJTDNJFDTASO-HYARGMPZSA-N	371.437	3.432	50	40	FGGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1	5965378	XYGQLXMWDANPRN-KRWDZBQOSA-N	373.416	3.479	50	40	FGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(C)o3)o2)c1	408726658	UNXIIKKPWMDCOE-RGVLZGJSSA-N	352.346	3.399	50	40	FGGB	
COc1cccc(C(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1	96669711	VHLPCKCXQRTEPV-ACAGNQJTSA-N	352.302	3.122	50	40	FGGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2cccc(C)c2)c1	408586401	BQZCBRXJSHCIGW-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
Cc1cc(OCC(=O)n2c(C)c(C(=O)NN)c3ccccc32)ccc1Cl	216750257	FDBYIBCXXOLDAR-UHFFFAOYSA-N	371.824	3.234	50	40	FGGB	
NNC(=O)c1cc(Br)ccc1OCc1ccc(F)cc1Cl	226319250	NPAIOWZJOQFDQG-UHFFFAOYSA-N	373.609	3.424	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc([N+](=O)[O-])c1O	96190087	MQUKYSLTNQHPHK-GRSHGNNSSA-N	369.333	3.209	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccnn1-c1ccccc1	253408924	YZEYWFHNOPEQCS-SFHVURJKSA-N	360.417	3.323	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)COc2ccc([C@@H](C)CC)cc2)cc1	12137116	LJCWSXBVNHCGBE-HNNXBMFYSA-N	370.449	3.439	50	40	FGGB	
C/C(=N/NC(=O)[C@H](C)Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2	19851068	UYJYPVRKIVNBBH-DTHVTWRFSA-N	367.405	3.391	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]	409226614	VMOMRMXAKUQPQF-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
Cc1cc(Br)ccc1NC(=O)CI	72226295	WWDZZXFGDAMQFW-UHFFFAOYSA-N	353.985	3.131	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	44028758	JSRYXKIRAACVGA-MKMNVTDBSA-N	367.357	3.231	50	40	FGGB	
CCOC(=O)C1=C(C)NC(O)=C(C#N)[C@@H]1c1cccc(Br)c1	20813001	KBIZEYCXXKGJAQ-AWEZNQCLSA-N	363.211	3.266	50	40	FGGB	
CCOC(=O)C1=C[C@@H]2C=C[C@@H]1[C@H]1[C@@H](Br)[C@@H](Br)[C@H]21	101048240	OBJRCCAIJCYYQE-OVDQFHLMSA-N	362.061	3.065	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])s1	881136	FSCVFFSNNMBVGD-FRKPEAEDSA-N	353.787	3.147	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC	13018903	LUIOXHZPGNUDQB-UHFFFAOYSA-N	372.465	3.071	50	40	FGGB	
COc1cc(/C=N/NC(N)=O)ccc1OCCCOc1ccc(C)c(C)c1	4588830	HZRIQBYUQXFCFO-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2cc(Cl)c(OC)cc2OC)cc1	408587443	FXEIMKJQLSOAGH-RGVLZGJSSA-N	362.813	3.059	50	40	FGGB	
O=C(CCNC(=O)c1ccccc1Cl)N/N=C\c1c[nH]c2ccccc12	83296020	CYNSPBUYWPNOPN-FMCGGJTJSA-N	368.824	3.092	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)c1	5219354	RDXPUKASBZNVBS-INIZCTEOSA-N	360.373	3.009	50	40	FGGB	
Cc1ccc(O[C@@H](C)C(=O)NNC(=O)COc2ccccc2C(C)C)cc1	12292648	ISACDSHCVVZEOO-INIZCTEOSA-N	370.449	3.112	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(Br)cc1	1054689	XCFYWTXLOFVWRT-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)COc2ccccc2C)c1	1801245	QZRFSSDUORRGDY-UHFFFAOYSA-N	370.449	3.032	50	40	FGGB	biogenic
Cc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1[N+](=O)[O-]	7894000	AFAWSHCIPPKSPX-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1OC	1054785	JFVSOZTVJGUDEQ-YDZHTSKRSA-N	363.417	3.419	50	40	FGGB	
O=C(NNC(=S)NC1CCCC1)C(c1ccccc1)c1ccccc1	1410821	NXYTUAQHLGFHIF-UHFFFAOYSA-N	353.491	3.256	50	40	FGGB	
CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	408831389	QPYDASYJBRATAT-RVDMUPIBSA-N	366.373	3.338	50	40	FGGB	
CCN1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12	4082796	DLPOGPNKULDLLF-UHFFFAOYSA-N	354.479	3.353	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(F)cc2)cc(Cl)c1O	409364081	VDCZIOISRJQOFY-ZVBGSRNCSA-N	365.792	3.146	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccccc1C#N	59333673	NHISBQZWTSTHOX-ZDLGFXPLSA-N	361.401	3.141	50	40	FGGB	
CN1/C(=C\C=N\NC(=O)c2ccc3c(c2)OCO3)C(C)(C)c2ccccc21	12561757	PILZGPXMENIQIQ-FVMSWMTASA-N	363.417	3.442	50	40	FGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)NC1CCCCC1	6203025	FSDYLTRQUBMZLX-UHFFFAOYSA-N	367.877	3.471	50	40	FGGB	
CC(C)COc1ccc(C(=O)NNC(=O)CCC(=O)c2cccs2)cc1	6510402	ZOWJOCUNFYBVOB-UHFFFAOYSA-N	374.462	3.207	50	40	FGGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)cs2)c1	4663343	DBCOELWDBUWHQJ-REZTVBANSA-N	352.257	3.381	50	40	FGGB	
CCOC(=O)/C=C(\C#N)c1cc(C)c(/C=C(/C#N)C(=O)OCC)cc1C	26779948	KXOKRTFZVPLIQD-LNCUELKESA-N	352.390	3.244	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2OC)cc1[N+](=O)[O-]	409269084	DUKWXIWXELTVSR-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	13922634	TXRBNFBNELJARE-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccccc2)c(C)n1NC(=O)c1ccccc1	8334517	QKLLWJYLYIAMHO-HYARGMPZSA-N	360.417	3.253	50	40	FGGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	4582435	HFQGOLQLZHSIEB-VCHYOVAHSA-N	369.337	3.147	50	40	FGGB	
COC(=O)c1c(NC(=O)CCl)sc(C(=O)Nc2ccccc2)c1C	871583	VISHAEDSQWXBGC-UHFFFAOYSA-N	366.826	3.273	50	40	FGGB	
Cc1ccc(C(=O)N[C@H](NC(=O)c2cccs2)C(Cl)Cl)cc1	101425498	BBGZTRONIGLEED-CYBMUJFWSA-N	357.262	3.346	50	40	FGGB	
C[C@H](Oc1ccccc1[N+](=O)[O-])C(=O)N/N=C/c1ccc(Cl)s1	2767715	OPIZWLHQZITVMS-VKPPLCHCSA-N	353.787	3.227	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2OC)OCO3)cc1	409105362	ITJMHDQIEUSSGS-RIYZIHGNSA-N	366.373	3.368	50	40	FGGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OC	1756375	ARPNIGPALYTRCJ-GOSISDBHSA-N	354.406	3.299	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)cc1	110495088	LTCRSCOHWDITKS-JIAPMROYSA-N	370.449	3.086	50	40	FGGB	
C/C(=N\NC(=O)CSCCc1ccccc1)c1ccc([N+](=O)[O-])cc1	408725425	GDSQHOSXMHVKPN-XMHGGMMESA-N	357.435	3.411	50	40	FGGB	
Cc1c(F)cc(C(=O)CBr)cc1I	169796535	HXKISPODHPAJNU-UHFFFAOYSA-N	356.960	3.316	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c(F)c1	5898932	YCYGSKGMIHMGJE-OEAKJJBVSA-N	350.397	3.452	50	40	FGGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cccc2c1OCCO2	58915928	MKDKIQFFWKIWKV-PVGUKEHMSA-N	356.447	3.230	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	1319367	XEXWSFSURATEEO-OMBDHMDGSA-N	356.422	3.443	50	40	FGGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)C(=O)NCc1ccco1	2256694	KHYFEXQDSMHUOD-XNTDXEJSSA-N	362.341	3.461	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)c(C)c1	7160161	YRECCLTZGUJNSH-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(C)cc1Cl	409053866	RFITYJVLHJAJBG-SRZZPIQSSA-N	374.824	3.354	50	40	FGGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1)C(N)=O	408865552	DBPQJOYGEYSALV-NTUHNPAUSA-N	357.753	3.219	50	40	FGGB	
O=C(OCc1ccccc1)N(C[C@@H]1CCCN1C(=O)CCl)C1CC1	79412081	LCAHHANGYRSPQO-INIZCTEOSA-N	350.846	3.017	50	40	FGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1cccc(F)c1	12576393	DPIZYLGYYYAUSA-UHFFFAOYSA-N	364.376	3.333	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2c(C)cccc2C)cc1	3238098	GNLDUGPTZYRMOM-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	aggregator
COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nnc2n1CCCCC2	12685892	YGFOXAIEEIIDPT-NTEUORMPSA-N	354.410	3.094	50	40	FGGB	
Cc1ccc(S(=O)(=O)NNC(=O)c2cc3c(s2)CCCCC3)s1	12750057	RFMGBRZWWPIXHN-UHFFFAOYSA-N	370.521	3.010	50	40	FGGB	
Cc1ccc(C(=O)N/N=C2\C(=O)Nc3c(C)cc(Br)cc32)cc1	5093921	VMJDJWLVCJXEPN-UHFFFAOYSA-N	372.222	3.152	50	40	FGGB	
O=C(COc1ccccc1/C=N\NC(=O)c1ccccc1)Nc1ccccc1	409254571	XSKWCOHAVCXSHN-HAHDFKILSA-N	373.412	3.468	50	40	FGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	1085480	HXMMQJFDPQZBSV-MKFNJMOCSA-N	353.334	3.259	50	40	FGGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1C(C)C	15423168	WVNHKRYMHHCSLE-ZDUSSCGKSA-N	355.276	3.428	50	40	FGGB	
COC(=O)/C(C#N)=C(\SC)[C@@H]1/C(=C(\C#N)C(=O)OC)C=C(C)CC1(C)C	16607117	GZWRAEXFDIVDSA-SWIUGTTHSA-N	374.462	3.286	50	40	FGGB	
CNC(=O)N(C)/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	33337451	QUORCTFADFRJCH-HIXSDJFHSA-N	372.428	3.362	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)N/N=C\c1cccc([N+](=O)[O-])c1)c(C)n2C	33335016	AGALBOMOZSQEGC-JAIQZWGSSA-N	366.377	3.167	50	40	FGGB	
COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(C)cc2)cc1	5544567	KJHXUHFMLFIIOA-PXLXIMEGSA-N	353.422	3.067	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OC	6945234	GBOFIWBAWNBSMF-QGOAFFKASA-N	350.418	3.360	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1cc(C)ccc1C	8733139	UQMUWTYGHKBQSU-ZDUSSCGKSA-N	355.276	3.312	50	40	FGGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C1\C(=O)Nc2ccccc21	59474287	JCDVUWHSFSFMDZ-JTQLQIEISA-N	359.838	3.293	50	40	FGGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1	3454247	LJBPJQSBHCXUBL-UHFFFAOYSA-N	353.205	3.006	50	40	FGGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2)ccc1O[C@@H](C)C(=O)O	409018644	HYBIQNJRBMAKAY-GHOUAXAESA-N	371.393	3.011	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC	408831709	OZPVZAJWIHXCOJ-UDWIEESQSA-N	371.393	3.465	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCC#N	409051622	FGYQGSGYKSPQEQ-SRZZPIQSSA-N	357.797	3.323	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@@H]2C1	33936231	MUDMBGZDEAGYCP-MSOLQXFVSA-N	363.852	3.085	50	40	FGGB	
COc1cc(N2C=C(C#N)S(=O)(=O)c3ccccc32)cc(OC)c1OC	38487970	QPXSKNKTMIIEOK-UHFFFAOYSA-N	372.402	3.003	50	40	FGGB	
C#CCOc1ccc(OC)cc1/C=N\NC(=O)Cc1ccc(C)cc1C	216039157	DIBBQUZZQCXINF-HMAPJEAMSA-N	350.418	3.017	50	40	FGGB	
O=C(N/N=C/c1ccc(O)c2ncccc12)c1cccc(Br)c1	1426549	GKUPVDUJJGVFGI-KEBDBYFISA-N	370.206	3.467	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	825383	ZBYWJKSBSAPLGD-UHFFFAOYSA-N	353.422	3.054	50	40	FGGB	
O=C(c1ccccc1)N1C[C@H]2C[C@H](Br)[C@@H]1[C@@H]2Br	3120752	DKFDXPLRTDNFPL-WRWGMCAJSA-N	359.061	3.058	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)cc1OCC	6964179	IAKZQVFDCCHMKF-NIZGNDASSA-N	351.406	3.241	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)Nc3ccc(Cl)cc3)ccc21	3199710	AYJAKCXTRZBMTI-UHFFFAOYSA-N	371.828	3.485	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)c(C)c1	13955332	CGJHACHQNJQKTJ-GRJRDJAOSA-N	353.378	3.406	50	40	FGGB	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(F)c(Br)c1	7364627	KCTQYFIGHHRHOA-OAHLLOKOSA-N	360.186	3.389	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)Nc1ccccc1F	408810126	JXMACZMSFYVRLF-QBOMHBFWSA-N	362.364	3.253	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1ccc(N(C)C)cc1	408740501	LDHJINCRHGUZGT-OEAKJJBVSA-N	361.449	3.319	50	40	FGGB	
Cc1cc(O[C@@H](C)C(=O)NNC(=O)c2ccccc2F)ccc1C(C)C	40140319	XYTMWBYGWRJGSI-AWEZNQCLSA-N	358.413	3.486	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)c2cc(-c3ccco3)nc3ccccc23)n1	40051453	LPXITBHIWFEGGE-UHFFFAOYSA-N	372.384	3.273	50	40	FGGB	
O=C(CCSc1ccc(Cl)cc1)NNC(=O)c1ccccc1F	2623232	SVCVGMUKQGLQHS-UHFFFAOYSA-N	352.818	3.423	50	40	FGGB	
CCOc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(O)cc1)OCO2	107646377	YYSDTYDKYGVIIJ-QPEQYQDCSA-N	352.346	3.065	50	40	FGGB	
O=C(C[C@@H](c1ccccc1)N1C(=O)c2ccccc2C1=O)OCCCl	12651885	BDPLVRYLXMXINT-INIZCTEOSA-N	357.793	3.196	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccccn2)cc1OC	5130155	NNIJETMDBTWCID-HADWXUJASA-N	371.462	3.286	50	40	FGGB	
COc1ccc(CC(=O)N/N=C\c2ccc(N3CCCC3)c(F)c2)cc1	409087776	JZJDOVSRVDSAJJ-HMAPJEAMSA-N	355.413	3.127	50	40	FGGB	
CCNC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1	8429364	LURRMTCKDNXVOA-UHFFFAOYSA-N	361.467	3.289	50	40	FGGB	
CC[C@@H](C)c1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1	14198178	BPAHMOWJIWVAJW-CYBMUJFWSA-N	371.462	3.305	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCC#N)cc2c1	409187742	UHWBMUHOIKJOEL-XKZIYDEJSA-N	363.373	3.498	50	40	FGGB	
O=C(CBr)Nc1cccc(C(=O)Nc2ccc(F)cc2)c1	35605397	RIQPODNTBFSMRH-UHFFFAOYSA-N	351.175	3.411	50	40	FGGB	
CCOC(=O)c1[nH]c2c(c1C)/C(=N/NC(=O)c1cccnc1)CC(C)(C)C2	60684455	LSFFUHOXVUYISJ-HZHRSRAPSA-N	368.437	3.001	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@@H](c1ccco1)C(C#N)=C(N)O2	2440732	RFUPTCVTZGDOFX-GOSISDBHSA-N	359.385	3.016	50	40	FGGB	
COc1cc(/C=C(\C#N)c2cc(OC)c3c(c2)OCO3)cc2c1OCO2	66091382	WNBDUQGJIALJLZ-QLKAYGNNSA-N	353.330	3.225	50	40	FGGB	
Cc1cccc(OCC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1C	7689057	ARNGKHJWLBQEOX-UHFFFAOYSA-N	370.493	3.436	50	40	FGGB	
N#C/C(=C/c1cccn1-c1cccc([N+](=O)[O-])c1)C(=O)NC1CCCC1	409191425	HCTQQNJGKJITOK-KAMYIIQDSA-N	350.378	3.351	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Br)s2)c1	8339247	ZWKDSXJZEDPJMM-LZYBPNLTSA-N	369.240	3.292	50	40	FGGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)c1	3147962	LLUGTSRXOMXQSB-VXLYETTFSA-N	374.238	3.155	50	40	FGGB	
O=C(N/N=C/c1sc2ccccc2c1O)c1cc(=O)[nH]c2ccccc12	5387708	HZAYUQRENIVYEJ-KEBDBYFISA-N	363.398	3.212	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)[nH]n1	4579804	ASROJTGNIUTDJD-WSDLNYQXSA-N	357.417	3.485	50	40	FGGB	
Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)C(C)(C)O)cc1	32578374	ZVUJCBWCCDMJCL-SRZZPIQSSA-N	360.841	3.448	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CC(N)=O)c3ccccc23)cc1C	33343724	YJQJWTSNHOPSMS-YBEGLDIGSA-N	372.428	3.289	50	40	FGGB	
Cc1cc(NC(=O)C(=O)NNc2c(Cl)cc(Cl)cc2Cl)no1	40143087	GUHOJAJGZBLPTK-UHFFFAOYSA-N	363.588	3.025	50	40	FGGB	
CCOC(=O)[C@H](CC)C(C)=NNC(=O)c1cccc(Br)c1	245232649	ZHWKHAAJKAQVLB-CYBMUJFWSA-N	355.232	3.144	50	40	FGGB	
O=C(NNC(=O)c1sccc1-c1ccc(F)cc1)c1ccccc1O	58227951	QTPVETKQZISSHJ-UHFFFAOYSA-N	356.378	3.335	50	40	FGGB	
C/C(=N/NC(=O)[C@H]1COc2ccc(C(C)(C)C)cc2O1)c1ccccc1O	101444461	MRAJSFKPCNEIJP-UUMRFZBWSA-N	368.433	3.370	50	40	FGGB	
Cc1ccc(C(=O)N[C@H](NC(=O)Cc2ccccc2)C(Cl)Cl)cc1	101425544	YOMNFJYJOHFFSA-KRWDZBQOSA-N	365.260	3.214	50	40	FGGB	
O=C(N/N=C\C=N\NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1	2860088	DSECNHWLHPYBKD-NORIJPHCSA-N	363.204	3.125	50	40	FGGB	
CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C	103918421	ASDBNTYBMWDZBV-AQTBWJFISA-N	360.433	3.269	50	40	FGGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccnc(NC2CC2)c1	58423510	VUEJFBKEJVHQNU-UHFFFAOYSA-N	368.481	3.023	50	40	FGGB	
CC(C)N1C(=O)/C(=N\NC(=O)c2cc3ccccc3cc2O)c2ccccc21	13141929	VTUDMGXEAPYACS-ATJXCDBQSA-N	373.412	3.435	50	40	FGGB	
Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1ccc(OCC(C)C)cc1	408733920	RSDHCMHUYDZMPK-WSDLNYQXSA-N	367.449	3.427	50	40	FGGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc(NC(=O)c2ccccc2)cc1	5621234	QOZTYSLJPMUWLD-BUVRLJJBSA-N	358.401	3.488	50	40	FGGB	
CCOc1ccc(CCCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	5873006	CEUQLEBAXSMJRE-XSFVSMFZSA-N	355.394	3.467	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1OC	716834	AGIBZIWVFLBIKF-VXLYETTFSA-N	371.418	3.087	50	40	FGGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(OCCOC)cc2s1	20132438	HMZUMHURFNHMID-JTQLQIEISA-N	373.272	3.434	50	40	FGGB	
Cc1nc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)nc(C)c1C	8752021	VOHBJCNMIJBKNI-UHFFFAOYSA-N	351.435	3.336	50	40	FGGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c1	2855292	SCONTOBWNUYZAL-XNTDXEJSSA-N	366.373	3.094	50	40	FGGB	
COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc2c1OCO2	100383404	FLOQSBGFOSTNJS-PQMHYQBVSA-N	372.384	3.432	50	40	FGGB	
O=C(NN=C1c2ccccc2-c2ccccc21)[C@H]1COc2ccccc2O1	3213235	VADJZCLAGVOYPE-HXUWFJFHSA-N	356.381	3.376	50	40	FGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccnc2)C(C#N)=C(N)O3)cc1	5051864	NJXHWPINFJBNAY-INIZCTEOSA-N	359.389	3.089	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)c2n[nH]c3c2CCc2ccccc2-3)cc1	18148642	GHCOCGQJRXDPBG-LPYMAVHISA-N	359.433	3.005	50	40	FGGB	
Cc1ccc(O)c(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1	408527660	GDUWRJXTDLULEY-LSFURLLWSA-N	351.328	3.282	50	40	FGGB	
CS(=O)(=O)c1ccc2nc(/N=C(O)/C(C#N)=C/c3ccco3)sc2c1	41120824	LOYIAYWJAKHXKO-JXMROGBWSA-N	373.415	3.488	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccc(Cl)cc1	96563318	OKYAKKOFKJXAOV-HNNXBMFYSA-N	362.772	3.481	50	40	FGGB	
O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1	2570660	JUADEFBKMCJLCA-UHFFFAOYSA-N	374.775	3.385	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)NN=Cc1ccccc1[N+](=O)[O-])c(C)n2C	252679175	JAJFVGQIMZYEJX-UHFFFAOYSA-N	366.377	3.167	50	40	FGGB	
C[C@@H]1CCc2sc(C(=O)NNC(=S)N[C@H]3C[C@@H]4CC[C@@H]3C4)cc2C1	102971508	OGPMJXQUTHSNCF-BYNQJWBRSA-N	363.552	3.170	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1OC	59447252	MVUNCWWNGFVCOM-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(N)cc1	3525570	ZGHPVHGGOHDCTM-SSDVNMTOSA-N	367.840	3.239	50	40	FGGB	
O=C(CSc1cccc(C(F)(F)F)c1)NNC(=O)c1ccccc1	5077934	UFVHILLXIUZRKL-UHFFFAOYSA-N	354.353	3.259	50	40	FGGB	
CN(NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1)c1ccccc1	65522429	GTBZLVIWNBSSNZ-UHFFFAOYSA-N	359.735	3.457	50	40	FGGB	
N#C/C(=C/c1ccc(Br)o1)C(=O)Nc1cccc(C(=O)O)c1	408542470	LRYSLDWUDUPMEV-YFHOEESVSA-N	361.151	3.286	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	5769852	RZOVASCFUODFLV-UHFFFAOYSA-N	362.857	3.083	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2O)cc1OC	6441267	IFKIMBNKGZJIRJ-JAIQZWGSSA-N	360.797	3.383	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1c(O)cc(C)oc1=O	102237135	ZNQKKFQXYHROAA-HYARGMPZSA-N	362.385	3.475	50	40	FGGB	
COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	6628127	NTPPAXMUAPPEDZ-AWEZNQCLSA-N	364.401	3.077	50	40	FGGB	
CCCNNC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2317092	ASQLTXGPEVGSEL-UHFFFAOYSA-N	353.249	3.260	50	40	FGGB	
O=C(CSCc1ccc(Cl)cc1)NNC(=O)Cc1ccc(F)cc1	12861056	QONZLSAQCFCOTO-UHFFFAOYSA-N	366.845	3.102	50	40	FGGB	
CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NCc2ccccn2)cc1	6519289	ISEDCLNDHOHOIP-GZTJUZNOSA-N	357.417	3.257	50	40	FGGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccc2c(c1)OCO2	32519857	VSEPJTKGNSNXCT-LSCVHKIXSA-N	371.443	3.267	50	40	FGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	408745673	OENGJXCDDMVNNL-VBKFSLOCSA-N	362.385	3.261	50	40	FGGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(Br)cc1	83325803	AMVJDENPZCUFBL-QUYZQLMHSA-N	361.239	3.413	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(O)c(OC)c2)cc1	193794752	AIOXPTSDXHFMHO-AUWJEWJLSA-N	372.808	3.286	50	40	FGGB	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C/C(=N/NC(N)=O)c1ccccc1	4267078	SQVJKDBXGKCJLD-MSXIAWEVSA-N	359.470	3.453	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccccc1	4355204	DGNUDSPUFFTFEI-UHFFFAOYSA-N	364.796	3.226	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1	1319910	SIMBQLDLMYDEKC-OMBDHMDGSA-N	356.422	3.443	50	40	FGGB	
CCCCC(O)(CCCC)C(=O)NN(C(=O)CCl)c1ccccc1	2353448	XBDPOTMSYWVHJN-UHFFFAOYSA-N	354.878	3.401	50	40	FGGB	
C/C(=N\NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1	408719995	QYBRVMZQXDPUSF-LDADJPATSA-N	359.407	3.074	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)o1	409060261	YYHDXJULEBAZOR-LPYMAVHISA-N	374.356	3.419	50	40	FGGB	
O=C(COc1cccc2cccnc12)N/N=C/c1ccc(Br)o1	409000959	ZGLLACAXBGQVFV-DJKKODMXSA-N	374.194	3.119	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	1195449	GTBBOZKSYQJGIM-SFQUDFHCSA-N	364.401	3.483	50	40	FGGB	
C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)c1cccc(Cl)c1	6585523	UAVCFTHFJFZUSM-JTQLQIEISA-N	353.205	3.222	50	40	FGGB	
C=CCOc1c(I)cc(C=C(C#N)C#N)cc1OC	2058181	KDGHHXVICIXNGS-UHFFFAOYSA-N	366.158	3.295	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2)cc1	4523353	UZIILFHBXHXBGO-MNDPQUGUSA-N	365.414	3.149	50	40	FGGB	
CCn1c(NNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)nc2ccccc2c1=O	14246899	DXFSFRKOVVQQNR-HOCLYGCPSA-N	354.454	3.098	50	40	FGGB	
O=C(NNC(=O)c1ccc(Br)s1)c1cccc(Cl)c1	6833197	PKTJWAVUJXGGOG-UHFFFAOYSA-N	359.632	3.239	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OCC	8846201	FYQPILICNSFDGL-LJQANCHMSA-N	351.406	3.284	50	40	FGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccccc1OC)c1ccccc1	408980667	SBJXJDGLMRRBKV-JPOGYNCRSA-N	369.421	3.023	50	40	FGGB	
CCN(CC)C(=O)/C(C#N)=C\c1cc(Br)c(N2CCCC2)o1	408855064	CZHXXULTZMRUDF-XFXZXTDPSA-N	366.259	3.418	50	40	FGGB	
O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(Cl)cc1[N+](=O)[O-]	1722163	UEMCUXIJCJQLKH-KEBDBYFISA-N	356.769	3.422	50	40	FGGB	
C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	6455019	HRMOVGKADLHMSC-GDBMZVCRSA-N	369.490	3.159	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1cccc([N+](=O)[O-])c1	6962033	LUGRFCVLIHMVJJ-OQLLNIDSSA-N	350.378	3.188	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccnc1	2792907	APWGGMXGNGUZNK-UFFVCSGVSA-N	369.764	3.457	50	40	FGGB	
CC(=O)NN(C(=O)c1ccc(C)cc1)c1oc(-c2ccccc2)nc1C#N	27026367	YCEHLLFHKKUCGI-UHFFFAOYSA-N	360.373	3.220	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)CSc2cccc3cccnc23)c(C)c1	12758510	ULFOMNNKRATCGO-UHFFFAOYSA-N	365.458	3.405	50	40	FGGB	
COc1ccccc1/C=C/C(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	3431118	AZIZILPTAWIKCT-AORWBKJGSA-N	370.474	3.356	50	40	FGGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)OC)cc2)c1	1194978	KJRHRCKSCZEUBD-LFIBNONCSA-N	350.374	3.418	50	40	FGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	6327961	ODKUISRZDGLIJQ-SRZZPIQSSA-N	374.824	3.434	50	40	FGGB	
Cc1nn(C)c2nc(C(C)C)cc(C(=O)NNc3ccccc3[N+](=O)[O-])c12	32901297	XAOPRBTZETZACL-UHFFFAOYSA-N	368.397	3.065	50	40	FGGB	
O=C(N/N=C/c1cc(Br)c(O)c2ncccc12)c1ccco1	59459142	YIPVXPTXXYDOLL-QGMBQPNBSA-N	360.167	3.060	50	40	FGGB	
C/C(=N\NC(=O)CSCCc1ccccc1)c1cccc([N+](=O)[O-])c1	408728130	VXNGLWCOQHOSGE-XMHGGMMESA-N	357.435	3.411	50	40	FGGB	
COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2ccc(C)cc2Cl)c1O	4815550	KBQNMPDJRVJWMQ-QGMBQPNBSA-N	363.757	3.035	50	40	FGGB	
COc1ccc(C(=O)N/N=C\c2cc(Cl)c(O)c(Cl)c2)cc1OC	409312518	LMWRSMVJYQOQKC-UWVJOHFNSA-N	369.204	3.480	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1)[C@@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532846	QJWJOGIDEDKLIN-DDQAZAJHSA-N	374.396	3.424	50	40	FGGB	
CCc1sc(C(=O)N/N=C/c2cnn(CC)c2F)cc1Br	252481544	CNSXWYGYKPEPOU-OMCISZLKSA-N	373.251	3.192	50	40	FGGB	
COC(=O)/C(C#N)=C1/C=C(C/C(SC)=C(/C#N)C(=O)OC)CC(C)(C)C1	5482178	WHYHZTKLUPUBBH-DHEZTBRESA-N	374.462	3.430	50	40	FGGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1nccs1)[C@H](Br)C2=O	100868218	XQINMRULNBSVAS-ULOPGQLASA-N	357.273	3.241	50	40	FGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OC1CCCC1	12953821	JONLIPGJFKHYKK-SFHVURJKSA-N	366.421	3.266	50	40	FGGB	
COc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])cc(Cl)c1OC	15502647	BRMBOWZRTHXSJX-UHFFFAOYSA-N	351.746	3.022	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408963167	XOPSPRNJOCSUII-YBFXNURJSA-N	352.350	3.171	50	40	FGGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1cc(OC)ccc1O	1453981	LJFAUJIRNXUFOX-GXDHUFHOSA-N	366.373	3.123	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCC(=O)O	12462808	UOGNEBFJGKVWPP-DHDCSXOGSA-N	366.373	3.013	50	40	FGGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1	6345787	ORDHNXOZAGHRND-UFFVCSGVSA-N	368.324	3.340	50	40	FGGB	
C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1cccc(O)c1	4402070	MXRBDRWNVVDQBA-SRZZPIQSSA-N	359.813	3.489	50	40	FGGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccccc1F	7782377	JGPIQTOQRBBUDU-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1Br	23410337	UXSOZQANWKERPN-LCYFTJDESA-N	362.271	3.481	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C/c2cccs2)c(=O)n(-c2ccccc2)n1C	1452653	JJULCDXAMBIBHJ-SDNWHVSQSA-N	364.430	3.092	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)c2ccccc2Br)c1O	3572262	MOOZMGGNBKHYEZ-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
COc1ccccc1-n1nnc(C(=O)Nc2ccc(SC#N)cc2)c1C	4938640	LVGZBTAUSYNKDQ-UHFFFAOYSA-N	365.418	3.410	50	40	FGGB	
Cn1c(SCC(=O)N/N=C/c2c[nH]c3ccccc23)nc2ccccc21	1306551	PEJRKYIPTYKZOM-SRZZPIQSSA-N	363.446	3.297	50	40	FGGB	
CC1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC1	100749552	BWDCQGOQXIOZPI-DQYPLSBCSA-N	356.304	3.404	50	40	FGGB	
CSc1nc(C)cc(SCC(=O)N/N=C(\C)c2ccc(C#N)cc2)n1	4784587	ZEULNGDSQJRPPD-CIAFOILYSA-N	371.491	3.011	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)COc2cccc3cccnc23)cc1	408760191	UEBGCMNAVBNESY-CIAFOILYSA-N	351.431	3.486	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)c(C)c2)cc1[N+](=O)[O-]	408566029	CYEIEWIAVAZZOY-XSFVSMFZSA-N	355.394	3.303	50	40	FGGB	
C#CCOc1ccc(Cl)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	409133923	UYSCMQSKWSHPBU-KRWDZBQOSA-N	354.793	3.167	50	40	FGGB	
O=C(Cc1ccccc1Cl)NNC(=O)c1ccc(Br)cc1	6401849	PIGCJRWZKPBJOX-UHFFFAOYSA-N	367.630	3.106	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)cc2OC)cc1	6549890	UYEVMCNGUCADLS-NTEUORMPSA-N	368.389	3.267	50	40	FGGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C\c1cc(Br)ccc1O	54235242	UXJOVLPNUICFPN-TZQXVGBESA-N	363.211	3.072	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59334442	WAJRGSSZLVYYAA-DHDCSXOGSA-N	368.393	3.006	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1	59302475	YTKIYMGRCYGGEZ-HNDQUVLASA-N	350.374	3.393	50	40	FGGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NCc1cccnc1	26966285	YQDCJEWSPYTLEZ-MHWRWJLKSA-N	374.356	3.473	50	40	FGGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1cccc(Cl)c1	12931602	RVTIEOSZMMIAOD-UHFFFAOYSA-N	374.849	3.045	50	40	FGGB	
COc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)c(OC)c1OC	7748229	PFEJDVNBWJPMPD-SDNWHVSQSA-N	354.410	3.094	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2cccc(Br)c2)c(OC)c1	13381987	NXMRWFAUKUOPRV-ZDLGFXPLSA-N	363.211	3.230	50	40	FGGB	
Cc1ccc(OCCn2cc(/C=N/NC(N)=O)c3ccccc32)cc1C	4083309	AAWBAXCBXRFOTH-WSDLNYQXSA-N	350.422	3.339	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1)c1ccc(O)cc1	4525813	RFZFZVFQHPGCPL-PXLXIMEGSA-N	353.422	3.268	50	40	FGGB	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc4c(c3)OCO4)[C@H]2C1	4631525	JSPXAEVOLADDRD-XFHNUULXSA-N	358.401	3.255	50	40	FGGB	
COc1cccc(/C=N/NC(=O)COc2cc(Cl)ccc2Cl)c1O	4724163	QQVWREVGPZIOIU-UFWORHAWSA-N	369.204	3.237	50	40	FGGB	
C/C(=N\NC(=O)Cn1cnc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1	6831629	TWSNPINIAOZMOI-RGVLZGJSSA-N	371.784	3.138	50	40	FGGB	
COc1ccc(-n2nnc(C(=O)Nc3ccc(SC#N)cc3)c2C)cc1	4938646	OFOFCOSHVKGDDQ-UHFFFAOYSA-N	365.418	3.410	50	40	FGGB	
CNc1nc(C)nc(Cl)c1C[C@@H](Br)CBr	95890504	WNYQCYJYKZEAKU-ZCFIWIBFSA-N	357.477	3.181	50	40	FGGB	
O=C(N[C@@H]1CCCC[C@H]1N(C(=O)CCl)C1CC1)OCc1ccccc1	79392785	KIJJMGLKGMQRTM-IAGOWNOFSA-N	364.873	3.454	50	40	FGGB	
CC[C@@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1	40068958	DNINOZQILROIHW-MRXNPFEDSA-N	371.437	3.108	50	40	FGGB	
Cc1ccccc1OCn1ccc(C(=O)N/N=C/c2ccc(F)s2)n1	252494913	OHUZRKMZHJAGDJ-VXLYETTFSA-N	358.398	3.193	50	40	FGGB	
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)OCC)cc1OC	11284647	HYGNZXIIBJMHFR-KPKJPENVSA-N	366.211	3.493	50	40	FGGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nn(-c2ccccc2)c(N)c1C#N	6344858	YTMKDALSOJWLMN-GXDHUFHOSA-N	356.345	3.299	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)NC1CCCC1	4980124	MYKYIXIHBHYZLQ-JAIQZWGSSA-N	359.813	3.109	50	40	FGGB	
CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)NC2CCCC2)c1C	1439764	MYZXAFXTQVYMMZ-UHFFFAOYSA-N	372.874	3.083	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1	59515244	FRAYVGAVUYRTEI-FYJGNVAPSA-N	353.422	3.444	50	40	FGGB	
O=C(Cn1c(=O)oc2ccccc21)NN=C(c1ccccc1)c1ccccc1	10129761	AOHTYGJGTQTSNZ-UHFFFAOYSA-N	371.396	3.163	50	40	FGGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)cc1	98086546	CBHCKHKGEUPPTI-WOJGMQOQSA-N	353.399	3.352	50	40	FGGB	
CC(/C=N\NC(=O)C(=O)N/N=C\C(C)=C\c1ccccc1)=C/c1ccccc1	73062464	DDWMYLDFCXXFJT-DKODAKQDSA-N	374.444	3.397	50	40	FGGB	
COc1ccc(OC)c(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c1	38654607	XWJIRCFISDLKEQ-UHFFFAOYSA-N	360.366	3.133	50	40	FGGB	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C(=O)NC2=O	85879421	HDAIXNAFVRBPQN-LLVKDONJSA-N	350.465	3.223	50	40	FGGB	biogenic
CC(C)/C=C(\C#N)C(=O)N1CC[C@]2(CCCO2)[C@H](OCc2ccccc2)C1	585288905	BPARNFPTLPGHHP-ZZFKQEHHSA-N	368.477	3.459	50	40	FGGB	
C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(C(C)(C)C)cc1	994185	CULWJOJITYRFFZ-XDHOZWIPSA-N	357.414	3.203	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC	5661855	UFYZHJJCDCRYMK-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(NC(=O)c2ccco2)cc1	6334166	CVKUFXYYUKQEJW-CIAFOILYSA-N	351.337	3.435	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccccc1Cl	20086686	MOWADGKXXSOXSS-OAHLLOKOSA-N	362.772	3.481	50	40	FGGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)C(=O)Nc1cccc(Cl)c1	7813123	YSOIHSUPCHLJNK-SRZZPIQSSA-N	367.792	3.288	50	40	FGGB	
CC(C)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C)C[C@@H]32)cc1	20026580	RZZPFYJDTQFYDP-ICSRJNTNSA-N	357.461	3.165	50	40	FGGB	
COC(=O)c1cccc2[nH]cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c12	44920284	DNJSCLDTGUBJKB-FOWTUZBSSA-N	373.412	3.220	50	40	FGGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccc(Br)cc1	6221430	ZUXQHSQKPXIKQU-UHFFFAOYSA-N	367.630	3.106	50	40	FGGB	
Cn1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21	408781937	DGQKSNXXCIIORD-SDXDJHTJSA-N	370.456	3.434	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N\NC(=O)c1cccs1	409107788	TUOQIOVKDBQIML-UNOMPAQXSA-N	359.451	3.129	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1C(=O)O	409173557	JVOQBPCUSFKJER-MHWRWJLKSA-N	350.374	3.007	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccccc1O	33305058	YGUCOXZSJWKVMV-JMIUGGIZSA-N	369.308	3.463	50	40	FGGB	
O=C(CCCCCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@@H]12	12363002	SXKAAWNQVZBUID-LYFZMYHJSA-N	368.481	3.073	50	40	FGGB	
COc1ccc(OC)c(/C(C)=N\NC(=O)Cn2ccc3ccccc32)c1	4676111	IJNPCVLXJXJHOR-STZFKDTASA-N	351.406	3.199	50	40	FGGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)OCCCO1	714416	KTXKNJZRSYWDPM-KGENOOAVSA-N	356.422	3.232	50	40	FGGB	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccc(Br)cc1	104214258	SQPCBRCWVVSFLZ-WCFLWFBJSA-N	351.244	3.036	50	40	FGGB	
CN(C)c1cccc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1	28581692	COHFFEFXJRRNLC-UHFFFAOYSA-N	357.479	3.158	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)COc2c(C)cccc2C)cc1[N+](=O)[O-]	5343714	HJVGXGDKMUGCJQ-XSFVSMFZSA-N	371.393	3.139	50	40	FGGB	
CCc1ccc2[nH]c(C)c(CC(=O)NNC(=O)Cc3cccs3)c2c1	4588041	NDNZQMBZJAYAIW-UHFFFAOYSA-N	355.463	3.033	50	40	FGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(C(C)C)cc1	408603767	HDPJNBCHXSXASE-INIZCTEOSA-N	368.462	3.368	50	40	FGGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(Br)o2)c1	408994596	ICSVXISCKGHCNG-NVMNQCDNSA-N	365.227	3.442	50	40	FGGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1O[C@H](C)C(=O)O	4113189	MTKWGDDERGJTLU-OJLMPMFISA-N	363.373	3.488	50	40	FGGB	
Cc1ccc(O[C@@H](C)C(=O)N/N=C/c2ccncc2)c(Br)c1	943561	NQZSJCAJQMVUJS-NJDFMEINSA-N	362.227	3.070	50	40	FGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccco1	3014021	GKGAJUGXNJROTA-OMNSNBSWSA-N	361.401	3.291	50	40	FGGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(Br)cc1	59516174	PBUPLCOMEUCBDV-LZYBPNLTSA-N	363.240	3.231	50	40	FGGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(-n2cnnn2)cc1	6252077	YLQZVNMORNHGRG-UHFFFAOYSA-N	360.421	3.106	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccs2)c(OC)c1	4504525	SUNWHQNZDIDYTH-UKTHLTGXSA-N	357.387	3.446	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2C(C)(C)C)ccc1O	4724391	RJQJMQMCYYBPMI-CIAFOILYSA-N	356.422	3.227	50	40	FGGB	
CC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	15792506	WCPGLRBUDZAWRS-UHFFFAOYSA-N	357.460	3.370	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1Br	408744136	YVVSKJWJUMDHFB-YBFXNURJSA-N	360.211	3.173	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1ccc(N(C)C)cc1	408739838	GBISBVMPYGRIGI-OEAKJJBVSA-N	361.449	3.319	50	40	FGGB	
N#C/C(=C/c1ccc(O)cc1O)C(=O)Nc1cccc(Br)c1	408766068	OJPRKUQLWNWYIA-WDZFZDKYSA-N	359.179	3.406	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc([N+](=O)[O-])ccc1O	409039625	CUDBJJUYTYITIG-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccncc2)sc(C)c1C	2708561	YSUMSCOIZOGGJV-NTEUORMPSA-N	355.419	3.482	50	40	FGGB	
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1C	102090802	OBQOLLMBJVIVHU-KRWDZBQOSA-N	356.381	3.444	50	40	FGGB	
COc1ccc2c(c1)c(/C=N/NC(=O)CC#N)c(C)n2Cc1ccccc1	3018324	YXYJXOCFVOYAEP-YDZHTSKRSA-N	360.417	3.370	50	40	FGGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1O	36079827	CDQKEGYSIAMJEL-SRZZPIQSSA-N	364.361	3.016	50	40	FGGB	
O=C(NN[C@H]1OC(=O)c2ccccc21)c1cc2ccc3ccccc3c2[nH]1	2432018	RUSIHVDNAGHTID-FQEVSTJZSA-N	357.369	3.425	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)c1	408906638	CPOSMGQGKHHUCW-DEDYPNTBSA-N	355.394	3.385	50	40	FGGB	
Cc1cccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)c1	408588198	IHEAXVPYFUHSIQ-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
C=C(C)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)[C@H](C(=O)OC)C(=O)N1	40486377	IKPFYZROWPMKKJ-CVEARBPZSA-N	356.447	3.042	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1	1470145	QJWJOGIDEDKLIN-FVSHYKRFSA-N	374.396	3.424	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(OC)c1O	6126805	XASNYECIBIDDDV-UFWORHAWSA-N	369.204	3.480	50	40	FGGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	409211911	OONICVATPHBRCS-CAOOACKPSA-N	365.798	3.196	50	40	FGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(C)cc1)c1ccccc1	408976296	AKQACWJMOBHZTE-ALDSOSFCSA-N	353.422	3.323	50	40	FGGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1C	408814960	QVBJTZOXKJUEEX-GNKPEBMXSA-N	355.394	3.311	50	40	FGGB	
C/C(=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)OC(C)(C)C	409341537	DLGMZSBXKPAGOQ-AATRIKPKSA-N	368.249	3.322	50	40	FGGB	
Cn1cccc1/C=N/NC(=O)COc1ccc(C2SCCS2)cc1	408570178	SMARDMIQQIEMDL-WOJGMQOQSA-N	361.492	3.033	50	40	FGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1	1085482	HXMMQJFDPQZBSV-ZGXHQARYSA-N	353.334	3.259	50	40	FGGB	
CCc1cc2ccccc2nc1SCC(=O)NNC(=O)c1ccccc1	5928895	GEWUAJKLUDGDQJ-UHFFFAOYSA-N	365.458	3.351	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Br)cc2)cc1C	5546562	JPWXEMKULOBGRD-VXLYETTFSA-N	374.238	3.155	50	40	FGGB	
Cc1cc(C)c2nc(NNC(=O)c3ccc4c(c3)OCCO4)sc2c1	5025721	OEGTXHARWNZXJH-UHFFFAOYSA-N	355.419	3.441	50	40	FGGB	
CC(C)(C)OC(=O)NNC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2	102364963	NEGYEHCGDJLVTC-CHISNJGVSA-N	373.291	3.276	50	40	FGGB	
CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1	100177886	ITSMRJVDAHYVCB-IYBDPMFKSA-N	352.862	3.311	50	40	FGGB	
O=C(CCCCC(=O)OC[C@@H](Cl)CCl)OC[C@@H](Cl)CCl	104328380	GRFQNAGYTWIYHH-UWVGGRQHSA-N	368.084	3.326	50	40	FGGB	
CCN1CC=C2[C@@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N	664243	JMGUNBRJOCQPKP-MLGOLLRUSA-N	369.881	3.147	50	40	FGGB	aggregator
CCN(CC)c1ccc(/C=N\NC(=O)CNc2c(C)cccc2C)c(O)c1	13285928	KGQARGXIBVWXMY-QRVIBDJDSA-N	368.481	3.417	50	40	FGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)cc1	96021594	JXCCIVIYWSDQJA-ZHZULCJRSA-N	368.458	3.170	50	40	FGGB	
O=C(CSCc1cccs1)NNC(=O)c1cc(-c2ccccc2)on1	9314308	KBJZFCOAQGMBAP-UHFFFAOYSA-N	373.459	3.098	50	40	FGGB	
Cc1ccc2sc(NNC(=O)[C@H]3COc4ccccc4O3)nc2c1C	4121439	MNROIKIQIXVNMC-CQSZACIVSA-N	355.419	3.196	50	40	FGGB	
CCN1CCN(C(=O)N[C@H](c2ccc(C)c(F)c2)C(Cl)Cl)CC1	59866531	CVWIZYDBBSYGBZ-CQSZACIVSA-N	362.276	3.326	50	40	FGGB	
CC[C@H](C)C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	22412617	AEIHSSRPVTUKLI-LBPRGKRZSA-N	372.494	3.193	50	40	FGGB	
COc1cc(/C=N/NC(N)=O)cc(Cl)c1OCc1ccc(F)cc1	58822678	UKFXDNAUJJNRSF-DNTJNYDQSA-N	351.765	3.069	50	40	FGGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)C(N)=O	59133372	MUXZXZKPKKWODI-ZSOIEALJSA-N	357.207	3.420	50	40	FGGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(N3CCCC3)c(F)c2)c1	409095621	IBYLXXZGBCOSFG-HYARGMPZSA-N	354.429	3.256	50	40	FGGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC(=O)Nc2ccccc2C)cc1	409008640	ZETVARMHTBJINA-ATVHPVEESA-N	364.401	3.483	50	40	FGGB	
CC(C)(C)c1ccc(/C=N\NC(=O)CC(=O)NCCc2ccccc2)cc1	83262283	HWJZOXAUUKOAAD-JLPGSUDCSA-N	365.477	3.183	50	40	FGGB	
O=C(CCc1ccc(O)cc1)N/N=C/c1cc(Cl)cc(Cl)c1O	1026756	OCBCUXQSEPNPKI-DJKKODMXSA-N	353.205	3.488	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1	59302062	SEWVIYBITBIILS-LKKYZFDUSA-N	366.373	3.093	50	40	FGGB	
Cc1cccc(C)c1NCC(=O)N/N=C\C=C\c1ccc2c(c1)OCO2	13285933	LIRNFHKLOHCORH-XMLSKVTLSA-N	351.406	3.259	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)CNC2CCCCC2)cc1Br	409377011	DZCUKVUBYAKLEH-VXLYETTFSA-N	352.276	3.130	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(N)=S)cc(Br)c1OCC	33664831	JCOXHXQHOJGGAU-BJMVGYQFSA-N	355.257	3.440	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC)cc1	7164933	BXXYARFQGMVVLD-FOWTUZBSSA-N	350.374	3.418	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(N3CCCCCC3)o2)c1	6186290	OUAMLPFUQNYUEL-KGENOOAVSA-N	368.437	3.382	50	40	FGGB	
NNC(=O)c1cc(Br)c2[nH]c(-c3ccccc3Cl)nc2c1	226344040	REMVCRLPXAURFC-UHFFFAOYSA-N	365.618	3.249	50	40	FGGB	
COC(=O)c1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3c(=O)[nH]2)oc1C	25583787	JVXKINHEJIRNHB-BJMVGYQFSA-N	369.764	3.329	50	40	FGGB	
COc1ccc(O)c(/C=N/NC(=O)CSc2cccc3cccnc23)c1	706036	KVDSTOBCWCSVMC-SRZZPIQSSA-N	367.430	3.191	50	40	FGGB	
O=C(NNC(=O)c1c[nH]nc1-c1ccccc1)c1cc2c(s1)CCCC2	12531894	DWVKCPDKEYEAOM-UHFFFAOYSA-N	366.446	3.092	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1	4513241	OUNXIMDOKOKNNK-UKTHLTGXSA-N	352.306	3.357	50	40	FGGB	
COC(=O)/C(C#N)=C1/S[C@@H](Cc2ccccc2)C(=O)N1c1ccccc1	2300954	RGQVWULTOMPUAG-PJCCXHTNSA-N	364.426	3.286	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)c(C)o1	5574142	CIMISYQYNCIWLG-RGVLZGJSSA-N	352.346	3.473	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)ccc1OCC(C)C	6327181	IDLLBBIEQWXLNT-XNQWGTPPSA-N	365.433	3.487	50	40	FGGB	
N#CC(C#N)=C1c2cc([N+](=O)[O-])ccc2-c2c(C(=O)O)cc([N+](=O)[O-])cc21	3120889	LFDUYJBQWHQAGP-UHFFFAOYSA-N	362.257	3.031	50	40	FGGB	
O=C(Cc1c[nH]c2ccccc12)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	2750871	COONNKSOTBCEDA-AWQFTUOYSA-N	356.769	3.422	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CNC2CCCCC2)c(C)n1-c1ccccc1	409376250	WHSHJLPKQHRVMM-OEAKJJBVSA-N	352.482	3.467	50	40	FGGB	
Cc1c(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-]	15902404	WGAKMLNIFONKQB-UHFFFAOYSA-N	371.437	3.271	50	40	FGGB	
N#C/C(=C\c1ccc(OCc2ccccc2Br)cc1)C(N)=O	408894308	HLICPPSNSDIWFM-NTEUORMPSA-N	357.207	3.420	50	40	FGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)c1C	408999241	UENMOGKQJPRXKN-LSHDLFTRSA-N	363.339	3.411	50	40	FGGB	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1	40158855	RYNVSLDYBBSEFL-TVFCKZIOSA-N	356.372	3.019	50	40	FGGB	
CCS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(Cl)cc1Cl	96519127	XWJQLVNJQUWGOE-VHSXEESVSA-N	362.072	3.183	50	40	FGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1F	840367	BMPVGMNWWNWRPQ-VIFPVBQESA-N	371.195	3.361	50	40	FGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccnc1	408979614	NHPZRQUQEUCJLT-HSJQUHBMSA-N	372.428	3.093	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)c(C)c1	408870648	WGAPNAMLIMFVJD-LICLKQGHSA-N	366.417	3.244	50	40	FGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)c1	409041267	UJQLRHOHMYNBPG-HYARGMPZSA-N	362.385	3.426	50	40	FGGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)C(C)(C)C)cc1	409000026	WQLKCVTZTQAXFE-UHFFFAOYSA-N	353.422	3.054	50	40	FGGB	
CN(C)c1oc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Br	408862467	JXKISASBVCTLOI-JYRVWZFOSA-N	374.238	3.331	50	40	FGGB	
O=C(N/N=C/c1cc2c(cc1Cl)OCO2)c1ccc(N2CCCC2)cc1	7385747	CZYPWLUPIURCIY-SRZZPIQSSA-N	371.824	3.433	50	40	FGGB	
CC(C)c1ccc(-c2nc(C(=O)NNC(=O)c3ccccn3)cs2)cc1	29463289	BSBHBQKPDIBSQC-UHFFFAOYSA-N	366.446	3.403	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1cccs1)[C@H](c1ccco1)C(C#N)=C(N)O2	1262907	DTCIWLWACJZODE-INIZCTEOSA-N	365.414	3.078	50	40	FGGB	
CC(=O)Nc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1	59514920	XYVJTHCTGGKPHM-CIAFOILYSA-N	366.421	3.003	50	40	FGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1cccc(F)c1	408890098	NTBVCHBWSKQRAA-WLRTZDKTSA-N	360.772	3.459	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc([N+](=O)[O-])c1O	36236339	IGHJVJVOEATDPW-QGMBQPNBSA-N	363.757	3.035	50	40	FGGB	
CCCOc1ccc(/C=N\NC(=O)COc2ccccc2)cc1OCC	83331756	RXAPQCDNSQJGCN-STZFKDTASA-N	356.422	3.403	50	40	FGGB	
C/C(=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1O	100062534	XEJDEDLKZCKXSV-KQWNVCNZSA-N	360.413	3.169	50	40	FGGB	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1ccsc1	18052450	SIXMFKFDBVUFFN-AWEZNQCLSA-N	368.458	3.449	50	40	FGGB	
C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O	7928836	AJJJZUCLEOIAKP-UKRRQHHQSA-N	354.362	3.110	50	40	FGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@H](O)c1ccccc1	1243387	YILSSGTWJQUTCC-KKJJZKEWSA-N	368.824	3.018	50	40	FGGB	
BrCCc1nc(CCBr)n(Cc2ccccc2)n1	1243647	MWXDMDHTQQUDAL-UHFFFAOYSA-N	373.092	3.201	50	40	FGGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(Cl)cc1Cl	57508968	ZXEYEEWOLDUWCK-LBPRGKRZSA-N	363.628	3.403	50	40	FGGB	
N#C/C(C(=O)C1CCCCC1)=C1/NC(=O)[C@@H](Cc2ccc(F)cc2)S1	13688156	XBVVANSOOWVWIL-ORMOWBNMSA-N	358.438	3.484	50	40	FGGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccncc1	409015779	BEAMFGYWMGSHOJ-UDWIEESQSA-N	369.222	3.399	50	40	FGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	409184570	HADUBRDAYLNAAD-UDWIEESQSA-N	354.366	3.016	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408792917	MKRZJEDBIUCVGE-GXDHUFHOSA-N	370.792	3.437	50	40	FGGB	
CCO[Si](CCCNC(=O)N[C@H](C)c1ccccc1)(OCC)OCC	195751221	HTHSRWGCXUDZTR-MRXNPFEDSA-N	368.550	3.485	50	40	FGGB	
COC(=O)Cn1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21	13424259	RFRDVJFQZGJEMN-PTNGSMBKSA-N	359.385	3.360	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])c1C	13945599	IKGFSGXWRQCDDV-LRFQPHQISA-N	353.378	3.406	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)c1O	682821	FIXNYJYEPZQCCQ-RGVLZGJSSA-N	351.362	3.128	50	40	FGGB	
O=C(N/N=C/c1ccc2c(c1)OCCO2)c1cccc(C(F)(F)F)c1	1410129	YSGWLADDOBONHE-UFFVCSGVSA-N	350.296	3.241	50	40	FGGB	
CO[C@H](C(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1	59472896	QECFNFOKUUQBDO-PQFHHTBUSA-N	356.447	3.019	50	40	FGGB	
O=C(Cc1ccc2c(c1)OCO2)N/N=C/c1ccc(Cl)cc1Cl	408728329	JTZGVCNPYNJOPB-UFWORHAWSA-N	351.189	3.415	50	40	FGGB	
CC[C@@H](Cl)C1=NC(C)(C)[C@H](C(C)=O)N1S(=O)(=O)c1ccc(C)cc1	24718468	KXGLWSOHMITUQH-CABCVRRESA-N	370.902	3.151	50	40	FGGB	biogenic
O=C(CBr)c1ccc(I)c(F)c1F	98210718	PKZAXWZJIJUBTB-UHFFFAOYSA-N	360.923	3.147	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc(OC)c1OC	831149	ZCJHWIUPAGNFIM-HMHKGCENSA-N	374.462	3.343	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1	6230134	PKSXEMZSYYFWKX-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)c1	408971254	HWLHRXIIQYMXCZ-VXLYETTFSA-N	374.238	3.155	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)ccc1OC	6960386	TTWFQWMTNRQKDP-GZTJUZNOSA-N	354.497	3.130	50	40	FGGB	
O=C1O[C@@H](C(=O)NNc2ccc(Cl)c(Cl)c2)Cc2ccccc21	24776315	ZHAUJKHBEVJFLL-CQSZACIVSA-N	351.189	3.218	50	40	FGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccccc1O	100522867	DKBRQNKCPZDHIQ-OEAKJJBVSA-N	365.433	3.406	50	40	FGGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c([N+](=O)[O-])cc1OC	408544526	WWZSFEQJPKDSFX-AUWJEWJLSA-N	354.318	3.374	50	40	FGGB	
COC(=O)c1ccc(C(=O)[C@H](Br)CBr)c(C)c1	575362349	IBMFKXHATMHTHO-SNVBAGLBSA-N	364.033	3.123	50	40	FGGB	
O=C(N/N=C/c1ccco1)c1ccn(Cc2cccc(Br)c2)n1	1081684	UCLKDEKWSIQTCH-VCHYOVAHSA-N	373.210	3.051	50	40	FGGB	
O=C(NNC(=S)NCc1ccccc1)c1cc2cc(Cl)ccc2o1	14840854	KHXIDKBRUQJALV-UHFFFAOYSA-N	359.838	3.395	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1	23410769	JFWMIGMRRWDSGA-GZTJUZNOSA-N	351.358	3.434	50	40	FGGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@H](O)c1ccc(Br)cc1	3087934	WMHHNCFHWYWVDZ-UHPUNMKFSA-N	367.630	3.286	50	40	FGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C	58912452	LCQXGQIRWLDYFG-LPYMAVHISA-N	368.481	3.029	50	40	FGGB	
Cc1cc(/C=N\NC(=O)c2ccco2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409000981	ZMTCVOBQNUFHQM-ODLFYWEKSA-N	352.350	3.359	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1OC	792884	GQUGADXCIQNHMO-AWQFTUOYSA-N	372.812	3.077	50	40	FGGB	
CO[C@@H]1C[C@@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431186	HMZBDIASJKIJQB-VOAKCMCISA-N	370.203	3.047	50	40	FGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)c2ccccc2N)cc1Cl	100814830	PDVHUFZTTAWPQC-SSDVNMTOSA-N	374.828	3.065	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1Cl	6439742	CUVBVUCDYZWOAG-UHFFFAOYSA-N	353.205	3.467	50	40	FGGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	59159297	UIAGZCPMEMRTTG-DEDYPNTBSA-N	352.394	3.267	50	40	FGGB	
C[C@H]1CCc2sc(C(=O)NNC(=S)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2C1	102971506	OGPMJXQUTHSNCF-FMCLSXCISA-N	363.552	3.170	50	40	FGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1	6024617	CAEXVOLBIASUKL-QGZVFWFLSA-N	374.400	3.399	50	40	FGGB	
COCCCNC(=O)N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21	83902580	PQGOLTBEBQIOIE-WDUNQMNWSA-N	353.422	3.250	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408790760	YJKSOLLHGVIXKP-LFIBNONCSA-N	350.374	3.093	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1Br	409366192	ZSFBWPPPRAIVEF-AWQFTUOYSA-N	364.218	3.459	50	40	FGGB	
Cc1cccc2cc(/C=N/NC(=O)c3c(Cl)cnn3C)c(Cl)nc12	695748	BYPODRHKCNBZCI-FBCYGCLPSA-N	362.220	3.347	50	40	FGGB	
CN(C)C(=O)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	102863852	XEZKYOUFAFTFRT-UHFFFAOYSA-N	351.328	3.164	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccc(Cl)s3)[C@@H]2C1	17143913	CLOGVZUTBLRIDT-CJNGLKHVSA-N	369.881	3.147	50	40	FGGB	
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(Cl)sc2Cl)s1	63181823	MOHQKGFWWPDJOZ-UHFFFAOYSA-N	371.292	3.048	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1cccc([N+](=O)[O-])c1	408762857	MRECSCYRICCLBB-KEBDBYFISA-N	351.284	3.306	50	40	FGGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	5298643	DZTSPGJIRLGPKQ-DEDYPNTBSA-N	368.393	3.026	50	40	FGGB	
CC(=O)c1c(NNC(=O)COc2cc(C)ccc2C(C)C)oc(C)cc1=O	4753390	FKOYNKQQTKYPQW-UHFFFAOYSA-N	372.421	3.105	50	40	FGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1ccccc1Cl	58913890	AMFBOIUXZDXMQT-NHDPSOOVSA-N	374.872	3.112	50	40	FGGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C\C=C(C#N)/C=N\OC)cc1	104210937	BDVGRDASLCXXET-BSZWOCCCSA-N	370.453	3.193	50	40	FGGB	
CCOC(=O)C1=C(CCl)OC(N)=C(C#N)[C@@H]1c1ccc(SC)cc1	2259110	GTBROTLCZOAFTK-AWEZNQCLSA-N	364.854	3.272	50	40	FGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OC)cc1OC	408807616	DMVPYQJSLRGNPX-HAAVITCDSA-N	367.243	3.288	50	40	FGGB	
N#C/C(=C\c1ccc2c(c1)OCCO2)C(=O)NCCc1c[nH]c2ccccc12	4723202	VSYPURZQGRIPHY-GZTJUZNOSA-N	373.412	3.205	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OCC	409351454	WMUQJLPIANXMKS-WSDLNYQXSA-N	359.401	3.185	50	40	FGGB	
Cc1ccsc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1	33678321	CFGKCBPIVPKVJO-STZFKDTASA-N	350.443	3.443	50	40	FGGB	
COc1ccc2cc(/C=N/NC(=O)c3ccccc3O)c(Cl)nc2c1	33547841	SWGNEUGHCULHEP-KEBDBYFISA-N	355.781	3.366	50	40	FGGB	
N#C/C(C(=O)Nc1ccccc1)=C1/C(=O)Nc2ccc(Br)cc21	39555998	BPRBXMAMBIEUIK-SQFISAMPSA-N	368.190	3.317	50	40	FGGB	
O=C(N/N=C/c1c(O)ccc2oc3c(c12)CCCC3)c1ccc(O)cc1O	1249394	YSJJFOMKMUGJJH-UFFVCSGVSA-N	366.373	3.192	50	40	FGGB	
CC(C)=NNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccccc1	19948935	HNTKUUAHIXHVHY-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	2774066	GVTBJDMVPTXZPF-NTUHNPAUSA-N	352.306	3.357	50	40	FGGB	
CC/C(=N\NC(=O)[C@H](OC)c1ccccc1)c1ccc2c(c1)OCCO2	408719635	IJRHNFWWYNDOPY-SRMPHAGFSA-N	354.406	3.076	50	40	FGGB	
NNC(=O)c1cc(Br)ccc1OCc1ccccc1Cl	226319323	RZEVNXXUKMOLNG-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@]2(C)CI	242649017	RRHSBISFIQTULS-WDQPUEAGSA-N	357.029	3.190	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])s2)ccc1Cl	3141904	HSDKFIJYFQMSGM-FRKPEAEDSA-N	353.787	3.147	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)ccc1O	15223892	MBCOXVJKGCZOHJ-IFGKONELSA-N	351.244	3.431	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1	6189228	NYLPBTPQZTZCLA-LPYMAVHISA-N	362.433	3.321	50	40	FGGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc21	208204954	MTNBMRPNMLWJHS-ZCQLHAAUSA-N	353.466	3.174	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)COc2ccc([C@H](C)CC)cc2)cc1	12137117	LJCWSXBVNHCGBE-OAHLLOKOSA-N	370.449	3.439	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)cc1	1425066	XBVOJOGRMITGLD-LZYBPNLTSA-N	353.241	3.348	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1O	408678391	YDWCEAYZDKLZAN-KGENOOAVSA-N	353.422	3.155	50	40	FGGB	
COc1cccc(C[C@H](Br)CBr)c1OC(C)=O	97947754	LOOAEWOHNBNQTJ-JTQLQIEISA-N	366.049	3.321	50	40	FGGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(OC)c1	409244549	FJEMCCDPMVSWJP-FBKCMUNRSA-N	366.417	3.497	50	40	FGGB	
CC1(CC(=O)N/N=C\c2ccc(Br)cc2)SCCS1	32116890	MVVZLVKYPKPSBP-DHDCSXOGSA-N	359.314	3.486	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1cccc([N+](=O)[O-])c1	36144775	NDOTWNFRPJFPCV-YVLHZVERSA-N	362.183	3.050	50	40	FGGB	
Cc1cc(C)[n+]2c(c1C#N)S[C@@H]1CCC[C@H](I)[C@@H]12	257173463	OFJPIICYBRJOKX-XQQFMLRXSA-N	371.267	3.466	50	40	FGGB	
COc1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1OC	4121491	SMQHECHTZIXECF-UHFFFAOYSA-N	365.361	3.349	50	40	FGGB	
COc1ccc2ccccc2c1[C@@H]1CC(=O)N2CN(C)CSC2=C1C#N	20533378	FKDYXZIMENMOCZ-OAHLLOKOSA-N	365.458	3.493	50	40	FGGB	
CCOC(=O)CS[C@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl	101411123	GBQPTTNCBGCHRH-AWEZNQCLSA-N	350.267	3.151	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4C)ncnc32)cc1	4355176	CDHKLGIPACCGLN-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1	6684562	CGUQZYOHCKLGAT-UFFVCSGVSA-N	352.312	3.243	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1	59471515	FSGLVXGYBQJPBF-UDWIEESQSA-N	366.446	3.370	50	40	FGGB	
COc1ccc(C)cc1NC(=O)NNC(=O)c1cc2ccccc2cc1O	8370205	VWHIJDZEOGDRFN-UHFFFAOYSA-N	365.389	3.329	50	40	FGGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)o1	6788853	BWRGWXRZCPAYCM-KPKJPENVSA-N	368.418	3.077	50	40	FGGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)C(C)(C)C)c1	409002279	MYHQXDCDOOEUOT-UHFFFAOYSA-N	353.422	3.054	50	40	FGGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)o2)cc1	409019081	XWRZJNVBMKCTOK-CIAFOILYSA-N	360.329	3.490	50	40	FGGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccc(F)cc3)cc2)n1	669058	OCBKUSDXLCTJDQ-WSDLNYQXSA-N	350.397	3.451	50	40	FGGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)N(C)C)cc1OCC	59334712	FWEZLLPFEVRZBJ-GHXNOFRVSA-N	367.243	3.242	50	40	FGGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)NCc1ccccc1	3241126	RDGANQNNLDDWSQ-MHWRWJLKSA-N	354.793	3.107	50	40	FGGB	
O=C(NNc1ccccc1)c1cc2cc(Br)ccc2oc1=O	16490248	COHREJUDZPYAJE-UHFFFAOYSA-N	359.179	3.312	50	40	FGGB	
O=C(CCCC[C@H]1CCSS1)N1CCN(C(=O)c2ccco2)CC1	96114837	MOKRWGCNMGFBLT-AWEZNQCLSA-N	368.524	3.278	50	40	FGGB	biogenic
COc1ccc([C@@H]2C(C#N)=C(N)O[C@@H]3[C@@H]2C(C)=NN3c2ccccc2)cc1	16739642	YAZVEATZEAEAHG-SFHLNBCPSA-N	360.417	3.341	50	40	FGGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)c1	13802207	LTVRHJXFPMEQHM-FBHDLOMBSA-N	369.764	3.457	50	40	FGGB	
CC(C)c1nn(C)cc1/C=C(\C#N)c1nc(N)nc(Nc2ccccc2)n1	55039379	HSLIXIGOFYZPKE-UKTHLTGXSA-N	360.425	3.118	50	40	FGGB	
COc1ccc(SCC(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	12973597	FJZJFNWGYAGRHR-UHFFFAOYSA-N	374.506	3.151	50	40	FGGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1	408904818	PBTRZJIJVRPYLO-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)NC[C@@H]1CCCO1	408817553	WOCZXLVRXTWXGZ-KJCUYJGMSA-N	360.413	3.054	50	40	FGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1	408812582	WXWRZXPOTRCHCX-ZWSXMNCCSA-N	350.260	3.337	50	40	FGGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCc1cccnc1	39383912	GFLDPOBPJXOXOF-GDNBJRDFSA-N	374.356	3.473	50	40	FGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1OC	408874858	BNGJUKBVFBGLOX-VXLYETTFSA-N	362.769	3.258	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1	8083833	NNGDAOQSASBXSZ-QNDYCBLQSA-N	363.461	3.369	50	40	FGGB	
Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1	5446372	YZDWTDRGUCFKKW-HNNXBMFYSA-N	351.797	3.446	50	40	FGGB	
O=c1ccc(C(F)(F)F)cn1C[C@H](Br)CBr	5670293	UMJSUEUEXALMNJ-SSDOTTSWSA-N	362.971	3.026	50	40	FGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\NC(=S)Nc2ccccc2)cc1	17223395	HIGCXXIHLIOWTJ-VBKFSLOCSA-N	357.460	3.120	50	40	FGGB	
CCOc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccc(C)c1O	5336785	PEAPREIQLHSJTM-HYARGMPZSA-N	369.421	3.234	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1O	7993729	XDFNDHFOKSUKRK-GIJQJNRQSA-N	350.827	3.297	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1	104650909	VOLNRMKUOPVWPE-BLWUOAHFSA-N	358.444	3.219	50	40	FGGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccccc2O)cc1)c1ccccc1	1021114	PGZAIQBQSMBBGS-HYARGMPZSA-N	360.369	3.375	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2ccc(Br)cc2)nc2ccccn12	5265468	BSWBKXTVJZBOEP-VCHYOVAHSA-N	357.211	3.169	50	40	FGGB	
CCCC(=O)C1=C(N)C(C#N)=C(N2CCCCC2)[C@]1(C#N)c1ccccc1	1087452	ALFYKENFCYUVRA-JOCHJYFZSA-N	360.461	3.307	50	40	FGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C	58912434	PHIWNBLVAHDBLY-LPYMAVHISA-N	368.481	3.029	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)c(OC)c1	59473170	DYGUVQUTPLTPQH-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
COc1ccc2nc(Cl)c(/C=N/NC(=O)c3ccccc3O)cc2c1	2395385	GDLJTQMVDLMSCA-KEBDBYFISA-N	355.781	3.366	50	40	FGGB	
COc1ccc(C(=O)N/N=c2/scc(-c3ccccc3)n2C(C)=O)cc1	3856111	CYRHKOVWXYXZSB-XUTLUUPISA-N	367.430	3.131	50	40	FGGB	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)Nc1ccc2c(c1)OCO2	17076445	FEVWBFWBNJIPLY-UHFFFAOYSA-N	373.434	3.212	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)c(OC)c1	408766792	RXDIUVFWXBPJBU-GDNBJRDFSA-N	350.374	3.452	50	40	FGGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(=O)O)c(Cl)c2)c1C	408852647	VIKSDPRZZAMXPS-QPEQYQDCSA-N	357.797	3.099	50	40	FGGB	
Cc1ccc(CC(=O)N/N=C\c2cc(Br)ccc2O)c(C)c1	216037903	XGMXFXNBSFESDS-GRSHGNNSSA-N	361.239	3.464	50	40	FGGB	
COc1cc(/C(C)=N\NC(=O)CSc2nc3ccccc3o2)ccc1O	1297828	NVKPBMMQZNGGTA-JAIQZWGSSA-N	371.418	3.175	50	40	FGGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)c1cccs1	100089615	FKZOAAOXQXBYII-CIAFOILYSA-N	359.495	3.329	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1[N+](=O)[O-]	59473697	WDNIGZPCEJSDEM-VXLYETTFSA-N	373.434	3.295	50	40	FGGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)cc1)c1ccccc1	829891	MZDCLULGRGBLDL-VRMLFSPKSA-N	374.396	3.090	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)c1	408586553	CLPLGTYKERFBEH-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c(OC)c1	6736096	ZCOYHZSWPCMIEO-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
Cc1cc(C)c2c3c(sc2n1)[C@]1(CCN(C)C[C@H]1C)C(C#N)=C(N)O3	17143926	LLQUIEVPVPAXDR-WYRIXSBYSA-N	354.479	3.209	50	40	FGGB	
CC(C)(C)[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(F)c1	8733100	NKHXZEQBBKZNEI-ZDUSSCGKSA-N	359.239	3.080	50	40	FGGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccccc1	59434294	OMWNYYGGOJNMPL-JHAVZTMOSA-N	363.339	3.033	50	40	FGGB	
COc1ccccc1[P@](=O)(c1ccccc1)c1ccc([N+](=O)[O-])cc1	38141377	KRYOJAAIQDBETN-VWLOTQADSA-N	353.314	3.243	50	40	FGGB	
C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1ccc(O)cc1O	5527747	BQYJBUYRHGVSHO-NTOSSWPYSA-N	373.459	3.338	50	40	FGGB	
CCOc1ccc(C(=O)N/N=C\c2c[nH]nc2-c2ccc(OC)cc2)cc1	5634142	PSDWYMPZJFWGSE-XKZIYDEJSA-N	364.405	3.248	50	40	FGGB	
O=C(NNC(=O)c1ncc(Cl)c(Cl)c1Cl)c1ccc(F)cc1	15628724	MGYSTHBAULZTTP-UHFFFAOYSA-N	362.575	3.256	50	40	FGGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccccc2F)c1	409099125	QMXDNXCKQUSNJJ-CIAFOILYSA-N	351.337	3.079	50	40	FGGB	
C/C(=N\NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O)C(C)(C)C	408776678	QBAPWWUCKNRNIL-XMHGGMMESA-N	367.515	3.114	50	40	FGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1[C@H]2CCCC[C@H]12	100957022	QMWBRQVTGBUOAJ-ZASVFINYSA-N	351.244	3.344	50	40	FGGB	
O=C(N/N=C\c1ccncc1)c1ccc(COCC(F)(F)C(F)F)cc1	44859800	PMBXBBBXDYAISH-AQHIEDMUSA-N	369.318	3.263	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)COc1ccccc1-c1ccccc1	3427783	IRSCKZPEFBYGHT-UHFFFAOYSA-N	350.374	3.095	50	40	FGGB	
CCNC(=O)COc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1OC	44027928	JAOIUULBPLUXGS-OVCLIPMQSA-N	370.430	3.061	50	40	FGGB	
Cc1ccc(-c2nc3ccccc3[nH]2)cc1NNC(=O)CCCC(=O)O	95532141	SYBOTVZWZSGJFM-UHFFFAOYSA-N	352.394	3.236	50	40	FGGB	
N#CC(C(=O)c1cc[n+](Cc2ccccc2)cc1)=C1Nc2ccccc2N1	5491421	DMYZETSVXTWUCR-UHFFFAOYSA-O	353.405	3.478	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)c1	15219209	GSAQLMQCGCLXAY-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
CC(C)c1cc(C(=O)NNC(=O)c2ccc(Cl)cc2)nn1C(C)(C)C	40140182	JWXLLUIGHDWYQO-UHFFFAOYSA-N	362.861	3.490	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)C[C@@H](C)c3ccccc3)ccc21	2628341	IYDBCOWVOVHATJ-CQSZACIVSA-N	364.449	3.319	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	1083276	AYXYTOGNSKIGME-JJIBRWJFSA-N	374.440	3.472	50	40	FGGB	
Cc1cc2c(c(=O)n1C1CC1)[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	2214058	WYAJXJWAOGAOKA-INIZCTEOSA-N	353.809	3.363	50	40	FGGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccncc2)sc(C)c1C	5016825	YSUMSCOIZOGGJV-ZROIWOOFSA-N	355.419	3.482	50	40	FGGB	
Cc1cc(C)c2sc(NNC(=O)[C@H]3COc4ccccc4O3)nc2c1	4121466	XUBNUDUHWVTPJM-OAHLLOKOSA-N	355.419	3.196	50	40	FGGB	aggregator
O=C(C/C(=N\NC(=O)c1ccccc1O)C(F)(F)F)c1cccs1	100456342	YHMXEIQNORBQGJ-CPNJWEJPSA-N	356.325	3.375	50	40	FGGB	
Nc1sc(-c2ccccc2)cc1C(=O)NNC(=O)/C=C/c1ccco1	14019234	RXHIVLIOVIDQJF-CMDGGOBGSA-N	353.403	3.065	50	40	FGGB	
CC(C)(C)c1n[nH]c2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	4548346	FPRASYRHJBBQDN-LBPRGKRZSA-N	373.800	3.487	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCC#N	408747904	VOHLGBZACXJBBM-PDGQHHTCSA-N	361.401	3.211	50	40	FGGB	
N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@@H]1c1ccnc2ccccc12	5590133	DBGWIVSSQHNMID-GFCCVEGCSA-N	357.295	3.195	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1O	6761847	MIZOUBYBHYCAHX-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
O=C(C[C@H]1C=CCC1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	12554212	TZOCRXQQAOZESV-HNNXBMFYSA-N	372.428	3.414	50	40	FGGB	
Cc1cc(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2ccccc12	3341397	KKHKZRIRJITDSH-UHFFFAOYSA-N	369.421	3.236	50	40	FGGB	
COc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])ccc1OC(C)C	33659396	WRIWBTOSRONFHW-NDENLUEZSA-N	371.393	3.083	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1OC	59921102	AHBLFZRDAMTITB-UFFVCSGVSA-N	352.312	3.487	50	40	FGGB	
COc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC	818649	GHZXIJHQVSMKAU-SFHVURJKSA-N	368.433	3.463	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1	23358666	WZGLKIDJXQCUOQ-HZHRSRAPSA-N	365.477	3.406	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2c(C)cccc2C)c(O)c1	5101133	QTMOYYJIPFFEKK-LPYMAVHISA-N	369.465	3.384	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc(OC)c2)C(C#N)=C(N)O3)c1	6733518	VAMVQWYALDNEGO-KRWDZBQOSA-N	374.400	3.312	50	40	FGGB	
NNC(=O)c1ccc(-c2ccc(Br)cc2Br)o1	73638342	ZHYMGNJYSDTDER-UHFFFAOYSA-N	360.005	3.075	50	40	FGGB	
C[C@](CBr)(NS(=O)(=O)c1ccccc1)c1ccccc1	3201699	ZJGBUDDQIQKFNN-OAHLLOKOSA-N	354.269	3.275	50	40	FGGB	
C#CCn1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)c2ccccc21	6544936	VTGDKOPILGWKLX-LPYMAVHISA-N	361.401	3.056	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1C	2195598	VLLMBVMQOMBQRK-IXJMWADBSA-N	355.463	3.177	50	40	FGGB	
O=C(CSc1nccc(O)n1)NN(c1ccccc1)c1ccccc1	13598063	WVOBGPXILLNWMZ-UHFFFAOYSA-N	352.419	3.144	50	40	FGGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1	408995086	IQIWLBQYHREZNA-CIAFOILYSA-N	365.389	3.376	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Br)cc2)ccc1O	55185031	BZGWGGJZDWKRBS-ZDLGFXPLSA-N	363.211	3.317	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3Cl)CC2=O)cc1	33750266	VNECYAVTPWQMRP-ZGFXFUDXSA-N	355.825	3.152	50	40	FGGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1ON(Cc2ccccc2)[C@@H]2C(=O)OC[C@@H]21	953105893	VBEBZLQDMDXHNZ-IKGGRYGDSA-N	363.530	3.366	50	40	FGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccc(Cl)cc1	1955566	BLWNBFQRGWKKND-LSHDLFTRSA-N	368.824	3.010	50	40	FGGB	
O=C(OC[C@H]1C[C@H](OC(=O)c2ccccc2)[C@H](Cl)O1)c1ccccc1	4983232	MJTRUHKBJQWTOJ-IXDOHACOSA-N	360.793	3.423	50	40	FGGB	
C/C(=N\NC(=O)CCSc1ccccc1)c1ccc2c(c1)OCCO2	59473614	YWKNOWMSSUULEB-XSFVSMFZSA-N	356.447	3.480	50	40	FGGB	
C/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccc(C)c([N+](=O)[O-])c1	5694619	KHSRJBSNCGQQNZ-RCCKNPSSSA-N	366.421	3.196	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C	408936834	IPYVNIJFDNGLMZ-OOXYOOLHSA-N	368.481	3.076	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	408745864	PPBHVKUXJPUSMG-ZSOIEALJSA-N	367.361	3.466	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)COc2cc(C)cc(C)c2)cc1OC	215546348	ONSXCAFAYJEQDD-QNGOZBTKSA-N	356.422	3.240	50	40	FGGB	
O=C(CCl)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1	39750638	BHQJPSHNGFVUKR-UHFFFAOYSA-N	356.769	3.166	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccncc2)c(C)n1-c1cccc([N+](=O)[O-])c1	2303159	KJMGGEMMQXLHGA-CIAFOILYSA-N	363.377	3.161	50	40	FGGB	
O=C(Oc1cccc(/C=N/NC(=O)c2ccccc2O)c1)c1ccccc1	1472538	IBTUBDHSKHSLQG-HYARGMPZSA-N	360.369	3.375	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1O	4750804	BNTYZACFMSFKAP-YDZHTSKRSA-N	371.396	3.011	50	40	FGGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)cc1	409187082	LSXOPGDXCHZZFP-MTJSOVHGSA-N	369.421	3.481	50	40	FGGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1	408949339	BCXUQMZWJASTBR-DEDYPNTBSA-N	364.361	3.158	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	408858515	SQEUKUFJPRPYRU-KVVHSQDJSA-N	358.401	3.422	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CN2CCCCC2)c(C)n1-c1ccc(F)cc1	28216600	HWKGEPMTPVBBGY-LPYMAVHISA-N	356.445	3.169	50	40	FGGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)c(OC)c1	1453597	QBGIINVOIYVKOI-GXDHUFHOSA-N	366.373	3.123	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1	13479766	MUDMBGZDEAGYCP-QZTJIDSGSA-N	363.852	3.085	50	40	FGGB	
C/C(=N/NC(=O)c1ccc(C)o1)c1cccc(NC(=O)C(F)(F)F)c1	6278857	SPIFAMNJSQSUEI-FBHDLOMBSA-N	353.300	3.243	50	40	FGGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc21	208436151	AHDZTPKUMXEZBC-BOPFTXTBSA-N	351.450	3.084	50	40	FGGB	
CCn1cc(/C=N/NC(=O)CSc2nc(C)cc(C)n2)c2ccccc21	6948216	DFHLJVJYNOGJFD-KEBDBYFISA-N	367.478	3.310	50	40	FGGB	
O=C(CSc1cccc[n+]1[O-])NN(c1ccccc1)c1ccccc1	3295336	JAEHNJDPLVVXMT-UHFFFAOYSA-N	351.431	3.282	50	40	FGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C(/C)CCc1ccccc1	59516313	SYHAKTHZVOCSLU-XKZIYDEJSA-N	373.840	3.412	50	40	FGGB	
CN(C)c1cccc(OCC(=O)N/N=C\c2cccn2-c2ccccc2)c1	408854143	YKEZRKHCFYATJR-JCMHNJIXSA-N	362.433	3.072	50	40	FGGB	
O=C(N/N=C/c1ccccc1I)c1ccccc1F	3475259	ZCXWHYVYPHLVMV-RQZCQDPDSA-N	368.149	3.194	50	40	FGGB	
COc1ccc(OC)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	3656948	YVMGFABOIUIHPX-DNVCBOLYSA-N	360.417	3.297	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1	408997515	GWUDRJAHCFMIHT-YBFXNURJSA-N	352.350	3.359	50	40	FGGB	
C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1ccccc1N	4179420	YRONUWAPSHQABX-SSDVNMTOSA-N	358.829	3.365	50	40	FGGB	
O=C(NNC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3)c1cccc2cccnc12	64631232	QBDJUQZCGMWEEG-KWOWKCNFSA-N	364.449	3.100	50	40	FGGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(C[C@H]2CCCO2)c1C)c1ccccc1	409197608	KDKMGRPQVADJDO-COIUQNELSA-N	369.465	3.122	50	40	FGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cccnc1	3335033	KAGCIJIOUWSXEO-UFFVCSGVSA-N	357.776	3.132	50	40	FGGB	
COC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	8812494	RDQGVCRYCYEBNH-SSDVNMTOSA-N	367.380	3.026	50	40	FGGB	
CN(C)C(=O)c1ccc(NC(=O)/C(C#N)=C/c2csc(C3CC3)n2)cc1	63277668	SPNGJBNFFBHINF-NTEUORMPSA-N	366.446	3.268	50	40	FGGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2C)cc1	4543452	LNOSEEXDWASUIZ-LFIBNONCSA-N	350.374	3.336	50	40	FGGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)cc(Br)c1OC	4674651	DCJTYBGTLXYGPO-LZYBPNLTSA-N	359.220	3.325	50	40	FGGB	
C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc(C)c([N+](=O)[O-])c1	4965084	DODZMEKHAQUFFW-HMMYKYKNSA-N	355.394	3.439	50	40	FGGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC(N)=O	409249750	LGULPAZNCHUAEV-ZROIWOOFSA-N	355.781	3.021	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2)N2C(=N1)SC(C#N)=C2N	408604344	IFDHUSMCJJACFV-MRXNPFEDSA-N	368.462	3.415	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)cc2c1	409186867	IWQPOFYZQRPIIV-JAIQZWGSSA-N	352.346	3.294	50	40	FGGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409377536	IBZZDEARGRVJNC-WSDLNYQXSA-N	369.421	3.017	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1C	2195596	VLLMBVMQOMBQRK-VYXQJKENSA-N	355.463	3.177	50	40	FGGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2	3035063	ADFPARWEYLMQFB-HXUWFJFHSA-N	371.444	3.465	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1Br	1092379	HOEGCFWCEGOROG-KPKJPENVSA-N	361.195	3.274	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1O	3576070	MLBYUQXKVCVQHP-LZYBPNLTSA-N	369.240	3.379	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccccc2)cc(OC)c1O	13940354	RKCINTCAFMKTNK-CNRHGSOZSA-N	354.406	3.047	50	40	FGGB	
N#CC(C(=O)CSc1ccc2c(c1)OCCO2)=C1Nc2ccccc2N1	6916630	MZSSLALKGXUTNT-UHFFFAOYSA-N	365.414	3.392	50	40	FGGB	
C=CCOC(=O)/C(C#N)=C/c1csc(N(C(C)=O)c2ccccc2)n1	7208513	GANSDMYKESLPHC-GXDHUFHOSA-N	353.403	3.464	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc([N+](=O)[O-])cc1	408784729	WSDQYYFBRPAQTR-MHWRWJLKSA-N	352.394	3.434	50	40	FGGB	
COc1cc(Cl)c(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409231745	LZVDZNLDAYTGEM-JMIUGGIZSA-N	350.777	3.189	50	40	FGGB	
COc1ccccc1OCc1ccc(C(=O)N/N=C/c2cccnc2)o1	1083405	UHEFBMSSKFLYMJ-CIAFOILYSA-N	351.362	3.026	50	40	FGGB	
N#C/C(=C/Nc1ccc(S(N)(=O)=O)cc1)c1nc2cc(Cl)ccc2o1	5740811	ZJNUUKJZOPBYOD-KTKRTIGZSA-N	374.809	3.105	50	40	FGGB	
O=C(CCCCCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@@H]2CC=C[C@H]12	12363005	SXKAAWNQVZBUID-OCKCWXHLSA-N	368.481	3.073	50	40	FGGB	
COc1cccc(/C=N\NC(=O)c2c(-c3ccccc3)noc2C)c1O	17126027	FIXNYJYEPZQCCQ-JAIQZWGSSA-N	351.362	3.128	50	40	FGGB	
O=C(NCc1ccncc1)C(=O)NN=C1CCCCCCCCCCC1	59459513	KDDZKDPYZLYYET-UHFFFAOYSA-N	358.486	3.475	50	40	FGGB	
COc1ccc(NC(=O)C(=O)N/N=C(\C)CCc2ccccc2)cc1Cl	58885805	NNKVTIZOUBMPHC-LPYMAVHISA-N	373.840	3.412	50	40	FGGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)COc1ccccc1C	4108871	FJSZOHOJFHMLOW-QRYGRCDUSA-N	352.390	3.308	50	40	FGGB	
N#C[C@H]1[C@@H](Br)[C@@H](O)c2ccccc2N1C(=O)c1ccccc1	4350003	PKNLRSBYSSNFHC-XHSDSOJGSA-N	357.207	3.036	50	40	FGGB	
Cc1ccc2[nH]c(C(=O)NNC(=O)C34CC5CC(CC(C5)C3)C4)cc2c1	4702669	BRYHVGUURYKGFS-UHFFFAOYSA-N	351.450	3.454	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(OCC)c2)cc1OC	409320574	QNWRYPSNTDWWJD-BKUYFWCQSA-N	370.405	3.128	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2ccc(OC)cc2)cc1	4482131	OTLKTAXVXUEORU-XSFVSMFZSA-N	358.463	3.477	50	40	FGGB	
N#CC(C#N)=C(N1CCCCC1)[C@]1(C#N)[C@H](c2ccccc2)C1(C#N)C#N	35325192	SRSOKKYNHVXFQA-NQIIRXRSSA-N	352.401	3.115	50	40	FGGB	
Fc1ccc(NC2=NC[C@H](CI)S2)c(F)c1	3161561	ZHLNUNGPKXMIBM-ZETCQYMHSA-N	354.163	3.283	50	40	FGGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccnc1	6554238	KNEWQCSGOXXVHS-RGVLZGJSSA-N	363.402	3.466	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)cc1	1319728	BJQUDZKWQQRSEQ-PUFAJPFRSA-N	356.422	3.449	50	40	FGGB	
O=C(CSc1nnc(-c2ccccc2)o1)Oc1ccc([N+](=O)[O-])cc1	4181530	FSJGKZOJUUTBAH-UHFFFAOYSA-N	357.347	3.343	50	40	FGGB	
N#CC(C(=O)CSC(=S)N1CCCCC1)=C1Nc2ccccc2N1	5066980	VONWAYYGNVRWFQ-UHFFFAOYSA-N	358.492	3.332	50	40	FGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1	6733516	OBQDGSURWPOOEY-QGZVFWFLSA-N	374.400	3.399	50	40	FGGB	
C[C@H](Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1)C(=O)O	408815188	GXRMSNKCDMXDQW-ORPVNXHJSA-N	361.785	3.348	50	40	FGGB	
COc1cc(/C=N/NC(=O)/C=C/c2ccc(C)cc2)cc(OC)c1OC	409060736	XHQXJHYEETZLEY-MBTGANKASA-N	354.406	3.184	50	40	FGGB	
CS(=O)(=O)[C@H](Br)C(=O)c1ccc(-c2ccccc2)cc1	96517829	FRGYSFUCFBJBRF-HNNXBMFYSA-N	353.237	3.302	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1	6215664	XLEGLRLLWPTJHS-FYJGNVAPSA-N	353.422	3.181	50	40	FGGB	
Cc1ccccc1C(=O)NNC(=O)COc1ccc(Cl)cc1Cl	939543	SCKLMMBKBRHGCJ-UHFFFAOYSA-N	353.205	3.142	50	40	FGGB	
COC(=O)/C=C\C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104086702	GPUKKOYLNAEOTE-WQRHYEAKSA-N	362.409	3.442	50	40	FGGB	
CCOC(=O)Cn1cc(/C=C(\C#N)C(=O)N2CCCCC2)c2ccccc21	2224477	PXBJQTDVSDGYEZ-FOWTUZBSSA-N	365.433	3.124	50	40	FGGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cccnc1	409235183	APYHQMLZVWHYMW-FMCGGJTJSA-N	350.397	3.321	50	40	FGGB	
COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2cc(C)ccn2)cc1	5334858	RKRLWBNAQYAAHR-HYARGMPZSA-N	370.409	3.030	50	40	FGGB	
CCCCC(=O)N/N=C(\C)CC(=O)Nc1cc(OC)c(Cl)cc1OC	4691153	MJVCOJUMMMIWMP-RGVLZGJSSA-N	369.849	3.368	50	40	FGGB	
Cc1cc(Cl)ccc1OCCCC(=O)NNC(=O)c1ccoc1C	7642770	QDDQJVCHDWOGRE-UHFFFAOYSA-N	350.802	3.170	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)c(OC)c1	408881695	KBGGHBVPNPQNBE-VGOFMYFVSA-N	372.808	3.286	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)CNC2CCCCC2)o1	409377410	HUFKFKKSXYKMDE-YDZHTSKRSA-N	350.422	3.191	50	40	FGGB	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	97959724	BJBQCYUBRNZWKG-VZUCSPMQSA-N	364.748	3.465	50	40	FGGB	
Cn1cc(Br)c(C(=O)N/N=C/c2cccc3ccccc23)n1	1089078	NDAQZYUAAYXXPL-GIJQJNRQSA-N	357.211	3.100	50	40	FGGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)c(C#N)c1C	6825552	AIULEHAARBGNFX-FOKLQQMPSA-N	361.405	3.335	50	40	FGGB	
CCN(NC(=O)C(O)(c1ccccc1)c1ccccc1)C(=O)c1ccccc1	728314	DYUJOCFJXFDGHI-UHFFFAOYSA-N	374.440	3.116	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1	408801752	VPGYDWLKWDYWOE-ANFUATRZSA-N	370.449	3.230	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc2c1OCO2	211452584	RKQBCIZRWWNJAI-TUTDSIAXSA-N	350.374	3.208	50	40	FGGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc3nc(S)oc3c2)cc(C#N)n1C	584908102	YXMMBEWQLQNSRW-LFYBBSHMSA-N	363.402	3.181	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)COc1ccc(F)cc1	2654754	DSCPNDFOEUAIQE-WSDLNYQXSA-N	366.396	3.157	50	40	FGGB	
CC1(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)SCCS1	6348125	XIDZIKNFGWDGJS-OVCLIPMQSA-N	359.860	3.285	50	40	FGGB	
C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc2c(c1)OCCO2	6367779	XEGKIAOMHRAHEO-PXLXIMEGSA-N	361.401	3.403	50	40	FGGB	
Cc1ccc(O[C@H](C)C(=O)NNC(=O)COc2ccccc2C(C)C)cc1	12292646	ISACDSHCVVZEOO-MRXNPFEDSA-N	370.449	3.112	50	40	FGGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCC1)c1ccccc1[N+](=O)[O-]	59488995	KQXSVBKNANBASF-UHFFFAOYSA-N	371.315	3.179	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])cc1	4735228	OERGPTSQNINXND-LICLKQGHSA-N	362.183	3.050	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	6825688	QJVJGNXQWYBBAX-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)ccc2OC)cc1	1433958	DUJGGHKKLYLNKR-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2nc3ccccc3n2C(N)=C1C#N	20086195	IPRJRBKTYBATJO-CWTRNNRKSA-N	373.416	3.089	50	40	FGGB	
CCCC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2279551	OZJJVRDQQRJLOG-NEPJUHHUSA-N	354.834	3.018	50	40	FGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3cc(C)n[nH]3)o2)cc1Cl	8026364	MJGXGXVWSOEVIJ-DJKKODMXSA-N	358.785	3.404	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1	408861705	FZLHSBLRWFZXRI-CIAFOILYSA-N	356.422	3.259	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1Br	409197691	MEKIVUCSWWROET-XLTHYULKSA-N	372.222	3.215	50	40	FGGB	
CCCCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC	19597268	DYASYLZHTSVXNY-UHFFFAOYSA-N	356.451	3.092	50	40	FGGB	
NC(N)=Nc1ccc(C(=O)Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	6535423	RYRFTXNRKITQDS-UHFFFAOYSA-N	369.164	3.026	50	40	FGGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2N)cc1	1098648	GOJHXSFBDGMTBV-AFUMVMLFSA-N	370.412	3.483	50	40	FGGB	
CCOC(=O)NNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1	12553786	YDSUSDYIWMFIKO-UHFFFAOYSA-N	374.784	3.177	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)C(N)=O	59416964	WVPMCAYGQCASGV-VMPITWQZSA-N	362.139	3.010	50	40	FGGB	
COc1ccc(CCn2c(=O)c3ccccc3n3c(CCl)nnc23)cc1	408712700	JLVIVOJJNVTNNQ-UHFFFAOYSA-N	368.824	3.034	50	40	FGGB	
BrC[Si](CBr)(c1ccccc1)c1ccccc1	195780498	GRHWCWIROXTGQG-UHFFFAOYSA-N	370.160	3.118	50	40	FGGB	
CCN1C(=O)C(C#N)=C(C)/C(=C/Nc2ccc(Br)cc2C)C1=O	96343682	PVUOECWJDPPIGV-ZROIWOOFSA-N	374.238	3.282	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2cccc(Br)c2)cc1	32923365	TYPQEIAYPCVDOT-ZDLGFXPLSA-N	360.211	3.171	50	40	FGGB	
O=C(N/N=C\c1ccc(I)o1)c1ccc(Cl)cc1	4814099	GZWZELBLLGBQNZ-CHHVJCJISA-N	374.565	3.302	50	40	FGGB	
COc1ccc2nc(/C(C#N)=C/c3cc(OC)c(O)c(OC)c3)[nH]c2c1	9263600	WOGZRIMTDRIRPP-WUXMJOGZSA-N	351.362	3.358	50	40	FGGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(O)c(Br)c2)cc1	409365657	VNLQYBGQOOTUGT-ODLFYWEKSA-N	361.239	3.410	50	40	FGGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc2c(c1)OCO2	5677975	YUWBRTCVTSTWGQ-GIDUJCDVSA-N	353.197	3.003	50	40	FGGB	
COc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1OC	408756962	YNCASTPUFISRRS-SSDVNMTOSA-N	366.339	3.415	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(OC)c2)cc1OCC	409321057	DYDFRXWRPZXMSN-BKUYFWCQSA-N	370.405	3.128	50	40	FGGB	
O=C(Cc1cn2ccsc2n1)N/N=C1\CCSc2ccc(F)cc21	13055760	FLZSSGJAPKXAIQ-CPNJWEJPSA-N	360.439	3.094	50	40	FGGB	
COC(=O)COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	8113311	PMZDUZFXWFUDMA-DHDCSXOGSA-N	368.345	3.219	50	40	FGGB	
Cc1ccc(C)n1-c1sc2c(c1C(=O)NNC(=O)CCl)CCCC2	2383391	DHVDUBLQTKLTOU-UHFFFAOYSA-N	365.886	3.034	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(CC)cc1	8733149	LRBRHASGUAFYMW-AWEZNQCLSA-N	355.276	3.257	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1Cl	1303565	QGXGDSGYPKSJEX-CNHKJKLMSA-N	361.741	3.049	50	40	FGGB	
Cn1/c(=N\NC(=O)c2cc(F)c(F)cc2Cl)sc2ccccc21	3271261	BFBDBPIUQWZCKN-HMMYKYKNSA-N	353.781	3.417	50	40	FGGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc2c(c1)OCO2	20248376	VXWRLCRZKGNMPY-UFWORHAWSA-N	362.838	3.452	50	40	FGGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)c2ccc(F)cc2)cc1	4520371	BPMSTLKGRXSFJA-WSDLNYQXSA-N	372.396	3.310	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])cc1OC	408856891	RVFTYZFKHINUJP-GRSHGNNSSA-N	369.333	3.122	50	40	FGGB	
CCc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)cc1	409365189	TUEGNVMIPRBSJQ-DEDYPNTBSA-N	355.394	3.249	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1OCC	408861558	CWANFTRXVYRCNW-HYARGMPZSA-N	368.433	3.488	50	40	FGGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)NC1CCCCCC1	409004876	FWBQHGZQZOACQM-VXLYETTFSA-N	356.253	3.283	50	40	FGGB	
O=C(N/N=C/c1ccc2cccc(O)c2n1)c1cccc(Br)c1	858960	CQSOBGCPJAUUPB-VXLYETTFSA-N	370.206	3.467	50	40	FGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C(/C)CCc2ccccc2)cc1	5465642	NLMGGGOVYZYKTA-JCMHNJIXSA-N	353.422	3.149	50	40	FGGB	
NC(=O)c1cc2ccccc2o/c1=N\NC(=O)c1cc2sccc2s1	1889252042	IFQNUAMFQQJERQ-JZJYNLBNSA-N	369.427	3.054	50	40	FGGB	
C[C@@H]1CC(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2C(F)(F)F)O1	1073729	SGXISDZONFGUIN-OQPBUACISA-N	350.296	3.103	50	40	FGGB	
CCN1CC=C2[C@H](C1)[C@H](c1ccc(Cl)s1)C(C#N)=C(N)C2(C#N)C#N	971505	JMGUNBRJOCQPKP-BLLLJJGKSA-N	369.881	3.147	50	40	FGGB	aggregator
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408790571	WYBWGPRLIKAPDE-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)cc1	408962689	ZZFJMWKLNFELOD-HMAPJEAMSA-N	367.449	3.133	50	40	FGGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(O)c(OC)c2)cc1OCC	409315268	UWZJOCRMNFNBMP-BKUYFWCQSA-N	372.421	3.352	50	40	FGGB	
COc1cccc2c(SCC(=O)N/N=C/c3ccco3)cc(C)nc12	871163	MZSKUIABUPLBEM-VXLYETTFSA-N	355.419	3.387	50	40	FGGB	
CC(C)=NNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1	19948512	HFXZIIBUFAQXQZ-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2ccc(Cl)cc2)cc1	5288574	UQJFAQJDLODUSB-LPYMAVHISA-N	373.840	3.412	50	40	FGGB	
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3ccncc3)c2Cl)cc1	2746127	NJMCDLOQRHMGTG-SRZZPIQSSA-N	353.813	3.301	50	40	FGGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2cccc(F)c2)cc1	59104744	HJQBZOWMWBISNW-HYARGMPZSA-N	350.397	3.446	50	40	FGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C	409000980	ZMCNCRNTXOLYPM-CIAFOILYSA-N	365.389	3.238	50	40	FGGB	
CCN1CC=C2[C@@H](C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N	33936204	VHRXMNZCQHBQEN-SJLPKXTDSA-N	363.852	3.085	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)c(F)c1)c1ccccc1Cl	409140909	FPELEZBMGKDJAT-CIAFOILYSA-N	361.804	3.080	50	40	FGGB	
CCc1ccc(/C=N\NC(=O)[C@@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1	409170661	WWCVDMDXPWHVEP-JVMBGAFUSA-N	363.461	3.315	50	40	FGGB	
CCc1ccc(/C=N\NC(=O)[C@H]2CC(=O)N(c3ccc(CC)cc3)C2)cc1	409170659	WWCVDMDXPWHVEP-CSMVZQPBSA-N	363.461	3.315	50	40	FGGB	
O=C(Oc1ccc(C=NNC(=O)c2ccccc2O)cc1)c1ccccc1	15989581	PGZAIQBQSMBBGS-UHFFFAOYSA-N	360.369	3.375	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)cc1	409373316	UFQZMHOOFKZKIY-FOWTUZBSSA-N	350.374	3.263	50	40	FGGB	
CCCCn1nc(C)c(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253406141	UFOMBCLXKLKJBX-CQSZACIVSA-N	360.845	3.460	50	40	FGGB	
CCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2C)c2ccccc21	100854235	IDJXNYVUVLDWJJ-ATJXCDBQSA-N	365.433	3.041	50	40	FGGB	
O=C(NNc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	37171098	MVTZVXRXQRWDRO-LLVKDONJSA-N	364.232	3.490	50	40	FGGB	
O=C(NNC(=S)Nc1ccccc1)c1ccccc1Br	3071130	VACQXSSDOACSIH-UHFFFAOYSA-N	350.241	3.081	50	40	FGGB	
N#C/C(=C/c1cccs1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	2352631	HDSPISUGFAIXPV-NTMALXAHSA-N	357.460	3.333	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)c(C)c1	408776045	MRNKRJXCZVYFDR-GDNBJRDFSA-N	352.390	3.473	50	40	FGGB	
O=C1NN=C(c2ccccc2)C[C@@H]1P(=O)(c1ccccc1)c1ccccc1	97952655	VCERTAWDAJLQIW-NRFANRHFSA-N	374.380	3.293	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(OCC)c1	108153284	QICSJTBGRXYBRJ-MOSHPQCFSA-N	371.393	3.085	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c(OC)c1OC	1237015	OKBTVERIJZIXQN-HNNXBMFYSA-N	369.421	3.344	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(F)cc2)c(F)c1	408966200	KJYRKARDKOXNOQ-FSJBWODESA-N	350.328	3.391	50	40	FGGB	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12	15974720	QRPNEJVOUVPULO-LTNVFZTJSA-N	370.453	3.234	50	40	FGGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2cccc(N(C)C)c2)cc1	408953153	OMJMEFXIEIIAIY-PXLXIMEGSA-N	362.433	3.316	50	40	FGGB	
O=C(N/N=C/c1ccsc1)c1cccc(I)c1	408997480	GSXZVYNKOPVGKY-VGOFMYFVSA-N	356.188	3.117	50	40	FGGB	
CCCCn1nc(C)c(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	253406139	UFOMBCLXKLKJBX-AWEZNQCLSA-N	360.845	3.460	50	40	FGGB	
N#CCOc1ccccc1/C=N\NC(=O)Cc1ccc(Br)cc1	13595311	GKWQHGFXVIUMJJ-NDENLUEZSA-N	372.222	3.044	50	40	FGGB	
C[C@H](Sc1ccccc1)C(=O)NNC(=O)[C@@H](C)Sc1ccccc1	40158850	KOWVYCOBJKAIMO-OKILXGFUSA-N	360.504	3.495	50	40	FGGB	
O=C(N/N=C/c1ccc(F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1	59101501	VLDCXQGGIMYJGV-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
N#C/C(=C/c1cc(Br)co1)C(=O)Nc1ccc(C(=O)O)cc1	58357648	MARPKPJQCLIAAH-YHYXMXQVSA-N	361.151	3.286	50	40	FGGB	
CC(=O)NCc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	8721240	HYVIVWOGDPEJHC-UHFFFAOYSA-N	368.824	3.281	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C\c1nn(Cc2ccccc2)cc1-c1cccnc1	96767600	PZPLZKLBGRRTJE-ODLFYWEKSA-N	371.444	3.425	50	40	FGGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)NCCc1c[nH]c2ccccc12	408948787	GSTBVZBXZBUNOW-WJDWOHSUSA-N	360.373	3.342	50	40	FGGB	
COc1ccc(CC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)cc1	408961327	ROPSOQRPRHHKRN-JCMHNJIXSA-N	351.450	3.297	50	40	FGGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(N)=O)CCCC3)o1	781523	IMZYHUBSPARRBJ-DHZHZOJOSA-N	355.419	3.173	50	40	FGGB	
CC(C)(C)OC(=O)NNC(=O)c1ccccc1C(=O)c1ccc(F)cc1	12989155	XIPDTQLUXPUPOZ-UHFFFAOYSA-N	358.369	3.226	50	40	FGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccccc1O	16693973	PYTWNVSFEASKDT-ATVHPVEESA-N	359.385	3.097	50	40	FGGB	
COC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@H]1c1ccccc1F	20792599	OPPKVTVGKRAZTG-VOWSPCBNSA-N	351.381	3.069	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2(C(F)(F)F)C(F)(F)F	978360	FSVVSXWCIUIYJI-UHFFFAOYSA-N	354.250	3.465	50	40	FGGB	
COc1cc(C)ccc1CCCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1444646	AIVCUAHJZMLEGH-DEDYPNTBSA-N	355.394	3.385	50	40	FGGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	12857947	CYZNMVWCRWRJOD-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1ccccc1Cl	39383926	RJQCZDLGGYZETD-YVNNLAQVSA-N	368.824	3.010	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1	39402867	UKRISQSUUOHYLU-RGVLZGJSSA-N	366.333	3.022	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C(\C)c1cccc(OC(F)F)c1	5638212	HLYXCBMCFALAGH-WSDLNYQXSA-N	363.364	3.249	50	40	FGGB	
COc1cc(/C=N/N(C)C(=O)OCc2ccccc2)cc([N+](=O)[O-])c1OC	409191023	YSLBVAUOFUYNEY-YBFXNURJSA-N	373.365	3.215	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2ccc(F)cc2)cc(Br)c1O	30822003	JXAJBQYRWHHFBA-LSCVHKIXSA-N	367.174	3.066	50	40	FGGB	
Cc1cc(N(CCC#N)CCC#N)ccc1/C=N\NC(=O)c1ccccc1	31870916	ZSEGDHLISCXXDD-JLPGSUDCSA-N	359.433	3.393	50	40	FGGB	
CC1=NN(C(=O)Nc2ccccc2)[C@@](C)(NNC(=O)Nc2ccccc2)C1	5416532	LIFYLZNTNZXGMZ-LJQANCHMSA-N	366.425	3.343	50	40	FGGB	
Cn1cccc1C(=O)NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1	32814718	UNIJSYADYOTPEP-FQEVSTJZSA-N	372.428	3.365	50	40	FGGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1	102820980	VMYLDGNGPNWWIC-NTEUORMPSA-N	362.794	3.319	50	40	FGGB	
N#C/C(=C/Nc1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(Cl)cc1	5488897	VMYLDGNGPNWWIC-ZROIWOOFSA-N	362.794	3.319	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(OC)c1	408905127	UBQRURPITCPVAX-GRSHGNNSSA-N	369.333	3.122	50	40	FGGB	
N#Cc1ccc(-c2ccc(/C=N\NC(=O)Cc3ccccc3[N+](=O)[O-])o2)cc1	34794111	PNVDEZTVMIQJSH-XKZIYDEJSA-N	374.356	3.419	50	40	FGGB	
N#C/C(=C\c1ccc([N+](=O)[O-])o1)C(=O)Nc1cccc(Br)c1	1210737	GFMSEBAWIAVEFN-RMKNXTFCSA-N	362.139	3.496	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(Br)c1	100179805	HOUHLJHIHGUUCB-IACKPNEHSA-N	351.244	3.431	50	40	FGGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cccc(O)c1O	6684477	YHAWBFIERLLWFQ-LPYMAVHISA-N	362.385	3.294	50	40	FGGB	
COC(=O)N1[C@@]23CCCC[C@]12C[C@@H](Br)[C@@H](Br)C3	100969116	ZYSHFWMDSDURTO-KCAHNQJMSA-N	367.081	3.441	50	40	FGGB	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNC(=O)c1ccc(Br)cc1	104214253	SQPCBRCWVVSFLZ-DRZSPHRISA-N	351.244	3.036	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)s1	4724088	YPHKSFSUMIUAGD-KGENOOAVSA-N	350.443	3.443	50	40	FGGB	
C/C(=N\NC(=O)CNC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1	4844227	LOTZPOCXSPSERV-DJKKODMXSA-N	370.261	3.325	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc(C)c1Cl	5924524	IFSWIOILXLCKRE-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
C/C(Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2)=C(/C#N)C(N)=O	7735685	XTYPQPVSJCEILN-IMTQZCPYSA-N	361.467	3.133	50	40	FGGB	
CC/C(=N\NC(=O)COc1ccc(OC)cc1)c1ccc(OC)c(OC)c1	20786601	SQDODJNBMCJLDA-HEHNFIMWSA-N	372.421	3.022	50	40	FGGB	
N#C/C(=C\c1cc2c(cc1[N+](=O)[O-])OCO2)c1nc2ccc(F)cc2[nH]1	408565862	BQUHPIUQIGJNOC-XCVCLJGOSA-N	352.281	3.403	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1OC	1073982	SGSFECSPLBOAKW-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
Cc1c(OC[C@H](O)CCl)ccc2c(C)c(OC[C@@H](O)CCl)ccc12	1889128719	RHTQQSMGNUGGLB-OKILXGFUSA-N	373.276	3.414	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1	1061569	FZGOIABNKRLZBC-RGVLZGJSSA-N	366.333	3.022	50	40	FGGB	
CC(C)(C)[C@H](Br)C(=O)NCCC(=O)Nc1cccc(F)c1	8733099	NKHXZEQBBKZNEI-CYBMUJFWSA-N	359.239	3.080	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2)s1	673670	OAKFFZNDVBXORV-LZYBPNLTSA-N	353.241	3.348	50	40	FGGB	
Cn1/c(=N\NC(=O)c2ccc(-c3cnco3)cc2)sc2ccccc21	103599958	QALQXOPSMABRIY-DYTRJAOYSA-N	350.403	3.141	50	40	FGGB	
Cc1ccc(C(O)(C(=O)N/N=C/c2cccc(O)c2)c2ccc(C)cc2)cc1	2299435	MCTSLIREINLXLO-BUVRLJJBSA-N	374.440	3.395	50	40	FGGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NC(N)=O	409246489	BXNPIMJNKWIAAA-SOFGYWHQSA-N	350.161	3.355	50	40	FGGB	
CO[C@H](C(=O)N/N=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccccc1	409197609	KDKMGRPQVADJDO-LWAXZCTGSA-N	369.465	3.122	50	40	FGGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3sccc3C)CC2=O)cc1	38159760	PURZZNDYDVSQGG-PFHZTYADSA-N	355.463	3.122	50	40	FGGB	
CCn1nc(C)c(Cl)c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	253400160	KVAJWKRZLGEHNO-ZDUSSCGKSA-N	360.845	3.316	50	40	FGGB	
C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc([N+](=O)[O-])cc1	4953934	MQRSXKHPWUELBZ-JAIQZWGSSA-N	367.340	3.278	50	40	FGGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC	8846158	ZQFJALWNLDBCJZ-IBGZPJMESA-N	351.406	3.284	50	40	FGGB	
O=C(N/N=C/c1cccnc1)c1ccc(CN2CCc3ccccc3C2)cc1	408865830	DVQIFSLYMBBDNI-MFKUBSTISA-N	370.456	3.404	50	40	FGGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	409382606	VAZCTEAWOVWENW-CIAFOILYSA-N	370.409	3.227	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=N\NC(=O)c1cc2ccccc2o1	34379459	VORHFUJAWNVODF-JAIQZWGSSA-N	354.362	3.223	50	40	FGGB	
C[C@]12CC[C@H]([C@H](Br)C1=O)[C@@]2(C)CI	103672717	RRHSBISFIQTULS-GOZTYBTRSA-N	357.029	3.190	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OC(F)F)cc1OC	3231931	HCDCPLKNEKYYTA-KEBDBYFISA-N	350.321	3.069	50	40	FGGB	
Cc1cc2c(c(=O)n1C)[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2213340	ZHMMQAQEYGVJKG-CYBMUJFWSA-N	362.216	3.219	50	40	FGGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1ccc(F)cc1F	36308786	IBECGQHPSWXJQY-SRZZPIQSSA-N	350.394	3.004	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc1OC	13858055	XJVOWZDXKPHHJT-CIAFOILYSA-N	356.422	3.240	50	40	FGGB	
Cc1ccsc1/C=N\NC(=O)[C@H]1COc2cc3ccccc3cc2O1	67197027	UAESCAQPOODHFP-GTNUZRKBSA-N	352.415	3.500	50	40	FGGB	
C/C(=N\NC(=O)Cc1ccc(C)cc1C)c1ccc(N2CCOCC2)cc1	20195388	AOWSOUQQDMZARM-PTGBLXJZSA-N	365.477	3.223	50	40	FGGB	
COC(=O)N1[C@@]23CCC[C@]12C[C@@H](Br)[C@@H](Br)C3	101042594	ZOCWMTAEBWJOTF-HPTYORNYSA-N	353.054	3.051	50	40	FGGB	
O=C(N/N=C/c1cc(Br)ccc1O)[C@H]1C[C@@H]1c1ccccc1	3162000	PHSYTYIHVPUCFZ-LILRULDKSA-N	359.223	3.409	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OC)c2O)cc1	1319906	SIMBQLDLMYDEKC-STCDJXRXSA-N	356.422	3.443	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OC	20195117	PFIZIRZJTPJMGV-HYARGMPZSA-N	350.418	3.017	50	40	FGGB	
O=C(NNC(=S)NC(=O)c1cccc(Cl)c1Cl)c1cccs1	32119195	YBNNUIKPBCTPKE-UHFFFAOYSA-N	374.274	3.004	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc2ccc(Cl)cc12	8881177	OYFXAEIVBLISNI-UHFFFAOYSA-N	372.764	3.198	50	40	FGGB	
O=C(N/N=C\c1ccc(O)cc1O)C1c2ccccc2Oc2ccccc21	4724450	SKLLCLGJGJFRKT-UUYOSTAYSA-N	360.369	3.486	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4)ncnc32)cc1C	7393246	IJLWEOWIQFZSNA-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
CC(=O)/C=C(\NNC(=O)c1cccc(Br)c1)c1ccccc1	85434154	VVFVJGAIBBITHW-YBEGLDIGSA-N	359.223	3.314	50	40	FGGB	
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)c1	15223202	XDJPHININJTPAI-LSHDLFTRSA-N	363.339	3.411	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)c1	6189274	MJRDBQPVKJEGHL-LPYMAVHISA-N	362.433	3.321	50	40	FGGB	
Cn1cc(/C=N/NC(=O)c2cc(Br)ccc2O)c2ccccc21	6335095	XSSHYTZGMXVKPD-DJKKODMXSA-N	372.222	3.410	50	40	FGGB	
C/C(=N\NC(=O)CCCCCNC(=O)c1ccccc1)c1ccccc1O	18128195	UULBVFIJAPXLBJ-XQNSMLJCSA-N	367.449	3.223	50	40	FGGB	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCc1ccsc1	18052448	SIXMFKFDBVUFFN-CQSZACIVSA-N	368.458	3.449	50	40	FGGB	
O=S(=O)(c1ccccc1)[C@@H]1CCCC[C@@H]1I	1679971	WEYYJMSZTHFYRV-NWDGAFQWSA-N	350.221	3.207	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O1	706756	YXRNQWSXAMRNAZ-QGZVFWFLSA-N	372.421	3.129	50	40	FGGB	
O=C(N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl)c1ccccc1	2327107	OZTJDONCBYPGSC-RGVLZGJSSA-N	371.849	3.375	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)ccc1OC	6880968	XASAAJYLRGAERV-GXDHUFHOSA-N	366.373	3.338	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1	96398771	LTCRSCOHWDITKS-CYTOCRRISA-N	370.449	3.086	50	40	FGGB	
CC(C)(C)[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1F	15423119	WJMBKXJPWIXTPL-CYBMUJFWSA-N	359.239	3.080	50	40	FGGB	
CC(C)(C)[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1F	15423117	WJMBKXJPWIXTPL-ZDUSSCGKSA-N	359.239	3.080	50	40	FGGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2ccccc2Cl)cc1	3166510	FQJHKQKPBSXIDO-UDWIEESQSA-N	359.813	3.218	50	40	FGGB	biogenic
CCC[C@@H](Oc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1	2674466	IOKGTZHWXALPOU-INKLHFNDSA-N	369.465	3.459	50	40	FGGB	
CCCCCN1C(=O)/C(=N\NC(=O)c2ccc(O)cc2)c2ccccc21	102434380	GEYWTZAETCZBCT-UZYVYHOESA-N	351.406	3.063	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1ccc(C#N)cc1	409206955	RPURBYGBAXOLOT-VCHYOVAHSA-N	373.412	3.331	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2C)cc1	408797035	ZXNPAVULRFPMJA-LFIBNONCSA-N	350.374	3.336	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	66202184	UPBMHAVGLGQPER-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	408913324	SUQYYIXZHLUASG-HJGOWHJKSA-N	365.433	3.159	50	40	FGGB	
O=C1NN=C(c2ccccc2)C[C@H]1P(=O)(c1ccccc1)c1ccccc1	97952654	VCERTAWDAJLQIW-OAQYLSRUSA-N	374.380	3.293	50	40	FGGB	
CO[C@H]1C[C@@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431188	HMZBDIASJKIJQB-XQHKEYJVSA-N	370.203	3.047	50	40	FGGB	
O=C(N[C@H]1CC[C@H](N(C(=O)CCl)C2CC2)CC1)OCc1ccccc1	242718274	XHSFZMPVIJXPHT-WKILWMFISA-N	364.873	3.454	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc1	2675929	QGLQMLMMEDXSNX-XQNSMLJCSA-N	351.450	3.436	50	40	FGGB	
CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2OC(C)=O)cc1	3050693	RHRHTRRAEXDBDX-HYARGMPZSA-N	368.433	3.484	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)Cc2ccc(OCC)cc2)cc1OC	10475972	RESKKDMTPMDJIS-PXLXIMEGSA-N	368.433	3.352	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc3ccccc3cc2O)c1	5357957	FJRNOEXHRBDXOY-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)cc1	6560388	PZNNHSRMZBGZGY-UHFFFAOYSA-N	364.854	3.292	50	40	FGGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1	4724388	OVBZCTGOPYDGDL-UDWIEESQSA-N	355.394	3.421	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@H]2C1	19816284	MUDMBGZDEAGYCP-ZWKOTPCHSA-N	363.852	3.085	50	40	FGGB	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)cc1OC	408807316	BSVHRBANFYIXJG-BOPFTXTBSA-N	366.417	3.326	50	40	FGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(Br)ccc1O	408749059	KTXXBUMXBSTBHI-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
NNC(=O)c1cc(Br)c2[nH]c(-c3ccc(Cl)cc3)nc2c1	226344651	XUVDMHTYXMXWBS-UHFFFAOYSA-N	365.618	3.249	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1	13922778	WLLKBJOBUCZSOP-VXLYETTFSA-N	361.854	3.459	50	40	FGGB	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)NCc1ccco1	17074367	NDIRUPUUMKTLMB-GHXNOFRVSA-N	361.195	3.274	50	40	FGGB	
COc1ccc2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	803734	HUXOEXDIKFJOJI-SFHVURJKSA-N	360.369	3.328	50	40	FGGB	
COc1ccccc1C(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1	831992	JVVSKJXNBMMQID-UHFFFAOYSA-N	360.413	3.366	50	40	FGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	59483752	ZBZJGFHITDEOLO-HYARGMPZSA-N	367.449	3.472	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1	59473705	YBEPIVGCQBELRC-RGVLZGJSSA-N	356.447	3.165	50	40	FGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(OCC(C)C)cc2)n1	408863706	QEPKNRDKNHFSCE-KEBDBYFISA-N	372.494	3.371	50	40	FGGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccccc3Cl)CC2=O)cc1	409163689	WIMKIDDXGYPNSY-YSUUHWHMSA-N	369.852	3.406	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408844583	HZLHZIXJZKCRAJ-IVFJLDLVSA-N	372.432	3.088	50	40	FGGB	
O=C(N/N=C\c1ccc(N2CCOCC2)cc1)c1ccc(-n2cccc2)cc1	409105066	FZRKTONSGWIJGP-QJOMJCCJSA-N	374.444	3.078	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cc(OC)ccc2OC)cc1	223173500	ZWWJGYQBXXQLAE-GDNBJRDFSA-N	366.373	3.036	50	40	FGGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)c1cccc(Br)c1)C(=O)N2	3148451	AUKIPBDAMYDLIB-UHFFFAOYSA-N	372.222	3.152	50	40	FGGB	
CCc1cccc(OCC(=O)N/N=C/c2ccc(Br)o2)c1	959701	PORVMQPMUORDAZ-RQZCQDPDSA-N	351.200	3.134	50	40	FGGB	
O=C/C(=C\Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1)c1nc2ccccc2o1	5337134	LLTFIPGPOAMJQE-CSKARUKUSA-N	354.278	3.296	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4cccc(C)c4)ncnc32)cc1	4355180	VSMAAPHKVGUPKB-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1cccnc1	829879	HZJPMSPGWBIUTK-QGMBQPNBSA-N	368.618	3.027	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2Br)cc1[N+](=O)[O-]	59447281	GIWRUDMRRUUCQL-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)o1	408998942	QWXWNQPXXPFUPK-GIJQJNRQSA-N	351.859	3.383	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(OCC)c1O	408966384	LHUFOQYSLJJGEF-FSJBWODESA-N	367.380	3.294	50	40	FGGB	
COc1ccccc1NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl	48572046	SQGSXFXGKAXHPT-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1N	2744625	OXQNGEFOZCBVTO-SRZZPIQSSA-N	353.813	3.180	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	6959723	WWNHPGFJLASYTM-HYARGMPZSA-N	374.400	3.184	50	40	FGGB	
C/C(=N/NC(=O)c1cccs1)c1cccc(NC(=O)C(F)(F)F)c1	695760	JMGPGVXUAMJYDL-UKWGHVSLSA-N	355.341	3.403	50	40	FGGB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1cccs1	103918390	VHDWXTMDNQCJDZ-LGMDPLHJSA-N	368.462	3.459	50	40	FGGB	
C=CCNC(=S)NNC(=O)c1cc(-c2ccccc2)nc2ccccc12	6819849	WQVXGGLRDTYVCZ-UHFFFAOYSA-N	362.458	3.197	50	40	FGGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Cl	409139596	BJWILBJOUVVUBA-SFHVURJKSA-N	367.836	3.082	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccco2)o1	408874362	BNVBTKNJDOPHOB-VCHYOVAHSA-N	355.306	3.220	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)cc1	1453591	GEJICPKWJVENCS-XNTDXEJSSA-N	366.373	3.123	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc([N+](=O)[O-])c1O	59145575	SHDNTXIGTBBAKC-MDWZMJQESA-N	353.334	3.245	50	40	FGGB	
O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1F	3375526	NEVIKPYJLHWTEC-UHFFFAOYSA-N	364.376	3.480	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C/c1ccccc1C(F)(F)F	3577294	HXWKNTGUOCXSHY-LSHDLFTRSA-N	351.328	3.276	50	40	FGGB	
Cc1cc(C)c(S(=O)(=O)NNC(=O)c2oc3ccccc3c2C)c(C)c1	12993398	GXQDONDUQOZDAF-UHFFFAOYSA-N	372.446	3.290	50	40	FGGB	
COc1ccc(-n2cccc2/C=N\NC(=O)Cc2cccc(OC)c2)cc1	408952963	NMFFVXNZIKPREN-JCMHNJIXSA-N	363.417	3.187	50	40	FGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccncc1	408982900	ZRLJMKFILFQNSD-HSJQUHBMSA-N	372.428	3.093	50	40	FGGB	
C=CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	409145507	QNWIQBFMBAJETH-LJQANCHMSA-N	350.374	3.184	50	40	FGGB	
NNC(=O)c1cc(-c2ccccc2OCc2cccc3ccccc23)n[nH]1	35576342	ONEIWWIIAOCSNL-UHFFFAOYSA-N	358.401	3.412	50	40	FGGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCC#N	6170122	UJSDFICIBQINCT-BUVRLJJBSA-N	373.412	3.444	50	40	FGGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2	1065974	SXSIEYHTQLTUBR-KRWDZBQOSA-N	351.454	3.427	50	40	FGGB	
Cc1noc(C)c1CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	22190804	GCWZCWQYVAKIGF-UHFFFAOYSA-N	361.467	3.016	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Cc3ccccc3)o2)cc1	409007661	QCKRFMAUXDQPQJ-HYARGMPZSA-N	362.385	3.426	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CC[C@@H](O)c2ccccc2)cc1	58887136	DUEOKEMRDPJBTM-JFLDFIPSSA-N	353.466	3.497	50	40	FGGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NC[C@H]1CCCO1	26964749	IJWNMLXPEVAKTR-VSKPTYQZSA-N	367.361	3.057	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)ccc(OC)c3[nH]2)cc1	2230682	OZWDEDSMQLPKEH-CIAFOILYSA-N	367.405	3.348	50	40	FGGB	
Cc1occc1C(=O)N/N=C/c1ccc(Br)c([N+](=O)[O-])c1	4150795	OILCARJOQXZHQY-VIZOYTHASA-N	352.144	3.023	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCCCC2)cc1	5611896	IRVGLWHBEAHHGA-PXLXIMEGSA-N	367.449	3.215	50	40	FGGB	
O=C(CCC(=O)c1cccs1)NNC(=O)c1cc(Cl)ccc1Cl	6982935	KQBQDFOAVFLLQW-UHFFFAOYSA-N	371.245	3.479	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(O)cc1	409024299	POAYBJQYGHUBLP-CIAFOILYSA-N	369.808	3.365	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)COc2cccc(C)c2C)ccc1OC	30843274	IQSLKMIMMNQQMO-MTJSOVHGSA-N	356.422	3.240	50	40	FGGB	
Cc1cccc2c(=O)n(CC(=O)N/N=C3/C[C@H]4CC[C@@]3(C)C4(C)C)cnc12	102166684	HCYGIAVONSVJRE-KDMATMPASA-N	366.465	3.023	50	40	FGGB	
CCCCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1	2690745	REUQUUIABNKDOM-UHFFFAOYSA-N	369.490	3.031	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)CCc2ccccc2)cc(C)c1Cl	4957240	FFCMKLGAZWDAQL-UHFFFAOYSA-N	360.841	3.116	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2C)c1	108208181	AIWOTOLATYVOEM-HMAPJEAMSA-N	367.449	3.376	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)cc1	12466539	STFGKURRUGCVKH-XKZIYDEJSA-N	363.373	3.282	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](Cc1ccccc1)C(C#N)=C(N)O2	2228014	XNXMEEZEPXORKH-QGZVFWFLSA-N	373.412	3.211	50	40	FGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccco2)c(C#N)c1C	408546902	ORRBXTAWYNOOPU-KPKJPENVSA-N	354.387	3.417	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(Cl)cc2)CC(=O)N1	9014216	FJKKRTMFXFUJFU-ZDUSSCGKSA-N	364.854	3.365	50	40	FGGB	
CCN(NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccc(C)cc1	14941331	GVHIQHJFJOYDNA-UHFFFAOYSA-N	366.870	3.223	50	40	FGGB	
O=C(CP(=O)(c1ccccc1)c1ccccc1)N/N=C/c1cccs1	95861034	LQEYCJXUZMEVBL-XSFVSMFZSA-N	368.398	3.212	50	40	FGGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)C(=O)N2CCCC2)o1	409369977	IQIOYKKUKIBUTF-RVDMUPIBSA-N	350.374	3.483	50	40	FGGB	
CCOC(=O)CS[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl	101411117	UZIWDTJWIIKKBC-CYBMUJFWSA-N	370.685	3.496	50	40	FGGB	
Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(F)cc2)cc1	17040996	QLLPXFWKUNLVKE-UHFFFAOYSA-N	362.368	3.020	50	40	FGGB	
O=C(CCn1nnc2ccccc21)N/N=C/c1ccc(Cl)cc1Cl	704807	MLVDXUCHWGXYNY-VXLYETTFSA-N	362.220	3.279	50	40	FGGB	
COc1cc(SC)ccc1C(=O)NNC(=O)c1cccc(Cl)c1	2628767	LHPDMUPVFOUHDU-UHFFFAOYSA-N	350.827	3.145	50	40	FGGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cc2c(cc1Cl)OCO2	59419193	MOZGJVGASYPMLO-UFWORHAWSA-N	351.189	3.415	50	40	FGGB	
C#CCOc1cccc(/C=N/NC(=O)CNc2cccc3ccccc23)c1	409392283	OTNXEPALQJOMJR-BUVRLJJBSA-N	357.413	3.414	50	40	FGGB	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1	17073943	CJHHUQSMKSOJBN-BOPFTXTBSA-N	358.401	3.309	50	40	FGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OC	408817710	WXGGVKZINUHIGR-PTNGSMBKSA-N	350.349	3.392	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccccn2)cc1	29327489	ZCYVWZONRLFHLO-IBGZPJMESA-N	360.417	3.124	50	40	FGGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1ccccn1	104080185	TWXOEHVIQRDKGI-BKUYFWCQSA-N	365.264	3.130	50	40	FGGB	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc(C(=O)O)cc1	33499380	KBWFVGYHIJUROO-GHXNOFRVSA-N	371.736	3.492	50	40	FGGB	
Cc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1O	844821	BJLPKZWVCUWSPU-HZHRSRAPSA-N	360.413	3.087	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc(OC)c1O	993510	GMKDDFRWPUVDPY-CIAFOILYSA-N	356.422	3.471	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1	59302477	YTKIYMGRCYGGEZ-VQCBNXJZSA-N	350.374	3.393	50	40	FGGB	
COc1ccc(Br)cc1/C=N\NC(=O)Cc1ccc(F)cc1	111669179	LPDHQKZBTBROAR-GRSHGNNSSA-N	365.202	3.290	50	40	FGGB	
Cc1c(C(=O)NNS(=O)(=O)c2cccc(Cl)c2)oc2ccccc12	7380358	IPRWYGVWVHXCNQ-UHFFFAOYSA-N	364.810	3.018	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1F)c1ccc(Br)cc1	1444075	HSYRAYVBXLSKPW-CAOOACKPSA-N	366.146	3.260	50	40	FGGB	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc([N+](=O)[O-])cc1	1797642	FADOIVAXZFRKRR-RQZCQDPDSA-N	372.431	3.447	50	40	FGGB	
O=[N+]([O-])c1cccc([C@H](O)P(=O)(OCCCl)OCCCl)c1	2045552	MYEUZBJSSUKJQF-LLVKDONJSA-N	358.114	3.290	50	40	FGGB	
Cc1ncsc1C(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F	104636942	FNIPYJQQFWUWJA-WDEREUQCSA-N	369.368	3.035	50	40	FGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1	59386518	JABHJHHODVCPDQ-FYJGNVAPSA-N	353.422	3.298	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1OCC	107912167	DHFMNXVZLVKBIP-MOSHPQCFSA-N	371.393	3.085	50	40	FGGB	
O=C(CCCC(=O)c1cccs1)NNC(=O)c1cc2c(s1)CCC2	25092312	XPICQLBHZQSHET-UHFFFAOYSA-N	362.476	3.113	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(O)c([N+](=O)[O-])c1	408598683	IJKRPOWLNPHVBS-RGVLZGJSSA-N	371.393	3.370	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccn2)o1	1063902	NGMLIXAMUAQNTD-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc(C)c1Cl	910148	GUJWKEHWOLXQOB-DNTJNYDQSA-N	360.797	3.215	50	40	FGGB	
O=C1Nc2ccccc2/C1=N/NC(=O)c1cccc(Cc2cccs2)c1	5648464	SBQDNQVCOCNUOM-UHFFFAOYSA-N	361.426	3.425	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccccc1C(F)(F)F	5361956	DTIJOXRZHODBQW-UFFVCSGVSA-N	352.312	3.243	50	40	FGGB	
O=C(N/N=C\c1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1	5464641	IIARSUCTPRZFNC-MTJSOVHGSA-N	360.373	3.499	50	40	FGGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1	11296512	XEUOKJLCYMMRKK-RVDMUPIBSA-N	372.388	3.048	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1	10475869	QFTDYOKIMGMLNC-KEBDBYFISA-N	360.797	3.160	50	40	FGGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	972465	GXWOPCLCBLBSEV-QGZVFWFLSA-N	359.385	3.077	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1	5128058	LTCRSCOHWDITKS-DYKIIQMKSA-N	370.449	3.086	50	40	FGGB	
COc1ccc(/C=N\NC(=O)CSc2ccc3ccccc3n2)cc1	32121694	LBXRRKPCOIEUCH-NDENLUEZSA-N	351.431	3.486	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccccn1	2308029	XKZVTNVUDLPGTJ-QGMBQPNBSA-N	368.618	3.027	50	40	FGGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)NCCc1c[nH]c2ccccc12	4513083	IRHYKIQVCIHJBA-WJDWOHSUSA-N	360.373	3.342	50	40	FGGB	
Cc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1	59514903	KPYOQZJXRLMMMO-HYARGMPZSA-N	358.401	3.406	50	40	FGGB	
CCCCNC(=O)NNC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	1831788	YXXPDMHJVOJDSK-SFHVURJKSA-N	351.450	3.123	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	59401594	ARYCFMHYKUEYMM-DEDYPNTBSA-N	369.377	3.322	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)CNc2cccc3ccccc23)c1	5335168	DQBZPAIEFKMXTJ-YDZHTSKRSA-N	363.417	3.419	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	4575904	KVNNFUUULHATFA-RVDMUPIBSA-N	366.329	3.284	50	40	FGGB	
CN(C)c1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)cc1	9090068	HUVQICHWHIPMSJ-KRWDZBQOSA-N	350.447	3.053	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1	30822653	ZFXLPXJUSPITGR-GHOUAXAESA-N	371.393	3.343	50	40	FGGB	
CC[C@H](NC(=O)NNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C)cc1	40068957	DNINOZQILROIHW-INIZCTEOSA-N	371.437	3.108	50	40	FGGB	
C[Sn](C)(Br)CCCBr	195778039	DAABHFKNEZHVPU-UHFFFAOYSA-M	350.670	3.371	50	40	FGGB	
C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1	4898975	SHUOWLVXHKLNSE-YBFXNURJSA-N	370.390	3.369	50	40	FGGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccncc1	409241126	IYGWVENQFCYUAI-QRVIBDJDSA-N	350.397	3.321	50	40	FGGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c1	408996616	JHWZCIPVEGBZSR-UFFVCSGVSA-N	369.764	3.457	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O[C@@H](C)C(=O)O	409009926	CNOWZNSIICLVJB-OJNRTJSBSA-N	366.373	3.093	50	40	FGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2ccc(Cl)cc2)c1O	36236330	KZBDMDKVDXJZLM-NVMNQCDNSA-N	363.757	3.116	50	40	FGGB	
N#C/C(=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1)C(N)=O	408987096	AGYQLWDVZZYTPZ-VMPITWQZSA-N	372.387	3.341	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1F)c1cccc(Br)c1	704662	LDRNIGGNRUQLMF-CAOOACKPSA-N	366.146	3.260	50	40	FGGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(O)cc1O	829287	JEIVZPRONUFMDR-QGMBQPNBSA-N	350.827	3.135	50	40	FGGB	
Cc1ccc(SCC(=O)NNC(=O)CSc2ccc(C)cc2)cc1	15467324	PEYZRONXPUOEOI-UHFFFAOYSA-N	360.504	3.335	50	40	FGGB	
O=S(=O)(CI)c1ccc(Cl)c(Cl)c1	1871205	UAJOCNUHBIXQNN-UHFFFAOYSA-N	350.992	3.160	50	40	FGGB	
COc1ccc(NC(=S)NC(=O)CCCCl)cc1Br	6275134	HSUGLZYEPWDNBX-UHFFFAOYSA-N	365.680	3.290	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)c(OCC)c1	6538079	QDVBSMCSBNLLQF-KGENOOAVSA-N	356.422	3.185	50	40	FGGB	
Cc1ccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)cc1	8733089	ACSRITMGVCWBTK-AWEZNQCLSA-N	355.276	3.249	50	40	FGGB	
Cc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)O)c(Cl)c1	408850135	GNPOCFMCSKLQKH-OCKHKDLRSA-N	361.785	3.267	50	40	FGGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2C)ccc1O[C@@H](C)C(=O)O	409021211	ZCUMNWRHUGPXSA-GHOUAXAESA-N	371.393	3.011	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)ccc1O	409228139	UOYZZHCIQASQRW-AQTBWJFISA-N	350.418	3.447	50	40	FGGB	
COC(=O)Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	409190498	ORNQGJKSZBUKTF-UFFVCSGVSA-N	369.808	3.232	50	40	FGGB	
N#CC(C(=O)COC(=O)/C=C/c1cccs1)=C1Nc2ccccc2N1	2662101	ZRHVKXHDGCZXFX-BQYQJAHWSA-N	351.387	3.146	50	40	FGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Cl)c2)cc1Cl	59459552	SIEHEGBAEXREJR-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
CCOc1ccccc1C(=O)NNC(=O)COc1cc(C)ccc1C(C)C	940177	OHYFYHUIESZUIY-UHFFFAOYSA-N	370.449	3.357	50	40	FGGB	
Cc1cc2c(c(=O)n1C1CC1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)O2	2221265	GJRFOVMNBJTEQD-MRXNPFEDSA-N	353.809	3.363	50	40	FGGB	
C=CCc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])cc(OC)c1OC	12906420	RXEHVQQGTIPCGF-UHFFFAOYSA-N	357.366	3.097	50	40	FGGB	
O=C(Cc1ccccc1)NN[C@H](C(=O)Nc1ccccc1)c1ccccc1	8986721	LMRMNWTYBFDHMP-NRFANRHFSA-N	359.429	3.230	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C#N)cc(OC)c1OC	5016784	LBLGDQGVHFYBHQ-NVNXTCNLSA-N	363.373	3.130	50	40	FGGB	
O=C(NNC(=O)C1CC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	8310591	FOUKALFCLNATPP-UHFFFAOYSA-N	366.446	3.026	50	40	FGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccccc1F	408886917	JWMZFJFPZAELSI-AWNIVKPZSA-N	360.772	3.459	50	40	FGGB	
COc1cccc(CC(=O)N/N=C/c2ccc(N3CCCCC3)cc2)c1	408853159	YVNZQDAFKJQNKD-CJLVFECKSA-N	351.450	3.378	50	40	FGGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(N)=O)cc1OC	408582994	QMTHQLZCRXVWHD-VGOFMYFVSA-N	372.808	3.285	50	40	FGGB	
O=C(NC[C@H]1CCCO1)C(=O)NN=C1CCCCCCCCCCC1	5480345	VBRZNCPGUUDLEW-QGZVFWFLSA-N	351.491	3.059	50	40	FGGB	
COc1cc(Br)ccc1OCC(=O)N/N=C/c1cccs1	1433707	DRNZBHGVFPMPRK-LZYBPNLTSA-N	369.240	3.048	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)ccc1O	409312627	FXEJJLCYNKXSMR-BKUYFWCQSA-N	372.421	3.352	50	40	FGGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)c1	408788796	HIPOYLNLWWGJLB-DHDCSXOGSA-N	352.390	3.473	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Cl)c1O	6958790	JTJHWCYKOUWXJY-RQZCQDPDSA-N	374.915	3.481	50	40	FGGB	
N#Cc1ccc(-c2ccc(OCC(=O)N/N=C/c3ccncc3)cc2)cc1	3289216	RKRCZQHKWRDOJI-ZVHZXABRSA-N	356.385	3.149	50	40	FGGB	
CCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccc(C)cc2)n1	27991386	PTXNBELLYRXMAE-UHFFFAOYSA-N	364.858	3.015	50	40	FGGB	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NC2CCCCC2)cc1	17072701	BIGBKNCJWGTBOM-PTNGSMBKSA-N	350.422	3.441	50	40	FGGB	
C=CCSC1=C(C#N)[C@H](c2ccccc2C)[C@H](C(=O)OCC)C(=O)N1	9320597	UKHWWKOJUJGIHR-HOTGVXAUSA-N	356.447	3.042	50	40	FGGB	
C=CCOc1ccc(Br)cc1/C=N\NC(=O)c1ccncc1	408971729	KLKBXFDWOGVYTM-ODLFYWEKSA-N	360.211	3.173	50	40	FGGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	585139609	CWBMUVJXVQJBBK-AITXVYHHSA-N	353.466	3.125	50	40	FGGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2sccc2C)cc1OC	2768738	YDWFPVRRNAFOJI-RVDMUPIBSA-N	356.447	3.340	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccc(NC(C)=O)cc1	107904299	SKBKBCHMFVNKDY-RGVLZGJSSA-N	359.813	3.461	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)ccc1O	59515518	LLCNXHKBIMZFKS-CIAFOILYSA-N	369.421	3.003	50	40	FGGB	
CCOC(=O)/C(C#N)=C/C=C/C(C)=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	104229708	GHHVSGXYOHXDPS-UWBNAPRMSA-N	372.337	3.388	50	40	FGGB	
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccc(C(=O)c2ccccc2)cc1	6440901	PWLVYPCECKEJES-UHFFFAOYSA-N	369.380	3.004	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c1	4550541	XRKIMBGMHWEEKG-MDWZMJQESA-N	352.306	3.357	50	40	FGGB	
O=C(N/N=C\c1c[nH]c2ccccc12)c1cc(Br)ccc1O	73399356	VZMJMBVAVADAHD-OCKHKDLRSA-N	358.195	3.400	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2OC)cc1	223173414	LSTIDUKZGFECDC-PTNGSMBKSA-N	366.373	3.036	50	40	FGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)Cc2ccccc2)o1	8103025	HRGYNWXOTQZERZ-HYARGMPZSA-N	362.385	3.426	50	40	FGGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@@H](O)c1ccccc1	5603447	XJEKPXWOGSWMCO-VQYZLWMVSA-N	360.413	3.449	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)c1ccc(O[C@H](C)c2ccccc2)nc1	40128910	ZIPUVYGJSDGZNO-CYBMUJFWSA-N	365.389	3.198	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)c(O)c2ncccc12)c1cccc([N+](=O)[O-])c1	59459121	LAHGNGOOFYMCOQ-AWQFTUOYSA-N	370.752	3.266	50	40	FGGB	
C[C@H](NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	59519735	JSJAAFVEHUVWFU-WXUSHSQQSA-N	351.450	3.312	50	40	FGGB	
C/C(=N\NC(=O)c1sc(-c2ccccc2)nc1C)c1csc(N)n1	54281054	SSLHFVRQXCCARO-AWQFTUOYSA-N	357.464	3.311	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1cccc2ccccc12	59133445	COZRVKJRNKAHFG-SFQUDFHCSA-N	371.396	3.250	50	40	FGGB	
O=C(N/N=C1/[C@@H]2[C@H]3[C@H]4[C@H]5C[C@@H]([C@@H]14)[C@H]2[C@@H]5[C@@H]3Br)Nc1ccccc1	104202641	FBZBNONCKRZHGH-PQYWOVFYSA-N	372.266	3.315	50	40	FGGB	
CN(C)c1ccc(/C=C/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	108084066	SEPUMZTYIPKXOU-AFZMTXDHSA-N	352.394	3.019	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(C)c2)cc1	409005661	GEGHEFVXGXFHDX-SFQUDFHCSA-N	364.401	3.483	50	40	FGGB	
Cc1cccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3)c2)c1	3193511	SLWXCDZIMWAHAU-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)C(C#N)=C(N)O1	1446322	YDSKQZNNDAGJMG-OAHLLOKOSA-N	357.366	3.020	50	40	FGGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)C(N)=S)cc2)cc1	107953614	HOAVABUSLDDZNR-XNTDXEJSSA-N	351.431	3.206	50	40	FGGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc(O)cc(O)c1	13321921	XZTJCCYNFYCIGO-LPYMAVHISA-N	362.385	3.441	50	40	FGGB	
N#CC1=C(SCC(=O)c2ccc(F)cc2)NC(=O)[C@@H](C#N)C12CCCC2	4592620	LXGIKWKFLAJJLM-CQSZACIVSA-N	369.421	3.307	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2ccccc2-n2cccc2)c2ccccc2n1	6979776	LBBCHFWZMCQBFW-UHFFFAOYSA-N	370.412	3.409	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)Cc2cccc3ccccc23)cc1	42083101	VIZVVJCEJFMBSN-UHFFFAOYSA-N	365.458	3.409	50	40	FGGB	
O=C(N/N=C/c1ccc(F)s1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1	252511330	ZYWWHRWPOUMGOR-YVJZOELXSA-N	363.433	3.389	50	40	FGGB	
COc1cc(C#N)ccc1C(=O)NNc1ccc(C#N)cc1C(F)(F)F	1634869533	FAJSFZNMORHOSM-UHFFFAOYSA-N	360.295	3.214	50	40	FGGB	
CCOC(=O)C[C@H](C(=O)OCC)P(c1ccccc1)c1ccccc1	1678894	FWNHTSKXHFRXNV-GOSISDBHSA-N	358.374	3.004	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)/C=C\c2ccccc2)cc(C)c1Cl	23397205	NBOLZLOGRXWCOF-HJWRWDBZSA-N	358.825	3.196	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2Br)o1	408587793	HIZPLJKKNPIIEY-VIZOYTHASA-N	352.144	3.023	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(C(=O)O)cc1	408777974	NHMUEBSAQJDOQN-YVLHZVERSA-N	351.406	3.224	50	40	FGGB	
Cc1c(/C=N/NC(=O)c2ccccc2)c(O)n2c(nc3ccccc32)c1C#N	3026216	BMYTUSVVIWXBEN-FSJBWODESA-N	369.384	3.137	50	40	FGGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	13774734	LMRZQHZZRHYCMY-AQTBWJFISA-N	372.428	3.339	50	40	FGGB	
CCOC(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)OC)cc1	6497441	QARVGTNURKOILN-UDWIEESQSA-N	356.378	3.132	50	40	FGGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	408885933	BSSKHLITNSOQPN-RIYZIHGNSA-N	367.361	3.466	50	40	FGGB	
OC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	34434645	ITASBCIXGRCUAD-VKHMYHEASA-N	354.003	3.005	50	40	FGGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C/c3sccc3C)CC2=O)cc1	2265041	PURZZNDYDVSQGG-BBJIBYMTSA-N	355.463	3.122	50	40	FGGB	
N#CC(C#N)=C(O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	1588806	HYKGCAPJMNDMGH-LICLKQGHSA-N	360.329	3.225	50	40	FGGB	
CN(C)CCCN(C(=O)CCl)c1nc(-c2ccc(F)cc2)cs1	4215028	UAOBVCHGGHDFGG-UHFFFAOYSA-N	355.866	3.473	50	40	FGGB	
Cc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Br)cc32)c(C)c1	6683929	VLWBPAVSLNTXDM-UHFFFAOYSA-N	372.222	3.152	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OCC	6892575	ANEBCJJXQFAMRR-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F	7782294	HZGVPHCPEIBIPM-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc2c(c1)OCCO2	725133	YHNRWYMFUPQKJZ-WSDLNYQXSA-N	368.433	3.419	50	40	FGGB	
Cc1csc(=O)n1CCC(=O)NN(Cc1ccccc1)c1ccccc1	57985059	MMOYENYOMXUVFT-UHFFFAOYSA-N	367.474	3.346	50	40	FGGB	
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)Cc1cccs1	100059279	RFAMLHRDHGBXBK-LPYMAVHISA-N	373.522	3.258	50	40	FGGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	33757470	FNPYGEAMHXJFOS-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1	40161261	DGIFNAMASYCWGH-UHFFFAOYSA-N	369.164	3.368	50	40	FGGB	
O=C(NN=Cc1cc(Br)ccc1O)c1c[nH]c2ccccc12	252623266	ONOGRNQSIFOMOP-UHFFFAOYSA-N	358.195	3.400	50	40	FGGB	
COc1ccccc1OC/C(=N/NC(=O)c1ccncc1)c1ccccc1	32689322	QXXFMXAZQPRRJZ-NKFKGCMQSA-N	361.401	3.303	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CNc2ccccc2C)c(O)c1	2743235	VXAOWMJBJCYURR-LPYMAVHISA-N	354.454	3.109	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	106586532	NJNXFWBGJRCAGX-YDRQLGOLSA-N	351.362	3.388	50	40	FGGB	
N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)NC[C@@H]1CCCO1	2801243	QOSHPXDDFBUQBB-BJRSVTDJSA-N	355.825	3.333	50	40	FGGB	
Cc1ncsc1C(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F	104636938	FNIPYJQQFWUWJA-MNOVXSKESA-N	369.368	3.035	50	40	FGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccccc1O	3238995	QHVMQQXMFICCTM-UFFVCSGVSA-N	372.787	3.443	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)c1	5218479	RFVLPOLZJQAQIN-INIZCTEOSA-N	360.373	3.009	50	40	FGGB	
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2	4694094	KCRDNSPFLKPRJW-YRXLECQKSA-N	350.418	3.246	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3cccnc3)cc2)c(C)o1	5574148	IWZJDRDJKYUVQU-SSDVNMTOSA-N	363.373	3.275	50	40	FGGB	
C[C@H](NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1	32799117	PYHSTZIQYKPMQG-QNKXHIPISA-N	365.345	3.108	50	40	FGGB	
CCOC(=O)/C(=N/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCl	100844353	OQHDOWUBFDMSST-RGVLZGJSSA-N	371.142	3.498	50	40	FGGB	
CCCCOc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1	4208003	SRQNFRWPPKSIRK-UHFFFAOYSA-N	357.479	3.175	50	40	FGGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1C	408850975	SRCRPIBBJREURM-LPKQHDGYSA-N	355.394	3.311	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3N)o2)cc1	408718728	CCROPYBBKVWCIM-UUYOSTAYSA-N	363.373	3.079	50	40	FGGB	
O=CNc1cc([C@H](O)CBr)ccc1OCc1ccccc1	40435034	HKSUZIIGCSOMPX-OAHLLOKOSA-N	350.212	3.262	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1	44068979	NCUWYSNWNTWXHM-CIAFOILYSA-N	354.406	3.205	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc3ccccc3n2)c(OC)c1OC	3088798	FTTGXWIFVPBPSJ-CIAFOILYSA-N	365.389	3.025	50	40	FGGB	
COc1cc(F)c(C(=O)[C@@H](Br)CBr)cc1F	309514788	TWOWSIBNTIYYFY-LURJTMIESA-N	357.976	3.315	50	40	FGGB	
BrCCN(CCBr)Cc1ccc2c(c1)OCO2	1724232	FGMPMGNKWVYDAH-UHFFFAOYSA-N	365.065	3.007	50	40	FGGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)CC(=O)NC(C)C)c1C	58913898	XSANQVYAIGLZPX-UUYOSTAYSA-N	368.481	3.076	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cc(O)ccc2[N+](=O)[O-])cc1	23411078	FERZPYXFPQBPOU-RGVLZGJSSA-N	371.393	3.127	50	40	FGGB	
CCN(CC)c1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1	5119597	BFVLMBXWTGTLAR-PXLXIMEGSA-N	367.449	3.458	50	40	FGGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(O)cc1O	4860319	FCMYJFQVOYFYDV-KGENOOAVSA-N	356.422	3.449	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)CSCCc2ccccc2)c1	408725828	IHTXXLQXZSJBBN-DEDYPNTBSA-N	358.463	3.130	50	40	FGGB	
COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1	408568990	XWTNJCDBTXEDID-JYRVWZFOSA-N	351.337	3.318	50	40	FGGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1	408776034	MNEPDODWEWSTMO-WQRHYEAKSA-N	364.449	3.484	50	40	FGGB	
COc1cc(Cl)c([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409149111	XPISRLZYYLWFSH-KRWDZBQOSA-N	373.840	3.087	50	40	FGGB	
O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C/c1ccccc1Cl	1437734	VGQXCLIIBTZQHN-VXLYETTFSA-N	350.205	3.472	50	40	FGGB	
O=C(N/N=C/c1cccs1)c1ccc(I)cc1	10118508	YQCOTMSRRMNORM-RIYZIHGNSA-N	356.188	3.117	50	40	FGGB	
Cc1cccc(NC(=S)NNC(=O)c2ccc(OC(F)F)cc2)c1	655748	MZPMLOVJMZXPMW-UHFFFAOYSA-N	351.378	3.228	50	40	FGGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1ccccc1O	108238462	KVAJWNZXNCESPB-STZFKDTASA-N	353.422	3.155	50	40	FGGB	
O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	103916669	MLBUWUZXQQPDTE-RBOXIYTFSA-N	373.453	3.075	50	40	FGGB	
C[C@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cccs1	994092	DLJNDADVPYLIAT-JSJZUPIVSA-N	352.257	3.461	50	40	FGGB	
O=C(N/N=C/c1ccc(F)cc1)c1cccc(I)c1	59447360	DGPROZSVFREZKR-RQZCQDPDSA-N	368.149	3.194	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccccc1Br	20241211	GQGNYKYANLICEX-VXLYETTFSA-N	359.227	3.220	50	40	FGGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	2502644	CTHYWTBHODRCFT-HXUWFJFHSA-N	362.385	3.021	50	40	FGGB	
O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1cccc(Cl)c1	408753386	OYPAQVMLLZIKGO-UWVJOHFNSA-N	354.168	3.221	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1F	408814461	HBPNJYSBTSSIHI-PTNGSMBKSA-N	368.364	3.313	50	40	FGGB	
O=C(CCl)N1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1	79412124	WIRCIMMIIPZQRU-UHFFFAOYSA-N	350.846	3.017	50	40	FGGB	
C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1ccccc1O	687094	JPCVXYAPWTZNLO-VDCVXVNISA-N	362.227	3.105	50	40	FGGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1	59515534	JSWNZDQFIJXCCJ-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)[nH]n2)cc1	4136064	ZUXWFMBOYOKSPA-HYARGMPZSA-N	363.421	3.415	50	40	FGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)C(C#N)=C(N)O3)cc1	6024616	CAEXVOLBIASUKL-KRWDZBQOSA-N	374.400	3.399	50	40	FGGB	
COc1cc(/C=N/NC(N)=O)ccc1OCCCOc1c(C)cccc1C	4551455	YERYOJATJBJTSG-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
CC(C)(C)c1[nH]nc2c1[C@@H](c1ccc3c(c1Cl)OCO3)C(C#N)=C(N)O2	4786155	BGKWMPWHWCKMJN-NSHDSACASA-N	372.812	3.307	50	40	FGGB	
CC[C@H]1C[C@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CC(=O)N1	97373149	AUXJHFSFUBAGHK-ROUUACIJSA-N	351.450	3.029	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2ccco2)c(C)n1[C@H](C)c1ccccc1	24560623	LRPOEBBNNBXKEY-CQSZACIVSA-N	351.406	3.382	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1cccc(C(F)(F)F)c1	6584499	YWSAHKAMROGAEZ-UFFVCSGVSA-N	352.312	3.243	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cccc(OC)c2)cc1[N+](=O)[O-]	409146751	UFZXTAAOZPVBBM-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
CC(C)(C)[C@@]1(OCBr)C(=O)C=NC=NN1Cc1ccccc1	28294510	XNLCYBPMKRUNBG-INIZCTEOSA-N	366.259	3.197	50	40	FGGB	
CC(C)N(C(=O)CCl)C1CCN(C(=O)OCc2ccccc2)CC1	79392718	WLKNRQPVBWBMEB-UHFFFAOYSA-N	352.862	3.263	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCCc1ccc(C)cc1	40140386	IUFACDBMZHDFKH-UHFFFAOYSA-N	360.841	3.441	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCC#N	48345231	ZLHLPQRNEZQWAR-NVNXTCNLSA-N	362.341	3.116	50	40	FGGB	
O=C(CBr)C1=C(c2ccccc2)C(=O)c2ccccc2C1=O	779662	ZIHUJXAKUSXIEV-UHFFFAOYSA-N	355.187	3.483	50	40	FGGB	
C=C(C)c1cccc(C(C)(C)NC(=O)NNC(=O)c2ccccc2O)c1	2668872	RIPXRXXFLPXQSI-UHFFFAOYSA-N	353.422	3.305	50	40	FGGB	
O=C(N/N=C/c1cccc(O)c1)c1ccc(N/N=C/c2cccc(O)c2)cc1	4863689	PUYBSBWZMLCQSB-MSKUYSOUSA-N	374.400	3.308	50	40	FGGB	
CC(C)COc1ccc(CC(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1	33352300	LKVNRJZQKYFOBY-NDENLUEZSA-N	355.394	3.322	50	40	FGGB	
O=C(N/N=C/c1ccco1)c1cc(I)ccc1Cl	725984	MJGFOKWAVQKVCJ-VIZOYTHASA-N	374.565	3.302	50	40	FGGB	
COc1cc(OC)cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1	809392	MTQFHYVAAJXORA-QGZVFWFLSA-N	354.406	3.155	50	40	FGGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@@H](c1ccco1)C(C#N)=C(N)O2	1472252	IKTPBLSSPFKYPB-LJQANCHMSA-N	373.412	3.211	50	40	FGGB	
CN(NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1	7785225	HMVVMECWCWGLFH-OAQYLSRUSA-N	373.456	3.195	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(OC)c(C)c2)c(OC)c1	408871380	YWHFOYOUNGRCAQ-LICLKQGHSA-N	366.417	3.244	50	40	FGGB	
O=C(NN=C1CCCCCC1)C(=O)Nc1ccc(Br)cc1	5569796	PYCWGXSMSXXTML-UHFFFAOYSA-N	352.232	3.214	50	40	FGGB	
O=C(N[C@H]1CC[C@H](N(C(=O)CCl)C2CC2)CC1)OCc1ccccc1	100178120	XHSFZMPVIJXPHT-IYBDPMFKSA-N	364.873	3.454	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)ccc1OC	409360716	FPEKUEJWJCAJLF-SRZZPIQSSA-N	361.829	3.310	50	40	FGGB	
CCOC(=O)[C@H](/C(C)=N/NC(=O)c1cc2ccccc2cc1O)C(C)C	4616955	VLRNQDIVPJWWFC-LANLRWRYSA-N	356.422	3.486	50	40	FGGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc(C(=O)O)cc1	4724403	ABWSWGKXOIZLAN-CIAFOILYSA-N	354.406	3.211	50	40	FGGB	
O=C(CCl)N1CCC[C@@H](N(C(=O)OCc2ccccc2)C2CC2)C1	79412112	QGKOXLMFMBWRCL-MRXNPFEDSA-N	350.846	3.017	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N(C)C)cc2)c(OCC)c1	1434870	QMIFIGCGGFVTOH-KGENOOAVSA-N	355.438	3.314	50	40	FGGB	
O=C(NNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1ccc(F)cc1	17359663	BSLUKISFVMHJJF-UHFFFAOYSA-N	359.338	3.023	50	40	FGGB	
O=C(N/N=C/c1cc2cc3c(cc2nc1Cl)OCO3)c1ccccc1O	2423181	JWEXINKPTHQPKF-DNTJNYDQSA-N	369.764	3.086	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)c1	4550235	QIEVVLBEIREZJW-UHFFFAOYSA-N	373.840	3.137	50	40	FGGB	
O=C(CN1CCCCC1)N/N=C/[C@H]1[C@@H](c2ccccc2)C1(Cl)Cl	4520491	KKQDKBORWGZQOI-RGRJMJLGSA-N	354.281	3.162	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1[N+](=O)[O-]	408719107	DQCWYFGJFQKOLC-OTGIAGGSSA-N	373.434	3.375	50	40	FGGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408784356	QOYRXBHMJDOENP-NGUOXWILSA-N	363.808	3.253	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2cc(O)ccc2[N+](=O)[O-])cc1	36233008	MVKQUHIOYUTYIX-GHOUAXAESA-N	371.393	3.343	50	40	FGGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	885594	SXNPELFKVBPULP-AQTBWJFISA-N	358.445	3.500	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2c(C)nc3sccn23)cc1OC	59435405	IKXIFSKTDPGRPE-YBFXNURJSA-N	370.434	3.042	50	40	FGGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	409379175	VIDJXJPIHLUZIF-WSDLNYQXSA-N	363.373	3.207	50	40	FGGB	
Cc1ccccc1NCC(=O)N/N=C/c1cc(Br)cs1	4663506	VCANGWSVUDDRPW-REZTVBANSA-N	352.257	3.381	50	40	FGGB	
COc1cc(SC)ccc1C(=O)NNC(=S)Nc1ccccc1C	7987052	JPBXACAWRYTTRI-UHFFFAOYSA-N	361.492	3.357	50	40	FGGB	
O=C(COc1cccc2cccnc12)N/N=C\c1ccc(N2CCCC2)cc1	408855504	FWDKFZYDMDRYAG-IWIPYMOSSA-N	374.444	3.364	50	40	FGGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2ccccc2O)o1	15229940	YBUFAMOIYVXRID-NHDPSOOVSA-N	364.357	3.423	50	40	FGGB	
Cc1ccc(-c2nnc3n2C[C@@H](CI)S3)cc1	783489	RJXJTWDAUHWNOC-SNVBAGLBSA-N	357.220	3.163	50	40	FGGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1	6645986	PKDBYGYYVRSXRM-JZOCJUILSA-N	364.232	3.321	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCC(=O)O	408744801	NBAOHEMJDOTXPZ-DHDCSXOGSA-N	366.373	3.013	50	40	FGGB	
CCc1cc(C)cc(OCCOc2ccc(/C=C(\C#N)C(N)=O)cc2)c1	13897190	TZAVJARXLJHKIV-LDADJPATSA-N	350.418	3.408	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(C(=O)O)cc1	408543381	QREUTIBIFYHAIH-AUWJEWJLSA-N	354.318	3.374	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1ccccc1[N+](=O)[O-]	408998833	SISRGALHLDMYTN-NDENLUEZSA-N	363.377	3.161	50	40	FGGB	
N#CC1=C(N)Oc2cc(O)cc(O)c2[C@@H]1c1cccc(Br)c1	5568518	OWMVHDPTATUVCX-CQSZACIVSA-N	359.179	3.078	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccccc2C(F)(F)F)cc1	14626896	GKDSZMCVGNPGHO-UHFFFAOYSA-N	352.312	3.179	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)C1CCCCC1	20662088	PJKVGPKSYYAMID-UHFFFAOYSA-N	370.844	3.492	50	40	FGGB	
CCOC(=O)C1=C(C#N)C2(CCC(OCc3ccccc3)CC2)C(=O)O1	1571679	JVKCYZKQVNNBMY-UHFFFAOYSA-N	355.390	3.030	50	40	FGGB	
O=C1c2sc3nc4n(c(=O)c3c2CC[C@H]1Br)CCCCC4	850545	IVCYKDGSQAGJHW-SECBINFHSA-N	367.268	3.077	50	40	FGGB	
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2cnco2)cc1	47816492	XQVDEUBSIIJLKO-UHFFFAOYSA-N	365.433	3.319	50	40	FGGB	
CCC[C@@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(Cl)cc1C	4523878	YBAMDVYJZXQXIY-CTFRJJSNSA-N	368.861	3.499	50	40	FGGB	
CC1=C[C@@H](Br)[C@@H]2C[C@@]1(C)CN2S(=O)(=O)c1ccccc1	43761566	IGIUNICLDOIAAT-ILXRZTDVSA-N	356.285	3.179	50	40	FGGB	
O=C(N/N=C/c1cccnc1)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532841	YNXXUAWDFJILHC-WBUOQYNOSA-N	359.385	3.113	50	40	FGGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)[C@H]12	16607933	LFEYLUPXCSUZMC-IRFCIJBXSA-N	374.400	3.061	50	40	FGGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@H]1CCCO1	2674137	PXRDWUWDYHFBAL-UBXANZILSA-N	362.429	3.468	50	40	FGGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	1103509	XDLHLSLLYSCGSF-CIAFOILYSA-N	364.361	3.417	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1OC	409324516	UPSHIRDUFOFEOF-BKUYFWCQSA-N	372.421	3.265	50	40	FGGB	
O=C(N/N=C/c1cccc2ccccc12)[C@@H]1CC(=O)N(c2ccccc2)C1	408718013	BPSVOLDZDJCEKR-UEIZDATPSA-N	357.413	3.343	50	40	FGGB	
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	6787733	HLPBWNLXFVSKDS-SNVBAGLBSA-N	370.302	3.073	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cccnc2)o1	32132689	FZGOIABNKRLZBC-JAIQZWGSSA-N	366.333	3.022	50	40	FGGB	
O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1ccncc1	1434367	ZCGZTHFMHFPQJC-UFWORHAWSA-N	367.634	3.060	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccc(C(F)(F)F)c1	107743256	IKOSYDXZMYVKEC-JMIUGGIZSA-N	351.284	3.306	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CSCc2ccc(OC)cc2)cc1	59473731	HRHICWHDRBCOIU-UDWIEESQSA-N	358.463	3.477	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)C4CCCCC4)ncnc32)cc1	54302604	XHGQKRIGZYFRHJ-UHFFFAOYSA-N	350.426	3.147	50	40	FGGB	
N#CCOc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1	3765141	RBWRPAVBNFUKTE-FSJBWODESA-N	361.323	3.301	50	40	FGGB	
CCCCOc1ccc(/C=N/NC(=O)Cc2nc3ccccc3n2C)cc1	6379845	RJQPZCSLFUBVFA-PXLXIMEGSA-N	364.449	3.445	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc([N+](=O)[O-])c1O	409053655	NWMORGDVBKGMHB-QGMBQPNBSA-N	363.757	3.035	50	40	FGGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1ccccc1F	32624785	BRBYQGPFXYCZBB-UHFFFAOYSA-N	355.325	3.024	50	40	FGGB	
NNC(=O)c1ccc(OCc2ccc(Cl)cc2)c(Br)c1	216779869	VDGHFZMTMWXPJH-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)O[C@@](F)(C(=O)F)C(F)(F)F	100045320	MNEZTIJYMZUPMM-BYPYZUCNSA-N	360.050	3.087	50	40	FGGB	
CCCOc1ccc(CCC(=O)NNC(=S)NCc2ccccc2)cc1	1832930	RSBUCQGOMYGXHP-UHFFFAOYSA-N	371.506	3.104	50	40	FGGB	
COc1ccccc1OCCOc1ccc(Cl)cc1/C=N/NC(C)=O	4499476	PRLDRCMTWWJSSP-UDWIEESQSA-N	362.813	3.276	50	40	FGGB	
Cc1noc(C)c1COc1ccc(C(=O)NNC(=O)c2cccs2)cc1	6560392	FWQBYBQXLNOPLJ-UHFFFAOYSA-N	371.418	3.007	50	40	FGGB	
CC/C(=N\NC(=O)[C@@H](OC)c1ccccc1)c1ccc(OC)c(OC)c1	408719729	KWSPBYMIVXMAES-XSLGSPGOSA-N	356.422	3.322	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1	110495087	LTCRSCOHWDITKS-MIFGDBIWSA-N	370.449	3.086	50	40	FGGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(Br)cc1	83325801	AMVJDENPZCUFBL-PUMYGXPMSA-N	361.239	3.413	50	40	FGGB	
O=C(N/N=C/c1ccc(I)o1)c1ccccc1Cl	3141294	HYYMBICXSKPGAW-VIZOYTHASA-N	374.565	3.302	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1[N+](=O)[O-]	7384846	NKPXLEJKQHMSEX-DEDYPNTBSA-N	352.394	3.267	50	40	FGGB	
O=C(Cc1ccccc1)NNC(=O)c1ccccc1-c1nc2ccccc2[nH]1	939061	GEANIDWGEYNWDU-UHFFFAOYSA-N	370.412	3.234	50	40	FGGB	
N#C/C(C(=O)COC(=O)c1ccc(C#N)cc1)=C1\Nc2ccccc2S1	103422271	LUNGRLVRSCYZEN-JXAWBTAJSA-N	361.382	3.237	50	40	FGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C2/C(=O)N(C)c3ccccc32)c1	409340213	SGNWICODOPBMDB-ZBJSNUHESA-N	367.474	3.034	50	40	FGGB	
CCOC(=O)CS[C@@H](NC(=O)c1ccc(C)cc1)C(Cl)Cl	101411125	GBQPTTNCBGCHRH-CQSZACIVSA-N	350.267	3.151	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2ccc(I)cc2)cc1	10118465	VDWWWTSBTFFPJU-LICLKQGHSA-N	364.186	3.364	50	40	FGGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	409261013	ZVLXWDVSPVXACC-UDWIEESQSA-N	355.394	3.291	50	40	FGGB	
CCCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(O)c2)[nH]n1	4953955	SCGSLXLOVPQRJQ-FYJGNVAPSA-N	364.405	3.335	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(Br)s2)c(F)c1	408965867	JKTKHMANIPDJGG-REZTVBANSA-N	352.188	3.285	50	40	FGGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)OCCO1	409049412	QSQQXCVDRKSLQT-KGENOOAVSA-N	356.422	3.232	50	40	FGGB	
COc1ccc2ccccc2c1/C=N\NC(=O)c1cc([N+](=O)[O-])ccc1O	408918207	HPURUWJGUOZLPF-JAIQZWGSSA-N	365.345	3.226	50	40	FGGB	
NNC(=O)c1ccc(OCc2cccc(Br)c2)c(Cl)c1	226326824	XYNOVYZBGLCLAO-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(N2CCCCC2)o1	83326032	YVQAQYHBERNCSM-CQHJRZBDSA-N	355.438	3.234	50	40	FGGB	
Cc1cccc(C(=O)N/N=C\c2cc3c(cc2Br)OCO3)c1	35227327	YOBWTMYPRQOIIM-LSCVHKIXSA-N	361.195	3.250	50	40	FGGB	
CN(C[C@@H]1COc2ccccc2O1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	78288133	CFKLRTUBCMVISG-BRMCRPDNSA-N	351.362	3.231	50	40	FGGB	
C/C(=N\NC(=O)c1ccccn1)c1ccc(NC(=O)c2ccccc2)cc1	18191587	DIGXFRWNDMUADK-BUVRLJJBSA-N	358.401	3.488	50	40	FGGB	
COc1ccc(CCCC(=O)NN=Cc2ccc(OC)c([N+](=O)[O-])c2)cc1	9057027	STMPGMRYRCYIFF-UHFFFAOYSA-N	371.393	3.085	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)COc2ccc(C)cc2C)cc1OC	30843612	UKDSPNMOZSMFEM-MTJSOVHGSA-N	356.422	3.240	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)C)c2C)cc1Cl	408971164	NFKWUKDZFHGCHU-UFFVCSGVSA-N	374.872	3.031	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCCCCC2)cc1)C(=O)NC[C@H]1CCCO1	98053640	QSIMHNJZDZQRPT-BKHFDQEPSA-N	353.466	3.269	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)c1OC	5401483	PQKOVORJJIMTTL-AWQFTUOYSA-N	372.812	3.077	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1Cc1ccc(Br)cc1	226365780	AQQWQQRSLJCTES-UHFFFAOYSA-N	358.239	3.364	50	40	FGGB	
CC(C)Oc1ccc(C(=O)N/N=C2/C(=O)Nc3ccc(Cl)cc32)cc1	2756302	LTCJBXWJDSAODB-UHFFFAOYSA-N	357.797	3.213	50	40	FGGB	
COc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1022148	YTVMCJZKPMHGQU-HNAYVOBHSA-N	360.417	3.297	50	40	FGGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cnccn1	3183272	OYAYTEYUNCBYKY-WYMPLXKRSA-N	355.401	3.244	50	40	FGGB	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccc2c(c1)OCO2	12762453	JHMVFMFILUCKDR-UHFFFAOYSA-N	355.272	3.463	50	40	FGGB	
Cc1cc(SCC(=O)NNC(=O)c2cccs2)nc2ccccc12	5226382	TZBDTUYVSZHSTL-UHFFFAOYSA-N	357.460	3.158	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)Cc2cccc(C(F)(F)F)c2)c(C)c1	8142587	IXLBYNLGMVTCKW-UHFFFAOYSA-N	350.340	3.326	50	40	FGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cc(-c3ccco3)on2)cc1	32879881	BSNMERBJAFNGHR-UHFFFAOYSA-N	353.378	3.307	50	40	FGGB	
CC1=C[C@@H](Br)[C@H]2C[C@]1(C)CN2S(=O)(=O)c1ccccc1	43761565	IGIUNICLDOIAAT-RBSFLKMASA-N	356.285	3.179	50	40	FGGB	
O=S(=O)(c1ccccc1)[C@H]1CCCC[C@@H]1I	1679970	WEYYJMSZTHFYRV-RYUDHWBXSA-N	350.221	3.207	50	40	FGGB	
O=C(CNC(=O)C(c1ccccc1)c1ccccc1)N/N=C/c1ccccc1	3193597	LULUXEKSHWUVCX-PCLIKHOPSA-N	371.440	3.085	50	40	FGGB	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NNc1c(F)c(F)cc(F)c1F	2643329	MNIBCAJVBLUBPW-SNAWJCMRSA-N	355.247	3.308	50	40	FGGB	
CC/C(Cc1ccccc1)=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	4697707	HUWTWECFQWYGBZ-NBVRZTHBSA-N	356.338	3.242	50	40	FGGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2F)cc1	59104820	DQYUOKHIDLTKIL-HYARGMPZSA-N	350.397	3.446	50	40	FGGB	
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2	4694093	KCRDNSPFLKPRJW-ISXGRJCASA-N	350.418	3.246	50	40	FGGB	
O=C(NNC(=S)Nc1ccc(F)cc1)c1ccccc1OC(F)F	8671246	QOICAJGOTUWNFD-UHFFFAOYSA-N	355.341	3.059	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)CSCc2ccccc2C)c1	408778521	GTINCBCYKRROQP-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1	209604160	SOLIOCAAQWDQAV-JAIQZWGSSA-N	360.797	3.046	50	40	FGGB	
O=C(N/N=C/c1ccncc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	1051847	RRAYTAUAZWLTSP-HZHRSRAPSA-N	368.400	3.093	50	40	FGGB	
COC(=O)c1ccc(Cl)cc1N/C=C(/C#N)C(=O)NCc1ccccc1	101427714	SZAKCDYUFREHCW-OWBHPGMISA-N	369.808	3.262	50	40	FGGB	
Cc1nc(CC(=O)NNC(=S)Nc2cccc(C(F)(F)F)c2)cs1	2643135	FLVMJVZGSUDDKI-UHFFFAOYSA-N	374.413	3.031	50	40	FGGB	
CC(C)COc1ccc(S(=O)(=O)N(CCCl)CCCl)cc1	829026	FACJXYHNHSFTPY-UHFFFAOYSA-N	354.299	3.190	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	408962823	JTHMYDKAGHPSJD-UDWIEESQSA-N	363.329	3.117	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	9190483	UBAZVALQSNTAPH-HSWQHBDASA-N	371.393	3.343	50	40	FGGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)cc1	408854831	JUSWAYRCGDQWGQ-OCKHKDLRSA-N	361.785	3.267	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSc2ccc(C)cc2)cc(OC)c1OC	40961807	XNZBKDFPDOQUDX-RGVLZGJSSA-N	374.462	3.263	50	40	FGGB	
C[C@H](Br)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)F	103711458	NXKQDJBNKWTMRY-VKHMYHEASA-N	366.046	3.057	50	40	FGGB	
N#C[C@@H]1[C@H](Br)[C@@H](O)c2ccccc2N1C(=O)c1ccccc1	17299275	PKNLRSBYSSNFHC-PMPSAXMXSA-N	357.207	3.036	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)[C@H](C)Nc2nc3ccccc3s2)cc1F	8984417	RUFOUJPACRBVGA-NSHDSACASA-N	372.425	3.005	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2C(=O)O)cc1	408924763	OHJGSDVNHACODB-RVDMUPIBSA-N	364.357	3.107	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccn1	408722296	GQYQBPLOQIYRGN-UFFVCSGVSA-N	369.764	3.457	50	40	FGGB	
O=C(COc1ccc(/C=N\NC(=O)c2ccco2)cc1)Nc1ccccc1	83327099	SPIBJGUDGLTPSG-BKUYFWCQSA-N	363.373	3.061	50	40	FGGB	
O=C(N/N=C/c1ccccn1)C1CCN(Cc2ccc(Cl)cc2)CC1	5649123	ASXALGWQZKRJGV-LPYMAVHISA-N	356.857	3.097	50	40	FGGB	
CCOC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)c1	2271109	VVHWHAHJMFRXLI-LFIBNONCSA-N	350.374	3.418	50	40	FGGB	
Cc1cc2c(c(=O)n1C1CC1)[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	2214059	WYAJXJWAOGAOKA-MRXNPFEDSA-N	353.809	3.363	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)cc1C	409266423	YQFCKTRFPJEZKT-CNPYVQQSSA-N	369.852	3.460	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1	409006862	RIFXUGMCRWDACN-HZHRSRAPSA-N	363.461	3.306	50	40	FGGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1O	5769926	OLGMAMVRUJHIOH-CAOOACKPSA-N	365.798	3.196	50	40	FGGB	
COC(=O)NNC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1	6606405	NZMCDTSXEBFXBG-UHFFFAOYSA-N	364.814	3.050	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CNc2ccccc2)cc1Br	7009266	GQWYVFYVBQNSPE-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)N2CCCCC2)c1C	826331	OJKBCSXYVBXBJI-UHFFFAOYSA-N	372.874	3.037	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C/c2cc(OC)ccc2OC)cc1	59473171	OTJDECGIHDKYRI-RGVLZGJSSA-N	374.462	3.096	50	40	FGGB	
CCOC(=O)CS[C@H](NC(=O)c1ccc(Cl)cc1)C(Cl)Cl	101411116	UZIWDTJWIIKKBC-ZDUSSCGKSA-N	370.685	3.496	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@H](c1ccccc1)C(C#N)=C(N)O2	2236074	GDKBKVVZUVDGMW-GOSISDBHSA-N	359.385	3.016	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(N3CCCCCC3)o2)c(F)c1	408968732	YHZMFBBWIQPNDH-LPYMAVHISA-N	354.385	3.435	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1[N+](=O)[O-]	408964532	TUFFIFCCOXTFMR-VXLYETTFSA-N	369.333	3.122	50	40	FGGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	409001506	WIQVVUFGGLHEFI-HCZVKUGISA-N	372.450	3.292	50	40	FGGB	
N#C/C(=C/c1ccc(SCCO)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1	32124990	PHVWQWZDAXCIHC-UVTDQMKNSA-N	369.402	3.225	50	40	FGGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C/c1ccc(C(=O)O)cc1	1053243	GUUQAJSFCUKBPD-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
COc1cc(C(=O)CCN(CCCl)CCCl)cc(OC)c1OC	1672125	MIIGFOQMTYLPSM-UHFFFAOYSA-N	364.269	3.065	50	40	FGGB	
O=C(Cc1csc(-c2ccc(F)cc2)n1)NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	103916664	MLBUWUZXQQPDTE-DETPVDSQSA-N	373.453	3.075	50	40	FGGB	
Cc1ccc(SCC(=O)NNC(=O)C2(c3ccccc3)CCC2)cc1	25600604	WMXBVCIOZBGDBG-UHFFFAOYSA-N	354.475	3.356	50	40	FGGB	
O=C(CCNC(=O)NC1CCCCC1)NNc1ccccc1C(F)(F)F	12870813	JQQPQEADDBQQIF-UHFFFAOYSA-N	372.391	3.171	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OC(=O)c1ccco1	3573068	JIOMIWMNEVEBDF-FYJGNVAPSA-N	364.357	3.271	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(I)o1	408721192	MACPNCVFFIAHMQ-YRHSEYJUSA-N	372.206	3.161	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1OC(C)=O	408752309	DDWOLAOUIVVFTO-WOJGMQOQSA-N	364.401	3.234	50	40	FGGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(O)cc2O)nc2ccccc12	871012	GINBRAZUELQADJ-KEBDBYFISA-N	367.430	3.197	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1O	12472296	FVZRQWRPNIERAE-LWLPBDFMSA-N	352.390	3.194	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1-n1cccc1	3238807	OBMVOADREKBKJJ-HAVVHWLPSA-N	374.444	3.078	50	40	FGGB	
O=C(NNc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1	45970222	NAKAXGVBFSKYRB-UHFFFAOYSA-N	358.373	3.481	50	40	FGGB	
O=C(Cn1cnc2ccccc21)N/N=C1\CCSc2ccc(F)cc21	13282057	KBQUFBVQBSQMES-KGENOOAVSA-N	354.410	3.192	50	40	FGGB	
COc1ccc2cc(/C=N/NC(=O)COc3ccccc3)c(Cl)nc2c1	408729450	ZXPALMKQVMHGHP-SRZZPIQSSA-N	369.808	3.426	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408933881	AUPADTOVDBFENA-OOXYOOLHSA-N	368.481	3.076	50	40	FGGB	
O=C(NNC(=S)NCc1ccccc1)c1ccccc1C(F)(F)F	25434228	JCOTVCBCOAWAHV-UHFFFAOYSA-N	353.369	3.015	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1C(=O)O	408782860	KCTNXQQRDRQNAD-UVTDQMKNSA-N	365.389	3.005	50	40	FGGB	
CC(C)[C@H](CC(=O)NNc1nc(-c2ccncc2)no1)c1ccccc1	103193744	VOPYZDDKDRIFBK-INIZCTEOSA-N	351.410	3.405	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(OC)c1	1052779	QBSQIUDLAAXWTN-YDZHTSKRSA-N	368.412	3.316	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(Br)s2)c1	704980	OXNNNQZLEPZNSR-LZYBPNLTSA-N	353.241	3.348	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(OC(F)F)cc2)C=C1C1CC1	3178227	YNVKBRRRPMXMLH-INIZCTEOSA-N	352.344	3.492	50	40	FGGB	
O=C1OC(=O)[C@@H]2[C@@H]1C1c3ccccc3C2(Br)c2ccccc21	104252861	FBWNJSWBLCJXRF-DIODGJHASA-N	355.187	3.100	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)c(C)o1	12689164	HSOJLGJOOKHJOM-UHFFFAOYSA-N	355.419	3.403	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)N(C)C)o2)cc1Cl	408857859	XAJDWNFPMFWDBB-WQLSENKSSA-N	358.781	3.382	50	40	FGGB	
CCN(CC)c1ccc(C(=O)N/N=c2/c(=O)c3cccc4cccc2c43)cc1	3354069	IXWYUNVZUNPHPN-DARPEHSRSA-N	371.440	3.321	50	40	FGGB	
COc1ccc(CNC(=O)[C@@H](Br)CCCCl)cc1OC	2317318	NZZYVHREXMZJDL-NSHDSACASA-N	364.667	3.103	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)ccc1O	408952421	NTIVIDKYWINZDK-YBEGLDIGSA-N	361.401	3.148	50	40	FGGB	
CO[C@@H](C(=O)N/N=C/c1cc(C)n(C[C@@H]2CCCO2)c1C)c1ccccc1	409197610	KDKMGRPQVADJDO-OTJXSCFISA-N	369.465	3.122	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC	13988971	VGLYLBDJBOJFAW-NGWPFTMJSA-N	366.417	3.497	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1C	32929297	UNOQIMLRCJFWNO-HMAPJEAMSA-N	370.449	3.494	50	40	FGGB	
C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1	844739	VGKIEBXMOKNAPA-JAIQZWGSSA-N	369.406	3.104	50	40	FGGB	
O=P(c1ccccc1)(c1ccccc1)c1ccccc1OCCCO	104224864	YZSRMNKXCFIGFT-UHFFFAOYSA-N	352.370	3.087	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2ccccc2Br)cccc1[N+](=O)[O-]	59447262	DAZCKBZUJHMESG-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
O=C(NNC(=O)c1cc2c(s1)CCCC2)c1ccc2ccccc2n1	7653412	UKJKISMGMMKFTK-UHFFFAOYSA-N	351.431	3.250	50	40	FGGB	
O=C(CSCc1ccccc1)NNC1=C(C(=O)C(F)(F)F)CCC1	409347233	NEHRRSNOFFJQDW-UHFFFAOYSA-N	358.385	3.110	50	40	FGGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)c1	28216682	IDWDEMUEGGSWOC-LPYMAVHISA-N	369.465	3.314	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2)cc1OCC	409183719	FSJFBDIAMYVOFE-KGENOOAVSA-N	354.406	3.179	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	408790598	XEPJIZHHONFDHT-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
C=CC(=O)Nc1ccc(C(=O)NNC(=S)Nc2cccc(Cl)c2)cc1	1618677297	LSUDREVBTFSMBD-UHFFFAOYSA-N	374.853	3.096	50	40	FGGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	3168303	HEWOCNHJCWZYOO-UDWIEESQSA-N	359.813	3.218	50	40	FGGB	
CCCc1n[nH]c2c1[C@@H](c1c[nH]nc1-c1ccc(F)cc1)C(C#N)=C(N)O2	18140266	LLRWUEJUOTYJAB-OAHLLOKOSA-N	364.384	3.110	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1cccc(Cl)c1	2646007	PEANZSNTHUELLI-UHFFFAOYSA-N	356.731	3.363	50	40	FGGB	
O=C(NNc1c(F)c(F)cc(F)c1F)c1cc2ccccc2oc1=O	2621038	CTZLNCYTURINNK-UHFFFAOYSA-N	352.243	3.106	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1C	880839	NQWRDXYTDKHVCR-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
O=C(CSCc1cccc(Cl)c1)N/N=C1\C(=O)Nc2ccccc21	59473134	BXNMMSVHIVBDMR-UHFFFAOYSA-N	359.838	3.046	50	40	FGGB	
C[C@H]1CCc2sc(C(=O)N/N=C/c3ccc(N(C)CCO)cc3)cc2C1	4954308	XEQNROOJCONBGQ-HADWXUJASA-N	371.506	3.065	50	40	FGGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(OCC(=O)O)c(Cl)c2)c1	408848459	ZEQWFTBOUQNTSZ-OCKHKDLRSA-N	361.785	3.267	50	40	FGGB	
COc1cc(/C=N\NC(=O)Nc2ccccc2C)ccc1O[C@H](C)C(=O)O	409021212	ZCUMNWRHUGPXSA-RBFBNPFJSA-N	371.393	3.011	50	40	FGGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c(C)c1	408859448	UKFFWIYAIVZKIO-GNKPEBMXSA-N	355.394	3.311	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1cccc([N+](=O)[O-])c1	409070004	KGUVLIKYCRWLFJ-UDWIEESQSA-N	356.357	3.098	50	40	FGGB	
Cc1cccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c1	409006970	LVBUUEKDVDESJF-DEDYPNTBSA-N	352.394	3.267	50	40	FGGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)n1C(C)(C)C	33771657	HYBCBSKPFXYELK-NDENLUEZSA-N	356.426	3.461	50	40	FGGB	
N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1ccc(F)c(Cl)c1	40161143	WKLALFLTTRJPFI-GHXNOFRVSA-N	374.755	3.488	50	40	FGGB	
COc1c(I)cc(CBr)cc1[N+](=O)[O-]	169801414	VFTAXCHYGGAGIP-UHFFFAOYSA-N	371.956	3.103	50	40	FGGB	
BrCc1ccccc1-n1cc(I)cn1	218033188	KUMXAWIILNKQSY-UHFFFAOYSA-N	362.996	3.372	50	40	FGGB	
CCOc1cccc2sc(NNC(=O)c3ccc(OC)cc3OC)nc12	4121333	HCFHBWLLFMYLDG-UHFFFAOYSA-N	373.434	3.469	50	40	FGGB	
COc1ccc(Cl)c2sc(NNC(=O)COc3ccccc3)nc12	5256712	PTWSDLHURINMFW-UHFFFAOYSA-N	363.826	3.480	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC	6586155	MTXJSILOMHNCBL-SCNXCLFWSA-N	358.438	3.314	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1OCC	8733056	UFKFGQIWJDKOOI-LBPRGKRZSA-N	371.275	3.094	50	40	FGGB	
CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	3112706	KSFQSYDCSRCMIR-CYBMUJFWSA-N	370.427	3.147	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)C[C@@H](C)c1ccccc1	12983316	BUIKESHBMDKVNM-CYBMUJFWSA-N	360.841	3.368	50	40	FGGB	
O=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2)cc1	6083094	ANLMRWIMGVTHNE-UHFFFAOYSA-N	364.376	3.480	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OCC)cc2)cc1OC	409322722	KPYNXTVKRUYQMH-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
Cc1ccc(CC(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1	8056176	NLSJCGAHFQTFCG-UHFFFAOYSA-N	364.401	3.171	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2c(OC)ccc3ccccc23)c(O)c1	409391588	JXUBNHVRYUQVTB-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3cccc(Cl)c3)CC2=O)cc1	409254922	JUWJVLNZGOQOHT-SYZMQFJCSA-N	355.825	3.152	50	40	FGGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc2ccccc2c1	15423148	JERRZFRGEZQQCF-OAHLLOKOSA-N	363.255	3.458	50	40	FGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cc(C)ccc2nc1Cl	870387	ROUFFNHQURXSPM-INIZCTEOSA-N	369.808	3.451	50	40	FGGB	
CCC[C@@H](C)C1(CC)C(=O)N(CCCl)C(=O)N(CCCl)C1=O	1563132	ZUSNQGQLFFFXNU-LLVKDONJSA-N	351.274	3.087	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C\c1cc(Cl)cc(Cl)c1O	57452130	PFLAFESOQUOIGV-ZBKNUEDVSA-N	368.220	3.270	50	40	FGGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc(F)cc1	100522985	UXFAXROCYHPPDN-LPYMAVHISA-N	356.401	3.026	50	40	FGGB	
O=C(NN=C1CCCC1)c1ccccc1NS(=O)(=O)c1cccs1	5119739	OGJXRFXEVJUAAZ-UHFFFAOYSA-N	363.464	3.209	50	40	FGGB	
O=C(NNC(=O)c1cccc(O)c1)c1ccc(C2SCCCS2)cc1	9313462	XLDBYYIQPGWKCU-UHFFFAOYSA-N	374.487	3.336	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(N)=O)cc1	409226794	XACLEQKQGDVGDA-RIYZIHGNSA-N	369.808	3.058	50	40	FGGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)c(C(=O)O)c2)c1C	408939296	IIRYKAMZGXANGN-QPEQYQDCSA-N	357.797	3.099	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1	652779	YOGCJDNRFRTHFV-FOWTUZBSSA-N	350.374	3.418	50	40	FGGB	
O=C(N/N=C/c1cccc(O)c1)C1CCN(Cc2ccc(Cl)cc2)CC1	1086797	YZVZTQDEYPGBMJ-LPYMAVHISA-N	371.868	3.408	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c(OC)c1OC	19774933	PQSJKBBLOLMIBO-QGZVFWFLSA-N	354.406	3.204	50	40	FGGB	
CC(C)Cn1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc21	6513070	RVZVJUVSWIROPX-BXBHGGAKSA-N	351.450	3.499	50	40	FGGB	
Cc1cc(C)n(CC(=O)N/N=C/c2ccc(N(C)c3ccccc3)cc2)n1	57963790	QVYKPKGOUKIPLU-HYARGMPZSA-N	361.449	3.418	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2cc(O)ccc2[N+](=O)[O-])cc1	36233006	MVKQUHIOYUTYIX-RBFBNPFJSA-N	371.393	3.343	50	40	FGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1OC	408825691	BMRQISMNVNWSRP-VXLYETTFSA-N	362.769	3.258	50	40	FGGB	
Cc1ccccc1OCC(=O)NNC1=CC(=O)C[C@@H](c2ccccc2)C1	408751533	UYUGSVTYRZHMCX-KRWDZBQOSA-N	350.418	3.025	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1	409001078	GNDMRQXPTJDWLV-OEAKJJBVSA-N	351.450	3.139	50	40	FGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	408745013	OSNUMYIXKIPPMJ-WJDWOHSUSA-N	350.374	3.093	50	40	FGGB	
CCn1ncc(/C=N/NC(=O)Cn2c3c(c4ccccc42)CCCC3)c1F	252484628	GBPJNSCMSUHIEC-SSDVNMTOSA-N	367.428	3.026	50	40	FGGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(CCCC2=O)N1	100983392	PJPQZONXUFIWGK-INIZCTEOSA-N	358.419	3.005	50	40	FGGB	
Cc1ccc(NC(=S)NNC(=O)c2ccc(OC(F)F)cc2)cc1	652829	JXEYFDKOMCSIGP-UHFFFAOYSA-N	351.378	3.228	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)O[C@@H](c1ccc(Br)o1)C(C#N)=C2N	3232331	NFHNSUMCFRIVGO-OAHLLOKOSA-N	363.211	3.493	50	40	FGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1ccc(F)cc1	408885132	XAZQYKOYKVMEDR-AWNIVKPZSA-N	360.772	3.459	50	40	FGGB	
C#CCOc1ccc(Cl)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	409133927	UYSCMQSKWSHPBU-QGZVFWFLSA-N	354.793	3.167	50	40	FGGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccn2)cc1	408741823	NYJZTZYUCDJPKH-ZVHZXABRSA-N	356.385	3.296	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1cc(F)cc(F)c1	17072841	SVMONZBZNRSLIL-OAHLLOKOSA-N	351.312	3.024	50	40	FGGB	
CCOc1c(Br)cc(/C=C(/C#N)C(=O)NC(C)C)cc1OC	6656297	PUJRURXTIMHVIV-SDQBBNPISA-N	367.243	3.288	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)C(=O)N2CCCCCC2)c2ccccc12	2140150	GUHPQMDIRPYLJN-PXLXIMEGSA-N	367.449	3.091	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1N1CCCC1	9458366	AVYDHZORFSKTAF-DTQAZKPQSA-N	350.422	3.251	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1	409050132	ZEVAWMXXVCOIEP-YBFXNURJSA-N	361.785	3.340	50	40	FGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	44835435	MSAAGIYNPPOGLF-UDWIEESQSA-N	365.345	3.384	50	40	FGGB	
Cc1cccc(/C=N/NC(=O)c2ccn(Cc3ccc(Cl)cc3)n2)n1	1089266	KXVMFBZYRYIVHU-RGVLZGJSSA-N	353.813	3.052	50	40	FGGB	
N#C/C(=C\[C@H]1C[C@H](Br)CC[C@@H]1O)C1CCC([N+](=O)[O-])CC1	5328136	SXOQXIKFVOWXTB-FPLJZHQUSA-N	357.248	3.196	50	40	FGGB	
C/C(=N/NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc([N+](=O)[O-])cc1	4994830	RUCUKCNTUSHZDN-MOSHPQCFSA-N	363.377	3.447	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)C(C#N)(C#N)[C@@H]1c1ccccc1	20790760	MLRCUQKSOZOVSI-WOJBJXKFSA-N	374.407	3.371	50	40	FGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2cc([N+](=O)[O-])ccc2s1	6528528	MGIFRDUDLIOMGM-RQZCQDPDSA-N	370.346	3.482	50	40	FGGB	
CCCCN1C(=O)/C(=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21	5694926	AOAYWDXZJVVTCY-HIXSDJFHSA-N	364.449	3.074	50	40	FGGB	
CCc1n[nH]c2c1[C@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2	6785463	PEQGJGNKSFLELF-GFCCVEGCSA-N	350.300	3.089	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c(C)c1	409121514	YFYIQAZNNZFHAT-WSDLNYQXSA-N	363.373	3.201	50	40	FGGB	
Cc1cccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c1	3147964	WNCHLRTUKIIUNZ-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	58822863	DNNPQTYWJVEBOZ-FOWTUZBSSA-N	371.414	3.233	50	40	FGGB	
CC1(C)C(C#N)=C(SCC(=O)c2ccc(Cl)cc2)NC(=O)[C@H]1C#N	3189262	NOSFEMFBFQFVIV-GFCCVEGCSA-N	359.838	3.287	50	40	FGGB	
CC(C)C(=O)N/N=C\c1ccc(OCC(=O)N[C@H](C)c2ccccc2)cc1	58883310	AFGJJKGEWYUPMQ-NXUSMQHESA-N	367.449	3.049	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)cc(OC)cc3[nH]2)cc1	2346370	WCDKNJXMRULZSC-CIAFOILYSA-N	367.405	3.348	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccc(C)cc3)ccc21	13878626	KLMWVZZMXRKVEB-UHFFFAOYSA-N	367.478	3.304	50	40	FGGB	
CCC1=C(C(=O)OC)[C@@H](c2ccc(Br)cc2)C(C#N)=C(N)O1	706895	ISGIOVAOAQCHGT-ZDUSSCGKSA-N	363.211	3.094	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)CC(=O)NCCc2ccccc2)cc1	59516028	SDKAKIIGOKIORU-HZHRSRAPSA-N	351.450	3.009	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N/NC(=O)c1ccc2nc[nH]c2c1	2329667	WTIWPGFWZCQSGL-FOKLQQMPSA-N	358.405	3.129	50	40	FGGB	
Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2C)c1	4355219	BZSUGAOGQIMKRC-UHFFFAOYSA-N	372.432	3.498	50	40	FGGB	
COc1cccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCC2)c1	4812776	JNOURXWBTLTAKD-UHFFFAOYSA-N	356.344	3.279	50	40	FGGB	
CCOc1cccc2cc([C@H](C)NS(=O)(=O)CBr)oc12	95455726	MYVLLRSENNSOSJ-VIFPVBQESA-N	362.245	3.164	50	40	FGGB	
CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1	4714418	WCCZXOZNRGLOBK-GOSISDBHSA-N	354.406	3.299	50	40	FGGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)NCCc1ccccc1	2758449	DWADOQJTLVJPSZ-OVCLIPMQSA-N	354.793	3.335	50	40	FGGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Br)c1OCC#N	59334839	ZFIIHPMHABVJPR-ZROIWOOFSA-N	374.238	3.075	50	40	FGGB	
CC/C(=N\NC(=O)Cn1nc(C)cc1C)c1cc(Cl)cc(Cl)c1O	21189515	AHTKDUCOABGMFJ-XMHGGMMESA-N	369.252	3.443	50	40	FGGB	
Cc1ccc(Nc2ccc(Cl)cc2/C=N/NC(=O)C(=O)NC(C)C)cc1	408708312	PCFBQYXMLPXLJF-SRZZPIQSSA-N	372.856	3.367	50	40	FGGB	
Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(F)cc2)c1	17122668	CNOTXSBIFQCYOW-UHFFFAOYSA-N	362.368	3.020	50	40	FGGB	
O=C(O)COc1ccc(/C=N\NC(=O)Nc2ccc(F)cc2)cc1Cl	408850829	RUKYMJINAPZTRU-UWVJOHFNSA-N	365.748	3.098	50	40	FGGB	
CNC(=O)/C(C#N)=C\c1cn(Cc2cccc(C(=O)OC)c2)c2ccccc12	35198481	XWLVBGQGRZHMQK-BOPFTXTBSA-N	373.412	3.129	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC[C@H](CN(C(=O)CCl)C2CC2)C1	79392770	DUXOSXWIHILBGP-INIZCTEOSA-N	364.873	3.265	50	40	FGGB	
C/C(=N/NC(=O)Cc1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1	5884281	QOBBBSFEXOTEQY-FMCGGJTJSA-N	363.339	3.270	50	40	FGGB	
O=C(NNC(=O)c1cccs1)c1cccc(OCc2ccccc2)c1	17258086	HHMRYQDUSCAVOT-UHFFFAOYSA-N	352.415	3.402	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc3cccc(C)c3nc2C)cc1	685592	BUVDOLBOFSGGNF-WSDLNYQXSA-N	361.401	3.402	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1ccc(C(C)C)cc1	59433811	IAWZRCVTUOWMHZ-CIAFOILYSA-N	353.422	3.216	50	40	FGGB	
CC(C)CN1C(=O)/C(=C(\C#N)C(=O)NC2CCCCC2)c2ccccc21	3244765	QKAULYITMLHXNX-HTXNQAPBSA-N	351.450	3.415	50	40	FGGB	
C=CCCCCCCCCC(=O)NN[C@H]1CC(=O)N(c2ccccc2)C1=O	101030517	HAOBORFCOAKYNX-SFHVURJKSA-N	371.481	3.246	50	40	FGGB	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NC[C@@H]1CCCO1	26964738	IJWNMLXPEVAKTR-WVUXNXBLSA-N	367.361	3.057	50	40	FGGB	
Cc1onc(-c2ccccc2)c1C(=O)NNC(=O)c1cc2c(s1)CCC2	14886533	KRVAHMSAWQCNRN-UHFFFAOYSA-N	367.430	3.275	50	40	FGGB	
CCOC(=O)/C(C#N)=C1\CCCC[C@@H]1/C(SC)=C(/C#N)C(=O)OCC	35193624	RZLOSFBQVKPVHU-PKVSNGMISA-N	362.451	3.264	50	40	FGGB	
CCN(C(=O)CCl)[C@H]1CC[C@H](NC(=O)OCc2ccccc2)CC1	252517422	HZFHHPHIJGUYNA-WKILWMFISA-N	352.862	3.311	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C\c3cccc(Cl)c3)CC2=O)cc1	409254925	JUWJVLNZGOQOHT-ZGFXFUDXSA-N	355.825	3.152	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1OC	13896258	SQTRXRQDIBNODA-RGVLZGJSSA-N	362.813	3.276	50	40	FGGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c1	408890306	RDZPKAMGBHFWNZ-NTEUORMPSA-N	367.361	3.466	50	40	FGGB	
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CI	32629092	UUDFSWKHNPMMAZ-DTWKUNHWSA-N	355.216	3.182	50	40	FGGB	
Cn1nc(C(=O)N/N=C/c2ccc(F)s2)c(Cl)c1C(F)(F)F	252490883	LDWHWSAPNDWTRA-HAVNEIBRSA-N	354.716	3.057	50	40	FGGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1cccc(Br)c1	3099759	MLZKYVXZYHZLIC-DJKKODMXSA-N	350.191	3.150	50	40	FGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(C(F)(F)F)cc1	710704	XEKVOYGOQYIUNH-AWEZNQCLSA-N	352.312	3.350	50	40	FGGB	
COC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@@H]1c1ccccc1F	2301008	OPPKVTVGKRAZTG-WSXQUGQNSA-N	351.381	3.069	50	40	FGGB	
O=C(CSc1nncs1)NN(Cc1ccccc1)c1ccccc1	48191040	QVUYOYQCWFMVDB-UHFFFAOYSA-N	356.476	3.368	50	40	FGGB	
N#C/C(=C\c1cccc(OC(=O)c2ccco2)c1)C(=O)NCc1ccco1	4694961	MUUSPDKYPATZJQ-XNTDXEJSSA-N	362.341	3.315	50	40	FGGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	4724390	RYFNJZFRCKVEIL-UDWIEESQSA-N	355.394	3.421	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	408745113	PMKFCGLCTVTBNP-ATVHPVEESA-N	364.401	3.483	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(F)c1	408966215	KNFJSBAUIHNYGA-IFRROFPPSA-N	352.152	3.474	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)N/N=C\c1ccc(N(C)C)cc1)c(C)n2C	33350793	FSKVLELPZRJPOE-XKZIYDEJSA-N	364.449	3.325	50	40	FGGB	
CCOC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1ccccc1	72238687	MVXDZEMLKIASIF-UHFFFAOYSA-N	351.362	3.275	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc([N+](=O)[O-])c1O	207828348	XWRUMFVYUAAODZ-IYVNWDGISA-N	367.361	3.093	50	40	FGGB	
CCn1nc(C)c(/C=N/NC(=O)CSc2nc3ccccc3s2)c1C	2317603	HYDJJBBXBSWRDN-GIJQJNRQSA-N	373.507	3.372	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)CCC(=O)Nc2cccc(Cl)c2C)cc1	5006420	JJMMPAZPSNYDQG-UHFFFAOYSA-N	373.840	3.137	50	40	FGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c1	408778855	YSNVGCGIULHWPO-KEBDBYFISA-N	356.447	3.385	50	40	FGGB	
O=C(OCc1ccccc1)N1CC(CCCI)C1	71864360	OGJVOAPBMUCTSH-UHFFFAOYSA-N	359.207	3.470	50	40	FGGB	
COc1ccc(/C=C/C(=O)NN)cc1OCc1ccc(F)cc1Cl	216901459	KBRMGNSWCDVSMV-XVNBXDOJSA-N	350.777	3.070	50	40	FGGB	
O=C(N/N=C\c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O	83329751	GVQSCQWJYFUCAD-CLLFQMGYSA-N	367.192	3.072	50	40	FGGB	
COC(=O)c1ccc(C(=O)NNc2nc3ccc(Cl)cc3s2)cc1	4121420	YBOUXTXPBOYCGH-UHFFFAOYSA-N	361.810	3.493	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2F)CC(=O)N1	9363653	SZCHABIBCGJUGN-ZDUSSCGKSA-N	362.426	3.241	50	40	FGGB	
CC1CCN(C(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1	8738701	BWDCQGOQXIOZPI-VUCTXSBTSA-N	356.304	3.404	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2Cl)[C@@H]2CNCC=C12	1302539	IOYRPICKCWBFAJ-UKRRQHHQSA-N	370.243	3.006	50	40	FGGB	
CCCCc1[nH]nc2c1[C@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2	4631609	OLGJYJLPMBMFGV-OAHLLOKOSA-N	372.812	3.353	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(OCC(C)C)cc1	408832194	XDOSADLXVJTYHQ-CIAFOILYSA-N	356.422	3.259	50	40	FGGB	
Cc1cccc(C(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)c1	409215656	CYYMLQCLOYOGFJ-MFOYZWKCSA-N	362.183	3.430	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2)o1)c1cc([N+](=O)[O-])ccc1O	409041679	KMLXBSPYOLRMOD-KEBDBYFISA-N	369.308	3.463	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2cccc(OC(=O)c3ccccc3)c2)cn1	30803153	PFCMDZMAEFODJQ-QRVIBDJDSA-N	359.385	3.373	50	40	FGGB	
CCN(C[C@H]1CCCN(C(=O)CCl)C1)C(=O)OCc1ccccc1	79411963	FWWUCVZCUOZKNB-MRXNPFEDSA-N	352.862	3.123	50	40	FGGB	
CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(F)cc1)c1ccccc1	5288733	GJALIWPDRIFEIB-MNOULKQQSA-N	357.385	3.034	50	40	FGGB	
COC(=O)c1ccc(C(=O)[C@@H](Br)CBr)c(C)c1	575362348	IBMFKXHATMHTHO-JTQLQIEISA-N	364.033	3.123	50	40	FGGB	
C/C(=N\NC(=O)[C@@H](O)c1ccccc1)c1ccc(Br)s1	4899125	PLNIGZYUGDDBPJ-WFSQQTBHSA-N	353.241	3.084	50	40	FGGB	
C=CCOC(=O)/C(C#N)=C/c1cc(Br)c(OCC)c(OC)c1	7208476	VDSUWCLDZMJWKJ-KPKJPENVSA-N	366.211	3.493	50	40	FGGB	
CCN(C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CCl	79392686	BSMLVHAQIDGMTH-MRXNPFEDSA-N	352.862	3.123	50	40	FGGB	
Cc1cc(C)[n+]2c(c1C#N)S[C@@H]1CCC[C@@H](I)[C@@H]12	4460106	OFJPIICYBRJOKX-UPJWGTAASA-N	371.267	3.466	50	40	FGGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)O)NC3=C2C(=O)CCC3)cc1	100924492	SJKZISIUGAYOTM-KRWDZBQOSA-N	354.431	3.242	50	40	FGGB	
N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@H]1c1ccccc1	6496086	PLAJAJKJXFLXMG-INIZCTEOSA-N	369.490	3.161	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)NNc1ccccc1)[C@H](Br)C2=O	100749216	PWPFFIVPKSAXRG-CSMYWGQOSA-N	365.271	3.289	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)ccc1O	1480591	VXXZLIRUQXBGNU-HMASQMOLSA-N	362.813	3.280	50	40	FGGB	
N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)NC[C@H]1CCCO1	409206429	OHIAABILWMBFTQ-JBNJFFQFSA-N	374.238	3.133	50	40	FGGB	
Cc1c(-c2ccc(/C=N\NC(=O)c3ccncc3)o2)cccc1[N+](=O)[O-]	408827922	HXMXTJZUKRPDAP-JAIQZWGSSA-N	350.334	3.322	50	40	FGGB	
CCN(C(=O)CCl)C1CCC(NC(=O)OCc2ccccc2)CC1	79392689	HZFHHPHIJGUYNA-UHFFFAOYSA-N	352.862	3.311	50	40	FGGB	
O=C(NC1CCC(N(C(=O)CCl)C2CC2)CC1)OCc1ccccc1	79392773	XHSFZMPVIJXPHT-UHFFFAOYSA-N	364.873	3.454	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	5898928	GKGDFMPHQDBIQJ-XSFVSMFZSA-N	352.394	3.349	50	40	FGGB	
COC(=O)/C(C#N)=C1\S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	13596487	RGQVWULTOMPUAG-KAKMCVKYSA-N	364.426	3.286	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1	3266654	SHCCGVGZOSXUHG-UFFVCSGVSA-N	352.312	3.243	50	40	FGGB	
C[C@H](NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	6260562	WXQBVJREPILSGR-IVKJLDKCSA-N	357.523	3.459	50	40	FGGB	
CC1(C)CC(=O)C(=CNNC(=O)CC23CC4CC(CC(C4)C2)C3)C(=O)C1	60863196	JPQBIJXTVFLPSH-UHFFFAOYSA-N	358.482	3.056	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2)cc1[N+](=O)[O-]	409362426	JKBOBHSKJOTHQD-XSFVSMFZSA-N	355.394	3.385	50	40	FGGB	
CCS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(Cl)cc1Cl	96519126	XWJQLVNJQUWGOE-UWVGGRQHSA-N	362.072	3.183	50	40	FGGB	
Cc1ccc(/C=C/C(=O)NNC(=O)c2ccc(Br)s2)s1	8305708	IIFRDIGEDKARIP-QPJJXVBHSA-N	371.281	3.355	50	40	FGGB	
Cc1ccccc1NC(=O)C(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	4893143	LPOCHPULHJTXQR-UHFFFAOYSA-N	373.412	3.062	50	40	FGGB	
O=C(N/N=C(/CC(=O)C(F)(F)F)c1ccccn1)c1ccc(Cl)cc1	17160677	WDPVLVGRYKHEKN-XKZIYDEJSA-N	369.730	3.391	50	40	FGGB	
CCc1ccc(C(=O)NNC(=O)Cc2nc(-c3cccs3)oc2C)cc1	12758162	DWKOGEGMEAIKDB-UHFFFAOYSA-N	369.446	3.278	50	40	FGGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@H](C)C(=O)O)cc1	408851392	YQQJWHPVFDGZJB-VQCBNXJZSA-N	350.374	3.393	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1	408971276	IBYLTEVGYHOERE-RGVLZGJSSA-N	354.362	3.223	50	40	FGGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCSc3ccccc32)cc(C#N)n1C	32339582	LRAQJFCQABTDAH-DWCFMXGVSA-N	362.458	3.465	50	40	FGGB	
C/C=C1\C[N+]2(CCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	3999404	BDPFMCBRYUSSOJ-MAWZUJCLSA-O	351.470	3.487	50	40	FGGB	
COc1ccc(-c2csc(N(CCCN(C)C)C(=O)CCl)n2)cc1	4169384	PVLMPPCGGXYDNU-UHFFFAOYSA-N	367.902	3.342	50	40	FGGB	
CC(C)(C)OC(=O)NCCNP(=O)(c1ccccc1)c1ccccc1	103708944	BRVAAKUBSNUWOB-UHFFFAOYSA-N	360.394	3.030	50	40	FGGB	
COC(=O)c1occc1/C=C(\C#N)c1nc2sc(C)c(C)c2c(=O)[nH]1	12569146	NWKZPSTWSVSSMZ-IZZDOVSWSA-N	355.375	3.045	50	40	FGGB	
COc1cc(/C=C(\C#N)C(N)=S)c([N+](=O)[O-])cc1OCc1ccccc1	108031776	DGHUWNOLARFLMP-VGOFMYFVSA-N	369.402	3.375	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccccc1Cl	408741314	PAFAMTBSPIMBKJ-BBJIBYMTSA-N	354.797	3.095	50	40	FGGB	
O=C(CBr)c1cccc(NS(=O)(=O)c2ccccc2)c1	27529760	KFSGHEAIJHAJAL-UHFFFAOYSA-N	354.225	3.065	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccccc1C(=O)O	409003352	ZPQODEPMNGBPEM-RGVLZGJSSA-N	351.362	3.149	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2ccc(F)cc2)cc1Br	30822006	GTTBMKZKHBJKRJ-NVMNQCDNSA-N	351.175	3.361	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cnn(-c2ccccc2)c1	253399855	KBNALNXSPDKACG-GOSISDBHSA-N	360.417	3.323	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1	6685718	COJOKCBDZUMHKK-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
Cc1ccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2)cc1	408996610	JFAOZCNKLUCLBQ-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
O=C(CCc1ccc(F)cc1)NNC(=O)c1cc2ccccc2cc1O	8878335	YLXCBSSDZWCQRA-UHFFFAOYSA-N	352.365	3.078	50	40	FGGB	
C#CCOc1ccc(OC)cc1/C=N/NC(=O)Cc1ccc(Cl)cc1	409373161	RGMCQEVUZUFYAY-FYJGNVAPSA-N	356.809	3.053	50	40	FGGB	
CCOCCCNC(=O)/C(C#N)=C/c1cc(Br)ccc1F	6647431	WODMTJSZNXAONA-XYOKQWHBSA-N	355.207	3.038	50	40	FGGB	
O=C(Cl)[C@@H]1CC(=O)N(c2cc(C(F)(F)F)ccc2N2CCCC2)C1	45888090	MFFBCNUYDBTVTD-SNVBAGLBSA-N	360.763	3.424	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(Br)c([N+](=O)[O-])c2)cc1	135751683	ZWPIIXLMORKDDF-MFOYZWKCSA-N	362.183	3.430	50	40	FGGB	
C[C@H](Sc1ccccc1)C(=O)NNC(=O)[C@H](C)Sc1ccccc1	40158852	KOWVYCOBJKAIMO-KBPBESRZSA-N	360.504	3.495	50	40	FGGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1cccc(C)c1	4697870	NHYAEJVFRPOIRT-PXLXIMEGSA-N	352.438	3.196	50	40	FGGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(I)cc1	7930260	JZIWIQCAPZMVHJ-GZTJUZNOSA-N	364.186	3.445	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cc1C	1011066	YEAKYRAPSVOXGD-AWQFTUOYSA-N	360.801	3.427	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)c(OC)c1	1246740	GLMJRYJPGMONPT-VXLYETTFSA-N	371.418	3.087	50	40	FGGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cccc2c1OCCO2	58915543	PUYMNMYIGGZXDV-RGVLZGJSSA-N	356.447	3.150	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	1818930	MVGQJSSNKOMPSS-QGOAFFKASA-N	359.429	3.359	50	40	FGGB	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(OC[C@@H]2CCCO2)cc1	58314047	UACQHNHRTICOCI-ZDUSSCGKSA-N	366.339	3.419	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)o1	3621551	PAYUOTKXJDFQIM-UHFFFAOYSA-N	350.802	3.168	50	40	FGGB	
CC(C)(C)OC(=O)NNC(=O)/C=C/c1cc(Br)ccc1F	7006913	KGMJIRHVHYVWPU-QPJJXVBHSA-N	359.195	3.157	50	40	FGGB	
COC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N1	20347958	NURARRFNGUJEPN-GOSISDBHSA-N	368.458	3.330	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1	2317541	ILINHHGUEMUJHS-UDWIEESQSA-N	365.462	3.033	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(OC)c(OC)c(OC)c1	3616388	QWHNPQQKKZJBSC-NTEUORMPSA-N	368.389	3.267	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cccnc1	408963778	ASMGRBLQRFVKPY-BHGWPJFGSA-N	361.380	3.264	50	40	FGGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC	33395069	MZVMUIUDXVWAJO-BKUYFWCQSA-N	372.421	3.265	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccnn1C1CCCC1	253409272	ZWYMLTHTWKAFSU-KRWDZBQOSA-N	352.438	3.449	50	40	FGGB	
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)c1	17074086	GUJQQQDPTVHBFY-KRWDZBQOSA-N	359.385	3.145	50	40	FGGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1cccnc1	1445052	GVKAFLXCAJNDKL-FSJBWODESA-N	363.348	3.204	50	40	FGGB	
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1ccco1	3014018	GKGAJUGXNJROTA-QTCOBDOFSA-N	361.401	3.291	50	40	FGGB	
Cc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccncc2)cc1[N+](=O)[O-]	2740273	RXLWPYCHRIJCGW-ZBJSNUHESA-N	360.373	3.481	50	40	FGGB	
O=C(NN=C1CCCCCC1)C(=O)Nc1ccccc1Br	59435840	YSPOVKRHNKSNOW-UHFFFAOYSA-N	352.232	3.214	50	40	FGGB	
C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CI	103672729	RRHSBISFIQTULS-AKEJEFCPSA-N	357.029	3.190	50	40	FGGB	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1cccc2cccnc12	2388137	QRPNEJVOUVPULO-BFTVFPACSA-N	370.453	3.234	50	40	FGGB	
Cc1ccc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1[N+](=O)[O-]	15975321	GDLLVRIEDRHFBK-UHFFFAOYSA-N	361.226	3.356	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](C)SCc1ccccc1	20248993	IHWMHGAABMPZCH-OTGIAGGSSA-N	373.434	3.375	50	40	FGGB	
CC(C)N(C(=O)OCc1ccccc1)[C@@H]1CCCN(C(=O)CCl)C1	79412017	LMTOKVYGVYLJAT-MRXNPFEDSA-N	352.862	3.263	50	40	FGGB	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NNC(=O)c1ccccc1F	40140313	YKTBGSANPWZDEU-AWEZNQCLSA-N	358.413	3.486	50	40	FGGB	
O=C(NCc1ccccc1)[C@H](CCCl)n1cc(-c2ccccc2)nn1	2087157792	NSTQWBYWOCGTAQ-SFHVURJKSA-N	354.841	3.432	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(OC)c1OC	59133423	KXZGBZUMPUGGSX-MTOJCTJASA-N	366.417	3.497	50	40	FGGB	
COc1cccc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)c1	13688215	XPZQWRDPKIVRLU-CIAFOILYSA-N	354.435	3.204	50	40	FGGB	
O=C(NNC(=O)c1ccc(-n2cnc3ccccc32)cc1)c1ccccc1	17171014	VRMZDXSIELVCSH-UHFFFAOYSA-N	356.385	3.100	50	40	FGGB	
N#C/C(=C/c1ccc(I)cc1)C(=O)NC1CCCC1	409188068	FPVWSUQSOUZELA-XFXZXTDPSA-N	366.202	3.257	50	40	FGGB	
COc1cc(N2CCCC2)ccc1/C=N\NC(=O)Cc1ccc(F)cc1	409234978	BQDYFMPQECJVFT-HMAPJEAMSA-N	355.413	3.127	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)cc1O	5379530	NUKYHARRUOUBAS-CIAFOILYSA-N	369.421	3.149	50	40	FGGB	
CC(C)(C)c1ccc(OCCCC(=O)NNC(=O)c2ccccc2O)cc1	24753983	BDGRRBYMTSBWGT-UHFFFAOYSA-N	370.449	3.310	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(OC)cc2)c1C	24435357	MCRIZQZYZMWXSL-QGOAFFKASA-N	367.449	3.162	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2ccccc2C(F)(F)F)cc1OC	59459569	NIDAZQZWJKNBEF-SSDVNMTOSA-N	366.339	3.415	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSc2ccccn2)ccc1OC(C)C	13284490	ZRBVRNAACVXKKM-RGVLZGJSSA-N	359.451	3.120	50	40	FGGB	
O=C(CCSc1ccc(F)c(F)c1)NNC(=O)c1ccc(F)cc1	7913883	HFNKMUCEZAIGCG-UHFFFAOYSA-N	354.353	3.047	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1	409117468	NTGQDXOOUBWDHU-PVGUKEHMSA-N	356.447	3.413	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	1083270	YSDNMEQBTBYXGE-JJIBRWJFSA-N	373.456	3.139	50	40	FGGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5338414	OYCGDTSFGIXVCS-CIAFOILYSA-N	364.361	3.417	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@H](c2ccccc2)N2CCCCC2)cc1	1698276	SNDKKVBDOICQAZ-OFXNXBLFSA-N	351.450	3.373	50	40	FGGB	
C/C(=N\NC(=O)c1sc2nc(C)cc(C)c2c1N)c1scnc1C	41700292	DNNXXCAZWPANJX-KEBDBYFISA-N	359.480	3.414	50	40	FGGB	
Cc1cc(C)n2nc(SCc3nnc(SCCCCl)o3)nc2n1	2182088	CWWPNMSIODHRTM-UHFFFAOYSA-N	370.891	3.137	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1	29327495	ZCYVWZONRLFHLO-LJQANCHMSA-N	360.417	3.124	50	40	FGGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)N(C)C)o2)c1	408855390	CTBKXHFDLNGKCJ-WQLSENKSSA-N	358.781	3.382	50	40	FGGB	
C/C(=N/NC(=O)COc1cccc(Br)c1)c1cccs1	33343716	WEIACEDKMYHGDX-YBEGLDIGSA-N	353.241	3.430	50	40	FGGB	
CCN(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CCl	79392683	COVYULFGTRUSGW-MRXNPFEDSA-N	352.862	3.265	50	40	FGGB	
CCO[Si](C)(N(C)C(=O)c1ccccc1)N(C)C(=O)c1ccccc1	195766234	BLEJWUIEUACHKH-UHFFFAOYSA-N	356.498	3.136	50	40	FGGB	
Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N/N=C/c1ccc(F)s1	252508332	XKLPZIVGHKNPJU-HAVNEIBRSA-N	354.716	3.057	50	40	FGGB	
COc1ccc(C(=O)NNc2nc3c(OC)cccc3s2)cc1OC	4121316	NRNWZJCQDGLVQY-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
C=CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1	59417035	IOQMVYHNFJBOPW-UDWIEESQSA-N	366.446	3.370	50	40	FGGB	
O=C(COc1ccc2ccccc2c1Br)N/N=C/c1ccc[nH]1	953773	NTKDFJBJNPDFSS-KEBDBYFISA-N	372.222	3.460	50	40	FGGB	
Cc1cc(C)c2c3c(sc2n1)[C@]1(CCN(C)C[C@@H]1C)C(C#N)=C(N)O3	4620610	LLQUIEVPVPAXDR-WLRWDXFRSA-N	354.479	3.209	50	40	FGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCCc2ccccc2)c1	408725808	IERWXXPKLJOBTL-PXLXIMEGSA-N	369.490	3.461	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)cc1OC	12843977	JJMINKPHRCINEN-SRZZPIQSSA-N	356.422	3.158	50	40	FGGB	
CC1(C)[C@]2(C(=O)Nc3ccccn3)CC[C@@]1(C)C(=O)[C@H]2Br	6859222	COXDGJRANVSIPH-XFBWCDHKSA-N	351.244	3.179	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccccc2C)cc1OC	6959580	WDIVVKXSDRPXQY-CIAFOILYSA-N	356.809	3.433	50	40	FGGB	
N=C(COc1ccccc1)NNC(=O)c1cccnc1Oc1ccccc1	1384980	DDUALJVVSUIDSW-UHFFFAOYSA-N	362.389	3.165	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	1957571	SPBOQPIZEPLRGT-VCHYOVAHSA-N	356.338	3.390	50	40	FGGB	
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c21	8972425	NZUOZSZALAMBAV-INIZCTEOSA-N	362.364	3.443	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)N/N=C\C=C/c2ccc([N+](=O)[O-])cc2)c1	12859453	JTOKQJIMSLQVCG-YIOKEUICSA-N	353.378	3.406	50	40	FGGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1)c1ccccc1	59519737	JSJAAFVEHUVWFU-QQHUYRGFSA-N	351.450	3.312	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1	1259289	STFGKURRUGCVKH-LPYMAVHISA-N	363.373	3.282	50	40	FGGB	
COc1ccccc1C(=O)N/N=C(\C)CC(=O)Nc1ccccc1Cl	100289134	QGPXBJADDGJNLO-CIAFOILYSA-N	359.813	3.483	50	40	FGGB	
O=C(N/N=C1\[C@@H]2[C@@H]3[C@H]4C[C@@H]2[C@H]2[C@@H]4C[C@@]3(Br)[C@@H]12)Nc1ccccc1	104202589	HCFSRGORWIYYSO-GSAKWFIRSA-N	372.266	3.459	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN3CCCCC3)c2C)cc1	28216574	IKMDQMOWKNUTEK-HYARGMPZSA-N	352.482	3.339	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(N/N=C/c2ccc(O)cc2)cc1	6888988	IPGRWXLWMQYUSW-MSKUYSOUSA-N	374.400	3.308	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1C	408960914	JIJXUUXCLDDFNU-VXLYETTFSA-N	353.334	3.422	50	40	FGGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	3059591	HLIUMSIESZDVIQ-DEDYPNTBSA-N	368.393	3.026	50	40	FGGB	
O=C(O)c1ccnc([C@@H]2CCCC/C2=N\NC(=O)c2ccc(F)cc2)c1	16778485	LEPXSNHWBARZHP-JZRFMTABSA-N	355.369	3.363	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)c1O	59473220	VBGCWDIVQGGGLR-KEBDBYFISA-N	358.463	3.401	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1OC	1052267	XFUDZLYKQRESDX-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3cccc(C)c3C)ccc21	3297344	HRNZOOHYKHHITI-UHFFFAOYSA-N	350.422	3.056	50	40	FGGB	
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C/c1ccc2c(c1)OCO2	4811603	YUYAVSPRCYZKLO-HQXHLCNUSA-N	355.221	3.457	50	40	FGGB	
CC(C)(C)C(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1	408996266	HBZXQHFRWKEEKW-UHFFFAOYSA-N	373.840	3.399	50	40	FGGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccncc1	712004	HDVNFFTVVRJNEQ-RGVLZGJSSA-N	363.402	3.466	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N3CCCCC3)o2)c1	6380573	ZGYVYROIONMKKD-DEDYPNTBSA-N	357.410	3.051	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2ccccc2I)c(C)o1	6566624	KCVFWQAJRMGTPK-LZYBPNLTSA-N	368.174	3.265	50	40	FGGB	
CC/C(=N\NC(=O)Cn1ccc(C(F)(F)F)n1)c1cccc(Cl)c1	5788327	WFYCWNLTRTWFMP-UDWIEESQSA-N	358.751	3.486	50	40	FGGB	
O=C(Cn1nc(C(F)F)cc1C(F)F)N/N=C/c1ccc(F)s1	252489570	JTWFREDZKMKZDP-JJPRUIFNSA-N	352.288	3.109	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1OCC	6155831	HGXDDYLEUXBEFR-FYJGNVAPSA-N	369.421	3.206	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2I)cc1	6204280	SELAYWGIECTJJF-LICLKQGHSA-N	364.186	3.364	50	40	FGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccs1	1022117	XUIAUWYNTVXBGK-MRVPVSSYSA-N	359.234	3.283	50	40	FGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)c1ccc(F)cc1	6338304	YUZXIUXOBVLAMQ-UHFFFAOYSA-N	364.376	3.333	50	40	FGGB	
CC(=O)N1CCc2cc(C(=O)NNc3ccccc3C(F)(F)F)ccc21	53275431	FSNUDNIDHPEKLT-UHFFFAOYSA-N	363.339	3.371	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(O)c(OC)c2)cc1	1319363	XEXWSFSURATEEO-STCDJXRXSA-N	356.422	3.443	50	40	FGGB	
COC(=O)N/N=C/c1ccc(OC[C@H](C)COc2ccccc2)c(OC)c1	4525993	WUUPORPFJXHWQE-VRCTWVPOSA-N	372.421	3.479	50	40	FGGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(O)c1	408789371	PHULIKQFSGTVSO-RVDMUPIBSA-N	351.406	3.490	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)n1c(C)c(C(=O)NN)c2ccccc21	216776958	CXFYNVAEUAQNKW-UHFFFAOYSA-N	371.824	3.234	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1OCC	40911366	GIACNZNFSJOGHQ-FYJGNVAPSA-N	372.421	3.022	50	40	FGGB	
C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccc(O)cc1	22226838	YSFRVUKMYXCRAH-CGOBSMCZSA-N	373.627	3.484	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCC(C)C)cc2)cc1OC	408832520	XKWYBAABPUHLBS-LPYMAVHISA-N	370.449	3.431	50	40	FGGB	
CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)c(OC)c1	409243535	SFCVAWYQOBFAEH-HMAPJEAMSA-N	357.429	3.373	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(N2CCCC2)cc1C	35212604	KWQWOXBUSCNYGH-HMAPJEAMSA-N	367.449	3.133	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc([N+](=O)[O-])c1O	35582325	FCCMHPNLSGBIAN-VGOFMYFVSA-N	367.361	3.472	50	40	FGGB	
O=C(NNC(=O)c1cc(Br)ccc1Cl)c1cccs1	5272663	WKKATYVFAGSQSN-UHFFFAOYSA-N	359.632	3.239	50	40	FGGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)/C=C/c2ccc(F)cc2)c1C	14822416	PLYFGFPEDDDHGE-RZXPCSSPSA-N	356.397	3.071	50	40	FGGB	
CC(C)c1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2	4166695	YVGRIPYLOKTUSJ-UHFFFAOYSA-N	363.465	3.153	50	40	FGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	58912416	FHSAMUBLFVXYDF-CIAFOILYSA-N	374.872	3.066	50	40	FGGB	
Nc1ccccc1C(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	4062868	GOWVRXFGTCQFHG-RGVLZGJSSA-N	350.334	3.201	50	40	FGGB	
COc1cc(Cl)cc(/C=N\NC(=O)COc2cccc(C)c2C)c1O	13945591	YDFSOJUKXMLUAW-UKWGHVSLSA-N	362.813	3.200	50	40	FGGB	
CCOc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccc(OC)c1	4680533	LODCXDROVFRBJU-HYARGMPZSA-N	369.421	3.228	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1cccc(Cl)c1	408739929	GTLMMKXGMRYWDO-MBTVCVBTSA-N	354.797	3.095	50	40	FGGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1O[C@H](C)C(=O)O	409239196	OUKZOWVOBYVLFQ-LKKYZFDUSA-N	366.373	3.093	50	40	FGGB	
O=C(N/N=C\c1ccccc1I)c1ccccc1	33361488	XXTBREZVHPAPNY-YBEGLDIGSA-N	350.159	3.055	50	40	FGGB	
C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1	1499809	VBNWDWJGHOTOLM-VDCVXVNISA-N	369.406	3.102	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccn1)[C@H](Br)C2=O	100924450	COXDGJRANVSIPH-HFBAOOFYSA-N	351.244	3.179	50	40	FGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1	408812574	WXWRZXPOTRCHCX-KAQJVSAMSA-N	350.260	3.337	50	40	FGGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1nccs1)O[C@H](C)C2	5070372	GQLPKXVRHRNUAI-LLUUXILJSA-N	355.419	3.411	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	5467261	IOCFVMWWFSAJSK-MUBRZRMLSA-N	369.377	3.188	50	40	FGGB	
C/C(Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2)=C(/C#N)C(N)=O	7735686	XTYPQPVSJCEILN-GYXQTMOZSA-N	361.467	3.133	50	40	FGGB	
N#C/C(=C/c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Cl)cc1	96792414	CUIYOMKOSHUDSP-DHDCSXOGSA-N	361.806	3.450	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccccn2)o1	408723573	WVIGRKXALHQOCC-RGVLZGJSSA-N	366.333	3.022	50	40	FGGB	
Cc1ccc(O[C@@H](C)C(=O)N/N=C\c2ccncc2)c(Br)c1	32694261	NQZSJCAJQMVUJS-ZTPSMGMTSA-N	362.227	3.070	50	40	FGGB	
CN(C)c1ccc(/C=N\NC(=O)Cc2ccc(Br)cc2)cc1	36144783	BHFATILUCRZGAO-UNOMPAQXSA-N	360.255	3.208	50	40	FGGB	
O=C(CNc1ccc(Br)cc1)N/N=C/c1c[nH]c2ccccc12	1501007	SYKYSKKGZZDIBE-UFFVCSGVSA-N	371.238	3.493	50	40	FGGB	
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)Cc3ccsc3)cc2C1	10029669	NTYLZKVIXXMRJD-NSHDSACASA-N	363.508	3.421	50	40	FGGB	
C[C@@H](Sc1ccccc1)C(=O)NNC(=O)[C@@H](C)Sc1ccccc1	40158851	KOWVYCOBJKAIMO-ZIAGYGMSSA-N	360.504	3.495	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1cccc(OCC)c1	8733200	LIMGRUUBSHEGSP-AWEZNQCLSA-N	371.275	3.094	50	40	FGGB	
CCOC(=O)/C(C#N)=C\C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1	4460991	ZACQQZBJKFFWKW-NAAIVWGJSA-N	364.445	3.463	50	40	FGGB	
CCCCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(C)oc(=O)c21	4652913	UBAZZCGNSKFQLU-KRWDZBQOSA-N	352.390	3.345	50	40	FGGB	
C#CCOc1cccc(/C=N\NC(=O)c2ccc(OCC)c(OCC)c2)c1	409315778	KOXXKMIVEHUKCD-JCMHNJIXSA-N	366.417	3.260	50	40	FGGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cccc(C#N)c1	17074201	ZXSLFUXTWMSNNZ-WQRHYEAKSA-N	360.373	3.367	50	40	FGGB	
C=CCN(c1ccc(C(=O)NN=C(C)C)cc1)S(=O)(=O)c1ccccc1	19926596	NQESXEMQEPCDFS-UHFFFAOYSA-N	371.462	3.194	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OC)cc2OC)cc1	59473805	PNHRAZMKFQEJHW-RGVLZGJSSA-N	374.462	3.096	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC)c([N+](=O)[O-])c1	40865910	HVWTYNVVOYWVMF-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)ccc1O	6145582	RUFWUZASSKOAQD-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
Cc1cc(C)c2sc(NNC(=O)[C@@H]3COc4ccccc4O3)nc2c1	4121465	XUBNUDUHWVTPJM-HNNXBMFYSA-N	355.419	3.196	50	40	FGGB	aggregator
COc1ccc(NC(=O)C/C(C)=N/NC(=O)C2CCCCC2)c(OC)c1	100927753	RHQKFZDRLDZIKM-FYJGNVAPSA-N	361.442	3.105	50	40	FGGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COC(=O)c1c(F)cccc1F)C2	102283846	BTWZZMXIGRHVJZ-CIICTDTKSA-N	364.392	3.440	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)ccc1O	682794	MEMSKAPWIXHDBD-RGVLZGJSSA-N	351.362	3.128	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3Cl)CC2=O)cc1	4550512	VNECYAVTPWQMRP-UGVMZYNRSA-N	355.825	3.152	50	40	FGGB	
C[C@H](NC(=S)NNC(=O)c1cccs1)C12CC3CC(CC(C3)C1)C2	4741217	BXKFIVJQBUOHKO-IWERZKIRSA-N	363.552	3.462	50	40	FGGB	
N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@@H]1c1ccco1	409123655	DBNOEFIJNRJNDC-ZDUSSCGKSA-N	355.375	3.460	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1OC	408676059	DETYPAVLVCYDQT-KGENOOAVSA-N	353.422	3.068	50	40	FGGB	
COc1ccccc1/C=N\NC(=O)C(O)(c1ccccc1)c1ccccc1	33340895	VAWJDHZLJPOUFA-KQWNVCNZSA-N	360.413	3.081	50	40	FGGB	
O=C(c1ccccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@@H]2Br	252444400	RULWUBNGPMNJKQ-XHIBXCGHSA-N	355.615	3.094	50	40	FGGB	
CC/C(=N\NC(=O)c1ccc(OC)c(OC)c1)c1ccc(OC)c(OC)c1	6377852	MSQNAGVGZJQCBD-RCCKNPSSSA-N	372.421	3.265	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	5006494	AXLDDOYOBCYKSH-SFQUDFHCSA-N	354.381	3.074	50	40	FGGB	
COc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)cc(Cl)c1O	30843692	AHEYFVUUDPFPJE-UKWGHVSLSA-N	362.813	3.200	50	40	FGGB	
O=C(N/N=C\c1ccc(O)c(O)c1)C1c2ccccc2Oc2ccccc21	32679244	MOSKSLWSEYIEBF-UUYOSTAYSA-N	360.369	3.486	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1	59417706	QBASBJMLFSUNBV-FYJGNVAPSA-N	364.357	3.271	50	40	FGGB	
COC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1	3275370	JRHJIHPFYGPQMU-UDWIEESQSA-N	350.378	3.238	50	40	FGGB	
CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	58914818	ZYPSJZFCURPGEA-SRZZPIQSSA-N	361.829	3.212	50	40	FGGB	
Cc1cc(C)nc(SCc2ccc(C(=O)NNC(=O)CC(C)C)cc2)n1	12806838	CVSUXSWODLJKJH-UHFFFAOYSA-N	372.494	3.193	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])o1	33479543	ZSCXFIIDCKSDPE-XKZIYDEJSA-N	374.356	3.419	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2ccc(OCc3cccs3)cc2)n1	40080034	FGGPGICDKYVRNB-UHFFFAOYSA-N	354.435	3.491	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	3140207	VJPBSODYBGPDQX-UDWIEESQSA-N	355.394	3.421	50	40	FGGB	
Cc1cccc(NCC(=O)N/N=C/c2cc(Br)ccc2O)c1	1435567	QIWHSLDGJONLKF-DJKKODMXSA-N	362.227	3.025	50	40	FGGB	
CC(=O)C1=C(O)C(=O)N(CCBr)[C@@H]1c1ccccc1Cl	17862808	WFTUSKMXHLFMTL-GFCCVEGCSA-N	358.619	3.019	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	408795786	NDDCQIHEYYGOTB-BRFSQIRFSA-N	364.401	3.023	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)N1CCCCCC1	58914498	STGBCBHYCUJTSN-BKUYFWCQSA-N	373.840	3.453	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2)cc1OC	20248882	OXLWAFNFQVJYRJ-XSFVSMFZSA-N	358.463	3.477	50	40	FGGB	
CCN(CC)C(=O)N(CCCCCCN(N=O)C(=O)N(CC)CC)N=O	5313797	KDLOJNUTEXEEIA-UHFFFAOYSA-N	372.470	3.437	50	40	FGGB	
N#C/C(=C\c1ccc(I)o1)C(=O)Nc1ccccc1	6240968	WDSJECPUDHKKHS-CSKARUKUSA-N	364.142	3.430	50	40	FGGB	
C/C(=N/NC(=O)[C@@H]1COc2ccc(C(C)(C)C)cc2O1)c1ccccc1O	101444459	MRAJSFKPCNEIJP-CVHFWEDTSA-N	368.433	3.370	50	40	FGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2)cc1	17074173	OMQQRVXJYIRORW-CIAFOILYSA-N	359.813	3.218	50	40	FGGB	
CC(C)OC(=O)COc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1	409186815	IFAKSQIVAXSEFM-ATVHPVEESA-N	370.449	3.373	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1C[C@H]1CCCO1	409201554	WHKHKKGCNSQSJB-KTFKWIISSA-N	364.449	3.041	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	4953591	RDPOSFMMXSAUEA-MDWZMJQESA-N	352.306	3.357	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)c2ccc(CC)cc2)cc1OCC	5273249	MGHOJCYSLSTDKI-UHFFFAOYSA-N	356.422	3.121	50	40	FGGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)n1	9690714	JENQNIDCMNMUJH-PKNBQFBNSA-N	366.812	3.497	50	40	FGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccccc1OC)c1ccccc1	408980666	SBJXJDGLMRRBKV-AQRZYSDFSA-N	369.421	3.023	50	40	FGGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc(OC)c1O	408793033	CYKOXIOFJIFYRT-XNTDXEJSSA-N	350.374	3.381	50	40	FGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409231700	FSEJOEIUIGOKMA-YZYPPFLQSA-N	360.413	3.492	50	40	FGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)c1	408970087	AFJQDLQAPUWXGB-OEAKJJBVSA-N	374.444	3.491	50	40	FGGB	
CCc1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	5877872	VRWNIMDWZBGHBY-UHFFFAOYSA-N	367.232	3.396	50	40	FGGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1NC(=O)c1ccccc1	8334490	VDJVHZDTCHYFAJ-HZHRSRAPSA-N	374.444	3.182	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CN2CCCc3ccccc32)cc1	3202154	UPGNJIWGWDXQBC-XQNSMLJCSA-N	364.493	3.436	50	40	FGGB	
CC(C)(C(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1	12941980	CVDVQLWQRNINID-UHFFFAOYSA-N	361.239	3.188	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(Br)cc2)c(O)c1	5159023	PPKNMOONJFSCTD-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3c(c2)OCO3)cc1	408777267	XQENRYORYAVKPQ-MFOYZWKCSA-N	364.401	3.426	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)cc1	408725253	GIYVHAOTWQHISX-CIAFOILYSA-N	364.357	3.417	50	40	FGGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc([N+](=O)[O-])c1O	408544530	WXLQBKYNAYQBIR-AUWJEWJLSA-N	354.318	3.461	50	40	FGGB	
O=C(CCl)Nc1ccc(Br)cc1C(=O)c1ccccn1	33506622	LYISZEZBKBGONS-UHFFFAOYSA-N	353.603	3.252	50	40	FGGB	
O=C(OCc1ccccc1)N(C[C@H]1CCCN1C(=O)CCl)C1CC1	79412084	LCAHHANGYRSPQO-MRXNPFEDSA-N	350.846	3.017	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)cc1OCC	33795054	CHQJEFVKVMOPDA-FYJGNVAPSA-N	369.421	3.206	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC[C@@H](N(C(=O)CCl)C2CC2)C1	79392763	OCMPQPBRKMRLBK-MRXNPFEDSA-N	350.846	3.017	50	40	FGGB	
O=C(CCl)N1CCC[C@H](N(C(=O)OCc2ccccc2)C2CC2)C1	79412118	QGKOXLMFMBWRCL-INIZCTEOSA-N	350.846	3.017	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)ccc1O	6170087	WYUOLDCVYBRABN-GIJQJNRQSA-N	371.374	3.288	50	40	FGGB	
Cc1ccc(O[C@@H](C)C(=O)NN=Cc2ccncc2)c(Br)c1	8556664	NQZSJCAJQMVUJS-LBPRGKRZSA-N	362.227	3.070	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@H]2CCCO2)c(C)n1-c1ccc(F)c(F)c1F	43974413	JVTXWBJEVYATHN-XUMUCCENSA-N	365.355	3.141	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	3286062	HLMKKJZOWNQDJL-NGWPFTMJSA-N	366.417	3.497	50	40	FGGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)s2)n1	14178300	ZCTRNXQSIQZBCZ-FMIVXFBMSA-N	366.425	3.452	50	40	FGGB	
CNC(=O)/C(C#N)=C/c1cc(C)n(-c2sc(C)c(C)c2C(=O)O)c1C	4739645	XEJXTIINGFXJCL-VGOFMYFVSA-N	357.435	3.124	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409224476	HUQOVMCSTOWMHS-AQTBWJFISA-N	350.418	3.360	50	40	FGGB	
CCN(C(=O)CCl)[C@H]1CCCC[C@H]1NC(=O)OCc1ccccc1	79392697	OUUXPGNENYIVTB-CVEARBPZSA-N	352.862	3.311	50	40	FGGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(Br)c1	6183349	HOUHLJHIHGUUCB-GRNPJDHKSA-N	351.244	3.431	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccc(N)cc1	12362285	XKUZDLRUPWGIQP-WSDLNYQXSA-N	358.829	3.181	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C(\C)c2cccc([N+](=O)[O-])c2)cc1	59473129	REHNCBWPECUHPV-CPNJWEJPSA-N	373.434	3.377	50	40	FGGB	
CNS(=O)(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)C(C)(C)C)o2)cc1	25887145	VVHFKINZANUDFW-SDNWHVSQSA-N	372.446	3.377	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OC	409053066	WXNIPKNYHVPLJK-CIAFOILYSA-N	356.809	3.433	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2cccc(C)c2C)c(O)c1	9553885	ASYULBMMMZRAKN-LPYMAVHISA-N	369.465	3.384	50	40	FGGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc1[N+](=O)[O-]	408544063	UMVKHHOSRGPBBC-AUWJEWJLSA-N	351.318	3.147	50	40	FGGB	
CC(C)N(Cc1ccccc1I)C(=O)CCl	79420782	CQRNNJWIFDOXSC-UHFFFAOYSA-N	351.615	3.267	50	40	FGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CCC(=O)NCc1ccccc1	2132335	PKMNJWVIVYVFMR-OEAKJJBVSA-N	362.433	3.023	50	40	FGGB	
CC1(C)CC(=O)C=C(NNC(=O)COc2ccc(Cl)cc2Cl)C1	13810843	QIQAQAXGSVQRRQ-UHFFFAOYSA-N	357.237	3.266	50	40	FGGB	
COc1cc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)ccc1O	19861252	NVKPBMMQZNGGTA-RGVLZGJSSA-N	371.418	3.175	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1OC	1497088	NVPPCFUINXEHFU-LPYMAVHISA-N	364.401	3.386	50	40	FGGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3ccccc3F)cc2)n1	6189227	KQUWFHHCQBHJQU-WSDLNYQXSA-N	350.397	3.451	50	40	FGGB	
CCOc1ccc2[nH]c(C(=O)N/N=C/c3ccc(OC)c(O)c3)cc2c1	2353083	QRTGKXJYCOARTP-RGVLZGJSSA-N	353.378	3.045	50	40	FGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1ccc(OC)cc1)c1ccccc1	408980697	SJLLEIGWXZXKGD-ALDSOSFCSA-N	369.421	3.023	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408788948	NHNBUYBSMVQZEE-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
CCOc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3o1)OCO2	409100552	URJPWPXXLXWJHU-KEBDBYFISA-N	352.346	3.324	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	2271493	ISVGDKYAIHLSMB-JJIBRWJFSA-N	374.440	3.472	50	40	FGGB	
CCc1ccc(OCC(=O)NNC(=O)/C=C/c2ccc(Cl)cc2)cc1	14833671	BGNAEZWRULFXKU-KPKJPENVSA-N	358.825	3.142	50	40	FGGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1ccc(C)cc1	27026557	FPKIPGHFDVQSAS-UHFFFAOYSA-N	351.362	3.194	50	40	FGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2ccccc2)n1	6964285	XKVVYRLVHAUGOC-UDWIEESQSA-N	365.462	3.127	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1	59921011	ATMDTQLMGONIAX-UFFVCSGVSA-N	352.312	3.487	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408844580	HZLHZIXJZKCRAJ-BIZVEKSISA-N	372.432	3.088	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1	408955430	XEFJRQCYODKQSE-PXLXIMEGSA-N	362.433	3.316	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC[C@H](N(C(=O)CCl)C2CC2)C1	79392760	OCMPQPBRKMRLBK-INIZCTEOSA-N	350.846	3.017	50	40	FGGB	
O=C(N/N=C/c1cc2ccccc2[nH]c1=O)c1ccc(Br)cc1	3149189	ZBRCKTOVVRGFFI-VXLYETTFSA-N	370.206	3.055	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1O	3265891	FVZRQWRPNIERAE-WFSQQTBHSA-N	352.390	3.194	50	40	FGGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cccc2c1OCCO2	58915930	MKDKIQFFWKIWKV-MQMKENTISA-N	356.447	3.230	50	40	FGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2SC)ccc1OC(C)C	12856372	DURZYFLQRRRSGX-UHFFFAOYSA-N	374.462	3.279	50	40	FGGB	
C/C(=N\NC(=O)[C@H](O)c1ccccc1)c1ccc(Br)s1	4899124	PLNIGZYUGDDBPJ-BPKVKKHESA-N	353.241	3.084	50	40	FGGB	
O=C(N/N=C\c1ccc(N(CCCl)CCCl)cc1)c1cccnc1	73129128	COVXLRKMGDYPCL-MTJSOVHGSA-N	365.264	3.130	50	40	FGGB	
O=C(N/N=C/c1ccccc1F)C(=O)Nc1ccc(Cl)c(Cl)c1	13921589	ZZMLGBSYWQHSSP-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-]	6216075	LKXRBSFRFLSXCK-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1OC	7385235	NEUOSDMJVUNHSN-PXLXIMEGSA-N	367.449	3.458	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)c2c(C)nc3ccc(Cl)cn23)ccc1O	59515853	FZOQLNOSDKKHEI-UKWGHVSLSA-N	372.812	3.164	50	40	FGGB	
COc1c(Cl)cc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	9015230	ZPJNQNSOWXRWBZ-LBPRGKRZSA-N	351.193	3.252	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCC(N)=O)c1	409221788	AYBIHTCGATUTCE-RIYZIHGNSA-N	369.808	3.058	50	40	FGGB	
O=C(N/N=C/c1coc2ccccc2c1=O)c1ccccc1Br	654831	HFYWERSFMMIDPA-DJKKODMXSA-N	371.190	3.319	50	40	FGGB	
O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1cccnc1	6242736	FGTDIFPLHKZEKP-GZIVZEMBSA-N	371.759	3.220	50	40	FGGB	
COc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12	4121318	NRGPXSMMHBISAM-UHFFFAOYSA-N	367.386	3.168	50	40	FGGB	
Cc1ccccc1/C=N\NC(=O)CCCC(=O)N/N=C/c1ccccc1C	4962638	KKMBGLQXEFHLJK-OQRYGUKSSA-N	364.449	3.074	50	40	FGGB	
Cn1cccc1/C=C(\C#N)c1nc2ccc(Br)cc2c(=O)[nH]1	25582594	PNJMVALAQBKYTD-JXMROGBWSA-N	355.195	3.088	50	40	FGGB	
O=C(CSc1ccccc1)NNC(=O)c1ccc(Br)cc1	3417338	NVDRJOAJZFVOLW-UHFFFAOYSA-N	365.252	3.002	50	40	FGGB	
O=C(OCc1ccccc1)N(C[C@H]1CCCCN1C(=O)CCl)C1CC1	79412133	OVVRWZFUIMYDBH-QGZVFWFLSA-N	364.873	3.408	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)cc(Br)c1O	3195591	PDKLGKCXVHECLB-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1cccs1	1022116	XUIAUWYNTVXBGK-QMMMGPOBSA-N	359.234	3.283	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(Cl)nc1)c1ccc(NC(=O)NC2CC2)cc1	44006370	MSUWIQNYZYBHBD-FOKLQQMPSA-N	371.828	3.173	50	40	FGGB	
Cc1nn(-c2ccccc2Cl)c2nc(-c3ccco3)cc(C(=O)NN)c12	3351282	GSWAHFWDMUBIHX-UHFFFAOYSA-N	367.796	3.246	50	40	FGGB	
O=C(NNC(=O)c1cccnc1Sc1ccccc1)c1ccccc1O	12729252	YUHVEXCZCCBUJF-UHFFFAOYSA-N	365.414	3.013	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(O)cc1	98087136	COWVWUSDUOSHDE-YDZHTSKRSA-N	371.396	3.011	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@@H]2C(C)=NN3c2ccccc2)cc1	1236713	YAZVEATZEAEAHG-SBHAEUEKSA-N	360.417	3.341	50	40	FGGB	
O=C(CCCOc1ccc(Cl)cc1Cl)NNC(=O)c1ccco1	4656968	HRELCNBKDFGXHQ-UHFFFAOYSA-N	357.193	3.207	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)N2CCCC2)cc(Br)c1O	43079537	VMPMHYRPGMGCSW-KPKJPENVSA-N	365.227	3.083	50	40	FGGB	
CC(C)(O)[C@@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195815618	VQJHELAMTAQHAQ-HXUWFJFHSA-N	372.581	3.085	50	40	FGGB	
CN1C(=O)/C(=N/NC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21	4737861	SDBGPJRCMZHWOO-BSYVCWPDSA-N	355.397	3.464	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2ccco2)cc1	58895666	UPEOMDGLVWDHDE-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
CC1CCN(C(=O)[C@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1	100834653	BWDCQGOQXIOZPI-ZLIFDBKOSA-N	356.304	3.404	50	40	FGGB	
COC(=O)Oc1ccc(/C=N/NC(=O)CSc2ccccc2)cc1OC	408860111	SFYARQJHPXUOQD-YBFXNURJSA-N	374.418	3.083	50	40	FGGB	
Cc1ccc(C(=O)COC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)cc1C	6405004	IKGRYMMWEIJDHN-IUXPMGMMSA-N	363.369	3.365	50	40	FGGB	
CCc1ccc(OCC(=O)NNC(=O)/C=C/c2ccccc2Cl)cc1	6555775	LUFGRPTUMGHNRK-FMIVXFBMSA-N	358.825	3.142	50	40	FGGB	
N#C/C(=C\c1ccccc1F)C(=O)Nc1sc2c(c1C(N)=O)CCCC2	1242523	QXDNTLLLOBCUPA-FMIVXFBMSA-N	369.421	3.411	50	40	FGGB	
CCOC(=O)C1=C[C@@H]2C=C[C@H]1[C@H]1[C@@H](Br)[C@@H](Br)[C@H]21	101048251	OBJRCCAIJCYYQE-BIQDVTPLSA-N	362.061	3.065	50	40	FGGB	
NNC(=O)c1cc(-c2cccs2)nn1-c1cccc(C(F)(F)F)c1	3308174	GDDOUJIDVIRAMC-UHFFFAOYSA-N	352.341	3.223	50	40	FGGB	
Cc1ccc(C(=O)N[C@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1	5125429	BPOPPPVXARELIW-HNNXBMFYSA-N	351.233	3.285	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)cc1	408711829	MRWFTFZAHSKKEJ-DEDYPNTBSA-N	371.393	3.085	50	40	FGGB	
C#CCOc1ccccc1/C=N\NC(=O)c1ccc(OCC)c(OCC)c1	409316722	MBVZXCPFGQXKBX-JCMHNJIXSA-N	366.417	3.260	50	40	FGGB	
CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)c(Cl)c1	409020847	URTAQPSDWLTQCS-KEBDBYFISA-N	359.813	3.136	50	40	FGGB	
O=C(N/N=C\c1ccc2c(c1)CCC2)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	31719669	HFQGOLQLZHSIEB-ZDLGFXPLSA-N	369.337	3.147	50	40	FGGB	
COc1ccc(/C=C2/C(=N)N(c3ccc(C)cc3)C(=O)C(C#N)=C2N)cc1	226761461	SVPGPZSGLWRXJS-PUYZJMEQSA-N	358.401	3.147	50	40	FGGB	
CCc1[nH]nc2c1[C@@H](c1cc(Br)cs1)C(C#N)=C(N)O2	5646171	ZJIVUSYTOBGAGS-SNVBAGLBSA-N	351.229	3.014	50	40	FGGB	
CCCCC(O)(CCCC)C(=O)N/N=C/c1ccc(OC)c(OC)c1	4976865	CXQJFRYYWULGJF-XSFVSMFZSA-N	350.459	3.265	50	40	FGGB	
CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NNC(=O)c1ccccc1	103918296	NVMDPSQYRYOXSA-CYVLTUHYSA-N	362.433	3.398	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1	408772931	NKJXOCQOSZBFCG-WQLSENKSSA-N	355.350	3.295	50	40	FGGB	
CCCc1ccc(OCC(=O)N/N=C\c2cc(OC)ccc2OC)cc1	5247070	YMFUXQGVACTRFO-BKUYFWCQSA-N	356.422	3.185	50	40	FGGB	
N#C/C(=C(/O)CCN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1	103545375	FFJQSXAPKRNODO-VKAVYKQESA-N	358.357	3.042	50	40	FGGB	
CCCCC(=O)N/N=C(\C)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	101517785	GSCLLJJYQQZBDQ-SCBQMXHTSA-N	369.465	3.397	50	40	FGGB	
COc1cc(OC)cc(C(=O)NNC(=O)c2cc3c(s2)CCCCC3)c1	9911293	QOFYIZLIEANCBY-UHFFFAOYSA-N	374.462	3.109	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(OC)c1	409198211	ZXZCTDCZSXZSAW-SYVPYPDPSA-N	364.449	3.299	50	40	FGGB	
CC(C)N(C(=O)OCc1ccccc1)C1CCN(C(=O)CCl)CC1	79412026	NIJMVKCPVLJQIB-UHFFFAOYSA-N	352.862	3.263	50	40	FGGB	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)c1ccc(OC(C)C)cc1	40142931	KUKYYHFVJNXRPS-UHFFFAOYSA-N	372.469	3.117	50	40	FGGB	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C/C(=N/NC(N)=O)c1ccccc1	4267083	SQVJKDBXGKCJLD-IXFLDJPGSA-N	359.470	3.453	50	40	FGGB	
O=C(N/N=C/c1cc2c(cc1Br)OCO2)C1[C@H]2CCCC[C@@H]12	18128352	INXKYSNBJDQHCN-OAVPUNOASA-N	365.227	3.064	50	40	FGGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	3088805	OSWBCDBWTYYPED-CNRHGSOZSA-N	356.809	3.270	50	40	FGGB	
O=C(NNC(=O)c1ccccc1F)c1ccc(OCc2ccccc2)cc1	2658033	FBONEQJISHQQMY-UHFFFAOYSA-N	364.376	3.480	50	40	FGGB	
CC1=C(C)/C(=N\S(=O)(=O)c2ccc(C)cc2)[C@@H](Cl)[C@H](Cl)C1=O	103726742	XQLJRXBBFNZCLA-OMXZIVNTSA-N	360.262	3.259	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1cccc(Cl)c1	3273765	WQRKFYPWVWWXNC-MDWZMJQESA-N	373.796	3.148	50	40	FGGB	
C[C@@H](NC(=O)NNC(=O)c1ccccc1)c1ccc(Br)cc1	45127559	LGRUUXSAHWGSAF-LLVKDONJSA-N	362.227	3.154	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)OC)ccc1OCc1ccc([N+](=O)[O-])cc1	4525995	OOJAZNNFJOVWNZ-YBFXNURJSA-N	373.365	3.262	50	40	FGGB	
COc1ccc(/C=C/C(=O)NNC(=O)Cc2cccc3ccccc23)cc1	4700101	CDEVXVCEHHMNBY-SDNWHVSQSA-N	360.413	3.252	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)Cc2csc(-c3ccccc3)n2)cc1	6788749	DRHQALIZICANBS-UHFFFAOYSA-N	351.431	3.122	50	40	FGGB	
O=C1OC(=O)[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]12	104252853	FBWNJSWBLCJXRF-DGSCNEQVSA-N	355.187	3.100	50	40	FGGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCc2ccccc21	3241132	YKLFIRZEAXZHMG-LFIBNONCSA-N	366.804	3.379	50	40	FGGB	
CC1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)[C@H]2Br)C3(C)C)CC1	2140286	BWDCQGOQXIOZPI-OAUYIBNBSA-N	356.304	3.404	50	40	FGGB	biogenic
CC(C)COc1ccc(C(=O)NNC(=S)NCc2ccccc2)cc1	2367323	WXNQZZOKMCGBDQ-UHFFFAOYSA-N	357.479	3.031	50	40	FGGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)C(=O)O	4509016	PAHNWZWFORVWPI-KOUDTOEKSA-N	362.385	3.456	50	40	FGGB	
COC(=O)/C(C#N)=C1/S[C@H](Cc2ccccc2)C(=O)N1c1ccccc1	2300952	RGQVWULTOMPUAG-FDCFBWIESA-N	364.426	3.286	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1	825391	SJEUWVQQMHEPBB-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
O=C(CC(=O)N/N=C\c1cccc(Cl)c1Cl)NCc1ccccc1	33928092	WZOWPKQYMXVCSW-NHDPSOOVSA-N	364.232	3.150	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)c1ccccc1	26894912	PMDWOTVHKWSEMU-UHFFFAOYSA-N	364.796	3.226	50	40	FGGB	
Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCOCC2)cc1	4091515	ZNJWQODTMBPIPK-HZHRSRAPSA-N	374.444	3.144	50	40	FGGB	
Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1	408669630	RQUVLZXBAZARPT-AWEZNQCLSA-N	354.362	3.170	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(OC)cc2)cc1	5311766	KGJSLQZEFFOFMC-KGENOOAVSA-N	355.438	3.071	50	40	FGGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1/C(N)=N/OC(=O)CCl	4280682	RVSHSRSBDVNYDM-UHFFFAOYSA-N	362.600	3.359	50	40	FGGB	
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1F	32578383	FOIPIQYTZTZXBH-UFFVCSGVSA-N	364.804	3.279	50	40	FGGB	
COc1cc(C(=O)NNC(=O)c2ccccc2)ccc1OCCC(C)C	8411570	YKDOSCSHNKJILC-UHFFFAOYSA-N	356.422	3.195	50	40	FGGB	
COc1ccc2cc(/C=N/NC(=O)[C@H]3C[C@@H]3c3ccccc3)c(O)nc2c1	9292069	VFTWKTWYDGHCSJ-FYNNQVSNSA-N	361.401	3.203	50	40	FGGB	
C#CCOc1cccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)c1	409322493	LNESDCIXGNGUSY-JCMHNJIXSA-N	364.401	3.036	50	40	FGGB	
CC(C)/C=C(\C#N)C(=O)N1CC[C@]2(CCCO2)[C@@H](OCc2ccccc2)C1	585288903	BPARNFPTLPGHHP-IMDKNKCXSA-N	368.477	3.459	50	40	FGGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1OC	831214	IZYNMHPSMOEYRB-MQMKENTISA-N	358.463	3.476	50	40	FGGB	
O=C(COc1cccc(Br)c1)N/N=C/c1c[nH]c2ccccc12	863182	XOZVEZROAWDHEW-KEBDBYFISA-N	372.222	3.460	50	40	FGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1O)c1cccs1	5771347	HFHRDVZXDSGOGG-UDWIEESQSA-N	365.414	3.470	50	40	FGGB	
COC(=O)c1ccc(C(=O)NNc2nc3c(C)c(C)ccc3s2)cc1	4121433	SWRUYDKHOKTPDI-UHFFFAOYSA-N	355.419	3.457	50	40	FGGB	
CCOC(=O)/C(C#N)=C(\O)c1ccc(NC(=O)c2cccc(OC)c2)cc1	102042119	ANPNDHYDGQYKHA-ZCXUNETKSA-N	366.373	3.303	50	40	FGGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2cccc(C)c2)c2ccccc21	6630326	GAWLGFYCGVLSDP-WSDLNYQXSA-N	363.417	3.277	50	40	FGGB	
O=C(NNC(=S)Nc1ccc(F)cc1)c1cc2ccccc2cc1O	672071	LZDIJVPTHXNMRB-UHFFFAOYSA-N	355.394	3.316	50	40	FGGB	
COc1ccc(/C(N=C=S)=N\CS(=O)(=O)c2ccc(C)cc2)cc1	100321017	BYZBVXJZQYILJV-HTXNQAPBSA-N	360.460	3.284	50	40	FGGB	
O=C(N/N=C1\[C@@H]2[C@H]3C[C@@H]4[C@@H]2[C@@]2(Br)C[C@H]4[C@H]3[C@H]12)Nc1ccccc1	104202592	HCFSRGORWIYYSO-UUNVPSNDSA-N	372.266	3.459	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])s1	1496588	KTDSZEWFIPIJRX-OMCISZLKSA-N	374.205	3.492	50	40	FGGB	
C#CCOc1ccccc1/C=C(\C#N)c1nc(N)nc(Nc2ccccc2)n1	11296835	ZDGAFVQMJDXNDE-DTQAZKPQSA-N	368.400	3.274	50	40	FGGB	
O=C(NNC(=O)c1cc2ccccc2n1Cc1ccccc1)c1ccccn1	4663700	QXUGODDGCLPOPP-UHFFFAOYSA-N	370.412	3.159	50	40	FGGB	
COCc1n[nH]c2c1[C@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	4730401	OLHMRBUXZJJUAJ-LLVKDONJSA-N	351.193	3.081	50	40	FGGB	
CC(/C=N\NC(=O)C(=O)N/N=C/C(C)=C/c1ccccc1)=C/c1ccccc1	31636939	DDWMYLDFCXXFJT-MCDOIJETSA-N	374.444	3.397	50	40	FGGB	
CS(=O)(=O)[C@@H](Br)C(=O)c1ccc(-c2ccccc2)cc1	96517830	FRGYSFUCFBJBRF-OAHLLOKOSA-N	353.237	3.302	50	40	FGGB	
O=C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccsc1	17399830	VCOQJKXPQCNXRW-UHFFFAOYSA-N	374.425	3.433	50	40	FGGB	
O=C(Cc1ccccc1)Nc1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1	6338458	AHNORGAQGMLGBQ-HZHRSRAPSA-N	373.412	3.337	50	40	FGGB	
C/C(CC(=O)Nc1cccc(Cl)c1C)=N\NC(=O)c1ccccc1O	4402067	FNBLWIFSHFDCRV-SRZZPIQSSA-N	359.813	3.489	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(F)cc2F)CC1	100927986	IJPSKCLYVSRGSK-UHFFFAOYSA-N	363.320	3.194	50	40	FGGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1OC	2726725	HZTWPVLZKNZFQO-NTEUORMPSA-N	367.361	3.466	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCCC2)o1)c1cccc(Br)c1	59138208	OLCGLQGXLNWERR-WOJGMQOQSA-N	362.227	3.406	50	40	FGGB	
COc1cc(C=C(C#N)C#N)ccc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C	8777114	DOQFXLARIYPOFQ-GJZGRUSLSA-N	353.422	3.294	50	40	FGGB	
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)C[C@H]1C=CCC1	14181762	VBOPLXCNZXUPHF-SFHVURJKSA-N	364.445	3.160	50	40	FGGB	
COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)ccc1OC(C)=O	19827375	DTTSXAFROPMBQR-IBGZPJMESA-N	352.390	3.112	50	40	FGGB	
CC(C)(C)c1cc(/C=N\NC(=O)c2ccc(O)nn2)cc(C(C)(C)C)c1O	36476340	GCYNBYAPGVIDPK-NHDPSOOVSA-N	370.453	3.247	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1O	33341024	BCMYWMFRXWZXAZ-ODLFYWEKSA-N	351.318	3.324	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	83311308	UDKCHJGCAWJIHW-LSCVHKIXSA-N	368.176	3.431	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	16216761	RNLKZYKAFREKMM-ZSOIEALJSA-N	371.780	3.480	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CCCc2c[nH]c3ccccc23)c1O	1031587	KPFDZTNXKWCOKV-LPYMAVHISA-N	351.406	3.355	50	40	FGGB	biogenic
COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1c(F)cccc1Cl	2627953	IRCYKTWCFKBADJ-UHFFFAOYSA-N	371.195	3.145	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccncc1	4974030	LYNRPRUCUGJFKJ-UFFVCSGVSA-N	369.764	3.457	50	40	FGGB	
C[C@]1(CI)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Br	108380218	RRHSBISFIQTULS-XFFJFQIUSA-N	357.029	3.190	50	40	FGGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@@H]1c1ccc(Cl)cc1Cl	57508965	ZXEYEEWOLDUWCK-GFCCVEGCSA-N	363.628	3.403	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OC)c2)cc1OC	409321318	FUKHTZCOKDEHBI-BKUYFWCQSA-N	370.405	3.041	50	40	FGGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2cccnc2)sc(C)c1C	5016822	ACQHVSYUYYARCP-ZSOIEALJSA-N	355.419	3.482	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C)cc2)CC(=O)N1	8969951	WOLXTTITSVLYKP-OAHLLOKOSA-N	358.463	3.410	50	40	FGGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccncc1	17074855	WCZVOOKZHXBZFI-GIJQJNRQSA-N	364.268	3.228	50	40	FGGB	
O=C(NC[C@@H]1CCCO1)N/N=C1/CCCc2nc(-c3ccccc3)sc21	84564827	ORKCDSHAAWQWRG-DJFNHCPNSA-N	370.478	3.329	50	40	FGGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)NCc1ccccc1	2649105	UHMASZMQWSSRJS-RIYZIHGNSA-N	357.207	3.378	50	40	FGGB	
O=C(N[C@H](Cc1ccccc1)C(=O)O)c1ccc(CBr)cc1	1707459	XALWWIIKVOSJSW-OAHLLOKOSA-N	362.223	3.007	50	40	FGGB	
COc1ccc2c(Cl)c(C(=O)NNC(=O)c3ccncc3)sc2c1	674961	CGUIOHAPHDQLGK-UHFFFAOYSA-N	361.810	3.033	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1	59474732	KRGVEYCKEXSMRS-BFTVFPACSA-N	369.852	3.406	50	40	FGGB	
COc1ccc(CC(=O)N/N=C(/C)c2ccc(NC(=O)C3CC3)cc2)cc1	6373792	HNQGGXIETWOGBI-UCQKPKSFSA-N	365.433	3.127	50	40	FGGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NC(N)=O	409236296	DIFXMIKSBWJHTI-ZROIWOOFSA-N	355.781	3.021	50	40	FGGB	
CCOc1c(Br)cc(/C=N/NC(=O)c2ccco2)cc1OC	8043665	CLABCJGOTZQIGX-RQZCQDPDSA-N	367.199	3.213	50	40	FGGB	
O=C(O)c1ccnc([C@H]2CCCC/C2=N\NC(=O)c2ccc(F)cc2)c1	16778487	LEPXSNHWBARZHP-QIIGAIICSA-N	355.369	3.363	50	40	FGGB	
CCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	1429050	JEAUOZFRYGWADB-XDHOZWIPSA-N	354.366	3.097	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1ccccc1Cl)c1cccs1	36652401	RWWTXHRIJXJISO-UHFFFAOYSA-N	370.825	3.287	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccc(C)cc2)cc1	8684211	UTBAJMATHYZKEM-SJORKVTESA-N	355.463	3.125	50	40	FGGB	
COc1cc(/C=N/NC(C)=O)cc(Cl)c1OCc1ccccc1C#N	409010380	DORVSPASJRTCTR-UFFVCSGVSA-N	357.797	3.269	50	40	FGGB	
CCOc1ccc(CCCC(=O)N/N=C/c2cccc(OC)c2O)cc1	5873015	UOZXNMSYAQPUGZ-KGENOOAVSA-N	356.422	3.273	50	40	FGGB	
C/C(=N\NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc2ccccc2c1	13784925	COHHVXVRNNBNOM-OEAKJJBVSA-N	358.405	3.048	50	40	FGGB	
COc1ccc([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)cc1	959659	GZSAQXRFAVSGQL-QGZVFWFLSA-N	351.431	3.304	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2sc(C)c3C(=O)OC)cc1	1428103	UCJMATVRFJQAIZ-HNNXBMFYSA-N	370.430	3.460	50	40	FGGB	
C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(F)cc1	4677691	IWKJTVAVWABXCE-RGVLZGJSSA-N	367.340	3.278	50	40	FGGB	
C[C@]1(C(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)CC1(Cl)Cl	6694116	CKTSTFLQYABRPE-IERUQDSDSA-N	355.200	3.250	50	40	FGGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1	16901487	ILGXVVWNWQYALF-SFQUDFHCSA-N	362.385	3.124	50	40	FGGB	
COc1cccc(C[C@@H](Br)CBr)c1OC(C)=O	97947755	LOOAEWOHNBNQTJ-SNVBAGLBSA-N	366.049	3.321	50	40	FGGB	
COc1cc(/C=N/NC(=O)CCSc2ccccc2)cc(OC)c1OC	5205759	RDVPBHYAMXLPJV-DEDYPNTBSA-N	374.462	3.345	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1	5709100	HAKHZZRKQRDJRD-FOWTUZBSSA-N	351.358	3.384	50	40	FGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)nc(Cl)c1	2555880	YNEHKGMMNCYIIR-UBKPWBPPSA-N	353.165	3.273	50	40	FGGB	
CCOC(=O)/C(CC(=O)c1ccc(C)cc1)=N\NC(=O)c1cccc(C)c1	4481452	MGGYBBKTOBFUNP-PYCFMQQDSA-N	366.417	3.225	50	40	FGGB	
Cc1cc2c(c(=O)n1C)[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	2213342	ZHMMQAQEYGVJKG-ZDUSSCGKSA-N	362.216	3.219	50	40	FGGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccnc1	59302482	KUVDQEZJFZPOAP-UDWIEESQSA-N	369.222	3.399	50	40	FGGB	
O=C(/C=C/c1cnc(-c2cccc([N+](=O)[O-])c2)nc1)NNc1ccccc1	408535032	XHNKAHKUKHLHOG-MDZDMXLPSA-N	361.361	3.208	50	40	FGGB	
CCOc1ccc(C(=O)N/N=C(\C)c2ccc(OC)c([N+](=O)[O-])c2)cc1	20764263	VGIGCPSGJCBDED-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)CC(=O)N1	9363654	SZCHABIBCGJUGN-CYBMUJFWSA-N	362.426	3.241	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)cc1	408711833	MZMMQJKFGYBIQK-ODLFYWEKSA-N	361.785	3.340	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c(C)c1	408674419	ZKAOIENVWXUKEE-AWEZNQCLSA-N	354.362	3.170	50	40	FGGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408810060	LLSMMIHSORWZST-GHRIWEEISA-N	360.369	3.031	50	40	FGGB	
Cc1cc(C)c(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c(Cl)c1	216805275	WOXUVYFSXGAHRP-UHFFFAOYSA-N	371.824	3.234	50	40	FGGB	
CC(=O)Nc1sc(C(=O)N/N=C/c2ccc(Cl)cc2)c(C)c1C#N	33632950	XSZDPNNSIUYFNL-UFWORHAWSA-N	360.826	3.304	50	40	FGGB	
C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)c1cccc(Cl)c1	101158773	QGWDBDBGKDWVGN-RGVLZGJSSA-N	374.784	3.383	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1O	694764	CLNSGTGLPCYCSS-CIAFOILYSA-N	350.374	3.414	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CC2(C)SCCS2)cc1OC	6964068	SOYPRFXOHULTHD-GZTJUZNOSA-N	354.497	3.130	50	40	FGGB	
Cc1cccc(NC(=O)[C@@H](C)SC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)c1	7581744	DFTVJKQPWYDJCF-OCCSQVGLSA-N	368.462	3.086	50	40	FGGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	1319395	GASDVVCVEXJMQD-FVUPAENESA-N	354.406	3.458	50	40	FGGB	
CCC1=C(C(=O)OC)[C@@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O1	4652858	MNCHJGRCDFQPER-ZDUSSCGKSA-N	352.312	3.350	50	40	FGGB	
COc1cc(/C=N/NC(N)=O)ccc1OCCCOc1cc(C)ccc1C	9434657	SLVGDORRCSCBBY-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	20248396	FMYZZQDTGNFLDV-CPNJWEJPSA-N	373.434	3.377	50	40	FGGB	
O=C(COc1ccccc1Cl)NNC(=O)c1ccc2ccccc2c1O	5777208	JODQJPRWFAWXOH-UHFFFAOYSA-N	370.792	3.039	50	40	FGGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccnc2)sc(C)c1C	2708557	ACQHVSYUYYARCP-RIYZIHGNSA-N	355.419	3.482	50	40	FGGB	
O=C(CCn1cnc2ccccc21)N/N=C\c1c(O)ccc2ccccc12	12465662	SQPJQVNNXUXWLU-QRVIBDJDSA-N	358.401	3.436	50	40	FGGB	
O=S(=O)(CCCCBr)c1cccc(Br)c1	55306558	RMZOAZSASNTFTN-UHFFFAOYSA-N	356.079	3.398	50	40	FGGB	
C[C@@]1(CBr)CN=C(N2CCN(c3ccccc3)CC2)S1	1440436	FUCDIGWVHZSRNO-OAHLLOKOSA-N	354.317	3.065	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(F)cc1	59459579	ZXMQSFRUONWTLQ-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
O=C(NNc1ccccc1Br)C(=O)n1ccc2ccccc21	2279217	BWRIKALSRAVBQP-UHFFFAOYSA-N	358.195	3.187	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)c1O	12859240	GBTZSWFXIORXGH-SRZZPIQSSA-N	356.422	3.245	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2c(C)cccc2C)cc(Cl)c1O	5068863	UCLAAUJJRGQCHH-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)cc(Br)c2O)cn1	4498820	FLSPOHPWJHAMFW-WSVATBPTSA-N	368.618	3.275	50	40	FGGB	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)cc1	5442970	DZFPPIPJPSXMSE-KRWDZBQOSA-N	374.448	3.054	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(OCC)cc2)CC(=O)N1	9088659	OATJYIICNPERRX-HNNXBMFYSA-N	374.462	3.110	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)cc2OC)cc1	409229875	VQGPCPWEVWTHIS-PXLXIMEGSA-N	367.449	3.458	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1[N+](=O)[O-]	408964934	IPOWRQFPALIJLG-GIJQJNRQSA-N	368.305	3.322	50	40	FGGB	
O=C(N/N=C/c1cccc(OC(=O)c2cccs2)c1)c1cccnc1	3101635	UASLZRXACDJIOH-RGVLZGJSSA-N	351.387	3.126	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1OCC	20195202	CWSRWJNUXGWURQ-HZHRSRAPSA-N	364.445	3.407	50	40	FGGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4953763	ONQBOELOLHTTEU-GXDHUFHOSA-N	351.318	3.066	50	40	FGGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cc(Br)ccc2O)c1	409366377	URLWGOUTPDOOHR-GRSHGNNSSA-N	361.239	3.464	50	40	FGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1cccc(OC)c1)c1ccccc1	408982882	ZPAUQSIKDXUBFP-SXZORUHJSA-N	369.421	3.023	50	40	FGGB	
O=C(NNC(=S)NC(=O)c1cc(Cl)ccc1Cl)c1cccs1	32118620	XESKGKIVXMGWGH-UHFFFAOYSA-N	374.274	3.004	50	40	FGGB	
COc1ccc(NS(=O)(=O)c2ccc(CBr)cc2)cc1	88246510	ZOXZMOBLEVXCPD-UHFFFAOYSA-N	356.241	3.391	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	408897796	UBFNPYDPBHLMGX-XYOKQWHBSA-N	368.305	3.057	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(C)cc2)cc1Cl	408527405	FPQYVMQTFOABRQ-UFFVCSGVSA-N	361.829	3.228	50	40	FGGB	
C[C@H](I)C(=O)Nc1ccc(Br)cc1	72226327	RKROXPRGDAZGSX-LURJTMIESA-N	353.985	3.211	50	40	FGGB	
COc1cccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1O	97551125	JKRZSCQGSNCRTB-NVMNQCDNSA-N	371.374	3.288	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cccc(Cn3nc(C)cc3C)c2)cc1	6189261	XJZYQXCPUAMRCB-LPYMAVHISA-N	362.433	3.321	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)cc1	5377422	WMUPVCARENZDLE-HZHRSRAPSA-N	373.412	3.493	50	40	FGGB	
COc1ccc(OC)c([C@@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)c1	818271	WQCILLDCKGNFCX-QGZVFWFLSA-N	367.430	3.004	50	40	FGGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@@H]2CCCc3ccccc32)cc1	24835723	CBYWUYJDVPLSMM-LJQANCHMSA-N	352.434	3.355	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CCSc2ccccc2)cc1[N+](=O)[O-]	59474293	SKCOLDDTUNPXGN-LDADJPATSA-N	359.407	3.236	50	40	FGGB	
O=C(N/N=C/C(Br)=C\c1ccccc1)c1cc(C2CC2)[nH]n1	33322110	HRMHTTWDTAQSBJ-FZYCZGTGSA-N	359.227	3.439	50	40	FGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)c1	5408862	NAXNXACALBXYNN-AWEZNQCLSA-N	350.403	3.365	50	40	FGGB	
C[C@H](CC(=O)NNC(=O)c1ccc(Br)cc1)c1ccccc1	14093757	FQZUBGIUUBQFMY-GFCCVEGCSA-N	361.239	3.404	50	40	FGGB	
C/C(=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1	5381700	VTTWPYVNXUGTEV-RQZCQDPDSA-N	362.729	3.310	50	40	FGGB	
C#CCn1cc(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc21	6348178	AHUJAHHATZVFBP-XDHOZWIPSA-N	357.504	3.311	50	40	FGGB	
Cc1nc(N)sc1C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1	32233367	QRAJGTOQZRPRMY-NHDPSOOVSA-N	366.446	3.377	50	40	FGGB	
O=C(CNc1cccc(N2CCCC2=O)c1)N/N=C/C=C/c1ccccc1	2801529	UMIADTZMRGXLKQ-GKZFOPAHSA-N	362.433	3.041	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@H](C)C(=O)O)cc2)c1	59678435	GRWAIAZVEOWVSP-NWFCWYBLSA-N	366.373	3.093	50	40	FGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(C#Cc3ccccc3)cc2)cc1	12614072	VQJXOAQAGKZTDK-UHFFFAOYSA-N	370.408	3.170	50	40	FGGB	
C=CCOc1ccc(/C(C)=N\NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	408737143	LCUBZMLRICCIMS-ZHZULCJRSA-N	353.378	3.243	50	40	FGGB	
CSc1ccc(N2C[C@H](C(=O)NNc3ccc(F)cc3)CC2=O)cc1	40051318	HYJCJZPNYOOEAA-GFCCVEGCSA-N	359.426	3.044	50	40	FGGB	
O=C/C(=C\NNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2o1	5949155	IBMZUCWKOWDQMQ-LFIBNONCSA-N	365.433	3.205	50	40	FGGB	
COCCn1c(C)cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1C	3445340	ONTUBLJKGQAMSM-LPYMAVHISA-N	365.433	3.374	50	40	FGGB	
CC(C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@@H](Cl)[C@@H]1Cl	226348533	AZMWZRYVVDPMLS-NRUUGDAUSA-N	363.628	3.147	50	40	FGGB	
O=C(N/N=C\c1ccc(OC(=O)c2ccco2)cc1)c1ccc(F)cc1	30822063	VYUXILBNSRCEAJ-MTJSOVHGSA-N	352.321	3.402	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OCC)c1	658796	LMBSACZNTNQBMF-GOSISDBHSA-N	354.406	3.299	50	40	FGGB	
CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)c2cccc(C)c2O)cc1	4904242	FJWQQSCQQZGDEU-HYARGMPZSA-N	369.421	3.234	50	40	FGGB	
COc1ccc(-c2cc(C(=O)NN)c3c(C)nn(-c4ccccc4)c3n2)cc1	3252528	RAJBPHPBEDTSIG-UHFFFAOYSA-N	373.416	3.008	50	40	FGGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	40961676	UOCYASNEUIXBEA-CAOOACKPSA-N	365.798	3.196	50	40	FGGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	13424476	WDIQUUUDPFRZBM-DHDCSXOGSA-N	363.329	3.077	50	40	FGGB	
CCCOc1ccc(C(=O)N/N=C\c2ccc(O)c(OCC)c2)cc1OC	409326181	HVOTWRPGWFVARB-BKUYFWCQSA-N	372.421	3.352	50	40	FGGB	
CC(C)(C)OC(=O)NNC(=O)C1C[C@@H]2CC[C@H](C1)C21SCCS1	14235924	WJYYTGODDYERMF-YOGCLGLASA-N	358.529	3.155	50	40	FGGB	
COCc1n[nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C(C#N)=C(N)O2	4730400	OLHMRBUXZJJUAJ-NSHDSACASA-N	351.193	3.081	50	40	FGGB	
O=C(N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccco1	5338183	DOWWLGJEDDQQAO-VXLYETTFSA-N	352.306	3.139	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc(Cl)cc1	2622699	BZUQNYUYLRQSPZ-UHFFFAOYSA-N	356.731	3.363	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)c1	58840193	GSEVXNSFCWFXBY-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
C=CCOc1cccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)c1	409318675	WYYOIQQYLGDTGQ-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	408939896	NFXJVOHYJMYRJX-OVMKCGGTSA-N	374.872	3.112	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(OC)c1OC	83314771	HIHVILMKRSXFPO-JAIQZWGSSA-N	354.362	3.223	50	40	FGGB	
O=P(CCN1CCCN2CCC[C@H]2C1)(c1ccccc1)c1ccccc1	252507114	YLXFKRRUASDZFH-FQEVSTJZSA-N	368.461	3.171	50	40	FGGB	
O=C(NNC(=S)NC(=O)c1cc2ccccc2o1)c1ccc(Cl)cc1	2265253	BZFKNRJOWGOSME-UHFFFAOYSA-N	373.821	3.036	50	40	FGGB	
O=C(NNc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	36820639	UBAVJJFTGBHLET-OAHLLOKOSA-N	369.852	3.325	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1cccc([N+](=O)[O-])c1	4735226	NDOTWNFRPJFPCV-LICLKQGHSA-N	362.183	3.050	50	40	FGGB	
C/C(=N\NC(=O)CSc1nnc(-c2ccccc2)n1C)c1ccccc1	4897895	QMDFDGVDUDSORM-XSFVSMFZSA-N	365.462	3.115	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-]	408961393	BXXJWWCXWQUJKG-AWQFTUOYSA-N	367.283	3.386	50	40	FGGB	
COc1cc(C)c(/C=N\NC(=O)COc2ccccc2Cl)cc1OC	33531048	ONJXIKVOQUIYEC-JMIUGGIZSA-N	362.813	3.195	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc([N+](=O)[O-])c1O	35470836	SXPOZIUEDDSNDN-VGOFMYFVSA-N	367.361	3.472	50	40	FGGB	
CC1(C)COc2ccc(/C=C(\C#N)C(=O)NCc3cccnc3)cc2OC1	225369602	HHSYPOLQCQVCRJ-CAOOACKPSA-N	363.417	3.102	50	40	FGGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccccc1	6133329	AKJVDQMMJDIJGQ-BSYVCWPDSA-N	355.397	3.368	50	40	FGGB	
N#C[C@@H]1[C@@H](Br)[C@@H](O)c2ccccc2N1C(=O)c1ccccc1	977092	PKNLRSBYSSNFHC-OAGGEKHMSA-N	357.207	3.036	50	40	FGGB	
COC(=O)CC[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104050253	MMDXLBCQEQFLMZ-UHFFFAOYSA-N	350.398	3.276	50	40	FGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCC(=O)Nc2ccccc2)cc1	2134920	TWWPFBMUFKYUBF-UHFFFAOYSA-N	367.449	3.164	50	40	FGGB	
COc1cccc(-c2[nH]nc3c2[C@H](c2cccc(F)c2)C(C#N)=C(N)O3)c1	5161548	YSTDTUXRUFEEBQ-MRXNPFEDSA-N	362.364	3.443	50	40	FGGB	
COc1cc(C(=O)NNc2ccc3ccccc3n2)cc(OC)c1OC	5335052	WMWPAFACTZZRQQ-UHFFFAOYSA-N	353.378	3.018	50	40	FGGB	
CCOc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2cccs2)cc1	19810099	UBAUHGDMUHOVMI-OAHLLOKOSA-N	357.460	3.447	50	40	FGGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCC(=O)O)cc2)cc1	8344557	JRBPYWJWGOJBQE-CIAFOILYSA-N	354.406	3.211	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)c(OC)c1	1434341	XDVXDDKYTMREJL-YDZHTSKRSA-N	363.417	3.419	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1	1431140	WCPSIRRPSBZWNJ-YDZHTSKRSA-N	361.401	3.189	50	40	FGGB	
N#CC1=C(N)NC(SCC(=O)c2ccccc2)=C(C#N)C12CCCC2	2334244	VURXCZVXMSCVOT-UHFFFAOYSA-N	350.447	3.195	50	40	FGGB	
COC(=O)c1nc(NNC(=O)c2ccccc2)sc1-c1ccccc1	2433101	YLFQJNBXHGJJAW-UHFFFAOYSA-N	353.403	3.354	50	40	FGGB	
CN(C)C(C/C=N/Nc1ncc(C(F)(F)F)cc1Cl)=C(C#N)C#N	4090996	WJWIYHHZDBVMGJ-LKNXVUQUSA-N	356.739	3.404	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC(N(C(=O)CCl)C2CC2)CC1	79392765	TVOVFYYIZOOJRH-UHFFFAOYSA-N	350.846	3.017	50	40	FGGB	
C=CCSc1nnnn1-c1ccc(OC(=O)C(C)(C)CCl)cc1	2144565	ZGWQIRGFKKXJQI-UHFFFAOYSA-N	352.847	3.111	50	40	FGGB	
N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)NCCc1c[nH]c2ccccc12	4860346	JAXTYXZVQMPHPD-SXGWCWSVSA-N	359.385	3.162	50	40	FGGB	
COc1ccccc1NC(=S)NNC(=O)c1ccccc1-n1cccc1	2794511	KFMBCWKVRQRUJX-UHFFFAOYSA-N	366.446	3.117	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])cc1	2774316	FGSRNNIIFWAHGJ-RVDMUPIBSA-N	365.345	3.317	50	40	FGGB	
COc1ccc(NCC(=O)N/N=C(\C)c2ccc(OC(F)F)cc2)cc1	5119797	PCXOXHLWWPJPLE-WSDLNYQXSA-N	363.364	3.249	50	40	FGGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1cccnc1	6633446	OVNXVXNRBRJWIN-YBEGLDIGSA-N	374.356	3.473	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC)c(O)c3)cc2c1	409187388	PVHMEXCELDVYDW-JAIQZWGSSA-N	354.362	3.310	50	40	FGGB	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cn2)CC1	72309136	QHYFSBCKBITVNA-FMQZQXMHSA-N	369.812	3.330	50	40	FGGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(Br)cc1	7041477	GTSUDFNUJYYTLD-VCHYOVAHSA-N	357.211	3.169	50	40	FGGB	
COc1ccccc1NC(=O)CCC(=O)N/N=C(/C)c1ccc(C)cc1	7076422	MHSOQHRKIIZCFC-JCMHNJIXSA-N	353.422	3.263	50	40	FGGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1ccccc1	3127160	LDWHFYFMRAVABP-JZOCJUILSA-N	364.232	3.321	50	40	FGGB	
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12	7783556	OBYXPNYWJQMSFK-HYARGMPZSA-N	361.401	3.327	50	40	FGGB	
C[C@H]1CCc2sc(C(=O)NNC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)cc2C1	110516243	OGPMJXQUTHSNCF-MNXVOIDGSA-N	363.552	3.170	50	40	FGGB	
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3cccnc3)cc2C1	27766709	HDFFXOVARJPNLC-CQSZACIVSA-N	357.479	3.369	50	40	FGGB	
CCN(CC)c1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	107673509	NEFJGQQDLZPJPN-ZHZULCJRSA-N	354.410	3.134	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)Nc3ccccc3)c2C)cc1	58884308	WFYNKTSOBUZDTR-OEAKJJBVSA-N	374.444	3.491	50	40	FGGB	
CCn1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1ccccc1Br	2343078	XLUUMOYBLUIYQK-CQSZACIVSA-N	359.227	3.192	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccc(Cl)cc1	4691616	IHNJDPYKRHDEPJ-HYARGMPZSA-N	357.841	3.277	50	40	FGGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccc(C(C)C)cc2)oc2ccccc12	7380399	DYGWSXCBPZCUTF-UHFFFAOYSA-N	372.446	3.488	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N\NC(=O)c1cc2ccccc2o1	408850172	HKGKOPPCRYOCHK-IXGURIBZSA-N	360.373	3.187	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c([N+](=O)[O-])cc1OC	211487925	OTZMZXOMVKUXKT-ZSOIEALJSA-N	367.361	3.466	50	40	FGGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@@H]2c1c[nH]c2ccccc12	20086251	QNSMSANOCGEHNE-GOSISDBHSA-N	368.396	3.238	50	40	FGGB	
O=C(NNC(=O)c1cc2c(s1)CCCC2)c1coc(Br)c1	30578256	UEQRAJTUMINDBB-UHFFFAOYSA-N	369.240	3.057	50	40	FGGB	
C[C@@H]1CC(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccccc2C(F)(F)F)O1	1073726	SGXISDZONFGUIN-AMIZOPFISA-N	350.296	3.103	50	40	FGGB	
COC(=O)c1ccc(N)c(SSc2cc(C(=O)OC)ccc2N)c1	2666550	RRFJMJWIKHRPOD-UHFFFAOYSA-N	364.448	3.224	50	40	FGGB	
Cc1ccc(Cn2c(C)cc3c(c2=O)[C@@H](c2ccco2)C(C#N)=C(N)O3)cc1	2197681	LWUUGLHREYTYIQ-LJQANCHMSA-N	373.412	3.325	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccccc1C(=O)O	4171177	MBCDSNRTILSULC-CYBMUJFWSA-N	364.386	3.055	50	40	FGGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1Br	409236688	GHCQZSFCHXZMGT-GRSHGNNSSA-N	365.202	3.290	50	40	FGGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)ccc21	408889154	AHGRNZSJKOJQJD-MDWZMJQESA-N	366.808	3.076	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc([N+](=O)[O-])c1O	35713525	BQEHQMCVAQCRFC-NTUHNPAUSA-N	353.334	3.163	50	40	FGGB	
NNC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1	216819335	QBBXMAQYCVVRDQ-UHFFFAOYSA-N	373.609	3.424	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)[C@H](CC)Nc2ccc(OC)cc2)cc1	1001448	HMTDBNPYMWMZIW-ORTNRGLGSA-N	355.438	3.435	50	40	FGGB	
O=C(/C=C/c1ccc(F)cc1)NNC(=O)CCSc1ccc(F)cc1	13019640	VONXQKNAPDTJDT-XCVCLJGOSA-N	362.401	3.308	50	40	FGGB	
COC(=O)c1ccc2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1	20133467	LPXUNXOOJDQGEF-NSHDSACASA-N	371.256	3.441	50	40	FGGB	
O=C(CCn1cnc2ccccc21)N/N=C\c1cccc(Br)c1	30742720	UUFBNOMVOMWPBI-JAIQZWGSSA-N	371.238	3.339	50	40	FGGB	
Cc1ccccc1C(=O)NNC(=O)CSc1ccc2ccccc2n1	4623813	GUTPBVZEGPLGIK-UHFFFAOYSA-N	351.431	3.097	50	40	FGGB	
Cc1sc(-n2cccc2)c(C(=O)NNC(=O)c2ccccc2F)c1C	23685077	XVKDHIFOIIQMME-UHFFFAOYSA-N	357.410	3.370	50	40	FGGB	
COc1cc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)ccc1OC(C)C	1842198	ZCMFOLFTEWZJJA-RGVLZGJSSA-N	368.393	3.229	50	40	FGGB	
CC1=CC(C)(C)N2C(=O)/C(=N/NC(=O)c3cccnc3)c3cc(C)cc1c32	13769217	LZCHMHUKVDXFBP-HAVVHWLPSA-N	360.417	3.066	50	40	FGGB	
COc1ccc(CC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1	408961666	UKPPEFIBTRGKAG-JWGURIENSA-N	351.450	3.378	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408787753	FTHOSPFXGBHBQC-LFIBNONCSA-N	350.374	3.093	50	40	FGGB	
CCOc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1O	408721060	JKGWFDYRSMOGPE-XNTDXEJSSA-N	371.400	3.495	50	40	FGGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccccc2C(F)(F)F)c1	408972587	PHLMZOQDZJJAHN-LSHDLFTRSA-N	363.339	3.411	50	40	FGGB	
Cn1cnnc1SCC(=O)/C(C#N)=C1/Nc2cc(Cl)ccc2S1	104583095	QTOOPMRBCFAPEJ-LCYFTJDESA-N	363.855	3.083	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)cc2)c1	4090769	NBAMHXQYZJAMAG-GHRIWEEISA-N	363.417	3.077	50	40	FGGB	
COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1cccc(F)c1	226335868	NOTIFIWNPSBXQA-AATRIKPKSA-N	350.777	3.070	50	40	FGGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)c1	27902858	CDNYBPPXLWGSLP-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccccn1	409228155	UUPGBKHNHFFKJB-OEAKJJBVSA-N	361.449	3.319	50	40	FGGB	
CCn1c(=O)n(CC)c2cc(NC(=O)[C@@H](Br)C(C)C)ccc21	408526556	BLXNBHISNGKXGT-AWEZNQCLSA-N	368.275	3.201	50	40	FGGB	
NNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1	36724692	BAOIPUTXWFRNGT-UHFFFAOYSA-N	365.890	3.186	50	40	FGGB	
COc1cccc(CC(=O)N/N=C\c2cc(F)c(N3CCCC3)cc2C)c1	33636615	WMNSPNACNTVAEO-UCQKPKSFSA-N	369.440	3.436	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1	4037142	IGTFWVDLCLJXEM-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
CC1(C)OC(=O)C(=Cc2ccc(N(CCCl)CCCl)cc2)C(=O)O1	5945761	XMUPHPXQTOKVAK-UHFFFAOYSA-N	372.248	3.190	50	40	FGGB	
O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(F)cc1	2676033	UFERPUHZBWBQIN-HZHRSRAPSA-N	355.413	3.266	50	40	FGGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1	4893951	RHSUCHXMNHQLPK-NSIKDUERSA-N	365.345	3.486	50	40	FGGB	
COc1ccc2[nH]c(C(=O)N/N=C(\C)c3ccc(OC)c(OC)c3)cc2c1	9614566	YDYIDMKTSWNTFL-WSDLNYQXSA-N	367.405	3.348	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C	2748777	PYAXWMTVOMBOCD-YBFXNURJSA-N	357.366	3.155	50	40	FGGB	
N#C/C(C(=O)CSc1nnc2ccccn12)=C1\Nc2ccccc2S1	104795161	ISZVUWVMPLNTJI-WJDWOHSUSA-N	365.443	3.343	50	40	FGGB	
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)c3cccnc3)cc2C1	27766715	HDFFXOVARJPNLC-AWEZNQCLSA-N	357.479	3.369	50	40	FGGB	
Cc1occc1C(=O)N/N=C/c1cc(Br)cc(Cl)c1O	4150794	STPIMFLZGKPYGW-OMCISZLKSA-N	357.591	3.473	50	40	FGGB	
O=C(CSCc1ccccc1Cl)N/N=C1\C(=O)Nc2ccccc21	20248339	NTHMJNITEXLWQW-UHFFFAOYSA-N	359.838	3.046	50	40	FGGB	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(S(=O)(=O)CCCCC#N)C1	585138628	SFJCIVWYSLKYAD-HNNXBMFYSA-N	360.596	3.496	50	40	FGGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	867506	RGLOHYSCWDMQLW-KPKJPENVSA-N	371.324	3.297	50	40	FGGB	
COC(=O)N/N=C/c1c(C)c(C(=O)c2ccc(F)cc2)n2ccccc12	3280302	RIBUJQOZSBIUDK-SRZZPIQSSA-N	353.353	3.308	50	40	FGGB	
O=C(NNC(=O)c1cccs1)c1ccc(OCc2ccccc2)cc1	3396577	CDOMTLKBWDWTGT-UHFFFAOYSA-N	352.415	3.402	50	40	FGGB	
CCN(CC)C(=O)CSc1nc2ccccc2n1C(=O)OCCCl	2346621	FVUNORCOQGXGCE-UHFFFAOYSA-N	369.874	3.220	50	40	FGGB	
O=C(CN1CCCc2ccccc21)NNC(=O)Nc1cccc2ccccc12	11007119	KUTOMXJUWIQZKY-UHFFFAOYSA-N	374.444	3.445	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)cc1	408793286	DTBCIPGXIOISQW-MDWZMJQESA-N	356.765	3.378	50	40	FGGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)NC1CCCCCC1	409006590	PTQOCWVXBRRYRX-VXLYETTFSA-N	356.253	3.283	50	40	FGGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1	408998730	QEPMUYUQUYNTQW-YBFXNURJSA-N	372.450	3.044	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1[N+](=O)[O-]	408719104	DQCWYFGJFQKOLC-MDBUFAAASA-N	373.434	3.375	50	40	FGGB	
Nc1c(Br)cc(C(=O)CBr)cc1Br	38411392	HAMHABGUPISDGT-UHFFFAOYSA-N	371.854	3.371	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc([N+](=O)[O-])c1O	16411815	KEQCSINBVQFRLO-VGOFMYFVSA-N	367.361	3.472	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCC#N	5129713	IWLHLPMAQIFCTI-GXDHUFHOSA-N	351.337	3.282	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)C(Cl)Cl)c(C(C)C)cc1Cl	3190133	VYLKYOTYKHIOKR-UHFFFAOYSA-N	367.660	3.102	50	40	FGGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccn1	6610080	WGMYDTGDTMLHHP-RGVLZGJSSA-N	363.402	3.466	50	40	FGGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1cccnc1)C(C#N)=C(N)O2	809416	HXPQYHOOPMSIGW-KRWDZBQOSA-N	363.808	3.447	50	40	FGGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(N2CCOCC2)cc1	10843279	ANMJYFJERDSCHZ-JJIBRWJFSA-N	373.456	3.369	50	40	FGGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1cccnc1	3166701	TYHBLDCWBBNDKJ-ZVHZXABRSA-N	368.400	3.093	50	40	FGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)cc2)cc1Cl	59433914	PUAYVBPTRJMDQH-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(C(=O)O)cc1	59166002	BRMFBZJFLCIKMU-DJKKODMXSA-N	362.838	3.422	50	40	FGGB	
CN(C)c1ccc(/C=N\NC(=O)CSc2nc3ccccc3s2)o1	408996729	MVIUQYNXZBOUMN-MFOYZWKCSA-N	360.464	3.198	50	40	FGGB	
COc1cc2c(cc1/C=C(/C#N)C(=O)NCCCc1ccccc1)OCO2	409239385	PTMMJCJZTNYSIH-YVLHZVERSA-N	364.401	3.080	50	40	FGGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3Cl)CC2=O)cc1	409163688	WIMKIDDXGYPNSY-BDQMVGTNSA-N	369.852	3.406	50	40	FGGB	
COc1cccc(C(=O)N/N=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)c1	96481744	ARFKENPSSMHEEA-MTJSOVHGSA-N	364.357	3.417	50	40	FGGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	875360	CEEGOJFLGUTOSX-LJQANCHMSA-N	358.401	3.408	50	40	FGGB	
COc1cc(C(=O)N/N=C2\CCCc3ccccc32)cc(OC)c1OC	1201007	XLQOWYWWYSVPFL-LTGZKZEYSA-N	354.406	3.183	50	40	FGGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)cc1	2176194	VULXCHXKWSLOOH-NWGMWSOJSA-N	353.447	3.361	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)cc(Cl)c1O	6215715	RPLBNBSHEINCIB-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
COc1ccccc1NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2	4663444	NIZXAFWYVBFZGP-UHFFFAOYSA-N	359.495	3.229	50	40	FGGB	
C#CCOc1ccc(Cl)cc1[C@@H]1C(C#N)=C(N)N(C)C2=C1C(=O)CCC2	409139074	MBXNHWNGXPGISP-GOSISDBHSA-N	367.836	3.082	50	40	FGGB	
COc1ccc(CC(=O)N/N=C\c2cccn2-c2ccc(OC)cc2)cc1	408950982	HCWCEKPDUDUBPF-JCMHNJIXSA-N	363.417	3.187	50	40	FGGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccccc1N	409033206	NVSNAZJUTWGTRG-RGVLZGJSSA-N	374.238	3.360	50	40	FGGB	
Cc1cc(/C=N\NC(=O)c2cccnc2)c(C)n1-c1cccc([N+](=O)[O-])c1	30814077	URQLUAMUZAJABN-MTJSOVHGSA-N	363.377	3.161	50	40	FGGB	
O=C(CCn1cnc2ccccc21)N/N=C/c1c(O)ccc2ccccc12	2197471	SQPJQVNNXUXWLU-YDZHTSKRSA-N	358.401	3.436	50	40	FGGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1	4457848	XNGLMGHXZCJIDW-OAHLLOKOSA-N	359.345	3.203	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1	9204312	HHLODVVEZBAHAK-DEDYPNTBSA-N	371.234	3.154	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	106091422	KSXBLASUVNRYKY-OEAKJJBVSA-N	373.412	3.349	50	40	FGGB	
CC1=CC(=O)[C@H](Cl)[C@](C)(Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1	4167607	LFHTVIZLZIQDHD-JYVCYHMLSA-N	360.262	3.259	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	408811004	NFVJUYNSKOHKJX-GZTJUZNOSA-N	354.381	3.074	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1	408530010	KSLQGSZQBRLLEQ-LSHDLFTRSA-N	351.328	3.276	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)ccc1O	33705285	QXCXZIVGDLOJAK-ZSOIEALJSA-N	352.346	3.035	50	40	FGGB	
CCOc1cc(Cl)cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c1O	1099788	PXCUFMWVOXKZQF-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
O=C(COc1cccc2ccccc12)NNC(=O)c1cccc(Cl)c1	4673190	BKKHBEMMSBQTKT-UHFFFAOYSA-N	354.793	3.333	50	40	FGGB	
COc1ccccc1C(=O)N/N=C/c1cccn1-c1ccc(N(C)C)cc1	408951177	HZNVJOWYDZXILY-PXLXIMEGSA-N	362.433	3.316	50	40	FGGB	
COc1cc(/C=C(/C#N)c2nnc3n2CCCCC3)cc(OC)c1OC	33248060	SIXIUVQONTZBPY-ZROIWOOFSA-N	354.410	3.094	50	40	FGGB	
CO[C@H]1C[C@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431184	HMZBDIASJKIJQB-RVMXOQNASA-N	370.203	3.047	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2o1	1305134	LBRBIYHNYPSXMZ-YBFXNURJSA-N	355.419	3.469	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccoc2C)ccc1OC(=O)c1ccco1	5537247	VHUFHRKKKKXNLT-RGVLZGJSSA-N	368.345	3.173	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1	30937447	CCSGWVXYDRWYCC-UFFVCSGVSA-N	374.824	3.273	50	40	FGGB	
CCc1ccc(N2C[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)cc1	7929111	ZEZWUCUYCVVQIW-CQSZACIVSA-N	354.362	3.116	50	40	FGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)OC(C)(C)C	57588944	GJMSEQQYBIABLX-LICLKQGHSA-N	353.216	3.320	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	408858516	SQEUKUFJPRPYRU-UIRWJGRMSA-N	358.401	3.422	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408815250	QTLIDQBXYMJBGV-GXDHUFHOSA-N	369.377	3.223	50	40	FGGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccccn3)c2C)c1	409238529	ASVGUBGUEBQWJN-UCQKPKSFSA-N	362.433	3.191	50	40	FGGB	
CCCCOc1cccc(C(=O)n2cc(C(=O)NN)c3ccccc32)c1	216957425	FAYBWJOAIVRGFR-UHFFFAOYSA-N	351.406	3.112	50	40	FGGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1OCC(=O)O	48234849	JGDCWJDLOCSSKY-YBEGLDIGSA-N	350.374	3.313	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1OC	255133949	DEGGZVQOUJRKKG-BOPFTXTBSA-N	366.417	3.326	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1	5744236	BPHQKFJTYVADAD-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
C/C(CC(=O)Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cccc(C)c1	4551013	BSGMJQKAKMKARV-DEDYPNTBSA-N	354.366	3.038	50	40	FGGB	
O=C(N/N=C/c1ccccc1I)c1cccs1	3575562	ZBYOKZUHIZKCTI-RIYZIHGNSA-N	356.188	3.117	50	40	FGGB	
O=C(NNc1nc2c(F)cccc2s1)c1cc2ccccc2oc1=O	4121341	ADWXRTLNZNEGCQ-UHFFFAOYSA-N	355.350	3.299	50	40	FGGB	
Cc1cccc(COc2ccc(Cl)cc2/C=N/NC(=O)C(C)(C)O)c1	32578382	ACGLTZPSBFRFKK-SRZZPIQSSA-N	360.841	3.448	50	40	FGGB	
CCOc1ccccc1C(=O)Oc1cccc(/C=C(\C#N)C(=O)OC)c1	11990408	OSOAZMWUZZBTOE-RVDMUPIBSA-N	351.358	3.384	50	40	FGGB	
CC1=CC(C)(C)N2C(=O)/C(=N/NC(=O)c3ccncc3)c3cc(C)cc1c32	12631993	RDCSZVFVAHSMTR-HAVVHWLPSA-N	360.417	3.066	50	40	FGGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCC(=O)O	408570389	ULONLULDWWPTMO-SDQBBNPISA-N	367.336	3.238	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc1OCC	408729421	ZOZZLAFIHYNUOZ-KGENOOAVSA-N	356.422	3.185	50	40	FGGB	
CCn1nc(C)c(Cl)c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	253400158	KVAJWKRZLGEHNO-CYBMUJFWSA-N	360.845	3.316	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(OC)c1C	7386515	HUVGAUAAQWXAAD-HYARGMPZSA-N	367.449	3.376	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1	59473024	KPEABVIKBLCBKX-RGVLZGJSSA-N	356.447	3.304	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NC(C)C)c2C)cc1C	58913879	YSTGRTDUCLCLLP-UUYOSTAYSA-N	368.481	3.076	50	40	FGGB	
Cc1ccc(-c2nc(CC(=O)NNC(=O)c3cccs3)cs2)c(C)c1	10024424	GQTSNBQIRHKDSR-UHFFFAOYSA-N	371.487	3.492	50	40	FGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1O	4592487	NCOKRLSAPFPVGS-MRXNPFEDSA-N	360.373	3.009	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])c1	8182180	SOXANAHJJYVCDA-WTYNHFEKSA-N	353.378	3.406	50	40	FGGB	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1	120603526	CGBRRSOINZOKFD-MNDPQUGUSA-N	361.445	3.341	50	40	FGGB	
CCOC(=O)C(CCCBr)(C(=O)OCC)c1ccccc1	1752288	LLEWSGAUVREMCE-UHFFFAOYSA-N	357.244	3.226	50	40	FGGB	
C/C(=N\NC(=O)c1ccoc1C)c1ccc(S(=O)(=O)C2CCCC2)cc1	46095183	PTOXLCFWPUGRIE-DEDYPNTBSA-N	374.462	3.458	50	40	FGGB	
CCOc1cc(N(CC)CC)ccc1/C=C(\C#N)c1n[nH]c(N)c1C#N	4853172	WVCAGHXGCXOVHD-NTEUORMPSA-N	350.426	3.173	50	40	FGGB	
COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(SC#N)cc1C	7051393	IKYVUCKRCOMQAC-UHFFFAOYSA-N	362.432	3.156	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(Br)cc2)c(O)c1	409392676	RGDHKLQLPQDTFN-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
O=C(CNC(=O)c1cccc(Cl)c1)N/N=C\c1cccc2ccccc12	32704951	MZXWIVBKIBOMTB-FMCGGJTJSA-N	365.820	3.373	50	40	FGGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(CCC)c32)cc1OC	5044942	QWLZVEVBCKNTDV-KRWDZBQOSA-N	368.437	3.378	50	40	FGGB	
Cc1ccc(/C=N\NC(=O)[C@@H]2COc3ccc(C(C)(C)C)cc3O2)c(O)c1	12447290	UXWMENUFPOVUGB-SNINMWPCSA-N	368.433	3.288	50	40	FGGB	
C/C(=N/NC(=O)COc1ccc(Cl)cc1C)c1ccc([N+](=O)[O-])cc1	12576802	LNQBNBSDKZSXFK-UNOMPAQXSA-N	361.785	3.476	50	40	FGGB	
O=C(N/N=C/c1ccccc1O)c1ccc(NC(=O)c2ccccc2)cc1	5175252	CAHGAKUOZZTDMU-HYARGMPZSA-N	359.385	3.408	50	40	FGGB	
CCCCC(=O)NNC(=O)c1ccccc1OCCOc1ccccc1	12893466	HCULHPUCXPGQNB-UHFFFAOYSA-N	356.422	3.096	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)CSc2cccc3cccnc23)s1	9995962	CAINITPBJWSXNR-UHFFFAOYSA-N	357.460	3.158	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccccc3Cl)CC2=O)cc1C	409171463	BRZDJSUJPCBBJW-CNPYVQQSSA-N	369.852	3.460	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1[N+](=O)[O-]	408599374	TXNNEXAQRGQGDA-WOJGMQOQSA-N	372.337	3.056	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)cc1	211257867	KKELVPYQJBSCSU-SSZFMOIBSA-N	351.381	3.208	50	40	FGGB	
O=C(N/N=C\c1cc([N+](=O)[O-])c(O)cc1O)c1ccc(Cl)cc1Cl	83330581	XZTRDLZPKFQMJZ-FMQZQXMHSA-N	370.148	3.077	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCC(C)CC2)c(C)n1C[C@@H]1CCCO1	49910166	YVGIAPHXKWOVDT-RQRMZWKBSA-N	355.482	3.449	50	40	FGGB	
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1	8018436	VVXVRVJSFAOCOO-QGZVFWFLSA-N	359.385	3.145	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2C)cc1	1052238	RISLIMQCRUNTFW-RGVLZGJSSA-N	356.447	3.304	50	40	FGGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCC1)c1cccc([N+](=O)[O-])c1	59488992	XWVQLDMFLIGJFL-UHFFFAOYSA-N	371.315	3.179	50	40	FGGB	
Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(C(C)(C)C)cc1	2135411	WYUVXLQXIIMPJS-UHFFFAOYSA-N	369.490	3.242	50	40	FGGB	
C/C(=N\NC(=O)CSc1ccccn1)c1ccc(Br)cc1	4869537	ZHXZLVKRGAKEAA-WOJGMQOQSA-N	364.268	3.477	50	40	FGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c1OC	6804499	ATEHWRDMUPSSPY-INIZCTEOSA-N	374.400	3.312	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)[C@@H](O)c1ccccc1	4908107	HVYAPCKANOETKX-TYJAPOHBSA-N	365.345	3.039	50	40	FGGB	
O=C(Cc1ccc2c(c1)OCCO2)N/N=C\c1ccc(Cl)cc1Cl	409363369	LKMVOOYUFGQQOD-JMIUGGIZSA-N	365.216	3.457	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc([N+](=O)[O-])cc1	409200445	LKRZHILSKFUVFA-XNTDXEJSSA-N	350.378	3.188	50	40	FGGB	
C/C(=N/NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(NC(=O)C2CC2)c1	695795	VRKZNXKWDXYFIF-MTJSOVHGSA-N	366.377	3.097	50	40	FGGB	
CCOC(=O)C1=C[C@H]2C=C[C@@H]1[C@H]1[C@@H](Br)[C@@H](Br)[C@H]21	101048245	OBJRCCAIJCYYQE-CINVBWLASA-N	362.061	3.065	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	4050374	ULCBEPDXLPTGNI-UHFFFAOYSA-N	355.375	3.193	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2cc(C)cc(C)c2)cc1OC	5466130	SAGODLLBHGBHAR-CIAFOILYSA-N	356.422	3.240	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)ccc1OCC#N	44028937	ZLHLPQRNEZQWAR-OVCLIPMQSA-N	362.341	3.116	50	40	FGGB	
O=C(NCCOc1ncccc1Cl)[C@@]12CC[C@@H](C[C@@H]1Br)C2	97032769	DNHZRKZGNKFRKE-ITDIGPHOSA-N	373.678	3.184	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Br)cs2)c(F)c1	1053849	HHMXMZAOZZBTOX-UBKPWBPPSA-N	352.188	3.285	50	40	FGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccco1	100510217	BRTDXXYGUZUOJX-UFFVCSGVSA-N	353.300	3.433	50	40	FGGB	
Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(Cl)nc2c1	925151	NZFGZDHUXKWNKH-HNNXBMFYSA-N	351.797	3.446	50	40	FGGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3cccc(Cl)c3)cc2)n1	3323865	XAWMUWGJXOUQOM-UHFFFAOYSA-N	368.824	3.217	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccccc1OC	409105772	ONQUNMUHKZHZKT-JAIQZWGSSA-N	362.813	3.276	50	40	FGGB	
C/C(CC(=O)Nc1ccccc1)=N\NC(=O)CSCc1ccccc1	408719424	DXIVRSZYXFVXJJ-RCCKNPSSSA-N	355.463	3.441	50	40	FGGB	
C=CCc1cc(/C=N\NC(=O)[C@H](C)Oc2ccccc2C)cc(OC)c1O	32114677	CJLVECQHSPMDDE-PXNCGERRSA-N	368.433	3.355	50	40	FGGB	
O=C(Oc1cccc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c1)c1ccccc1	830834	YKWAKGHBQAARAY-VRMLFSPKSA-N	374.396	3.090	50	40	FGGB	
O=C(CSc1nc2ccccc2o1)NNC(=O)c1ccc(Cl)cc1	5033867	LAEQZKXENKDKIA-UHFFFAOYSA-N	361.810	3.035	50	40	FGGB	
N#CC1=C(N)Nc2sc(C#N)c(N)c2[C@@H]1c1ccccc1C(F)(F)F	5584270	VNCJHDJPFZPFON-LLVKDONJSA-N	361.352	3.472	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)N/N=C\c1ccccc1[N+](=O)[O-]	13595580	ILSWDICDVCZONK-YVLHZVERSA-N	362.183	3.050	50	40	FGGB	
C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	6455733	HRMOVGKADLHMSC-GOEBONIOSA-N	369.490	3.159	50	40	FGGB	
CN(C)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(F)cc2)cc1	59104869	LJHPUJVKRISQQN-HYARGMPZSA-N	350.397	3.446	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(N)=O)cc1)C(=O)Nc1ccc2ccccc2c1	408761769	LGZVSWKMDKGQLR-WOJGMQOQSA-N	371.396	3.250	50	40	FGGB	
COC(=O)[C@@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@@H]1c1ccccc1F	20792595	OPPKVTVGKRAZTG-YXKFXFPPSA-N	351.381	3.069	50	40	FGGB	
CC(C)N(C(=O)CCl)[C@H]1CCCN(C(=O)OCc2ccccc2)C1	79392716	JNDJUADYFIYVLO-INIZCTEOSA-N	352.862	3.263	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(OC(F)F)cc2)C=C1C1CC1	3178225	YNVKBRRRPMXMLH-MRXNPFEDSA-N	352.344	3.492	50	40	FGGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc2c1OCCO2	7167731	SFAWBWBDUFTNEU-CXUHLZMHSA-N	371.414	3.113	50	40	FGGB	
Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(Cl)nc2c1	925150	NZFGZDHUXKWNKH-OAHLLOKOSA-N	351.797	3.446	50	40	FGGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccncc1	3164625	YCLYMTBNLISHOQ-ZVHZXABRSA-N	368.400	3.093	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)c2cccnc2c1O)c1cccc([N+](=O)[O-])c1	59459095	WYOBUNPXBAGNON-AWQFTUOYSA-N	370.752	3.266	50	40	FGGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)c1	59515514	CVPDDCMDTHCQPZ-HYARGMPZSA-N	365.433	3.464	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1	59515541	MDYCXQJPIRNQKD-RGVLZGJSSA-N	359.813	3.136	50	40	FGGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1	409134681	XCCWHZNNOURVFS-MCIONIFRSA-N	373.478	3.141	50	40	FGGB	
O=C(Cn1ccc(C(F)(F)F)n1)NN=C1c2ccccc2-c2ccccc21	5560671	NTXUPABDZXQAOY-UHFFFAOYSA-N	370.334	3.451	50	40	FGGB	
CC(=O)NNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl	408997948	PIRZJEUAOCYMDR-UHFFFAOYSA-N	366.204	3.027	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C	408934252	BQSXADMRNDSGOV-HJGVYBFFSA-N	368.481	3.076	50	40	FGGB	
CCn1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C(C)C)n1	253407416	WJEVGJGNJQLRNU-INIZCTEOSA-N	354.454	3.477	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccccc1CC	15423191	DEUSHJJTMKVAGI-ZDUSSCGKSA-N	355.276	3.257	50	40	FGGB	
Cc1cc(C)c2nc(NNC(=O)[C@@H]3COc4ccccc4O3)sc2c1	4265863	KDHPHLNPVYDYMJ-AWEZNQCLSA-N	355.419	3.196	50	40	FGGB	
Cc1cc(C)c2nc(NNC(=O)[C@H]3COc4ccccc4O3)sc2c1	4265864	KDHPHLNPVYDYMJ-CQSZACIVSA-N	355.419	3.196	50	40	FGGB	
COC(=O)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	1784222	MIIIBXFWOLLAOU-VIZOYTHASA-N	368.143	3.307	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccc(OCC)cc2)cc1OCC	20764777	BHBJZTOHYDBBNI-PXLXIMEGSA-N	366.417	3.260	50	40	FGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4F)c32)c1	4167510	XYPQRENBLHUXBS-INIZCTEOSA-N	362.364	3.443	50	40	FGGB	
Cc1c(C(=O)NNS(=O)(=O)c2ccccc2Cl)oc2ccccc12	7380417	VXUGDDUHJUESCX-UHFFFAOYSA-N	364.810	3.018	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1OC	408904660	MTOCZOFLFSITOR-GRSHGNNSSA-N	369.333	3.122	50	40	FGGB	
Cc1ccc(/C=C(\C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1	7208081	QOZLRSLXLTWFJW-XDJHFCHBSA-N	371.444	3.477	50	40	FGGB	
C/C(=N\NC(=O)CNC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1	5221552	CXNPKGXXKJJEHQ-HZHRSRAPSA-N	361.401	3.217	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1	4416898	FTYYAUJDVVPKPO-FYJGNVAPSA-N	372.421	3.265	50	40	FGGB	
COc1cccc(CC(=O)N/N=C\c2ccc(N3CCCC3)cc2C)c1	408960303	KXZRAVFQGMVISW-JCMHNJIXSA-N	351.450	3.297	50	40	FGGB	
N#CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	4699083	PFYPNESGNHUNDD-RGVLZGJSSA-N	364.317	3.007	50	40	FGGB	
N#C[C@@H]1[C@H](Br)[C@H](O)c2ccccc2N1C(=O)c1ccccc1	17299277	PKNLRSBYSSNFHC-OWCLPIDISA-N	357.207	3.036	50	40	FGGB	
O=C(N/N=C\c1ccc(I)o1)Nc1ccccc1	409000405	SVRSWEMJGQWOOO-ZSOIEALJSA-N	355.135	3.040	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1cc(Br)c(O)cc1O	100932837	IHVAGGMSWGNIES-KKQKZZEXSA-N	367.243	3.137	50	40	FGGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1OC	9110997	MRZWMTAGFAZDOX-FYJGNVAPSA-N	364.405	3.248	50	40	FGGB	
O=C(O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Cl	408953591	WSRZRONXOIMXHK-UKWGHVSLSA-N	372.764	3.314	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccc(Cl)cc1	408740787	MKOFJHDUYULYDI-MBTVCVBTSA-N	354.797	3.095	50	40	FGGB	
CCC[C@H](C(=O)OC)/C(C)=N/NC(=O)c1ccc(Br)cc1	408722726	FKDGRSJQRWLVIZ-VZWMTCDZSA-N	355.232	3.144	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc2c(c1)OCO2	4499572	PRRIYHVRKLLGBV-ZVBGSRNCSA-N	350.296	3.127	50	40	FGGB	
COC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	2752289	PDACZOZGOTZRBT-DHDCSXOGSA-N	368.345	3.262	50	40	FGGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)N1CCOCC1)[C@H](C)CC(C)(C)N2C	208216896	GQANPYPMHOHCAC-CJMVGXJBSA-N	367.493	3.483	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c1O	1433468	NZSDFVHKSOLHKP-DJKKODMXSA-N	364.854	3.438	50	40	FGGB	
O=C(NN(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1	5553202	WSRCZRSMPWSDJR-UHFFFAOYSA-N	352.415	3.227	50	40	FGGB	
Cc1sc(-n2c(C)ccc2C)c(C(=O)NNC(=O)c2ccccn2)c1C	65565599	UYHIANQCEZSZQE-UHFFFAOYSA-N	368.462	3.242	50	40	FGGB	
O=C(CCCc1cccs1)NNC(=O)c1ccccc1Br	6510328	JVLLFQQCNLCTQL-UHFFFAOYSA-N	367.268	3.295	50	40	FGGB	
C=CCN1C(=O)/C(=N/NC(=O)c2ccccc2-n2cccc2)c2ccccc21	5631225	TYAUILWKUGWCHO-BSYVCWPDSA-N	370.412	3.144	50	40	FGGB	
COc1ccc(CCC(=O)NNC(=O)Nc2cc(Cl)ccc2C)cc1	15933703	SUDZJDFSLAQFLX-UHFFFAOYSA-N	361.829	3.443	50	40	FGGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(Br)s1	7653511	IANSLJSZAICYDV-UHFFFAOYSA-N	359.632	3.239	50	40	FGGB	
N#CC1=C(O)NC(O)=C([n+]2ccccc2)[C@H]1c1ccc(Br)cc1	12375259	FYEBTHJGHXXDCV-AWEZNQCLSA-O	371.214	3.101	50	40	FGGB	
CCOC(=O)c1ccccc1C(=O)[C@H](Br)CBr	575362027	VXXBBZZLFZSVQQ-SNVBAGLBSA-N	364.033	3.204	50	40	FGGB	
Cc1cccc(NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C)c1	8733110	XJNHFKPFDABNSD-CQSZACIVSA-N	355.276	3.249	50	40	FGGB	
CCC(=O)NNC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1	23054805	MNNYSPCUQLBBPW-UHFFFAOYSA-N	354.435	3.026	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(C(=O)OC)cc3)cc2c1	409188482	ZRCUUAXXPHLURL-MTJSOVHGSA-N	366.373	3.382	50	40	FGGB	
CC1(C)Oc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc2NC1=O	35291253	KOJWPXGYVOIZIJ-KEBDBYFISA-N	357.797	3.213	50	40	FGGB	
CO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccccc1Br	4402324	IRWBNKOBJVFTEL-VZCCDBLZSA-N	373.250	3.461	50	40	FGGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	5420548	YBOQGKRQQJMGMN-IOVUBPJKSA-N	354.406	3.156	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)C4CCCCC4)ncnc32)c(C)c1	7393262	ZIEXANGSYQEOFY-UHFFFAOYSA-N	364.453	3.456	50	40	FGGB	
CC[C@H](Oc1ccc(C)cc1)C(=O)NNC(=O)Cc1ccc(Cl)cc1	12137396	QWKCWQPBQVWTHU-KRWDZBQOSA-N	360.841	3.196	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(F)cc2)c(OCC)c1	409360938	QTMWUTJMPAXFLX-WSDLNYQXSA-N	359.401	3.185	50	40	FGGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)NC(N)=O	409240839	ILBBBINPGMEFRC-ZROIWOOFSA-N	355.781	3.021	50	40	FGGB	
O=C(Cc1cn2ccsc2n1)N/N=C1/CCSc2ccc(F)cc21	33044102	FLZSSGJAPKXAIQ-UYRXBGFRSA-N	360.439	3.094	50	40	FGGB	
C=CCn1cc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	6313081	OTPGCZSZBUBWTB-FYJGNVAPSA-N	362.389	3.428	50	40	FGGB	
C[C@H](SCc1ccccc1)C(=O)NNC(=O)c1cc2c(s1)CCC2	40144179	RAAVAMUZMOJHEN-LBPRGKRZSA-N	360.504	3.320	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]2CSCC=C12	1079153	ZCLBAIXFQUCONY-CVEARBPZSA-N	352.850	3.497	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	59101766	KCQHYTKIKNWVAQ-REZTVBANSA-N	356.234	3.452	50	40	FGGB	
Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)[C@]1(C)CC1(Cl)Cl	17074336	IGCWYXAELXOZRP-ZDUSSCGKSA-N	360.628	3.005	50	40	FGGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC(N)=O)cc1	408816347	RNQBYPLPCALSCC-NTEUORMPSA-N	369.808	3.058	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2cccnc2)ccc1OCc1ccccc1	33341890	UVAOOHDBPZVRQW-QRVIBDJDSA-N	361.401	3.433	50	40	FGGB	
N#CC1=C(N)Nc2sc(C#N)c(N)c2[C@H]1c1ccccc1C(F)(F)F	5584245	VNCJHDJPFZPFON-NSHDSACASA-N	361.352	3.472	50	40	FGGB	
NNC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	226340107	FBGNJWGHGZZPRO-UHFFFAOYSA-N	373.609	3.424	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccnc1)[C@@H](Br)C2=O	27026833	DDVDWFCVOIQBSE-XZJROXQQSA-N	351.244	3.179	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59334053	WMEQQAHFAOSRRM-WDZFZDKYSA-N	367.630	3.110	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	408777937	MOIOLLXQQVVQJG-UDWIEESQSA-N	357.479	3.145	50	40	FGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	408857592	LFMOQTISTRDHAB-KEBDBYFISA-N	374.784	3.361	50	40	FGGB	
Cc1c(C(=O)NN=Cc2cccc(Br)c2)sc(N)c1C#N	408730996	XMTGYYJESFEZIN-UHFFFAOYSA-N	363.240	3.037	50	40	FGGB	
O=C(CCl)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1	39743645	QSAMMDNQBOMLPH-UHFFFAOYSA-N	356.769	3.166	50	40	FGGB	
N#C/C(=C/c1ccccc1OCC(=O)O)C(=O)Nc1ccccc1Cl	40161135	IULBTFXJHWMTIH-LCYFTJDESA-N	356.765	3.349	50	40	FGGB	
Cc1nc2ccccn2c1C(=O)N/N=C1\CCSc2ccc(F)cc21	7041384	QTXVSEMIRNJUSF-KGENOOAVSA-N	354.410	3.412	50	40	FGGB	
Cc1ccccc1/C=C(\C#N)C(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCO2	5156330	RGGFYKABHYPJQU-RIYZIHGNSA-N	365.345	3.220	50	40	FGGB	
N#C/C(=C(/O)CCCN1C(=O)c2ccccc2C1=O)c1nc2ccccc2[nH]1	102483049	OVOUJJVSPMXBDN-SDXDJHTJSA-N	372.384	3.432	50	40	FGGB	
CCn1c(NNC(=O)/C=C/c2ccccc2Cl)nc2ccccc2c1=O	32904534	LCOGMMDDNOJXFP-VAWYXSNFSA-N	368.824	3.226	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1cn(C)c2ccccc12	5327656	OZHAGZJRTDAJPP-CIAFOILYSA-N	351.406	3.106	50	40	FGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2C)c1	14186084	DAGNQNLOOIIZOK-UDWIEESQSA-N	354.366	3.016	50	40	FGGB	
Cc1cccc2nc(C(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)cn12	14595765	NTQAFMTZFNNALO-UHFFFAOYSA-N	366.465	3.010	50	40	FGGB	
O=C(O)c1ccc(COc2ccccc2/C=N\NC(=O)c2ccco2)cc1	36127328	PUGDODRKUQFJJX-MTJSOVHGSA-N	364.357	3.321	50	40	FGGB	
COc1cccc(P(=O)(c2ccccc2)c2ccccc2)c1C(=O)O	95612007	NXUPXNRIBCHRNW-UHFFFAOYSA-N	352.326	3.033	50	40	FGGB	
Cc1sc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1[N+](=O)[O-]	1085478	ZRMUHSORZSVGJN-FRKPEAEDSA-N	353.787	3.147	50	40	FGGB	
Cc1oc2nc[nH]c(=O)c2c1C(=O)NN=C(c1ccccc1)c1ccccc1	27768602	DFQMBHZOCZDYHF-UHFFFAOYSA-N	372.384	3.007	50	40	FGGB	
CCn1c(C)c(/C=N/NC(=O)c2ccc(OC)cc2O)c2ccccc21	409389895	AWRRMEIWRVIROT-CIAFOILYSA-N	351.406	3.448	50	40	FGGB	
Cc1ccc(OCC(=O)NNC(=O)Nc2ccc(C)c(Cl)c2)cc1C	13322189	JNJHETWADQAQNU-UHFFFAOYSA-N	361.829	3.497	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	5221724	PCRVKHPXDHHUJU-UDWIEESQSA-N	362.813	3.276	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccc(C)cc1C)c1ccc(O)cc1	4602500	LBRJUTWVYOSXCO-PXLXIMEGSA-N	353.422	3.268	50	40	FGGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)CC(=O)N1	9329473	LCXCGGBYUQAURD-SECBINFHSA-N	371.245	3.238	50	40	FGGB	
CC(C)(C)c1ccccc1OCC(=O)NNC(=O)c1cc2c(s1)CCC2	17445757	BYEJMBYQGDYTFK-UHFFFAOYSA-N	372.490	3.374	50	40	FGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)cc(C)c2)c1C	408971843	MGQDUNZUZHBHFS-LPYMAVHISA-N	368.481	3.029	50	40	FGGB	
CCN(C(C)=O)c1nc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cs1	44028660	DBFHCCZFGODWDK-AWNIVKPZSA-N	369.402	3.034	50	40	FGGB	
CS(=O)(=O)[C@@H](Br)[C@H](O)c1ccc(-c2ccccc2)cc1	96519001	SIWPZBOJBULMML-HUUCEWRRSA-N	355.253	3.153	50	40	FGGB	
O=C(N/N=C/c1ccccc1F)c1ccn(Cc2ccc(Cl)cc2)n1	1089040	JEAYHIMSGZJARL-SRZZPIQSSA-N	356.788	3.488	50	40	FGGB	
C#CCOc1ccccc1/C=N\NC(=O)c1ccc(OCC=C)c(OC)c1	6441287	YHMXAYCGIYEGKF-JCMHNJIXSA-N	364.401	3.036	50	40	FGGB	
O=C(COc1ccccc1-c1ccccc1)N/N=C/c1ccc(O)cc1O	5604559	BRRNMAZPGAWLRY-LPYMAVHISA-N	362.385	3.294	50	40	FGGB	
Cc1cc(=O)[nH]c(SCC(=O)NN(c2ccccc2)c2ccccc2)n1	9709644	RRQFSTCXCSNZHO-UHFFFAOYSA-N	366.446	3.040	50	40	FGGB	
C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(F)cc1	946837	MOGDIQFIUSZECV-MTJSOVHGSA-N	356.426	3.345	50	40	FGGB	
C[C@@H](SCc1ccccc1)C(=O)NNC(=O)c1cc2c(s1)CCC2	40144182	RAAVAMUZMOJHEN-GFCCVEGCSA-N	360.504	3.320	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)c2ccc(-n3cccc3)cc2)cc1	6569414	XNQNLSLYSJEYST-UHFFFAOYSA-N	366.446	3.117	50	40	FGGB	
COc1cc(/C=N/NC(=O)C2CCCCC2)cc(Br)c1O	6657200	DJXGXHJAOAZVOS-RQZCQDPDSA-N	355.232	3.194	50	40	FGGB	
C/C(=N/NC(=O)c1ccccc1O)c1ccc(NC(=O)C(F)(F)F)cc1	5620734	YXWNUEAYWDJQCY-YVNNLAQVSA-N	365.311	3.047	50	40	FGGB	
Cc1ccc(N/N=C2\N/C(=C(\C#N)C(=O)N3CCCC3)c3ccccc32)cc1	6832980	ZBLNDTICHUOPQC-FMQUCBEESA-N	371.444	3.229	50	40	FGGB	
CCOC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	96662764	WUCHYYYNRTVSPA-WQRHYEAKSA-N	358.401	3.463	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1	408973659	NSHHURYLBROXRR-VMHRPQTGSA-N	363.461	3.276	50	40	FGGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1ccc(F)cc1	3572329	CMGTVCJCNKPOKW-GIJQJNRQSA-N	351.175	3.361	50	40	FGGB	
CC(C)(C)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1	6323436	YGYHPBCJPCKPDW-QIWJOQEQSA-N	363.461	3.487	50	40	FGGB	
Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O	7929440	CJFIZYRIGNTCIO-AWEZNQCLSA-N	354.362	3.170	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(OC)c1	831049	HITVMHKHNGQOBP-MQMKENTISA-N	358.463	3.476	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OCc1ccncc1	409367789	KWFYJXFALSZMIH-LDADJPATSA-N	363.417	3.199	50	40	FGGB	
C#CCOc1ccccc1/C=N\NC(=O)c1ccc(OCCC)c(OC)c1	409317247	SYSRBMFEYGPZBP-JCMHNJIXSA-N	366.417	3.260	50	40	FGGB	
O=C(Cn1cnc2ccccc21)N/N=C/c1cc(Cl)cc(Cl)c1O	5572559	DRCIEUJFUBEVGS-IFRROFPPSA-N	363.204	3.199	50	40	FGGB	
Cc1nn(-c2nc3c(Cl)c(Cl)ccc3s2)c(C)c1C(=O)NN	57351368	MONDIAFMFJADDU-UHFFFAOYSA-N	356.238	3.009	50	40	FGGB	
C/C(=N\NC(=O)COc1ccc(C#N)cc1)c1cccc(C(F)(F)F)c1	5504524	CZOCUONXJRBGNY-FSJBWODESA-N	361.323	3.496	50	40	FGGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OC(C)=O)cc1	408817391	VVHIRIKVMXFKFN-LFIBNONCSA-N	350.374	3.475	50	40	FGGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CC1(C)OCCO1	1096396	DLVHIUPGBONXGT-FYJGNVAPSA-N	356.422	3.230	50	40	FGGB	
CCOC(=O)/C(C#N)=C\C=C\C(C)=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	17139588	GHHVSGXYOHXDPS-OVWJBRIVSA-N	372.337	3.388	50	40	FGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccncc2)sc2c1CCCC2	2708533	GKOMVMMEGCBXQP-JLHYYAGUSA-N	367.430	3.354	50	40	FGGB	
CCCC/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccccc1	4458586	ZTMIGYWHURTJAX-PTGBLXJZSA-N	355.413	3.266	50	40	FGGB	
CCc1ccccc1NC(=O)C(=O)N/N=C/c1c(O)ccc2ccccc12	3059542	JOJYQIIWLPQBFV-LPYMAVHISA-N	361.401	3.197	50	40	FGGB	
O=C(NNC(=O)c1ccccc1Br)c1ccccc1Cl	828639	IGXKUPFDIAYRQD-UHFFFAOYSA-N	353.603	3.177	50	40	FGGB	
COC(=O)Cn1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21	871180	RFRDVJFQZGJEMN-RVDMUPIBSA-N	359.385	3.360	50	40	FGGB	
C/C(CC(=O)Nc1ccccc1[N+](=O)[O-])=N\NC(=O)c1ccc(C)cc1	13897628	BDANCHVPDVYOMI-DEDYPNTBSA-N	354.366	3.038	50	40	FGGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(=O)O)cc1	408806587	FQKCQFXOKCZUOC-XNTDXEJSSA-N	366.373	3.013	50	40	FGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc2c(c1)OCO2	4526143	KXMVCAXIRFOYPM-WSDLNYQXSA-N	362.385	3.270	50	40	FGGB	
O=C(N/N=C\c1cc2c(cc1Br)OCO2)c1ccc(F)cc1	4784567	AMRJVBQTSYHFSR-WSVATBPTSA-N	365.158	3.081	50	40	FGGB	
CC(=O)N[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1	68774539	LIPWGEWJMRXDKK-INIZCTEOSA-N	365.355	3.416	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCC#N	409054097	RGCLEZQGIFZDQX-SRZZPIQSSA-N	357.797	3.323	50	40	FGGB	
COc1ccc(Br)cc1C(=O)N/N=C(\C)c1ccc(O)cc1	408710935	YTSUQTPUUYLVCB-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc([N+](=O)[O-])s1	1095713	HMLNMWXJCOZMFO-VXLYETTFSA-N	354.391	3.372	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)/C=C/c2ccccc2)cc1	3296514	ORAHPRBTDPIFAC-NTEUORMPSA-N	352.434	3.224	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccccn2)o1	408723570	WTNVNRIWXKEYOF-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
CCc1cccc(OCC(=O)NN=Cc2ccc(Br)o2)c1	245241805	PORVMQPMUORDAZ-UHFFFAOYSA-N	351.200	3.134	50	40	FGGB	
O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1	3093577	MXVOBYFCNZLAFS-VXLYETTFSA-N	350.205	3.472	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1	6230011	ACXOJYGNFGLCBM-LPYMAVHISA-N	362.385	3.399	50	40	FGGB	
CC(C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@H](Cl)[C@H]1Cl	245238793	AZMWZRYVVDPMLS-CWSCBRNRSA-N	363.628	3.147	50	40	FGGB	
COc1cc(/C=N/NC(=O)CCCC(=O)NC2CCCCC2)ccc1C	3667083	JNAWHOXHYZTGOU-KGENOOAVSA-N	359.470	3.073	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2)cc1	107750144	HKXYERJUHANRCE-STZFKDTASA-N	350.422	3.009	50	40	FGGB	
CCC[C@@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	20000740	GCROYISKKGFJPF-WOJBJXKFSA-N	357.461	3.245	50	40	FGGB	
CCc1sc(C(=O)NNC(=O)c2c[nH]nc2-c2ccccc2)cc1C	8710266	AHZVKRBOVJNJDB-UHFFFAOYSA-N	354.435	3.084	50	40	FGGB	
O=C(NNc1cccc(Cl)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1	30616028	NSJLQNJWYDXZPS-MRXNPFEDSA-N	359.813	3.214	50	40	FGGB	
COc1ccc2nc(NNC(=O)c3cc(=O)c4ccccc4o3)sc2c1	4121395	KGRJLULRWHZYGA-UHFFFAOYSA-N	367.386	3.168	50	40	FGGB	
C[C@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O	102524959	NMBBWGPJVBCVQU-YOEHMKRZSA-N	358.357	3.040	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)ccc1O	3140205	OZGWNRGXTLOFTQ-CIAFOILYSA-N	356.422	3.227	50	40	FGGB	
CCCOc1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1	59401701	RQCSVSBTIPEOMZ-KGENOOAVSA-N	356.422	3.185	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1ccccc1	8971383	GATJTOVQOSPSME-MRXNPFEDSA-N	363.442	3.397	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCCC2)c(C)c1	4083544	QZVIYBQEIHTAEA-HYARGMPZSA-N	367.449	3.133	50	40	FGGB	
Cc1csc(SCC(=O)C(C#N)=C2N(C)c3ccccc3N2C)n1	7221131	KWHACHYDCMZKQN-UHFFFAOYSA-N	356.476	3.434	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccccn2)cc1Br	408742722	SHYDNOPCZKUYEK-YBFXNURJSA-N	360.211	3.173	50	40	FGGB	
Cc1ccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1	408849322	XXEJFNYDBHVHNF-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2cccc(OC)c2)cc1OCC	408839963	DSYOJTNNJBYZSK-KGENOOAVSA-N	354.406	3.423	50	40	FGGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc(OCC)cc1	10475925	PSXAKDYQQLYAPN-HYARGMPZSA-N	370.836	3.444	50	40	FGGB	
C[C@@H](Br)C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)F	103711463	NXKQDJBNKWTMRY-GSVOUGTGSA-N	366.046	3.057	50	40	FGGB	
COC(=O)c1ccc(COc2ccc(/C=C/C(C)=N/NC(N)=O)cc2)cc1	18173729	ZUGCMWAJWNJDAP-DQGRHAAVSA-N	367.405	3.110	50	40	FGGB	
Cc1cc(C)cc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)c1	408969485	OMYSUOHUXIZBKS-VXLYETTFSA-N	374.238	3.155	50	40	FGGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OCCCOc1ccccc1C	4614480	WUVQEJDAKZBQGL-HYARGMPZSA-N	371.437	3.244	50	40	FGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408887932	UWYFKIUTEUYVMT-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
Cc1c(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)cc(C#N)n1C	5938899	CGIZWKFEXQACPE-ZVHZXABRSA-N	372.428	3.401	50	40	FGGB	
CCCC/C(C)=N/NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1	6046460	KFJAFXKULNBBER-XDJHFCHBSA-N	365.499	3.157	50	40	FGGB	
Cc1n[nH]c2c1[C@H](c1cc3cccc(C)c3nc1Cl)C(C#N)=C(N)O2	1223578	QWHOOIXWMABMCJ-CQSZACIVSA-N	351.797	3.446	50	40	FGGB	
C/C(=N\NC(=O)CSc1ccc(C)cc1)c1ccc2c(c1)OCCO2	8515766	CKDZFBTZPLSGHP-XSFVSMFZSA-N	356.447	3.399	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1	1446323	FLNQDMJBAYNJNN-HNNXBMFYSA-N	357.366	3.020	50	40	FGGB	
CC(=O)N[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1	68774542	LIPWGEWJMRXDKK-MRXNPFEDSA-N	365.355	3.416	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cc2c(cc1Cl)OCO2	30819144	WRTMGTPJWVTBKU-GXHLCREISA-N	367.188	3.251	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1O	881123	YIDZQXOTTNQKOL-SRZZPIQSSA-N	356.422	3.362	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	2265787	XKWJUMROWZOPKE-BFNDQCEFSA-N	361.854	3.213	50	40	FGGB	
COc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1022145	YTVMCJZKPMHGQU-BEFAXECRSA-N	360.417	3.297	50	40	FGGB	
COc1ccc(CCC(=O)NNC(=O)c2cc(Cl)ccc2Cl)cc1	3431177	XMKBNIJJIWRONH-UHFFFAOYSA-N	367.232	3.396	50	40	FGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(F)c(F)c1	22649076	RAGPPGLOVQWHDO-UHFFFAOYSA-N	373.384	3.472	50	40	FGGB	
COc1ccc(OC)c([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2)c1	818270	WQCILLDCKGNFCX-KRWDZBQOSA-N	367.430	3.004	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2ccccn2)ccc1OCc1ccccc1	100314052	KYZBRZOQOATRTL-UCQKPKSFSA-N	361.401	3.433	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1	2404728	OFCZOASADBFQRP-RGVLZGJSSA-N	366.333	3.022	50	40	FGGB	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(OC)c(O)c(OC)c1	6489690	ZTZQTPBKKOWEKE-ZROIWOOFSA-N	368.389	3.354	50	40	FGGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccccc2F)cc1	409227503	PQDHCBPZSHOLIC-CIAFOILYSA-N	351.337	3.079	50	40	FGGB	
O=C(N/N=C/c1csc2ccccc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	3084730	QSIVJQKGFXKILH-CAOOACKPSA-N	370.346	3.482	50	40	FGGB	
O=[N+]([O-])c1ccc(OCCBr)c(OCCBr)c1	5248858	QGPHLPRBDBYZSC-UHFFFAOYSA-N	369.009	3.142	50	40	FGGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2	13141597	CNQXYKMZWFRCOK-AWNIVKPZSA-N	351.318	3.178	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1cc(F)cc(F)c1	17072842	SVMONZBZNRSLIL-HNNXBMFYSA-N	351.312	3.024	50	40	FGGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/NC(=S)Nc2ccccc2)cc1	5553267	HIGCXXIHLIOWTJ-FOWTUZBSSA-N	357.460	3.120	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)[C@@H](OC)c2ccccc2)cc1OCC	831067	DMDGQLKNSPFJPG-ORTNRGLGSA-N	356.422	3.322	50	40	FGGB	
CCN1CC=C2[C@H](C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N	971514	VHRXMNZCQHBQEN-WMZOPIPTSA-N	363.852	3.085	50	40	FGGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccncc1	59249914	KHQKUXZQJCMVCE-UDWIEESQSA-N	369.222	3.399	50	40	FGGB	
C/C(NCCc1cccc(F)c1)=C(\C#N)C(=O)NCCc1ccccc1	4786408	WRILVQPUXVVGFG-SILNSSARSA-N	351.425	3.114	50	40	FGGB	
COC(=O)[C@H](C)c1ccc2cc(OC(=O)CBr)ccc2c1	114080627	KTFXVIASZNAEON-SNVBAGLBSA-N	351.196	3.417	50	40	FGGB	
COc1ccc(NC(C)=O)cc1P(=O)(c1ccccc1)c1ccccc1	33354147	UJVCZILEESTRPU-UHFFFAOYSA-N	365.369	3.293	50	40	FGGB	biogenic
CCn1c(C)nc2cc(C(=O)NNC(=S)Nc3ccc(F)cc3)ccc21	13686133	FVFQBVARJKOEFR-UHFFFAOYSA-N	371.441	3.135	50	40	FGGB	
CC(C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@@H](Cl)[C@H]1Cl	245238794	AZMWZRYVVDPMLS-KWBADKCTSA-N	363.628	3.147	50	40	FGGB	
N#CC1=C2SC[C@](O)(c3ccccc3)N2C(=O)C[C@H]1c1cccs1	1066281	RBQXDCBQVOXYDO-ACJLOTCBSA-N	354.456	3.391	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)c1ccc(O[C@@H](C)c2ccccc2)nc1	40128908	ZIPUVYGJSDGZNO-ZDUSSCGKSA-N	365.389	3.198	50	40	FGGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(CN2CCOCC2)cc1	23358549	WYVZFDUNMWBWKQ-LFVJCYFKSA-N	373.456	3.436	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2cccc(Br)c2)cc1C	59391841	FTDQWEYTEICFBS-VXLYETTFSA-N	374.238	3.155	50	40	FGGB	
COc1cc(/C=C(/C#N)C(N)=S)ccc1OCc1ccc([N+](=O)[O-])cc1	13635744	FJLKNNXRMKYXQL-ZSOIEALJSA-N	369.402	3.375	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(CC)cc2)CC(=O)N1	9110446	FHLVDIPJFQETAJ-OAHLLOKOSA-N	358.463	3.274	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	9190482	UBAZVALQSNTAPH-AYPRBGQRSA-N	371.393	3.343	50	40	FGGB	
CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	4953762	FCLRSIXNWLSZCE-NTEUORMPSA-N	351.318	3.066	50	40	FGGB	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1	40158857	RYNVSLDYBBSEFL-BRSBDYLESA-N	356.372	3.019	50	40	FGGB	
NC(=O)N/N=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1	41074139	SPNFTEAPZVXZNV-DNTJNYDQSA-N	368.271	3.408	50	40	FGGB	
CCOc1cccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)c1O	2297890	RNFBTFZXFIISII-CIAFOILYSA-N	356.422	3.443	50	40	FGGB	
CCOc1cc(C(=O)N/N=C/c2cccnc2)cc(OCC)c1OCC	3474625	IKJYNFLTLOIAGO-FYJGNVAPSA-N	357.410	3.042	50	40	FGGB	
O=C(I)C(F)(F)C(F)(F)C(F)(F)C(F)F	2530892	JWVQIGLCDUFCNM-UHFFFAOYSA-N	355.950	3.119	50	40	FGGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	672122	RORDGNZPEXKZBI-VXLYETTFSA-N	374.784	3.361	50	40	FGGB	
O=[N+]([O-])c1c(C(Cl)Cl)nn(-c2ccccc2)c1N1CCOCC1	4475635	TVKIFWGGHSGRPZ-UHFFFAOYSA-N	357.197	3.093	50	40	FGGB	
Cc1nc(C(C)(C)C)nc2sc(C(=O)NNC(=O)CC(C)C)c(C)c12	22508100	VPKAPHSBFDJGCB-UHFFFAOYSA-N	362.499	3.413	50	40	FGGB	
Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(C)c2)cc1	4355154	MAAQIDCQJHBZHF-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
CCOC(=O)[C@@H](/C(C)=N/NC(=O)c1cc2ccccc2cc1O)C(C)C	4616956	VLRNQDIVPJWWFC-KOMLCTQHSA-N	356.422	3.486	50	40	FGGB	
Cc1ccccc1NC(=O)N/N=C\c1ccc(OCC(=O)OC(C)C)cc1	409186295	ABFGCNJZWQXAJK-MTJSOVHGSA-N	369.421	3.481	50	40	FGGB	
CCOc1ccccc1C(=O)OCC(=O)C(C#N)=C1Nc2ccccc2N1	7509665	OWCVWBIRXMIREZ-UHFFFAOYSA-N	363.373	3.084	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1	408801754	VPGYDWLKWDYWOE-KOOCRQNMSA-N	370.449	3.230	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1	408886111	DKXGXMFUSALFBZ-GXDHUFHOSA-N	366.377	3.215	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)ccc1O	408785906	JOASFUMLMSEREN-PTNGSMBKSA-N	351.406	3.403	50	40	FGGB	
C[C@H](Oc1ccc(Br)cc1)C(=O)N/N=C\c1ccccc1O	82064125	YIETXMNRHGUAJJ-TZQXVGBESA-N	363.211	3.072	50	40	FGGB	
Cc1cc(=O)[nH]c(SC[C@H](CCl)Sc2ccc([N+](=O)[O-])cc2)n1	94992770	CVQBSYSGELFQGA-LBPRGKRZSA-N	371.871	3.478	50	40	FGGB	
CCc1sc(C(=O)N/N=C/c2c(C)nn(C)c2F)cc1Br	252482235	DBFMFPQBLSXMMX-OMCISZLKSA-N	373.251	3.018	50	40	FGGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1	7157998	CWBMUVJXVQJBBK-WKMQTEFXSA-N	353.466	3.125	50	40	FGGB	
COc1cc(Cl)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1O	7385424	YLVMRSQZKLLBRF-CIAFOILYSA-N	373.840	3.418	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1	5590825	NXOUGOZFUNEVPH-QNGOZBTKSA-N	366.421	3.278	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccc2c(c1)OCO2	718538	AZHVDZMBWBXYHN-AWEZNQCLSA-N	364.386	3.085	50	40	FGGB	
O=C(/C=C/c1ccc(Br)c(Cl)c1)NNC(=O)c1ccco1	12599767	DAKSWCSXQVZWEY-GQCTYLIASA-N	369.602	3.170	50	40	FGGB	
Cc1c(NC(=O)C(C#N)=C2CCCCC2)c(=O)n(-c2ccccc2)n1C	3272784	XJXJMRRCURWSLA-UHFFFAOYSA-N	350.422	3.207	50	40	FGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@@H]1CC=CCC1	12993559	QFIBRFSKZDUIQL-QGZVFWFLSA-N	350.418	3.236	50	40	FGGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCC(=O)OC(C)C)=C2C#N)cc1	4156204	YAQUWGJPKLPVID-HNNXBMFYSA-N	374.462	3.109	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408677952	WJVXQHGJJUBALK-PXLXIMEGSA-N	367.449	3.458	50	40	FGGB	
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@H](CBr)O[C@H]2C1	91302784	PYESLKOIIXXBHE-KFWWJZLASA-N	354.244	3.198	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)ccc1O	3038811	YRYSOBGJSUSQBT-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
O=C(O)CS[C@@H](NNC(=O)c1ccccc1Cl)c1ccccc1	16758388	JCOARPABALKPOS-MRXNPFEDSA-N	350.827	3.091	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(OC)c1	3091925	HZRPFFMGFILMNB-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2C)cc1	108923873	BHWUSKLTVLQWFN-HMAPJEAMSA-N	364.449	3.318	50	40	FGGB	
CCc1cc(C(=O)NNC(=O)CNc2nc3ccccc3s2)sc1C	12568346	IWJQZJFUMJQQOA-UHFFFAOYSA-N	374.491	3.102	50	40	FGGB	
O=C(Cc1cn2ccsc2n1)NN=C1c2ccccc2-c2ccccc21	12564177	CZAQHGJKFYRSBQ-UHFFFAOYSA-N	358.426	3.488	50	40	FGGB	
CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)NNC(=O)c2csc3ccccc23)C1	4651618	ZLPFULBYYWFGQN-UONOGXRCSA-N	372.446	3.110	50	40	FGGB	
NC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	408884151	XVIXZZWNWPPXIB-UFWORHAWSA-N	352.177	3.215	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](C)SCc1ccccc1	20248996	IHWMHGAABMPZCH-MDBUFAAASA-N	373.434	3.375	50	40	FGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1sc(N)c(C#N)c1C	843044	KTWMRVWOBWJRDW-LSHDLFTRSA-N	364.430	3.436	50	40	FGGB	
COC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@@H]2[C@@H]1c1ccccc1F	102668439	OPPKVTVGKRAZTG-ZLXGRDSLSA-N	351.381	3.069	50	40	FGGB	
Cc1cc(C)n(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)n1	2629700	NYCNOTGHTXEISL-UHFFFAOYSA-N	368.824	3.217	50	40	FGGB	
O=C(NNC1=NCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1	6017365	RGFJVDSWBLZJMZ-UHFFFAOYSA-N	365.462	3.282	50	40	FGGB	
COc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1[N+](=O)[O-]	7779032	YGQGLRMFEJIHSB-UHFFFAOYSA-N	355.272	3.379	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N2CCCCC2)cc(Br)c1O	16733651	DPDKZERJJLIWIT-KPKJPENVSA-N	365.227	3.083	50	40	FGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1cccs1	408604399	IOPAEXDFEZCDAX-AWEZNQCLSA-N	373.507	3.001	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)cc1	2805819	DPHYQBHXGUFBNN-GHRIWEEISA-N	363.417	3.475	50	40	FGGB	
CSc1ncc(Cl)c(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)n1	104832255	RSCRJPMKPVUNHI-OQLLNIDSSA-N	357.826	3.332	50	40	FGGB	
CN(C)c1ncnc2c1NC1=C(S2)C(=O)CC(C)(C)[C@H]1Br	5302757	KLIJGARJVNICGS-NSHDSACASA-N	369.288	3.034	50	40	FGGB	
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)ccc1O	408787026	PSFQHFBJWVFECD-SILNSSARSA-N	373.456	3.376	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	35189316	XAGQIVHFTFESDH-AWQFTUOYSA-N	367.283	3.012	50	40	FGGB	
Cc1cc(C)[n+]2c(c1C#N)S[C@@H]1CCC[C@@H](I)[C@H]12	36020631	OFJPIICYBRJOKX-JHJVBQTASA-N	371.267	3.466	50	40	FGGB	
NC(=O)Cn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21	33661007	KGESEURXRCTVCH-WYMPLXKRSA-N	370.412	3.044	50	40	FGGB	
COc1ccc(C(=O)/C(C#N)=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	72120194	YNYQCKZKRKQZGN-QPEQYQDCSA-N	354.318	3.107	50	40	FGGB	
COC(=O)/C(=N/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)CCl	1465803	HAIUZPOTWCJCPK-VXLYETTFSA-N	357.115	3.108	50	40	FGGB	
O=C(CCCCCC(=O)N/N=C1\C[C@@H]2CC=C[C@H]12)N/N=C1\C[C@H]2CC=C[C@@H]12	13969952	SXKAAWNQVZBUID-QLRPNSKKSA-N	368.481	3.073	50	40	FGGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1nccs1)O[C@@H](C)C2	5070375	GQLPKXVRHRNUAI-NGPAHMQLSA-N	355.419	3.411	50	40	FGGB	
Cc1nc(C)c(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)s1	53656885	FTORAHSSFKONPX-UHFFFAOYSA-N	372.475	3.267	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OCC	800602	LNMHVPZYFVNTMN-LJQANCHMSA-N	352.390	3.408	50	40	FGGB	
Cc1onc(-c2ccccc2Cl)c1C(=O)NNC(=O)c1ccccc1	2555601	URKKMRRJCBBALC-UHFFFAOYSA-N	355.781	3.378	50	40	FGGB	
CCCCC(=O)N/N=C/c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1	4474590	FYZKIRSFOYEWPJ-XSFVSMFZSA-N	374.462	3.403	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc(OC)c1OC	4827402	ZUYPOVRZEJYHQH-KEBDBYFISA-N	362.813	3.438	50	40	FGGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(OCC(=O)OC(C)C)cc2)c1	409188171	XAWBIAAEBHWXRW-MTJSOVHGSA-N	369.421	3.481	50	40	FGGB	
C=CCOc1ccc(/C=N\NC(=O)c2ccc(OCC)c(OC)c2)cc1	409309870	NKRQWWSVWIAQDI-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
C/C(=N/NC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1ccco1	33330247	HJCXLBKTYOHPAQ-UCQKPKSFSA-N	359.389	3.232	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])ccc2Cl)cc1	16216759	IXKOKUXLXNKCLK-ZSOIEALJSA-N	371.780	3.480	50	40	FGGB	
COc1ccc([C@H](C)NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	5413413	DAUJZNXEPMBLBY-NSMHLIOHSA-N	367.449	3.146	50	40	FGGB	
O=C(N/N=C/c1ccccc1O)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	6813658	MRQFMQXSJRTRQQ-WSDLNYQXSA-N	364.449	3.347	50	40	FGGB	
Cc1ccc(O[C@H](C)C(=O)NN=Cc2ccncc2)c(Br)c1	8556673	NQZSJCAJQMVUJS-GFCCVEGCSA-N	362.227	3.070	50	40	FGGB	
Cc1ccc(S(=O)(=O)NNC(=O)Cc2cccc3ccccc23)cc1C	12797112	JFIJSLYNQDMJQP-UHFFFAOYSA-N	368.458	3.009	50	40	FGGB	
COc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCC2)cc1	4113498	KDJFXOXTYUWTHH-UHFFFAOYSA-N	356.344	3.279	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2ccco2)c(C)n1[C@@H](C)c1ccccc1	24560620	LRPOEBBNNBXKEY-AWEZNQCLSA-N	351.406	3.382	50	40	FGGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)NCc1ccccc1	409094111	CVAFPZBSJLNXMH-ZHZULCJRSA-N	361.445	3.055	50	40	FGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(O)cc1	3538338	SWVLYUSLJXZASM-SRZZPIQSSA-N	368.824	3.363	50	40	FGGB	
O=c1c2ccccc2nc(CBr)n1-c1ccc([N+](=O)[O-])cc1	652785	KRJCGKWQFWJXOU-UHFFFAOYSA-N	360.167	3.189	50	40	FGGB	
O=C(N/N=C1\[C@@H]2[C@H]3[C@H]4[C@@H](Br)[C@@H]5[C@@H]3C[C@@H]2[C@@H]5[C@H]14)Nc1ccccc1	104202644	FBZBNONCKRZHGH-SLFUFWANSA-N	372.266	3.315	50	40	FGGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCOC)c2C)cc1	28355825	CYTLFLBAFKGZHW-QGOAFFKASA-N	367.449	3.162	50	40	FGGB	
CCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccc(OC)cc1OC	408872681	ODSLYDUXEXWWBU-GZTJUZNOSA-N	366.417	3.326	50	40	FGGB	
O=C(N/N=C(\CC(=O)c1cccs1)C(F)(F)F)c1ccc(O)cc1	13143039	UFMIPJUDYFSBAO-CPNJWEJPSA-N	356.325	3.375	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(C(=O)O)cc1	4499582	YZEYCNXSBJDXRG-UFFVCSGVSA-N	350.296	3.096	50	40	FGGB	
COc1ccc([C@H]2NC(=O)C(C#N)=C(S)N2c2ccccc2C)cc1	959658	GZSAQXRFAVSGQL-KRWDZBQOSA-N	351.431	3.304	50	40	FGGB	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	84008319	OQNATUXMMOKMOD-UHFFFAOYSA-N	372.513	3.232	50	40	FGGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	408818322	VCVOGVWMJSFCHC-FOWTUZBSSA-N	362.385	3.261	50	40	FGGB	
CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)c1cccc(Br)c1	13601111	ZHWKHAAJKAQVLB-NWRYFCBHSA-N	355.232	3.144	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSCc2ccccc2)cc(OC)c1OC	5357294	FUGYPGBCYPZAQR-RGVLZGJSSA-N	374.462	3.096	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Br)ccc1F	1097811	LWUDEDSOKGUBEM-CQSZACIVSA-N	363.186	3.403	50	40	FGGB	
O=C(CCl)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl	3885256	MPNCJFUFNVEQEC-UHFFFAOYSA-N	365.282	3.082	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1	409097969	OKWWPHAOCNAXNH-UDWIEESQSA-N	356.357	3.098	50	40	FGGB	
COC(=O)c1ccc(N(/N=C2\Sc3ccccc3C2=O)C(C)=O)cc1	12561981	ZQLGHTSBIPZBAW-ZPHPHTNESA-N	354.387	3.128	50	40	FGGB	
COc1cc(OC)cc(C(=O)NNc2nc3c(OC)ccc(C)c3s2)c1	4121470	PWQUBEYVYJACKP-UHFFFAOYSA-N	373.434	3.387	50	40	FGGB	
CCC/C(=N\NC(=O)CNC(=O)c1ccc(Cl)cc1)c1ccccc1	4458579	IVBNATUAUYUVAL-OQKWZONESA-N	357.841	3.390	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC	59447278	QKBQSRRLININMG-XDHOZWIPSA-N	357.366	3.074	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccc(C)cc2C)cc1[N+](=O)[O-]	20195460	CSXCKPKWPSRNSO-UDWIEESQSA-N	355.394	3.303	50	40	FGGB	
COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)CCl)cc1	9304393	JMPGVMFOWRZZQZ-UHFFFAOYSA-N	356.809	3.309	50	40	FGGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)NC3)c1C	96313995	GQHICHKTWVBANY-RQZCQDPDSA-N	362.433	3.304	50	40	FGGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	409380755	HRZGFNKHFUYJQT-CIAFOILYSA-N	370.409	3.227	50	40	FGGB	
O=C(CC(=O)N/N=C/c1ccc(Cl)cc1Cl)NCc1ccccc1	3057590	DPSDKSWTOYYVTQ-SRZZPIQSSA-N	364.232	3.150	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)=O)c(OC)c1	6822266	SNHYLAVOCIQZGZ-XNTDXEJSSA-N	366.373	3.175	50	40	FGGB	
O=c1c2c3c(sc2nc2n1C[C@H](CBr)S2)CCCC3	1573396	VSPIOTMBCZABLF-ZETCQYMHSA-N	357.298	3.206	50	40	FGGB	
CCCOc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2OC)cc1	20198162	NTVJVHRSHRWPPK-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)C1=NN(c2ccccc2)[C@@H](N)[C@@H]1C#N	408844324	HZLHZIXJZKCRAJ-AUADNBFCSA-N	372.432	3.088	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	408798302	VYRBNPDCVFXRSF-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
CCO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C\c1ccc(OC)c(OC)c1	32216639	TZVCISFOGADYKA-CUWVFCPNSA-N	368.433	3.106	50	40	FGGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc([N+](=O)[O-])c1O	408565838	BBMUEBNTZFNXNA-WMZJFQQLSA-N	354.297	3.389	50	40	FGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccc(Cl)cc1	59516284	YTBSNDGBRTVMQR-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
CC(=O)N/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1	4545329	QBVLRNDXJIAUKW-KEBDBYFISA-N	372.222	3.370	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc([N+](=O)[O-])s1	4515189	QXKWBKDTBHDXDC-OVCLIPMQSA-N	368.212	3.112	50	40	FGGB	
C=CCn1c(-c2ccc(C)cc2)cs/c1=N\NC(=O)c1ccncc1	4856784	SZKREQABJBXRJA-QOCHGBHMSA-N	350.447	3.352	50	40	FGGB	
CC1=NN(c2ccccc2)[C@@H]2OC(N)=C(C#N)[C@H](c3ccc4c(c3)OCO4)[C@@H]12	222045423	LFEYLUPXCSUZMC-SVFBPWRDSA-N	374.400	3.061	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4C)ncnc32)cc1C	17135863	SLOYXQZAUZIMLZ-UHFFFAOYSA-N	372.432	3.498	50	40	FGGB	
CCOc1cc(C(=O)NN)ccc1OC(=O)c1cccc2ccccc12	226305939	MCVZPVSLUYAGFT-UHFFFAOYSA-N	350.374	3.061	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1	1431142	HRMFLOFEJVFDHI-YDZHTSKRSA-N	361.401	3.189	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)c(O)c1	3572258	AKQJTKGKVSLJPR-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)o1	408999659	XCZNCPJAHQDWPT-GIJQJNRQSA-N	351.859	3.383	50	40	FGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408532606	QMEJJBCNAPMQLA-CIAFOILYSA-N	364.357	3.174	50	40	FGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2s1	33397182	RBXVSYWBOQKWJH-RQZCQDPDSA-N	370.346	3.482	50	40	FGGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc2c(c1)OCCO2	33737607	PWJILXSHJLNWRE-LPYMAVHISA-N	362.385	3.384	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSc2cccc3cccnc23)c1	1027890	YIXAOCWRGPSSCX-CIAFOILYSA-N	351.431	3.486	50	40	FGGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(C#N)cc2F)cc1	1052781	URXZSLZBTNRFDQ-YDZHTSKRSA-N	362.364	3.261	50	40	FGGB	
CCOc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	14162559	VLYQUUGYLZAARL-KRWDZBQOSA-N	360.369	3.410	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl	664304	ICQOZJWTVIQUEO-QGZVFWFLSA-N	356.765	3.295	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccccc1Cl	1479722	FKPDCZDEGDZORD-UHFFFAOYSA-N	353.205	3.142	50	40	FGGB	
COc1ccc(CNC(=O)[C@H](Br)CCCCl)cc1OC	2317317	NZZYVHREXMZJDL-LLVKDONJSA-N	364.667	3.103	50	40	FGGB	
CCCCCCOc1ccc(N/C=C(\C#N)C(=O)N2CCOCC2)cc1	4342065	AZPZZRMNLAZOJJ-WUKNDPDISA-N	357.454	3.324	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)cc1	4705355	PXJBTEZUQVCRHP-RVDMUPIBSA-N	366.373	3.094	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cn(CC#N)c3ccccc23)cc1	408815054	RJSVDOORJYAFRH-ATVHPVEESA-N	370.412	3.397	50	40	FGGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccccc1O	16102140	XEJDEDLKZCKXSV-XQNSMLJCSA-N	360.413	3.169	50	40	FGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2cc([N+](=O)[O-])ccc2o1	408963100	MNFNNPJJIUDFDS-RQZCQDPDSA-N	354.278	3.013	50	40	FGGB	
CC/C(=N\NC(=O)c1cc(OC)cc(OC)c1)c1ccc(OC)cc1OC	408710617	RXGNEZAKOFGOMR-DYTRJAOYSA-N	372.421	3.265	50	40	FGGB	
CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccc2c(c1)OCCO2	5222604	CICMLNOETXYLTP-VDIBOKMOSA-N	367.361	3.185	50	40	FGGB	
Cc1c(Cl)cccc1NC(=O)CCC(=O)N/N=C/c1ccccc1O	3101372	PESKVPOCXXSBFJ-RGVLZGJSSA-N	359.813	3.223	50	40	FGGB	
CC(=O)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4953619	ASWCUMDCDGUIMX-XNTDXEJSSA-N	365.345	3.374	50	40	FGGB	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)C1CCCCC1	6885679	RMMONUJNPRSNEG-UHFFFAOYSA-N	352.434	3.460	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1OC	66202149	GFNZGHFOGLGBPG-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
COc1ccc(C2=CC=C(C#N)C3=S=C(c4ccccc4)C(=O)N23)cc1	409415829	YEJRRYOYZRZYEG-UHFFFAOYSA-N	358.422	3.426	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	1098921	NROJMMPPRDKQHR-VCHYOVAHSA-N	361.195	3.138	50	40	FGGB	
O=C(CCl)N1CCC(CC2(c3cc4ccccc4[nH]3)OCCO2)CC1	1762369	ZDBXPCMQPPNYOV-UHFFFAOYSA-N	362.857	3.235	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC	6586236	MTXJSILOMHNCBL-BIRNAEHNSA-N	358.438	3.314	50	40	FGGB	
Cc1cccc(NC(=O)[C@H](C)SC2=C(C#N)C(C)(C)[C@H](C#N)C(=O)N2)c1	7581745	DFTVJKQPWYDJCF-GXTWGEPZSA-N	368.462	3.086	50	40	FGGB	
Cc1nc(N)sc1C(=O)N/N=C/C=C1\N(C)c2ccccc2C1(C)C	42675751	IJWBWMCOULBVHX-BCMZXQDXSA-N	355.467	3.061	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1c(F)cccc1Cl	5467273	IRASELNXMMRAQM-KEBDBYFISA-N	350.777	3.407	50	40	FGGB	
CCC(=O)Oc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1OC	33575470	KAXOOPMGKFQHHU-PTNGSMBKSA-N	366.421	3.393	50	40	FGGB	
COc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	5171610	LAXGGRHVHROMLY-UHFFFAOYSA-N	354.193	3.469	50	40	FGGB	
CC(C)C[C@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19200171	DPZXKVAWYKKGOL-RTWAWAEBSA-N	371.488	3.491	50	40	FGGB	
COc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1022147	YTVMCJZKPMHGQU-KXBFYZLASA-N	360.417	3.297	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1C(=O)OCc1ccccc1	2022300	GXUFIJVKXYWCAO-QGZVFWFLSA-N	370.361	3.301	50	40	FGGB	
CCCCC(=O)NNC(=S)NC(=O)c1sc2ccccc2c1Cl	2690755	JYIJWQLDXJVQQD-UHFFFAOYSA-N	369.899	3.380	50	40	FGGB	
Cc1ccccc1OCC(=O)NNC(=O)C(c1ccccc1)c1ccccc1	668293	XYXPDIMCJHJYDD-UHFFFAOYSA-N	374.440	3.353	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(O)c2ncccc12)c1cccc(Cl)c1	59459150	VCYAFLSPVHGIFW-AWQFTUOYSA-N	370.752	3.266	50	40	FGGB	
CC(C)c1ccccc1OCC(=O)NNC(=O)c1cc2c(s1)CCC2	14245492	RLQRBAVZPUPJFE-UHFFFAOYSA-N	358.463	3.200	50	40	FGGB	
Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)[C@@]1(C)CC1(Cl)Cl	17074335	IGCWYXAELXOZRP-CYBMUJFWSA-N	360.628	3.005	50	40	FGGB	
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1	408821324	GGIPBKPADVJYHL-HYARGMPZSA-N	360.417	3.183	50	40	FGGB	
COc1cc(SC)ccc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	5065585	KLYCZVLIGAQWIA-UHFFFAOYSA-N	374.506	3.395	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)C(C)C)c(C)n1CC(C)C	5180740	PXQZJKFGINZSFH-LEKRSAHOSA-N	373.497	3.372	50	40	FGGB	
CCCSC1=C(C#N)[C@@H](c2ccccc2Cl)[C@H](C(=O)OC)C(=O)N1	12249944	WJFZJNGNMJQDSB-KGLIPLIRSA-N	364.854	3.221	50	40	FGGB	
COc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1Cl	59516282	UWCDHRTVJMXTCR-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(O)c1	9668351	FDHRTYMNLWMGBL-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(O)ccc2ccccc12	408568859	XCWFMVUDMAYSCC-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
Cc1ccccc1SCC(=O)NNC(=O)CSc1ccccc1C	40158847	HGAZHVFONHVPJF-UHFFFAOYSA-N	360.504	3.335	50	40	FGGB	
O=C(N/N=C\c1cc(Cl)ccc1O)N/N=C\c1cc(Cl)ccc1O	83329749	GVQSCQWJYFUCAD-DZWUWFSDSA-N	367.192	3.072	50	40	FGGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(S(=O)(=O)CCCCC#N)C1	585138629	SFJCIVWYSLKYAD-OAHLLOKOSA-N	360.596	3.496	50	40	FGGB	
O=C(N[C@H](C(=O)N/N=C/c1ccccc1)c1ccccc1)c1ccccc1	3112275	HZZNBCHUDXPGEV-NGIIGVMLSA-N	357.413	3.308	50	40	FGGB	
C/C(=N\NC(=O)[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1	4863587	STHPUSNGKMUUPG-CNPYVQQSSA-N	364.323	3.386	50	40	FGGB	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1cccnc1	27764395	VMTHIYGRJUROGP-UHFFFAOYSA-N	372.837	3.242	50	40	FGGB	
CC(C)CC[C@@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2345275	MNQBCAUWPBJBOY-QWHCGFSZSA-N	368.861	3.264	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2cc(Br)cc(Cl)c2O)cn1	13894531	UKVIIXGZHPZPLQ-WSVATBPTSA-N	368.618	3.275	50	40	FGGB	
O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)c1cc2cc(Cl)ccc2o1	409021593	PCRAVKRJQKBELH-LSCVHKIXSA-N	359.725	3.464	50	40	FGGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2ccccc2)cc1	409187154	MVGJLLQYMIAJRH-NDENLUEZSA-N	355.394	3.173	50	40	FGGB	
CCCOc1cccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)c1	216957044	SOUJXXYHABXFDP-UHFFFAOYSA-N	351.406	3.031	50	40	FGGB	
COc1ccccc1NS(=O)(=O)c1cc(NC=C(C#N)C#N)ccc1C	5261912	MDZYHLGMQUBAMX-UHFFFAOYSA-N	368.418	3.147	50	40	FGGB	
C[C@@](CBr)(NS(=O)(=O)c1ccccc1)c1ccccc1	3201701	ZJGBUDDQIQKFNN-HNNXBMFYSA-N	354.269	3.275	50	40	FGGB	
CCOC(=O)[C@@H](Br)[C@@H](C(=O)OCC)c1ccc(Cl)cc1	8228012	VMPYETDOBTXFSF-RYUDHWBXSA-N	363.635	3.313	50	40	FGGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)NC[C@H]1CCCO1	27024814	BCKFUPVRJBWFBE-IDKBZEPQSA-N	367.361	3.057	50	40	FGGB	
COc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	59459585	XWOGSOPIRIORAZ-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(N)=O)c(Cl)c2)cc1OC	408580150	AMIRVXNHIBXHCN-VGOFMYFVSA-N	372.808	3.285	50	40	FGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)n1	8336682	YXNNJJFTDGOANN-DNTJNYDQSA-N	368.384	3.355	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccc(Br)c1	226366571	VLTHGYQVDAMHPN-UHFFFAOYSA-N	372.222	3.004	50	40	FGGB	
COc1cc(OC)cc(C(=O)NNc2nc3c(OC)cccc3s2)c1	4121311	HCWSSIBWLORELV-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
O=C(CCN1CCN(c2ccccc2)CC1)NN=C1CCCCCCC1	6369235	CUNVEBPKBMWQNT-UHFFFAOYSA-N	356.514	3.415	50	40	FGGB	
O=C(NCCOc1ncccc1Cl)[C@@]12CC[C@@H](C[C@H]1Br)C2	108488583	DNHZRKZGNKFRKE-JVLSTEMRSA-N	373.678	3.184	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2c(C)nn(-c3ccccc3)c2Cl)cn1	4724717	SJXOQHTVKIJKIK-NHDPSOOVSA-N	353.813	3.301	50	40	FGGB	
C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1	4888930	RFFARASQSDYGOG-YBFXNURJSA-N	370.390	3.369	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)NCCCc1ccccc1	409243406	YJKVXYIDVXMHFH-ATVHPVEESA-N	365.389	3.259	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408807484	CRYXAFZNBIQUFB-XDHOZWIPSA-N	351.450	3.381	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc(Cl)c1O	408598487	BKLQUAFFLIOXFH-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
CSc1ccc(N2C[C@@H](C(=O)NNc3ccc(F)cc3)CC2=O)cc1	40051319	HYJCJZPNYOOEAA-LBPRGKRZSA-N	359.426	3.044	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(NC(=O)c2ccccc2)cc1	1104516	LFWHRYIEROXLFP-HYARGMPZSA-N	359.385	3.408	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	59133425	HLMKKJZOWNQDJL-AYCSXLNKSA-N	366.417	3.497	50	40	FGGB	
CCOC(=O)[C@H](CC)/C(C)=N/NC(=O)c1cccc(Br)c1	4178045	ZHWKHAAJKAQVLB-VGSSETLESA-N	355.232	3.144	50	40	FGGB	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1	4568522	LSQBIDMCWBHEPK-KRWDZBQOSA-N	374.440	3.433	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2Cl)cc1	4723469	IXKOKUXLXNKCLK-RIYZIHGNSA-N	371.780	3.480	50	40	FGGB	
CCOc1ccc(/C=C2/C(=N)N(c3ccccc3)C(=O)C(C#N)=C2N)cc1	16689354	PWOMRKSTCWHPKX-CYPXAJCBSA-N	358.401	3.229	50	40	FGGB	
Cc1c(C(=O)NNC(=O)/C=C/c2c(F)cccc2F)oc2ccccc12	46565282	MHMLJLFEVPRINA-MDZDMXLPSA-N	356.328	3.494	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Br	408598559	DJQPLOGVMHQOMV-RQZCQDPDSA-N	362.183	3.430	50	40	FGGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C1/C(=O)N(C)c2ccccc21	409346733	LFDUTMJEYDGSGR-BOZGJOGLSA-N	373.865	3.318	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccc(Br)cc2)c1OC	3167462	VVQOWVQAXNWZNT-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
Cc1c(C(=O)NNC(=O)NCCc2cccc(F)c2)oc2ccccc12	32779711	HYNUMCLMCVMTKK-UHFFFAOYSA-N	355.369	3.067	50	40	FGGB	
CCc1cc2cc(C)c(C)cc2nc1SCC(=O)NNC(=O)C(C)C	4849438	RASAOLSDBNHYFO-UHFFFAOYSA-N	359.495	3.310	50	40	FGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	6620231	JIVOXXUHLWTCCW-RGEXLXHISA-N	369.424	3.446	50	40	FGGB	
COc1ccc(-c2[nH]nc3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)cc1	803944	JYAJWPPKNBDODO-MRXNPFEDSA-N	362.364	3.443	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)CCCSc1ccc(Cl)cc1	104335742	DIWYMOKJEXAZQF-KAMYIIQDSA-N	352.843	3.081	50	40	FGGB	
CN(NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)c1ccccc1	58394311	MHKDHQFOYGOJPY-QGZVFWFLSA-N	359.429	3.360	50	40	FGGB	
C[C@]12CC[C@@]3(O)[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@H]1CC[C@]2(O)C#N	70670227	LKEPHUQNDKLJEI-AGMHDLFCSA-N	373.493	3.062	50	40	FGGB	biogenic
CCOc1cc(/C=N/NC(=O)OC)ccc1OCc1ccccc1[N+](=O)[O-]	4525994	SLWOIYIBSCEBPI-YBFXNURJSA-N	373.365	3.262	50	40	FGGB	
N#Cc1cc(Cl)nc(NNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1	93546908	AILSUTNHGWKCCT-KXBFYZLASA-N	352.825	3.344	50	40	FGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1	408806712	BJFZXGBYQVWNLP-PQTFEYQYSA-N	367.243	3.288	50	40	FGGB	
CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1cccc([N+](=O)[O-])c1	4402025	LONARXSVOVWCCN-FYJGNVAPSA-N	368.393	3.292	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c1	32579636	VIIWHLFNXMJGFW-KEBDBYFISA-N	362.813	3.195	50	40	FGGB	
COc1cc(Br)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1O	409192186	VIVLAGIVVUKPGQ-WDZFZDKYSA-N	365.227	3.129	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)Nc1ccccc1C	408743494	GDKZAGOSYJDRIG-XSVZSIDJSA-N	358.401	3.422	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1	409117467	NTGQDXOOUBWDHU-MQMKENTISA-N	356.447	3.413	50	40	FGGB	
Cc1cccc(OCc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)o2)c1	252481106	CHTWXAFSYFGWDK-UFFVCSGVSA-N	370.384	3.112	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1Br	672584	ZHXDCPWWPFBLLG-VXLYETTFSA-N	358.195	3.093	50	40	FGGB	
CCCc1n[nH]c2c1[C@@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2	4312354	GPJGTAXOUCFKPH-ZDUSSCGKSA-N	364.327	3.479	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CC3)o2)cc1	6942692	YIGCWQLJJUCVHN-RVDMUPIBSA-N	350.374	3.309	50	40	FGGB	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1C	2147638	CXSLHKXXXIFEBR-UDWIEESQSA-N	368.393	3.081	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@@H](c2ccccc2C)CC(=O)N1	9015375	BXYMMSPPJIWQHT-OAHLLOKOSA-N	358.463	3.410	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(/C#N)c1nc2ccc(OC)cc2[nH]1	409389940	BAUGOZQDHMXNQU-ZROIWOOFSA-N	363.373	3.187	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOCC3)c2C)cc1C	409006788	KZQAKNBTNKVWDA-DEDYPNTBSA-N	363.461	3.477	50	40	FGGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)cc1	9013722	WTWAJSYEEKGNOI-CQSZACIVSA-N	367.430	3.299	50	40	FGGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)cc1[N+](=O)[O-]	408723096	NAAFOGKYGMLXSE-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c1	4953733	SNCAAPGPMGLSGK-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCCC2)o1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408844587	HZLHZIXJZKCRAJ-MFSFNIDZSA-N	372.432	3.088	50	40	FGGB	
COc1cc(C(=O)NN=C2C3CC4CC(C3)CC2C4)cc(OC)c1OC	5661097	PVFICPOLRURVDX-UHFFFAOYSA-N	358.438	3.254	50	40	FGGB	
O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cccs1	5635900	RYHAFRLSUJMVEW-UHFFFAOYSA-N	374.425	3.433	50	40	FGGB	
CC(C)(C)OC(=O)[C@@H]1C[C@H](Br)CN1C(=O)OC(C)(C)C	38531575	LANIUDVCQHPROA-UWVGGRQHSA-N	350.253	3.101	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)c(C)c1	853170	XCVWABSUYFCVKS-LPYMAVHISA-N	369.465	3.314	50	40	FGGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccccc1C(C)C	15423166	WVNHKRYMHHCSLE-CYBMUJFWSA-N	355.276	3.428	50	40	FGGB	
C[C@H](Oc1ccccc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	5578978	GEQMCDCQHNVTJS-HILYYZTDSA-N	356.466	3.208	50	40	FGGB	
C[C@@H](CSSC[C@@H](N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	584578801	GEMLJMUDETYEPM-WDEREUQCSA-N	351.534	3.015	50	40	FGGB	
COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3CCCl)[C@H]1O5	104193400	OHOGXXYPAHXKHY-GKCIPKSASA-N	359.853	3.034	50	40	FGGB	
O=P(N[C@H](O)C(Cl)(Cl)Cl)(c1ccccc1)c1ccccc1	100924559	JXWSVFCKGVVFIQ-CYBMUJFWSA-N	364.596	3.194	50	40	FGGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCC#N)cc1	2176192	VULXCHXKWSLOOH-PCXKXAPESA-N	353.447	3.361	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(Cl)c1	9190616	QMDFPMVPAAQNGH-CNHKJKLMSA-N	361.741	3.049	50	40	FGGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccco1	16450112	WMHUCQFTSVPQPY-LZYBPNLTSA-N	353.241	3.426	50	40	FGGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c1C	408779647	ZXZDSFZBOHVUCD-BOPFTXTBSA-N	365.433	3.312	50	40	FGGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1)OCO2	409106606	OHJFWIZDZLHTPY-RIYZIHGNSA-N	366.373	3.368	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)Cc2ccc(C)cc2C)cc1[N+](=O)[O-]	216047618	GJJCHSSSFCBPDT-XSFVSMFZSA-N	355.394	3.303	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1	4898841	RDSWWDUAAFOOEC-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1ccccc1F	32624789	HSAWKAXVAYCGMO-UHFFFAOYSA-N	369.352	3.333	50	40	FGGB	
COc1ccc(/C=N/NC(N)=O)cc1OC(=O)c1cccc2ccccc12	2726817	AWVPFTMVEIOUQC-WSDLNYQXSA-N	363.373	3.070	50	40	FGGB	
CC(=O)Oc1cccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1	4953616	VQNMLXBHUGZANP-OQLLNIDSSA-N	365.345	3.374	50	40	FGGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1O[C@@H](C)C(=O)O	23382906	MTKWGDDERGJTLU-IGVUGNCQSA-N	363.373	3.488	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1	104784417	WRMRKHYCNSACQD-QXMHVHEDSA-N	359.480	3.316	50	40	FGGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)NC(N)=O	409233319	FMXBHBZZXREFEF-ZROIWOOFSA-N	355.781	3.021	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2)c1	33721647	GTTMGJIZCNVZNT-STZFKDTASA-N	353.422	3.068	50	40	FGGB	
CCOc1c(/C=N/NC(=O)COc2ccccc2Cl)cccc1OC	40912011	SESTUQKPQHCADJ-RGVLZGJSSA-N	362.813	3.276	50	40	FGGB	
C#CCOc1ccc(Cl)cc1/C=N/NC(=O)c1cc(OC)cc(OC)c1	8811099	YTRYTNJYSZGFGL-CIAFOILYSA-N	372.808	3.133	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1	4524310	CUJHRPAPDIBIJQ-LICLKQGHSA-N	351.358	3.434	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cn1	4680085	ZIRCGIZZWYNZBD-JAIQZWGSSA-N	350.334	3.322	50	40	FGGB	
N#C[C@@H]1[C@@H](Br)[C@H](O)c2ccccc2N1C(=O)c1ccccc1	17299279	PKNLRSBYSSNFHC-BZUAXINKSA-N	357.207	3.036	50	40	FGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2)c2ccccc21	408815283	IYBZQUMWTJKLMF-LPYMAVHISA-N	363.417	3.277	50	40	FGGB	
CCC[C@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)c1ccccc1	9856891	IGWOXLGVWQKROW-INIZCTEOSA-N	364.449	3.443	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	831055	HOANYFGKWQPDME-YBFXNURJSA-N	372.450	3.044	50	40	FGGB	
C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccc(Cl)cc1	100922346	YARXUUWBCVUGJO-RGVLZGJSSA-N	374.784	3.383	50	40	FGGB	
Cc1ccc(/C(N)=N/[C@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1	97946899	JIGSDAYMUQFNFM-MRXNPFEDSA-N	350.249	3.260	50	40	FGGB	
Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1	408669634	RQUVLZXBAZARPT-CQSZACIVSA-N	354.362	3.170	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OC)c1OC	3245124	CPGHWBFMPAEQGO-JLHYYAGUSA-N	356.353	3.397	50	40	FGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccccn1	101506730	ZSDGCZHJGQPGAZ-OEAKJJBVSA-N	350.422	3.095	50	40	FGGB	
CC#C[P@](=O)(OC)[C@](O)(CBr)c1ccc([N+](=O)[O-])cc1	1297614	PZCBTWKZGNGUHH-ODXCJYRJSA-N	362.116	3.040	50	40	FGGB	
Cc1nn(Cc2ccccc2)c(Cl)c1/C=N/NC(=O)c1cccnc1	3335201	OGNUYRYEVRQURT-SRZZPIQSSA-N	353.813	3.052	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)cc1OC	3576453	KCSJSTNIDZTNLM-UFFVCSGVSA-N	352.312	3.487	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cccs2)C(C#N)=C(N)O3)c1	5180515	GLPCLMPVKJTFAP-AWEZNQCLSA-N	350.403	3.365	50	40	FGGB	
COC(=O)COc1ccc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1	409393540	YFIUAZKGNDJOFH-ZROIWOOFSA-N	363.373	3.187	50	40	FGGB	
CCN(CC)C(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	408867323	KNYCORZGAAWBKP-CIAFOILYSA-N	374.872	3.066	50	40	FGGB	
C=CCOc1c(/C=N/NC(=O)COc2c(C)cccc2C)cccc1OC	408909932	HUXDEHSFCKUAAW-LPYMAVHISA-N	368.433	3.406	50	40	FGGB	
CCOC(=O)NNC(=O)c1cn(Cc2ccccc2)nc1-c1cccs1	21770974	XVBIRTOCUXCZSA-UHFFFAOYSA-N	370.434	3.051	50	40	FGGB	
CCc1ccc(OCC(=O)NNC(=O)c2cccc(C(F)(F)F)c2)cc1	2626958	BRHWXDCUHKCNAP-UHFFFAOYSA-N	366.339	3.108	50	40	FGGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)cc1O	4832017	IHVAGGMSWGNIES-DICUCGQISA-N	367.243	3.137	50	40	FGGB	
CCc1ccc(OCC(=O)N/N=C2\C(O)=Nc3c2ccc(C)c3C)cc1	24037445	HPYLWNMVQPUOAK-UHFFFAOYSA-N	351.406	3.367	50	40	FGGB	
CC(C)(O)C1=C[C@@]23C[C@](C)(C(=O)O)[C@@H]4CCCC[C@]4(C)[C@H]2C[C@@H]1OO3	103942724	BMLNZARZCFTAMQ-WDHWYFMBSA-N	350.455	3.464	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	4822729	DJHJACQNKBDFDB-INIZCTEOSA-N	369.377	3.054	50	40	FGGB	
C=CCSC1=C(C#N)[C@@H](c2ccccc2C)[C@@H](C(=O)OCC)C(=O)N1	9320593	UKHWWKOJUJGIHR-HZPDHXFCSA-N	356.447	3.042	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC	408832519	UILWQPBXPHPYFG-UDWIEESQSA-N	369.377	3.241	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)CNc2ccc(F)cc2)c2ccccc21	409353188	YXFIARMKGMYGRK-ZMOGYAJESA-N	362.408	3.284	50	40	FGGB	
N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1ccc(Br)cc1	143009027	LSTRQCJMTBFIGL-ZROIWOOFSA-N	357.207	3.377	50	40	FGGB	
O=C(CCCl)N(Cc1ccccc1)Cc1nc(O)c2ccccc2n1	13499956	KUIOZFKUHALRBA-UHFFFAOYSA-N	355.825	3.493	50	40	FGGB	
COC(=O)c1ccccc1NC(=O)NNC(=O)c1csc2ccccc12	2858517	XBTAOVVZADFEOY-UHFFFAOYSA-N	369.402	3.154	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C/[C@H]2CC=CCC2)c(=O)n(-c2ccccc2)n1C	1452685	QAPMBUJIRRZXSL-YKBBIGDRSA-N	362.433	3.229	50	40	FGGB	
Cc1cc2c(c(=O)n1C1CC1)[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2199654	GBBRRWHDGZLYNT-INIZCTEOSA-N	353.809	3.363	50	40	FGGB	
CCc1c(C)sc(NC(=S)NNC(=O)OC(C)(C)C)c1C(=O)OC	6955800	TZSYAKMYOOZURF-UHFFFAOYSA-N	373.500	3.132	50	40	FGGB	
N#C/C(=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1)C(N)=O	408873097	MVIYHYQGVBLTKV-AWNIVKPZSA-N	357.753	3.219	50	40	FGGB	
CC(C)(O)C(=O)N/N=C/c1cn(Cc2cccc(F)c2)c2ccccc12	32578423	WNKYRLCKMWYYAM-SSDVNMTOSA-N	353.397	3.050	50	40	FGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1ccccc1Cl	2053460	RJQCZDLGGYZETD-LSHDLFTRSA-N	368.824	3.010	50	40	FGGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1I	6207808	XBVHTURRKMACLY-LICLKQGHSA-N	364.186	3.364	50	40	FGGB	
CC1=C(C)/C(=N\S(=O)(=O)c2ccc(C)cc2)[C@@H](Cl)[C@@H](Cl)C1=O	103974596	XQLJRXBBFNZCLA-SIXPRSDSSA-N	360.262	3.259	50	40	FGGB	
CC(C)COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	59483762	MUHFWFGGBQEWHS-SRZZPIQSSA-N	373.840	3.464	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC#N)c(OC)c2)cc1	111677496	PBMGJDHSPFGADX-PTNGSMBKSA-N	363.373	3.152	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1nccs1)[C@@H](Br)C2=O	13751914	XQINMRULNBSVAS-PCTYZZJISA-N	357.273	3.241	50	40	FGGB	
COC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1ccc(OC)cc1	5305884	ZFLDZYUZDFPGSS-AWEZNQCLSA-N	356.403	3.070	50	40	FGGB	
C/C(CCc1ccc2c(c1)OCO2)=N\NC(=O)COc1cccc(C)c1	4984980	WUQQAJOEOVIPSY-RCCKNPSSSA-N	354.406	3.227	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	408787690	DXENINZDZSJMCR-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccccn1	1686174	TWXOEHVIQRDKGI-FYJGNVAPSA-N	365.264	3.130	50	40	FGGB	
CC(C)OC(=O)/C(C#N)=C/c1ccc(Sc2nccn2C)c([N+](=O)[O-])c1	5268608	SQJLYXUHDRGHMM-MDWZMJQESA-N	372.406	3.338	50	40	FGGB	
COc1ccccc1NC(=O)COc1ccc(C=C(C#N)C#N)cc1OC	860950	MYCGVRRLRLOLBH-UHFFFAOYSA-N	363.373	3.152	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1	59515513	ZATOUBVQQVYJLY-HYARGMPZSA-N	365.433	3.464	50	40	FGGB	
C#CCn1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21	8811025	FUXFGICYARWOCS-LPYMAVHISA-N	361.401	3.056	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)NN=C1CCN(Cc2ccccc2)CC1	59415367	KBWNOWBKTPNOSZ-UHFFFAOYSA-N	371.868	3.487	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)cc1	58915960	DSJQYHHGUVIENO-KGENOOAVSA-N	369.490	3.005	50	40	FGGB	
O=P(CCN1CCCN2CCC[C@@H]2C1)(c1ccccc1)c1ccccc1	103725861	YLXFKRRUASDZFH-HXUWFJFHSA-N	368.461	3.171	50	40	FGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4F)c32)c1	4167512	XYPQRENBLHUXBS-MRXNPFEDSA-N	362.364	3.443	50	40	FGGB	
O=C(CCCc1nc(-c2ccccc2)no1)NNc1ccccc1[N+](=O)[O-]	14142144	YGAYNSRZMWQTIJ-UHFFFAOYSA-N	367.365	3.111	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@@H](c2ccccc2)N2CCCCC2)cc1	1698274	SNDKKVBDOICQAZ-JFLDFIPSSA-N	351.450	3.373	50	40	FGGB	
O=C(NNC(=S)NCCc1ccccc1)c1ccc(Cl)c(Cl)c1	2784029	CDVSFBKLPHEKFF-UHFFFAOYSA-N	368.289	3.345	50	40	FGGB	
CC1=C(C#N)[C@](c2c(C)nn(-c3ccccc3)c2O)(C(F)(F)F)C(O)=N1	4597913	JEBCEFQBHIAPFE-MRXNPFEDSA-N	362.311	3.454	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Br)N/N=C/c1ccncc1	3153336	YQBXUMUMNCKXMR-QGMBQPNBSA-N	368.618	3.027	50	40	FGGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1	4545164	XAFMXTLGOFJIAH-YBFXNURJSA-N	360.211	3.173	50	40	FGGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cc2cc(Cl)ccc2o1	408961163	AZPSFFGAGZUXAM-QGMBQPNBSA-N	359.725	3.464	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cccs2)N2C(=N1)SC(C#N)=C2N	408608277	VSLJYCVOFXNZRO-CQSZACIVSA-N	374.491	3.476	50	40	FGGB	
N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2[C@H]1c1ccnc2ccccc12	5590132	DBGWIVSSQHNMID-LBPRGKRZSA-N	357.295	3.195	50	40	FGGB	
CC1=C(C(=O)OCCCl)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1	4113674	NRGJLISSBOKTKV-LBPRGKRZSA-N	363.628	3.403	50	40	FGGB	
CCCOc1ccc(C(=O)NNC(=O)c2cc(-c3ccccc3)on2)cc1	8855581	DQEPVPHVGRITKM-UHFFFAOYSA-N	365.389	3.205	50	40	FGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc(OCC)ccc1OCC	728372	DFKNADWELMMKQM-SFHVURJKSA-N	372.421	3.129	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1C(=O)O	59484972	NBHDCKKRAKNXCK-UFWORHAWSA-N	367.188	3.464	50	40	FGGB	
COc1ccccc1C(=O)NN(C(=O)c1ccccc1OC)C(C)(C)C	1428694	VGRBKUJHVSAPBP-UHFFFAOYSA-N	356.422	3.290	50	40	FGGB	
O=C(Cc1ccccc1)NNC(=O)c1ccc(COc2ccccc2)cc1	10133034	GDQZAGFGWLWZBA-UHFFFAOYSA-N	360.413	3.269	50	40	FGGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)c1	36137588	CJOCOIZWIKFLGR-MDWZMJQESA-N	353.334	3.245	50	40	FGGB	
Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	2341434	IIQKQMLUHFAVEP-AWEZNQCLSA-N	362.216	3.219	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408794463	JERZBCMTPXLUKE-KPKJPENVSA-N	372.764	3.055	50	40	FGGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1	5095224	XGUHRCKMPCSFTB-QGZVFWFLSA-N	372.384	3.332	50	40	FGGB	
CCCc1n[nH]c2c1[C@@H](c1cccc(OCC)c1OCC)C(C#N)=C(N)O2	18115433	BLVMEMQQWQNGDB-INIZCTEOSA-N	368.437	3.378	50	40	FGGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408880792	INYDZUBIEMYQFZ-MDWZMJQESA-N	353.334	3.158	50	40	FGGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(Br)o1	408998886	QSQNSUJYQYFJOC-LZYBPNLTSA-N	353.241	3.426	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O)c([N+](=O)[O-])c3)cc2c1	409186389	BKZQLFVOIVNUON-GRSHGNNSSA-N	369.333	3.209	50	40	FGGB	
CO[C@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(C)cc1)c1ccccc1	5414839	ZPATVMQDDLIETM-OMNSNBSWSA-N	353.422	3.203	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCc2ccccc2C)c(OC)c1	1424861	TVKIXHIKUMOGPO-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Cl)c2)c1	409217179	AEZGIZQUWRMMBE-RIYZIHGNSA-N	369.808	3.058	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OC(C)=O	408744970	OFIOKXUYEWKDAP-YBEGLDIGSA-N	350.374	3.475	50	40	FGGB	
CCOc1cc(OCC)c(/C=C(/C#N)C(=O)N(C)C)cc1Br	33305958	CNKSXEDZSYTXAD-GHXNOFRVSA-N	367.243	3.242	50	40	FGGB	
CC(C)CCn1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)n1	253404016	QUKRDWLBUGTVGI-QGZVFWFLSA-N	354.454	3.380	50	40	FGGB	
CCOC(=O)c1sc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)nc1C	800943	BPTSUIXPQPHSOA-UKTHLTGXSA-N	371.418	3.183	50	40	FGGB	
N#C/C(=C/[C@H]1C[C@H](Br)CC[C@@H]1O)C1CCC([N+](=O)[O-])CC1	17023109	SXOQXIKFVOWXTB-MXDCVSGESA-N	357.248	3.196	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)COc2cccc(C)c2C)cc1OC	30843239	IVVXYBGAOZIWAY-MTJSOVHGSA-N	356.422	3.240	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2ccccc2SC[C@@H]2CCCO2)n1	21127617	MSUHNALYHASIPM-AWEZNQCLSA-N	358.467	3.121	50	40	FGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccco1	58895659	CZNUEEQHPSPQSH-CIAFOILYSA-N	351.337	3.435	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)cc(Br)c1O)c1ccccc1O	4132388	GDHZCIHOGALSRY-REZTVBANSA-N	369.602	3.278	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1c[nH]c2ccccc12	4786693	QXQIFLPSSMVVTR-KRWDZBQOSA-N	355.353	3.492	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)C(=O)NC1CCCC1	409190249	QQSUSKDDTQSESG-WJDWOHSUSA-N	369.465	3.270	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2)cc1	6428494	GVTDPWQBRXGIKA-LFIBNONCSA-N	350.374	3.418	50	40	FGGB	
CC1=CC(C)(C)N2C(=O)/C(=N\NC(=O)c3ccncc3)c3cc(C)cc1c32	101144643	RDCSZVFVAHSMTR-QJOMJCCJSA-N	360.417	3.066	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc([N+](=O)[O-])cc1	1458030	GKLONNYOOYHOBF-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
N#CC(C(=O)COC(=O)c1ccc(Cl)cc1)=C1Nc2ccccc2N1	3243370	JEJFZVVHWNXACW-UHFFFAOYSA-N	353.765	3.339	50	40	FGGB	
Cc1c(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cccc1[N+](=O)[O-]	409343614	HVMSBQRXYOGDDO-UHFFFAOYSA-N	366.421	3.285	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1cccc([N+](=O)[O-])c1	5125962	IQCHITJNKBPDIZ-HNNXBMFYSA-N	359.345	3.203	50	40	FGGB	
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)c1	3193674	JNTFTNMAVGIOET-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
C=CCn1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21	108084423	IMUFFPYBGSRSQD-BKUYFWCQSA-N	362.389	3.428	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)Cc2cc(C)ccc2C)cc1[N+](=O)[O-]	409359267	AZVYACMJLUEFLL-XSFVSMFZSA-N	355.394	3.303	50	40	FGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(C)c1C	408786463	QHFWQVDRXRDZDI-GIJQJNRQSA-N	364.243	3.177	50	40	FGGB	
CN(C)C(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12	408762245	JWDCOQDFYJADJD-FOWTUZBSSA-N	372.428	3.275	50	40	FGGB	
CC(C)C[C@@H]1[C@@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19200167	DPZXKVAWYKKGOL-NHCUHLMSSA-N	371.488	3.491	50	40	FGGB	
C/C(CC(=O)Nc1cccc(C)c1)=N\NC(=O)COc1ccccc1C	4381051	UUSROZGEOAEYIL-CJLVFECKSA-N	353.422	3.203	50	40	FGGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2nnc(CC)s2)cc1OC	13617881	RHODJWWMNPZYSK-WQLSENKSSA-N	358.423	3.053	50	40	FGGB	
O=C(NNC(=S)Nc1ccc(F)cc1)c1ccc(OC(F)F)cc1	652956	DXKXTXUYFSGDNL-UHFFFAOYSA-N	355.341	3.059	50	40	FGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1Cl	59249885	KKMQVCILSZBOHJ-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2cccc(Cl)c2)cc1	3090015	LENWPVQVIIRVDU-UDWIEESQSA-N	359.813	3.218	50	40	FGGB	biogenic
O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	6508445	MUGXUVMXFCJFPC-WSDLNYQXSA-N	366.348	3.477	50	40	FGGB	
O=C(N/N=C/c1ccncc1)c1ccc(CN2CCc3ccccc3C2)cc1	408857568	KVSMZDYSRRUFOF-MFKUBSTISA-N	370.456	3.404	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C\c1ccc(F)cc1	33154829	RJVJESHMKOUMMF-CFRMEGHHSA-N	373.387	3.444	50	40	FGGB	
CCO[Si](CCCNC(=O)N[C@@H](C)c1ccccc1)(OCC)OCC	195751220	HTHSRWGCXUDZTR-INIZCTEOSA-N	368.550	3.485	50	40	FGGB	
CC1=C(C)/C(=N\S(=O)(=O)c2ccc(C)cc2)[C@H](Cl)[C@H](Cl)C1=O	103726734	XQLJRXBBFNZCLA-DTBJURTMSA-N	360.262	3.259	50	40	FGGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)n(C)c2ccccc32)cc1C	20086099	VVNNUEAGJFGEDF-SFHVURJKSA-N	357.413	3.374	50	40	FGGB	
CCCc1c(/C=N/NC(=O)c2ccccc2)c(OC)c2c(c1OC)OCO2	15085393	JXNGQCKXJJXZBK-SRZZPIQSSA-N	370.405	3.149	50	40	FGGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cccc3c2OCCO3)cc1	409120194	VTMFHFMSUFEQJI-PVGUKEHMSA-N	356.447	3.397	50	40	FGGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	33663616	PQFYJBLIGLLXIN-KELUXRKGSA-N	355.394	3.465	50	40	FGGB	
CCOC(=O)c1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)cc1	408972474	UISXTRMAHZGYJK-CIAFOILYSA-N	366.373	3.382	50	40	FGGB	
C[C@@]12CC[C@@H]([C@H](Br)C1=O)[C@]2(C)CI	242649015	RRHSBISFIQTULS-MFDQJXRNSA-N	357.029	3.190	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1cccc(Cn2cccn2)c1	1081864	FFTJNEDCZGXIQI-RGVLZGJSSA-N	354.797	3.054	50	40	FGGB	
CCCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)cc1OCC	2768474	NDBMFVJVXVVUAJ-YTBHAWNYSA-N	358.438	3.076	50	40	FGGB	
O=C1OC(=O)[C@H]2[C@H]1C1c3ccccc3C2(Br)c2ccccc21	104252849	FBWNJSWBLCJXRF-NWPKHEMWSA-N	355.187	3.100	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)CC[C@H](O)c2ccccc2)cc1	58887135	DUEOKEMRDPJBTM-OFXNXBLFSA-N	353.466	3.497	50	40	FGGB	
CC1(C)[C@@H](C(=O)N/N=C/c2ccc3c(c2)OCO3)[C@@H]1C=C(Cl)Cl	4811602	YUYAVSPRCYZKLO-GQIBASJKSA-N	355.221	3.457	50	40	FGGB	
COc1ccc(-c2ccc(CCC(=O)NNC(=O)c3ccoc3C)o2)cc1	9722454	BZOJXQCPEWHSOU-UHFFFAOYSA-N	368.389	3.250	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCCCCC2)cc1)C(=O)NC[C@@H]1CCCO1	98053639	QSIMHNJZDZQRPT-BXWQOUMASA-N	353.466	3.269	50	40	FGGB	
CC(C)=NNC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1	409130023	VTNDIQANIRYOGM-UHFFFAOYSA-N	373.478	3.087	50	40	FGGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1Cl	409139595	BJWILBJOUVVUBA-GOSISDBHSA-N	367.836	3.082	50	40	FGGB	
Cn1c(=O)n(C)c2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)ccc21	408892170	BPCGDTKVHGNRFA-UKTHLTGXSA-N	366.808	3.076	50	40	FGGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1	408849029	UBDZGHUPKYUPBW-UAAGNOOKSA-N	371.393	3.093	50	40	FGGB	
Cc1nn(C)c2nc(C3CC3)cc(C(=O)N/N=C/c3ccc(F)s3)c12	252507674	WRGAPMZDIYEDII-UFWORHAWSA-N	357.414	3.119	50	40	FGGB	
CN1/C(=C\C=C(/C#N)C(=O)NC[C@@H]2CCCO2)C(C)(C)c2ccccc21	7159821	LFIVTICBRZEXIR-BDBOLZLUSA-N	351.450	3.043	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccccc3Cl)CC2=O)cc1	33750267	VNECYAVTPWQMRP-SYZMQFJCSA-N	355.825	3.152	50	40	FGGB	
OB(O)c1cc(Br)cc(-n2c3ccccc3c3ccccc32)c1	725239980	QRTURGHGEOUEJE-UHFFFAOYSA-N	366.023	3.226	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1OC	59401508	QKCBJGNQCPPWRW-FYJGNVAPSA-N	354.406	3.098	50	40	FGGB	
CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2279552	OZJJVRDQQRJLOG-VXGBXAGGSA-N	354.834	3.018	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccc(C)c(C)c1)c1ccccc1O	4525815	BDQXUPLGPATSQY-PXLXIMEGSA-N	353.422	3.268	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@H]2[C@@H]1c1ccccc1Cl	4631692	JORXQYWYJCBJJH-CZUORRHYSA-N	352.850	3.497	50	40	FGGB	
N#C/C(=C/c1ccc(O)cc1O)C(=O)Nc1ccc(Br)cc1	408745104	PJCWBUISIICIMU-XFFZJAGNSA-N	359.179	3.406	50	40	FGGB	
OCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	80440330	JWQJXBUCHIQJPP-BYPYZUCNSA-N	368.030	3.395	50	40	FGGB	
CCOC(=O)[C@@H]1CCC/C1=N\NC(=O)CSCc1ccccc1Cl	5205582	QEFOOWYKYUNHSF-PETKRDDUSA-N	368.886	3.409	50	40	FGGB	
Cc1nc(N)sc1C(=O)N/N=C\c1ccccc1OCc1ccccc1	31854400	FRVBTUPATDHRKO-NHDPSOOVSA-N	366.446	3.377	50	40	FGGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)NC[C@H]1CCCO1	853953	ASZPJOZPAOCWKK-UMSHPIDHSA-N	362.429	3.468	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CCCCCNC(=O)c2ccccc2)cc1	1956251	DAFDHEUUIGKTDA-XQNSMLJCSA-N	367.449	3.136	50	40	FGGB	biogenic
Cc1ccc(/C=N/NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)o1	4750815	ZRFPEJHQDHKIKH-WSDLNYQXSA-N	359.385	3.206	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)COc1ccc(OC)cc1	409105707	JEAJHBABBWCYTL-JAIQZWGSSA-N	362.813	3.276	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1C[C@H]1CCCO1	409201552	WHKHKKGCNSQSJB-FGIMNINOSA-N	364.449	3.041	50	40	FGGB	
COc1cc(C=O)ccc1OC[C@H](O)C[C@@H]1C=C(C=O)c2ccccc21	95117200	SUMOGIHYJKLDLE-DOTOQJQBSA-N	352.386	3.017	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1	831063	JKPYJXZHTUTXJI-MQMKENTISA-N	358.463	3.476	50	40	FGGB	
COc1cc(C(=O)N/N=C/c2c(F)cccc2Cl)cc(OC)c1OC	3222555	YEEPZRKLFBSMHC-AWQFTUOYSA-N	366.776	3.269	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)c1	3238644	KMTOYMNQUPKTQO-LSHDLFTRSA-N	351.328	3.276	50	40	FGGB	
CCCCOc1ccc([C@@H]2C(C#N)=C(N)Nc3oc(OC)nc32)cc1C	5792930	DEKOSSXXSHOPJS-OAHLLOKOSA-N	354.410	3.422	50	40	FGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc2ccc(C)cc2nc1Cl	925145	XXRNVGBCKLHKKL-MRXNPFEDSA-N	369.808	3.451	50	40	FGGB	
C#CCN1C(=O)/C(=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	4702526	ZVWQNQKCCONFNR-PGMHBOJBSA-N	372.211	3.107	50	40	FGGB	
C/C(=N\NC(=O)CN1CCCC1=O)c1ccc(-c2ccc(F)cc2)s1	98054396	HPOGAHGEJBGTSY-UDWIEESQSA-N	359.426	3.017	50	40	FGGB	
O=C1O[C@H](C(=O)NNc2ccc(Cl)c(Cl)c2)Cc2ccccc21	24776309	ZHAUJKHBEVJFLL-AWEZNQCLSA-N	351.189	3.218	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)cc(Br)c1OC	6429153	RLVCYXQZPOVXAZ-WUXMJOGZSA-N	367.243	3.288	50	40	FGGB	
CCC1=C(C(=O)OC)[C@H](c2ccccc2C(F)(F)F)C(C#N)=C(N)O1	4652857	MNCHJGRCDFQPER-CYBMUJFWSA-N	352.312	3.350	50	40	FGGB	
NC(=O)N/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1	5769476	WIUMQRLHURDKEL-UFWORHAWSA-N	366.190	3.169	50	40	FGGB	
C/C(=N/NC(=O)c1cccc(F)c1)c1ccc(NC(=O)C(F)(F)F)cc1	5887889	VWPGQXNDUQDMCF-RMORIDSASA-N	367.302	3.481	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)ccc1O	408676520	JYDWKCLBAHAPON-KGENOOAVSA-N	353.422	3.155	50	40	FGGB	
CC1=C(/C=C/C(C)=N/NC(=O)C[C@@H]2CCS(=O)(=O)C2)C(C)(C)CCC1	584906768	TWFSXIKAOZUFGQ-REHLJAHJSA-N	366.527	3.386	50	40	FGGB	
N#CC(C#N)=Cc1cn(CCC(=O)O)nc1-c1ccc(Br)cc1	3273743	ATTZVZMYZRNEFY-UHFFFAOYSA-N	371.194	3.218	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)NCCCO[C@@H](C)c2ccccc2)c(C)o1	32795530	ODUYHZPQGUYHLB-AWEZNQCLSA-N	359.426	3.008	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)Nc2ccccc2C)cc1	3239260	NWBDVUHVBDBLDO-LFIBNONCSA-N	350.374	3.093	50	40	FGGB	
CC(=O)N/N=C/c1cc(C)n(-c2sc3c(c2C(=O)O)CCCC3)c1C	107534767	GIFUTIANRXBHPM-DJKKODMXSA-N	359.451	3.203	50	40	FGGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1	408891384	PUNWPPWHQWEQSQ-MDWZMJQESA-N	353.334	3.158	50	40	FGGB	
COC(=O)N/N=C/c1ccccc1OCCCOc1cccc(OC)c1	4545184	HVQBWZGYUVATRS-XSFVSMFZSA-N	358.394	3.233	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1[N+](=O)[O-]	4520376	MMRZYIUWDJCHQP-DJKKODMXSA-N	371.418	3.161	50	40	FGGB	
Cc1cccc2cc(/C=C(\C#N)C(=O)NC[C@H]3CCCO3)c(Cl)nc12	7159859	JHANMEDCTCNBSA-HTRKUNOGSA-N	355.825	3.399	50	40	FGGB	
CC/C(=N\NC(=O)[C@H](OC)c1ccccc1)c1ccc(OC)c(OC)c1	408719728	KWSPBYMIVXMAES-SRMPHAGFSA-N	356.422	3.322	50	40	FGGB	
C[C@H](Br)[C@H](Br)c1nc(O)n(-c2ccccc2)n1	4266394	GBUCCYDGQWBNJN-CBAPKCEASA-N	361.037	3.192	50	40	FGGB	biogenic
O=C(CCl)N1CCC(CN(C(=O)OCc2ccccc2)C2CC2)CC1	79412149	IXJBLNXYCJVRFG-UHFFFAOYSA-N	364.873	3.265	50	40	FGGB	
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H](CBr)O[C@H]2C1	91302785	PYESLKOIIXXBHE-ILXRZTDVSA-N	354.244	3.198	50	40	FGGB	
Cc1ccc(-c2nnc(SCC(=O)N/N=C/c3ccccc3)n2C)cc1	685853	UBDPKYKEIORLPX-UDWIEESQSA-N	365.462	3.033	50	40	FGGB	
CCCn1c(O)c(C(=O)N/N=C/c2cccc(F)c2)c(=O)c2ccccc21	5509312	OECHGOWYRKPCSZ-WSDLNYQXSA-N	367.380	3.020	50	40	FGGB	
COC(=O)Cn1c(C)c(/C=N/NC(=O)c2ccccc2C)c2ccccc21	9202614	KKWDBTMRPZQOQA-WSDLNYQXSA-N	363.417	3.195	50	40	FGGB	
C/C(=N/NC(=O)Cn1cnc2ccccc21)c1ccc(Br)cc1	945592	RDRHUNARTALUDH-NDENLUEZSA-N	371.238	3.339	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCC#N	5130831	MBHNYORCLPHVES-HCIRMPLMSA-N	353.422	3.199	50	40	FGGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1	840365	GVWACQWCNKUOCZ-JTQLQIEISA-N	353.205	3.222	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1Cl	3149888	YZHMZQGEKRYIGW-UHFFFAOYSA-N	373.623	3.487	50	40	FGGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1c(O)ccc2ccccc12	58883826	PEWVUTZVGFYGEB-VXLYETTFSA-N	350.403	3.327	50	40	FGGB	
C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(=O)CN1CCCCCC1=O	58682922	YPIPANZCDXSRHC-PXLXIMEGSA-N	359.514	3.488	50	40	FGGB	
N#C/C(=C/c1cccc(OCC(=O)O)c1)C(=O)Nc1ccccc1Cl	409063674	DIQOJQXNQDOLMH-JYRVWZFOSA-N	356.765	3.349	50	40	FGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)cc1	408742191	NSMGWAHWXAAVCP-CIAFOILYSA-N	365.389	3.238	50	40	FGGB	
CC(C)=NNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1	408907781	RNTCBODXDHVZKI-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
COc1ccc2occ(/C=C(\C#N)C(=O)N3CCc4ccccc43)c(=O)c2c1	2240881	CYISHGUPLUMQEV-XNTDXEJSSA-N	372.380	3.298	50	40	FGGB	
CCCCNC(=O)CCCCC(=O)N/N=C/c1c(O)ccc2ccccc12	5309190	FQFSEYPWGXKFGQ-HZHRSRAPSA-N	369.465	3.472	50	40	FGGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@](O)(C#N)[C@@]4(C)CC[C@@H]32)C1	118918482	FQCJGWJLPOAZDO-LNFFIUOTSA-N	373.493	3.106	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)N2CCCC2)c(C)n1-c1ccc(C(=O)O)cc1	409372994	UXCBIAXNPLLVHD-LDADJPATSA-N	363.417	3.322	50	40	FGGB	
O=C(CNC(=O)c1ccc(Cl)cc1)N/N=C\c1cccc2ccccc12	36077409	IDPGYUUMPABPQI-FMCGGJTJSA-N	365.820	3.373	50	40	FGGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)c1C	4071383	CNBPZTQMOQMYSF-RIYZIHGNSA-N	368.389	3.312	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	5512159	QSTWGQRWHMUVCH-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
CCOP(=S)(OCC)Oc1cc(COC)c2c(C)nn(C)c2n1	2381175	JIJCJNVVURRWHJ-UHFFFAOYSA-N	359.388	3.099	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O1	710722	CZQYEYLEKIYJFU-HNNXBMFYSA-N	357.366	3.020	50	40	FGGB	
CCc1cc2cc(C)cc(C)c2nc1SCC(=O)NNC(=O)C(C)C	4849499	AZJJFXGRSMISTL-UHFFFAOYSA-N	359.495	3.310	50	40	FGGB	
CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	58885926	FAJUKLBFXYDCET-UHFFFAOYSA-N	360.414	3.242	50	40	FGGB	
C[C@@]1(C(=O)N/N=C/c2c[nH]nc2-c2ccc(F)cc2)CC1(Cl)Cl	6694145	CKTSTFLQYABRPE-UJMBYILYSA-N	355.200	3.250	50	40	FGGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccn3)o2)cc1[N+](=O)[O-]	827320	GGLFDZLULJBZJC-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
CCCCN1C(=O)/C(=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21	165107347	MNSJIOQKYLKWRL-CZIZESTLSA-N	359.429	3.427	50	40	FGGB	
C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1cccc(O)c1	5361513	QAEMVEDUXGUPJS-PXLXIMEGSA-N	353.422	3.452	50	40	FGGB	
O=C(CCCCCNC(=O)c1ccccc1Cl)N/N=C/c1ccco1	2675979	DAKRWPZDECCFGN-FYJGNVAPSA-N	361.829	3.374	50	40	FGGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O	1449754	UXJOVLPNUICFPN-VDCVXVNISA-N	363.211	3.072	50	40	FGGB	
N#CCCCN1C(=O)/C(=N/NC(=O)c2ccccc2Cl)c2ccccc21	4673113	FZEINOIQOHTNAR-OQKWZONESA-N	366.808	3.124	50	40	FGGB	
Cc1ccccc1OCc1ccc(/C=C(/C#N)C(=O)NC[C@H]2CCCO2)o1	17075224	YUPRZBLQYHMELX-MUMAZLPKSA-N	366.417	3.369	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1cccc(F)c1	409106499	NTAOJUXUHAWEEF-LPYMAVHISA-N	371.412	3.207	50	40	FGGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1	409134684	XCCWHZNNOURVFS-MGPQQGTHSA-N	373.478	3.141	50	40	FGGB	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1cccc(C(=O)O)c1	408543976	UEYYBAVWWWXQJN-SDQBBNPISA-N	371.736	3.492	50	40	FGGB	
O=C/C(=C\Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1nc2ccccc2o1	3021282	JTOQULMAKNCUJZ-CSKARUKUSA-N	354.278	3.296	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)ccc1O)N/N=C/c1cc(Cl)ccc1O	830939	GVQSCQWJYFUCAD-NDILIQOGSA-N	367.192	3.072	50	40	FGGB	
C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1cccc([N+](=O)[O-])c1	19861244	SHUOWLVXHKLNSE-ODLFYWEKSA-N	370.390	3.369	50	40	FGGB	
COC(=O)c1ccc2c(c1)N[P@](=O)(N(CCCl)CCCl)N2	104048811	SJFZHHGDRKCBBP-NRFANRHFSA-N	352.158	3.198	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)C(C#N)=C(N)O3)c1	5219355	RDXPUKASBZNVBS-MRXNPFEDSA-N	360.373	3.009	50	40	FGGB	
O=C(NNc1ccccc1[N+](=O)[O-])c1nn(-c2ccccc2)c2c1CCC2	14180776	HKDDZWGGSULKGT-UHFFFAOYSA-N	363.377	3.026	50	40	FGGB	
COc1cccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c1O	5539989	REABJHNJWHIXED-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
Cc1cn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	4702455	APSWHWAQLWJQJK-RGVLZGJSSA-N	364.361	3.163	50	40	FGGB	
COc1ccc(-c2ccc(CCC(=O)NNC(=O)c3cccs3)o2)cc1	9691342	QHWUILGLOMCRMC-UHFFFAOYSA-N	370.430	3.411	50	40	FGGB	
CC(/C=N\NC(=O)C(=O)N/N=C/C(C)=C\c1ccccc1)=C/c1ccccc1	61965921	DDWMYLDFCXXFJT-JXZMCPRCSA-N	374.444	3.397	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccccc1	409096692	KRCDJVRASXIOAH-KGENOOAVSA-N	353.422	3.068	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1O[C@H](C)C(=O)O	409009923	CNOWZNSIICLVJB-NWFCWYBLSA-N	366.373	3.093	50	40	FGGB	
O=C(NNS(=O)(=O)c1cccc2ccccc12)c1ccc(Cl)cc1	35685892	LWASUMASBQNOQH-UHFFFAOYSA-N	360.822	3.117	50	40	FGGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(O)cc2)o1	9324291	VHCMPJOPHPMQKQ-SRZZPIQSSA-N	364.357	3.423	50	40	FGGB	
CCOC(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	14795062	LTTOJTDHBLROMS-UHFFFAOYSA-N	364.405	3.239	50	40	FGGB	
CCOc1ccccc1NC(=O)N/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1	408858220	QUPRKEFTXIKWJD-RQZLXBNYSA-N	371.393	3.093	50	40	FGGB	
CC(=O)Oc1cc([N+](=O)[O-])ccc1C(Br)Br	100045474	WJGWWMFNEMSFDM-UHFFFAOYSA-N	352.966	3.309	50	40	FGGB	
CCOc1ccc(O)c(/C=N/NC(=O)c2ccccc2Br)c1	20761175	FLYRWUTZJVTZFS-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1nccs1)[C@H](Br)C2=O	4185828	XQINMRULNBSVAS-WZYXQFPFSA-N	357.273	3.241	50	40	FGGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc([N+](=O)[O-])ccc1O	408918465	KVQHALOKUISVAJ-IDUWFGFVSA-N	354.149	3.371	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1	3194737	GSKVKJYMGGKESL-UHFFFAOYSA-N	367.111	3.485	50	40	FGGB	
O=C(CCSCc1ccccc1)NNC(=S)NCc1ccccc1	27579316	FBJUSSUZTGNUCU-UHFFFAOYSA-N	359.520	3.005	50	40	FGGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	59152918	RNXFHBQMGBEOAX-DEDYPNTBSA-N	352.394	3.267	50	40	FGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2ccncc2)sc2c1CCCC2	5016804	GKOMVMMEGCBXQP-RAXLEYEMSA-N	367.430	3.354	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(C)c2)cc1	408795246	LTHIPQXPRYFNJP-LFIBNONCSA-N	350.374	3.336	50	40	FGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	408829818	QFIDGVDBCVQCGV-KEBDBYFISA-N	374.784	3.361	50	40	FGGB	
O=C(CI)Nc1ccc(Br)cc1Cl	70233745	XAEZUVNVZCVGCQ-UHFFFAOYSA-N	374.403	3.476	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2O)cc1	223172048	VLQJUWMCMYVFNR-PTNGSMBKSA-N	366.373	3.123	50	40	FGGB	
COc1cccc(/C(C)=N\NC(=O)CSc2nc3ccccc3[nH]2)c1	1245887	XPZQWRDPKIVRLU-MTJSOVHGSA-N	354.435	3.204	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(Br)o2)c(C)c1	950112	IPAVRRLBCGNGHM-CAOOACKPSA-N	351.200	3.188	50	40	FGGB	
CCOC(=O)c1ccc(C(=O)[C@H](Br)CBr)cc1	575361683	FVUPQKGVCVNZIA-SNVBAGLBSA-N	364.033	3.204	50	40	FGGB	
CC(C)(O)C(=O)N/N=C/c1cccn1Cc1ccc(Cl)cc1Cl	35269499	JWISNCQSPQMHRP-DJKKODMXSA-N	354.237	3.064	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(OC)c1OC	59133422	KXZGBZUMPUGGSX-VMOJBDSFSA-N	366.417	3.497	50	40	FGGB	
CC(C)CC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2345274	MNQBCAUWPBJBOY-STQMWFEESA-N	368.861	3.264	50	40	FGGB	
Cc1ccc(-c2cnc(CCC(=O)NNC(=O)c3cccs3)o2)cc1C	11256445	WWXCOJGVGLZQJM-UHFFFAOYSA-N	369.446	3.414	50	40	FGGB	
O=C(N/N=C/c1cccc(OC(=O)c2ccco2)c1)c1cccc(F)c1	4702470	YRFFGCDBSPKWDI-CIAFOILYSA-N	352.321	3.402	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OC	66202212	WWUITRBJZIKNFB-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCOCC3)c2C)c1C	409006808	LDNKLNGJCJHIRY-DEDYPNTBSA-N	363.461	3.477	50	40	FGGB	
Cc1ccc(CSCCNC(=O)NNC(=O)c2ccc(C)cc2)cc1	29327462	SLXUTEFZMNGXDT-UHFFFAOYSA-N	357.479	3.181	50	40	FGGB	
O=C(Cc1c[nH]c2ccccc12)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	34200866	NDEGSDHVBBHSLV-KEBDBYFISA-N	356.769	3.422	50	40	FGGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C1/C(=O)Nc2ccccc21	5528388	MRASPYURONDVCH-UHFFFAOYSA-N	359.838	3.046	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	106586531	NJNXFWBGJRCAGX-ATTDUZETSA-N	351.362	3.388	50	40	FGGB	
CCN(CC)C(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1cccs1	408604401	IOPAEXDFEZCDAX-CQSZACIVSA-N	373.507	3.001	50	40	FGGB	
Cc1c(/C=N/NC(=O)COc2ccccc2)c(Cl)nn1-c1ccccc1	408893380	MXYSDORMBXKACI-CIAFOILYSA-N	368.824	3.363	50	40	FGGB	
N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccccc1Cl	205772321	JLFOSYBFURCGAE-ACCUITESSA-N	357.797	3.315	50	40	FGGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(N2CCOCC2)cc1	7157996	CWBMUVJXVQJBBK-CSTQPDNXSA-N	353.466	3.125	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1	714629	JNMYHHCDVYQABI-RGVLZGJSSA-N	374.462	3.096	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2ccc(Cl)cc2)oc2c1C(=O)CC(C)(C)C2	27816770	NUDQQORTHPRZQE-UHFFFAOYSA-N	374.824	3.471	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C)cc2C)c(O)c1	6241356	XSAZEICEJBXFOZ-LPYMAVHISA-N	369.465	3.384	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2c(OC)cccc12	9704013	LFLWAGKLHNENCJ-SFHVURJKSA-N	362.389	3.107	50	40	FGGB	
N#C/C(=C\c1cccc(OCC(N)=O)c1)c1ccc(Br)cc1	408579554	HTDZVBRDGPXZOW-RIYZIHGNSA-N	357.207	3.377	50	40	FGGB	
O=C(COc1cccc(/C=N\NC(=O)c2ccccc2)c1)Nc1ccccc1	409256848	QHGAUODOXPGWHJ-HAHDFKILSA-N	373.412	3.468	50	40	FGGB	
O=c1c2ccccc2n2c(CCl)nnc2n1Cc1ccc(Cl)cc1	408712869	XZFYVZDEKFXRQI-UHFFFAOYSA-N	359.216	3.485	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	5512187	LVEYLZWFBRBIHC-FYJGNVAPSA-N	370.405	3.041	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1O	825012	BCMYWMFRXWZXAZ-YBFXNURJSA-N	351.318	3.324	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1	7929387	DTBMRPFVOFVEQG-LLVKDONJSA-N	360.753	3.207	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(Br)o2)cc1	10475771	SYZGVCXXRZALPU-LICLKQGHSA-N	351.200	3.134	50	40	FGGB	
CCc1ccc(C(=O)NNC(=O)c2ccc3c(c2)nc(C)n3CC)cc1	8707832	QPVNEXPADNYADF-UHFFFAOYSA-N	350.422	3.002	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2cccc(I)c2)cc1	59518320	LBTKNDYAKIEGJF-LICLKQGHSA-N	364.186	3.364	50	40	FGGB	
CCN1C(=O)/C(=N\NC(=O)CNc2ccc3ccccc3c2)c2ccccc21	13564334	DAGJVVMTYLXNSU-DAFNUICNSA-N	372.428	3.139	50	40	FGGB	
C/C(CC(=O)Nc1cccc(C)c1C)=N\NC(=O)c1ccccc1[N+](=O)[O-]	4690517	KMCHJLKDNCCEPX-FYJGNVAPSA-N	368.393	3.346	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)ccc1OC	6614504	UQWYSQMXPHLJFY-XNTDXEJSSA-N	366.373	3.338	50	40	FGGB	
COc1ccccc1NC(=O)NNC(=O)COc1ccc2ccccc2c1	8169314	VAEZDJBFTYTAMZ-UHFFFAOYSA-N	365.389	3.080	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Cl)c([N+](=O)[O-])c1	30833238	UQMAYVMHYNWSAK-LSCVHKIXSA-N	368.176	3.431	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)NCCCO[C@H](C)c2ccccc2)c(C)o1	32795529	ODUYHZPQGUYHLB-CQSZACIVSA-N	359.426	3.008	50	40	FGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1[C@H]2CCCC[C@@H]12	17720120	QMWBRQVTGBUOAJ-CSQNDMJOSA-N	351.244	3.344	50	40	FGGB	
COc1cccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c1O	408951116	LJSXEYDTUYNCNA-LFIBNONCSA-N	361.401	3.148	50	40	FGGB	
O=C(CN1CCCCC1)N/N=C/c1ccc(OCc2ccccc2)cc1	4359390	YPJPRNMYZZXEAX-PXLXIMEGSA-N	351.450	3.202	50	40	FGGB	
Cc1c(C(=O)NNC(=O)N2CCC[C@H]2c2ccncc2)oc2ccccc12	50096543	YRDJAWBCGDGNJF-INIZCTEOSA-N	364.405	3.328	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2c(C)n(C)c3ccccc23)cc1OC	2309681	AOXYZBFFMRPJNH-LPYMAVHISA-N	365.433	3.197	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)c1	4704901	NBAMHXQYZJAMAG-LGMDPLHJSA-N	363.417	3.077	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1O	408994863	HIXXLPIIMMVPOK-DEDYPNTBSA-N	368.393	3.055	50	40	FGGB	
CC(C)(C)OC(=O)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)nc1	1636413774	MGECXSCUTIKDRA-UHFFFAOYSA-N	367.327	3.211	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1OC	2754490	BVYZXURVLCGEMO-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)c(OC)c1OC	19774935	PQSJKBBLOLMIBO-KRWDZBQOSA-N	354.406	3.204	50	40	FGGB	
Cc1cc(C)nc(SCC(=O)N/N=C\c2c(C)[nH]c3c(C)cccc23)n1	409037527	NWAVIRAFEKFJEH-UKWGHVSLSA-N	367.478	3.434	50	40	FGGB	
CCn1c(=O)n(CC)c2cc(NC(=O)CCCl)c(Br)cc21	408528162	FJSDGHQDUJQXQC-UHFFFAOYSA-N	374.666	3.173	50	40	FGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc2cc([N+](=O)[O-])ccc2s1	33788711	SFLFUQABIDHLGN-QGMBQPNBSA-N	369.358	3.302	50	40	FGGB	
COc1ccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)c(OC)c1	38654603	QATXNEQCZVXYMX-UHFFFAOYSA-N	360.366	3.133	50	40	FGGB	
CCN1C(=O)/C(=N/NC(=O)OC(C)(C)C)c2cc(Br)ccc21	5791780	KVLQOWWPNKASAZ-SFQUDFHCSA-N	368.231	3.044	50	40	FGGB	
CCOC(=O)c1cccc(C(=O)[C@@H](Br)CBr)c1	575362215	OAAUTKIEMZANQO-JTQLQIEISA-N	364.033	3.204	50	40	FGGB	
Cc1cccc(C(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)c1	18169051	IQVOSLVFLXTKJV-UHFFFAOYSA-N	372.222	3.152	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c(OC)c1	408971022	FXCFAXIHQWHORG-RGVLZGJSSA-N	354.362	3.223	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1C[C@@H]1CCCO1	409201555	WHKHKKGCNSQSJB-UDJWRJMGSA-N	364.449	3.041	50	40	FGGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1	409221834	VJEXACQSNDSEEW-AQTBWJFISA-N	350.418	3.360	50	40	FGGB	
C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CI	32629096	UUDFSWKHNPMMAZ-IUCAKERBSA-N	355.216	3.182	50	40	FGGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)[C@H](O)c1ccccc1	5603442	XJEKPXWOGSWMCO-CPOKCXMASA-N	360.413	3.449	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccccc2C(=O)O)c1	3577104	NRJZADQKNNNHIR-SRZZPIQSSA-N	354.406	3.346	50	40	FGGB	
O=C(NNS(=O)(=O)c1ccccc1)c1cc(-c2ccccc2)ccc1F	1857560436	MRSZFKKARPPDOC-UHFFFAOYSA-N	370.405	3.116	50	40	FGGB	
COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C(=O)CCl)c2C)c1	1465862	AVWZOYDPDONNBX-UHFFFAOYSA-N	363.797	3.089	50	40	FGGB	
CCCn1c(=O)c(C(=O)N/N=C/c2ccccc2F)c(O)c2ccccc21	100498551	IFSFHGOCHJNAIO-WSDLNYQXSA-N	367.380	3.020	50	40	FGGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)CNC(=O)c1cccc(Cl)c1	36077408	ZAFPUIVVJUOYOE-YVNNLAQVSA-N	368.824	3.010	50	40	FGGB	
Cc1cc(/C=N\NC(=O)CC(=O)NC(C)C)c(C)n1-c1ccc(Cl)cc1	58913865	YRHPUWMVGMJZQU-NHDPSOOVSA-N	374.872	3.112	50	40	FGGB	
COc1cccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)c1OC	11296408	GLGHRCZCSPBQMQ-SDNWHVSQSA-N	374.404	3.279	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)CCc2nc3ccccc3s2)cc1	6600259	MQCYDZVSIQSQBA-UHFFFAOYSA-N	369.446	3.089	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)C4CCCCC4)ncnc32)cc1C	17120424	SKLYNNACOOXYKV-UHFFFAOYSA-N	364.453	3.456	50	40	FGGB	
O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCSSCC1	89781048	ZCEYXKUWWLXMJG-UHFFFAOYSA-N	371.549	3.240	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(Cl)c1O	45295697	JHFHXLBQYYAAEP-OQLLNIDSSA-N	356.809	3.320	50	40	FGGB	
COc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)c([N+](=O)[O-])c1	809300	MUXAWCSRHIYSPW-RGVLZGJSSA-N	366.333	3.022	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)CNC(=O)c1cccc2ccccc12	4086414	NSZNTNKWQIUDEH-SRZZPIQSSA-N	351.431	3.090	50	40	FGGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	5362345	GZYLRCDBEQKCCV-NNLQFVHNSA-N	359.407	3.072	50	40	FGGB	
CN(C)C(=O)c1ccc(OCC(=O)N/N=C2/C[C@H]3CC[C@@]2(C)C3(C)C)cc1	102167273	UABHWUVWPFLSGG-QGEVKZFVSA-N	371.481	3.086	50	40	FGGB	
N#CCCN(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1	1698042	HTLCEBPJFKIZGZ-UHFFFAOYSA-N	353.378	3.380	50	40	FGGB	
COc1ccc(CC(=O)NNc2ncc(Cl)cc2Cl)cc1OC	3372111	JEDQNLKJMABDDF-UHFFFAOYSA-N	356.209	3.091	50	40	FGGB	
COC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccccc3N)o2)c1	5738266	PJAYEOHXJUCVOY-WSDLNYQXSA-N	363.373	3.079	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C(C)C)cc2)ccc1O	32109224	ABDFZBIZHASDCI-MTJSOVHGSA-N	356.422	3.443	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1OCC	40911381	VLGGNGZMMZWTCX-FYJGNVAPSA-N	356.422	3.322	50	40	FGGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccnc2)C(C#N)=C(N)O1	5482493	YURGKPAUIKTWIF-KRWDZBQOSA-N	366.808	3.455	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C\c1ccc(Br)cc1	30802571	XCFYWTXLOFVWRT-GRSHGNNSSA-N	362.227	3.020	50	40	FGGB	
Cc1ccc(C(=O)N[C@@H](NC(=O)Cc2ccccc2)C(Cl)Cl)cc1	101425547	YOMNFJYJOHFFSA-QGZVFWFLSA-N	365.260	3.214	50	40	FGGB	
N#CC1=C(N)Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccccc1	938964	NFTKPEVWCOWCQE-MRXNPFEDSA-N	360.446	3.279	50	40	FGGB	
O=C(N/N=C/c1cc(Br)c(Br)o1)c1ccco1	1104661	JMONGGVXDYLLKZ-WLRTZDKTSA-N	361.977	3.162	50	40	FGGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1ccc(F)c(F)c1	22652812	WAOOXRNVDPPDKN-UHFFFAOYSA-N	372.327	3.212	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc3ccc(OC)cc3[nH]2)cc1OC	2239730	VLXQUSVYXSBCMS-CIAFOILYSA-N	367.405	3.348	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(OC)c2)cc(OCC)c1O	408854354	DAMIZUJPFQQWGV-FYJGNVAPSA-N	354.406	3.292	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)cc1	44062225	JIXWHOMSMPBYBG-UDWIEESQSA-N	352.346	3.480	50	40	FGGB	
CNc1nc(C)nc(Cl)c1C[C@H](Br)CBr	95890503	WNYQCYJYKZEAKU-LURJTMIESA-N	357.477	3.181	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	5674894	NLQZHEIVIPCVCN-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1	6127598	LLUBGFYQPINWGP-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)c1	851417	LVPOYHMJDDLDJO-UHFFFAOYSA-N	367.232	3.450	50	40	FGGB	
COC(=O)CCCC[C@H]1SC[C@@H](NC(=O)c2ccccc2)[C@@H]1Cl	4817642	CYFNCZCKUMVNJB-FMKPAKJESA-N	355.887	3.241	50	40	FGGB	
CC(C)C(=O)N/N=C\c1ccc(OCC(=O)Nc2ccccc2Cl)cc1	58883319	IYFWIXYBYCDOFX-NHDPSOOVSA-N	373.840	3.464	50	40	FGGB	
COc1ccc2nc(/C(C#N)=C/c3ccc(N4CCOCC4)cc3)[nH]c2c1	9263573	HGTMKZQLHIJQAR-FOWTUZBSSA-N	360.417	3.472	50	40	FGGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(O)cc1O	100060692	YQDIHGVSKYKYQO-FYJGNVAPSA-N	356.422	3.315	50	40	FGGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)C(N)=S)cc2)c1	107612213	OBOBYLTTWVQWMY-XNTDXEJSSA-N	351.431	3.206	50	40	FGGB	
COc1ccc(CNC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	12947354	VFDBLDPWTQOJNG-UHFFFAOYSA-N	355.316	3.420	50	40	FGGB	
CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CCl)nc1C	3885291	REXGLWRHWZJEBZ-UHFFFAOYSA-N	352.843	3.400	50	40	FGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)c1	408785774	BVBDLSCTPBHISB-ZDLGFXPLSA-N	365.433	3.312	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)N[C@H](C)c2ccccc2)cc1	4523557	XQTMRHCJQYPOST-QQHUYRGFSA-N	353.422	3.068	50	40	FGGB	
CCOc1ccccc1C(=O)N/N=C/c1coc2ccc(C)cc2c1=O	15933928	BORSYGNNDGZQIG-SRZZPIQSSA-N	350.374	3.264	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1)c1cccs1	408722901	OBQGVYWIOIVRJW-RQZCQDPDSA-N	357.347	3.386	50	40	FGGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1[N+](=O)[O-])OCO2	96663167	CNQXYKMZWFRCOK-MLPAPPSSSA-N	351.318	3.178	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(I)cc1)c1ccccc1	408712027	WGXADEWKWNBWPZ-GZTJUZNOSA-N	364.186	3.445	50	40	FGGB	
CCOC(=O)[C@H]1CCC/C1=N\NC(=O)CSCc1ccc(Cl)cc1	408720341	ZGTNYDWAQIIVIH-PTJLRZKYSA-N	368.886	3.409	50	40	FGGB	
CN1/C(=C(/C#N)C(=O)COC(=O)c2cccc(O)c2)Sc2ccccc21	18768978	LGQAPRXMWNZUQJ-NBVRZTHBSA-N	366.398	3.095	50	40	FGGB	
Nc1sc(-c2ccccc2)cc1C(=O)NNC(=S)NC1CCCCC1	642566	PPCBRDMZDQOIHB-UHFFFAOYSA-N	374.535	3.439	50	40	FGGB	
CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NNC(=O)CC(C)C	103918418	WFMPAQUZJAEZGF-RGEXLXHISA-N	372.469	3.139	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1	1453583	SOPNPEYJYMFNMX-XNTDXEJSSA-N	365.345	3.317	50	40	FGGB	
Cc1ccc(C(=O)C(=O)NNC(=O)c2cc3c(s2)CCCCCC3)cc1	71848135	OWKJNGOUFKETSI-UHFFFAOYSA-N	370.474	3.359	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)CNc2ccc(F)cc2)cc1OC	409359400	OESNEKPPYJOJPN-ZVBGSRNCSA-N	365.792	3.059	50	40	FGGB	
COC(=O)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	4631495	BONSHFTVXCKZDZ-MRXNPFEDSA-N	372.384	3.081	50	40	FGGB	
O=C(NNC(=O)c1cccc2c(Br)cccc12)c1ccncc1	6251674	OJRJAJCZDNWKIM-UHFFFAOYSA-N	370.206	3.072	50	40	FGGB	
C[C@@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1)C(=O)O	59247959	OKFAWHIVCOYOIU-XTCQQWIJSA-N	354.337	3.223	50	40	FGGB	
CN(NC(=O)C1CCN(c2nc3ccccc3o2)CC1)c1ccccc1	14142204	ISLRKGZADNGCAM-UHFFFAOYSA-N	350.422	3.212	50	40	FGGB	
CC(=O)Nc1ccc(NC(=O)C/C(C)=N\NC(=O)c2cccc(C)c2)cc1	6998797	NILWSVQHRMLVQL-UCQKPKSFSA-N	366.421	3.088	50	40	FGGB	
Cc1ccc(NC(=O)[C@H](NNC(=O)c2ccccn2)c2ccccc2)cc1	15461088	WDRNRTZKRIWKBN-LJQANCHMSA-N	360.417	3.004	50	40	FGGB	
Cc1c(C(=O)NNC(=O)N2CCC[C@@H](C(F)(F)F)C2)oc2ccccc12	84068142	CLWFNEPMCVOOFC-LLVKDONJSA-N	369.343	3.370	50	40	FGGB	
NNC(=O)c1cnc(-c2ccc(Cl)cc2)nc1NCc1ccccc1	223462970	AWSVKNLSVRSQPW-UHFFFAOYSA-N	353.813	3.013	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	3286058	HLMKKJZOWNQDJL-FBJMNJBLSA-N	366.417	3.497	50	40	FGGB	
C/C=C1\C[N@@+]2(CCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	252460044	BDPFMCBRYUSSOJ-RQYYZLMOSA-O	351.470	3.487	50	40	FGGB	biogenic
CC(C)COc1ccc(CC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	2289894	LKVNRJZQKYFOBY-UDWIEESQSA-N	355.394	3.322	50	40	FGGB	
CCn1c(NNC(=O)/C=C/c2cccc(Cl)c2)nc2ccccc2c1=O	32904535	WGWXOGXITKYXEW-ZHACJKMWSA-N	368.824	3.226	50	40	FGGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2)cc1	668152	AAZZCDWVFATMLT-UHFFFAOYSA-N	361.357	3.337	50	40	FGGB	
O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccc(Cl)cc1Cl	3131900	WAYXHJUDOREAKG-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
O=C1OC(=O)[C@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl	100004565	FLBJFXNAEMSXGL-NBESAGDFSA-N	370.830	3.148	50	40	FGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccccc1F	58871335	DOTXUZUVWDGOPH-CIAFOILYSA-N	351.337	3.435	50	40	FGGB	
C/C(=N/NC(=O)[C@@H](C)Oc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCC2	19851064	UYJYPVRKIVNBBH-SFDYMUJDSA-N	367.405	3.391	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)c2ccc(Cl)cc2)cc1	5481565	ZWQWFZWLUAQASY-UHFFFAOYSA-N	360.841	3.478	50	40	FGGB	
C[C@@]1(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1(Cl)Cl	15902335	GKQALMHFLYHXGR-AANXBIRDSA-N	359.297	3.324	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2cc(F)ccc2[nH]1	32755295	IJQTUHLEMWSYGW-UHFFFAOYSA-N	361.760	3.044	50	40	FGGB	
N#C/C(=C\c1cn(CCC(N)=O)c2ccccc12)c1ccc([N+](=O)[O-])cc1	2850942	MEZHYQZQIFUGHP-RVDMUPIBSA-N	360.373	3.489	50	40	FGGB	
CC1(C)[C@@]2(CBr)CC[C@]1(C(=O)O)c1nc3ccccc3nc12	8236859	KPQVWAURDKBYOT-IAGOWNOFSA-N	361.239	3.419	50	40	FGGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	409369751	GAEXOMDFYLLXST-WSDLNYQXSA-N	369.421	3.017	50	40	FGGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1O	409242547	OKSIUJACVVVMFV-PWDRSIHYSA-N	367.361	3.093	50	40	FGGB	
CCN(CC)c1ccc(C=NNC(=O)c2sc(N)c(C#N)c2C)cc1	408730138	NVWWOAMZFBELPX-UHFFFAOYSA-N	355.467	3.121	50	40	FGGB	
Cc1ccn2c(C(=O)N/N=C/c3ccc(Br)cc3)c(C)nc2c1	409008873	NZUICEQLBZSQET-VXLYETTFSA-N	371.238	3.478	50	40	FGGB	
CCOc1ccc(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408872688	OGJZNYMKGMVCKI-GXDHUFHOSA-N	354.337	3.468	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1	213094383	GXZJCWOFMHXHIT-ZSOIEALJSA-N	367.361	3.417	50	40	FGGB	
O=c1nc2n(c3sc4c(c13)CCCC4)[C@H](CBr)CS2	1254957	UGIHUIYATGNEDB-SSDOTTSWSA-N	357.298	3.379	50	40	FGGB	
CN(Cc1ccccc1)C(=O)c1cccc(NC(=O)CBr)c1	35605425	SIVMFZVQBUWIMJ-UHFFFAOYSA-N	361.239	3.292	50	40	FGGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)N1CCN(c2ccccc2)CC1	59333431	RDQRMKZJOGYPLK-VBKFSLOCSA-N	367.836	3.301	50	40	FGGB	
CC/C(=N\NC(=O)CCC(=O)Nc1ccccc1OC)c1ccccc1	13139085	VIMMQUVEANYKEL-CJLVFECKSA-N	353.422	3.344	50	40	FGGB	
CCn1c(NNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)nc2ccccc2c1=O	14246900	DXFSFRKOVVQQNR-GOEBONIOSA-N	354.454	3.098	50	40	FGGB	
COc1ccc(S(=O)(=O)/C(C#N)=C/Nc2ccc(F)c(F)c2)cc1	6719933	ZHJLLJYMUVFYNL-GXDHUFHOSA-N	350.346	3.224	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4C)ncnc32)c(C)c1	7443115	MODDERURNOPEAL-UHFFFAOYSA-N	372.432	3.498	50	40	FGGB	
COc1ccc(COCc2cccc(NC(=O)NNC(=O)C(C)C)c2)cc1	95456150	CYGIXTDKUBGRAF-UHFFFAOYSA-N	371.437	3.221	50	40	FGGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1OC	3175007	HXNXJCWBGZHNEQ-ZICWZVMQSA-N	362.813	3.275	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc([N+](=O)[O-])c1O	14134331	GYYRHDORIQVXNU-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2ccccc2SC[C@H]2CCCO2)n1	21127620	MSUHNALYHASIPM-CQSZACIVSA-N	358.467	3.121	50	40	FGGB	
Cc1cc(Cl)ccc1NC(=O)C(=O)N/N=C/c1ccccc1Cl	3060025	XULYRODMZDUABS-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
N#C[C@H]1[C@H](Br)[C@H](O)c2ccccc2N1C(=O)c1ccccc1	651196	PKNLRSBYSSNFHC-HRCADAONSA-N	357.207	3.036	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)c1	59133427	UIPIVPBLKXVUMQ-ZSOIEALJSA-N	368.389	3.267	50	40	FGGB	
CCOc1ccc2[nH]c(C(=O)N/N=C/c3cccc(OC)c3O)cc2c1	2349605	OAVPBRBAVHYOLY-RGVLZGJSSA-N	353.378	3.045	50	40	FGGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)Nc1ccc(O)cc1	409059730	XIGQCWNIGUMRGQ-KPKJPENVSA-N	372.764	3.055	50	40	FGGB	
C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1	4804875	DHBSMBTVQGTGEN-LFVJCYFKSA-N	365.477	3.449	50	40	FGGB	
O=C(CCl)NC1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1	79412158	QSSIHJGBROADTD-UHFFFAOYSA-N	364.873	3.454	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c1O	59473414	BBOLAVJGFBSYQA-DJKKODMXSA-N	364.854	3.438	50	40	FGGB	
COc1ccc(N2CCN(/C(=C/C#N)c3ccc([N+](=O)[O-])cc3)CC2)cc1	3418630	FWUWQBCVUBQJEF-KEBDBYFISA-N	364.405	3.290	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)c3cc4ccccc4o3)ccc21	8024255	PLUBHLBNOJGKOX-UHFFFAOYSA-N	362.389	3.186	50	40	FGGB	
COc1cccc(C(=O)N/N=C/c2ccc(N3CCCCC3)cc2OC)c1	409235124	AYDBOCQLDITZPB-PXLXIMEGSA-N	367.449	3.458	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccc(F)cc2)C2=C1CC(C)(C)CC2=O	409129201	FSZKCQORSAHJKK-GOSISDBHSA-N	369.440	3.208	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(N2CCCCC2)cc1	33803428	IRVGLWHBEAHHGA-JCMHNJIXSA-N	367.449	3.215	50	40	FGGB	
O=C(NNC(=O)c1cc2cc(Cl)ccc2[nH]1)c1cc2ccccc2[nH]1	199414740	QJVDHTWJLUWZFY-UHFFFAOYSA-N	352.781	3.377	50	40	FGGB	
Cc1cccc(C(O)(C(=O)NNC2CCCCC2)c2cccc(C)c2)c1	825226	VXHZDZOLMPCWMK-UHFFFAOYSA-N	352.478	3.493	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)Cc1ccc(Cl)cc1	2628443	CJLPYJCJYLKNKZ-UHFFFAOYSA-N	353.205	3.006	50	40	FGGB	
CCc1ccc2c(c1)/C(=N\NC(=O)c1cc3ccccc3cc1O)C(=O)N2	8446049	MYHNWWNHGJKQPD-UHFFFAOYSA-N	359.385	3.194	50	40	FGGB	
Cc1ccc(NCC(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)c(C)c1	12534564	VBLQKSLDIXEUST-UHFFFAOYSA-N	371.868	3.248	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1	2372429	BPZLCANOSFKQBJ-VYXQJKENSA-N	355.463	3.177	50	40	FGGB	
COc1c(Cl)cc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C)c21	9015231	ZPJNQNSOWXRWBZ-GFCCVEGCSA-N	351.193	3.252	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCC#N	5130835	MBHNYORCLPHVES-DRHRHSHTSA-N	353.422	3.199	50	40	FGGB	
CC[C@H](Oc1ccccc1)C(=O)NNC(=O)c1cc2ccccc2cc1O	6540484	ONAOJHDWROLOEI-IBGZPJMESA-N	364.401	3.164	50	40	FGGB	
O=C([C@H](F)CCl)N1CCN(C(c2ccccc2)c2ccccc2)CC1	19832353	BKSBTODBFFBUIV-GOSISDBHSA-N	360.860	3.497	50	40	FGGB	
O=C(COc1cccc(F)c1)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	8266091	MIAQGFJUOGIOKP-UHFFFAOYSA-N	373.262	3.275	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)OC)cc1	408794225	IIZXNFOVKCXTTR-SFQUDFHCSA-N	364.401	3.346	50	40	FGGB	
CCN(CC)c1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@H]2C#N)o1	408820802	YVOOGEFDJLCJLO-BIZVEKSISA-N	374.448	3.334	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C\c1cc2ccccc2nc1Cl	30885368	CDPSVSZUDCSBHF-JJFYIABZSA-N	368.824	3.459	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC	13988969	VGLYLBDJBOJFAW-FBJMNJBLSA-N	366.417	3.497	50	40	FGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	7782412	XMXXRUOLVAWEDX-UFFVCSGVSA-N	364.232	3.068	50	40	FGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1c(Cl)cccc1Cl	3136563	IKLDDTGJMWUGGG-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccccc1F	100522988	GTMGHJDRPFYURE-LPYMAVHISA-N	356.401	3.026	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2C(F)(F)F)[C@H]2COCC=C12	20057433	WJLQKSIDXZTGSB-GOEBONIOSA-N	370.334	3.145	50	40	FGGB	
Cc1c(Cl)ccc2c1NC(=O)/C2=N\NC(=O)c1ccc(Cl)s1	17073263	DENGRXLBZXIKIM-UHFFFAOYSA-N	354.218	3.450	50	40	FGGB	
C=CCc1cc(/C=N\NC(=O)Cc2cccc(OC)c2)cc(OCC)c1O	408857786	MOYYYGDOESJSJN-HMAPJEAMSA-N	368.433	3.221	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(Cl)cc1	409189835	JBQOKAGUXWLYFC-RGVLZGJSSA-N	360.797	3.046	50	40	FGGB	
C[C@H](Oc1ccc(/C=N\NC(=O)Nc2ccc(Cl)cc2)cc1)C(=O)O	208350941	RMBPBYBYJSOERW-ORPVNXHJSA-N	361.785	3.348	50	40	FGGB	
Cc1cc(OCCCC(=O)NNC(=O)c2ccccc2F)ccc1Cl	2726397	SXKUBKSSIQMBLB-UHFFFAOYSA-N	364.804	3.408	50	40	FGGB	
Cn1c(=O)c2c(c3ccccc31)OC(N)=C(C#N)[C@H]2c1c[nH]c2ccccc12	20086253	QNSMSANOCGEHNE-SFHVURJKSA-N	368.396	3.238	50	40	FGGB	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CI	32629094	UUDFSWKHNPMMAZ-RKDXNWHRSA-N	355.216	3.182	50	40	FGGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)c1	59515431	CUCUCRNJBBUISE-CIAFOILYSA-N	371.824	3.302	50	40	FGGB	
O=C(O)c1ccccc1C(=O)NNc1ncc(C(F)(F)F)cc1Cl	2569424	HTJZAAZDMFIDGG-UHFFFAOYSA-N	359.691	3.209	50	40	FGGB	
O=C(N/N=C/c1ccccc1)c1ccc(C(=O)N/N=C/c2ccccc2)cc1	4263144	BQAPXQGYQZHJKF-DFEHQXHXSA-N	370.412	3.214	50	40	FGGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)c(C)c1	408859451	UKFFWIYAIVZKIO-LPKQHDGYSA-N	355.394	3.311	50	40	FGGB	
NNC(=O)c1cc(Br)ccc1OCc1ccc(Cl)cc1	226319308	JVBGZLSHLVEYRN-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)O)cc2)cc1C	16409023	MWPUITWTXWABDA-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1ON(Cc2ccccc2)[C@H]2C(=O)OC[C@H]12	953105894	VBEBZLQDMDXHNZ-IXDOHACOSA-N	363.530	3.366	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@@H]2CSCC=C12	1061488	MWSQBNLQCJIDNT-ZBFHGGJFSA-N	352.850	3.497	50	40	FGGB	
O=C(CCCCl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1	6276467	GHTUFWGTRIPFQH-UHFFFAOYSA-N	350.768	3.500	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OC(F)F)cc1	3176619	GAGABEYWCFQYST-AWQFTUOYSA-N	354.740	3.471	50	40	FGGB	
O=C(NNC(=S)Nc1ccccc1)c1ccc(Br)cc1	1462844	KTAQJDURZVWWGS-UHFFFAOYSA-N	350.241	3.081	50	40	FGGB	
C/C(=N\NC(=O)CN1C(=O)c2cccc3cccc1c23)c1ccccc1O	106824814	OMQLPSXCTQSKSZ-LPYMAVHISA-N	359.385	3.046	50	40	FGGB	
CO[C@@H](C(=O)N/N=C/c1cccc(OC2CSC2)c1)c1ccccc1	59472897	QECFNFOKUUQBDO-JLWFYQMASA-N	356.447	3.019	50	40	FGGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1ccc(Cl)c(Cl)c1	59459592	PQYMBVJKKUZJJL-VXLYETTFSA-N	356.253	3.283	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(Br)o1)c1ccc([N+](=O)[O-])cc1	15938353	RJTCHWUEAJPDRE-OVCLIPMQSA-N	352.144	3.104	50	40	FGGB	
CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1cc(C)ccc1C	408707851	MDZALBZLYNDXGR-SSDVNMTOSA-N	372.856	3.287	50	40	FGGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)cc3)CC2=O)cc1	409265512	VIECDKGKULCNGR-YSUUHWHMSA-N	369.852	3.406	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	820431	VAWJDHZLJPOUFA-XQNSMLJCSA-N	360.413	3.081	50	40	FGGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc([N+](=O)[O-])s1	881081	MONWEZTWROZSCQ-VCHYOVAHSA-N	355.375	3.339	50	40	FGGB	
CO[C@@H]1C[C@H](N=[N+]=[N-])[C@H](OC(=O)c2ccccc2)[C@H](CBr)O1	5431182	HMZBDIASJKIJQB-CYDGBPFRSA-N	370.203	3.047	50	40	FGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2ccc(C)cc2nc1Cl	925144	XXRNVGBCKLHKKL-INIZCTEOSA-N	369.808	3.451	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c[nH]nc1-c1ccc(F)cc1	1087808	FMARNIFSRQDVHV-INIZCTEOSA-N	350.353	3.031	50	40	FGGB	
N#C/C(=C/c1ccccc1)C(=O)OCCOC(=O)/C(C#N)=C\c1ccccc1	96837545	AZTONRAYEPZDKC-AXPXABNXSA-N	372.380	3.287	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc3cc(OC)ccc3[nH]2)cc1OC	2227876	YQFGOROADKVPBS-CIAFOILYSA-N	367.405	3.348	50	40	FGGB	
COC(=O)c1[nH]/c(=N/C(=O)CCCC[C@@H]2CCSS2)sc1C	95472113	LHRYCWNDBGUBEN-SNVBAGLBSA-N	360.526	3.313	50	40	FGGB	biogenic
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1	9096090	WETMXZWUGSHZCY-CIAFOILYSA-N	364.357	3.417	50	40	FGGB	
CCCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OC	5044932	APDLTSYKHNGKFP-QGZVFWFLSA-N	354.410	3.124	50	40	FGGB	
N#Cc1ccc(/C=N/NC(=O)CCC(=O)Nc2ccccc2Cl)cc1	4525797	LWJMGOLWLNPTJF-CIAFOILYSA-N	354.797	3.081	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(O)c(Cl)c2)cc1Cl	409154659	PLUDCNLERHKWMI-UFWORHAWSA-N	366.204	3.096	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@H]1c1ccco1	409133413	LPGITXXVWAMOBN-LLVKDONJSA-N	371.393	3.129	50	40	FGGB	
COc1ccc(NCC(=O)N/N=C/c2ccc(Br)cc2)cc1	1021307	PMUVGHCZYFDTSB-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccc(Br)c1	704706	GCIVUOPADWJTRM-VGOFMYFVSA-N	354.185	3.183	50	40	FGGB	
C[C@@H](/C(O)=C(\C#N)c1nc2ccccc2[nH]1)N1C(=O)c2ccccc2C1=O	102524951	NMBBWGPJVBCVQU-KFZGLNKMSA-N	358.357	3.040	50	40	FGGB	
N#CC1=C2SC[C@@](O)(c3ccccc3)N2C(=O)C[C@@H]1c1cccs1	1066280	RBQXDCBQVOXYDO-SCLBCKFNSA-N	354.456	3.391	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)OC(C(C)(C)C)=C2C#N)c(OC)c1OC	1237014	OKBTVERIJZIXQN-OAHLLOKOSA-N	369.421	3.344	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(OC)c(Br)c2)cc1	1436390	RMBGCSFYQORZLE-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
Cc1ccc2[nH]c(C)c(/C=N\NC(=O)CSc3nc(C)cc(C)n3)c2c1	409030994	GDRJUMDOBSRNHZ-UKWGHVSLSA-N	367.478	3.434	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC	408881241	MIRHBMLHAXINEG-NTEUORMPSA-N	367.361	3.466	50	40	FGGB	
Cn1c(SCC(=O)N/N=C2/CCc3ccccc3N2)nc2ccccc21	18046621	JQQDKCGTFJANSZ-UHFFFAOYSA-N	365.462	3.153	50	40	FGGB	
Cc1c(C(=O)NNC(=O)N2CCC[C@@H]2c2ccncc2)oc2ccccc12	50096542	YRDJAWBCGDGNJF-MRXNPFEDSA-N	364.405	3.328	50	40	FGGB	
NC(=O)c1ccc(C(=O)N/N=C(/Cc2ccccc2)c2ccccc2)cc1	15934588	DETZNHFPQTVUKG-GFMRDNFCSA-N	357.413	3.162	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(OC)cc2)cc1OCC	409317465	QIIMJIRRBCNZSQ-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)cccc1[N+](=O)[O-]	408861359	QXADOKIGUHOZBG-DJKKODMXSA-N	371.418	3.161	50	40	FGGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1)C(N)=O	408758484	KUEIKLFAQCFIHT-UKTHLTGXSA-N	371.190	3.061	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C\c3ccc(Cl)cc3)CC2=O)cc1	35153203	KMYJYRIYKMRULU-ZGFXFUDXSA-N	355.825	3.152	50	40	FGGB	
CCCOc1ccc(CCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	2194955	QVSPTZGFPSOQOI-FYJGNVAPSA-N	354.406	3.287	50	40	FGGB	
CCOC(=O)/C(C#N)=C/C=C\C(C)=C/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	17139586	GHHVSGXYOHXDPS-JREHKGCKSA-N	372.337	3.388	50	40	FGGB	
N#C/C(=C/c1cc(Cl)cc([N+](=O)[O-])c1O)C(=O)NCc1ccccc1	6223135	ODGNKBABEGYBSQ-MLPAPPSSSA-N	357.753	3.177	50	40	FGGB	
CC(C)(CC(=O)O)CC(=O)NNC(=O)c1sc2ccccc2c1Cl	12818346	ZKAJDHVEZHAZOR-UHFFFAOYSA-N	368.842	3.207	50	40	FGGB	
Cc1cccc(OCCOc2ccc(Cl)cc2/C=C(/C#N)C(N)=O)c1	4550526	LHNMZUOWXKXWDK-GDNBJRDFSA-N	356.809	3.499	50	40	FGGB	
COc1ccc(C(=O)NNc2nc3c(OC)ccc(C)c3s2)c(OC)c1	4121471	RCSYAMNPQLRGAK-UHFFFAOYSA-N	373.434	3.387	50	40	FGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)CCc2ccccc2)c(OC)c1	951062	SXEACQUAPAONEY-SFQUDFHCSA-N	365.385	3.313	50	40	FGGB	
C[C@@H]1CCc2sc(C(=O)NNC(=S)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2C1	102971504	OGPMJXQUTHSNCF-HKUMRIAESA-N	363.552	3.170	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)cc2OC)cc1	408711650	CWDNXWZIGCCMKX-KGENOOAVSA-N	356.422	3.185	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2ccc(O)c(Cl)c2)cc1OC	409313226	IEYIXPGGCVLXSQ-JAIQZWGSSA-N	360.797	3.383	50	40	FGGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1cc(O)ccc1O	409098820	MDBHMKAYYAVMGD-FYJGNVAPSA-N	356.422	3.315	50	40	FGGB	
C[C@@H](CC(=O)c1ccco1)NS(=O)(=O)c1ccc(CCCCl)cc1	89894738	VIEPGGQYFUMJGJ-ZDUSSCGKSA-N	369.870	3.391	50	40	FGGB	
O=C(CC(=O)N/N=C\c1c(Cl)cccc1Cl)NCc1ccccc1	4905608	SONVDDIOMCJVPA-NHDPSOOVSA-N	364.232	3.150	50	40	FGGB	
C[C@H](NC(=O)NNC(=O)c1ccccc1)c1ccccc1Br	45127580	YMNJCRRVDSTFDH-NSHDSACASA-N	362.227	3.154	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc(C)nc2ccccc12	3397165	WKAGZQNELHQEJI-UHFFFAOYSA-N	369.808	3.280	50	40	FGGB	
N#C/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)Nc1ccccn1	7141204	XDVHEWHKAZLLPM-RVDMUPIBSA-N	363.377	3.136	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1)c1ccc(F)cc1	408723641	YQCJDCWTEVJUOI-KEBDBYFISA-N	369.308	3.463	50	40	FGGB	
O=C(N/N=C\c1ccc(F)cc1)[C@H]1COc2cc3ccccc3cc2O1	30802506	HBZUOWFGPQYZQO-VCYKRWNGSA-N	350.349	3.269	50	40	FGGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)NCc1ccccc1	33305940	CVWNXSJDILUZNI-AQTBWJFISA-N	371.396	3.399	50	40	FGGB	
CN(NC(=O)OCc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1	1629901230	PTOLEGLDJVDTRK-UHFFFAOYSA-N	353.300	3.014	50	40	FGGB	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)NCCc2ccccc2)c1	47168737	CZWPXESDPDHLCS-LDADJPATSA-N	372.428	3.351	50	40	FGGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1	17074511	PEDCCZDTACRSBB-INIZCTEOSA-N	362.364	3.443	50	40	FGGB	
CCC[C@@H](C(=O)NNc1nc2ccccc2c(=O)n1CC)c1ccccc1	9856896	IGWOXLGVWQKROW-MRXNPFEDSA-N	364.449	3.443	50	40	FGGB	
O=C(N/N=C\c1ccc(Sc2ccccn2)o1)c1ccccc1[N+](=O)[O-]	32921011	SGLOCNQLYFWWTN-ODLFYWEKSA-N	368.374	3.498	50	40	FGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1O	4005091	JTFJZVAGCAHSDN-KRWDZBQOSA-N	374.400	3.399	50	40	FGGB	
N#CC(C#N)=CNc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1	3368044	NVWPHKDLDJOXOZ-UHFFFAOYSA-N	358.810	3.484	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)COc2ccc(C)cc2[N+](=O)[O-])cc1	13847780	ZNQVVWBYZRFQQK-VCHYOVAHSA-N	359.407	3.154	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)cc2)c(OC)c1	4402158	YPZGEFPHBTURDZ-HYARGMPZSA-N	369.421	3.147	50	40	FGGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1	7209801	XZOOPSJDZPTPSD-FOWTUZBSSA-N	358.401	3.201	50	40	FGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1O	8566311	SFGPLIRUVOUWGF-CQSZACIVSA-N	366.402	3.071	50	40	FGGB	
C[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C\c1ccc(Cl)cc1Cl	4697574	BACBFTDLQQOQSJ-BPXUPMHTSA-N	364.232	3.262	50	40	FGGB	
C[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CI	32629098	UUDFSWKHNPMMAZ-BDAKNGLRSA-N	355.216	3.182	50	40	FGGB	
CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2C)c(O)c1	15930499	VXAOWMJBJCYURR-XKZIYDEJSA-N	354.454	3.109	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1ccc(N(CC)CC)cc1	3140494	IAOFWIXINCBUDY-PXLXIMEGSA-N	369.465	3.461	50	40	FGGB	
Cc1nc2ccc(F)cc2cc1C(=O)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	36077539	VPPZARLIEKQSEI-AWQFTUOYSA-N	368.324	3.060	50	40	FGGB	
O=C(N/N=C/c1ccccc1F)C(=O)Nc1cc(Cl)cc(Cl)c1	33749872	KOBTUBDIVCNYHO-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
CC(C)(C)OC(=O)CCOCCOCCSSCCN=[N+]=[N-]	888086772	HWZBIMRMCUSFIG-UHFFFAOYSA-N	351.494	3.443	50	40	FGGB	
O=C(NNC(=O)C1CCCC1)c1ccccc1OCCOc1ccccc1	5824893	YZFCUEDMARRGSQ-UHFFFAOYSA-N	368.433	3.096	50	40	FGGB	
Cc1ccc2sc(NNC(=O)[C@@H]3COc4ccccc4O3)nc2c1C	4121438	MNROIKIQIXVNMC-AWEZNQCLSA-N	355.419	3.196	50	40	FGGB	
O=C(/C=C/c1ccco1)Oc1ccc(/C=N/NC(=O)c2ccncc2)cc1	3031479	KYVRBSXKINGRNS-NAVQUYGWSA-N	361.357	3.057	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccc(C)cc2)ccc1O	59473730	YVWGSVQMJYFKGJ-RGVLZGJSSA-N	358.463	3.483	50	40	FGGB	
CCCCCCCCCCS(=O)(=O)Nc1ccc(C(=O)NN)cc1	104341768	MVDFOCJYSFFBNH-UHFFFAOYSA-N	355.504	3.173	50	40	FGGB	
O=C(CN1CCCCC1)N/N=C/[C@@H]1[C@H](c2ccccc2)C1(Cl)Cl	4520494	KKQDKBORWGZQOI-KNTPFCCGSA-N	354.281	3.162	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)C(=O)NN=C2CCCCCCC2)cc1	4871465	XLJGARMBWGNRNF-UHFFFAOYSA-N	359.426	3.018	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N\NC(=O)c1cc2ccccc2o1	408850173	HKGKOPPCRYOCHK-YQODDJSKSA-N	360.373	3.187	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CNc2ccc(Cl)cc2)cc1OC	409366345	ULSOYOHWKVSOJX-CIAFOILYSA-N	361.829	3.310	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=N/NC(=O)c1ccc(C)c(Cl)c1	409053290	BTPMRWMPLMXGDA-SRZZPIQSSA-N	374.824	3.354	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(I)o1	408721190	MACPNCVFFIAHMQ-NGXLKJSHSA-N	372.206	3.161	50	40	FGGB	
[C-]#[N+][C@H](c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	95686566	WNPVZANXRCPJPW-SFHVURJKSA-N	361.419	3.413	50	40	FGGB	
Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccc([N+](=O)[O-])o1	832202	KPPSKFHMNZTGQL-VXLYETTFSA-N	359.382	3.323	50	40	FGGB	
Cc1cc(C)c(S(=O)(=O)Sc2nnnn2-c2ccccc2)c(C)c1	5573035	BBAFUKNFYNNPSB-UHFFFAOYSA-N	360.464	3.069	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)Cc2ccccc2)cc1OCC	14134878	MPOTYJANZLMCJX-HYARGMPZSA-N	370.836	3.444	50	40	FGGB	
O=C(N/N=C/c1cccc(F)c1)c1ccn(Cc2ccc(Cl)cc2)n1	673471	WNWDCJBPVVXQJU-SRZZPIQSSA-N	356.788	3.488	50	40	FGGB	
CCOC(=O)c1ccc2nc(C)c3c(c2c1)O[C@@H](CBr)C3	854038	INCUJUJOMJWUSM-LLVKDONJSA-N	350.212	3.418	50	40	FGGB	
O=C(N/N=C/c1ccc(Br)s1)c1ccc([N+](=O)[O-])cc1	1957791	UTXNTDHFOKRLKH-VGOFMYFVSA-N	354.185	3.183	50	40	FGGB	
O=c1c2c3c(sc2nc2n1C[C@@H](CBr)S2)CCCC3	1929744	VSPIOTMBCZABLF-SSDOTTSWSA-N	357.298	3.206	50	40	FGGB	
O=c1c2ccccc2n2c(CCl)nnc2n1CCc1ccc(F)cc1	408712676	GXJBICJASAWVOS-UHFFFAOYSA-N	356.788	3.165	50	40	FGGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)NCCc1c[nH]c2ccccc12	408953118	OTXAOHBPMWZRKB-YBEGLDIGSA-N	360.373	3.342	50	40	FGGB	
CC(C)(C)c1n[nH]c2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	4548348	FPRASYRHJBBQDN-GFCCVEGCSA-N	373.800	3.487	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1	4723940	NWRARRPZNCTKGZ-MHWRWJLKSA-N	360.417	3.040	50	40	FGGB	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NNC(=O)c1cccs1	9449345	WSBZBTPHWXZOLY-NSHDSACASA-N	352.843	3.247	50	40	FGGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@H](C)CC	408815833	VDSRDHQHEFVHPH-ZMTLZGASSA-N	361.239	3.283	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cnn(C2CCCC2)c1	253404901	RMBIKFDFMXEMSI-QGZVFWFLSA-N	352.438	3.449	50	40	FGGB	
O=C(COc1ccccc1Cl)NNC(=O)c1cc2c(s1)CCCC2	5273006	OBLOCUSFQFKERG-UHFFFAOYSA-N	364.854	3.120	50	40	FGGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1c(C)[nH]c(C#N)c1C)C(C#N)=C(N)O2	1088723	VAIPTORIYSPZBN-LJQANCHMSA-N	370.416	3.216	50	40	FGGB	
CCCc1n[nH]c2c1[C@H](c1ccc(N(CC)CC)cc1)C(C#N)=C(N)O2	1065971	SXSIEYHTQLTUBR-QGZVFWFLSA-N	351.454	3.427	50	40	FGGB	
COc1cc(N2CCCCC2)ccc1/C=N\NC(=O)c1cccc(O)c1	409243518	RXEMQWRBWUJTAU-STZFKDTASA-N	353.422	3.155	50	40	FGGB	
O=C(NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1	40158856	RYNVSLDYBBSEFL-XMTFNYHQSA-N	356.372	3.019	50	40	FGGB	
CC[C@H](Cl)C1=NC(C)(C)[C@H](C(C)=O)N1S(=O)(=O)c1ccc(C)cc1	24718470	KXGLWSOHMITUQH-GJZGRUSLSA-N	370.902	3.151	50	40	FGGB	biogenic
CCOC(=O)/C(C#N)=C1/C(=O)N2c3c1cc(OC)cc3[C@@H](C)CC2(C)C	2358257	BZZIVWSUSFNLMF-RJLNKPMYSA-N	354.406	3.168	50	40	FGGB	
Cc1ccc(S(=O)(=O)Nc2cc3c4c(cccc4c2)C(=O)OC3=O)cc1	102628926	UZHZODDNLBHKIG-UHFFFAOYSA-N	367.382	3.260	50	40	FGGB	
O=C(Cc1ccccc1)NN[C@@H](C(=O)Nc1ccccc1)c1ccccc1	8986724	LMRMNWTYBFDHMP-OAQYLSRUSA-N	359.429	3.230	50	40	FGGB	
COc1ccc(CC(=O)N/N=C2/Nc3cccc4cccc2c34)cc1OC	2309482	JOSGPSFWQQWVAJ-UHFFFAOYSA-N	361.401	3.303	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc4c(c3)OCO4)ccc21	5160620	JSMXYTASGNKVJE-WSDLNYQXSA-N	364.405	3.247	50	40	FGGB	
CCCCCC(=O)NNC(=S)NC[C@H](Cl)Cc1cccc(C)c1	5214262	OSXVSKPVWOPHIF-OAHLLOKOSA-N	355.935	3.221	50	40	FGGB	
N#C/C(=C\c1cccn1-c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(O)cc1	15013722	PDHJZYQSPUJOQK-NTCAYCPXSA-N	373.368	3.427	50	40	FGGB	
COc1cc(OC)cc(C(=O)NNc2nc3ccc(OC)cc3s2)c1	4121389	ORKLOPQCUVIFQU-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc[nH]1	11692807	KUZGGEYWRAZOFL-MHWRWJLKSA-N	368.400	3.353	50	40	FGGB	
COc1ccc(OC)c(/C(C)=N/NC(=O)c2cc3cc(OC)ccc3[nH]2)c1	9095111	VSZPLQODACQYBX-WSDLNYQXSA-N	367.405	3.348	50	40	FGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2ccncc2)c(C#N)c1C	408545987	BLKNESAVQBDGHO-RIYZIHGNSA-N	365.414	3.219	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cccc(OC)c2)C(C#N)=C(N)O3)c1	6733519	VAMVQWYALDNEGO-QGZVFWFLSA-N	374.400	3.312	50	40	FGGB	
CN(C)c1oc(/C=N\NC(=O)Nc2ccccc2)cc1Br	408847662	QYJIVIYTTBHYPK-SXGWCWSVSA-N	351.204	3.264	50	40	FGGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(Br)o1	83325806	RHRJKMNROQCIPO-VZWMTCDZSA-N	351.200	3.006	50	40	FGGB	
CCOc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCC(=O)O	15009241	CAYYODZSJCITEZ-GXDHUFHOSA-N	363.373	3.489	50	40	FGGB	
CC1(CC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)SCCS1	6348142	PIYMKSLJMJNWQO-OVCLIPMQSA-N	359.860	3.285	50	40	FGGB	
O=C(N/N=C\C=N\NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	13371679	VIACHDBFUACSJH-KFSYKRRRSA-N	363.204	3.125	50	40	FGGB	
CCOC(=O)C(=O)Nc1nc(-c2ccc(CCCl)cc2)c(C)s1	4105123	FRQNRBLWQITFSC-UHFFFAOYSA-N	352.843	3.401	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)c(C)c1	408779805	KVZDHDXZQQAYQF-CYVLTUHYSA-N	361.445	3.259	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1	409254178	DCIYLVBDBKTYIF-DKSCHZSNSA-N	361.854	3.213	50	40	FGGB	
CC(C)(C)[C@]1(OCBr)C(=O)C=NC=NN1Cc1ccccc1	28294507	XNLCYBPMKRUNBG-MRXNPFEDSA-N	366.259	3.197	50	40	FGGB	
CCOC(=O)[C@@H](CC)/C(C)=N\NC(=O)COc1ccc(Cl)c(C)c1	408957421	UJUXXQHGTPYXDE-YQNUULROSA-N	354.834	3.109	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)C(=O)NCc1ccco1	2237718	LONJXNPQJIFRTP-JLHYYAGUSA-N	362.341	3.461	50	40	FGGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	13424475	YVNPUMFKWFPPHZ-DHDCSXOGSA-N	363.329	3.077	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)OCCI	1732316	CYFPFEFZNVBCLN-UHFFFAOYSA-N	374.989	3.350	50	40	FGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccccc1O	993603	DYKRKTRGUOCZGI-RGVLZGJSSA-N	354.797	3.304	50	40	FGGB	
Cc1nn(CCP(=O)(c2ccccc2)c2ccccc2)c(C)c1[N+](=O)[O-]	1817738	MQLLFTPDCLLAKI-UHFFFAOYSA-N	369.361	3.422	50	40	FGGB	
N#CC(C(=O)COC(=O)Cc1c[nH]c2ccccc12)=C1Nc2ccccc2N1	4036629	XQHFBQOZGNRPRI-UHFFFAOYSA-N	372.384	3.095	50	40	FGGB	
O=C(CN1CCCCC1)N/N=C/[C@@H]1[C@@H](c2ccccc2)C1(Cl)Cl	4520493	KKQDKBORWGZQOI-VFVGTBRASA-N	354.281	3.162	50	40	FGGB	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2nnc3n2CCCCC3)c1C	8220917	WFAWAOGTCQHNGX-GXDHUFHOSA-N	353.426	3.190	50	40	FGGB	
CCc1ccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)cc1	8685019	YQPXBPLJPPCKJT-UHFFFAOYSA-N	365.405	3.482	50	40	FGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	408858644	ZZRKFSRUTRIHHZ-RVDMUPIBSA-N	350.349	3.392	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccccc1	409005042	CEFPCGLLOQONAO-CPNJWEJPSA-N	353.382	3.351	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c(C)c1	408904988	ROGUJYHVMHCCGZ-GRSHGNNSSA-N	353.334	3.422	50	40	FGGB	
O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)C(Cl)Cl	2780416	FCEQJILFKPWXHV-UHFFFAOYSA-N	374.096	3.369	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1ccc(F)c(Cl)c1	23217752	SQTCHPJHWAGTES-KPKJPENVSA-N	374.755	3.488	50	40	FGGB	
CC1(C)[C@]2(C(=O)Nc3cccnc3)CC[C@@]1(C)C(=O)[C@H]2Br	6859223	DDVDWFCVOIQBSE-XFBWCDHKSA-N	351.244	3.179	50	40	FGGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccccc2C)c2ccccc21	9201187	OTQPUFKROHFTPE-WSDLNYQXSA-N	363.417	3.277	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)ccc1O	12844066	XDCOSTCUBLLZIH-SRZZPIQSSA-N	356.422	3.245	50	40	FGGB	
CCc1n[nH]c2c1[C@@H](c1ccc(Br)s1)C(C#N)=C(N)O2	4102573	HLGJPLKOLRFWEZ-SNVBAGLBSA-N	351.229	3.014	50	40	FGGB	
C/C(=N/NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccc(Cl)cc1	5024914	OJFCMFIOZLSWIH-BWXIOLLUSA-N	355.825	3.010	50	40	FGGB	
CC1=C(C)C[C@H](C(=O)NNC(=O)c2csc3ccccc23)[C@@H](C(=O)O)C1	4651616	ZLPFULBYYWFGQN-KBPBESRZSA-N	372.446	3.110	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cnccn1	67194092	NWJRPDGKTSFXKB-ZBKNUEDVSA-N	371.740	3.062	50	40	FGGB	
O=C(Cc1ccc(F)cc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	409251839	QKPRYDVAUIJDJH-WSDLNYQXSA-N	366.348	3.477	50	40	FGGB	
O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccc(Cl)cc1	408754951	XGJWLGFLLQMRHD-UWVJOHFNSA-N	354.168	3.221	50	40	FGGB	
Cc1ccccc1CSCC(=O)N/N=C/c1ccc(OCC#N)cc1	408877461	WAKHPZAMCQMIBF-CIAFOILYSA-N	353.447	3.281	50	40	FGGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)cc1	409326504	LCJGGYQBHBFRBM-JCMHNJIXSA-N	366.417	3.260	50	40	FGGB	
N#C/C(=C\c1ccccc1C(=O)O)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408925603	SIMWNQBTXDBXDM-YRNVUSSQSA-N	371.736	3.492	50	40	FGGB	
CCCCOc1ccc(C(=O)NCC(=O)N/N=C/c2sccc2C)cc1	4086380	FOGPGYIYJZMUBA-CIAFOILYSA-N	373.478	3.116	50	40	FGGB	
N#CC(C#N)=C(N1CCCCC1)[C@@]1(C#N)[C@H](c2ccccc2)C1(C#N)C#N	35325184	SRSOKKYNHVXFQA-WIYYLYMNSA-N	352.401	3.115	50	40	FGGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc([N+](=O)[O-])cc1	13618703	INOWVEZWVOAPAD-WQRHYEAKSA-N	353.338	3.040	50	40	FGGB	
CN1/C(=C(\C#N)C(=O)CSc2nnc(C(C)(C)C)o2)Nc2ccccc21	58357833	XFEAPDRYUDMYPU-RVDMUPIBSA-N	369.450	3.325	50	40	FGGB	
N#C/C(C(=O)Nc1ccc(Br)cc1)=C1/C(=O)Nc2ccccc21	408746387	YUDVWVIQHJFYQO-SQFISAMPSA-N	368.190	3.317	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(OC)c(OC)c(OC)c2)cc1	3617441	PRWWVIIXPLUAHI-NTEUORMPSA-N	368.389	3.267	50	40	FGGB	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3nc[nH]n3)C3=C2C(=O)CC(C)(C)C3)cc1	5442967	DZFPPIPJPSXMSE-QGZVFWFLSA-N	374.448	3.054	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)[C@H](C)O	4679985	XYFQNQHZZWTVDL-WASCAKKMSA-N	353.422	3.004	50	40	FGGB	
CCc1ccc(OCC(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)cc1	4864523	NJLFQIQOFMTHCY-XQNSMLJCSA-N	362.433	3.354	50	40	FGGB	
Cc1n[nH]c2c1[C@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C(C#N)=C(N)O2	4815738	HMWPNLXCYARKDD-INIZCTEOSA-N	363.333	3.105	50	40	FGGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(Br)o2)cc1	408997929	PAJQBMQJUBMVFD-PXNMLYILSA-N	369.240	3.293	50	40	FGGB	
O=C(ON1C(=O)CCC1=O)c1ccc(CSSc2ccccn2)cc1	102280884	VNWUUFREFCAFEV-UHFFFAOYSA-N	374.443	3.243	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccc(NC(C)=O)c2)ccc1OC(C)C	5977177	HBBYRHWUMDXABZ-CIAFOILYSA-N	369.421	3.205	50	40	FGGB	
C[C@@H](Sc1cccc[n+]1[O-])C(=O)/C(C#N)=C1/Nc2ccccc2S1	102376608	JMBUFLPUVRTNAA-NVGQTZGUSA-N	355.444	3.323	50	40	FGGB	
CCOc1ccc(NC(=O)CCC(=O)N/N=C(\C)c2ccccc2O)cc1	6845019	FSSAIWWWRLGVKT-HYARGMPZSA-N	369.421	3.050	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C/c1cc2cc([N+](=O)[O-])ccc2nc1Cl	408728527	OCSLNEALBWTCGR-RGVLZGJSSA-N	368.780	3.489	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@@H](c2cccs2)N2C(=N1)SC(C#N)=C2N	408605637	MPPWHFDTGPSSEL-CYBMUJFWSA-N	360.464	3.085	50	40	FGGB	
IC[C@H]1CSc2nnc3c4ccccc4nc-3n21	40165644	WUJYHWNOWRQDST-ZETCQYMHSA-N	368.203	3.013	50	40	FGGB	
Cc1ccc(S(=O)(=O)/N=C2/C(=C(C#N)C#N)c3ccccc3N2C)cc1	5337626	DRRUPIYCRFTNCB-QOCHGBHMSA-N	362.414	3.033	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)c1	8339051	JFWFRCOKTPMZTQ-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1458037	BJCCHIJLARAVRS-NJDFMEINSA-N	361.785	3.474	50	40	FGGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccncc1)C(C#N)=C(N)O2	629596	VCXICXJQDSXXEZ-KRWDZBQOSA-N	363.808	3.447	50	40	FGGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1cccc(O)c1	102976214	FPQOUHHVQSBMPJ-BSYVCWPDSA-N	371.396	3.073	50	40	FGGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(C(=O)N/N=C/[C@@H]2CC=CCC2)o1	1001457	IOVQKGPQDKIODC-DWZIMECJSA-N	368.437	3.423	50	40	FGGB	
Cc1cc(CSCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc(C)c1O	1021264	IGDSDVQPOOCDDN-DJKKODMXSA-N	373.434	3.301	50	40	FGGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1cccc(Br)c1	59434237	IVCMITYVNORHSD-UHFFFAOYSA-N	354.248	3.460	50	40	FGGB	
Cc1c(/C=N/NC(=O)COc2cccc(N(C)C)c2)c2ccccc2n1C	59248486	JIMUSOVOKXUAAU-LPYMAVHISA-N	364.449	3.082	50	40	FGGB	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(N)=O)c1Cc1cccc(Cl)c1	3416174	AUOGTNRGTMJHRJ-UKTHLTGXSA-N	371.824	3.136	50	40	FGGB	
N#CC1=C(SCC(=O)c2ccc(F)cc2)NC(=O)[C@H](C#N)C12CCCC2	4592621	LXGIKWKFLAJJLM-AWEZNQCLSA-N	369.421	3.307	50	40	FGGB	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1	6616828	FEIAUMVEEDIHDA-LASGFXPTSA-N	373.453	3.114	50	40	FGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	408526531	CJYQLFXXCZTYBP-CIAFOILYSA-N	364.357	3.174	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Cl)cccc1[N+](=O)[O-]	408842423	OUSHTWSUVNUZLT-CAOOACKPSA-N	362.729	3.229	50	40	FGGB	
COc1ccc2ccccc2c1[C@H]1CC(=O)N2CN(C)CSC2=C1C#N	20533379	FKDYXZIMENMOCZ-HNNXBMFYSA-N	365.458	3.493	50	40	FGGB	
CC(C)c1c(C(=O)NNC(=O)c2ccco2)cnn1-c1cccc(Cl)c1	32794908	HUPSGODINOZOFE-UHFFFAOYSA-N	372.812	3.317	50	40	FGGB	
COc1cc(C(=O)NNc2ccc(C)c(Cl)c2)cc(OC)c1OC	12926513	KOPMCANRASETJL-UHFFFAOYSA-N	350.802	3.431	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1	13563274	RZQOLJANTYUVQV-CIAFOILYSA-N	354.435	3.204	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(OC(F)F)cc2)cc1OC	5164075	MDCBSZMUZKJJRT-SRZZPIQSSA-N	364.348	3.459	50	40	FGGB	
O=C(CCc1ccco1)NNC(=O)c1ccc(OCc2ccccc2)cc1	9314643	OVDSZZMRVWHCBY-UHFFFAOYSA-N	364.401	3.252	50	40	FGGB	
CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1	20244087	XCQGDPBIITUIFQ-WSDLNYQXSA-N	371.412	3.339	50	40	FGGB	
CCOC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1ccccc1F	32624783	YYRRJWVOFDVLHY-UHFFFAOYSA-N	369.352	3.414	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccnn1C1CCCC1	253409275	ZWYMLTHTWKAFSU-QGZVFWFLSA-N	352.438	3.449	50	40	FGGB	
O=C(N/N=C/c1ccc(F)s1)c1ccn(COc2ccc(F)cc2)n1	252478740	AUEOOENMKLWCNV-DJKKODMXSA-N	362.361	3.023	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1	827318	XCNDYFXUSCSVOX-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
O=C1OC(=O)[C@@H]2[C@@H]1[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl	100004563	FLBJFXNAEMSXGL-AIYCZQSWSA-N	370.830	3.148	50	40	FGGB	
COc1ccc(CC(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1	1088078	GUAXJESJZDIVLL-UHFFFAOYSA-N	353.205	3.006	50	40	FGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NC(=O)C3CC3)c2C)cc1	3239054	ZYXGDSJWUNROLE-CIAFOILYSA-N	353.422	3.131	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C/c1cccc2ccccc12	59433993	JQNWFIQLHICLIX-LPYMAVHISA-N	361.401	3.246	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)cc(OCC)c1O	408852340	JSHWNOVXZYWICL-HYARGMPZSA-N	367.449	3.349	50	40	FGGB	
C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OCC)c(OC)c1	6355561	VYKLFVIMGCPODL-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
Cc1cc(C)c2sc(NNC(=O)c3ccc4c(c3)OCCO4)nc2c1	5025722	AQPXKOVOOIQGNV-UHFFFAOYSA-N	355.419	3.441	50	40	FGGB	
COc1cc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc(OC)c1OC	100564039	QPNNGZNZWRYWGV-DEDYPNTBSA-N	365.389	3.192	50	40	FGGB	
Cc1nc(CC(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cs1	33454728	PUIZEBCHVSQQSF-WKJDFIPYSA-N	354.479	3.408	50	40	FGGB	
CCOC(=O)c1ccc2nc(C)c3c(c2c1)O[C@H](CBr)C3	854037	INCUJUJOMJWUSM-NSHDSACASA-N	350.212	3.418	50	40	FGGB	
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	4521241	RFSVHANJROIWPM-RISCZKNCSA-N	352.387	3.440	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccc(F)cc1	4357551	AIJNMXJVYVVOQE-UDWIEESQSA-N	356.357	3.098	50	40	FGGB	
C/C(CCc1ccccc1)=N/NC(=O)C(=O)NCc1ccc(Cl)cc1	4482117	BBYHCMNIJQHQNI-HMAPJEAMSA-N	357.841	3.081	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21	5773187	NZZLWEFXQUMWFF-YYDJUVGSSA-N	369.424	3.296	50	40	FGGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C\c1ccc2c(c1)OCO2	34118458	YUYAVSPRCYZKLO-UCXQTQSWSA-N	355.221	3.457	50	40	FGGB	
O=C(N/N=C\c1c(F)cccc1Cl)C(=O)Nc1ccccc1Cl	408752859	KYVZPNVYRUSWQI-UWVJOHFNSA-N	354.168	3.221	50	40	FGGB	
C/C=C1/C[N@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	254478517	BDPFMCBRYUSSOJ-WKSFFAIESA-O	351.470	3.487	50	40	FGGB	biogenic
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1	3211549	ZEXYZWICBLYCQD-KGENOOAVSA-N	355.438	3.314	50	40	FGGB	
CC(C)(C)[Si](C)(C)OC[C@@H]1ON(Cc2ccccc2)[C@@H]2C(=O)OC[C@H]21	953105895	VBEBZLQDMDXHNZ-ULQDDVLXSA-N	363.530	3.366	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCC3CCCCC3)ccc21	3333460	QHVFCPVRACXEDO-UHFFFAOYSA-N	356.470	3.486	50	40	FGGB	
C=CCCCCCCCCC(=O)NN[C@@H]1CC(=O)N(c2ccccc2)C1=O	5094011	HAOBORFCOAKYNX-GOSISDBHSA-N	371.481	3.246	50	40	FGGB	
COc1ccc2oc(=O)c(/C(C)=N/NC(=O)c3ccc(C)cc3)cc2c1	4602246	AFKFKKNPWSGVPT-FYJGNVAPSA-N	350.374	3.264	50	40	FGGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc2c(c1)OCO2	4724400	BVZHWSQPFGVKPY-SRZZPIQSSA-N	354.406	3.242	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	408795793	NDDCQIHEYYGOTB-GYZOOYGHSA-N	364.401	3.023	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	4093965	QXLATHKDFQIMOI-NTUHNPAUSA-N	351.318	3.178	50	40	FGGB	
COC(=O)c1ccc(C(=O)NNc2nc3cc(C)cc(C)c3s2)cc1	4121463	PKOYMYGOQIKNMM-UHFFFAOYSA-N	355.419	3.457	50	40	FGGB	
O=C1C2=C(CCCC2)C(=O)N1c1cccc(OCCBr)c1	2086846	MNQHMISIOKYJTA-UHFFFAOYSA-N	350.212	3.204	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1cccc(OC(C)C)c1	216956853	ZJNFRFVYRILXQB-UHFFFAOYSA-N	351.406	3.029	50	40	FGGB	
CCOC(=O)[C@H](Br)C(=O)c1ccc(OC(F)(F)F)cc1	16158316	QEGXHSMWWKDYHD-SECBINFHSA-N	355.106	3.095	50	40	FGGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	7164953	XKTSWIXCBXZMKY-NBVRZTHBSA-N	374.396	3.421	50	40	FGGB	
C/C(=N\NC(=O)c1cccc(N/N=C(\C)c2ccncc2)c1)c1ccncc1	4863544	FELFCHBSXPIIOG-FEZYOMQXSA-N	372.432	3.467	50	40	FGGB	
Cc1n[nH]c2c1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2	709317	DKWWNBVEQMVVCO-SFHVURJKSA-N	372.384	3.156	50	40	FGGB	
CCC[C@H](Oc1ccc(OC)cc1)C(=O)N/N=C/c1ccc(N(C)C)cc1	2674464	IOKGTZHWXALPOU-QCBCRBAMSA-N	369.465	3.459	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1cccs1	9109856	WAIBRZJHGASWNZ-CYBMUJFWSA-N	369.471	3.459	50	40	FGGB	
Cc1cc(C(=O)N/N=C(\c2ccccc2)c2cccnc2)ccc1[N+](=O)[O-]	4143697	XXMKONXEJFGEKA-ZBJSNUHESA-N	360.373	3.481	50	40	FGGB	
O=C(NNC(=O)C1CCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1	6083562	PBUXLEHQVLAIRW-UHFFFAOYSA-N	374.444	3.491	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)c(OC)c1	408883932	WBKKYKFVSDLSSJ-RQZCQDPDSA-N	366.417	3.250	50	40	FGGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC	8846157	ZQFJALWNLDBCJZ-LJQANCHMSA-N	351.406	3.284	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c1	408764424	ILSIYBNTCAFXFA-SSDVNMTOSA-N	366.339	3.415	50	40	FGGB	
CCN(CC1CCN(C(=O)CCl)CC1)C(=O)OCc1ccccc1	79411971	GOMQDIHKMFTHCJ-UHFFFAOYSA-N	352.862	3.123	50	40	FGGB	
COc1cccc(/C=N\NC(=O)c2ccc3c(c2)OCC2(CC2)CO3)c1	225368981	VVLHYHYHGBVEKX-NHDPSOOVSA-N	352.390	3.011	50	40	FGGB	
C[C@H](Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1)C(=O)O	59247958	OKFAWHIVCOYOIU-GVIGZQTCSA-N	354.337	3.223	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)ccc21	3224824	XMAFLCTWIGVTGM-YBFXNURJSA-N	351.366	3.037	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)c1c(C)nc2ccc(Cl)cn12	2316247	UOTVXKCDQGEXQC-KEBDBYFISA-N	356.813	3.459	50	40	FGGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)NC[C@@H]1CCCO1	2674139	PXRDWUWDYHFBAL-YMFQVDJJSA-N	362.429	3.468	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OC)c([N+](=O)[O-])c2)cc1	862394	STMPGMRYRCYIFF-DEDYPNTBSA-N	371.393	3.085	50	40	FGGB	
O=C1O[C@H]2CC[C@@H](Br)C[C@@H]2C=C1C1CCC([N+](=O)[O-])CC1	5328161	KQVPHROCNMQHTB-IADSSAPXSA-N	358.232	3.237	50	40	FGGB	
Cc1ccc(-c2nc3ccccc3nc2NNC(=O)CCCC(=O)O)cc1	3232049	WEJOGWPRAVJGPU-UHFFFAOYSA-N	364.405	3.303	50	40	FGGB	
CC(C)CC[C@H](C(=O)O)[C@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2345276	MNQBCAUWPBJBOY-OLZOCXBDSA-N	368.861	3.264	50	40	FGGB	
CCOC(=O)NNC(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12	46765130	GBFMJVHNYPBKPW-UHFFFAOYSA-N	360.414	3.080	50	40	FGGB	
O=C(CCCc1cccs1)NNC(=O)c1ccccc1-n1cccc1	6510439	CBNMFRNRHNPQLF-UHFFFAOYSA-N	353.447	3.323	50	40	FGGB	
Cc1cc(SC#N)cc(C)c1NC(=O)COC(=O)c1ccccc1O	5785040	XJIDTHXNDSQSIP-UHFFFAOYSA-N	356.403	3.378	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1cc(Br)c(O)cc1O	36490170	IHVAGGMSWGNIES-CDRZCLTDSA-N	367.243	3.137	50	40	FGGB	
Cc1ccc(N2C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)cc1	4599663	KMYJYRIYKMRULU-UGVMZYNRSA-N	355.825	3.152	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OC)c1OC	2708454	MQKWIJFMVBHGOA-MDWZMJQESA-N	356.353	3.397	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1OC	836091	NQFWGLYQGARXHE-CAOOACKPSA-N	367.199	3.132	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)c2ccccc2O)cc1Br	7950689	XEKOMYWGGCBPOW-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
Cc1ccc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-]	55075583	NSMYIDIFSTYDET-UHFFFAOYSA-N	366.421	3.285	50	40	FGGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)C(=O)O	59302152	TXLUEXQKCSQSBP-CYGNYLSHSA-N	362.385	3.456	50	40	FGGB	
Cc1ccc(OCc2nc(C(=O)NNC(=O)OC(C)(C)C)cs2)cc1	8877250	CSNXOUOKEVOPGB-UHFFFAOYSA-N	363.439	3.200	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccccc1	408527153	FDWKPKYHGAZZQN-HZHRSRAPSA-N	358.397	3.381	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(C)cc1	409106352	RLPJCHREVSAVBI-HYARGMPZSA-N	367.449	3.376	50	40	FGGB	
O=C(N/N=C\c1cc(Br)ccc1O)c1c[nH]c2ccccc12	85959299	ONOGRNQSIFOMOP-UWVJOHFNSA-N	358.195	3.400	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc([N+](=O)[O-])c1O	16688272	NMAZZTJNRXQULK-KPKJPENVSA-N	371.324	3.384	50	40	FGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2N)o1	6320024	NKNYOTKDENLMKZ-WSDLNYQXSA-N	363.373	3.079	50	40	FGGB	
COC(=O)c1ccc(COc2ccc(/C=C/C(C)=N\NC(N)=O)cc2)cc1	4955294	ZUGCMWAJWNJDAP-RWUOWIBZSA-N	367.405	3.110	50	40	FGGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C	28216684	NEGLBNMJGRKVBO-LPYMAVHISA-N	369.465	3.314	50	40	FGGB	
CC(=O)Nc1ccc(/C(C)=N\NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	17073279	PUSUQTAFBNABOG-NDENLUEZSA-N	354.366	3.016	50	40	FGGB	
COc1cc(C(=O)NNC(=O)c2occc2C)ccc1OCCC(C)C	21968742	RVFNWJAGYUUPPZ-UHFFFAOYSA-N	360.410	3.096	50	40	FGGB	
O=C(CN1CCCCC1)N/N=C/c1cc2cc(Cl)ccc2nc1Cl	408728756	SXJBEPSJBUFSKM-KEBDBYFISA-N	365.264	3.478	50	40	FGGB	
CCc1ccc(N2C[C@H](C(=O)N/N=C\c3sccc3C)CC2=O)cc1	38159761	PURZZNDYDVSQGG-UWOKGBPVSA-N	355.463	3.122	50	40	FGGB	
CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	14162556	VLYQUUGYLZAARL-QGZVFWFLSA-N	360.369	3.410	50	40	FGGB	
CC[C@@H](C)C(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	22412614	AEIHSSRPVTUKLI-GFCCVEGCSA-N	372.494	3.193	50	40	FGGB	
COc1ccccc1NS(=O)(=O)c1ccc2nc(CCl)[nH]c2c1	3278134	ZEFBUCARPDEMJD-UHFFFAOYSA-N	351.815	3.111	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)O)cc1	2333190	QZOTZRCUWAEPCK-WOJGMQOQSA-N	364.401	3.395	50	40	FGGB	
CCn1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1ccccc1Br	2343075	XLUUMOYBLUIYQK-AWEZNQCLSA-N	359.227	3.192	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)cc1C	4699380	GYQQJGUJBMUIAO-MHWRWJLKSA-N	360.417	3.040	50	40	FGGB	
COc1cc(Cl)c([C@@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OC	409149112	XPISRLZYYLWFSH-QGZVFWFLSA-N	373.840	3.087	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(CCCl)cc1	4147851	DMANGDUVSVQYAH-UHFFFAOYSA-N	354.815	3.485	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2cc(OC)c(OC)cc2Cl)cc1	66202166	XJAQGFPSJZPZDZ-RGVLZGJSSA-N	362.813	3.059	50	40	FGGB	
COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	33301375	WGZAYNKLFXOGQP-KQWNVCNZSA-N	360.413	3.081	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cccc(Br)c2)cc1	1424924	TYPQEIAYPCVDOT-VCHYOVAHSA-N	360.211	3.171	50	40	FGGB	
C/C(=N\NC(=O)COc1cccc(Br)c1)c1cccs1	5005115	WEIACEDKMYHGDX-MHWRWJLKSA-N	353.241	3.430	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(C)NC(C)=C2C(=O)OC(C)C)c(OC)c1	23486211	MVVZIYSLTXQQMU-LJQANCHMSA-N	356.422	3.414	50	40	FGGB	
COc1ccc2cc(CNC(=O)NNc3cncc(Cl)n3)ccc2c1	31042386	JULUJSKTBWCKQO-UHFFFAOYSA-N	357.801	3.118	50	40	FGGB	
Cc1ccc(C(=O)N/N=C2\C(=O)Nc3ccc(C)c(Br)c32)cc1	18115430	FFKWERSWQDAAIX-UHFFFAOYSA-N	372.222	3.152	50	40	FGGB	
Cc1ccc(C(=O)N/N=C2/C(=O)N(Cc3ccccc3)c3ccccc32)cn1	18106797	HUALBCPJQFTYHJ-HIXSDJFHSA-N	370.412	3.071	50	40	FGGB	
CC(C)OC(=O)COc1ccc(/C=N\NC(=O)Nc2ccc(F)cc2)cc1	409187225	NPRVMCZWKYYDET-NHDPSOOVSA-N	373.384	3.312	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CNc2ccc(Br)cc2)c1	1500997	MMDSETIVXGYILF-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
C/C(=N/NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1	4953935	CYDXRXKKWHLUCK-JAIQZWGSSA-N	367.340	3.278	50	40	FGGB	
Cc1ccc(Cl)cc1NC(=O)C(=O)N/N=C/c1ccccc1Cl	3168963	JRXODOSLYSZBKL-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	408797003	QPHIPWWNBDUZJA-SFQUDFHCSA-N	364.401	3.483	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(OCC(C)C)cc2)c1	34895164	ZTROENFBWHEVPO-MTJSOVHGSA-N	353.422	3.444	50	40	FGGB	
N#Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1	2654757	KHXRVPQPROANSU-FSJBWODESA-N	363.348	3.486	50	40	FGGB	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cc2cccc(C)c2nc1Cl	1223574	OSOQKFJHSSUMST-HNNXBMFYSA-N	369.808	3.451	50	40	FGGB	
O=C(NN=C1CCCC1)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444752	GMFFNFZZXAHRJX-UHFFFAOYSA-N	351.406	3.250	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1	408745091	JRYAZRXUNLOPCH-SDQBBNPISA-N	368.305	3.063	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cccc(C(=O)O)c1	408783457	LNQOZTMDMGIINJ-MFOYZWKCSA-N	351.406	3.224	50	40	FGGB	
CC(C)(C)[Si](Oc1ccc(CN)nc1)(c1ccccc1)c1ccccc1	2362803103	FQADKYZULMXAHJ-UHFFFAOYSA-N	362.549	3.479	50	40	FGGB	
CCc1sc(/C=N/NC(=O)Cc2cccnc2)cc1Br	1085546	CCGWCCHVXWCRJJ-RQZCQDPDSA-N	352.257	3.161	50	40	FGGB	
CCc1c(OC)ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)c1OC	831157	RGRSPOCMTXVQND-DBRLUCFCSA-N	356.422	3.104	50	40	FGGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)c([N+](=O)[O-])c1	16438094	LCSKZYROVSOYPX-JLHYYAGUSA-N	367.361	3.393	50	40	FGGB	
N/C(CCl)=N\S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	2577704	YYABOKCHUABDAS-UHFFFAOYSA-N	368.686	3.009	50	40	FGGB	
CC(C)(C)/C=N/NC(=O)Cn1c(Br)nc(Cl)c1Cl	2555864	OXGRICBCIGYSFJ-LHHJGKSTSA-N	356.051	3.101	50	40	FGGB	
Cc1oc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br	1433627	UMIZMIFVZKWWPG-VIZOYTHASA-N	352.144	3.023	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)CSc2nc3ccccc3o2)c1	868236	RGHPWSVWWUXDLR-VXLYETTFSA-N	371.418	3.087	50	40	FGGB	
CC(=O)NNC(=O)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	1261064	OGTBWBHJINZFEA-UHFFFAOYSA-N	372.222	3.378	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2NC(=O)c2ccccc2)cc1	25241002	OBDUPKPGPUJDSZ-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
Cc1c(C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2F)oc2ccccc12	9155113	FYWRHGHQJZEMBD-GJZGRUSLSA-N	352.365	3.445	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)CSc2cc(C)c3ccccc3n2)c(C)o1	5226365	MKUUPWIUKXBAGQ-UHFFFAOYSA-N	369.446	3.306	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	4822721	DJHJACQNKBDFDB-MRXNPFEDSA-N	369.377	3.054	50	40	FGGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Br)c1)C(N)=O	42912907	AKKWGKNZYMUSLZ-RIYZIHGNSA-N	357.207	3.420	50	40	FGGB	
N#CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21	6616425	RRDRPEPHYUQYAU-GDNBJRDFSA-N	370.368	3.409	50	40	FGGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCO2	1021372	PTUZLHRSOXJFQQ-UFWORHAWSA-N	362.838	3.452	50	40	FGGB	
CN(C(=O)CCC(=O)C(C#N)=C1N(C)c2ccccc2N1C)c1ccccc1	12608137	NMGCMNBVPVOFIU-UHFFFAOYSA-N	374.444	3.320	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1cccc(C(F)(F)F)c1	59921083	LAFOWUGGHZUYCZ-UFWORHAWSA-N	353.256	3.083	50	40	FGGB	
COc1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2Cl)cc1OC	3348606	GYMDEVHCTXTSIZ-UHFFFAOYSA-N	369.204	3.085	50	40	FGGB	
COc1ccc(NC(=O)CCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1	2369183	JKJJKDCNZQMYKY-LPYMAVHISA-N	364.405	3.046	50	40	FGGB	
C#CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Cl	409135480	RJZZBEGZBMZRLF-SFHVURJKSA-N	352.777	3.276	50	40	FGGB	
C/C(=N\NC(=O)Cn1c(-c2ccccn2)nc2ccccc21)c1ccco1	4786374	HJCXLBKTYOHPAQ-OEAKJJBVSA-N	359.389	3.232	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(=O)Nc2ccc(C)cc2)cc1	4405654	WQWFSBOSUSVJDG-OEAKJJBVSA-N	366.421	3.088	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)ccc1OCC#N	7890006	WECMDJUCAVSINS-HZHRSRAPSA-N	374.400	3.152	50	40	FGGB	
COc1cc(Cl)cc(/C=N/NC(=O)COc2c(C)cccc2C)c1O	2359540	ZMXGDWUNJULHIS-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc([N+](=O)[O-])c(Cl)c1	2751710	KOCBNCPHBQLWMK-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)ccc1O	903668	BUQFOPJGDBCLBF-DJKKODMXSA-N	364.854	3.438	50	40	FGGB	
COc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC	1022146	YTVMCJZKPMHGQU-DNVCBOLYSA-N	360.417	3.297	50	40	FGGB	
O=C(NNc1nc2cc3c(cc2s1)OCO3)c1nc2ccccc2s1	4121507	DJIGWTHGGCUFFS-UHFFFAOYSA-N	370.415	3.392	50	40	FGGB	
C/C(CC(=O)N(C)c1ccccc1)=N\NC(=O)c1cc(Cl)ccc1O	14922105	WZUUOGREXUVUGB-UDWIEESQSA-N	359.813	3.204	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)c(OC)c1	8183359	SSQHKENRHFIEKE-KEBDBYFISA-N	362.813	3.195	50	40	FGGB	
COc1cccc([C@@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C#N)c1OC	2206277	UDIAOPAIOMCUSC-SFHVURJKSA-N	359.385	3.446	50	40	FGGB	
C[C@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CI	108380230	RRHSBISFIQTULS-WPYKOPORSA-N	357.029	3.190	50	40	FGGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)CC(=O)N2)c1	9110613	HAZOLIJBAYOCMM-CQSZACIVSA-N	367.430	3.299	50	40	FGGB	
COc1cc(C=C(C#N)C#N)ccc1OCCOc1ccc([N+](=O)[O-])cc1	4182038	OAZGXVIQLPRPOJ-UHFFFAOYSA-N	365.345	3.492	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1[N+](=O)[O-]	409231238	ISKNMKWGXOOVFL-ATVHPVEESA-N	365.389	3.259	50	40	FGGB	
ClC[C@@H]1CO[C@H]([C@@H]2CC[C@H](Br)[C@@H](Br)C2)O1	254876433	XVHYWNFCTTTZAH-ZJDVBMNYSA-N	362.489	3.294	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)c(O)c2ncccc12)c1ccc([N+](=O)[O-])cc1	59459122	OKEFWEHSIZSFSU-AWQFTUOYSA-N	370.752	3.266	50	40	FGGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)C(=O)N1CCCCC1	1408579	YZPZVVNQHKYJNF-WUXMJOGZSA-N	363.211	3.097	50	40	FGGB	
O=C(CCNC(=O)c1ccccc1Cl)N/N=C/c1c[nH]c2ccccc12	2675820	CYNSPBUYWPNOPN-FSJBWODESA-N	368.824	3.092	50	40	FGGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C1/C(=O)N(C)c2ccccc21	409346746	LFDUTMJEYDGSGR-NABPABCNSA-N	373.865	3.318	50	40	FGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	408526465	CCXDOVBCRAMAFG-CIAFOILYSA-N	364.357	3.174	50	40	FGGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1OC	409231996	GQEYQVZGOVQTLX-HKWRFOASSA-N	374.440	3.363	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OC(C)=O	408759026	WRFGZKNLQMDWNK-RGVLZGJSSA-N	360.797	3.428	50	40	FGGB	
CCn1c(SCC(=O)N/N=C(\C)c2cccnc2)nc2ccccc21	4951487	QARKDZLVJJKYSH-FYJGNVAPSA-N	353.451	3.084	50	40	FGGB	
O=C(CCl)NC1=CC(=C2C(=O)c3ccccc3C2=O)Nc2ccccc21	9482555	JNKXJJJQRMIPCD-UHFFFAOYSA-N	364.788	3.141	50	40	FGGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C\c1ccccc1	59515854	WOYPLYMQFJALKZ-NVMNQCDNSA-N	357.211	3.169	50	40	FGGB	
COc1cccc(-c2[nH]nc3c2[C@H](c2ccccc2F)C(C#N)=C(N)O3)c1	5156750	XMNYPJHUCKUDFE-MRXNPFEDSA-N	362.364	3.443	50	40	FGGB	
COc1cc(Cl)cc(/C=N\NC(=O)COc2cc(C)ccc2C)c1O	4614410	KMARKQCAKYHYTO-UKWGHVSLSA-N	362.813	3.200	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(OC)c1O	409223891	GMHOMLPVRJPEEQ-BOPFTXTBSA-N	366.417	3.065	50	40	FGGB	
O=C(N/N=C/c1cccnc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1	20933828	UBKSQNFKDIUBDA-HZHRSRAPSA-N	368.400	3.093	50	40	FGGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)NCc2ccccc2)C1	12403989	YWJNCZOBIFGNRW-KYLWWAFNSA-N	353.466	3.488	50	40	FGGB	
O=C(CCl)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1	9062109	OKDYWQVBVHRWEC-UHFFFAOYSA-N	356.769	3.166	50	40	FGGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(C)c1O	106110883	OJTWFWFAMHJFDP-BUVRLJJBSA-N	374.440	3.395	50	40	FGGB	
O=P(C[P@](=O)(O)c1ccccc1O)(c1ccccc1)c1ccccc1	2302956	ZZCWFBRBUVYPST-UHFFFAOYSA-N	372.297	3.260	50	40	FGGB	
COC1(OC)OC(c2ccccc2)=C(C#N)[C@H](c2ccco2)C1(OC)OC	4568241	MHTPWNLNFUXRSP-QGZVFWFLSA-N	371.389	3.264	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-]	67192579	WQSJFPGQXXVULK-FRKPEAEDSA-N	353.787	3.147	50	40	FGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1O	4005092	JTFJZVAGCAHSDN-QGZVFWFLSA-N	374.400	3.399	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC1CCCCC1	409381914	OWSSUEOMPNGXCV-BUVRLJJBSA-N	363.461	3.224	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1N1CCOCC1	409188911	KJDBLXPABIOYSK-FYJGNVAPSA-N	357.841	3.249	50	40	FGGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1	32799115	PYHSTZIQYKPMQG-IWTIEGKHSA-N	365.345	3.108	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)cc1	96398769	LTCRSCOHWDITKS-HEFZEJLVSA-N	370.449	3.086	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)ccc1OC(C)C	6200653	DJKUEJUPCZJCDR-CIAFOILYSA-N	369.421	3.205	50	40	FGGB	
CCN1CCN(C(=O)/C(C#N)=C/c2cc(C)n(C3CCCC3)c2C)CC1	25357972	FOSWEZIWYLUCEU-XMHGGMMESA-N	354.498	3.291	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1	408745481	MQRANAUACGSINN-LJQBUTKESA-N	374.400	3.123	50	40	FGGB	
CC(C)NC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	28215423	HPNRWAYBRAHIGV-SRZZPIQSSA-N	373.840	3.007	50	40	FGGB	
COc1cc(/C=N\NC(=O)Nc2ccc(C)cc2)ccc1O[C@H](C)C(=O)O	409018648	HYBIQNJRBMAKAY-RBFBNPFJSA-N	371.393	3.011	50	40	FGGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1O	409085880	SYEHVHMIAMITSJ-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
CC(C)N(C(=O)OCc1ccccc1)[C@H]1CCCN(C(=O)CCl)C1	79412022	LMTOKVYGVYLJAT-INIZCTEOSA-N	352.862	3.263	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccc(Cl)s3)[C@H]2C1	36046625	CLOGVZUTBLRIDT-XJKSGUPXSA-N	369.881	3.147	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)cc1	13343039	VPYJIXZMYRBPLL-RVDMUPIBSA-N	366.373	3.094	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccs2)cc(Br)c1OC	5512407	HXBXLMZTNGWTHB-LZYBPNLTSA-N	369.240	3.292	50	40	FGGB	
CCOC(=O)C1=C(CCl)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1	6497394	HJPUVMPHUBOLBO-HNNXBMFYSA-N	350.846	3.394	50	40	FGGB	
CCOC(=O)[C@H](c1ccc(Cl)cc1)[C@@H](Br)C(=O)OCC	8228335	VMPYETDOBTXFSF-VXGBXAGGSA-N	363.635	3.313	50	40	FGGB	
COc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c1OC	6804500	ATEHWRDMUPSSPY-MRXNPFEDSA-N	374.400	3.312	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1	19799954	ANGLRHIRZLISSC-QPSGOUHRSA-N	360.229	3.368	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(N3CCCCCC3)o2)c1	108026806	BTXXUEOSLWQPOJ-KGENOOAVSA-N	371.437	3.441	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)C(=O)N(C)C)c1C	59333759	OPLFOZYOSGJHMM-YBEGLDIGSA-N	352.394	3.306	50	40	FGGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2ccc(Br)o2)c1C	12844014	KRLHFEAGURJHTL-QGMBQPNBSA-N	365.227	3.496	50	40	FGGB	
N#CC(C(=O)COC(=O)c1cc2c(s1)CCC2)=C1Nc2ccccc2N1	5308854	FXYMKURJZWEMNI-UHFFFAOYSA-N	365.414	3.235	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C(\CCC(=O)O)c1ccccc1	5535395	TZFTWOAAOPWHSK-LTGZKZEYSA-N	374.824	3.413	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)ccc1OC	409320526	QHHVLCVQJZNJLU-BKUYFWCQSA-N	372.421	3.265	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1C(=O)O	408923787	JXWLWLWUJKUCRP-MDWZMJQESA-N	351.318	3.147	50	40	FGGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1csc2ccccc12	2765977	CIAYWKJGJXYVRM-CNHKJKLMSA-N	369.358	3.302	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@@H](c2cc(OC)ccc2OC)C(C#N)=C(N)O1	706755	YXRNQWSXAMRNAZ-KRWDZBQOSA-N	372.421	3.129	50	40	FGGB	
O=C(COc1ccc(F)cc1)NNC(=O)Nc1cccc(C(F)(F)F)c1	2582175	VTVXHEZJZLXZNZ-UHFFFAOYSA-N	371.290	3.076	50	40	FGGB	
CCCCOc1ccc(/C=N/NC(=O)Cc2cccn2C)cc1OCC	2759705	YSILYPPPUXJLRN-RCCKNPSSSA-N	357.454	3.296	50	40	FGGB	
N#C/C(=C/c1ccsc1)c1nnc(N2CCOCC2)n1-c1ccccc1	96021604	BXCOFYZIFXSYCE-VBKFSLOCSA-N	363.446	3.230	50	40	FGGB	
CNC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1	408803731	STZZKTZGQFKMDU-NTEUORMPSA-N	369.808	3.010	50	40	FGGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OCC=C)c(OC)c2)cc1	409310621	BOSVMCMIHURPMG-JCMHNJIXSA-N	364.401	3.036	50	40	FGGB	
Cc1cc(C)[n+]2c(c1C#N)S[C@@H]1CCC[C@H](I)[C@H]12	257173464	OFJPIICYBRJOKX-YNEHKIRRSA-N	371.267	3.466	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)OC)cc2)cc1	5907195	ZICKMSVYSKUEOV-VBKFSLOCSA-N	350.374	3.418	50	40	FGGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)N3CCOCC3)cc21	208456452	CWVNGQLTKQJNJG-WQRHYEAKSA-N	365.477	3.393	50	40	FGGB	
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc([N+](=O)[O-])cc1	4521243	RFSVHANJROIWPM-SMDDNHRTSA-N	352.387	3.440	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)NCCCn1ccnc1	26966465	LWDOQAOSXFNYSI-FOWTUZBSSA-N	364.380	3.396	50	40	FGGB	
CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)CBr	35604996	DQGJTIVIDHRNGD-UHFFFAOYSA-N	361.239	3.292	50	40	FGGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1CC=C	59334841	NOFOOMPFPRXCDW-GDNBJRDFSA-N	373.250	3.185	50	40	FGGB	
CCCCC(=O)N/N=C(\C)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	101517792	GSCLLJJYQQZBDQ-QVEFSTLPSA-N	369.465	3.397	50	40	FGGB	
Cc1cc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)[nH]n1	4870694	SPQXPYXGMNMEAG-QGMBQPNBSA-N	373.756	3.304	50	40	FGGB	
Cc1cc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)n1C	408779949	OMECRBRIPKPYGD-HZHRSRAPSA-N	361.445	3.028	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl	408599351	SWPSWKPMTYZWQH-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2OC)c(OCC)c1	33654696	KQZAFOINUVKARK-FYJGNVAPSA-N	372.421	3.265	50	40	FGGB	
CC[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(O)c(OC)c1	1001433	ULMQQYKIULVVRK-PZUDMAOCSA-N	361.829	3.395	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(OC)cc2)cc(Cl)c1O	6537280	MRSQZPSYFOZIIF-RGVLZGJSSA-N	362.813	3.146	50	40	FGGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C1\C(=O)Nc2ccccc21	3202392	LBIJFFNONBUIBZ-UHFFFAOYSA-N	371.396	3.205	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1O	3573107	XNNGGOZPFICQNE-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc(C(=O)O)cc1	408997131	RLOGKWRGSSYABD-RGVLZGJSSA-N	351.362	3.149	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2cccc(OC3CSC3)c2)cccc1[N+](=O)[O-]	408864515	WRGLYPPHXJNONN-DJKKODMXSA-N	371.418	3.161	50	40	FGGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)C(=O)N1CCCCCC1	4525856	GOOMVVBFUMCLBQ-PXLXIMEGSA-N	367.449	3.091	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OCC)c2)cc1OC	409317093	NYELMUNGPSXEEH-BKUYFWCQSA-N	372.421	3.265	50	40	FGGB	
CCOC(=O)c1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(F)cc32)cc1	38654547	PSNGNBWGHDSRLZ-UHFFFAOYSA-N	372.377	3.293	50	40	FGGB	
O=C(N[C@@H](C(=O)N/N=C/c1ccccc1)c1ccccc1)c1ccccc1	3112273	HZZNBCHUDXPGEV-OGTCDWKQSA-N	357.413	3.308	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)c(Cl)c1	5670534	ZNNCLOUYKGRLFC-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
CCc1ccc(/C=N/NC(=O)c2cc(Br)ccc2OC)o1	8812803	ZUZPQUVMGGKMRS-RQZCQDPDSA-N	351.200	3.377	50	40	FGGB	
CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccc(C)c(C)c1	3671403	OHDSRKAJWVZIRT-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(Br)o2)c1C	9195888	QXRGAJDPYQTTAO-IUXPMGMMSA-N	351.200	3.188	50	40	FGGB	
C[C@H](Cl)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	23001920	BOSMRCOCJAOGCO-QMMMGPOBSA-N	356.175	3.030	50	40	FGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccs4)c32)ccc1O	8566305	SFGPLIRUVOUWGF-AWEZNQCLSA-N	366.402	3.071	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2ccc(N3CCCC3)c(C)c2)c1	33688533	FTHQFKZWRITKSL-HMAPJEAMSA-N	367.449	3.376	50	40	FGGB	
COc1cc2c(cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1)OCO2	409247430	HFZMGLMSLVGEAU-KHAFMBKQSA-N	350.374	3.208	50	40	FGGB	
Cc1nn(C)c(F)c1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1	252478950	AXXSTLYAJUYEIU-WSDLNYQXSA-N	366.396	3.064	50	40	FGGB	
CCCCN1C(=O)/C(=N/NC(=O)COc2ccccc2C)c2ccccc21	15922186	IDJXNYVUVLDWJJ-BSYVCWPDSA-N	365.433	3.041	50	40	FGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(F)cc1	1023583	WOTOELVHGFUPCQ-SECBINFHSA-N	371.195	3.361	50	40	FGGB	
CCn1cc(/C=N/NC(=O)c2ccc(OC)cc2OC)c2ccccc21	6713901	JZWMCAIRLALNGM-CIAFOILYSA-N	351.406	3.442	50	40	FGGB	
C/C(=N\NC(=O)[C@H]1CCCO1)c1ccc(-c2ccccc2[N+](=O)[O-])s1	43970310	UVVKROWMODIION-XWAFYUISSA-N	359.407	3.343	50	40	FGGB	
O=C(CCl)N[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1	100177881	QSSIHJGBROADTD-IYBDPMFKSA-N	364.873	3.454	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCCC(C)C	2306471	GZDNHUXWCZPKKW-RLGUWMIQSA-N	372.465	3.322	50	40	FGGB	
CC(=O)Nc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccccc1C	4523525	BYXLYUKVSBBARM-OEAKJJBVSA-N	366.421	3.088	50	40	FGGB	
COc1cccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1OC	409246363	HGTFLIHWJIQPJP-JXAWBTAJSA-N	350.418	3.360	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2ccccc2)cc1Br	408862643	HFYXDBZQKFRDIL-XDHOZWIPSA-N	360.255	3.208	50	40	FGGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(O)c([N+](=O)[O-])c1	408904580	LRPRXNNKSJCAMX-XGICHPGQSA-N	359.345	3.309	50	40	FGGB	
CCOc1ccc(-n2c(=O)c3ccccc3n3c(CCl)nnc23)cc1	15424631	SOGQHHWYKSVKHE-UHFFFAOYSA-N	354.797	3.171	50	40	FGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(C(C)(C)C)c32)ccc1OC	1065976	QJZKEZKRMPXVTJ-OAHLLOKOSA-N	368.437	3.333	50	40	FGGB	
O=C(CCSc1ccc(F)cc1)NNC(=O)Cc1c[nH]c2ccccc12	12679813	LXBIXCNDZJRYIW-UHFFFAOYSA-N	371.437	3.179	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccccc1F	59333743	WSPUFZDKXXMIGO-YBEGLDIGSA-N	354.381	3.408	50	40	FGGB	
COC(=O)N/N=C/c1cn(CCOc2ccccc2OC)c2ccccc12	2262495	YHTFEYXURDBUBY-FYJGNVAPSA-N	367.405	3.419	50	40	FGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CNc2ccccc2)o1	2330573	YKWUOTIKHLYDOD-SSDVNMTOSA-N	363.373	3.384	50	40	FGGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(O)c(Br)c1	408753212	FGWASAJJTGELRK-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
CCOC(=O)[C@@H](/C(C)=N/NC(=O)c1ccc(Br)cc1)C(C)C	4066484	KHTZSURMPYZJQH-XWAFYUISSA-N	369.259	3.390	50	40	FGGB	
CCOc1ccc(/C(C)=N\NC(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	408568946	XPGWQYLADPNNJP-WQRHYEAKSA-N	372.337	3.056	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)ccc1O	408967062	RYWIILUUSGOGFR-VXLYETTFSA-N	369.333	3.209	50	40	FGGB	
[C-]#[N+][C@@H](c1cc(OC)c(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1	95686567	WNPVZANXRCPJPW-GOSISDBHSA-N	361.419	3.413	50	40	FGGB	
CCn1cnnc1S[C@H](C)C(=O)/C(C#N)=C1/Nc2ccccc2S1	105268228	KCAKNVNLPLOPJW-BXSDCGNMSA-N	357.464	3.301	50	40	FGGB	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1cccnc1	3335230	MHZUCJQWIYNCLZ-LSHDLFTRSA-N	371.803	3.191	50	40	FGGB	
C=CCSC1=C(C#N)[C@@H](c2ccccc2C)[C@H](C(=O)OCC)C(=O)N1	9320594	UKHWWKOJUJGIHR-CVEARBPZSA-N	356.447	3.042	50	40	FGGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc3ccccc23)[C@@H](C(=O)O)C1	4651614	ZLPFULBYYWFGQN-KGLIPLIRSA-N	372.446	3.110	50	40	FGGB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=C(/C#N)C(N)=O)cc1	9553501	PEPAVPLWKRVMPD-GDNBJRDFSA-N	356.809	3.499	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccncc1	409035222	JGPZFLFKXYAAQI-KEBDBYFISA-N	354.297	3.153	50	40	FGGB	
O=C(c1ccccc1)N1C[C@H]2C[C@@H](Br)[C@H]1[C@@H]2Br	100057970	DKFDXPLRTDNFPL-KKOKHZNYSA-N	359.061	3.058	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1OC	13619041	XDTBYJBLSUURJV-BKUYFWCQSA-N	364.405	3.248	50	40	FGGB	
N#CC(C#N)=Cc1cc(Br)cc(I)c1O	1410800	JVTCMOVGBOWPEQ-UHFFFAOYSA-N	374.963	3.190	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)c1C	4699379	WBPWANRABWHCGM-MHWRWJLKSA-N	360.417	3.040	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)c2cccc(-n3cccc3)c2)cc1	408585876	KIRGBSQXSGTWQZ-UHFFFAOYSA-N	366.446	3.117	50	40	FGGB	
Cc1cc(N2CCOCC2)ccc1/C=N\NC(=O)c1cc2ccccc2o1	409065695	IWOVCPABTYFAFL-HMAPJEAMSA-N	363.417	3.342	50	40	FGGB	
O=C(CCl)N(C[C@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1	79392767	YTKSAINAIXJRJJ-QGZVFWFLSA-N	364.873	3.408	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)OC(C)(C)C)cc(Br)c1O	39978167	OYRFZBHQJFKRJQ-PXNMLYILSA-N	359.220	3.412	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)c(OC)c1OC	83314371	LYPOKAOIKXSJLV-JAIQZWGSSA-N	354.362	3.223	50	40	FGGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)O	51105265	WLYAIFLCRFCZMD-NTEUORMPSA-N	363.373	3.489	50	40	FGGB	
COc1cc2c(cc1/C=C1/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c31)OCO2	100313151	LTTDGGZJXXESBY-PQMHYQBVSA-N	372.384	3.432	50	40	FGGB	
CC[C@H](Nc1ccc(C)cc1C)C(=O)N/N=C/c1cccc(OC)c1O	695739	JTFSCBWSMONXCP-GKXUUXLPSA-N	355.438	3.358	50	40	FGGB	
O=C(COc1ccccc1Cc1ccccc1)NNC(=O)c1ccccc1	2620331	GQJMHQPGUVCALN-UHFFFAOYSA-N	360.413	3.117	50	40	FGGB	
Cc1nc2ccc(Br)cn2c1C(=O)N/N=C/c1cccs1	408822234	IZGOAHYCPSOQKZ-FRKPEAEDSA-N	363.240	3.231	50	40	FGGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(-n2ccnc2)cc1	6312343	UWBYNRTUYNPJLW-HZHRSRAPSA-N	370.416	3.416	50	40	FGGB	
C/C(=N/NC(=O)c1cccs1)c1ccc(NC(=O)C(F)(F)F)cc1	5381343	MZLBHSAHLRIDJO-UKWGHVSLSA-N	355.341	3.403	50	40	FGGB	
Cc1cc(Nc2ccc(C(=O)NN)cc2)nc(-c2cccc(Cl)c2)n1	223466043	ANNCUCXKDXCLHI-UHFFFAOYSA-N	353.813	3.453	50	40	FGGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	5221745	YTUYUQYIIOUDBX-UDWIEESQSA-N	360.797	3.030	50	40	FGGB	
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1cccc(O)c1)C(C#N)=C(N)O2	5724627	WIRQOTTXWXTFML-IBGZPJMESA-N	358.401	3.164	50	40	FGGB	
CCCCCCOc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1	5792366	QRXAFKYBDJBGIO-UHFFFAOYSA-N	356.422	3.426	50	40	FGGB	
COC(=O)c1cccc2[nH]cc(/C=C(\C#N)C(=O)Nc3cccc(O)c3)c12	61719405	FPNHYOBADHQARK-XYOKQWHBSA-N	361.357	3.206	50	40	FGGB	
CCCN(CCC)C(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	6323797	BNJQGVDNLVCESK-INIZCTEOSA-N	371.506	3.407	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(C(C)C)cc1	59435526	MUATXVONRSPIAB-FYJGNVAPSA-N	353.422	3.298	50	40	FGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccncc1	3226089	NSCLEMMZLREDHH-UFFVCSGVSA-N	357.776	3.132	50	40	FGGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(N)=O	59133371	HRFMEMZLNOXLBZ-NTEUORMPSA-N	357.207	3.420	50	40	FGGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1)c1ccccc1	58984115	NDFHBPHXWMXNRA-VUODPORTSA-N	364.401	3.324	50	40	FGGB	
N#CCOc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1	2797491	YDPZWOJWTYHUCY-YBFXNURJSA-N	358.195	3.115	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)Nc1cc(C)ccc1C)c1ccc(O)cc1	4592386	TUIBVZZKMHRUDR-PXLXIMEGSA-N	353.422	3.268	50	40	FGGB	
CCOc1cc(C(=O)NNC(=O)C2CCCCC2)ccc1OC(F)F	6930363	DZKKIUIKDRUSSR-UHFFFAOYSA-N	356.369	3.028	50	40	FGGB	
C#CCOc1ccc(Cl)cc1[C@@H]1C(C#N)=C(N)Oc2cc(O)ccc21	409137195	UNGHQJJNCXIPKS-GOSISDBHSA-N	352.777	3.276	50	40	FGGB	
Cc1cccc(N2C[C@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1C	7929025	OVVURTMBVRYDBM-CQSZACIVSA-N	354.362	3.170	50	40	FGGB	
COC(=O)N1[C@]23CCCC[C@@]12C[C@@H](Br)[C@@H](Br)C3	100969119	ZYSHFWMDSDURTO-KDYRIUTDSA-N	367.081	3.441	50	40	FGGB	
CCCCCN1C(=O)/C(=N\NC(=O)COc2ccccc2)c2ccccc21	102434357	AVASLGXELKKZFP-ATJXCDBQSA-N	365.433	3.123	50	40	FGGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)C(=O)N1CCCC1	409369771	WKKFLPSWPLRUJK-RVDMUPIBSA-N	364.361	3.311	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(OC)c1	408883470	SXYLILVBJUXEMR-NTEUORMPSA-N	367.361	3.466	50	40	FGGB	
O=C(COc1ccc(F)cc1)N/N=C/c1cccc(Br)c1	1434213	WQXCMZGETFKIRO-GIJQJNRQSA-N	351.175	3.117	50	40	FGGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)COc1nncc3ccccc13)C2	102446645	QJSHNVCAHHSUAQ-NDUVUDQASA-N	352.438	3.327	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)c2ccccc2-n2cccc2)cc1	1048166	SKBZDHOBLPTTFR-UHFFFAOYSA-N	366.446	3.117	50	40	FGGB	
COc1cc(C(=O)Oc2ccc(C=C(C#N)C#N)cc2)cc(OC)c1OC	3189088	FCZKTNZMMMTYSV-UHFFFAOYSA-N	364.357	3.362	50	40	FGGB	
C[C@@H](Nc1ccc(Br)cc1)C(=O)N/N=C/c1cccs1	994094	DLJNDADVPYLIAT-VCBXAZPMSA-N	352.257	3.461	50	40	FGGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)[C@@H](O)c1ccccc1	1243389	YILSSGTWJQUTCC-RHLNUJDMSA-N	368.824	3.018	50	40	FGGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc([N+](=O)[O-])c(O)c1	36020507	ATVXXVKJCTVETG-SRZZPIQSSA-N	364.361	3.016	50	40	FGGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccccc1[N+](=O)[O-]	4735224	ILSWDICDVCZONK-LICLKQGHSA-N	362.183	3.050	50	40	FGGB	
COC(=O)[C@@H]1C(=O)NC(SC)=C(C#N)[C@H]1c1ccc(Cl)cc1Cl	9331879	JXZUVPQUDLTWGP-NEPJUHHUSA-N	371.245	3.094	50	40	FGGB	
Cc1sc(/C=N/NC(=O)COc2ccc(F)cc2)cc1Br	1085498	SDFTXZWGRNOYLJ-REZTVBANSA-N	371.231	3.487	50	40	FGGB	
O=C(N/N=C/C1=C(Cl)CCCC1)C(=O)N/N=C/C1=C(Cl)CCCC1	5621447	HMNPEQSSPDCUKX-LQGKIZFRSA-N	371.268	3.324	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)O	59396344	QRGCKRICTVNWBU-GDNBJRDFSA-N	366.373	3.094	50	40	FGGB	
O=C(N/N=C\c1ccccc1I)Nc1ccccc1	408552001	QYSHERMQBKVAJT-YBEGLDIGSA-N	365.174	3.447	50	40	FGGB	
COc1ccc(/C(C)=N\OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	8554240	MOADNPFCUWZSET-CFRMEGHHSA-N	362.389	3.278	50	40	FGGB	
COC(=O)c1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1	408779840	LZRUJBMCWHCDBN-FBHDLOMBSA-N	350.296	3.256	50	40	FGGB	
CCS(=O)(=O)[C@H](Br)C(=O)c1ccc(Cl)cc1Cl	96517891	CZURFAKLIHUFNZ-JTQLQIEISA-N	360.056	3.332	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccccc1Br	226366372	WXJLDZNHPINTOV-UHFFFAOYSA-N	372.222	3.004	50	40	FGGB	
Cc1ccccc1NC(=S)NNC(=O)c1cccc(Br)c1	13555049	DKVLLZFQSHHOCN-UHFFFAOYSA-N	364.268	3.389	50	40	FGGB	
CC(C)CSc1ccc(C(=O)NNC(=O)c2ccco2)cc1[N+](=O)[O-]	12600441	CUUVQIILNZTKAM-UHFFFAOYSA-N	363.395	3.011	50	40	FGGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(Cl)cc3)CC2=O)cc1	409265510	VIECDKGKULCNGR-BDQMVGTNSA-N	369.852	3.406	50	40	FGGB	
CN1C(=O)/C(=N/NC(=O)CCSc2ccc(Cl)cc2)c2ccccc21	409340398	WMJVNTOEQBKEJQ-HEHNFIMWSA-N	373.865	3.319	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@@H]2c1cccs1	16577803	MVCFCBBMYSQPNJ-OAHLLOKOSA-N	373.503	3.032	50	40	FGGB	
C/C(=N/NC(=O)c1cc2ccccc2cc1O)C1C(=O)c2ccccc2C1=O	100004578	GRNOUCSASKXWNP-FMCGGJTJSA-N	372.380	3.347	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)ccc1OC(=O)O	3306236	XWMIHMGNFHOVML-LFIBNONCSA-N	366.373	3.018	50	40	FGGB	
Cc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5c(c4)OCO5)c32)c1	5130139	WZQHPSWTGVKDRI-QGZVFWFLSA-N	372.384	3.332	50	40	FGGB	
CCOc1ccccc1NC(=O)N/N=C\c1ccc(O[C@H](C)C(=O)O)cc1	408858221	QUPRKEFTXIKWJD-UAAGNOOKSA-N	371.393	3.093	50	40	FGGB	
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NNc1ccccc1	5376076	WKYUQCZSNXQUMB-SDNWHVSQSA-N	373.459	3.014	50	40	FGGB	
C/C(CC(=O)Nc1ccc(Cl)cc1)=N\NC(=O)c1cccc(C)c1O	5508968	MSRXLCJGTZFAKT-CIAFOILYSA-N	359.813	3.489	50	40	FGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	663023	PUSUQTAFBNABOG-UDWIEESQSA-N	354.366	3.016	50	40	FGGB	
COc1cc(C(=O)N/N=C/c2c(C)[nH]c3ccccc23)cc(OC)c1OC	3328811	GFXJQBLZBHOUGG-SRZZPIQSSA-N	367.405	3.266	50	40	FGGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1	9089076	FMHIKYPULZWWLY-CYBMUJFWSA-N	367.430	3.299	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])c2ccccc21	408599404	UIDIOZWYOXSMEK-FYJGNVAPSA-N	360.373	3.255	50	40	FGGB	
CCN1CC=C2[C@@H](C1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N	19853268	VHRXMNZCQHBQEN-AEFFLSMTSA-N	363.852	3.085	50	40	FGGB	
C/C(=N\NC(=O)c1sc(N)nc1C)c1ccc(N2CCCCC2)cc1	98054429	YVTVELWQQMENLC-CIAFOILYSA-N	357.483	3.178	50	40	FGGB	
O=C(N/N=C\c1ccccc1)c1ccccc1I	33341515	IVDDXACWJWQJMV-YBEGLDIGSA-N	350.159	3.055	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Cl)cn23)cc1	408721652	WKNXQEWNXUYBFP-KEBDBYFISA-N	356.813	3.459	50	40	FGGB	
CN(C)c1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	972466	GXWOPCLCBLBSEV-KRWDZBQOSA-N	359.385	3.077	50	40	FGGB	
COc1cc(Cl)cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c1O	1271990	ZAZLLFDEQWNSDX-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
CC1=CC(=O)[C@H](Cl)[C@@](C)(Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1	101028258	LFHTVIZLZIQDHD-BVGIQJAQSA-N	360.262	3.259	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)cc1O	4832018	IHVAGGMSWGNIES-DEIHGGMWSA-N	367.243	3.137	50	40	FGGB	
Cc1c(Br)c(/C=N/NC(=O)CC#N)c(C)n1-c1ccccc1	20243768	IOSSCDSSDAMRBM-VXLYETTFSA-N	359.227	3.220	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NC(N)=O	409240585	GZVAOTYDMKWIBC-VMPITWQZSA-N	350.161	3.355	50	40	FGGB	
Cc1ccc(C(=O)N[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1	5125430	BPOPPPVXARELIW-OAHLLOKOSA-N	351.233	3.285	50	40	FGGB	
CCOc1c(Br)cc(/C=C(\C#N)C(=O)NC(C)C)cc1OC	16440634	PUJRURXTIMHVIV-WUXMJOGZSA-N	367.243	3.288	50	40	FGGB	
O=C(COc1ccc(Br)cc1Br)OCCCl	1692359	YDJZIGKGAORWAA-UHFFFAOYSA-N	372.440	3.372	50	40	FGGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccccc1I	859766	BRBANYCUJVEYOA-CSKARUKUSA-N	364.142	3.430	50	40	FGGB	
COC(=O)C1=C(C)NC(N2CCCCC2)=C(C#N)[C@@H]1c1ccc(F)cc1	24982823	XVOIXAOCLBHXGG-SFHVURJKSA-N	355.413	3.181	50	40	FGGB	
Cc1ccc(-n2cnc3c(N(CCCl)CCCl)ncnc32)cc1	1657379	PELIZLQFSCGHSJ-UHFFFAOYSA-N	350.253	3.408	50	40	FGGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccccc2O)nc2ccccc21	100855367	WDZARUOYFMQQDP-BKUYFWCQSA-N	368.462	3.394	50	40	FGGB	
COC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@@H]1c1ccc(C(C)C)cc1	408603773	HDPJNBCHXSXASE-MRXNPFEDSA-N	368.462	3.368	50	40	FGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	40374660	ZXSWBKFTOJHDQO-UDWIEESQSA-N	365.345	3.384	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	169879681	POJNZGMPEUIBLL-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
CCCCCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C)o2)cc1	3081913	ZPMLOFLLUTXRQA-DEDYPNTBSA-N	357.410	3.246	50	40	FGGB	
Cc1ccc(NNC(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1Cl	47528268	MVBZGPRNJDZELQ-KBPBESRZSA-N	374.872	3.414	50	40	FGGB	
COc1ccc(CCNC(=O)/C(C#N)=C/c2c[nH]nc2-c2ccccc2)cc1	5728300	JTLJEDLCNRUAMI-QGOAFFKASA-N	372.428	3.351	50	40	FGGB	
Cc1ccccc1/C=N\NC(=O)CCCC(=O)N/N=C\c1ccccc1C	31670053	KKMBGLQXEFHLJK-VMTNTFKOSA-N	364.449	3.074	50	40	FGGB	
O=C1O[C@H]2CC[C@H](Br)C[C@@H]2C=C1C1CCC([N+](=O)[O-])CC1	5328163	KQVPHROCNMQHTB-SBBYPHCDSA-N	358.232	3.237	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccccc2OCC#N)c(C)c1	15226267	HVYUHPCOJOXGNT-HZHRSRAPSA-N	365.433	3.379	50	40	FGGB	
N#CCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	17371704	LGODGLPAYAUDOK-YBFXNURJSA-N	358.195	3.115	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CSCc1ccccc1C	1444710	SENQKUYKPMCRMB-VXLYETTFSA-N	373.434	3.295	50	40	FGGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1	4953595	ZYWJDLQTZQTOEV-NTEUORMPSA-N	367.361	3.466	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(I)cc1)c1ccco1	408711919	QPWWFXYYHJIEHX-OQLLNIDSSA-N	354.147	3.038	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(O)c(OC)c2)c(C)c1	408906182	ICTHUUVNEQZOKX-FYJGNVAPSA-N	356.422	3.191	50	40	FGGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)Nc1ccccc1F	5068678	KKEARFWTRVGVMX-DTQAZKPQSA-N	351.381	3.208	50	40	FGGB	
O=C(CCCCCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@H]2CC=C[C@H]12	5725510	SXKAAWNQVZBUID-MOMJDGAGSA-N	368.481	3.073	50	40	FGGB	
Cc1cccc2sc(NNC(=O)c3cc4ccccc4oc3=O)nc12	4121302	CZAJZRGZNQGUHL-UHFFFAOYSA-N	351.387	3.468	50	40	FGGB	
C/C(=N/NC(=O)CSc1nc2ccccc2[nH]1)c1cccc([N+](=O)[O-])c1	1108199	WQEQJINCACUFTA-JAIQZWGSSA-N	369.406	3.104	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)c1cccc(I)c1	727776	ZVVZQZNIWLXPGZ-OVCLIPMQSA-N	370.215	3.425	50	40	FGGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1OCC	6945479	OCUWJSSGLWCUCQ-LFIBNONCSA-N	352.390	3.466	50	40	FGGB	
O=C(N/N=C/c1ccc(OC(=O)c2ccccc2)cc1)c1cccc(O)c1	1458063	BRJIOVYIXHPUOR-HYARGMPZSA-N	360.369	3.375	50	40	FGGB	
O=C(CCc1cccc(F)c1)NNC(=O)c1ccccc1-n1cccc1	10741841	RWFPNUAKUHJCRL-UHFFFAOYSA-N	351.381	3.010	50	40	FGGB	
CC(C)Oc1ccc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c(O)c1	408692035	BURNWEBWBGGELL-UFFVCSGVSA-N	361.829	3.395	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1C	8182767	KNDBBEDBZPQOMF-YVUBOPQPSA-N	353.378	3.406	50	40	FGGB	
O=C(N/N=C/c1ccncc1)c1nc(-c2ccccc2)n2c1CCCCC2	8311133	MHLHHYIWGIRNJJ-HZHRSRAPSA-N	359.433	3.435	50	40	FGGB	
CCOC(=O)[C@H](CC)/C(C)=N\NC(=O)COc1ccc(Cl)c(C)c1	408957418	UJUXXQHGTPYXDE-VCRXTVNUSA-N	354.834	3.109	50	40	FGGB	
O=C(OCc1ccccc1)N1CC[C@H]2C[C@@H](CBr)O[C@H]2C1	91302783	PYESLKOIIXXBHE-KKUMJFAQSA-N	354.244	3.198	50	40	FGGB	
N#C/C(=C\c1ccc(N2Cc3ccccc3C2)cc1)C(=O)NC[C@H]1CCCO1	870332	DZJLAGVPUJJEPA-FNUHDPNESA-N	373.456	3.409	50	40	FGGB	
CCOC(=O)/C(C#N)=C\c1ccccc1OS(=O)(=O)c1ccc(C)cc1	58822860	OQILSTVQCXCTBZ-VBKFSLOCSA-N	371.414	3.233	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)Nc3ccc(C)cc3)ccc21	6784627	PQOYZDDHAFIDMU-UHFFFAOYSA-N	351.410	3.140	50	40	FGGB	
COc1cc(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	408548697	LJARFGXZXBURMK-KEBDBYFISA-N	362.813	3.195	50	40	FGGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccccc3N)o2)c1	32116983	PJAYEOHXJUCVOY-UUYOSTAYSA-N	363.373	3.079	50	40	FGGB	
CN(C)c1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	31729854	YSDNMEQBTBYXGE-ULJHMMPZSA-N	373.456	3.139	50	40	FGGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C/C=C(C#N)\C=N/OC)cc1	17124009	BDVGRDASLCXXET-WNISBOIKSA-N	370.453	3.193	50	40	FGGB	
COc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)C#N)cc1	5562714	LZCODDGSUFOVHK-UHFFFAOYSA-N	358.357	3.234	50	40	FGGB	
COc1ccc2c(c1)/C(=N/NC(=O)c1cc3ccccc3cc1O)C(O)=N2	7983380	QDRTZMYUHGCXHG-UHFFFAOYSA-N	361.357	3.290	50	40	FGGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)cc1OC	409381660	IFQARDAINZRKIO-VGOFMYFVSA-N	359.813	3.453	50	40	FGGB	
CC(C)(C)OC(=O)N(CCSSCCN)C(=O)OC(C)(C)C	98088068	GDQAOWSFAQASER-UHFFFAOYSA-N	352.522	3.499	50	40	FGGB	
CCOc1ccccc1/C=C(/C#N)C(=O)N1CCN(c2ccccc2)CC1	255079017	GRWIFOVEPAFUGV-MNDPQUGUSA-N	361.445	3.341	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(N)=S)ccc1Oc1ccc([N+](=O)[O-])cn1	6246850	IMHXAXJZCKNBIE-GHXNOFRVSA-N	370.390	3.374	50	40	FGGB	
N#C/C(=C\c1cccc(O)c1)c1nc2ccc(Br)cc2c(=O)[nH]1	5646661	UTFVCBGOMYCCQK-IZZDOVSWSA-N	368.190	3.455	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)o2)cc1OCC	6959282	BWNIDTHHPWIVDQ-RGVLZGJSSA-N	360.797	3.416	50	40	FGGB	
CCn1c(SCC(=O)N/N=C/c2cccc(F)c2)nc2ccccc21	1477335	KNJHUUAOKSDZPN-RGVLZGJSSA-N	356.426	3.438	50	40	FGGB	
O=C(N/N=c1/scc(-c2ccccc2)n1C(=O)CCl)c1ccccc1	1415506	PJNFFVNDXTZYMM-DYTRJAOYSA-N	371.849	3.341	50	40	FGGB	
COc1ccc(-c2nc(NC3CCCCC3)sc2CCC(=O)NN)cc1	3226100	JQHUPGAXHXAYLE-UHFFFAOYSA-N	374.510	3.486	50	40	FGGB	
CC(C)(O)C1=C[C@@]23C[C@](C)(C(=O)O)[C@H]4CCCC[C@]4(C)[C@H]2C[C@@H]1OO3	103942719	BMLNZARZCFTAMQ-LVNOUGRESA-N	350.455	3.464	50	40	FGGB	
O=C(NNC(=O)c1ccc(Oc2ccc(F)cc2)cc1)c1ccc(O)cc1	12820338	ZVWKCFDEJRRPJH-UHFFFAOYSA-N	366.348	3.398	50	40	FGGB	
N#CC(C(=O)COC(=O)c1ccc2ccccc2n1)=C1Nc2ccccc2N1	6538320	HNZRKNGKNWDEII-UHFFFAOYSA-N	370.368	3.233	50	40	FGGB	
O=C(N/N=C/c1ccc2nccnc2c1)c1ccc(Br)cc1	5576447	DKSSXGFTZNCTDE-KEBDBYFISA-N	355.195	3.156	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CC2(C)SCCS2)c(OC)c1	409359268	AZWDZFJUTIDPHI-GZTJUZNOSA-N	354.497	3.130	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)cc1	408797127	GFRVMJAOLVLCRA-CPNJWEJPSA-N	350.418	3.244	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccoc2C)cc1Br	672608	ULCYKQZCUJMQKA-CAOOACKPSA-N	367.199	3.132	50	40	FGGB	
Cc1ccc(CSCCNC(=O)NNC(=O)c2cc(C)oc2C)cc1	26256645	HUGVXKNAPZPIHA-UHFFFAOYSA-N	361.467	3.082	50	40	FGGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(O)cc1	57415543	GRWXGWGXZVVULH-SSDVNMTOSA-N	351.328	3.363	50	40	FGGB	
CCOc1c(Br)cc(/C=N/NC(C)=O)cc1Br	58628835	WSMUFPPECGUTSL-MKMNVTDBSA-N	364.037	3.080	50	40	FGGB	
N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(C#N)c1	408568975	XTKBFDVROHGZRK-VCHYOVAHSA-N	360.373	3.367	50	40	FGGB	
COc1cc(C)c(/C=N\NC(=O)COc2cccc(Cl)c2)cc1OC	34763816	CWRPNVRSKUKVTD-JMIUGGIZSA-N	362.813	3.195	50	40	FGGB	
N#C/C(=C/c1ccc(OCC(N)=O)cc1)c1cccc(Br)c1	137554066	SYIYGWTYSSXGKS-ZSOIEALJSA-N	357.207	3.377	50	40	FGGB	
O=NN(CCN(N=O)C(=O)Nc1ccccc1)C(=O)Nc1ccccc1	6529869	SAECSGUCUCIQPS-UHFFFAOYSA-N	356.342	3.417	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc1	4735245	BHFATILUCRZGAO-XDHOZWIPSA-N	360.255	3.208	50	40	FGGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccccc2O)nc2ccccc21	4888992	WDZARUOYFMQQDP-FYJGNVAPSA-N	368.462	3.394	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccccc2F)NC(=O)C[C@@H]1c1ccco1	409133416	LPGITXXVWAMOBN-NSHDSACASA-N	371.393	3.129	50	40	FGGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccc(C)cc2)c1	408590805	QNXUDCYCCRQCOX-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
O=C(N[C@H]1CCCC[C@@H]1N(C(=O)CCl)C1CC1)OCc1ccccc1	79392782	KIJJMGLKGMQRTM-IRXDYDNUSA-N	364.873	3.454	50	40	FGGB	
COc1ccc(C(=O)/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1	72120193	VQZBRXVYWPUXHW-ZSOIEALJSA-N	368.345	3.410	50	40	FGGB	
CCn1ncc(/C=N/NC(=O)COc2ccc(-c3ccccc3)cc2)c1F	252497120	PZNHNLDWXDNYFW-WSDLNYQXSA-N	366.396	3.238	50	40	FGGB	
CO[C@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1Br	4402325	IRWBNKOBJVFTEL-KUDSMGGUSA-N	373.250	3.461	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1Cl	664301	ICQOZJWTVIQUEO-KRWDZBQOSA-N	356.765	3.295	50	40	FGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc2ccccc2nc1Cl	826968	CFGNXLGQOYXIDX-RGVLZGJSSA-N	368.780	3.489	50	40	FGGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)C(=O)Nc1cccc(F)c1	3148486	XACVZHCDRLNXNH-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
O=C(N/N=C/c1cc(Br)cs1)c1ccc2c(c1)OCCO2	4811737	UCBWLUWSOUAJRZ-FRKPEAEDSA-N	367.224	3.046	50	40	FGGB	
COc1ccc(Br)cc1/C=N/NC(=O)Cc1cccs1	1455467	WWEZCHWPOQLMNS-CXUHLZMHSA-N	353.241	3.212	50	40	FGGB	
O=C(/C=C/c1ccc2ccccc2n1)NNC(=O)c1ccc2ccccc2n1	27687000	ZQPWQXPNNRDWLT-WYMLVPIESA-N	368.396	3.257	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(Cl)cc2)CC(=O)N1	9014850	FJKKRTMFXFUJFU-CYBMUJFWSA-N	364.854	3.365	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1c1ccc([N+](=O)[O-])s1	4126694	UYYDYKCURGSPAK-LLVKDONJSA-N	371.403	3.326	50	40	FGGB	
O=C(NNC(=O)c1cccc(O)c1)c1ccc(SC(F)(F)F)cc1	9313467	CTZAMIWBNVSPOD-UHFFFAOYSA-N	356.325	3.079	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(CSc2nncn2C)cc1)c1cccs1	4965099	NLYJMWLCLLGKHA-XDHOZWIPSA-N	371.491	3.323	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	408802710	GJJFERFCSKSURS-RVDMUPIBSA-N	368.364	3.313	50	40	FGGB	
COc1c(Cl)cc(-c2nc3cc(C(=O)NN)ccc3o2)cc1Cl	216794991	PBONKZOVEODQRE-UHFFFAOYSA-N	352.177	3.414	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	5906242	QCXLKOMJQISNIM-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
O=C(NNc1nc2c(Cl)cccc2s1)c1ccc2c(c1)OCCO2	5025717	SMMINRPYTJAXGQ-UHFFFAOYSA-N	361.810	3.478	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cccc(OC)c3O)cc2c1	6964564	NMSWQOLZBHSRHP-RGVLZGJSSA-N	354.362	3.310	50	40	FGGB	
O=C(COc1cccc(Cl)c1)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1	9614395	UQMAYVMHYNWSAK-UHFFFAOYSA-N	368.176	3.431	50	40	FGGB	
C#COc1ccc(/C=N/NC(=O)c2cc(F)c(F)cc2Cl)cc1OC	59461490	UMFLMKDUCVWYQM-ZVBGSRNCSA-N	364.735	3.360	50	40	FGGB	
C[C@H](Sc1nnc2ccccn12)C(=O)C(C#N)=C1Nc2ccccc2N1	7297224	KYKXVHNGTJZGGE-NSHDSACASA-N	362.418	3.052	50	40	FGGB	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccc(N(C)C)cc1	409018988	ZUWFRLQYCLYEEN-KEBDBYFISA-N	355.829	3.126	50	40	FGGB	
Nc1ccccc1C(=O)N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408718896	UMVBUAJIUGOGFG-JAIQZWGSSA-N	350.334	3.201	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1	853168	OZIJBVWKFSPZFK-FYJGNVAPSA-N	355.438	3.006	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)c2ccco2)c(C(C)C)cc1Cl	999230	ZDABTEMPCLRFJY-UHFFFAOYSA-N	350.802	3.205	50	40	FGGB	
COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c1	4453414	CYGBMMHWSUQCFI-KRWDZBQOSA-N	374.400	3.312	50	40	FGGB	
Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3cccnc3)c2c1	1008004	WBGSCJJTEFITSE-SRZZPIQSSA-N	350.447	3.489	50	40	FGGB	
CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cc1ccc(C)cc1C	20195412	JMZYAWATBMAYFL-UDWIEESQSA-N	355.394	3.303	50	40	FGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=O)c2ccc(Cl)cc2)c(C)c1	4591695	WBBNGDIFJIHBBT-UHFFFAOYSA-N	373.840	3.137	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NC(=O)c1ccccc1Cl	408586511	CIHHSUJHKJAWCV-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
COC(=O)c1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	96499174	LIGBLXHZPRFSTI-PDGQHHTCSA-N	373.412	3.220	50	40	FGGB	
COc1ccc(Br)cc1/C=N/NC(=O)CNc1ccccc1	1040905	GHKJKCUBROPWPS-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
COc1cccc(-c2[nH]nc3c2[C@@H](c2ccccc2F)C(C#N)=C(N)O3)c1	5156749	XMNYPJHUCKUDFE-INIZCTEOSA-N	362.364	3.443	50	40	FGGB	
COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1O[C@@H](C)C(=O)O	15013639	KNMWKQKLJDJRHB-LQELWAHVSA-N	363.373	3.488	50	40	FGGB	
CCOC(=O)C1=C(C)NC(O)=C(C#N)[C@H]1c1cccc(Br)c1	20813004	KBIZEYCXXKGJAQ-CQSZACIVSA-N	363.211	3.266	50	40	FGGB	
CC#C[P@@](=O)(OC)[C@](O)(CBr)c1ccc([N+](=O)[O-])cc1	1297615	PZCBTWKZGNGUHH-MPBGBICISA-N	362.116	3.040	50	40	FGGB	
COc1ccc(Br)cc1/C=N/NC(=O)C1[C@@H]2CCCC[C@@H]12	100957038	QMWBRQVTGBUOAJ-ZDFMGPMUSA-N	351.244	3.344	50	40	FGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)OC(C)(C)C)c2ccccc21	408807711	DXSPDRZGVIHIIR-RGVLZGJSSA-N	359.426	3.371	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1C(=O)O	409164707	MLZGZIHXLPTCDG-UKTHLTGXSA-N	352.346	3.035	50	40	FGGB	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NNC(=O)c1ccccc1F	40140314	YKTBGSANPWZDEU-CQSZACIVSA-N	358.413	3.486	50	40	FGGB	
C[C@@]1(C(=O)N/N=C/c2cccs2)CC1(Br)Br	2750958	INRMTUNZSJJBDM-DHIBQTOVSA-N	366.078	3.094	50	40	FGGB	
O=C(NN(Cc1ccccc1)Cc1ccccc1)c1ccc2nn[nH]c2c1	12506412	APIVOICQEMQYJV-UHFFFAOYSA-N	357.417	3.305	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)cc1	8372171	PYJVTAAIXHHCHG-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
COc1ccccc1[P@@](=O)(c1ccccc1)c1ccc([N+](=O)[O-])cc1	38141376	KRYOJAAIQDBETN-RUZDIDTESA-N	353.314	3.243	50	40	FGGB	
CCC[C@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	20000750	GCROYISKKGFJPF-PMACEKPBSA-N	357.461	3.245	50	40	FGGB	
N#C/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1ccc([N+](=O)[O-])cc1	409215309	XEKFHESDMRCZHD-WZUFQYTHSA-N	356.250	3.181	50	40	FGGB	
COc1ccc(/C(C#N)=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC	408579641	IXYHZMZWFKCMGH-AWNIVKPZSA-N	356.334	3.390	50	40	FGGB	
N#C/C(=C\c1ccccc1OCC(N)=O)c1ccc(Br)cc1	408581093	UJWXIZVPCZKWRH-NTEUORMPSA-N	357.207	3.377	50	40	FGGB	
N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)C(=O)Nc1ccc(O)cc1	409379000	UALNLXSUEIRTQP-QINSGFPZSA-N	373.368	3.427	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C\c2ccc(N3CCCCC3)cc2)cc1	35712533	ABGRBSGCKIKPGG-JCMHNJIXSA-N	367.449	3.215	50	40	FGGB	
CCCc1ccc(OCC(=O)NNC(=S)Nc2cccc(C)c2)cc1	4575427	WYFPOZGKVICKAV-UHFFFAOYSA-N	357.479	3.344	50	40	FGGB	
ClCCN(CCCl)c1ncnc2c1ncn2Cc1ccccc1	1621644	KCKDWNZMKJLRBQ-UHFFFAOYSA-N	350.253	3.159	50	40	FGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)/C=C/c2ccccc2OC)cc1	3307323	COUZGRVKXIMFBN-NTCAYCPXSA-N	367.449	3.016	50	40	FGGB	
CCOc1ccc(C(=O)OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	6510464	UPUAEOBOUVJQHO-UHFFFAOYSA-N	363.373	3.084	50	40	FGGB	
O=C(CCCC[C@@H]1CCSS1)NCCCc1nnc2ccccn12	96116339	ILYGUBGRRDJUOY-CQSZACIVSA-N	364.540	3.492	50	40	FGGB	biogenic
CCc1[nH]nc2c1[C@H](c1cc(Br)cs1)C(C#N)=C(N)O2	5646172	ZJIVUSYTOBGAGS-JTQLQIEISA-N	351.229	3.014	50	40	FGGB	
CCOC(=O)c1c(NC(=O)CCl)nc(SC)n1Cc1cccs1	2576666	VIIJHBVAZBUBND-UHFFFAOYSA-N	373.887	3.069	50	40	FGGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1cccc(O)c1	4713832	MWBAWVMKORSXCF-CIAFOILYSA-N	359.813	3.489	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)NCc1cccnc1	26966268	OVNXVXNRBRJWIN-MHWRWJLKSA-N	374.356	3.473	50	40	FGGB	
O=C(N/N=C/c1ccccc1)c1cccc(I)c1	59502243	YCQGWCSAJUTPDJ-MHWRWJLKSA-N	350.159	3.055	50	40	FGGB	
Cc1ccc(-c2cnc(CCC(=O)NNC(=O)c3ccccc3)o2)cc1C	11330762	VEIAMKFTCROVFW-UHFFFAOYSA-N	363.417	3.352	50	40	FGGB	
O=C(N/N=C/c1ccco1)c1ccn(Cc2ccc(Br)cc2)n1	1089363	DWQWSTWNMPZNKX-VCHYOVAHSA-N	373.210	3.051	50	40	FGGB	
CCc1cc(C(=O)NNC(=O)c2ccccc2Br)sc1C	5173953	COXACIMSCPRJQG-UHFFFAOYSA-N	367.268	3.456	50	40	FGGB	
CN(C)c1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1	5393706	HCEYKWMDRFZRJJ-CXUHLZMHSA-N	352.257	3.341	50	40	FGGB	
O=C(NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc[nH]c1=S	30604725	CDJHXXRDUCXBFG-UHFFFAOYSA-N	358.301	3.428	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1nccs1)[C@H](Br)C2=O	100868215	XQINMRULNBSVAS-GFWSLJDESA-N	357.273	3.241	50	40	FGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)cc(OC)c1O	79484892	OCMXSSJXUAJPFV-QGZVFWFLSA-N	363.373	3.109	50	40	FGGB	
COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c1	4453415	CYGBMMHWSUQCFI-QGZVFWFLSA-N	374.400	3.312	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1	1244857	XWTOIJJFZJCDAT-YBFXNURJSA-N	354.435	3.204	50	40	FGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)CSCc2ccccc2)c1	59436947	PNSZWBWICDEHMF-KGENOOAVSA-N	355.463	3.419	50	40	FGGB	
N#CC1=C(C(=O)OCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CCC1	89769815	UKPSQOQTIXTDFS-UHFFFAOYSA-N	370.739	3.427	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	408797268	QZBFRYKZNDFNHS-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc2c(c1)OCO2	3027192	NZBGRHAYLBHBIG-FBCYGCLPSA-N	367.188	3.251	50	40	FGGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(OC)cc2OC)cc1	3262515	YBNTWDBLEYOKEG-KGENOOAVSA-N	355.438	3.314	50	40	FGGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccnc1)[C@H](Br)C2=O	100924392	DDVDWFCVOIQBSE-RLCCDNCMSA-N	351.244	3.179	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cn2)c2ccccc12	2296742	USPUQDMBKAIECZ-SRZZPIQSSA-N	364.361	3.306	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4cccs4)ncnc32)cc1C	11025562	WYGQZTAUOVTOTB-UHFFFAOYSA-N	364.434	3.251	50	40	FGGB	
COc1ccnc(NNC(=O)[C@@H](Sc2ccccc2)c2ccccc2)n1	46364889	TUCWOWJSZTXXGL-KRWDZBQOSA-N	366.446	3.462	50	40	FGGB	
N#Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1	409015712	QFBBNBGRIJKLTN-CIAFOILYSA-N	360.329	3.490	50	40	FGGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(F)c(Cl)c1	7164796	WKLALFLTTRJPFI-KPKJPENVSA-N	374.755	3.488	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccc2ccccc12	409104309	CQESUMNHYRKVRR-XQNSMLJCSA-N	359.429	3.440	50	40	FGGB	
CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccccc2[N+](=O)[O-])cc1	711157	YCFMLYFZBOGIFX-UDWIEESQSA-N	355.394	3.421	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccco2)[nH]n1	946066	LVNZBPOKPUETGV-CIAFOILYSA-N	374.404	3.236	50	40	FGGB	
ClCCN(CCCl)c1ccc(/C=N\N=c2/cc(Cl)nc[nH]2)cc1	4707441	KHJAYJGGBGZHOZ-FBHDLOMBSA-N	372.687	3.282	50	40	FGGB	
C[C@@H]1CCc2sc(C(=O)NNC(=S)N[C@H]3C[C@H]4CC[C@H]3C4)cc2C1	110516239	OGPMJXQUTHSNCF-UHXUPSOCSA-N	363.552	3.170	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)N/N=C/c1ccc(N(C)C)cc1)c(C)n2C	2220305	FSKVLELPZRJPOE-LPYMAVHISA-N	364.449	3.325	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C\c2ccc(N3CCCC3)cc2C)c1	107946054	CRBNHGNHAWVLNX-HMAPJEAMSA-N	364.449	3.318	50	40	FGGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(Br)ccc1O	4590788	VZMJMBVAVADAHD-DJKKODMXSA-N	358.195	3.400	50	40	FGGB	
N#C/C(=C\c1c[nH]c2ccc(Br)cc12)C(=O)NC[C@@H]1CCCO1	409206432	OHIAABILWMBFTQ-MUAYPFOZSA-N	374.238	3.133	50	40	FGGB	
N#C/C(=C/c1cc2c(cc1Cl)OCO2)C(=O)Nc1cccc(C(=O)O)c1	408542353	LBUDJEXSCVLVNY-QCDXTXTGSA-N	370.748	3.313	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1OC	15476141	HLXQWAUODYMQGF-UHFFFAOYSA-N	364.401	3.322	50	40	FGGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1c(C)[nH]c(C#N)c1C)C(C#N)=C(N)O2	1088722	VAIPTORIYSPZBN-IBGZPJMESA-N	370.416	3.216	50	40	FGGB	
O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1	1087170	UVZPGZRICHDKGW-UHFFFAOYSA-N	361.357	3.337	50	40	FGGB	
CCc1ccc(CC(=O)N/N=C\c2cc(Br)ccc2O)cc1	409360284	DMSQXKKQZQDZLJ-ODLFYWEKSA-N	361.239	3.410	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@@H]1c1cccs1	9109857	WAIBRZJHGASWNZ-ZDUSSCGKSA-N	369.471	3.459	50	40	FGGB	
CC1=C(C#N)C(=O)N(C)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1	13601903	SPEGKFMNYOBIPB-XFFZJAGNSA-N	358.810	3.084	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)s2)cc1	5481012	ITYGBOYFVSXPGE-LZYBPNLTSA-N	366.240	3.233	50	40	FGGB	
CO[C@@H](C(=O)N/N=C(\C)CC(=O)Nc1ccc(C)cc1)c1ccccc1	5414834	ZPATVMQDDLIETM-QTCOBDOFSA-N	353.422	3.203	50	40	FGGB	
CCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc(OC)cc2)cc1	3067994	UKAMUHOAFWTUHW-KGENOOAVSA-N	353.422	3.127	50	40	FGGB	
CN1CCN(C(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)CC1	26841659	DCPJDHIPJRYVPQ-WYMLVPIESA-N	355.825	3.281	50	40	FGGB	
Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccc(O)cc1	3340270	VATYOGDSBIPGEU-UFFVCSGVSA-N	372.787	3.443	50	40	FGGB	
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccco3)cc2)cc1	408763212	OIQUOZVQEYCJGN-FYJGNVAPSA-N	364.357	3.271	50	40	FGGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1OCC(=O)O	7157828	JGDCWJDLOCSSKY-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
CC(C)c1nn(C)cc1/C=C(/C#N)c1nc(N)nc(Nc2ccccc2)n1	48355132	HSLIXIGOFYZPKE-LCYFTJDESA-N	360.425	3.118	50	40	FGGB	
COc1ccc(-c2cc(C(=O)NNc3ncnc4ccccc34)no2)cc1	1616032950	XWGPTHYUXRRPAA-UHFFFAOYSA-N	361.361	3.050	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)O	59484970	UQZUKBGEVVNQFQ-UFWORHAWSA-N	367.188	3.464	50	40	FGGB	
O=C(CCl)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2	2569098	IQYDQPGZGIUEJV-UHFFFAOYSA-N	352.843	3.327	50	40	FGGB	
COC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1	16185193	BFNCWFNFQAYJKH-PTNGSMBKSA-N	372.384	3.409	50	40	FGGB	
CSc1ncc(/C=C/C(=O)NNc2ccc(Br)cc2)cn1	408534307	UZUVJALGIXADEE-FARCUNLSSA-N	365.256	3.118	50	40	FGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1cc(Cl)cc(Cl)c1O	4546959	ZEXICQIETIRYDO-UBKPWBPPSA-N	370.148	3.077	50	40	FGGB	
CS(=O)(=O)[C@H](Br)[C@@H](O)c1ccc(-c2ccccc2)cc1	96519002	SIWPZBOJBULMML-GJZGRUSLSA-N	355.253	3.153	50	40	FGGB	
CCCCN1C(=O)/C(=N/NC(=O)CNc2cccc(C)c2)c2ccccc21	100841046	YIFSBACSCBRKSE-HIXSDJFHSA-N	364.449	3.074	50	40	FGGB	
Cc1nc(N)sc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	100649113	QRAJGTOQZRPRMY-SRZZPIQSSA-N	366.446	3.377	50	40	FGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)Nc1ccc(F)cc1	59302973	ZFFKENCCQDMZLR-GHXNOFRVSA-N	374.755	3.488	50	40	FGGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(C(=O)O)cc1	408768490	XGFBOPNLAVROON-DJKKODMXSA-N	362.838	3.422	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)/C=C/c2cccc(C(F)(F)F)c2)c(C)o1	7061174	DESUTXJIBXIQHS-VOTSOKGWSA-N	352.312	3.390	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)CCC(=O)c2ccc(Cl)s2)cc1	7777037	VITBZZWRHDHHHE-UHFFFAOYSA-N	350.827	3.134	50	40	FGGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2)c1C	408870451	DVEVXMPOZAUHII-OEAKJJBVSA-N	374.444	3.491	50	40	FGGB	
C/C(=N/NC(=O)[C@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1	36187458	STHPUSNGKMUUPG-OLIBUNOHSA-N	364.323	3.386	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(OC)c1	5879879	ZXOUHXUEIKLPTE-MDWZMJQESA-N	353.334	3.158	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2[N+](=O)[O-])C(C#N)=C(N)O1	710723	CZQYEYLEKIYJFU-OAHLLOKOSA-N	357.366	3.020	50	40	FGGB	
N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(Cl)cc1	753713	LCHPEAMYWVEQIG-ACCUITESSA-N	357.797	3.315	50	40	FGGB	
C[C@@H](Oc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1)C(=O)O	4509020	PAHNWZWFORVWPI-CYGNYLSHSA-N	362.385	3.456	50	40	FGGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(O[C@H](C)C(=O)O)cc2)cc1C	408814961	QVBJTZOXKJUEEX-LPKQHDGYSA-N	355.394	3.311	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2[nH]c3c([N+](=O)[O-])cccc3c2C)cc1	2203031	YKIXXLLBBXSFTL-VXLYETTFSA-N	352.350	3.157	50	40	FGGB	
N#C/C(=C\c1ccco1)C(=O)Nc1cccc(I)c1	2772877	KVYMYFBXLBUSFQ-JXMROGBWSA-N	364.142	3.430	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)c(C)s1	12601810	IHFDKWYBHRDVBF-UHFFFAOYSA-N	371.487	3.492	50	40	FGGB	
NNC(=O)c1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)nc2c1	226344623	IDODJFAQOGRZSG-UHFFFAOYSA-N	365.618	3.249	50	40	FGGB	
CCc1nc(SCC(=O)NNC(=O)C2CCCCC2)c2ccccc2n1	1332542	GKWDCDIUUPYSEC-UHFFFAOYSA-N	372.494	3.012	50	40	FGGB	
C[C@]1(CI)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br	108380226	RRHSBISFIQTULS-MBLNEYKQSA-N	357.029	3.190	50	40	FGGB	
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)c(C)c1	408927036	XPCNDMSCJKHZFT-UHFFFAOYSA-N	352.843	3.282	50	40	FGGB	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)n(-c2ccccc2)n1	96767378	DURWVKSXJVJIRR-YBEGLDIGSA-N	372.384	3.455	50	40	FGGB	
O=C(CSc1nc2ccccc2s1)N/N=C\c1ccccc1C(=O)O	15990117	JHJSSQFJTFBLCX-NVMNQCDNSA-N	371.443	3.237	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(C#N)cc2)c(Br)c1	672700	AHODRTIFZDKUPR-KEBDBYFISA-N	372.222	3.158	50	40	FGGB	
O=C(NN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccncc1	15461503	IULAQRBNNAUPNI-FQEVSTJZSA-N	370.412	3.422	50	40	FGGB	
O=C(COc1ccc2ccccc2c1)NNC(=O)Nc1ccc(F)cc1F	15933956	RHMLPSYEELAZHO-UHFFFAOYSA-N	371.343	3.350	50	40	FGGB	
CC(=O)N[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)C(C)C	7783658	NFNAQFYGVOJKSM-LLVKDONJSA-N	352.649	3.251	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccco4)ncnc32)cc1Cl	17120922	JKGYHOKZDJLIKK-UHFFFAOYSA-N	368.784	3.127	50	40	FGGB	
O=C(N/N=C\c1ccc(O)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	36092105	CYZNMVWCRWRJOD-IDUWFGFVSA-N	354.149	3.371	50	40	FGGB	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)NCCc1ccccc1	1096173	TUDDKKLDKTYSBQ-XNTDXEJSSA-N	371.234	3.421	50	40	FGGB	
N#CC1=C(SCC(=O)c2ccc(F)cc2)NC2(CCCC2)[C@@H](C#N)C1=O	5633739	FWGWXWIJAPEUBI-HNNXBMFYSA-N	369.421	3.102	50	40	FGGB	
CCOC(=O)/C(C#N)=C\c1cn(CCC(=O)O)nc1-c1ccc(Cl)cc1	6179689	BLPCBPUSPPHAFU-LCYFTJDESA-N	373.796	3.148	50	40	FGGB	
Cc1ccc(C(O)(C(=O)NNC2CCCCC2)c2ccc(C)cc2)cc1	728324	LTMLJMIGHLOHLN-UHFFFAOYSA-N	352.478	3.493	50	40	FGGB	
O=C(NCCSSCCNC(=O)c1ccccc1)c1ccccc1	1703172	RDXMIGPSLSXUGV-UHFFFAOYSA-N	360.504	3.228	50	40	FGGB	
CCc1c(C(=O)NNc2nc(C)cc(C)n2)cnn1-c1cccc(Cl)c1	24743724	QWCZZKNISIILHA-UHFFFAOYSA-N	370.844	3.252	50	40	FGGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccccn1)[C@H](Br)C2=O	100924453	COXDGJRANVSIPH-RLCCDNCMSA-N	351.244	3.179	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)C2CC2)cc1CSc1ncccn1	6560768	UJLLROARGQGBBM-CIAFOILYSA-N	356.451	3.028	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc(C)c1Cl	5924537	OXULKBAHYSDLSB-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
CS(=O)(=O)SCCNC(=O)c1c2ccccc2cc2ccccc12	35636687	PXGKTEYJRHJSDP-UHFFFAOYSA-N	359.472	3.416	50	40	FGGB	in-vitro
Cc1cc(/C=C(/C#N)C(=O)N(C)C)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408856409	JVCUTTJQQNRYGE-ZSOIEALJSA-N	371.824	3.441	50	40	FGGB	
CC(C)c1ccc(CCC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	40140076	LMGVFDVJJODTDA-UHFFFAOYSA-N	355.394	3.112	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)c1cc(Br)ccc1O	6223629	DVVSEXUXDOYKON-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N3CCCCCC3)o2)cc1	6363403	QZFBTAGJIQCULM-KGENOOAVSA-N	368.437	3.382	50	40	FGGB	
Cc1ccn2c(C(=O)NNC(=O)Nc3ccc(Cl)cc3)c(C)nc2c1	652070	ORYOPFSWYDMHRP-UHFFFAOYSA-N	357.801	3.071	50	40	FGGB	
COc1ccccc1[C@](O)(C(=O)NNc1cccc(C)c1)c1cccs1	1087505	XSEOCSFNRYDDSC-HXUWFJFHSA-N	368.458	3.444	50	40	FGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccc(Cl)c(Cl)c1	409070286	LJVLESOUJPBQGZ-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c1C	96663307	GWIIIKUIHOUUCC-NSIKDUERSA-N	365.345	3.486	50	40	FGGB	
NNC(=O)c1ccc(OCc2ccccc2Cl)c(Br)c1	216819658	ISQAOKHCMPTXKT-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
CCn1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C(C)C)n1	253407419	WJEVGJGNJQLRNU-MRXNPFEDSA-N	354.454	3.477	50	40	FGGB	
COc1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(Cl)c1O	8112352	NZWWILVJRCDAMQ-UFWORHAWSA-N	369.204	3.237	50	40	FGGB	
CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C2/CCCC[C@H]2C)c1	35189578	NWLZFGCAYMVXPO-RMYFCYLKSA-N	365.499	3.013	50	40	FGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(C)c32)ccc1OC(C)C	5408527	WPQJNHFHPSGCMM-KRWDZBQOSA-N	354.410	3.122	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)CNc2ccc(F)cc2)cc1Cl	409356722	HGHQTDNXRMOCSC-ZVBGSRNCSA-N	365.792	3.059	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)CCc2ccccc2)cc1[N+](=O)[O-]	408958420	YSOKEZHAQOJKIC-XSFVSMFZSA-N	355.394	3.467	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)c2cc3cccc(OC)c3o2)cc1	408585636	HJTWDTFDLUALLE-UHFFFAOYSA-N	371.418	3.081	50	40	FGGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCC#N	408786216	HDUDGGTYRHSMTE-BOPFTXTBSA-N	353.422	3.148	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccccc1	408722715	WJZRCJLWEQISFV-OEAKJJBVSA-N	355.397	3.305	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccccc2Cl)c1C	408939893	NFXJVOHYJMYRJX-KIHMUJGBSA-N	374.872	3.112	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(Br)cc1O	67006346	INDBLUXBCFOIKB-WDZFZDKYSA-N	365.227	3.129	50	40	FGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Br	408819903	YZIWCCXMJRBSIX-HAAVITCDSA-N	367.243	3.288	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)cc1	96398770	LTCRSCOHWDITKS-NXZWKRQJSA-N	370.449	3.086	50	40	FGGB	
O=C(N/N=C/c1cccnc1)[C@H]1Oc2ccccc2O[C@@H]1c1ccccc1	1470144	YNXXUAWDFJILHC-NKPGHXBVSA-N	359.385	3.113	50	40	FGGB	
O=C(/C=C/c1ccco1)NNC(=O)COc1ccccc1-c1ccccc1	2546327	NCLQHKFJIRDAON-OUKQBFOZSA-N	362.385	3.186	50	40	FGGB	
Cc1ccc(CN2C(=O)/C(=N\OC(=O)CCCl)c3ccccc32)cc1	3064119	VCOHABZYOKVRON-UZYVYHOESA-N	356.809	3.418	50	40	FGGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C/c1ccc2c(c1)OCO2	4811600	YUYAVSPRCYZKLO-WTILRYNPSA-N	355.221	3.457	50	40	FGGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccccc1C(=O)O	20246274	WRIYALKQTKUFSM-DJKKODMXSA-N	362.838	3.422	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2O)cc1	23410976	TVWAXYNETMKOOB-RGVLZGJSSA-N	371.393	3.127	50	40	FGGB	
Cc1cc(C)n2nc(C(=O)NN(c3ccccc3)c3ccccc3)nc2n1	36725137	WUFMFLRLLZWGLU-UHFFFAOYSA-N	358.405	3.224	50	40	FGGB	
COc1ccc(NC(=O)C/C(C)=N/NC(=O)CCc2ccccc2)cc1	100923075	PNWAUPCMWQXMHE-PXLXIMEGSA-N	353.422	3.149	50	40	FGGB	
CCOC(=O)C/C(C)=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	105573831	VLALATSGHYACJC-OAOMGELKSA-N	361.225	3.206	50	40	FGGB	
C#CCOc1c(Br)cc(/C=C(/C#N)C(N)=S)cc1OCC	408542839	LBOZBYGBCUOTRB-WDZFZDKYSA-N	365.252	3.053	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1O	408949685	IQKTVDHWKVMGGH-YBEGLDIGSA-N	361.401	3.148	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	409229894	VVWFMVYQLGMCIK-YDRQLGOLSA-N	351.362	3.388	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)c1sc2cc(F)ccc2c1Cl	104629594	NQEINHXLURILMY-YFHOEESVSA-N	352.774	3.176	50	40	FGGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2cccnc2)c1O	5711622	JEJGPMBGSQOASV-UFWORHAWSA-N	354.193	3.257	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C1/C(=O)N(C(C)C)c2ccccc21	409149515	IOGXEUOKKJWBLZ-XDJHFCHBSA-N	361.401	3.366	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c(C)c1	408906672	CZZZHHRUIXHNLA-DEDYPNTBSA-N	355.394	3.385	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(C)n1-c1ccc(F)cc1	408588642	JERPCBHUKSAGKS-VMHRPQTGSA-N	365.408	3.417	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)ccc1OCC(C)C	6209762	CJWXSATVTHIJJY-LTXFRBGYSA-N	372.465	3.322	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)C(C#N)(C#N)[C@@H]1c1ccccc1	20790768	MLRCUQKSOZOVSI-UXHICEINSA-N	374.407	3.371	50	40	FGGB	
Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2)cc1	1245265	GMFBVMLXGVUPRE-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
Cc1cc2c(c(=O)n1CCc1ccccc1)[C@H](c1ccco1)C(C#N)=C(N)O2	1472253	IKTPBLSSPFKYPB-IBGZPJMESA-N	373.412	3.211	50	40	FGGB	
C/C(=N\NC(=O)c1ccc2ccccc2n1)c1cc2ccccc2oc1=O	43775788	ZHLPSKJCSPOOJR-YDZHTSKRSA-N	357.369	3.495	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)C(C#N)=C(N)O3)c1	5163921	DXWNSACOSOSNCH-INIZCTEOSA-N	362.364	3.443	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1	4722778	URZKZXJHACLIAU-RIYZIHGNSA-N	367.361	3.417	50	40	FGGB	
Cc1cc(C)n(Cc2ccc(C(=O)NN=C3CC(C)(C)NC(C)(C)C3)o2)n1	8549367	UWMPFODHFSFFOO-UHFFFAOYSA-N	371.485	3.168	50	40	FGGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCOCC2)c1C	408965423	HHFHKEKJVUPICC-ZHZULCJRSA-N	363.461	3.422	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Br)o2)cc1	217441128	UIIBKERVSJRLTD-WQLSENKSSA-N	361.195	3.274	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccccc1[N+](=O)[O-]	1458045	ZHFUPSPGRYDKOT-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1	6248028	XHFUISDETJMZSM-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)NNC(=O)CCl)c(C(C)(C)C)c1	2557561	QYIKEDHBOGYTAH-UHFFFAOYSA-N	354.878	3.047	50	40	FGGB	
CC(=O)Oc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1	59333699	HYTWECQGDAOQDX-BOPFTXTBSA-N	351.406	3.015	50	40	FGGB	
O=C(CCC(=O)OC(CCl)CCl)Nc1nc2ccccc2s1	2751529	VAJROKYUALHVRZ-UHFFFAOYSA-N	361.250	3.404	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(Cl)c([N+](=O)[O-])c2)cc1	408711675	FIARTNBPEHEZDT-ODLFYWEKSA-N	361.785	3.340	50	40	FGGB	
Cc1ccc(O)c(/C=N/NC(=O)CNc2ccc(Br)cc2)c1	409358476	UTZDVIRNLPFYPB-DJKKODMXSA-N	362.227	3.025	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(N)=O)c(Cl)c2)cc1	409218752	GUNFWRKZAPPPFS-RIYZIHGNSA-N	369.808	3.058	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c([N+](=O)[O-])cc1OC	212117969	LZHZTRAWQLDFCC-ZSOIEALJSA-N	367.361	3.466	50	40	FGGB	
C/C(=N/NC(=O)c1cccc(F)c1)c1cccc(NC(=O)C(F)(F)F)c1	5887930	CNMIAPHCGZTMRO-RMORIDSASA-N	367.302	3.481	50	40	FGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(Br)cc1	1497121	GFZJZPBIOXNPCE-LICLKQGHSA-N	362.183	3.050	50	40	FGGB	
CN(C)c1ncnc2c1NC1=C(S2)C(=O)CC(C)(C)[C@@H]1Br	5302759	KLIJGARJVNICGS-LLVKDONJSA-N	369.288	3.034	50	40	FGGB	
O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1ccc(O)cc1	4564995	UFMIPJUDYFSBAO-UYRXBGFRSA-N	356.325	3.375	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)c2cc(Br)ccc2O)cc1	408864920	ABAYOXHYOCHKQC-ZDLGFXPLSA-N	363.211	3.317	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/NC(=O)c1ccccc1Cl	408741315	PAFAMTBSPIMBKJ-PZUDMAOCSA-N	354.797	3.095	50	40	FGGB	
N#C/C(=C\c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(N)=S	408543825	RHJATGRJXJZRFP-IZZDOVSWSA-N	370.346	3.488	50	40	FGGB	
CC1(C)[C@@H](C(=O)N/N=C\c2ccc3c(c2)OCO3)[C@@H]1C=C(Cl)Cl	36173833	YUYAVSPRCYZKLO-PVGRVSBESA-N	355.221	3.457	50	40	FGGB	
CC(C)c1ccc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)cc1	216723074	ARYMJUNMUYQNKI-UHFFFAOYSA-N	351.406	3.087	50	40	FGGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2cc3ccccc3o2)cc1)C(=O)O	2054094	ZKKCTQUOJVYDDC-DQAKUKQTSA-N	352.346	3.049	50	40	FGGB	
COc1ccc(OC)c([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c1	6691015	LKIMLQCJJZOKQJ-QGZVFWFLSA-N	374.400	3.312	50	40	FGGB	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N/N=C/c1ccc2ncccc2c1	8657587	ZJHQIGPDGNUBFN-NEIHUHTASA-N	368.437	3.084	50	40	FGGB	
N#Cc1ccc(COc2ccccc2/C=N\NC(=O)c2ccncc2)cc1	408924380	IEHYWJNCFHIDQW-OYKKKHCWSA-N	356.385	3.296	50	40	FGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(F)cc1)c1ccccc1	408979965	OZNFNDHWGWSMIH-RSZPVBOMSA-N	357.385	3.153	50	40	FGGB	
CC(C)N(C[C@@H]1CCN(C(=O)CCl)C1)C(=O)OCc1ccccc1	79412003	AOLTXHGNDJELKG-MRXNPFEDSA-N	352.862	3.121	50	40	FGGB	
O=C(CNC(=O)c1cccc2ccccc12)N/N=C/c1ccc(Cl)cc1	4079669	DREFXNAMCNWXRL-FSJBWODESA-N	365.820	3.373	50	40	FGGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1F	4953797	PMCIDWYGNRLIHL-YRNVUSSQSA-N	356.269	3.188	50	40	FGGB	
C[C@@H](Cl)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	3886426	LICNTNAKLWEGRL-SNVBAGLBSA-N	365.282	3.080	50	40	FGGB	
Cc1cc(N2CCCC2)ccc1/C=N/NC(=O)c1cccc(N(C)C)c1	4106772	PPBKFKMYVOAMMD-PXLXIMEGSA-N	350.466	3.425	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2Cl)[C@H]2CNCC=C12	19851776	IOYRPICKCWBFAJ-DZGCQCFKSA-N	370.243	3.006	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)ccc1O	408969050	GKMIHCGUVBHOCR-RGVLZGJSSA-N	354.362	3.310	50	40	FGGB	
NNC(=O)c1cc(Cl)c(OCc2ccccc2)c(Br)c1	226340346	JVUNWRDUTXBMQV-UHFFFAOYSA-N	355.619	3.285	50	40	FGGB	
N#Cc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	6448871	CKHKBXZSLXFLJC-UHFFFAOYSA-N	371.396	3.065	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)c2cccc3ccccc23)cc1	59449435	BJYBNZSAOFHKHL-UHFFFAOYSA-N	351.431	3.480	50	40	FGGB	
O=C(CN1CCCc2ccccc21)N/N=C/c1c(O)ccc2ccccc12	2348880	ODYAWFDSDTWYKZ-OEAKJJBVSA-N	359.429	3.448	50	40	FGGB	
Cc1ccc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)cc1[N+](=O)[O-]	6278597	PLJKLJWDUNGHPH-ZBJSNUHESA-N	360.373	3.481	50	40	FGGB	
CCC[C@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(Cl)cc1C	4523876	YBAMDVYJZXQXIY-HYTQYMIGSA-N	368.861	3.499	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OC)c(OCC)c2)cc1	408711904	PZBQWGWPGKWOTA-STZFKDTASA-N	356.422	3.185	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)cc([N+](=O)[O-])c1O	409175975	GQKGOAZUUQDDSZ-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
CCN(NC(=O)c1nc(C)n(-c2ccc(F)cc2)n1)c1ccc(C)cc1	11355475	PLJMZUHIHNCWBR-UHFFFAOYSA-N	353.401	3.195	50	40	FGGB	
O=C(NNc1ccccc1)C(Cc1ccccc1)C(=O)NNc1ccccc1	811386	NCMKSRWYEKABHX-UHFFFAOYSA-N	374.444	3.132	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1	3106868	YGBMBPSGKXUZEI-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
CN(C)C1=NP(N(C)C)(N(C)C)=NC(C(Cl)(Cl)Cl)=C1C#N	4285525	KUUVAMSMRNZQPX-UHFFFAOYSA-N	371.640	3.177	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)c4ccccc4)ncnc32)c(C)c1	7393263	WAMMNTDYSFEGQB-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
CC(C)(C)OC(=O)COc1ccc(/C=N/NC(=O)Cc2ccccc2)cc1	408870195	SEBGHOUFODRMLC-HYARGMPZSA-N	368.433	3.100	50	40	FGGB	
CC(C)N(C[C@@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1	79411989	LSKVKDCEKUBYPD-INIZCTEOSA-N	352.862	3.263	50	40	FGGB	
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3cccnc3)c2Cl)cc1	3335183	NCEKLZDXTCNZPC-SRZZPIQSSA-N	353.813	3.301	50	40	FGGB	
CC1=C(C#N)C(=O)N(Cc2ccccc2)C(=O)/C1=C\Nc1ccc(O)cc1C	6281139	RLUFCRZPAABQSX-UNOMPAQXSA-N	373.412	3.406	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2c(F)cccc2Cl)cc1OC	4515225	UFBQERRDAUNUKT-KEBDBYFISA-N	350.777	3.189	50	40	FGGB	
CN(NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)c1ccccc1	10126138	JUHWJPKDDWUDGG-UHFFFAOYSA-N	366.446	3.106	50	40	FGGB	
COc1cccc(OC)c1C(=O)NNc1nc2c(OC)cccc2s1	4121324	KGDRIGMRBPMXNT-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
O=C(NNC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1	807007	CQPDUAQRWBGUAS-UHFFFAOYSA-N	360.369	3.127	50	40	FGGB	
CCOC(=O)c1c(NC(=O)CCl)sc2c1CC(C)(C)NC2(C)C	3289272	WMOIQBLMYOUIEH-UHFFFAOYSA-N	358.891	3.262	50	40	FGGB	in-vitro
CCn1c(C)nc2cc(C(=O)NNC(=O)Nc3cccc(Cl)c3)ccc21	3207182	KYVMVBUGCWSOAY-UHFFFAOYSA-N	371.828	3.485	50	40	FGGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)cc1	9013723	WTWAJSYEEKGNOI-AWEZNQCLSA-N	367.430	3.299	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	4705003	RAIGBIPQWKVDDP-AWNIVKPZSA-N	351.318	3.178	50	40	FGGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)[C@@H]1COc3ccccc3O1)CCC2	5785932	RHFVEDZZOVSLTO-RWVGPTSPSA-N	350.418	3.300	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)C(=O)NCc1cccnc1	26966256	GFLDPOBPJXOXOF-XNTDXEJSSA-N	374.356	3.473	50	40	FGGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)NC[C@@H]1CCCO1	853955	ASZPJOZPAOCWKK-ACSPXDACSA-N	362.429	3.468	50	40	FGGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@@H](Br)[C@@H](Br)C2)O1	5376918	XVHYWNFCTTTZAH-MQIGXGKASA-N	362.489	3.294	50	40	FGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1cccnc1	100922348	SYCRSBYCFHXSTO-FOKLQQMPSA-N	364.327	3.235	50	40	FGGB	
COc1ccc2c(c1)/C(=N\NC(=O)c1ccc(Cl)cc1Cl)C(=O)N2	59472607	SOIYNGRVNMUVTI-UHFFFAOYSA-N	364.188	3.088	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c(OCC)c1	408568006	RJIAEOACWWOCRG-UNOMPAQXSA-N	357.366	3.156	50	40	FGGB	
COc1cc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)ccc1O	408721339	PHBOSVZJDGNJKQ-NTEUORMPSA-N	357.373	3.105	50	40	FGGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)c3ccco3)cc12	8355282	TXKHQTJWRPPGIQ-UHFFFAOYSA-N	366.402	3.063	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1	408801755	VPGYDWLKWDYWOE-KPYTVTDISA-N	370.449	3.230	50	40	FGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1	409053140	LFGJBLQWMYDUIQ-SRZZPIQSSA-N	374.824	3.354	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	5616315	URJWVJPGIRAFDG-XSFVSMFZSA-N	352.394	3.349	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OCC)c1	658795	LMBSACZNTNQBMF-SFHVURJKSA-N	354.406	3.299	50	40	FGGB	
COc1ccccc1[C@@](O)(C(=O)NNc1cccc(C)c1)c1cccs1	1087506	XSEOCSFNRYDDSC-FQEVSTJZSA-N	368.458	3.444	50	40	FGGB	
O=C(N/N=C/c1cc(Br)c(O)c2ncccc12)c1ccccc1	59459133	AGJNQAVUIWDQML-KEBDBYFISA-N	370.206	3.467	50	40	FGGB	
Cn1cccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	57405816	ZTTRPISVENRONA-KAMYIIQDSA-N	370.840	3.061	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)cc1OCC	4739474	KWCHIJNDGJZMCN-LPYMAVHISA-N	355.438	3.355	50	40	FGGB	
Cc1c(/C=C(\C#N)C(N)=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	408920941	LYTWCMFNMJIPBY-XNTDXEJSSA-N	360.373	3.299	50	40	FGGB	
CCN(C(C)=O)c1nc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cs1	44028661	DBFHCCZFGODWDK-MLPAPPSSSA-N	369.402	3.034	50	40	FGGB	
O=C(CO)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	5750194	XRZPJNGVJPBCPS-UFWORHAWSA-N	353.205	3.015	50	40	FGGB	
O=C(NCc1ccccn1)C(=O)NN=C1CCCCCCCCCCC1	4797583	BTLKPAVGSVUETA-UHFFFAOYSA-N	358.486	3.475	50	40	FGGB	
CN(NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccccc1	12522833	QMEOUSMCGGVUEZ-UHFFFAOYSA-N	357.413	3.322	50	40	FGGB	
O=C(N/N=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1cccnc1	409063798	NJFZLJKIKKRUTK-GZIVZEMBSA-N	371.759	3.220	50	40	FGGB	
O=C(CC(=O)Nc1cccc(Cl)c1)N/N=C\c1ccc(Cl)cc1	32923271	BDEYETPJUQXOKV-GRSHGNNSSA-N	350.205	3.472	50	40	FGGB	
COc1ccccc1[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccc(F)cc3)c21	8972426	NZUOZSZALAMBAV-MRXNPFEDSA-N	362.364	3.443	50	40	FGGB	
Cc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1	932972	JPRYWWXKYCODFJ-UHFFFAOYSA-N	369.446	3.306	50	40	FGGB	
O=C(NNC(=O)[C@H]1CC=CCC1)c1cc(-c2ccncc2)nc2ccccc12	12545943	RNIIEGUZUVZWAK-INIZCTEOSA-N	372.428	3.414	50	40	FGGB	
O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444653	DTDPAYMIORDEPS-HZHRSRAPSA-N	373.412	3.354	50	40	FGGB	
CC(=O)N/C(C#N)=C(/Sc1ccccc1)S(=O)(=O)c1ccccc1	27027067	OQRMLUHQUBRWGK-MSUUIHNZSA-N	358.444	3.081	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)N/N=C(\C)c3ccc(OC)cc3O)ccc21	13119060	CZAWCWQSNHGUEK-WSDLNYQXSA-N	366.421	3.233	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(SC#N)c1O	409044896	FCEWSCJBKWJSPO-SDQBBNPISA-N	367.386	3.225	50	40	FGGB	
CCn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCCO3)c2ccccc21	6831671	DGLUDKOMYYIDFH-LPYMAVHISA-N	363.417	3.125	50	40	FGGB	
O=C(O)Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21	408848421	YTIBJOVBBWHQLR-FBHDLOMBSA-N	361.357	3.236	50	40	FGGB	
CCOC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1C	408795051	KXNKZFGNTRIIPX-SFQUDFHCSA-N	364.401	3.483	50	40	FGGB	
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1/C=N\NC(N)=O	33504416	KMLYCLDXYGKFPH-NHDPSOOVSA-N	353.357	3.114	50	40	FGGB	
O=S(=O)(c1ccccc1)[C@H]1CCCC[C@H]1I	1679968	WEYYJMSZTHFYRV-NEPJUHHUSA-N	350.221	3.207	50	40	FGGB	
CC(C)N(C(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1)C(C)C	6306967	JJZINWZPNWBASJ-INIZCTEOSA-N	371.506	3.404	50	40	FGGB	
CCCS(=O)(=O)[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	55219879	GQZVZRJFGHSUQN-ZETCQYMHSA-N	373.689	3.303	50	40	FGGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc21	8812178	NFNPLYHYZSKJIE-SSDVNMTOSA-N	367.380	3.107	50	40	FGGB	
O=C(N/N=C/c1cccs1)c1cccc(I)c1	59447372	IMZQMEHPVPOKHF-RIYZIHGNSA-N	356.188	3.117	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC#N)cc3)cc2c1	409186496	CUXJLKOPKUJSFN-XKZIYDEJSA-N	363.373	3.498	50	40	FGGB	
O=C(N/N=C/c1cccc(Cl)c1)[C@@H](O)c1ccc(Br)cc1	3087935	WMHHNCFHWYWVDZ-RMNBPEERSA-N	367.630	3.286	50	40	FGGB	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)C(c1ccccc1)c1ccccc1	722450	LSQBIDMCWBHEPK-QGZVFWFLSA-N	374.440	3.433	50	40	FGGB	
OC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	34434647	ITASBCIXGRCUAD-GSVOUGTGSA-N	354.003	3.005	50	40	FGGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)CC(=O)NC(C)C)c2C)c1	58913901	GEPURJXRCUAXLW-UUYOSTAYSA-N	368.481	3.076	50	40	FGGB	
CCN(CC)c1ccc(C(=O)NNC(=O)c2c(F)cccc2Cl)cc1	12605964	TZFUJHNGUMLASO-UHFFFAOYSA-N	363.820	3.400	50	40	FGGB	
N#C/C(C(=O)C1CCCCC1)=C1/NC(=O)[C@H](Cc2ccc(F)cc2)S1	13688152	XBVVANSOOWVWIL-DAMBIUFKSA-N	358.438	3.484	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)O[C@H]3[C@H]2C(C)=NN3c2ccccc2)cc1	35982101	YAZVEATZEAEAHG-ZVDOUQERSA-N	360.417	3.341	50	40	FGGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1cccc([N+](=O)[O-])c1	13646138	APUHXTKZNUZFPX-MOSHPQCFSA-N	363.377	3.447	50	40	FGGB	
C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O	7928837	AJJJZUCLEOIAKP-ZFWWWQNUSA-N	354.362	3.110	50	40	FGGB	
C=CCc1cc(/C=N/NC(=O)c2ccccc2OC)cc(OCC)c1O	59250233	AHKQKLFMKZTQFK-FYJGNVAPSA-N	354.406	3.292	50	40	FGGB	
O=C(N/N=C/c1ccco1)/C(=C/c1ccccc1)NC(=O)c1ccccc1	4199288	MEMQNFVKMHKUNQ-ZXKVDMDYSA-N	359.385	3.201	50	40	FGGB	
O=C(CCN1CCCC1)NNC(=O)N(c1ccccc1)c1ccccc1	18191661	ACDZOMUPSPOUJY-UHFFFAOYSA-N	352.438	3.051	50	40	FGGB	
Cc1ccn2c(C(=O)N/N=C\c3cccc(Br)c3)c(C)nc2c1	409335431	WVNOMXGHCHOAQF-GRSHGNNSSA-N	371.238	3.478	50	40	FGGB	
Cc1ccc(COc2ccc(/C=C/C(=O)NN)cc2Br)cc1	226333231	JQWNFSZRAMSTGH-VQHVLOKHSA-N	361.239	3.340	50	40	FGGB	
CC(=O)N1CCc2c(sc(NC(=O)[C@@H](Cl)c3ccccc3)c2C#N)C1	74941579	DIUPXPBWIHSLHU-INIZCTEOSA-N	373.865	3.443	50	40	FGGB	
CC(C)COc1ccc(/C=N/NC(=O)[C@@H]2COc3ccccc3O2)cc1	59472935	GWCYHCZPOGLWSG-QVQQHXNLSA-N	354.406	3.012	50	40	FGGB	
Cc1ccc(S[C@H](C)C(=O)NNC(=O)Cc2c[nH]c3ccccc23)cc1	12851132	NKBZFACHRCITBJ-CQSZACIVSA-N	367.474	3.347	50	40	FGGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cc(C)n[nH]3)cc2)cc1	8026370	QLGCVXTYJHNUMV-CIAFOILYSA-N	362.389	3.010	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(OC)c1OC	16901421	GPPHPGSINVQUEE-JYRVWZFOSA-N	356.353	3.397	50	40	FGGB	
C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2nc3ccccc3n2C(N)=C1C#N	20086189	IPRJRBKTYBATJO-BUXKBTBVSA-N	373.416	3.089	50	40	FGGB	
COc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	408718290	QUSQFTZNGQFWCQ-IZZDOVSWSA-N	365.305	3.452	50	40	FGGB	
Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1ccc([N+](=O)[O-])cc1	33361386	BFFAWVVBGIEVIN-NDENLUEZSA-N	363.377	3.161	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2cn(CC#N)c3ccccc23)cc1C	409369549	CTZXHGJMYOOTOE-WYMPLXKRSA-N	359.433	3.344	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)n2cc(C(=O)NN)c3ccccc32)c1	218739923	VQNIMZBKFVHISQ-UHFFFAOYSA-N	365.433	3.396	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccccc2Br)c1	1084767	MUABMNZTYNMOOC-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
O=C(N/N=C\c1ccccc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	5664973	BFXGEYKRLFSFMT-NKVSQWTQSA-N	369.730	3.448	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1cccc(Cl)c1	5749791	ZWCRQSHYTJKLBT-UHFFFAOYSA-N	373.623	3.487	50	40	FGGB	
CO[C@@]1(c2ccccc2)C[C@H]1C(=O)N/N=C/c1ccccc1Br	4402326	IRWBNKOBJVFTEL-UDBLOYCBSA-N	373.250	3.461	50	40	FGGB	
O=C(CN1CCCc2ccccc21)N/N=C1/C(O)=Nc2ccc(Cl)cc21	40161323	ZPNPGOFPFHPBLC-UHFFFAOYSA-N	368.824	3.215	50	40	FGGB	
O=C(N/N=C/C=C/c1ccc(Br)cc1)[C@@H](O)c1ccccc1	2194192	VVLQLFGYGKEKOB-LXLBVXJQSA-N	359.223	3.298	50	40	FGGB	
CCCOc1ccc(C(=O)N/N=C/c2coc3ccccc3c2=O)cc1	2750209	UQCGHXUPQFCDGN-CIAFOILYSA-N	350.374	3.346	50	40	FGGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3cccc(N)c3)n[nH]2)cc1	9009840	USAIHDAUTAHOJM-LPYMAVHISA-N	363.421	3.212	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCCO3)cc1	6313580	JLSOAQFTEAGXOA-LPYMAVHISA-N	368.433	3.284	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc3c(c2)CCCC3)ccc1O	4544350	IKTQPZMTXSSZGZ-LPYMAVHISA-N	368.433	3.199	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)c(OC)c1	4953731	UUFSUXIILRWDQA-UKTHLTGXSA-N	353.334	3.158	50	40	FGGB	
CC1(CC(=O)N/N=C/c2ccc(Br)cc2)SCCS1	38534946	MVVZLVKYPKPSBP-OQLLNIDSSA-N	359.314	3.486	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)cc1	36559366	VWNKLHLXYYWRML-UKTHLTGXSA-N	353.334	3.245	50	40	FGGB	
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1nc2ccccc2[nH]1	95101421	QYPYMNJXDLGLRD-AWQFTUOYSA-N	373.210	3.185	50	40	FGGB	in-vitro
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)C(=O)NC2CC2)cs1	23215335	YQKRRJNSSXHSEM-UKTHLTGXSA-N	352.419	3.013	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)cc1C	1096444	NWLFMVGBYSIFEI-LPYMAVHISA-N	369.465	3.314	50	40	FGGB	
C[N+](C)(CC(=O)c1ccccc1)C[C@@H](Br)CBr	4714759	SRVZSPUBPBPNGZ-LBPRGKRZSA-N	364.101	3.104	50	40	FGGB	
O=C(NNC(=O)c1cc2c(s1)CCCCC2)c1cc(-c2ccco2)[nH]n1	28434712	KNECSFHQXHFZNB-UHFFFAOYSA-N	370.434	3.075	50	40	FGGB	
CC(=O)Nc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1	59333772	BTBXDONXHPZKQV-BOPFTXTBSA-N	350.422	3.048	50	40	FGGB	
Cc1nc(CSc2ccc(C(=O)NNC(=O)c3ccco3)cc2)cs1	15554724	WKDXUFCGAYPCPW-UHFFFAOYSA-N	373.459	3.412	50	40	FGGB	
O=C(CCl)N(C[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1	79392753	ZAEGIHQDQVPVOT-INIZCTEOSA-N	350.846	3.017	50	40	FGGB	
C[C@H](CC(=O)c1ccco1)NS(=O)(=O)c1ccc(CCCCl)cc1	89894741	VIEPGGQYFUMJGJ-CYBMUJFWSA-N	369.870	3.391	50	40	FGGB	
CCOC(=O)Cn1c(C)c(/C=N/NC(=O)c2cccs2)c2ccccc21	14134804	KJIMZTBDGWBCLL-RGVLZGJSSA-N	369.446	3.338	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)cc1O	100175427	IHVAGGMSWGNIES-VZWHUWGPSA-N	367.243	3.137	50	40	FGGB	
Cc1sc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1[N+](=O)[O-]	1085474	BLMQHKJGVOIANV-FRKPEAEDSA-N	353.787	3.147	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSc2cccc3cccnc23)cc1	3101229	WQMUOOCEGFTEOA-CIAFOILYSA-N	351.431	3.486	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@@H]2CSCC=C12	1061489	MWSQBNLQCJIDNT-GDBMZVCRSA-N	352.850	3.497	50	40	FGGB	
CC(C)(C)c1cc(C(=O)NNC(=O)CSc2ccc(Cl)cc2)no1	72297063	XVEHGXZLFMMHIM-UHFFFAOYSA-N	367.858	3.179	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCC#N	3570409	MBHNYORCLPHVES-BQVPINLBSA-N	353.422	3.199	50	40	FGGB	
O=C(N/N=C/c1cccc(OCCOc2ccccc2)c1)c1ccncc1	4182138	ZKRHRXODTCGBTK-XQNSMLJCSA-N	361.401	3.303	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1	97990560	QXUZXHJTAPEUCL-NSIKDUERSA-N	365.345	3.486	50	40	FGGB	
COc1ccc2ccc(OC)c(/C=N/NC(=O)c3ccc(O)cc3)c2c1	409015133	APDBQTTWGVOVDL-CIAFOILYSA-N	350.374	3.327	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1	13923174	LHKCUAXTNSEKBZ-REZTVBANSA-N	356.234	3.452	50	40	FGGB	
CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)c1ccc(OC)cc1	4405473	FDPLHZYNYNQBSU-HYARGMPZSA-N	353.422	3.392	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1cccs1	20662090	QRCBYCNORNSTEN-UHFFFAOYSA-N	370.825	3.287	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(CC)cc1	8733150	LRBRHASGUAFYMW-CQSZACIVSA-N	355.276	3.257	50	40	FGGB	
C/C(CC(=O)Nc1ccc(Br)cc1)=N\NC(=O)c1ccco1	100530302	WEWCKFBPGMCAFG-VCHYOVAHSA-N	364.199	3.177	50	40	FGGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1cccc(Cl)c1	4091311	RLNCRJICVRGSTA-SRZZPIQSSA-N	374.872	3.112	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cc(Br)c(C)o2)cc1OC	6184470	QRLNPUMWSHDBIN-CAOOACKPSA-N	367.199	3.132	50	40	FGGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	409001508	WIQVVUFGGLHEFI-KZKLBEMASA-N	372.450	3.292	50	40	FGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408799190	GWWDUBVKOLRVAE-KAQJVSAMSA-N	362.227	3.173	50	40	FGGB	
CC(C)NC(=O)COc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1	83261721	NOGPCSYFCGOXSS-NHDPSOOVSA-N	373.840	3.007	50	40	FGGB	
COc1cc(Cl)cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1O	12859549	QHPFVMUAAINTAB-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
CCc1ccc2c(c1)/C(=N\NC(=O)c1ccc(Br)cc1)C(=O)N2	15228377	DNLHDNZDTICRKZ-UHFFFAOYSA-N	372.222	3.098	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)ccc1OC	8182830	BIABHZOCFMKSEW-CIAFOILYSA-N	356.422	3.240	50	40	FGGB	
O=C(CCCCCC(=O)N/N=C1\C[C@H]2CC=C[C@H]12)N/N=C1\C[C@H]2CC=C[C@@H]12	12363008	SXKAAWNQVZBUID-DUKKBZHNSA-N	368.481	3.073	50	40	FGGB	
O=C(NNC(=O)c1cccs1)c1ccc(NC(=O)C2CCCCC2)cc1	674503	SFZNWSLREZKBIE-UHFFFAOYSA-N	371.462	3.342	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1OC	8558466	STEXUBVDKKYVCK-CIAFOILYSA-N	369.421	3.062	50	40	FGGB	
Cc1cc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)ccc1F	8733242	HMULALSCJNUKPU-AWEZNQCLSA-N	373.266	3.389	50	40	FGGB	
COc1cc(/C=N/NC(=O)Cc2csc(C)n2)ccc1OCC(C)C	3416173	JXWQKJSLZZCVLJ-DJKKODMXSA-N	361.467	3.188	50	40	FGGB	
O=C(NNC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1	409224798	MABBQBKEFUJZPU-UHFFFAOYSA-N	359.385	3.014	50	40	FGGB	
C#CCOc1cccc(/C=N/NC(=O)c2ccccc2Br)c1	20760408	OMUDOXOPIOCAEB-XDHOZWIPSA-N	357.207	3.225	50	40	FGGB	
COc1cc(/C=N\NC(=O)Nc2cccc(C)c2)ccc1O[C@@H](C)C(=O)O	409012650	KXZSJWQYFNEVHI-GHOUAXAESA-N	371.393	3.011	50	40	FGGB	
COC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)c1	408864853	AONUBJZONDTGSS-MTJSOVHGSA-N	364.357	3.203	50	40	FGGB	
CCN(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)CCl	79392682	COVYULFGTRUSGW-INIZCTEOSA-N	352.862	3.265	50	40	FGGB	
COc1cc(C(=O)NNc2nc3c(C)cccc3s2)cc(OC)c1OC	4121295	HLCUBSPMGAXNMC-UHFFFAOYSA-N	373.434	3.387	50	40	FGGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccncc2)nc2ccccc21	4904610	TVRMTCUASKFOPB-BKUYFWCQSA-N	353.451	3.084	50	40	FGGB	
C[C@@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	6455005	HRMOVGKADLHMSC-ZBFHGGJFSA-N	369.490	3.159	50	40	FGGB	
C#CCOc1cccc(/C=N\NC(=O)c2ccc(OCCC)c(OC)c2)c1	409319392	FKGVVFMSHFDYCY-JCMHNJIXSA-N	366.417	3.260	50	40	FGGB	
C=CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC	4570947	ZVGUGANNWUZILY-LJQANCHMSA-N	366.417	3.465	50	40	FGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/C=C/c1ccc2c(c1)OCO2	4599895	RJLCWZCGDUBDDN-XREZVLSMSA-N	352.390	3.226	50	40	FGGB	
CCOC(=O)c1sc(NC(=O)/C(C#N)=C\c2ccc(OC)cc2)nc1C	4866794	BPTSUIXPQPHSOA-LCYFTJDESA-N	371.418	3.183	50	40	FGGB	
COc1cc(C)c(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc1OC	408675937	CQUWOKDQNFXRRN-HYARGMPZSA-N	367.449	3.376	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc([N+](=O)[O-])c1O	35388827	PKLNQPBOLPAAEB-NTUHNPAUSA-N	353.334	3.163	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)ccc1OCC(C)C	6209763	CJWXSATVTHIJJY-WAFWZSCLSA-N	372.465	3.322	50	40	FGGB	
COc1ccc(C(=O)NNc2nc3c(OC)ccc(OC)c3s2)cc1	4121475	ONULEZFXGQGVGZ-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
O=C(N/N=C/c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	408972345	AVIRBGRRBSEMRU-ZVBGSRNCSA-N	369.730	3.448	50	40	FGGB	
C#CCOc1ccc(OC)cc1/C=N\NC(=O)Cc1cc(C)ccc1C	409366861	ZOKOIVCQGUAJQK-HMAPJEAMSA-N	350.418	3.017	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C\c2ccc(OCC(C)C)cc2)cc1	33445815	TZKYVPSPFDCUHH-MTJSOVHGSA-N	353.422	3.444	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc(C)c1O	105162608	FYHHBNGWDBKRHZ-DJKKODMXSA-N	353.334	3.427	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1O	59515257	RDKBAEXHTKMXJD-CIAFOILYSA-N	369.421	3.149	50	40	FGGB	
N#CC1=C2SC[C@@](O)(c3ccco3)N2C(=O)C[C@H]1c1ccc(F)cc1	12275307	XREZZXCKUMNOGZ-SCLBCKFNSA-N	356.378	3.062	50	40	FGGB	
Cc1ccc(SCC(=O)NNC(=O)CCC(=O)c2ccc(F)cc2)cc1	7653203	YLYKOXNJSZUPFB-UHFFFAOYSA-N	374.437	3.037	50	40	FGGB	
COc1cccc(C(=O)Nc2ccccc2C(=O)N/N=C/c2ccco2)c1	5661994	VIZKOJVUMAWLNB-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
O=C(NNC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1ccccc1	6923289	TXZSJBTWMHUAEX-UHFFFAOYSA-N	368.396	3.372	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)COc2ccc(C)cc2C)ccc1OC	30843639	RNOXKWGSMPBELH-MTJSOVHGSA-N	356.422	3.240	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\NC(=O)c2ccccn2)o1	12445997	NGMLIXAMUAQNTD-JAIQZWGSSA-N	350.334	3.322	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)Cc2ccc(Cl)cc2)cc1[N+](=O)[O-]	12406592	DZPZKXQKSVSVRF-YBFXNURJSA-N	361.785	3.340	50	40	FGGB	
COc1ccc(OC)c2sc(NNC(=O)c3c(F)cccc3F)nc12	4121482	BLRVFVBCCJOQHX-UHFFFAOYSA-N	365.361	3.349	50	40	FGGB	
O=NN(CCCl)C(=O)Nc1cc(O)nc(SCc2ccccc2)n1	8652730	SNLSQAQINUHRPP-UHFFFAOYSA-N	367.818	3.229	50	40	FGGB	
O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c1	4740725	LTVRHJXFPMEQHM-UFFVCSGVSA-N	369.764	3.457	50	40	FGGB	
CC(C)Oc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3O)[nH]n2)cc1	8837153	ORMZOUGMNRXRAS-CIAFOILYSA-N	364.405	3.333	50	40	FGGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)c3cccc(O)c3)c2c1	409019191	YIRFROBDVWZDAR-MTJSOVHGSA-N	350.374	3.327	50	40	FGGB	
O=C(CCc1ccc(O)cc1)N/N=C\c1cc(Cl)cc(Cl)c1O	71782878	OCBCUXQSEPNPKI-OCKHKDLRSA-N	353.205	3.488	50	40	FGGB	
O=C(NC[C@@H]1CCCO1)C(=O)NN=C1CCCCCCCCCCC1	5480344	VBRZNCPGUUDLEW-KRWDZBQOSA-N	351.491	3.059	50	40	FGGB	
Cn1c(CC(=O)N/N=C2/CCSc3ccc(F)cc32)nc2ccccc21	33503919	ZOSXOKNEVXOYOX-HMAPJEAMSA-N	368.437	3.271	50	40	FGGB	
Cc1cc(CSCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc(C)c1O	1424038	XZYNIYGSSUDFDH-SRZZPIQSSA-N	371.506	3.459	50	40	FGGB	
COc1ccc(CNC(=O)C/C(C)=N/NC(=O)c2cccc(Cl)c2)cc1	100522584	NWHMBUVDXKLURE-LPYMAVHISA-N	373.840	3.161	50	40	FGGB	
Cc1ccc(CNC(=O)C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1	59488459	HBMFNIBRQKWQTJ-OEAKJJBVSA-N	351.450	3.059	50	40	FGGB	
O=C(NNC(=O)C1CCCC1)c1ccccc1OCc1ccc(F)cc1	5937784	HSYLOSFTNSKCBU-UHFFFAOYSA-N	356.397	3.356	50	40	FGGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)NC(C)C)o2)c1C	408771052	FAKJPCIJZSPURX-UVTDQMKNSA-N	352.390	3.473	50	40	FGGB	
N#C/C(=C\c1cccc(OCC(=O)O)c1)C(=O)Nc1ccc(Cl)cc1	408924547	MWNWEKDXFQFKPN-MDWZMJQESA-N	356.765	3.349	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(Cl)cc3)CC2=O)cc1	35153205	KMYJYRIYKMRULU-SYZMQFJCSA-N	355.825	3.152	50	40	FGGB	
Cn1cccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1N1CCOCC1	21312129	ZTTRPISVENRONA-SDNWHVSQSA-N	370.840	3.061	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccco1)[C@@H](c1ccccc1)C(C#N)=C(N)O2	2236072	GDKBKVVZUVDGMW-SFHVURJKSA-N	359.385	3.016	50	40	FGGB	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N/N=C/c1cccc2cccnc12	2323376	HXEQCFJCNGNYNK-QLPFJNHISA-N	368.437	3.084	50	40	FGGB	
Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C	4739265	NYDNKOHNJZNEEN-SRZZPIQSSA-N	365.389	3.458	50	40	FGGB	
C[C@H](Oc1ccc(F)cc1)C(=O)NNC(=O)/C=C/c1cccc(Cl)c1	8239573	FAPYLPLRHRCXNO-DJTWPOEFSA-N	362.788	3.107	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@H](c2ccccc2)C2=C1CC(C)(C)CC2=O	409132564	KDIXFEOWJUQICX-SFHVURJKSA-N	351.450	3.069	50	40	FGGB	
COc1ccc(Cl)cc1/C=N\NC(=O)COc1cccc2cccnc12	409023497	FNUVIPSMTPEVNA-JJFYIABZSA-N	369.808	3.426	50	40	FGGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C(=O)O)cc1	408851391	YQQJWHPVFDGZJB-HNDQUVLASA-N	350.374	3.393	50	40	FGGB	
COc1cc(OC)c(/C=N\NC(=O)c2cc3ccccc3o2)c(OC)c1	17150227	ZTRVHLGSDNWIQZ-JAIQZWGSSA-N	354.362	3.223	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCC#N	7157237	FDACZARURXRFRL-GYZOOYGHSA-N	361.401	3.382	50	40	FGGB	
N[P@@](=O)(OCCC(=O)c1ccccc1)N(CCCl)CCCl	1587240	ZSQIOJOQXJELQB-OAQYLSRUSA-N	353.186	3.122	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)cc1OC	3106914	AOYVLFREWGLTOI-KEBDBYFISA-N	362.813	3.195	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1	1497125	FTWNRIGXJUHHRY-XSFVSMFZSA-N	354.410	3.134	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)ccc1O	101025264	MBCOXVJKGCZOHJ-KZGGJNJNSA-N	351.244	3.431	50	40	FGGB	
CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/NC(N)=O)cc1	4510988	SHJDNGNMKPRRFV-HYARGMPZSA-N	355.438	3.444	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)Nc1ccccc1Cl)c1ccccc1O	4525800	VPHYQUAOKKEYBF-CIAFOILYSA-N	359.813	3.305	50	40	FGGB	
N#CC1=C(N)OC2=C([C@H]1c1c(Cl)cccc1Cl)S(=O)(=O)CCC2	606422344	SYDQAZDJVJUHMT-GFCCVEGCSA-N	371.245	3.221	50	40	FGGB	
Cc1ccc(NNC(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1Cl	47528267	MVBZGPRNJDZELQ-ZIAGYGMSSA-N	374.872	3.414	50	40	FGGB	
NNC(=O)/C=C/c1ccc(OCc2ccccc2F)c(Br)c1	226333253	AGFMQWKPMLYPBE-SOFGYWHQSA-N	365.202	3.170	50	40	FGGB	
O=C(NN=C1c2ccccc2-c2ccccc21)[C@@H]1COc2ccccc2O1	3213236	VADJZCLAGVOYPE-FQEVSTJZSA-N	356.381	3.376	50	40	FGGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccncc1	3318769	KHILOKSBCYYWCB-ODCIPOBUSA-N	357.263	3.048	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	408794395	SENCEMQEJTUQIE-SFQUDFHCSA-N	363.417	3.136	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1OC	6209968	JJDDSPMRGIVFTC-XNTDXEJSSA-N	366.373	3.338	50	40	FGGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1O	409361145	GTKJZTOVKIWZCB-ACAGNQJTSA-N	354.318	3.492	50	40	FGGB	
CC(C)C(=O)N/N=C\c1ccc(OCC(=O)N[C@@H](C)c2ccccc2)cc1	58883305	AFGJJKGEWYUPMQ-GLFIFPSUSA-N	367.449	3.049	50	40	FGGB	
Cc1cc(N2CCCC2)c(F)cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1	107879050	FWDTVCMTWOVQLI-CIAFOILYSA-N	370.384	3.406	50	40	FGGB	
CCn1c(NNC(=O)C23CC4CC(CC(C4)C2)C3)nc2ccccc2c1=O	11156478	MBKHAZHWQIIKQA-UHFFFAOYSA-N	366.465	3.076	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1	59678432	GRWAIAZVEOWVSP-OJNRTJSBSA-N	366.373	3.093	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1	5128054	LTCRSCOHWDITKS-IAZYXVSWSA-N	370.449	3.086	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@@H](C)Sc1ccccc1	20248061	IXADOXUPTGRSCY-MBNTZHJCSA-N	359.407	3.234	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2nn(-c3ccccc3)c3c2CCC3)c(C)c1	14249060	KGKPQFDABFLMKM-UHFFFAOYSA-N	374.444	3.053	50	40	FGGB	
CCOC(=O)[C@@H](Br)C(=O)c1ccc(OC(F)(F)F)cc1	16158313	QEGXHSMWWKDYHD-VIFPVBQESA-N	355.106	3.095	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccccc1O	1098573	YGUCOXZSJWKVMV-KEBDBYFISA-N	369.308	3.463	50	40	FGGB	
C/C(=N/NC(=O)c1nc2nc(C)cc(C)n2n1)c1ccc2ccccc2c1	4756329	COHHVXVRNNBNOM-UCQKPKSFSA-N	358.405	3.048	50	40	FGGB	
C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@H](c2ccco2)CC(=O)N1	409134678	XCCWHZNNOURVFS-HZSPNIEDSA-N	373.478	3.141	50	40	FGGB	
CC/C(=N/NC(=O)CCC(=O)Nc1ccccc1OC)c1ccccc1	4646808	VIMMQUVEANYKEL-JWGURIENSA-N	353.422	3.344	50	40	FGGB	
CCOC(=O)COc1ccc2ccccc2c1/C=C(\C#N)C(=O)OCC	408922431	DYRBBEDKLSXQNS-RVDMUPIBSA-N	353.374	3.252	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)Cc2cc(C)ccc2C)cc([N+](=O)[O-])c1O	409365265	QLDZYLTZJXHFDE-JAIQZWGSSA-N	371.393	3.009	50	40	FGGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccn1-c1cccc(C(=O)O)c1	409244699	HLDFWEJYZKFOPU-XKZIYDEJSA-N	365.364	3.007	50	40	FGGB	
COc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1O	408751897	DOKIWJUBIQFOTO-UFFVCSGVSA-N	352.312	3.112	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)cc1	225368430	VIOXRRXRSNXRQD-NHDPSOOVSA-N	354.406	3.257	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1)[C@H]1Oc2ccccc2O[C@H]1c1ccccc1	95532849	QJWJOGIDEDKLIN-LQAUXRIUSA-N	374.396	3.424	50	40	FGGB	
O=C(NNC(=O)c1ccccc1C(=O)O)c1ccc(-c2ccccc2)cc1	725344	PIJKUVLOYCPOQJ-UHFFFAOYSA-N	360.369	3.127	50	40	FGGB	
CCCc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1	817946	NRBRIKBZMXVYTA-UHFFFAOYSA-N	352.390	3.225	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1	920738	DDDCKKXMUYRSEW-LPYMAVHISA-N	362.385	3.156	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSCc2ccc(C)cc2)c1OC	59473804	QWHLMMRIMGRFNL-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(OC[C@H]2CCCO2)cc1	58314049	UACQHNHRTICOCI-CYBMUJFWSA-N	366.339	3.419	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	408782363	HWIRHWFPKKPUGZ-VCHYOVAHSA-N	361.195	3.138	50	40	FGGB	
O=C(O)c1ccc(-n2cccc2/C=N/NC(=O)c2ccc(F)cc2)cc1	408933452	JSBFLZIVPAZOQT-CIAFOILYSA-N	351.337	3.079	50	40	FGGB	
Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C	408994813	JNFLMCSHEBMDMK-SRZZPIQSSA-N	365.389	3.458	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC[C@H](CI)C1	79436634	HARLMRPBBKQASG-CYBMUJFWSA-N	359.207	3.470	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1OC	1424871	JWEWTKOSJZFEFO-PVGUKEHMSA-N	358.463	3.476	50	40	FGGB	
CCn1c(C)cc2c(c1=O)[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2339190	HDILRCYPGYWPKU-AWEZNQCLSA-N	359.788	3.187	50	40	FGGB	
CCCCOc1ccc(OCC(=O)NNC(=O)c2ccc(C)cc2)cc1	5466293	DQDQWLXZXKHJLI-UHFFFAOYSA-N	356.422	3.014	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2)N2C(=N1)SC(C#N)=C2N	408608959	XVOSRJXLUNCTOY-OAHLLOKOSA-N	354.435	3.023	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC[C@@H](CI)C1	79436638	HARLMRPBBKQASG-ZDUSSCGKSA-N	359.207	3.470	50	40	FGGB	
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)Oc3ccc(O)cc32)c1	1106676	GWHAZQPSPQOODT-IBGZPJMESA-N	352.390	3.408	50	40	FGGB	
CCc1ccc(Nc2nnc(SCC(=O)/C(C#N)=C(/C)N)s2)cc1	104873474	BQUVGPUBXGDPHT-RAXLEYEMSA-N	359.480	3.262	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1	7929388	DTBMRPFVOFVEQG-NSHDSACASA-N	360.753	3.207	50	40	FGGB	
CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)NC2CCCCC2)cc1	20244080	SJQAJVYMVSKXAK-FYJGNVAPSA-N	359.470	3.011	50	40	FGGB	
C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	409145503	QNWIQBFMBAJETH-IBGZPJMESA-N	350.374	3.184	50	40	FGGB	
C=C/C=N/NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	408736849	JDKLKQWQNRLBSQ-VRMLFSPKSA-N	363.461	3.247	50	40	FGGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CNC(=O)c1cccc(Cl)c1	2215840	ZAFPUIVVJUOYOE-LSHDLFTRSA-N	368.824	3.010	50	40	FGGB	
COc1ccccc1C(=O)N/N=C(/C)c1ccc(NC(=O)C2CC2)cc1	695782	XCNMXJZABUANNY-XKZIYDEJSA-N	351.406	3.198	50	40	FGGB	
COc1ccc(C(=O)NNc2ncnc3sc4c(c23)CCCC4)cc1	976804	CKZKAPQYFBXKQU-UHFFFAOYSA-N	354.435	3.336	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(=O)OC)cc2)cc1	408790861	RQLLCHCDQDKJDY-SFQUDFHCSA-N	364.401	3.346	50	40	FGGB	
CCn1cc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1	685912	NRCKOLWIYQQNSU-CNHKJKLMSA-N	355.225	3.047	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2nc3ccccc3[nH]2)cc1	951822	RUURLXJVAUWZAA-DTQAZKPQSA-N	360.417	3.227	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)cc(Br)c1OC	8043663	FITQQEKKAPIRBV-RQZCQDPDSA-N	367.199	3.213	50	40	FGGB	
CC1(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)OCCCO1	59426567	QWULHBRNNBNKGJ-PXLXIMEGSA-N	368.433	3.259	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)C2(O)c3ccccc3-c3ccccc32)cc1	2299603	VLZQJBMQHZZCTR-BUVRLJJBSA-N	372.424	3.452	50	40	FGGB	
CCCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)cc1OCC	2768472	NDBMFVJVXVVUAJ-ABPVARSCSA-N	358.438	3.076	50	40	FGGB	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1	93546905	AILSUTNHGWKCCT-DNVCBOLYSA-N	352.825	3.344	50	40	FGGB	
Cc1ccc(C(=O)NNc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1	4355223	XYFSDWZEECGGMC-UHFFFAOYSA-N	372.432	3.498	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1	20247888	QSLNSXWVUVBRGV-YBFXNURJSA-N	373.434	3.377	50	40	FGGB	
Cc1cc(Br)cc(/C=N\NC(=O)c2ccc(F)cc2)c1O	4784539	DWHMLCVJGVCALF-LSCVHKIXSA-N	351.175	3.366	50	40	FGGB	
Cc1ccc(/C=N\NC(=O)[C@@H]2COc3cc4ccccc4cc3O2)s1	67197029	FERUNJBLWASCFJ-VNAJSCGASA-N	352.415	3.500	50	40	FGGB	
COc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)Nc1ccccc1	409244248	AALNOBWAIIYVLV-LGMDPLHJSA-N	363.417	3.077	50	40	FGGB	
CCO[C@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C\c1ccc(OC)c(OC)c1	32216632	TZVCISFOGADYKA-XTJTXNGDSA-N	368.433	3.106	50	40	FGGB	
COc1cccc(CC(=O)N/N=C\c2ccc(Br)s2)c1	408999904	SSOIYNNVQMZMDR-SXGWCWSVSA-N	353.241	3.212	50	40	FGGB	
C=CCSC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])[C@H](C(=O)OC)C(O)=N1	16976223	OBIQFQOKWJKEIW-KGLIPLIRSA-N	373.390	3.092	50	40	FGGB	
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	5336491	RJOQGDRMEKJIHA-FYJGNVAPSA-N	353.422	3.298	50	40	FGGB	
CCN(CC)CCOC(=O)c1ccc(N/C=C\C=C(C#N)\C=N/OC)cc1	104210944	BDVGRDASLCXXET-NIBDDJNHSA-N	370.453	3.193	50	40	FGGB	
CN(Cc1ccccc1C(F)(F)F)C(=O)NNC(=O)c1ccccc1	58356182	QKAGRNIQONCEAI-UHFFFAOYSA-N	351.328	3.192	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)C(C#N)=C(N)O3)c1	5218480	RFVLPOLZJQAQIN-MRXNPFEDSA-N	360.373	3.009	50	40	FGGB	
COc1ccc(/C(C)=N/OCC(=O)C(C#N)=C2Nc3ccccc3N2)cc1	13496555	MOADNPFCUWZSET-ZMOGYAJESA-N	362.389	3.278	50	40	FGGB	
CC[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(O)c(OC)c1	1001431	ULMQQYKIULVVRK-BBJIBYMTSA-N	361.829	3.395	50	40	FGGB	
C[C@@H]1CCc2sc(C(=O)NNC(=O)N(C)Cc3ccsc3)cc2C1	10029666	NTYLZKVIXXMRJD-LLVKDONJSA-N	363.508	3.421	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(C)c(Br)c2)cc1	6215387	PCSWIAFDLREUPN-YBFXNURJSA-N	361.239	3.459	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1O	408967874	SMAWWCFVRLIYEI-ZVBGSRNCSA-N	361.760	3.219	50	40	FGGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2ccc(N3CCCC3)o2)c1	408854530	HPBLYDMZWURAIX-BKUYFWCQSA-N	355.438	3.280	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C	408801813	BYGJYQHMOUKKFB-XDHOZWIPSA-N	351.450	3.381	50	40	FGGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc(Br)ccc1O	245226809	MBCOXVJKGCZOHJ-BFECMRKISA-N	351.244	3.431	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc(C)c1Cl	3032042	MVQIEHVRHNCOOQ-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
CC(=O)Oc1ccccc1/C=N/NC(=O)CNc1ccc2ccccc2c1	830508	FFPXICVASNTMKR-YDZHTSKRSA-N	361.401	3.327	50	40	FGGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1cccnc1	13426485	GHIPFFFKOHQYRU-OEAKJJBVSA-N	350.422	3.095	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccc([N+](=O)[O-])c1	5125963	IQCHITJNKBPDIZ-OAHLLOKOSA-N	359.345	3.203	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)NC(=O)C[C@H]1c1ccco1	9089303	AYWSGDIHENMCBK-CYBMUJFWSA-N	371.393	3.129	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12	104390043	UDHHPIQXHZRFOK-OWBHPGMISA-N	361.430	3.085	50	40	FGGB	
C/C(=N\NC(=O)c1cccc(I)c1)c1ccccc1	4587727	VQVOAYIAZXDHAP-GZTJUZNOSA-N	364.186	3.445	50	40	FGGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc2ccccc12	8733117	QMNGPYVGIGRTPF-CQSZACIVSA-N	363.255	3.458	50	40	FGGB	
O=C(N/N=c1/c(=O)c2cccc3cccc1c32)c1ccccc1-n1cccc1	6367765	XEYUBIAHTDKBHJ-DARPEHSRSA-N	365.392	3.265	50	40	FGGB	
CCOc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2cccs2)cc1	19810095	UBAUHGDMUHOVMI-HNNXBMFYSA-N	357.460	3.447	50	40	FGGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1	408849018	UBDZGHUPKYUPBW-RQZLXBNYSA-N	371.393	3.093	50	40	FGGB	
NNC(=O)CSc1nnc(SCc2cccc3ccccc23)s1	36724733	WMQQYXXTWQIFLZ-UHFFFAOYSA-N	362.505	3.066	50	40	FGGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NNC(=O)c2ccco2)c1	9157743	ZOIDNFISXJDSGR-UHFFFAOYSA-N	357.797	3.415	50	40	FGGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)C1=NN(c2ccccc2)[C@@H](N)[C@H]1C#N	408784349	QOYRXBHMJDOENP-BPLJGICASA-N	363.808	3.253	50	40	FGGB	
Cc1ccsc1/C=N\NC(=O)[C@@H]1COc2cc3ccccc3cc2O1	67197025	UAESCAQPOODHFP-NAGKPISUSA-N	352.415	3.500	50	40	FGGB	
CCn1c(=O)n(CC)c2cc(NC(=O)[C@H](Br)C(C)C)ccc21	408526561	BLXNBHISNGKXGT-CQSZACIVSA-N	368.275	3.201	50	40	FGGB	
O=C(Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)cc1)c1ccccc1	829893	MZDCLULGRGBLDL-KMUCBOENSA-N	374.396	3.090	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)CSCc2cc(C)cc(C)c2)cc1	59503561	BSNPUVJRGNVLSF-SRZZPIQSSA-N	370.474	3.474	50	40	FGGB	
CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)NNC(=O)c1ccccc1Cl	2279549	OZJJVRDQQRJLOG-RYUDHWBXSA-N	354.834	3.018	50	40	FGGB	
Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(C)c2)c1	4355152	GEMRWLVISNQXPU-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
O=C(COc1ccc(C2SCCS2)cc1)N/N=C/c1ccc(O)cc1	408568796	LCNJLPDHRGXJQX-YBFXNURJSA-N	374.487	3.400	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408794384	IYQKHVMZZAZGNU-GXDHUFHOSA-N	370.792	3.437	50	40	FGGB	
COC[C@@H](C)NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12	17474651	BQBCMKMMZHZGEG-YHZJOHHESA-N	360.417	3.059	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(C(F)(F)F)cc1	33731790	ZWJROOWGZGBGKZ-JMIUGGIZSA-N	351.284	3.306	50	40	FGGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1OC	1775964915	LKNSKPCQDPCYST-IBGZPJMESA-N	352.390	3.408	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1F	3178166	MULSCCRDLVBHMQ-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(SC)cc2)CC(=O)N1	6326374	RHQXCWVEIHVIDJ-ZDUSSCGKSA-N	362.476	3.043	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)cc1	59302059	SEWVIYBITBIILS-WZMONFQBSA-N	366.373	3.093	50	40	FGGB	
COc1cccc(OCCCOc2c(/C=N/NC(C)=O)cccc2OC)c1	4676635	ZVQZGNZECHCDAH-KGENOOAVSA-N	372.421	3.022	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccccc3C#N)o2)c(O)c1	409391389	JCKALNRVQSLJRX-WSDLNYQXSA-N	361.357	3.296	50	40	FGGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1O	408744994	OPMHVGVEOGZEAU-QPEQYQDCSA-N	353.334	3.163	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1	409204036	BYLJOPSACAJRRE-SSDVNMTOSA-N	351.450	3.168	50	40	FGGB	
COc1cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)ccc1OCC#N	409378156	MUSYAFMTCQMHLV-HAHDFKILSA-N	374.400	3.152	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3ccccc3)cc2)cn1	30802994	DZHCKFBPQKECDE-QRVIBDJDSA-N	359.385	3.373	50	40	FGGB	
COC(=O)c1cc(F)c(CBr)c(I)c1	169796759	WMUQRVILOQLAHO-UHFFFAOYSA-N	372.959	3.112	50	40	FGGB	
Cc1ccccc1NC(=O)C(=O)N/N=C/c1ccc(Cl)c(Cl)c1	3147966	BNGMSSFUBVRMGG-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(F)cc1)c1cc(Br)c(O)cc1O	8812501	RSECGDLLSXJPTA-QGMBQPNBSA-N	367.174	3.153	50	40	FGGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(O)c(Br)c1	100179807	HOUHLJHIHGUUCB-LEORMORHSA-N	351.244	3.431	50	40	FGGB	
CCN1C(=O)/C(=N/NC(=O)CNc2ccc3ccccc3c2)c2ccccc21	100842981	DAGJVVMTYLXNSU-NJNXFGOHSA-N	372.428	3.139	50	40	FGGB	
O=C1O[C@H]2[C@@H]3C[C@H]([C@@H](C(=O)c4ccccc4Cl)[C@@H]13)[C@H]2Br	102742276	RULWUBNGPMNJKQ-DZCCRPTESA-N	355.615	3.094	50	40	FGGB	
COc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OC1CCCC1	12953826	JONLIPGJFKHYKK-GOSISDBHSA-N	366.421	3.266	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)COc2ccc3ccccc3c2)cc1	6453503	LVXRKTFEQQPLSJ-UHFFFAOYSA-N	364.401	3.079	50	40	FGGB	
O=C(N/N=C\c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2	25691032	MPAWZPXJRZVCOM-FXBPXSCXSA-N	353.161	3.192	50	40	FGGB	
CC(=O)N[C@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)C(C)C	7783655	NFNAQFYGVOJKSM-NSHDSACASA-N	352.649	3.251	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/C=C/c2ccc([N+](=O)[O-])cc2)cc1C	9614438	UWAPRONJLLECNT-YQJIRVCQSA-N	353.378	3.406	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccccc2)o1)c1nc(N)c(C#N)c(N)c1C#N	19904992	LOGKDKIDIKNUCE-MDWZMJQESA-N	352.357	3.314	50	40	FGGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(O)cc1O	12362187	AIZYWSVNYGKKHC-DJKKODMXSA-N	369.204	3.324	50	40	FGGB	
CN1C(=O)/C(=N/NC(=O)CSCc2ccc(Cl)cc2)c2ccccc21	103739097	SJWUWRULGJHZFH-HEHNFIMWSA-N	373.865	3.070	50	40	FGGB	
CC(C)Oc1ccc(CCC(=O)NNC(=S)Nc2ccccc2)cc1	13655963	MYKGOHIVDSZVHI-UHFFFAOYSA-N	357.479	3.424	50	40	FGGB	
COC(=O)N/N=C1/C(=O)N(Cc2cccc3ccccc23)c2ccccc21	5793796	CWHAJBXYDJBREV-ZBJSNUHESA-N	359.385	3.447	50	40	FGGB	
C=CCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1	408708392	PSKIDJWUXFYWAY-WSDLNYQXSA-N	370.840	3.144	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)c(C)c1	408796139	OEXGEAYRJFTJEH-FOWTUZBSSA-N	351.406	3.279	50	40	FGGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1ccccn1	409185273	VJOCENIQBBOKNO-GIJQJNRQSA-N	364.268	3.228	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Br)o1	942645	GHFVZUMHILGYDA-FRKPEAEDSA-N	357.591	3.225	50	40	FGGB	
CCn1c(SCC(=O)N/N=C/c2ccco2)nnc1-c1ccc(C)cc1	4902350	GOECFVQJMZJYOJ-YBFXNURJSA-N	369.450	3.109	50	40	FGGB	
Cc1cc(C)c2nc(SCC(=O)NNC(=O)c3ccco3)c(C)cc2c1	932951	OXVMJLFZXOKKHR-UHFFFAOYSA-N	369.446	3.306	50	40	FGGB	
Cc1ncc(C(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)s1	65594464	GNIXVBOCRFRAKV-UHFFFAOYSA-N	361.423	3.394	50	40	FGGB	
CCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2OC)cc1	3167294	QRUKDJJOANROFY-FYJGNVAPSA-N	356.422	3.185	50	40	FGGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)c2ccccc2C(F)(F)F)c1	12748341	REKMMWUUAWPRCO-UHFFFAOYSA-N	366.339	3.162	50	40	FGGB	
C#CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1	3088803	OSWBCDBWTYYPED-HADWXUJASA-N	356.809	3.270	50	40	FGGB	
CC[C@H](Br)C(=O)NCCC(=O)Nc1cccc2ccccc12	8733116	QMNGPYVGIGRTPF-AWEZNQCLSA-N	363.255	3.458	50	40	FGGB	
CC[C@H](C)c1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1	14198179	BPAHMOWJIWVAJW-ZDUSSCGKSA-N	371.462	3.305	50	40	FGGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(Cl)cc(Cl)c1O	4705070	NIPKYMKRHHIRIM-NGYBGAFCSA-N	353.161	3.192	50	40	FGGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)NCCc1ccccc1	408807425	CUQLZUOGZBDGGE-XNTDXEJSSA-N	371.234	3.421	50	40	FGGB	
COc1ccccc1[P@@](=O)(c1ccccc1)c1ccccc1NC(C)=O	17544506	WIFHDSQPYPGJDG-AREMUKBSSA-N	365.369	3.293	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1ccc(C)cc1Cl	409051924	DIYCRZJVMXTKAJ-KEBDBYFISA-N	362.813	3.438	50	40	FGGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1O	408855348	CJVJBBRXMZBXFY-QPEQYQDCSA-N	353.334	3.163	50	40	FGGB	
CCn1cc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc21	34877878	AMBDJIYNVKDNJG-NDENLUEZSA-N	350.378	3.262	50	40	FGGB	
Cc1cc(C(=O)N/N=C(\c2ccccc2)c2ccccn2)ccc1[N+](=O)[O-]	694878	BBQBUAMFYFGZDE-ZBJSNUHESA-N	360.373	3.481	50	40	FGGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)c(OC)c1	18173418	SXHBIFKHKGZXPC-LFIBNONCSA-N	353.422	3.358	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1	825392	NUAKZWBANLGJCW-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
C/C(=N\NC(=O)C(C)C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O	100643625	RNCAVJJHTNTESA-HYARGMPZSA-N	363.417	3.193	50	40	FGGB	
COc1ccc(F)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	2595457	ZVYKIUBDOZHMNW-INIZCTEOSA-N	364.332	3.159	50	40	FGGB	
CCOC(=O)c1c(NC(=O)CCl)sc(C(=O)OC(C)(C)C)c1C	13892464	USPKEMCMMCHUTO-UHFFFAOYSA-N	361.847	3.366	50	40	FGGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1	97990518	CWBMUVJXVQJBBK-VQWLIAMWSA-N	353.466	3.125	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccc(C#N)cc2F)c1OC(C)C	408968767	YUZQMVUPCQKWGV-SSDVNMTOSA-N	355.369	3.257	50	40	FGGB	
O=C(CSCc1cccc(Br)c1)N/N=C/c1cccnc1	408719816	MGNFPQOCLIEGMV-GIJQJNRQSA-N	364.268	3.228	50	40	FGGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36162559	HVOOBPWRWQTFRF-SRZZPIQSSA-N	364.361	3.016	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1	32799165	MNVGNSGNKJSYHD-AWNIVKPZSA-N	351.318	3.178	50	40	FGGB	
CO[Si](CCCCCCCC[Si](OC)(OC)OC)(OC)OC	196713439	SHCGUUKICQTMGF-UHFFFAOYSA-N	354.592	3.083	50	40	FGGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccc(F)cc3)c2)n1	6189258	WLQOPBQTKDDAKF-WSDLNYQXSA-N	350.397	3.451	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C/C=C/c2ccc3c(c2)OCO3)c1C	2934398	FOFUEKRAHFUWQU-RQVUTRMESA-N	352.390	3.226	50	40	FGGB	
CC[C@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccncc1	2750377	ZYJIHYSTRHLDMO-BKQORJHRSA-N	361.243	3.185	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CSc2nc3ccccc3o2)ccc1O	1478012	FRIKOUWEHMPJGM-VXLYETTFSA-N	371.418	3.175	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3O)o2)cc1	408881090	LVYDKVYHEDUBLY-MTJSOVHGSA-N	364.357	3.203	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C(/C#N)C(=O)Nc1ccccc1F	408810153	JXMACZMSFYVRLF-SYCZXOQXSA-N	362.364	3.253	50	40	FGGB	
Cc1ccccc1SCC(=O)NNC(=O)c1cn(C)c2ccccc12	8144874	IJPBKDJSPYPWRA-UHFFFAOYSA-N	353.447	3.040	50	40	FGGB	
C/C(=N\NC(=O)c1ccncc1)c1cccc(NC(=O)c2ccccc2)c1	408864749	YYXJYANWHIQALO-BUVRLJJBSA-N	358.401	3.488	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1OC	5653875	MZHQNFHFOXGVNH-QGOAFFKASA-N	350.418	3.360	50	40	FGGB	
CCCCOc1ccc([C@H]2C(C#N)=C(N)Nc3oc(OC)nc32)cc1C	5792928	DEKOSSXXSHOPJS-HNNXBMFYSA-N	354.410	3.422	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2OC)cc1Br	5880568	KWOKRPFVFFQXLY-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCCCC1	15224594	VDLDWQNQDZKXMN-VXLYETTFSA-N	356.253	3.283	50	40	FGGB	
O=C(NNC(=O)C1(c2ccc(Br)cc2)CCC1)C1CCCC1	47451958	ORBUORLVFOCYBA-UHFFFAOYSA-N	365.271	3.208	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)c2ccccc2C(=O)c2ccccc2)c1	1084533	VJIJKBSGYOBLQV-UHFFFAOYSA-N	358.397	3.301	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Br)cc2)cc1C	7782209	BJGUATWPQKCUMV-VXLYETTFSA-N	374.238	3.155	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1	3083907	ZIISXJQTIRJDHT-UDWIEESQSA-N	359.813	3.218	50	40	FGGB	
CCCCNC(=O)NNC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	1831787	YXXPDMHJVOJDSK-GOSISDBHSA-N	351.450	3.123	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccc(OC)cc2)ccc1O	59473262	FFWZNSWCSHPKRE-RGVLZGJSSA-N	374.462	3.183	50	40	FGGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccccc1[N+](=O)[O-]	5095069	YTXAOVKKKBQKHH-OAHLLOKOSA-N	359.345	3.203	50	40	FGGB	
N#CC1=C2CCCCCN2c2cc(Br)ccc2S1(=O)=O	67172877	XTXLGGAQQPGPNU-UHFFFAOYSA-N	353.241	3.352	50	40	FGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/C=C/c1cccc([N+](=O)[O-])c1	3034448	ISBPKPYADHZVTO-YDVLGVQHSA-N	353.378	3.406	50	40	FGGB	
C/C(=N\NC(=O)CO/N=C/c1ccccc1)c1ccc(Br)cc1	5479969	GNSGFASRBLUBAV-UFTLRZAHSA-N	374.238	3.340	50	40	FGGB	
Cc1ccc([C@@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1	6477533	GKEXIGGPKWLDJE-INIZCTEOSA-N	369.490	3.079	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	53625148	NBSNDDFUCITZPP-LDADJPATSA-N	368.408	3.464	50	40	FGGB	
N#C[C@H]1[C@H](Br)[C@@H](O)c2ccccc2N1C(=O)c1ccccc1	4350005	PKNLRSBYSSNFHC-JYJNAYRXSA-N	357.207	3.036	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1	4671662	IZFMFDGAKYVZAF-UHFFFAOYSA-N	374.396	3.435	50	40	FGGB	
Cc1c(C(=O)NN=Cc2c(O)ccc3ccccc23)sc(N)c1C#N	408729909	KSZDRDQNADSJMW-UHFFFAOYSA-N	350.403	3.133	50	40	FGGB	
CC(C)(Oc1ccc(Cl)cc1)C(=O)n1cc(C(=O)NN)c2ccccc21	216911267	CUJMGRORGGUAPX-UHFFFAOYSA-N	371.824	3.396	50	40	FGGB	
O=C(COc1ccc(OCc2ccccc2)cc1)N/N=C/c1cccnc1	1084915	VUOUBTAAOLQHAR-OEAKJJBVSA-N	361.401	3.190	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N(C)C)c(Br)c2)o1	6966990	AOSYTEGYJAKBBJ-RQZCQDPDSA-N	350.216	3.180	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2cc3cc(OC)ccc3[nH]2)ccc1O	2324891	QKDROTPUPAHPJE-RGVLZGJSSA-N	353.378	3.045	50	40	FGGB	
Cc1ccc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc1[N+](=O)[O-]	11296707	LJNQBJHVNYGOAT-NTEUORMPSA-N	373.376	3.478	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2ccccc2OCC)cc1OC	5467313	FTBMNPBFUHARQF-FYJGNVAPSA-N	372.421	3.022	50	40	FGGB	
CC(C)CCOc1ccc(C(=O)NNC(=O)c2n[nH]c3ccccc23)cc1	6651446	RQBRYRARWQKDAL-UHFFFAOYSA-N	366.421	3.063	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2cc(C)cc(C)c2)ccc1OC	8182225	MFVZGERVGHNKIH-CIAFOILYSA-N	356.422	3.240	50	40	FGGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1OCC(=O)O	409057004	OGVJNPQDDOQVCM-MDWZMJQESA-N	350.330	3.364	50	40	FGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)cc1	214106983	VMZYTPRVBPQOQN-NBVRZTHBSA-N	374.396	3.421	50	40	FGGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1cc([N+](=O)[O-])ccc1O	36020549	DPZXHNWNWFHLDJ-SRZZPIQSSA-N	364.361	3.016	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1	83261081	UYKQLENYFTXVDW-XNTDXEJSSA-N	366.329	3.284	50	40	FGGB	
Cc1ccc(O)c(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	96482363	ORVWHLHNMCHDAQ-HAHDFKILSA-N	360.413	3.087	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(Cl)cc1	20086534	OKYAKKOFKJXAOV-OAHLLOKOSA-N	362.772	3.481	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C\c2cc3c(cc2Cl)OCO3)c1C	30838768	CMIFBZCFKFQHLC-ZBKNUEDVSA-N	360.797	3.215	50	40	FGGB	
NNC(=O)c1cnc(-c2cccc(Cl)c2)nc1NCc1ccccc1	223462890	WQIQYUVGFXCPGR-UHFFFAOYSA-N	353.813	3.013	50	40	FGGB	
N#CC1=C(SCC(=O)c2ccc(F)cc2)NC2(CCCC2)[C@H](C#N)C1=O	5633746	FWGWXWIJAPEUBI-OAHLLOKOSA-N	369.421	3.102	50	40	FGGB	
O=C(N/N=C/c1ccc(N(CCCl)CCCl)cc1)c1ccncc1	1589848	WPLPOENJBQKBDN-FYJGNVAPSA-N	365.264	3.130	50	40	FGGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccccc1F	3008849	KZAMINCYJBOTOX-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
N#CC1=C(O)NC(O)=C([n+]2ccccc2)[C@@H]1c1ccc(Br)cc1	8783188	FYEBTHJGHXXDCV-CQSZACIVSA-O	371.214	3.101	50	40	FGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1435614	WZZLIRGKUVSRNI-DJKKODMXSA-N	361.785	3.394	50	40	FGGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCCC(=O)O)cc1)c1ccccc1	58984117	NDFHBPHXWMXNRA-COYFKBPASA-N	364.401	3.324	50	40	FGGB	
O=C(O)c1ccccc1C(=O)NNC(=O)c1sc2ccccc2c1Cl	4394123	IUPYRPNWCWPSAY-UHFFFAOYSA-N	374.805	3.328	50	40	FGGB	
Cc1ccsc1/C=N/NC(=O)COc1ccc(Br)cc1	4543497	UTYPOSGTIDCAAX-LZYBPNLTSA-N	353.241	3.348	50	40	FGGB	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1O)S(=O)(=O)c1ccc(Cl)cc1	5522196	OPBRXJTUNNFUKF-RIYZIHGNSA-N	364.766	3.292	50	40	FGGB	
COc1cc2c(cc1/C=N\NC(=O)Cc1cccc3ccccc13)OCO2	409071198	IOGANJSKKRTASS-UUYOSTAYSA-N	362.385	3.270	50	40	FGGB	
Cc1ccc(NNC(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1Cl	47528266	MVBZGPRNJDZELQ-OKILXGFUSA-N	374.872	3.414	50	40	FGGB	
O=C(COc1ccccc1[N+](=O)[O-])NN=Cc1c(Cl)cccc1Cl	245227509	IKLDDTGJMWUGGG-UHFFFAOYSA-N	368.176	3.431	50	40	FGGB	
COc1ccc(N2C=C(C#N)S(=O)(=O)c3ccc(C)cc32)cc1OC	44167414	ICDFYZJHYYSQPF-UHFFFAOYSA-N	356.403	3.303	50	40	FGGB	
COc1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)cc(OC)c1	11296745	GVCMZHADYACXQO-RIYZIHGNSA-N	374.404	3.279	50	40	FGGB	
COc1ccc(Br)cc1/C=N\NC(=O)c1ccc(F)cc1	13838194	CMGTVCJCNKPOKW-NVMNQCDNSA-N	351.175	3.361	50	40	FGGB	
COc1cccc(/C=N\NC(=O)c2ccc3c(c2)OCC(C)(C)CO3)c1	225368385	NNOYVSWLUWOOFO-NHDPSOOVSA-N	354.406	3.257	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)n1	14511831	JQEOSIGYBGDFQF-JTQLQIEISA-N	355.225	3.311	50	40	FGGB	
C[C@@H](CSSC[C@H](N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	584578800	GEMLJMUDETYEPM-QWRGUYRKSA-N	351.534	3.015	50	40	FGGB	
COc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OC	818650	GHZXIJHQVSMKAU-GOSISDBHSA-N	368.433	3.463	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)cc1OC	3067338	BDALCXWRXJRIHA-FYJGNVAPSA-N	370.405	3.041	50	40	FGGB	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc2c(c1)OCCO2	8720757	NXEAKESGCFXCOZ-UHFFFAOYSA-N	355.781	3.416	50	40	FGGB	
COc1ccccc1/C(C)=N/NC(=O)CSc1nc2ccccc2[nH]1	59417032	RLZVIYHCXCZUQF-CIAFOILYSA-N	354.435	3.204	50	40	FGGB	
Cc1c(C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2F)oc2ccccc12	9155111	FYWRHGHQJZEMBD-CABCVRRESA-N	352.365	3.445	50	40	FGGB	
CCOC(=O)c1ccc(/C=N/NC(=O)COc2c(C)cccc2C)cc1	408915987	SSGNSENBSMMBFG-CIAFOILYSA-N	354.406	3.009	50	40	FGGB	
CC(C)(C)NC(=S)NNC(=O)c1cc2cc(Br)ccc2o1	42786162	FIIWGFWTHYICCD-UHFFFAOYSA-N	370.272	3.103	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OC(=O)c3cccs3)cc2)cn1	30803130	WBMSZMQPUXITOY-NHDPSOOVSA-N	365.414	3.435	50	40	FGGB	
N#CC(C(=O)CSc1nnc(-c2ccco2)o1)=C1Nc2ccccc2N1	3286709	YQBKWPXCFYSRJD-UHFFFAOYSA-N	365.374	3.264	50	40	FGGB	
Cc1cc2c(c(=O)n1C)[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	2341436	IIQKQMLUHFAVEP-CQSZACIVSA-N	362.216	3.219	50	40	FGGB	
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2O)C(C#N)=C(N)O3)cc1	5940478	XGJFDDHKNKSPIM-INIZCTEOSA-N	360.373	3.009	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408794893	JMTFTCMCHMKMSJ-GZTJUZNOSA-N	364.401	3.401	50	40	FGGB	
CS(=O)(=O)N(CC(=O)NN=C1CCCCC1)c1cccc2ccccc12	19955179	WLRLFUKBSIUNCV-UHFFFAOYSA-N	373.478	3.042	50	40	FGGB	
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)c2cn(C)c3ccccc23)c1C	8140867	QOVVMYQGMHNBNB-HNNXBMFYSA-N	365.433	3.024	50	40	FGGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(I)c1	9201115	JTOYWXJSULGQAD-LICLKQGHSA-N	364.186	3.364	50	40	FGGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cccc3ccccc23)c1	59501709	SYSXSMKKTXGEML-HZHRSRAPSA-N	373.412	3.493	50	40	FGGB	
O=C(CSc1ccc(Cl)cc1)NNC(=S)NC1CCCCC1	2534617	HYBBLOBPGSJGAE-UHFFFAOYSA-N	357.932	3.260	50	40	FGGB	
COc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCCOc1ccccc1	4550808	LLIDMBSUJVDJNK-NTEUORMPSA-N	372.808	3.199	50	40	FGGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1cccc(C)c1O	4691156	AUQINAUFRYFJCW-LPYMAVHISA-N	373.840	3.166	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2c3c(nc4ccccc24)CCCC3)cc1	8117983	IZRGYBJNQPOZJH-UHFFFAOYSA-N	359.429	3.497	50	40	FGGB	
CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(SC#N)cc2)n1	17993553	QRHHMQVQXRTAMN-UHFFFAOYSA-N	360.464	3.026	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)CSCc2ccccc2C)ccc1O	408773048	PBJQASWIYBOADA-RGVLZGJSSA-N	358.463	3.483	50	40	FGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)OC)cc2)cc1	408792691	BLONTQDTXHGXJW-GHRIWEEISA-N	360.369	3.031	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCC(=O)O)cc2)cc1	5713405	PXJBTEZUQVCRHP-PTNGSMBKSA-N	366.373	3.094	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@@H](c2sccc2C)CC(=O)N1	9087318	UHSNLVBURNJDPW-LBPRGKRZSA-N	364.492	3.472	50	40	FGGB	
Cc1nn(CC(C)C)c(Cl)c1C(=O)NNC(=O)c1cccc(Cl)c1	7784712	LVOIUJBXVKNIBH-UHFFFAOYSA-N	369.252	3.229	50	40	FGGB	
O=C(NNC(=O)c1ccc(Br)o1)Nc1ccc(Cl)cc1	2807110	GDANIJGTVOAKPW-UHFFFAOYSA-N	358.579	3.162	50	40	FGGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)CC(=O)N1	9363562	BBWMHSVRFDEKCR-HNNXBMFYSA-N	358.463	3.445	50	40	FGGB	
CNc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1[N+](=O)[O-]	5692982	CAGGQZKQCFKXOT-BVTUPMQUSA-N	350.378	3.421	50	40	FGGB	
O=C(NC/C(=N\NC(=O)C1CC1)c1ccccc1)c1ccccc1Cl	18191647	BKWFUAHIZNSMLU-OQKWZONESA-N	355.825	3.000	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408935415	FDMIQYRTPXYOJM-KIHMUJGBSA-N	374.872	3.112	50	40	FGGB	
O=C(N/N=C/c1cccc([N+](=O)[O-])c1O)c1ccc(Cl)cc1Cl	409063794	ACPFIBWFCAMCQQ-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
CCn1cccc1/C=N/NC(=O)c1cc(Br)ccc1OC	408931331	KDDCABBRVWLECU-LICLKQGHSA-N	350.216	3.043	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C(=O)NC1CCCCCC1	409007156	UCLJOULOSOJGKO-VXLYETTFSA-N	356.253	3.283	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccc(C)cc2)cc1	409006938	LMDSNKJOKLFQNU-SFQUDFHCSA-N	364.401	3.483	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(C)=O)cc1OC	408763962	HHIVXUIMNJGAGV-GDNBJRDFSA-N	350.374	3.452	50	40	FGGB	
O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccccc1O	1437777	FDJGINNVPYCSIR-DJKKODMXSA-N	366.204	3.178	50	40	FGGB	
Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C	1570224	QDUOCLSEXSLRSS-VBKFSLOCSA-N	360.373	3.457	50	40	FGGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccc(Br)c3)n2c1	59444022	KNXRCSPWYLEEIZ-DJKKODMXSA-N	371.238	3.478	50	40	FGGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	108177414	CHZCOXXPZSNNGU-STZFKDTASA-N	362.389	3.387	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2[N+](=O)[O-])o1	408598460	AWBVJOYTVFAQNR-CIAFOILYSA-N	360.329	3.490	50	40	FGGB	
Cc1n[nH]c2c1[C@@H](c1c(C)nn(-c3ccccc3)c1Cl)C(C#N)=C(N)O2	6530654	KCGMCKBTYPWZOI-OAHLLOKOSA-N	366.812	3.084	50	40	FGGB	
Cc1cc(SCC(=O)N/N=C/c2cccnc2)c2cccc(C)c2n1	1007995	ORWLFLZRSKTOCW-SRZZPIQSSA-N	350.447	3.489	50	40	FGGB	
CC1=C(C#N)[C@@](c2c(C)nn(-c3ccccc3)c2O)(C(F)(F)F)C(O)=N1	4597914	JEBCEFQBHIAPFE-INIZCTEOSA-N	362.311	3.454	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1	59101840	OLZFJYDLUCVNPO-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)N3C(=C2C#N)Nc2ccccc23)cc1OC	2294751	RXIIYXNXCJIUIY-IBGZPJMESA-N	371.400	3.162	50	40	FGGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	4132827	LYZIKLCXZQHPHX-RGVLZGJSSA-N	371.393	3.127	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1cccc(Cl)c1	4355126	FGDPYFMDZPRTQH-UHFFFAOYSA-N	364.796	3.226	50	40	FGGB	
C=CCc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(OC)c1O	4599636	QCGXPQABDNGHOH-CPNJWEJPSA-N	362.429	3.395	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1	408743401	SSUAHSBKIHFSLH-VBKFSLOCSA-N	350.374	3.174	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)N(C)C3=C2C(=O)CCC3)cc1OCC	409137602	WEGAFMITCGCKQV-IBGZPJMESA-N	367.449	3.214	50	40	FGGB	
COc1cc(C=O)ccc1OC[C@@H](O)C[C@@H]1C=C(C=O)c2ccccc21	95117201	SUMOGIHYJKLDLE-RDJZCZTQSA-N	352.386	3.017	50	40	FGGB	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1OC	3167443	QYDNFASILOQLIQ-ZICWZVMQSA-N	362.813	3.275	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(OC)c1O	5512388	NPHWFGOSAVHQTA-UFWORHAWSA-N	369.204	3.480	50	40	FGGB	
Cc1cc(CCCC(=O)N/N=C\c2ccc(C)c([N+](=O)[O-])c2)ccc1O	32109899	NFOQPLUAEDXXOA-NDENLUEZSA-N	355.394	3.390	50	40	FGGB	
COC1=CC=C2[C@@H]3Cc4ccc(OC)c5c4[C@]2(CCN3CCCl)[C@@H]1O5	1562692	OHOGXXYPAHXKHY-VHKYSDTDSA-N	359.853	3.034	50	40	FGGB	
C/C(CC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)CCc1ccccc1	100923078	XYURNPOONHKNAX-KGENOOAVSA-N	368.393	3.048	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)cc2)cc1	213363988	HKVUMXVOJOSHOF-VKAVYKQESA-N	363.417	3.077	50	40	FGGB	
CCOc1ccc(OCc2ccc(C(=O)NNC(=O)[C@@H](C)CC)cc2)cc1	12982002	QTXSZXUYZWWXHH-HNNXBMFYSA-N	370.449	3.471	50	40	FGGB	
N[P@](=O)(OCCCOCc1ccccc1)N(CCCl)CCCl	104182826	HXVMZODBPKLHIJ-QFIPXVFZSA-N	369.229	3.456	50	40	FGGB	
Cc1cc(F)c2c(c1)/C(=N/NC(=O)c1cc3ccccc3cc1O)C(=O)N2	40081994	QJGPYTDMXVWISR-UHFFFAOYSA-N	363.348	3.079	50	40	FGGB	
COc1cccc(/C=N\NC(=O)CSc2nc3ccccc3s2)c1O	31857570	ZWEUYAQUMPWIAB-NVMNQCDNSA-N	373.459	3.253	50	40	FGGB	
CCCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1	7869233	KNYLTVCQFRGGCQ-FYJGNVAPSA-N	353.422	3.181	50	40	FGGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(O)ccc1[N+](=O)[O-]	36153539	YOHBZNHCYLGKHJ-SRZZPIQSSA-N	364.361	3.016	50	40	FGGB	
CCOC(=O)NNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1	29559820	ZUJVNDHLDNFHCM-UHFFFAOYSA-N	366.377	3.103	50	40	FGGB	
C[C@H]1CN(Cc2ccc(C(=O)NNc3ccc(F)cc3)cc2)C[C@@H](C)O1	46456361	WRTRRSDSAATXTO-GASCZTMLSA-N	357.429	3.192	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)CC2(C)SCCS2)cc1[N+](=O)[O-]	13148249	DXXHUKJTSPGIHX-MHWRWJLKSA-N	369.468	3.030	50	40	FGGB	
CO[C@@]1(c2ccccc2)C[C@@H]1C(=O)N/N=C/c1ccccc1Br	1084284	IRWBNKOBJVFTEL-RLTHDXANSA-N	373.250	3.461	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O[C@@H](C)C(=O)O)cc2)c1	59248884	SCJMLECHSLCKNN-HNDQUVLASA-N	350.374	3.393	50	40	FGGB	
O=C1S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1CCBr	9954075	PBHYOSYXXNEOGD-YFHOEESVSA-N	357.185	3.026	50	40	FGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)NCc1ccccc1	59248358	GHMAXQKANGWIFT-NVNXTCNLSA-N	370.792	3.027	50	40	FGGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)N(C)C)cc1Br	59333976	TWVHPYNOHSREIR-YHYXMXQVSA-N	357.635	3.496	50	40	FGGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc([N+](=O)[O-])cc1	408534372	VKECWPKJHVPLDA-ZVBGSRNCSA-N	366.299	3.176	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(O)c([N+](=O)[O-])c1	409181004	XUIOHRZYANDNMM-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
Cc1ccc(C)c(OCC(=O)NNC(=O)COc2ccccc2C(C)C)c1	6478556	CYTFTXWEPFEXRI-UHFFFAOYSA-N	370.449	3.032	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	408591855	VRJARIWYFJQVHR-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
Cc1ccc(OS(=O)(=O)S(C)(C)c2cccc(C(=O)O)c2)cc1	103109607	LVMWPOLQBUAISL-UHFFFAOYSA-N	354.449	3.440	50	40	FGGB	
O=C(NCCC(c1ccccc1)c1ccccc1)NNC(=O)c1ccco1	24635810	JNZQZANHTLJSLW-UHFFFAOYSA-N	363.417	3.446	50	40	FGGB	
CCOc1cc(Br)c(/C=C(/C#N)C(=O)NC(C)C)cc1OC	6944174	VFQALAIIHUGXKH-SDQBBNPISA-N	367.243	3.288	50	40	FGGB	
CCOC(=O)c1cccc(N2C=C(C#N)S(=O)(=O)c3cc(F)ccc32)c1	65096015	JJYPDONHNGKHNJ-UHFFFAOYSA-N	372.377	3.293	50	40	FGGB	
CCOC(=O)c1oc2nc3c(cc2c1NC(=O)CCl)COC(C)(C)C3	9423397	KKVYDEINKNNCFT-UHFFFAOYSA-N	366.801	3.033	50	40	FGGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OC)c1	408806710	BJFZXGBYQVWNLP-HAAVITCDSA-N	367.243	3.288	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cnn(C2CCCC2)c1	253404897	RMBIKFDFMXEMSI-KRWDZBQOSA-N	352.438	3.449	50	40	FGGB	
COc1ccc(C(=O)N/N=C\c2c(O)ccc3ccccc23)cc1OC	13953994	SUIMQKQDENSMND-MTJSOVHGSA-N	350.374	3.327	50	40	FGGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1	59334504	YFKCARDLYWWNDV-WQRHYEAKSA-N	365.433	3.266	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C(=O)N/N=C(\C)CCc1ccccc1	59434011	DTMIXTLNCILOOD-PXLXIMEGSA-N	353.422	3.067	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1	408996028	GNMJNXCVFMQOKD-GXDHUFHOSA-N	366.377	3.215	50	40	FGGB	
COC(=O)c1cc(OC)c(OC)c(Br)c1CBr	98177816	GQHPLAGWOKBJEH-UHFFFAOYSA-N	368.021	3.148	50	40	FGGB	
C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OC)c(OCC)c1	409331533	DOBILFFDXMUPOB-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
N#CC1=C(NC(=O)N2CCOCC2)c2ccccc2CC12CCCCC2	27534090	FYLPPHQLKOHMLM-UHFFFAOYSA-N	351.450	3.470	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCC#N	7157235	FDACZARURXRFRL-BRFSQIRFSA-N	361.401	3.382	50	40	FGGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2CCCN(C(=O)C(F)(F)F)C2)C1	102411736	MACFFDSUHXLTPQ-AZTFDWIISA-N	371.403	3.192	50	40	FGGB	
C/C(=N\NC(=O)CSc1nc2ccccc2[nH]1)c1ccc([N+](=O)[O-])cc1	13633093	VGKIEBXMOKNAPA-RGVLZGJSSA-N	369.406	3.104	50	40	FGGB	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccs2)N2NC=C(C#N)C2=N1	9484531	OZKRNIUGYCHFHR-KRWDZBQOSA-N	361.430	3.342	50	40	FGGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccccc1F	408868976	OMLAQQFDXYINCF-RVDMUPIBSA-N	350.349	3.392	50	40	FGGB	
O=C(NNC(=O)c1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1	39985755	NGTFDVDWPQTZHF-UHFFFAOYSA-N	369.164	3.368	50	40	FGGB	
CCCOc1ccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)cc1	216958367	GYEZMNJIJSXXDE-UHFFFAOYSA-N	351.406	3.031	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1nc(N(C)C)n(-c2ccc(F)cc2)c1Cl	2657824	QPKBQJILLFFAHS-PKNBQFBNSA-N	362.792	3.201	50	40	FGGB	
O=C(CN1CCCCCC1=O)NNc1c(Cl)cc(Cl)cc1Cl	23694795	IQCQQNJYLBVTAK-UHFFFAOYSA-N	364.660	3.493	50	40	FGGB	
O=C(CCc1ccc2c(c1)OCO2)N/N=C/c1ccc2ccccc2c1O	408564343	YRXOORHMNPSZOO-WSDLNYQXSA-N	362.385	3.357	50	40	FGGB	
O=C(NN=C(C1CC1)C1CC1)c1cccc(I)c1	4551571	HVHJZIZNCWPRSQ-UHFFFAOYSA-N	354.191	3.197	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccc2c(c1)OCO2	4689352	INQGWKOAUMBHBG-KEBDBYFISA-N	360.797	3.160	50	40	FGGB	
CO/N=C/c1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1	1776002616	JBMCZZNBDYDZEL-LSHDLFTRSA-N	362.311	3.314	50	40	FGGB	
CCOc1cc(Cl)c(Cl)c(/C=N/NC(=O)c2ccccn2)c1O	1092625	TWYQSGMSNVXPGF-UFWORHAWSA-N	354.193	3.257	50	40	FGGB	
O=C(NNC(=O)c1ccccc1O)c1ccc(SC(F)(F)F)cc1	13011710	LMNIYVMBWDRLEY-UHFFFAOYSA-N	356.325	3.079	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2)C(C#N)(C#N)[C@H]1c1ccccc1	20790764	MLRCUQKSOZOVSI-VQTJNVASSA-N	374.407	3.371	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(C)n1-c1cccc2ccccc12	6962083	DPNLZDHEEFIDOP-BOPFTXTBSA-N	358.401	3.349	50	40	FGGB	
COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C)o3)o2)cc1	5547645	SWQAATWRYLUWGQ-RGVLZGJSSA-N	352.346	3.399	50	40	FGGB	
CCOC(=O)[C@@H](CC)C(C)=NNC(=O)c1cccc(Br)c1	245232650	ZHWKHAAJKAQVLB-ZDUSSCGKSA-N	355.232	3.144	50	40	FGGB	
CCc1ccc2c(c1)/C(=N\NC(=O)c1cc(F)c(F)cc1Cl)C(=O)N2	6710325	KXISGTJDBVBIBP-UHFFFAOYSA-N	363.751	3.267	50	40	FGGB	
O=C(NNC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccco1	12810876	XBOYKGYBXVXTJD-UHFFFAOYSA-N	368.776	3.239	50	40	FGGB	
O=C(NNc1cccc(Cl)c1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1	37171101	MVTZVXRXQRWDRO-NSHDSACASA-N	364.232	3.490	50	40	FGGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OC2CSC2)cc1	408829258	OVENTDCNBSRCQH-KEBDBYFISA-N	356.447	3.018	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)NN=Cc1ccc(N(C)C)cc1)c(C)n2C	252678583	FSKVLELPZRJPOE-UHFFFAOYSA-N	364.449	3.325	50	40	FGGB	
COc1ccc(C(=O)Nc2ccc(C(=O)N/N=C/c3ccco3)cc2)cc1	2020945	YFCSCVFMGIGNES-FYJGNVAPSA-N	363.373	3.304	50	40	FGGB	
CC(C)C[C@@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19200174	DPZXKVAWYKKGOL-LEWJYISDSA-N	371.488	3.491	50	40	FGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1F	840369	BMPVGMNWWNWRPQ-SECBINFHSA-N	371.195	3.361	50	40	FGGB	
O=c1nc2n(c3sc4c(c13)CCCC4)[C@@H](CBr)CS2	1254956	UGIHUIYATGNEDB-ZETCQYMHSA-N	357.298	3.379	50	40	FGGB	
Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(Br)cc3)n2c1	59444023	WTSJQPMYBFBYEI-DJKKODMXSA-N	371.238	3.478	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2)CC(=O)N1	2476055	QEAYRMYHLHVZFK-CYBMUJFWSA-N	364.854	3.365	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408792362	AYMYOZFFVAZDKX-NTEUORMPSA-N	370.792	3.437	50	40	FGGB	
C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O	7928838	AJJJZUCLEOIAKP-HIFRSBDPSA-N	354.362	3.110	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1	59506606	WCMCXBPIEKPKOT-WSDLNYQXSA-N	357.841	3.230	50	40	FGGB	
O=C(N/N=C/c1ccccc1)c1ccc(I)cc1	10118434	VCEFHTPUHSLPPO-MHWRWJLKSA-N	350.159	3.055	50	40	FGGB	
CCOc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)cccc1OC	4617017	SSWMTJLSFBSXQS-NBVRZTHBSA-N	350.418	3.360	50	40	FGGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2cccc(F)c2)c1	409089901	PBKLTMWZASEFHR-CIAFOILYSA-N	351.337	3.079	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	6346404	PFCSVNWVQKWZOV-UXHMZNKVSA-N	367.424	3.452	50	40	FGGB	
COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1ccc(F)cc1	226335888	OJQHTQOWBLVSKQ-QPJJXVBHSA-N	350.777	3.070	50	40	FGGB	
Cc1ccc(S(=O)(=O)SCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1725888	FRBABXARVTUKQJ-UHFFFAOYSA-N	351.405	3.208	50	40	FGGB	
CC(C)(C)[C@H](Br)C(=O)NCCC(=O)Nc1ccc(F)cc1	8733182	VWMZGRKXMSKHDM-CYBMUJFWSA-N	359.239	3.080	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)CSCc2ccc(C)cc2)c1	59473640	IYGRJXGUHIEBSW-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
CCOc1cc(C(=O)NNc2ccc(C(=O)O)cc2)ccc1OC(F)F	3407965	IVQHYCHVXAGXGY-UHFFFAOYSA-N	366.320	3.142	50	40	FGGB	
Cc1c(C(=O)NNC(=O)N2CCC[C@H](C(F)(F)F)C2)oc2ccccc12	84068141	CLWFNEPMCVOOFC-NSHDSACASA-N	369.343	3.370	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1O	409085810	ZQGQFGCLTMLSKJ-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
C/C(=N\NC(=O)CSc1nc(C)cc(C)n1)c1cc2ccccc2o1	20986474	BWELRVLYJWZLFY-FYJGNVAPSA-N	354.435	3.472	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1OC	3151947	VLGFLSDEQFRNFP-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1	408894495	IGGPPWGSAHWHNF-MDWZMJQESA-N	353.334	3.158	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1cccc(C(=O)O)c1	408994201	HEILQBKCONNUIR-RGVLZGJSSA-N	351.362	3.149	50	40	FGGB	
CCCOc1ccc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)cc1OC	8339692	BYSDYYXLDUROBL-FYJGNVAPSA-N	372.421	3.265	50	40	FGGB	
CCCCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2C)CC(=O)N1	9015374	BXYMMSPPJIWQHT-HNNXBMFYSA-N	358.463	3.410	50	40	FGGB	
CN1C(=O)/C(=N/NC(=O)CSCc2ccccc2Cl)c2ccccc21	103736663	QYOJKMHTGJIMQP-HEHNFIMWSA-N	373.865	3.070	50	40	FGGB	
O=C(O)COc1ccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1	4545317	QYMXLAWNQJBLHG-AWQFTUOYSA-N	372.764	3.314	50	40	FGGB	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NNC(=O)c1ccccn1	17329326	QLSKXLCUQXCONH-UHFFFAOYSA-N	372.837	3.242	50	40	FGGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)N[C@@H](C)CC	408815828	VDSRDHQHEFVHPH-IGVUGNCQSA-N	361.239	3.283	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1O	903694	PCDVLFGXQDCMTD-GIJQJNRQSA-N	350.827	3.297	50	40	FGGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc2ccccc2c1	52410743	LOUQFRNVIZWWOI-KEBDBYFISA-N	363.329	3.241	50	40	FGGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)Cc1ccccc1	100923135	FFKIVPXIMYBEEP-HYARGMPZSA-N	357.841	3.081	50	40	FGGB	
CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)nc1	4724823	NJCQOPFDRLDMKL-VXLYETTFSA-N	362.227	3.315	50	40	FGGB	
O=C(Cc1cccc2ccccc12)NNC(=O)c1cnn(-c2ccccc2)c1	8734042	NOBLQAVKNWPLTD-UHFFFAOYSA-N	370.412	3.029	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)c(OC)c1	33587563	DFCNHQATVMGKOC-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCc2ccc(C)cc2)cc1OC	59472995	YLEJSMGSLAQSJG-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)cc1	23724216	WGQNAYRMNOBAIH-RVDMUPIBSA-N	365.345	3.317	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C\c2cccc(OC)c2)cc1OCC	409311479	GHLNJUYRHCEGHM-STZFKDTASA-N	354.406	3.423	50	40	FGGB	
Cc1cccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc5c(c4)OCO5)c32)c1	5130137	WZQHPSWTGVKDRI-KRWDZBQOSA-N	372.384	3.332	50	40	FGGB	
C[C@@H](Oc1ccccc1)C(=O)N/N=C\c1cc(Br)ccc1O	54235244	UXJOVLPNUICFPN-IPHDDYSGSA-N	363.211	3.072	50	40	FGGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)NNC(=O)c3ccccc3)c2)cc1	8372186	YYGNZBCHLUIJLK-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)OCCO3)c2C)c1	58927216	ONJYJQVNUHLMBB-FYJGNVAPSA-N	355.438	3.006	50	40	FGGB	
CC(C)Oc1ccc(/C=N/NC(=O)[C@H](O)c2ccccc2)c(OC(C)C)c1	409252603	COXNDDOLTSCMLV-CCULFSDZSA-N	370.449	3.445	50	40	FGGB	
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	6787732	HLPBWNLXFVSKDS-JTQLQIEISA-N	370.302	3.073	50	40	FGGB	
C/C(=N\NC(=O)c1ccccc1F)c1c(C)nn(-c2ccccc2)c1O	96316588	GYDVPEFDSAPTBQ-CIAFOILYSA-N	352.369	3.179	50	40	FGGB	
C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1	33660202	VTTWPYVNXUGTEV-MFOYZWKCSA-N	362.729	3.310	50	40	FGGB	
N#C/C(=C\c1ccc(N2Cc3ccccc3C2)cc1)C(=O)NC[C@@H]1CCCO1	870334	DZJLAGVPUJJEPA-PZDOZLBDSA-N	373.456	3.409	50	40	FGGB	
COc1cc(OC)cc(C(=O)NN=C2CCN(Cc3ccccc3)CC2)c1	8339547	BPFWSJIZFZSAMM-UHFFFAOYSA-N	367.449	3.086	50	40	FGGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C(/C)c2cccc(O)c2)[nH]n1	4094732	VMMDAXRUBHBFFY-BKUYFWCQSA-N	364.405	3.335	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@@H](C)Nc2ccc(C)cc2)cc(Cl)c1O	2750757	RVRBVEWAGJLSQZ-HMASQMOLSA-N	361.829	3.313	50	40	FGGB	
CCCCCc1ccc(C(=O)CCC(=O)NNC(=O)c2ccncc2)cc1	32975386	KYRDVDQJCPIXPF-UHFFFAOYSA-N	367.449	3.238	50	40	FGGB	
COc1ccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c2ccccc12	107643914	QHQKCLRRRLCSRB-BKUYFWCQSA-N	363.373	3.449	50	40	FGGB	
C=CCSC1=C(C#N)[C@H](c2ccccc2C)[C@@H](C(=O)OCC)C(=O)N1	9320596	UKHWWKOJUJGIHR-JKSUJKDBSA-N	356.447	3.042	50	40	FGGB	
CCCOc1ccc(C(=O)NNC(=O)c2ccc(C)c(F)c2)cc1OC	7963714	AQIAAVLIFMMZPR-UHFFFAOYSA-N	360.385	3.006	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(NC(C)=O)cc2)cc1OC	96663312	YUFHHOPFIGIQKL-GDNBJRDFSA-N	365.389	3.208	50	40	FGGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(N3CCCC3)o2)cc1	408853365	NZXRLIITNLMSSG-UNOMPAQXSA-N	359.451	3.131	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1	44061940	IBSKVOHFRFWJDG-DEDYPNTBSA-N	352.394	3.267	50	40	FGGB	
COc1ccc(/C=C(/C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1OC	4596717	YUNFBRJQRROFMB-GDNBJRDFSA-N	371.400	3.408	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)OC)cc1	948696	WYHPPHMKGIZZGH-NTCAYCPXSA-N	350.374	3.418	50	40	FGGB	
Cc1ccc(CN2C(=O)/C(=N\OC(=O)[C@@H](C)Cl)c3ccccc32)cc1	3064113	DADPNIPLEYBOTE-PWNVGIJBSA-N	356.809	3.416	50	40	FGGB	
Cc1ccc(CNC(=O)NNC(=O)CCSc2ccc(F)cc2)cc1	12865021	QWJFLVXZYFTROI-UHFFFAOYSA-N	361.442	3.147	50	40	FGGB	
Cc1ccc(NC(=O)[C@@H](NNC(=O)c2ccccn2)c2ccccc2)cc1	15461087	WDRNRTZKRIWKBN-IBGZPJMESA-N	360.417	3.004	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1	408775116	ODQRWDOOJZWALY-PXLXIMEGSA-N	371.868	3.326	50	40	FGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccccc2Cl)cc1	408591869	VTUFTSUVMTXZBR-RGVLZGJSSA-N	360.797	3.046	50	40	FGGB	
CC/C(=N\NC(=O)COc1ccccc1OC)c1ccc(OC)c(OC)c1	6377783	SSFHLBBMPIXTDX-RCCKNPSSSA-N	372.421	3.022	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1)c1ccccc1	4347678	NSUGHVIQBHZTMG-XSFVSMFZSA-N	352.394	3.349	50	40	FGGB	
CCCC(=O)C1=C(N)C(C#N)=C(N2CCCCC2)[C@@]1(C#N)c1ccccc1	1087453	ALFYKENFCYUVRA-QFIPXVFZSA-N	360.461	3.307	50	40	FGGB	
O=C(NNC(=O)[C@@H]1CCCc2ccccc21)c1ccccc1Br	12920911	BFKILQFJFRLYLN-CQSZACIVSA-N	373.250	3.330	50	40	FGGB	
C[C@@H]1CN(Cc2ccc(C(=O)NNc3ccc(F)cc3)cc2)C[C@@H](C)O1	46456363	WRTRRSDSAATXTO-HUUCEWRRSA-N	357.429	3.192	50	40	FGGB	
Cc1ccccc1NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C	8733131	NAUVRJSTCAVEOV-AWEZNQCLSA-N	355.276	3.249	50	40	FGGB	
CN(NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)c1ccccc1	58412671	YZXXATLOLKJACQ-UHFFFAOYSA-N	368.387	3.420	50	40	FGGB	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3cccs3)[nH]n2)cc1OC	18148471	GVFPVCXKGFFSCS-YBFXNURJSA-N	370.434	3.309	50	40	FGGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc(NC(=O)c2ccccc2)cc1	18173164	XQEFZWKBDFQRDR-BUVRLJJBSA-N	358.401	3.488	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Br)c1OC(C)C	408874546	BNEGUIHKBDEJPX-VZUCSPMQSA-N	353.216	3.027	50	40	FGGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1	408777232	WXWSCHWQOCJDPV-WQRHYEAKSA-N	364.401	3.395	50	40	FGGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@H](Br)[C@H](Br)C2)O1	5376594	XVHYWNFCTTTZAH-SOYHJAILSA-N	362.489	3.294	50	40	FGGB	
COc1cccc2sc(NNC(=O)c3cc4ccccc4oc3=O)nc12	4121319	FTDRIVCNQLPZPK-UHFFFAOYSA-N	367.386	3.168	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1C	7813077	PTQNEDCQWXFLBL-WSDLNYQXSA-N	361.401	3.251	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c1OC(C)C	7893491	YANCQKLCJRRJEP-YBFXNURJSA-N	357.366	3.155	50	40	FGGB	
Cc1ccccc1NC(=O)CCNC(=O)[C@@H](Br)C(C)(C)C	8733132	NAUVRJSTCAVEOV-CQSZACIVSA-N	355.276	3.249	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])c(O)c2)c1	44950329	JNFFUUJPCLOIMD-KEBDBYFISA-N	371.393	3.261	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)N2C(=N1)SC(C#N)=C2N	408602759	DPVABSXEIIDHKC-INIZCTEOSA-N	368.462	3.332	50	40	FGGB	
COc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1C	33642734	PHYAARXRRFEXAV-JLPGSUDCSA-N	374.440	3.390	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCC(=O)O)c(C)c1	40161139	YRECCLTZGUJNSH-YBEGLDIGSA-N	350.374	3.313	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)cc1	3177789	RPAVYLRJLILAMG-UFFVCSGVSA-N	352.312	3.243	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1OC	408896999	PPOOXWPKPDUNGX-RIYZIHGNSA-N	367.361	3.466	50	40	FGGB	
CC(=O)Nc1ccc(OCC(=O)N/N=C/c2ccc(C(C)C)cc2)cc1	4545269	RKZNTLSTKRHFAH-CIAFOILYSA-N	353.422	3.298	50	40	FGGB	
CN(C)C(=O)/C(C#N)=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1	15231286	KFEICMIAKUSXFL-WJDWOHSUSA-N	351.362	3.169	50	40	FGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccco2)c(Br)c1	20100974	WZZNNLQHNLRVHE-IUXPMGMMSA-N	351.200	3.188	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	104129068	RZABTPBGAIURGQ-YDZHTSKRSA-N	373.412	3.349	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)CCCCCC(=O)N/N=C/c2ccc(C)o2)o1	5942762	KJXAANVQZNOING-ZIOPAAQOSA-N	372.425	3.040	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2ccc(Cl)c(C)c2)ccc1O	3036969	XBXTUTQFZDNWNC-KEBDBYFISA-N	362.813	3.282	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)N(C)CCOc2cccc(Cl)c2)cc1	12567691	VVKHJALIIJCHTR-UHFFFAOYSA-N	361.829	3.014	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCC2)cc1F	108108688	YWNZZZXTXBMWGK-BKUYFWCQSA-N	370.384	3.027	50	40	FGGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccncc2)cc1	6258608	BVDMYGGIOHGICC-ZVHZXABRSA-N	356.385	3.296	50	40	FGGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccccc1[N+](=O)[O-]	4457846	YTXAOVKKKBQKHH-HNNXBMFYSA-N	359.345	3.203	50	40	FGGB	
CCOc1cc(C(=O)N/N=C(\C)c2ccccn2)cc(OCC)c1OCC	6487418	VRAREXXSNIOUTP-HYARGMPZSA-N	371.437	3.432	50	40	FGGB	
COC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1	4513578	SJHUUCNSLXIHGH-VXLYETTFSA-N	362.769	3.258	50	40	FGGB	
CC(C)=NNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1	408780815	LGWZPMSEHHEJCS-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
C/C(=N\NC(=O)CNc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	409360384	FCUQWORDQHVDNY-CIAFOILYSA-N	359.813	3.064	50	40	FGGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	408882484	PGUPCOKNYTWVLC-OQLLNIDSSA-N	365.345	3.236	50	40	FGGB	
CC(C)N(C(=O)CCl)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1	79392713	JNDJUADYFIYVLO-MRXNPFEDSA-N	352.862	3.263	50	40	FGGB	
CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	96193580	BROVMVPZKHWBSA-NVNXTCNLSA-N	363.329	3.043	50	40	FGGB	
CC1(CC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)SCCS1	6348132	HHFMUTIRPUCYAR-FRKPEAEDSA-N	358.872	3.105	50	40	FGGB	
CCn1c(C)cc2c(c1=O)[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2	2346333	LDYRNLFWUCUIMO-INIZCTEOSA-N	353.447	3.117	50	40	FGGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccc3c(c1)OCO3)C(O)=N2	6459505	MSACWZFKXJUTNN-UHFFFAOYSA-N	351.362	3.274	50	40	FGGB	
C/C(=N\NC(=O)CN1CCCc2ccccc21)c1ccc(N(C)C)cc1	8124561	XFTLDKPOOAGZLL-CJLVFECKSA-N	350.466	3.046	50	40	FGGB	
O=C(N/N=C/c1ccc(I)o1)c1ccc(Cl)cc1	6221302	GZWZELBLLGBQNZ-VIZOYTHASA-N	374.565	3.302	50	40	FGGB	
O=C(O)c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	6225272	QUPLRHWWUXUKQF-GIJQJNRQSA-N	369.358	3.272	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1cc(C)c(/C=C(\C#N)C(=O)OCC)cc1C	3174634	LHNRYXCLSNFNLR-BEQMOXJMSA-N	352.390	3.244	50	40	FGGB	
CC[C@@H](Nc1ccc(C)cc1)C(=O)N/N=C/c1ccc(OC)cc1OC	695745	ZKEYPBLHEKFVJR-KOMLCTQHSA-N	355.438	3.353	50	40	FGGB	
O=C(NCCCl)NNC(=O)c1cc(-c2cccs2)nc2ccccc12	3225610	JZJDJMJQKRHSKR-UHFFFAOYSA-N	374.853	3.146	50	40	FGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1C	59334477	HKYHGMBQEUDSPT-BOPFTXTBSA-N	365.433	3.184	50	40	FGGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1cccc(N)c1	5249857	DNDCWAMZUSDOBB-LFVJCYFKSA-N	359.429	3.045	50	40	FGGB	
N#CC1=C(SCc2cccc([N+](=O)[O-])c2)NC(=O)C[C@@H]1c1ccco1	409135234	XSGAFHPQMPMGCE-ZDUSSCGKSA-N	355.375	3.460	50	40	FGGB	
CC1=C[C@@H](Br)[C@H]2C[C@]1(C)CN2S(=O)(=O)c1ccc(C)cc1	43761567	KKAAOEXFXUARSR-BZUAXINKSA-N	370.312	3.488	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C(C)C)cc2)cc1OC	704603	QIKHIYZISLLNKJ-CIAFOILYSA-N	356.422	3.356	50	40	FGGB	
COC(=O)c1cccc2[nH]cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c12	61719020	XYNIUGCKTNTJHC-FMIVXFBMSA-N	361.357	3.206	50	40	FGGB	
CCc1cc(C)cc(OCCOc2ccccc2/C=C(/C#N)C(N)=O)c1	4576077	SMEMGVPOIQHKBG-AQTBWJFISA-N	350.418	3.408	50	40	FGGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)NCc1ccccc1	409046369	KHLFWCMRDJQBSJ-OVCLIPMQSA-N	370.792	3.027	50	40	FGGB	
COC(=O)CCCc1nc2cc(N(CCCl)CCCl)ccc2n1C	67664931	CFNXGULFAQAFAB-UHFFFAOYSA-N	372.296	3.353	50	40	FGGB	in-vitro
C[C@@H](Oc1ccc(Br)cc1)C(=O)N/N=C\c1ccccc1O	82064126	YIETXMNRHGUAJJ-IPHDDYSGSA-N	363.211	3.072	50	40	FGGB	
CCN1CC=C2[C@H](C1)[C@H](c1ccc(Cl)cc1)C(C#N)=C(N)C2(C#N)C#N	664333	VHRXMNZCQHBQEN-FUHWJXTLSA-N	363.852	3.085	50	40	FGGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(CC(N)=O)c2ccccc12	6568228	OOHMLCKXOHQPAG-WJDWOHSUSA-N	372.428	3.235	50	40	FGGB	
CC[C@@H](Oc1ccccc1)C(=O)NNC(=O)c1cc2ccccc2cc1O	6541490	ONAOJHDWROLOEI-LJQANCHMSA-N	364.401	3.164	50	40	FGGB	
C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccccc1	4675707	CBPLYQHOYNDADX-FPLPWBNLSA-N	372.240	3.227	50	40	FGGB	
COc1cc([N+](=O)[O-])cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1O	408746379	YRXKBFOGFQTALE-QPEQYQDCSA-N	353.334	3.163	50	40	FGGB	
CCN(CC)c1ccc(/C=N\NC(=O)COc2cccc3cccnc23)o1	409021654	RZBKTGWJZPBLHH-XKZIYDEJSA-N	366.421	3.203	50	40	FGGB	
CCOc1cc2c(cc1/C=C(\C#N)C(=O)Nc1cccc(OC)c1)OCO2	409097868	MUQVPZQNWACHRY-VGOFMYFVSA-N	366.373	3.368	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSc2ccc(C)cc2)cc1[N+](=O)[O-]	40961762	QMOXVBSTJUZULJ-VCHYOVAHSA-N	359.407	3.154	50	40	FGGB	
CCCc1n[nH]c2c1[C@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2	4312355	GPJGTAXOUCFKPH-CYBMUJFWSA-N	364.327	3.479	50	40	FGGB	
Cc1cc(OCCCOc2cccc(/C=N/NC(N)=O)c2)ccc1Cl	13942994	FOTLCWCOXQYCQL-CIAFOILYSA-N	361.829	3.499	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2cncn2-c2ccccc2)oc2ccccc12	16500772	UUYQPBRQNPDDCY-UHFFFAOYSA-N	360.373	3.002	50	40	FGGB	
COc1ccccc1/C=C/C=N/NC(=O)CSc1nc2ccccc2[nH]1	8625427	QJJCPTYPZDZYED-HOGMWEGNSA-N	366.446	3.479	50	40	FGGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccncc3)o2)c([N+](=O)[O-])c1	408719525	RPMAAYWUYNBFEQ-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
Cc1noc(C)c1CCC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21287438	VZUUDQMZXJLEQB-UHFFFAOYSA-N	372.303	3.294	50	40	FGGB	
O=C(NN=C1CCCC1)c1nc2ccccc2c(=O)n1Cc1ccccc1	408881460	MIPDTHWOMADREM-UHFFFAOYSA-N	360.417	3.105	50	40	FGGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)CSCc2ccccc2)cc1	408720087	RUKHKIKOXYIGKD-KGENOOAVSA-N	355.463	3.419	50	40	FGGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccccc1C(=O)O	5771048	VSCVGRHRSCCRAL-VZUCSPMQSA-N	370.748	3.313	50	40	FGGB	
Cc1cc(C)c(OCC(=O)N/N=C\c2ccc(C)o2)c(Br)c1	20103163	LOYZTUCRKRLOQA-LSCVHKIXSA-N	365.227	3.496	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OC	658009	CLGGCLJBWAGLMX-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
CCn1c(C)cc2c(c1=O)[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2	2346335	LDYRNLFWUCUIMO-MRXNPFEDSA-N	353.447	3.117	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccccc1F	409101197	AJNFOKBNNRRFQT-LPYMAVHISA-N	371.412	3.207	50	40	FGGB	
O=C(NNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1O	6633579	CCQGAWRVOFKSAK-UHFFFAOYSA-N	355.341	3.042	50	40	FGGB	
O=C1Nc2ccccc2/C1=N/NC(=O)C(c1ccccc1)c1ccccc1	3031613	SEUDVCJQLBFTGY-UHFFFAOYSA-N	355.397	3.291	50	40	FGGB	
O=C(N/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(F)cc1	13922167	NMGVJQOQGHWBJU-UFWORHAWSA-N	354.168	3.221	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	96663245	KFVCITFUICJSPT-AUWJEWJLSA-N	365.345	3.432	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCC2)cc1	36843799	QVRQCKSXVPPXBU-FYJGNVAPSA-N	357.841	3.469	50	40	FGGB	
O=C(CCCC(=O)Oc1ccc([N+](=O)[O-])cc1)Oc1ccc([N+](=O)[O-])cc1	4323057	IOIJXIHQQRSQDS-UHFFFAOYSA-N	374.305	3.184	50	40	FGGB	
CCCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)=C(N)O1	1446324	FLNQDMJBAYNJNN-OAHLLOKOSA-N	357.366	3.020	50	40	FGGB	
CCn1c(C)nc2cc(C(=O)NNC(=O)CCc3ccc(C)cc3)ccc21	10165488	LCPZGJPDAMFFPM-UHFFFAOYSA-N	364.449	3.067	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/C=C/c1ccc2c(c1)OCO2	4150719	GXHHIXOMDWKERN-FXIKFWFJSA-N	368.389	3.008	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1ccc(F)cc1	4357592	RJVJESHMKOUMMF-ZMOGYAJESA-N	373.387	3.444	50	40	FGGB	
O=c1c2ccccc2n2c(CCl)nnc2n1Cc1ccccc1Cl	408712693	IZHXYTAZMSBMEC-UHFFFAOYSA-N	359.216	3.485	50	40	FGGB	
C=C/C=N/NC(=O)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C	408736848	JDKLKQWQNRLBSQ-KMUCBOENSA-N	363.461	3.247	50	40	FGGB	
CCN(CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)CCl	79392687	VYMKTEVSNMGJDW-UHFFFAOYSA-N	352.862	3.123	50	40	FGGB	
Cc1ccc(C(=O)N/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1	5093720	CEAWWNJSFRAZOB-UHFFFAOYSA-N	372.222	3.152	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CSCc2ccccc2C)c1OC	1421718	MQSNOAXJGXXNPF-RGVLZGJSSA-N	358.463	3.396	50	40	FGGB	
CCOc1ccc(OCC)c([C@H]2C(C#N)=C(N)Nc3cc(O)ccc32)c1	2294951	HWKQJPUJZAXPLR-IBGZPJMESA-N	351.406	3.441	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)C1CCN(c2ccc(Cl)cn2)CC1	103190462	ITJFJSNEKLYBDH-UHFFFAOYSA-N	361.785	3.465	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1cc(Br)c(O)cc1O	408718777	IHVAGGMSWGNIES-BMLBKTDQSA-N	367.243	3.137	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)cc1	408760585	BFIBOYHWDYFUJZ-SSDVNMTOSA-N	364.323	3.324	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c([N+](=O)[O-])cc1OC	212115266	RYZSPEXZEQRMDH-GHXNOFRVSA-N	371.324	3.297	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)COc1ccccc1Cc1ccccc1	5823766	UGBOGPDKVCVRPO-UHFFFAOYSA-N	364.401	3.019	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)c1	6189216	WFROADFWUGUDFH-LPYMAVHISA-N	362.433	3.321	50	40	FGGB	
COCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	4994048	LSUMTJDONBWTHW-XDHOZWIPSA-N	351.450	3.381	50	40	FGGB	
O=C(NNC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1cc(-c2ccco2)nc2ccccc12	102242929	DMQNAMHZQUSVOZ-OFQRWUPVSA-N	373.412	3.468	50	40	FGGB	
O=C(NNC(=O)c1cccs1)c1ccc(C2SCCS2)cc1	6451518	KZPFGSYPPHWUPH-UHFFFAOYSA-N	350.490	3.302	50	40	FGGB	
O=C(NCC[C@@H]1c2ccccc2CCN1C(=O)CCl)C1CCCCC1	4014021	WWQJZOAYSYJSFZ-GOSISDBHSA-N	362.901	3.438	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)N[C@@H](C)c2ccccc2)cc1	4523556	XQTMRHCJQYPOST-WXUSHSQQSA-N	353.422	3.068	50	40	FGGB	
CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)cc2)C(C#N)=C(N)O3)cc1	6733515	OBQDGSURWPOOEY-KRWDZBQOSA-N	374.400	3.399	50	40	FGGB	
COc1cc(/C=C(\C#N)c2nnc(-c3ccccc3)n2C)cc2c1OCO2	96310951	AUTIIQBEHPUZDB-OVCLIPMQSA-N	360.373	3.284	50	40	FGGB	
CN(Cc1ccsc1)C(=O)CSC1=C(C#N)C(C)(C)[C@H](C#N)C(O)=N1	7693040	FZJMKOQMAZTIIV-GFCCVEGCSA-N	374.491	3.311	50	40	FGGB	
O=C(NNC(=O)c1cccs1)c1cc(-c2ccc(Cl)s2)on1	89799925	MFXUNCJJIVLXEL-UHFFFAOYSA-N	353.812	3.193	50	40	FGGB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CCSc1ccccc1	409001708	QQEJBKWFEMFDQP-CPNJWEJPSA-N	372.450	3.293	50	40	FGGB	
Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=N/NC(=O)c2ccco2)c1C	408993380	DMZOFWIILHGUPN-SRZZPIQSSA-N	365.389	3.458	50	40	FGGB	
CC1(C)Oc2ccc(C(=O)N/N=C/c3ccccc3Cl)cc2NC1=O	35291254	VYISPJJHEHMYPS-KEBDBYFISA-N	357.797	3.213	50	40	FGGB	
C/C=C1\C[N+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	2109494	BDPFMCBRYUSSOJ-ZCAWPDOLSA-O	351.470	3.487	50	40	FGGB	
COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1O[C@H](C)C(=O)O	15013640	KNMWKQKLJDJRHB-HLVNSREUSA-N	363.373	3.488	50	40	FGGB	
COc1ccc(CC(=O)N/N=C(/C)c2cccc(NC(=O)C3CC3)c2)cc1	654521	WEFHSWDRUHXLJV-UCQKPKSFSA-N	365.433	3.127	50	40	FGGB	
CC(=O)Oc1ccccc1C(=O)N(N)CCSc1ccc(Cl)cc1	1713958	GTHRIFKBVBUFSW-UHFFFAOYSA-N	364.854	3.374	50	40	FGGB	
O=C(Cn1c(-c2ccccc2)cc2ccccc21)NNC(=O)c1ccccn1	7909521	HZPDDFXAAYLGPW-UHFFFAOYSA-N	370.412	3.165	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@@H](c2ccccc2)C2=C1CC(C)(C)CC2=O	409132557	KDIXFEOWJUQICX-GOSISDBHSA-N	351.450	3.069	50	40	FGGB	
COC(=O)[C@@H](C)c1ccc2cc(OC(=O)CBr)ccc2c1	114080626	KTFXVIASZNAEON-JTQLQIEISA-N	351.196	3.417	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1	38704481	YXFHYECMVDGQBM-SQFISAMPSA-N	367.405	3.061	50	40	FGGB	
CCOc1cccc(/C=N\NC(=O)c2cccc(Br)c2)c1O	30826578	OEIQNQUBSBXMFV-ZDLGFXPLSA-N	363.211	3.317	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1OCC	669128	NFRDIXKFSFYSQM-DEDYPNTBSA-N	371.393	3.085	50	40	FGGB	
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)ccc1O	8812551	YTQZDUFRVIBXFA-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)[C@H]2CCCN(C(=O)C(F)(F)F)C2)C1	12346479	MACFFDSUHXLTPQ-JQKYYTRCSA-N	371.403	3.192	50	40	FGGB	
Cc1c(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2F)oc2ccccc12	9155112	FYWRHGHQJZEMBD-LSDHHAIUSA-N	352.365	3.445	50	40	FGGB	
CSCC[C@@H](NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccccc1	5003109	BZRLUNMUKBEJMD-GNFOSXPUSA-N	369.490	3.079	50	40	FGGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N\NC(=O)c2cccc(O)c2)o1	408961034	QCBLYBZMKDHYPD-NHDPSOOVSA-N	364.357	3.423	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1OCC#N	408797730	SOBDKQNFQNSNKP-RVDMUPIBSA-N	363.373	3.239	50	40	FGGB	
COc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc(Cl)c1OC	36223900	IFDCREFBGGAZPC-JMIUGGIZSA-N	350.777	3.189	50	40	FGGB	
N#CCOc1ccc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1	35088496	PFYPNESGNHUNDD-JAIQZWGSSA-N	364.317	3.007	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(NC(C)=O)cc2)cc1Cl	6155788	QYYKDFIRAYZYRY-RGVLZGJSSA-N	359.813	3.461	50	40	FGGB	
Cc1ccc(-c2nnc3n2C[C@H](CI)S3)cc1	783490	RJXJTWDAUHWNOC-JTQLQIEISA-N	357.220	3.163	50	40	FGGB	
Cc1cccc(NC(=O)[C@@H](C)SC2=C(C#N)C(C)(C)[C@H](C#N)C(=O)N2)c1	7581746	DFTVJKQPWYDJCF-TZMCWYRMSA-N	368.462	3.086	50	40	FGGB	
Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(N)=O	3572381	DDZCMTOTDFJNOT-BLLMUTORSA-N	360.632	3.202	50	40	FGGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1	5356548	AXBNJBGRSUEDHE-JLWFYQMASA-N	356.447	3.019	50	40	FGGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1	8628357	XYGQLXMWDANPRN-QGZVFWFLSA-N	373.416	3.479	50	40	FGGB	
COc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc(O)c1O	13056791	GVPKBBTXEWEVNF-AWNIVKPZSA-N	365.794	3.098	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc(C)c1O	6202640	TUFAJXISBRZVKO-GIJQJNRQSA-N	359.407	3.160	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c1	8339532	GCBMQVQJSSPTRC-UFFVCSGVSA-N	352.312	3.487	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1	1786669	RDSWWDUAAFOOEC-JAIQZWGSSA-N	350.334	3.322	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)cc(Cl)c1O	108167458	ANPDSRCNOPRMPL-LSCVHKIXSA-N	368.176	3.300	50	40	FGGB	
CC1CCN(C(=O)[C@@]23CC[C@@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1	8914879	BWDCQGOQXIOZPI-AFAVFJNCSA-N	356.304	3.404	50	40	FGGB	biogenic
C=CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	408858228	NQCADUYCVQEDDD-DEDYPNTBSA-N	369.377	3.322	50	40	FGGB	
C=CCOc1ccc(C(=O)N/N=C/c2ccc(OC)c(OC)c2OC)cc1	3089574	RQUKWSIQBDRIAK-FYJGNVAPSA-N	370.405	3.041	50	40	FGGB	
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccncc1)C(C#N)=C(N)O2	629592	VCXICXJQDSXXEZ-QGZVFWFLSA-N	363.808	3.447	50	40	FGGB	
COCc1n[nH]c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	989023	MBAVNFOUIYFGOG-NSHDSACASA-N	351.193	3.081	50	40	FGGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1	7928883	AJMXLJHUUQJNIW-LLVKDONJSA-N	360.753	3.207	50	40	FGGB	
Fc1ccc(NC2=NC[C@@H](CI)S2)c(F)c1	1649991	ZHLNUNGPKXMIBM-SSDOTTSWSA-N	354.163	3.283	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1	104846529	DNWRULMXVWEXJP-YDZHTSKRSA-N	372.428	3.016	50	40	FGGB	
C[C@H](Cl)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl	3886425	LICNTNAKLWEGRL-JTQLQIEISA-N	365.282	3.080	50	40	FGGB	
CCOc1cc(Br)cc(/C=N/NC(=O)c2cccs2)c1O	4132780	WUOKCBZAJCYDTC-LZYBPNLTSA-N	369.240	3.379	50	40	FGGB	
C/C(=N\NC(=O)C(O)(c1ccccc1)c1ccccc1)c1ccc(O)cc1	5125403	QYIDYAUWORYPKT-XQNSMLJCSA-N	360.413	3.169	50	40	FGGB	
O=[N+]([O-])/C(Br)=C/P(=O)(OCCCl)OCCCl	100373476	APNOLERCCQWGGJ-AATRIKPKSA-N	356.924	3.161	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)CC(=O)NCc2ccc(Cl)cc2)cc1	103747819	IPQZEYVCNBDNQH-LPYMAVHISA-N	373.840	3.161	50	40	FGGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(O)c(Br)c2)c1	1444811	FHYWYZSXUAUDFJ-DJKKODMXSA-N	362.227	3.025	50	40	FGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1	408782282	GQYBWXWQMFHMQR-WQRHYEAKSA-N	365.433	3.312	50	40	FGGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc3c(cc2OC)OCO3)c1	409074909	OAVHHGRTSAOHJG-VGOFMYFVSA-N	366.373	3.368	50	40	FGGB	
O=C(NNS(=O)(=O)c1cccc2cccc(Cl)c12)c1ccccc1	35685446	BGGXCMUDTWMMKW-UHFFFAOYSA-N	360.822	3.117	50	40	FGGB	
O=[N+]([O-])c1cc(I)c(F)cc1CBr	169801418	IWRXLJHPSSHCIY-UHFFFAOYSA-N	359.920	3.233	50	40	FGGB	
NNC(=O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12	5955536	YJGBIQZHRFJUOA-UHFFFAOYSA-N	359.480	3.014	50	40	FGGB	
Cc1n[nH]c2c1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)C(C#N)=C(N)O2	709316	DKWWNBVEQMVVCO-GOSISDBHSA-N	372.384	3.156	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c2C)cc1C	58911408	SYWCBGVWDHGQOD-WSDLNYQXSA-N	368.481	3.076	50	40	FGGB	
O=C(N/N=C/c1cccs1)C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	55252912	VZEYPHNWEQTXTE-XDHOZWIPSA-N	372.450	3.019	50	40	FGGB	
C=CCOc1cccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)c1	59515543	VEDQCNJNFLQMGN-CIAFOILYSA-N	371.824	3.302	50	40	FGGB	
O=C(COc1ccccc1-c1ccccc1)NNC(=O)[C@H]1CC=CCC1	12993558	QFIBRFSKZDUIQL-KRWDZBQOSA-N	350.418	3.236	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(Br)cc1	28216561	WDJQMAHGAZBNNA-VXLYETTFSA-N	359.227	3.220	50	40	FGGB	
COc1cccc(C(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)c1	408952987	NPLOHHQYYXIGDN-PXLXIMEGSA-N	362.433	3.316	50	40	FGGB	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC3(CC2)OCCO3)cc1	43915930	FRHINNWBTYIRGV-UHFFFAOYSA-N	367.449	3.497	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1	7061313	QXUZXHJTAPEUCL-MKMNVTDBSA-N	365.345	3.486	50	40	FGGB	
C/C(=N/NC(=O)CCCCCNC(=O)c1ccccc1)c1ccccc1O	100840673	UULBVFIJAPXLBJ-KQWNVCNZSA-N	367.449	3.223	50	40	FGGB	
COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1ccccc1	32594251	ODDBKXLIEVSWQI-UHFFFAOYSA-N	351.362	3.194	50	40	FGGB	
COCCCNC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	6579783	BWOCFNZAUJCMNT-XMHGGMMESA-N	350.418	3.325	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)[nH]c2ccccc32)cc1	8018424	VVXVRVJSFAOCOO-KRWDZBQOSA-N	359.385	3.145	50	40	FGGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccc(I)cc1	29107998	ZBMWKNCVFVCJHM-CSKARUKUSA-N	364.142	3.430	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1	6189205	OVUUZZYGGAEUAV-LPYMAVHISA-N	362.433	3.321	50	40	FGGB	
CC(C)OC(=O)C1=C2c3ncccc3ON2[C@H](Cl)[C@H](Cl)[C@@H]1Cl	4235753	AZMWZRYVVDPMLS-BREBYQMCSA-N	363.628	3.147	50	40	FGGB	biogenic
CCOC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(CCCC2=O)N1	100983387	PJPQZONXUFIWGK-MRXNPFEDSA-N	358.419	3.005	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)COc1ncnc2scc(-c3ccccc3)c12	105804894	QDSCADAYODVZBD-QBFSEMIESA-N	350.403	3.062	50	40	FGGB	
CCc1cc2c(C)ccc(C)c2nc1SCC(=O)NNC(=O)C(C)C	4849475	NHZYNOCBMNIEDM-UHFFFAOYSA-N	359.495	3.310	50	40	FGGB	
Cc1cc(C)c(OCC(=O)NNC2=C(C(=O)C(F)(F)F)CCC2)c(C)c1	408952889	KVIGOOGOIJVQDL-UHFFFAOYSA-N	370.371	3.181	50	40	FGGB	
C[C@]12CC(=O)[C@@]3(SC#N)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O	118924928	NYLSSGDLLZSDSA-UXTPAWKISA-N	359.491	3.395	50	40	FGGB	
C#CCn1c(C)c(/C=N\NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21	408567762	POOHFPJZLQDOMS-BKUYFWCQSA-N	360.373	3.255	50	40	FGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	408743486	GDJTWRVOXBIDBY-WJDWOHSUSA-N	350.374	3.093	50	40	FGGB	
CCOC(=O)COc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1	33304957	ZYNUQBYUHQQJFK-MTJSOVHGSA-N	366.373	3.139	50	40	FGGB	
O=C(N/N=C/c1ccc(Oc2nc(Cl)ncc2F)cc1)c1ccncc1	2185206	NUXCVCCIKHNLAQ-LSFURLLWSA-N	371.759	3.220	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C\c2ccc(OC)c(OC)c2)c(C)c1	32929298	ZBJBFWAJPLKWMM-HMAPJEAMSA-N	370.449	3.494	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc4c(c3)OCO4)c2[C@H]1c1cccs1	846363	VCADBVSOQJIBTB-CQSZACIVSA-N	364.386	3.085	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCCC2)o1)c1ccccc1Br	59138206	DZRXJEASEKZJET-WOJGMQOQSA-N	362.227	3.406	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1	59515271	AYKQWYRNWSJQSM-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2cc(Cl)cc(Cl)c2O)cc1OC	4699148	RPQWEZKPMGAVCC-UFWORHAWSA-N	369.204	3.480	50	40	FGGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(N2CCCC2)cc1	4106721	CWKASOQCXGHDHW-FYJGNVAPSA-N	357.841	3.469	50	40	FGGB	
C/C(CC(=O)Nc1ccc(F)cc1F)=N\NC(=O)Cc1cccs1	101960468	WUOBVTOZPWAUIC-KEBDBYFISA-N	351.378	3.090	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1cccc(Cl)c1)C1CCCCC1	17150075	KEBLNFAVRRYNKU-UHFFFAOYSA-N	370.844	3.492	50	40	FGGB	
CCOc1cc(/C=N/NC(C)=O)ccc1OCc1cccc([N+](=O)[O-])c1	409020271	NJFORRYXDXUMAW-YBFXNURJSA-N	357.366	3.043	50	40	FGGB	
Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)c(C)o1	408859896	VDWCNQHRAXVXNU-CAOOACKPSA-N	351.200	3.188	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCCc2ccccc2)cc1OC	408725834	IKXUVYUGTQURJG-DEDYPNTBSA-N	358.463	3.130	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(=O)O)cc1)C(=O)Nc1cccc(Cl)c1	5631974	LQTYOOCYUXVUQO-MDWZMJQESA-N	356.765	3.349	50	40	FGGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N\NC(=O)c1cc(C(C)(C)C)n[nH]1	12362445	BBAGLFJHRGVVDB-YYRVAAGNSA-N	354.410	3.255	50	40	FGGB	
C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2nc3ccccc3n2C(N)=C1C#N	20086191	IPRJRBKTYBATJO-BLVKFPJESA-N	373.416	3.089	50	40	FGGB	
O=C(COc1ccc(-c2ccccc2)cc1)NNC(=O)Cc1cccs1	2615917	YAORAVJQDVDOBF-UHFFFAOYSA-N	366.442	3.184	50	40	FGGB	
O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)Nc1ccccc1	8754210	ZCOGBNNXKXCRTI-UHFFFAOYSA-N	360.222	3.008	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(SC)NC3=C2C(=O)CCC3)cc1OC	19690953	VUUZOMLEUHVQCO-QGZVFWFLSA-N	356.447	3.496	50	40	FGGB	
COC(=O)c1ccc(C(=O)NNc2nc3c(Cl)cccc3s2)cc1	4121365	FGSJGZCTIJMVNJ-UHFFFAOYSA-N	361.810	3.493	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccc(Cl)cc1	3273759	BLPCBPUSPPHAFU-UKTHLTGXSA-N	373.796	3.148	50	40	FGGB	
O=C(N/N=C1/[C@@H]2[C@H]3[C@@H]4[C@H]1[C@H]1C[C@H]4[C@@H]([C@@H]3Br)[C@H]12)Nc1ccccc1	104202647	FBZBNONCKRZHGH-JBZPLEBXSA-N	372.266	3.315	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/c2cc3c(cc2Cl)OCO3)cc1C	1435419	PUCUUSJPDSYVQY-DNTJNYDQSA-N	360.797	3.215	50	40	FGGB	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(N2CCOCC2)nc1	46552073	BTHSCHVLIBLPDQ-UHFFFAOYSA-N	374.444	3.401	50	40	FGGB	
Cc1nn(Cc2ccccc2)c(C)c1/C=N/NC(=O)CNc1ccccc1	7008955	UOLLWSNCPLVAKL-YDZHTSKRSA-N	361.449	3.110	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C\[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1	408745484	MQRANAUACGSINN-RYBIEJRYSA-N	374.400	3.123	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(I)o1	408721191	MACPNCVFFIAHMQ-QJXNODSHSA-N	372.206	3.161	50	40	FGGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCO2	4865082	SMWGFMICYWYMNI-FYJGNVAPSA-N	362.389	3.002	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)[C@@H](O)c1ccccc1	1105232	GWPLMOHHPFOWDU-TYJAPOHBSA-N	365.345	3.039	50	40	FGGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)c1ccccc1OC	9886647	PXYXRVVXOYTANW-PXLXIMEGSA-N	367.449	3.458	50	40	FGGB	
Cc1ccc(-c2nc(C)sc2CC(=O)NNC(=O)c2ccccc2)cc1	2626242	NMBVGEPLAOFSLC-UHFFFAOYSA-N	365.458	3.431	50	40	FGGB	
N#CC1=C2SC[C@](O)(c3ccco3)N2C(=O)C[C@@H]1c1ccc(F)cc1	12275306	XREZZXCKUMNOGZ-ACJLOTCBSA-N	356.378	3.062	50	40	FGGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c(C)c1	4209479	UTLXGRIJCVPJQR-LFVJCYFKSA-N	374.440	3.390	50	40	FGGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cccnc2)o1	17145974	FTASXAPNAPPAEC-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1	3527338	MAZBGEYYNYZLGT-KEBDBYFISA-N	369.377	3.385	50	40	FGGB	
CC(C)=CC(=O)NNC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1	40489325	OQMNBRMDNUEOEY-UHFFFAOYSA-N	370.478	3.113	50	40	FGGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)c1ccc(C)cc1	4697871	WYECJARCKBLRHX-PXLXIMEGSA-N	352.438	3.196	50	40	FGGB	
C[C@]12CC[C@H]([C@@H](Br)C1=O)[C@@]2(C)CI	108380222	RRHSBISFIQTULS-GTDKDYCYSA-N	357.029	3.190	50	40	FGGB	
CCOC(=O)c1ccc(C(=O)[C@@H](Br)CBr)s1	309549497	JQWCBOUMKZEGEJ-LURJTMIESA-N	370.062	3.266	50	40	FGGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1cccc(Cl)c1	409068481	GNWSDHHHNAECFJ-FYJGNVAPSA-N	357.841	3.249	50	40	FGGB	
N#C/C(=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1)C(N)=O	408870824	WYXNOQWZKMHOSN-NTUHNPAUSA-N	357.753	3.219	50	40	FGGB	
CN1C(N)=C(C#N)[C@H](c2cccc(Br)c2)C2=C1CCCC2=O	409147991	NZJJWZXVORDOQX-HNNXBMFYSA-N	358.239	3.179	50	40	FGGB	
O=C(Nc1ccccc1C(=O)N/N=C\c1cccc(O)c1)c1ccccc1	31949131	RRKSKQXVXPBQHG-HMAPJEAMSA-N	359.385	3.408	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](O)c1ccccc1	14134690	PFWGXDBNXUFSRC-VQYZLWMVSA-N	358.397	3.036	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C(\C)Cc1ccc(OC)cc1	5504746	MEJOGMIBMSEBBK-RCCKNPSSSA-N	356.422	3.208	50	40	FGGB	
CSc1nc(NNC(=O)C2CC2)c2c3c(sc2n1)COC(C)(C)C3	2414513	OWECOHAGSBNLSH-UHFFFAOYSA-N	364.496	3.118	50	40	FGGB	
Cc1ccc(C(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1	2135414	AXZYDIKXMNFXCP-UHFFFAOYSA-N	369.490	3.242	50	40	FGGB	
O=C(COc1cccc2ccccc12)NNC(=O)c1ccc(Cl)cc1	4550183	ZHSULLPOQRBSOY-UHFFFAOYSA-N	354.793	3.333	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2cc(C(C)(C)C)ccc2O)cc1OC	4515230	JXIOXSXEZTXUFY-LPYMAVHISA-N	370.449	3.400	50	40	FGGB	
CC/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccc(OC)c(OC)c1	408866223	GQHRMDLZYWDFSO-HMMYKYKNSA-N	371.393	3.465	50	40	FGGB	
CC(C)(C)c1ccc(C(=O)NNC(=O)COc2ccccc2Cl)cc1	5840013	YFIWCXDKUJGRFX-UHFFFAOYSA-N	360.841	3.478	50	40	FGGB	
C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccc([N+](=O)[O-])cc1	19861242	RFFARASQSDYGOG-ODLFYWEKSA-N	370.390	3.369	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1OC	1424873	JWEWTKOSJZFEFO-MQMKENTISA-N	358.463	3.476	50	40	FGGB	
CC1=CC(=O)[C@@H](Cl)[C@@](C)(Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1	1797975	LFHTVIZLZIQDHD-NLDRDZRNSA-N	360.262	3.259	50	40	FGGB	
Cc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)c(C)n1C	408785428	ZIARFUQVRIVIGV-UWVJOHFNSA-N	354.237	3.478	50	40	FGGB	
Cc1[nH]c2ccc(C(=O)NNC(=O)c3cc(-c4ccccc4)n[nH]3)cc2c1C	9378306	SNFAPYUZQNHWFL-UHFFFAOYSA-N	373.416	3.250	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c1	36020557	CLGXFSJQQLUWHP-KEBDBYFISA-N	371.393	3.261	50	40	FGGB	
O=C(NNc1ncnc2ccccc12)c1cc(-c2ccc(F)cc2F)[nH]n1	1775971697	ZACMFQRYKVLKGB-UHFFFAOYSA-N	366.331	3.055	50	40	FGGB	
CCc1ccc(CCC(=O)NNc2nc3ccccc3c(=O)n2CC)cc1	11159239	VLJODXIBOXEAQB-UHFFFAOYSA-N	364.449	3.055	50	40	FGGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/[C@@H]3CCOC3)cc12	54278926	QCTLDTQREGEZMM-UZPSYVQNSA-N	354.435	3.148	50	40	FGGB	
CCc1ccccc1NC(=O)N/N=C\c1ccc(O[C@@H](C)C(=O)O)cc1	408821856	KXDHQMVUQZDQSW-RQZLXBNYSA-N	355.394	3.257	50	40	FGGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCC(C)C	409148477	PXXYDPUZHOKFGN-GOSISDBHSA-N	368.437	3.370	50	40	FGGB	
CC(C)N(C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CCl	79392709	OFVCZJGGIOWEKJ-MRXNPFEDSA-N	352.862	3.121	50	40	FGGB	
CCOc1ccc(NC(=O)C/C(C)=N/NC(=O)Cc2cccs2)cc1	4904253	NRLYNEUNJDLOIK-DEDYPNTBSA-N	359.451	3.210	50	40	FGGB	
Cc1ccccc1/C=N/NC(=O)c1ccc(I)cc1	10118574	NTWNZTHTTWNGRI-LICLKQGHSA-N	364.186	3.364	50	40	FGGB	
C[C@H](NC(=O)C(=O)N/N=C/c1cccc(Cl)c1Cl)c1ccccc1	3085158	IGPGDDYJGFNUEI-KKBVUKDESA-N	364.232	3.321	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cc(OC)ccc2O)cc1	1453983	MADVXBCOFXCJEQ-XNTDXEJSSA-N	366.373	3.123	50	40	FGGB	
COc1cc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)ccc1O	4592485	NCOKRLSAPFPVGS-INIZCTEOSA-N	360.373	3.009	50	40	FGGB	
Cc1ccccc1C(=O)N/N=C/c1cc2c(cc1Br)OCO2	5620165	JGEPQBFXMLHBNS-QGMBQPNBSA-N	361.195	3.250	50	40	FGGB	
CN(C)NC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1	408976737	SVXZQNOBYQOODL-UHFFFAOYSA-N	368.400	3.086	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(OC)cc2)cc1[N+](=O)[O-]	409149848	SKDKPMGZURUKIF-DEDYPNTBSA-N	371.393	3.085	50	40	FGGB	
O=C(CCl)OC[C@@]1(c2ccccc2)C(=O)c2ccc(Cl)cc2C1=O	5604295	YXUSTRFMXQTOJU-GOSISDBHSA-N	363.196	3.439	50	40	FGGB	
C/C(CC/C(C)=N/NC(=O)c1ccccc1)=N\NC(=O)c1ccccc1	5725375	CTKRJCNYTUJMBI-YHARCJFQSA-N	350.422	3.378	50	40	FGGB	
O=C(CC(=O)Nc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(F)cc1	826162	KTFDGXYDYDMYCF-LSHDLFTRSA-N	367.302	3.323	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)c2cc(-c3ccc(OC)cc3)n[nH]2)cc1	9015322	JKYMZWCOHCFQEG-BKUYFWCQSA-N	364.405	3.248	50	40	FGGB	
O=C(NN[C@@H]1OC(=O)c2ccccc21)c1cc2ccc3ccccc3c2[nH]1	2432016	RUSIHVDNAGHTID-HXUWFJFHSA-N	357.369	3.425	50	40	FGGB	
C[C@@H](NC(=S)NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	6267637	WXQBVJREPILSGR-XXWNAHEMSA-N	357.523	3.459	50	40	FGGB	
C[C@@H](Sc1nnc2ccccn12)C(=O)C(C#N)=C1Nc2ccccc2N1	7297225	KYKXVHNGTJZGGE-LLVKDONJSA-N	362.418	3.052	50	40	FGGB	
CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N/N=C/c1ccc(Cl)cc1	408909509	USWJSFVCCSEJAC-RSZPVBOMSA-N	373.840	3.148	50	40	FGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccc(C)o2)o1	409367970	KMWDMLCWRPNUAN-RGVLZGJSSA-N	352.346	3.399	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Br)o1	33323513	URPSWMZDKXLCRI-APSNUPSMSA-N	357.591	3.225	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	33536034	KJGCRQNANOFMQB-RQZCQDPDSA-N	362.729	3.310	50	40	FGGB	
COc1cccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	33301391	YAVYGWNKWGKCLV-KQWNVCNZSA-N	360.413	3.081	50	40	FGGB	
Cc1ccc(C(=O)NN(C(=O)c2ccc(C)cc2)c2oc(C)nc2C#N)cc1	72238736	YCQQZXUWZDXTBT-UHFFFAOYSA-N	374.400	3.463	50	40	FGGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(N2CCCCC2)o1	83326029	YVQAQYHBERNCSM-ISPGYRLHSA-N	355.438	3.234	50	40	FGGB	
Cc1cccc(NC(=O)[C@H](C)SC2=C(C#N)C(C)(C)[C@@H](C#N)C(=O)N2)c1	12582638	DFTVJKQPWYDJCF-JSGCOSHPSA-N	368.462	3.086	50	40	FGGB	
CCCN(CCC)c1ccc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)cc1	14709037	NKYJHDASSFHDFG-DTQAZKPQSA-N	365.485	3.210	50	40	FGGB	
Cc1c(OC[C@@H](O)CCl)ccc2c(C)c(OC[C@@H](O)CCl)ccc12	1889128718	RHTQQSMGNUGGLB-KBPBESRZSA-N	373.276	3.414	50	40	FGGB	
CCN(CC)c1ccc(/C=N\NC(=O)CNc2ccccc2OC)cc1	30802605	KWMZHKICBQYBTB-HMAPJEAMSA-N	354.454	3.104	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)c1C	23358529	WANLYWQCBXMDMD-OEAKJJBVSA-N	365.477	3.208	50	40	FGGB	
O=C(CNc1ccc(F)cc1)NN=C1CCN(Cc2ccccc2)CC1	58141675	MBRDQFIVBHDXSJ-UHFFFAOYSA-N	354.429	3.006	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c3ncccc23)cc1	59459126	ZAQATBBTHWBISQ-UFFVCSGVSA-N	355.781	3.366	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2ccc(OC(F)F)cc2)oc2ccccc12	12776571	CSARNMBJPHDDJS-UHFFFAOYSA-N	360.316	3.417	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1	409099602	RFNXMGBUNAINDI-XYOKQWHBSA-N	356.363	3.006	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)/C1=C\NNC(=O)c1cccc2ccccc12	15906769	LIUWHCQAEKHTSP-ZHZULCJRSA-N	370.412	3.381	50	40	FGGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C1\C(=O)Nc2ccccc21	5648456	RYTHHRFAZSHSKL-UHFFFAOYSA-N	359.838	3.295	50	40	FGGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1O	2250376	SGMZOOMZYVJDQM-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
CC[C@@]1(C)Cc2c(sc3nc(SC)nc(NNC(C)=O)c23)CO1	2437089	DHWZVPLTDAUHLA-HNNXBMFYSA-N	352.485	3.118	50	40	FGGB	
Cc1cc(N2CCOCC2)ccc1/C=N/NC(=O)c1ccccc1Cl	4749734	FEKSVXPYDHGSLS-FYJGNVAPSA-N	357.841	3.249	50	40	FGGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccccc1Cl	7159142	IULBTFXJHWMTIH-UKTHLTGXSA-N	356.765	3.349	50	40	FGGB	
Cc1ccccc1C(=O)NNc1ncnc2c1cnn2-c1ccc(F)cc1	17135865	XYTMXYBJCNLSOF-UHFFFAOYSA-N	362.368	3.020	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2cccn2-c2ccccc2F)c(F)c1	408966950	OFCCSMILIBEELQ-FSJBWODESA-N	350.328	3.391	50	40	FGGB	
O=C(CCCl)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1	13571001	UFDJFNZWCPVZKV-UHFFFAOYSA-N	361.854	3.142	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)cc1C	205772300	HLUJIVKMPXVODA-FOWTUZBSSA-N	351.406	3.279	50	40	FGGB	
Cc1cc(O)cc(O)c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	3127212	PDGUIJJHDMTBCR-FBCYGCLPSA-N	369.204	3.242	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C(=O)O)c([N+](=O)[O-])c1	408922156	DNZJGLRABCUEBZ-UKTHLTGXSA-N	351.318	3.147	50	40	FGGB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNC(=O)c1ccccc1Cl	408528962	GMVWUKYUCZIHSI-WJDWOHSUSA-N	368.824	3.189	50	40	FGGB	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)C(=O)NC2=O	85879426	HDAIXNAFVRBPQN-NSHDSACASA-N	350.465	3.223	50	40	FGGB	biogenic
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)c1	96840544	CJOCOIZWIKFLGR-JYRVWZFOSA-N	353.334	3.245	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2	8018807	JBNKUCJSHBBDRQ-KEBDBYFISA-N	351.362	3.180	50	40	FGGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(N2CCCCC2)s1	7041358	VEMGHPUVWPDKBA-DEDYPNTBSA-N	367.478	3.458	50	40	FGGB	
N#C/C(=C\c1ccccc1OCC(=O)O)C(=O)Nc1ccc(Cl)cc1	7156277	KQBPSNCXCCUHBV-UKTHLTGXSA-N	356.765	3.349	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	6346427	PFCSVNWVQKWZOV-FZJZADEZSA-N	367.424	3.452	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1cccc(OCC)c1	8733201	LIMGRUUBSHEGSP-CQSZACIVSA-N	371.275	3.094	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(OC)c1O	3265894	FVZRQWRPNIERAE-BPKVKKHESA-N	352.390	3.194	50	40	FGGB	
COc1cc(N/C=C(\C#N)C(=O)Nc2ccccc2)cc(OC)c1OC	57413922	RWEBUSIUIJYUHA-OUKQBFOZSA-N	353.378	3.170	50	40	FGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=S)Nc2ccccc2)cc1C	4091478	AFCTWOZDCJMSKI-UHFFFAOYSA-N	370.478	3.040	50	40	FGGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N2CCOCC2)cc1)c1ccccc1	6182393	ADXSMTDZGBUCQT-MNTXUITRSA-N	361.445	3.308	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)cc1	30822652	ZFXLPXJUSPITGR-RBFBNPFJSA-N	371.393	3.343	50	40	FGGB	
C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1	36187457	STHPUSNGKMUUPG-VBHHZLGVSA-N	364.323	3.386	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O	7893465	RKYAQQKTKUFNAW-GIJQJNRQSA-N	363.757	3.116	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)c(O)c1	20248143	LOEUAESBZKYHMR-UDWIEESQSA-N	356.447	3.341	50	40	FGGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)C(=O)Nc1ccc(C(=O)O)cc1	408899970	RZAGXPMWSGOSPJ-LFYBBSHMSA-N	370.748	3.313	50	40	FGGB	
O=C(N[C@H]1CCCC[C@H]1N(C(=O)CCl)C1CC1)OCc1ccccc1	79392786	KIJJMGLKGMQRTM-DLBZAZTESA-N	364.873	3.454	50	40	FGGB	
CC(C)(O)[C@H](CCO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	195500453	VQJHELAMTAQHAQ-FQEVSTJZSA-N	372.581	3.085	50	40	FGGB	
C#CCOc1ccccc1/C=N/NC(=O)Cc1ccc(Br)cc1	13595748	SNXSBRXMIFXEFZ-DEDYPNTBSA-N	371.234	3.154	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cc1	15933652	GGKKFBQWCWHOLG-AWQFTUOYSA-N	356.765	3.219	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)Cc2c[nH]c3ccccc23)cc1OC	34184964	UWJHRHRFAVNLEP-WSDLNYQXSA-N	351.406	3.268	50	40	FGGB	
C[C@@H](NC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F)c1ccccc1	59434296	OMWNYYGGOJNMPL-VTGBELTLSA-N	363.339	3.033	50	40	FGGB	
O=C(Cc1cccc2ccccc12)NNS(=O)(=O)c1ccccc1Cl	12775714	PUVRIJFSTFOUMN-UHFFFAOYSA-N	374.849	3.045	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2cccc(OC)c2O)c(C)c1	4544191	OEKAEWPAMPKAPK-FYJGNVAPSA-N	356.422	3.191	50	40	FGGB	
CC(C)OC(=O)COc1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	409186939	JVLQLXOSSPHXGZ-SRZZPIQSSA-N	374.824	3.434	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OC(C)=O	4815532	ODKUBIIFLKJHHE-KEBDBYFISA-N	360.797	3.346	50	40	FGGB	
CCC[C@H](C(=O)OCC)/C(C)=N\NC(=O)COc1c(C)cc(C)cc1C	408947524	AYRWWZHWMRGHAD-TYYMKKSVSA-N	362.470	3.462	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)CNc2ccc3ccccc3c2)c1	1086731	HHSLDEVRYIWDBA-YDZHTSKRSA-N	363.417	3.419	50	40	FGGB	
O=C(N/N=C/c1ccccc1Cl)[C@@H](O)c1ccc(Br)cc1	3175055	ALZPVAVVEAIRIW-RMNBPEERSA-N	367.630	3.286	50	40	FGGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@H](Br)[C@@H](Br)C2)O1	5376631	XVHYWNFCTTTZAH-SQQIUAQRSA-N	362.489	3.294	50	40	FGGB	
CC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C(C)C)cc1	15423128	OLXHOJDGMMTIBP-CQSZACIVSA-N	355.276	3.428	50	40	FGGB	
N#CC(C#N)=C(O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1	17142244	HYKGCAPJMNDMGH-YVLHZVERSA-N	360.329	3.225	50	40	FGGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)c1C	7164345	XQIWAAFIDOPVPY-MHWRWJLKSA-N	350.374	3.313	50	40	FGGB	
COc1cc(/C=C/C(=O)NN)cc(Cl)c1OCc1ccccc1F	226335577	YUCUFLSYPRAHBM-VOTSOKGWSA-N	350.777	3.070	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(OC)c(OC)c2)c(O)c1	3576481	UUGKWTCUMPLHCH-FYJGNVAPSA-N	371.437	3.020	50	40	FGGB	
COC1(OC)OC(c2ccccc2)=C(C#N)[C@@H](c2ccco2)C1(OC)OC	4568240	MHTPWNLNFUXRSP-KRWDZBQOSA-N	371.389	3.264	50	40	FGGB	
ClC[C@H]1CO[C@@H]([C@@H]2CC[C@@H](Br)[C@H](Br)C2)O1	5376889	XVHYWNFCTTTZAH-JDDHQFAOSA-N	362.489	3.294	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	3071388	OGZKULSYILZXEU-ZVBGSRNCSA-N	369.730	3.448	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1[N+](=O)[O-]	5578949	RCEXSZMJHPXFTD-UHFFFAOYSA-N	371.437	3.271	50	40	FGGB	
CC1=C(C(=O)OCCCl)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1	4113675	NRGJLISSBOKTKV-GFCCVEGCSA-N	363.628	3.403	50	40	FGGB	
CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)Nc3cc(O)ccc32)c1	2294950	HWKQJPUJZAXPLR-LJQANCHMSA-N	351.406	3.441	50	40	FGGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)c1ccc(Cl)cc1Cl	100510158	HWQFYAGLNZIQAS-KEBDBYFISA-N	368.220	3.399	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1	825382	ZZFBTBDZXSUWSK-UHFFFAOYSA-N	353.422	3.054	50	40	FGGB	
Cc1cn2c(/C=C/C(=O)NNC(=O)c3ccccc3Cl)c(C)nc2s1	24713690	OKIVEPBYOGZNBM-BQYQJAHWSA-N	374.853	3.140	50	40	FGGB	
C[C@H](NC(=O)C(=O)N/N=C/c1c(Cl)cccc1Cl)c1ccccc1	6645985	PKDBYGYYVRSXRM-KKBVUKDESA-N	364.232	3.321	50	40	FGGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O	3664377	BCKTYTPGWISMID-VXLYETTFSA-N	366.333	3.028	50	40	FGGB	
CCc1n[nH]c2c1[C@@H](c1ccc(OC(F)(F)F)cc1)C(C#N)=C(N)O2	6785461	PEQGJGNKSFLELF-LBPRGKRZSA-N	350.300	3.089	50	40	FGGB	
Cc1cc(=O)[nH]c(SC[C@@H](CCl)Sc2ccc([N+](=O)[O-])cc2)n1	94992769	CVQBSYSGELFQGA-GFCCVEGCSA-N	371.871	3.478	50	40	FGGB	
Cc1cc(SCC(=O)N/N=C/c2cccnc2)nc2c(C)cccc12	871052	INKOBMVINAIGED-SRZZPIQSSA-N	350.447	3.489	50	40	FGGB	
C/C(CC(=O)Nc1cccc(F)c1)=N\NC(=O)c1cc(Cl)ccc1O	18181384	OOBPGNPIBWRHIW-UFFVCSGVSA-N	363.776	3.319	50	40	FGGB	
O=C(NNC(=O)c1ccc2ccccc2n1)c1ccc(Br)cc1	3323806	WREAOYSVQZSYIG-UHFFFAOYSA-N	370.206	3.072	50	40	FGGB	
CCc1ccccc1NC(=O)C/C(C)=N/NC(=O)COc1ccccc1C	4381052	FBNSNJHDMNSJHE-XQNSMLJCSA-N	367.449	3.457	50	40	FGGB	
C/C(CC(=O)Nc1ccccc1C)=N\NC(=O)COc1ccccc1C	4416390	BAPBHWVNYJNYRS-CJLVFECKSA-N	353.422	3.203	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)C21CCCCC1	100688321	OTXFIOLDVNKACJ-UHFFFAOYSA-N	359.495	3.137	50	40	FGGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)CCC(=O)NCc2ccccc2)C1	12403988	YWJNCZOBIFGNRW-BUIMCUSZSA-N	353.466	3.488	50	40	FGGB	
COC(=O)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12	1832536	MDTZGMNXXOBMAI-VXLYETTFSA-N	352.350	3.288	50	40	FGGB	
CCOC(=O)c1ccc(N2C=C(C#N)S(=O)(=O)c3c(F)cccc32)cc1	44167946	NURQPNDIURZLFQ-UHFFFAOYSA-N	372.377	3.293	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)Cc2nc(-c3ccccc3)cs2)cc1F	10600577	MYBWSZXJFFUDDU-UHFFFAOYSA-N	369.421	3.261	50	40	FGGB	
CCCOC(=O)CSC1=C(C#N)[C@H](c2ccc(CC)cc2)CC(=O)N1	9110445	FHLVDIPJFQETAJ-HNNXBMFYSA-N	358.463	3.274	50	40	FGGB	
C/C(=N\NC(=O)c1nn(C)cc1Br)c1ccc2ccccc2c1	5725323	ZUMITLSSOGUZDG-YBFXNURJSA-N	371.238	3.490	50	40	FGGB	
COc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2cccc(OC)c2)cc1	818306	HTXJXBIAZUHQER-KRWDZBQOSA-N	367.430	3.004	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Cl)c(O)c(Cl)c1	109268648	DPDBVOXXACFQQF-LSCVHKIXSA-N	368.176	3.300	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2cnn(-c3ccccc3C)c2C2CC2)n1	29781539	MBVMVNKKDMDCHK-UHFFFAOYSA-N	362.437	3.222	50	40	FGGB	
C[C@@H](Oc1ccc(/C=N\NC(=O)Nc2cccc(Cl)c2)cc1)C(=O)O	408815201	GXRMSNKCDMXDQW-XEQXHXIFSA-N	361.785	3.348	50	40	FGGB	
COc1ccc(-c2nc(C(=O)NNc3ccccc3[N+](=O)[O-])cs2)cc1	15631776	OMFBUPWTXAXZED-UHFFFAOYSA-N	370.390	3.484	50	40	FGGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)o1	408807513	CNWGCSPWQKWGGX-VBKFSLOCSA-N	353.422	3.358	50	40	FGGB	
CC(C)Oc1ccc(Br)cc1/C=N/NC(=O)c1cccnc1	408734633	AOBFRFUIFWMCJR-VXLYETTFSA-N	362.227	3.395	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3	40088762	DYIWLDIACNEGBJ-LLVKDONJSA-N	351.406	3.269	50	40	FGGB	
NNC(=O)c1cc(Cl)c2[nH]c(-c3ccccc3Br)nc2c1	226344052	GENSZTKCRNMKFS-UHFFFAOYSA-N	365.618	3.249	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2cc(Cl)c3cccnc3c2O)cc1	59459100	HMIAJLPOFPFWSK-UFFVCSGVSA-N	355.781	3.366	50	40	FGGB	
Cc1[nH]c2ccc(C(=O)NNC(=O)[C@H](C)Oc3ccc(F)cc3)cc2c1C	6661569	IPIQZDGNLXJTQE-ZDUSSCGKSA-N	369.396	3.152	50	40	FGGB	
O=[N+]([O-])c1ccc(S(=O)(=O)OC23CCC(CC2)C[C@@H]3CCl)cc1	3128031	ASEXREBOTPYZPZ-MQYJIDSJSA-N	359.831	3.488	50	40	FGGB	
C/C(=N\NC(=O)CN1CCCC1=O)c1ccc(Cl)c(Cl)c1Cl	46590581	HOYKTHMVCMNPTI-QGMBQPNBSA-N	362.644	3.109	50	40	FGGB	
CCCOc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC	9065104	LKZQMXGFZGVZNY-KRWDZBQOSA-N	354.410	3.124	50	40	FGGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccco3)o2)c1	408878357	ACVRTZNZWNMHLO-UDWIEESQSA-N	352.346	3.480	50	40	FGGB	
C/C(=N\NC(=O)CC#N)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408720297	XVQJXMHJHIHHOA-WSDLNYQXSA-N	354.797	3.346	50	40	FGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Br)c(OC)cc1OC	408807620	DMVPYQJSLRGNPX-PQTFEYQYSA-N	367.243	3.288	50	40	FGGB	
CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)c2ccccc2C3=O)cc1	96563342	GDSSKHJISSWKTN-KRWDZBQOSA-N	372.380	3.226	50	40	FGGB	
C[C@@]12CC[C@@H]([C@@H](Br)C1=O)[C@@]2(C)CI	242649016	RRHSBISFIQTULS-MVHNUAHISA-N	357.029	3.190	50	40	FGGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)N3CCCCC3)=C2C#N)cc1	6477669	GKEXIGGPKWLDJE-MRXNPFEDSA-N	369.490	3.079	50	40	FGGB	
O=C(C[C@H]1C=CCC1)NNC(=O)c1cc(-c2cccnc2)nc2ccccc12	12742230	ZTBHNIZPBOQRIZ-HNNXBMFYSA-N	372.428	3.414	50	40	FGGB	
CC(C)COc1ccc(CC(=O)NNC(=S)Nc2ccccc2)cc1	2377900	YLXYXYWEJFDNCF-UHFFFAOYSA-N	357.479	3.282	50	40	FGGB	
CC/C(=N\NC(=O)COc1ccccc1C)c1ccc(OC)c(OC)c1	408841607	LYUPDBKEABPDPP-LTGZKZEYSA-N	356.422	3.322	50	40	FGGB	
CC(C)N(C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)CCl	79392712	OFVCZJGGIOWEKJ-INIZCTEOSA-N	352.862	3.121	50	40	FGGB	
CCC(=O)Nc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1	672139	MPXRUQVGLLDYEL-UHFFFAOYSA-N	360.801	3.155	50	40	FGGB	
Cc1cccc(-n2cnc3c(N(CCCl)CCCl)ncnc32)c1	1657427	GZNAWNQNLWPSSI-UHFFFAOYSA-N	350.253	3.408	50	40	FGGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(I)cc1	10118441	VAECZFQCOWPDHZ-RQZCQDPDSA-N	368.149	3.194	50	40	FGGB	
Cc1[nH]c(=S)sc1CC(=O)NNC(=O)c1cc2c(s1)CCCC2	12973651	RKQKNNCUWGKKOO-UHFFFAOYSA-N	367.521	3.058	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)[C@@H]2CCCc3ccccc32)ccc1Cl	13011660	RCHNRVKATSPCEN-QGZVFWFLSA-N	372.852	3.295	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(N3CCCC3)cc2)cc1C	408961043	QFMNLBQTCQFYTK-OEAKJJBVSA-N	350.466	3.466	50	40	FGGB	
CCc1ccccc1NC(=O)N/N=C\c1ccc(O[C@H](C)C(=O)O)cc1	408821857	KXDHQMVUQZDQSW-UAAGNOOKSA-N	355.394	3.257	50	40	FGGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc([N+](=O)[O-])cc1O	5020844	LVEYMFVBDAYWLD-UKTHLTGXSA-N	353.334	3.245	50	40	FGGB	
Cc1nnc2ccc(C(=O)NN=C(c3ccccc3)c3ccccc3)cn12	58424961	RDRYQPULLVJMRF-UHFFFAOYSA-N	355.401	3.220	50	40	FGGB	
COc1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1C	4209577	PHYAARXRRFEXAV-LFVJCYFKSA-N	374.440	3.390	50	40	FGGB	
C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc([N+](=O)[O-])cc1	6812737	RUCUKCNTUSHZDN-DEDYPNTBSA-N	363.377	3.447	50	40	FGGB	
CCn1cc(/C=N/NC(=O)c2cc(OC)cc(OC)c2)c2ccccc21	33681318	ZJLUORJJEAHLMD-CIAFOILYSA-N	351.406	3.442	50	40	FGGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1	40144533	LAUAFFVGXZITLZ-UKTHLTGXSA-N	352.306	3.357	50	40	FGGB	
Cc1cccc(C(=O)Nc2ccccc2C(=O)NNC(=O)c2ccccc2)c1	17170406	QYEIBWCHBKKNCY-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2C(=O)O)cc1	3577114	VKOMGIHXKTYRNG-CIAFOILYSA-N	354.406	3.211	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	1424881	NUBSLLRLBVBIET-MQMKENTISA-N	356.447	3.245	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)CCc1c[nH]c2ccccc12	3400562	BYBGKXDDICWWHN-UHFFFAOYSA-N	371.824	3.224	50	40	FGGB	
Cc1cc2occ(CC(=O)NNC(=O)c3ccncc3)c2cc1C(C)C	3454465	LKGVBYPAEJKLID-UHFFFAOYSA-N	351.406	3.263	50	40	FGGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2cn(C(C)=O)c3ccccc23)cc1	4131978	QZUQGUFZJABHDC-SRZZPIQSSA-N	362.389	3.024	50	40	FGGB	
CCOC(=O)N[C@@H](CC(=O)N/N=C/c1ccc(C)cc1)c1ccccc1	408976300	AKQACWJMOBHZTE-SXZORUHJSA-N	353.422	3.323	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)CNc2cccc(C(F)(F)F)c2)cc1	408533226	RTNLWXMUHWIAIL-FOKLQQMPSA-N	364.371	3.334	50	40	FGGB	
CCOC(=O)COc1ccc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1	409053120	XMWQTKFYJGHHSK-SRZZPIQSSA-N	374.824	3.354	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)NCc2ccc(OC)cc2)ccc1O	255917477	QDXGGYHBVGQRRP-YBEGLDIGSA-N	352.390	3.023	50	40	FGGB	
CC(C)C[C@H]1[C@H]2CN(Cc3ccccc3)CC=C2C(C#N)=C(N)C1(C#N)C#N	19200177	DPZXKVAWYKKGOL-SFTDATJTSA-N	371.488	3.491	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2c(C)nn(CC(C)C)c2Cl)c(C)c1	13985395	CZDBWYPDYMZFFE-UHFFFAOYSA-N	362.861	3.193	50	40	FGGB	
C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(Br)cc1	13964787	NAJDSFYJPTWHMS-VCHYOVAHSA-N	361.195	3.332	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@H](c2cccs2)C2=C1CC(C)(C)CC2=O	409148187	XNRCWEQDLPIYLP-MRXNPFEDSA-N	357.479	3.131	50	40	FGGB	
O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N/N=C/c1cccnc1	408979615	NHPZRQUQEUCJLT-WEKPXBEKSA-N	372.428	3.093	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	408797356	RIRNXQMBTPLDHE-LFIBNONCSA-N	350.374	3.093	50	40	FGGB	
C/C(=N\NC(=O)CNC(=O)c1cccc(F)c1)c1ccc2ccccc2c1	5221505	CCYAYVVQDDWBCZ-ZVHZXABRSA-N	363.392	3.249	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc2c(c1)OCO2	408888855	BWBXZTWDAIFWJI-AWNIVKPZSA-N	351.318	3.178	50	40	FGGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cccc3c2OCCO3)cc1	409120186	VTMFHFMSUFEQJI-MQMKENTISA-N	356.447	3.397	50	40	FGGB	
CCOc1ccc(C(=O)NNC(=O)c2[nH]c3ccccc3c2Cl)cc1	40143866	ZZVWCTIHBBJJPH-UHFFFAOYSA-N	357.797	3.295	50	40	FGGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccccc1)c1ccc2c(c1)OCCO2	831103	ZMQADAFXZCVAAO-GNUZOCDUSA-N	356.447	3.479	50	40	FGGB	
Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2)CC1=O	7929439	CJFIZYRIGNTCIO-CQSZACIVSA-N	354.362	3.170	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)c1	5163924	DXWNSACOSOSNCH-MRXNPFEDSA-N	362.364	3.443	50	40	FGGB	
CCn1c(NNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)nc2ccccc2c1=O	14246898	DXFSFRKOVVQQNR-GDBMZVCRSA-N	354.454	3.098	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(C)n(C)c2ccccc12	409177811	HOHTXEHTMBXAOZ-RGVLZGJSSA-N	366.377	3.167	50	40	FGGB	
CC(=O)N/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S1	14162178	TVHGBHDWFCWONX-ZSOIEALJSA-N	361.810	3.211	50	40	FGGB	
Cc1cc(C)cc(C(=O)NCC(=O)NNc2ccccc2C(F)(F)F)c1	32901633	NJZPQJSORHQWSP-UHFFFAOYSA-N	365.355	3.195	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCC(=O)O	2774499	QRGCKRICTVNWBU-XNTDXEJSSA-N	366.373	3.094	50	40	FGGB	
CCN(CC)c1ccc(/C=C(/C#N)C2=NN(c3ccccc3)[C@@H](N)[C@@H]2C#N)o1	408820801	YVOOGEFDJLCJLO-AUADNBFCSA-N	374.448	3.334	50	40	FGGB	
O=C(N/N=C1/C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(O)cc1	84539030	LQZBYUVNAYLGSO-BSYVCWPDSA-N	371.396	3.073	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1cc([N+](=O)[O-])ccc1O	409098989	RWPQFKCQYVGKCT-UKWGHVSLSA-N	367.283	3.012	50	40	FGGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccccc1)c1ccc2c(c1)OCCO2	831101	ZMQADAFXZCVAAO-ZXOFLVKFSA-N	356.447	3.479	50	40	FGGB	
O=C(CC(=O)NC1CCCCC1)N/N=C/c1c(Cl)cccc1Cl	5567293	HZNPICJJEDNGGD-VXLYETTFSA-N	356.253	3.283	50	40	FGGB	
Cc1ccccc1COc1ccc(/C=C/C(=O)NN)cc1Br	226332971	CVHUDMAYVXLGJV-VQHVLOKHSA-N	361.239	3.340	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2ccc(C(C)C)cc2)sc2ncnc(N)c12	6545665	XOXGATANROIEBF-GZIVZEMBSA-N	353.451	3.469	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1	1319421	QHQQGVLWFIVYKQ-STCDJXRXSA-N	354.406	3.427	50	40	FGGB	
C[C@]12CC[C@@H]([C@H](Br)C1=O)[C@@]2(C)CI	103672725	RRHSBISFIQTULS-ZRUAGYDASA-N	357.029	3.190	50	40	FGGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4953819	HTTXVAMTCOEEOD-XNTDXEJSSA-N	365.345	3.236	50	40	FGGB	
C[C@@H](Br)[C@H](Br)c1nc(O)n(-c2ccccc2)n1	4266395	GBUCCYDGQWBNJN-APPZFPTMSA-N	361.037	3.192	50	40	FGGB	biogenic
CCN(C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)CCl	79392684	BSMLVHAQIDGMTH-INIZCTEOSA-N	352.862	3.123	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)COc2ccccc2OCC)ccc1OC	20100915	HSLWRNJNSCCEFC-FYJGNVAPSA-N	372.421	3.022	50	40	FGGB	
Cc1ccccc1C(=O)NNC(=O)c1ccccc1C(=O)c1ccccc1	671504	MVNPSVAPQVKWRJ-UHFFFAOYSA-N	358.397	3.301	50	40	FGGB	
COC(=O)c1ccc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1	4525779	LIGBLXHZPRFSTI-LDADJPATSA-N	373.412	3.220	50	40	FGGB	
CCC[C@@H](C(=O)OCC)/C(C)=N\NC(=O)COc1c(C)cc(C)cc1C	408947460	AYRWWZHWMRGHAD-RRMQHPPMSA-N	362.470	3.462	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1	408768227	VFFVUFKZJINJNB-KGENOOAVSA-N	356.422	3.185	50	40	FGGB	
O=C(N/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1cccc2ccccc12	793940	PKNNGLALBIFMQL-KEBDBYFISA-N	363.329	3.241	50	40	FGGB	
O=C(N/N=C/c1cccc(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	59515991	ZJDCCYSHVBBPTN-ZVBGSRNCSA-N	369.730	3.448	50	40	FGGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)C(=O)Nc1cccc(Cl)c1	59434232	SRWTVFLMRSHNCV-ZVBGSRNCSA-N	369.730	3.448	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C	408938896	MDCVWOSTPBGGNE-HJGVYBFFSA-N	368.481	3.076	50	40	FGGB	
Cc1ccc(-c2nc(CC(=O)NNC(=O)c3ccoc3C)cs2)c(C)c1	9314646	XXLYAHUZSAMABH-UHFFFAOYSA-N	369.446	3.332	50	40	FGGB	
COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cc2ccccc2o1	4514856	VORHFUJAWNVODF-RGVLZGJSSA-N	354.362	3.223	50	40	FGGB	
O=C(NNC(=O)c1cccnc1-c1nc2ccccc2s1)c1ccccc1	5452196	DNFINPPNRSKDJC-UHFFFAOYSA-N	374.425	3.433	50	40	FGGB	
CCOc1ccccc1NC(=O)C/C(C)=N/NC(=O)Cc1ccccc1	4680116	PBLPKXVGFSIHGA-PXLXIMEGSA-N	353.422	3.149	50	40	FGGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NCCc1c[nH]c3ccccc13)OCO2	408956456	WXPZTSUVLOJWSN-MFOYZWKCSA-N	373.412	3.471	50	40	FGGB	
C=CCc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2C)cc(OC)c1O	32114675	CJLVECQHSPMDDE-VUZLNAKASA-N	368.433	3.355	50	40	FGGB	
COc1ccc(C(=O)OC[C@@H](Br)CBr)cc1	1676801	LLPNTKVLHMXMAX-VIFPVBQESA-N	352.022	3.010	50	40	FGGB	
CCC(=O)NNc1nc(SC)nc2sc3c(c12)CC(C)(C)OC3	2209814	LOMWGYHVQQXEOH-UHFFFAOYSA-N	352.485	3.118	50	40	FGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1ccccc1C(F)(F)F	2742061	XWUARQKYUYBING-KEBDBYFISA-N	351.284	3.306	50	40	FGGB	
COc1ccc(N2CCN(/C(=C/C#N)c3cccc([N+](=O)[O-])c3)CC2)cc1	3418776	MMIDWGCALGTBAF-AWQFTUOYSA-N	364.405	3.290	50	40	FGGB	
Cc1ccc(Nc2nc(N)nc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)n2)cc1	4736641	XKBLIQVLPXIPKU-GXDHUFHOSA-N	373.376	3.478	50	40	FGGB	
O=C(NNC(=O)c1ccccc1)Nc1ccc(OC(F)F)c(Cl)c1	92015891	DUOPOYOEEQXNPY-UHFFFAOYSA-N	355.728	3.408	50	40	FGGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Br)o2)cc1C	408997934	PCBDCLCFNSUSSP-QGMBQPNBSA-N	350.216	3.221	50	40	FGGB	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1ccc2c(c1)OCO2	44028676	KGHISHQROILWPA-QGMBQPNBSA-N	357.369	3.450	50	40	FGGB	
CC(C)=NNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1	19949388	YRKOOSCOKCCZDP-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
CCOc1c(I)cc(C=C(C#N)C#N)cc1OC	2771493	OBSXNRCSDWQXPE-UHFFFAOYSA-N	354.147	3.129	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)c2cccs2)cc1Br	4083687	BUFGRQOJCAIDDA-CXUHLZMHSA-N	352.257	3.341	50	40	FGGB	
CCCCOc1ccc(NC(=O)N/N=C2\N=C(N)c3ccccc32)cc1	16639280	QZOIWLTZHFAIRV-UHFFFAOYSA-N	351.410	3.068	50	40	FGGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccccn1	409251358	POHQQISTMCKAHA-QRVIBDJDSA-N	350.397	3.321	50	40	FGGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)C(=O)NC1CC1	409198583	CFOVXZTVYSJMDA-YRNVUSSQSA-N	356.765	3.484	50	40	FGGB	
O=C(N/N=C\c1cc(Br)c(Br)o1)c1ccco1	15229936	JMONGGVXDYLLKZ-ACAGNQJTSA-N	361.977	3.162	50	40	FGGB	
O=C(Cc1c[nH]c2ccccc12)N/N=C\c1ccc(Cl)cc1[N+](=O)[O-]	16952813	UEMCUXIJCJQLKH-JMIUGGIZSA-N	356.769	3.422	50	40	FGGB	
O=C(NNc1cccc(Cl)c1)c1[nH]nc(C2CC2)c1Br	49157909	JKXHDZCYXCQYKR-UHFFFAOYSA-N	355.623	3.460	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2O)cc1	408886366	GLETVEZLPOUKOW-XNTDXEJSSA-N	366.373	3.123	50	40	FGGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(C)o2)cc1[N+](=O)[O-]	408862908	NQQOJTMIARNQFY-FRKPEAEDSA-N	366.171	3.331	50	40	FGGB	
Nc1nnc(CC(=O)N/N=C/c2c3ccccc3cc3ccccc23)s1	806033	PXCQMDQFUNAGAF-SRZZPIQSSA-N	361.430	3.120	50	40	FGGB	
CCOC(=O)c1cc(N(CCCl)CCCl)ccc1OC(=O)CC	1558018	RTJMXFLBOLVVHC-UHFFFAOYSA-N	362.253	3.463	50	40	FGGB	
O=C(CSc1ccccc1F)NNC(=O)c1cc(Cl)ccc1F	7964397	COAVSNIMYLZDDQ-UHFFFAOYSA-N	356.781	3.172	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2)C(C#N)(C#N)[C@H]1c1ccccc1	20790771	MLRCUQKSOZOVSI-PMACEKPBSA-N	374.407	3.371	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1OC	2448203	IUNHZLDWWQDHGG-LPYMAVHISA-N	364.401	3.255	50	40	FGGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)O)C(=O)Nc1ccccc1	409045317	GFSIXNASBZYSDC-MDWZMJQESA-N	356.765	3.349	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1	831061	JKPYJXZHTUTXJI-PVGUKEHMSA-N	358.463	3.476	50	40	FGGB	
CC(C)(C)C1CCC(=NNC(=O)CC(=O)NCCc2ccccc2)CC1	5481400	SENVDFIXIJCCKX-UHFFFAOYSA-N	357.498	3.444	50	40	FGGB	
Cc1nn(Cc2ccccc2)c2c1[C@H](c1cccc(O)c1)C(C#N)=C(N)O2	5724629	WIRQOTTXWXTFML-LJQANCHMSA-N	358.401	3.164	50	40	FGGB	
CCCn1nc(C(=O)N/N=C/C=C/c2ccccc2)c2ccccc2c1=O	8343476	QNLRTAJJLYXMKG-VMIYJPFUSA-N	360.417	3.236	50	40	FGGB	
COc1cccc(C(=O)N/N=C/c2ccc(-c3ccccc3C(=O)O)o2)c1	59433149	XRXBNKWHHSRNSF-CIAFOILYSA-N	364.357	3.417	50	40	FGGB	
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)c1	6691014	LKIMLQCJJZOKQJ-KRWDZBQOSA-N	374.400	3.312	50	40	FGGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1OCC	9065105	LKZQMXGFZGVZNY-QGZVFWFLSA-N	354.410	3.124	50	40	FGGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc([N+](=O)[O-])cc1	408764784	VKHNMWHXSQAQJL-KEBDBYFISA-N	351.284	3.306	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1	408906478	BVDKBGHSPWBHTD-FYJGNVAPSA-N	354.406	3.175	50	40	FGGB	
C/C(=N\NC(=O)c1ccccc1C)c1cc(Br)c(O)cc1O	17877130	PZNSADZPVOLBMI-VCHYOVAHSA-N	363.211	3.323	50	40	FGGB	
C=C(C)CSC1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H](C(=O)OC)C(=O)N1	40486379	IKPFYZROWPMKKJ-JKSUJKDBSA-N	356.447	3.042	50	40	FGGB	
Cc1cccc(C(=O)NNc2ncnc3c2cnn3-c2cc(C)cc(C)c2)c1	22628131	ICKGZRMEBSMIAH-UHFFFAOYSA-N	372.432	3.498	50	40	FGGB	
CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccc(Cl)c3)[C@H]2C1	4453535	MUDMBGZDEAGYCP-ROUUACIJSA-N	363.852	3.085	50	40	FGGB	
CCCC(CCC)=NNC(=O)C(=O)Nc1ccc(Br)cc1	59434212	MORQCWOTOUXUQX-UHFFFAOYSA-N	354.248	3.460	50	40	FGGB	
C/C(=N/NC(=O)Cc1ccccc1)c1ccc(NC(=O)C(F)(F)F)cc1	5884205	BZRBLNIVAIAESA-FMCGGJTJSA-N	363.339	3.270	50	40	FGGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C2\C(O)=Nc3ccccc32)cc1	18204309	ILEPEOCYPBASQI-UHFFFAOYSA-N	351.406	3.485	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OC)cc2OC)c(C)c1	408908761	RUJOIFUYECOABY-HYARGMPZSA-N	370.449	3.494	50	40	FGGB	
O=C(N/N=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1O	33341018	WHMJADPNRBXQGY-ODLFYWEKSA-N	351.318	3.324	50	40	FGGB	
O=C(c1ccccc1Cl)[C@H]1[C@H]2C(=O)O[C@@H]3[C@@H](Br)[C@@H]1C[C@@H]32	252444399	RULWUBNGPMNJKQ-OIOYKEMMSA-N	355.615	3.094	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)CSc1nnc(C)s1	5953708	POTGIRGZHPANLJ-FRKPEAEDSA-N	370.887	3.141	50	40	FGGB	
COc1cc([C@@H]2NC(=O)C(C#N)=C(Nc3cccc(C)c3)S2)ccc1O	1045530	QJPDWHBKLXQBSR-GOSISDBHSA-N	367.430	3.418	50	40	FGGB	
Cc1cc2c(c(=O)n1C1CC1)[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	2199656	GBBRRWHDGZLYNT-MRXNPFEDSA-N	353.809	3.363	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(N3CCCCC3)o2)cc1OC	59383752	AACFSOLIQKZQMV-DEDYPNTBSA-N	357.410	3.051	50	40	FGGB	
COc1cccc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)c1	20274077	ZBCNJOXYAYHZOU-AWQFTUOYSA-N	356.765	3.219	50	40	FGGB	
Cc1ccc(S(=O)(=O)NNC(=O)Nc2ccc(C(C)(C)C)cc2)cc1	36625114	WNGXQHACRSGGRY-UHFFFAOYSA-N	361.467	3.308	50	40	FGGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1C)c1ccc([N+](=O)[O-])cc1	1449538	LNQBNBSDKZSXFK-XDHOZWIPSA-N	361.785	3.476	50	40	FGGB	
C#CCOc1ccccc1/C=N/NC(=O)c1ccccc1Br	5368594	VEEHKKZHXBQWGU-XDHOZWIPSA-N	357.207	3.225	50	40	FGGB	
O=C(CBr)Nc1ccccc1OCCOc1ccccc1	35605146	XCUKOCSCCMSUKB-UHFFFAOYSA-N	350.212	3.478	50	40	FGGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc2c(c1)OCO2	59473183	INZUHCCNPFGRGG-UFWORHAWSA-N	362.838	3.452	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OCC	408827679	FXKPTMVOLOKSJZ-UDWIEESQSA-N	371.393	3.465	50	40	FGGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc2c(c1)OCCO2	409210256	FUMCCOAKRCRXKF-VXLYETTFSA-N	362.838	3.354	50	40	FGGB	
COC(=O)c1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1	408993386	DNIHTLUQPGNSTR-CIAFOILYSA-N	365.389	3.238	50	40	FGGB	
O=C(NNC(=O)c1ccccc1-c1nc2ccccc2s1)c1cccnc1	7003800	JPUFGINGDYFGIO-UHFFFAOYSA-N	374.425	3.433	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(O)c([N+](=O)[O-])c2)c(C)c1	408911251	MLPZSUSPSZTZNP-UDWIEESQSA-N	371.393	3.090	50	40	FGGB	
CC1=CC(=C(C#N)c2nc3ccccc3o2)C=C(C)N1CCOCCO	1554502601	SWXPRLCZMCGBEF-UHFFFAOYSA-N	351.406	3.237	50	40	FGGB	
Cc1ccc(NC(=O)CCC(=O)NNC(=S)Nc2ccccc2)c(C)c1	13544273	YBYGSEYJJXBVHE-UHFFFAOYSA-N	370.478	3.040	50	40	FGGB	
O=C(N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)C1CC1	100400152	HXCKFMCCEGYJIE-FXBPSFAMSA-N	353.809	3.117	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)cc1	2349889	XVJWFQMZIARZRS-CIAFOILYSA-N	367.405	3.348	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C\C=C\c2ccccc2[N+](=O)[O-])c(C)c1	13955369	GIWKVPIGOHNORK-QBEBGYDGSA-N	353.378	3.406	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc4c(c3)OCCO4)cc2c1	409188555	DBRBUGUVNCNJJC-MTJSOVHGSA-N	366.373	3.367	50	40	FGGB	
Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCl)cc2)c1	408906930	KRCAGGGQDRFXFG-UHFFFAOYSA-N	352.843	3.282	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccccc1Br	33740500	RNBUBIDXPXOWKM-YVLHZVERSA-N	362.183	3.050	50	40	FGGB	
N#C/C(=C\c1ccc(OCCC(=O)O)cc1)C(=O)Nc1ccccc1F	44013783	MXSGEGRBGKWDAU-SDNWHVSQSA-N	354.337	3.225	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1-c1ccc2c(c1)OCO2	1197898	JAEAJGUDPKBYME-LZYBPNLTSA-N	351.406	3.254	50	40	FGGB	
CCOc1cccc(/C=N\NC(=O)COc2ccc(C(C)C)cc2)c1O	31830378	RNFBTFZXFIISII-MTJSOVHGSA-N	356.422	3.443	50	40	FGGB	
CCOC(=O)C1=C[C@H]2C=C[C@H]1[C@H]1[C@@H](Br)[C@@H](Br)[C@H]21	101048255	OBJRCCAIJCYYQE-HSPBKTJPSA-N	362.061	3.065	50	40	FGGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409380598	OEEHOXGKTDNSCO-WSDLNYQXSA-N	363.373	3.207	50	40	FGGB	
CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCCl)=C(C)N1	68606400	UESDNNZBXCFCAU-MRXNPFEDSA-N	361.785	3.135	50	40	FGGB	biogenic
CC(C)/C=C(\C#N)C(=O)N1CC[C@@]2(CCCO2)[C@H](OCc2ccccc2)C1	585288904	BPARNFPTLPGHHP-RQEXAXHLSA-N	368.477	3.459	50	40	FGGB	
N#C/C(=C/c1ccc2c(c1)OCCO2)C(=O)NCCc1c[nH]c2ccccc12	15225853	VSYPURZQGRIPHY-BOPFTXTBSA-N	373.412	3.205	50	40	FGGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	1054321	JSLWZFDOQBSBBN-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1	2773836	RYPKIXZZDRRSKF-MDWZMJQESA-N	352.306	3.357	50	40	FGGB	
COc1cccc(/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1OC(C)C	108161653	FWDBHWWCTTUHNH-NDENLUEZSA-N	371.393	3.083	50	40	FGGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1cccs1	6530604	WIHVKYXEWFGHEF-UZYVYHOESA-N	361.426	3.429	50	40	FGGB	
O=C(N/N=C/c1ccccn1)c1ccc(CN2CCc3ccccc3C2)cc1	59472777	XTFQJJZWBKTPAD-MFKUBSTISA-N	370.456	3.404	50	40	FGGB	
O=C(CNC(=O)c1ccco1)N/N=C/c1c2ccccc2cc2ccccc12	4417172	UYRXTYUYFACEPI-ZMOGYAJESA-N	371.396	3.466	50	40	FGGB	
O=C(N/N=C/c1ccc(O)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	408965259	VCDBMFUHXDOBTO-UFWORHAWSA-N	353.256	3.083	50	40	FGGB	
CCCNC(=O)C(=O)N/N=C/c1cc(Cl)ccc1Nc1ccc(C)cc1	408708776	SNPNCISXWHHOMS-WSDLNYQXSA-N	372.856	3.368	50	40	FGGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c2C)c1	408970294	FJIYUJJUNDUIMP-WSDLNYQXSA-N	368.481	3.076	50	40	FGGB	
CC(C)N(C[C@H]1CCCN1C(=O)CCl)C(=O)OCc1ccccc1	79411997	LSKVKDCEKUBYPD-MRXNPFEDSA-N	352.862	3.263	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1OC	2056556	FBTYKMUZBGKCKY-KNGGAZFVSA-N	354.406	3.098	50	40	FGGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(NC(C)=O)cc2s1	20132499	SVOCIXQBKUHILG-VIFPVBQESA-N	356.245	3.367	50	40	FGGB	
Cc1[nH]c2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccc(F)cc3)cc2c1C	6661567	IPIQZDGNLXJTQE-CYBMUJFWSA-N	369.396	3.152	50	40	FGGB	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1ccc(Cl)cc1	8940271	GHALOPPTYQBPJX-UHFFFAOYSA-N	371.849	3.467	50	40	FGGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](O)c1ccccc1	14134688	PFWGXDBNXUFSRC-CPOKCXMASA-N	358.397	3.036	50	40	FGGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)N1CCOCC1)[C@@H](C)CC(C)(C)N2C	208216937	GQANPYPMHOHCAC-GYXHFJGISA-N	367.493	3.483	50	40	FGGB	
CCc1ccc(OC(C)(C)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1	1052068	ZBECEWZJNVHROB-DEDYPNTBSA-N	355.394	3.465	50	40	FGGB	
C/C(=N\NC(=O)[C@@H]1COc2ccccc2O1)c1cccc(C(F)(F)F)c1	4863586	STHPUSNGKMUUPG-RSFOSLOZSA-N	364.323	3.386	50	40	FGGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccc([N+](=O)[O-])c1O	6453913	VQOPJWVOORCBJL-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
C=CCOc1c(Br)cc(/C=C(/C#N)C(=O)N(C)C)cc1OC	59333515	TWHPFZRVTWMCIK-GHXNOFRVSA-N	365.227	3.018	50	40	FGGB	
O=C(NC[C@H]1CCCO1)N/N=C1/CCCc2nc(-c3ccccc3)sc21	84564829	ORKCDSHAAWQWRG-AWMROSOHSA-N	370.478	3.329	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(OC(F)F)cc1	3547465	LNTNMHZCIRRWHK-UHFFFAOYSA-N	370.739	3.025	50	40	FGGB	
Cc1ccc(OCCn2cc(/C=N/NC(N)=O)c3ccccc32)c(C)c1	4561559	KORUJKSDEKOGLU-WSDLNYQXSA-N	350.422	3.339	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)ccc1OC(C)C	408967426	QNWSNLRQPUACAO-SSDVNMTOSA-N	355.369	3.257	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1	3060045	XYQIDTBAORWCDJ-RGVLZGJSSA-N	359.813	3.136	50	40	FGGB	
COc1cc(/C=N/NC(=O)OC(C)(C)C)ccc1OC(=O)c1cccnc1	3574770	LOFOMLZGDJDSRT-SRZZPIQSSA-N	371.393	3.168	50	40	FGGB	
N#C/C(=C/c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1	33685911	QIXBPIXKOKJAPY-SDXDJHTJSA-N	357.417	3.168	50	40	FGGB	
CCOc1ccc(OCC)c([C@@H]2C(C#N)=C(N)Oc3ccc(O)cc32)c1	1106675	GWHAZQPSPQOODT-LJQANCHMSA-N	352.390	3.408	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)cc1	1424879	NUBSLLRLBVBIET-PVGUKEHMSA-N	356.447	3.245	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)[C@H](C)Sc1ccccc1	20248063	IXADOXUPTGRSCY-HWQJWEFDSA-N	359.407	3.234	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)c(O)c1	17073891	WKXBEDZGHLGAQM-VTNJTDAWSA-N	358.269	3.272	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC(=O)O)cc1	7159240	PFEGQOAZDROIDX-LFIBNONCSA-N	350.374	3.258	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(Cl)c1O	7384473	WJAKYPBBWWAMIJ-CIAFOILYSA-N	373.840	3.418	50	40	FGGB	
C[C@@H](Cl)C(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	23001918	BOSMRCOCJAOGCO-MRVPVSSYSA-N	356.175	3.030	50	40	FGGB	
CC(C)c1cc(C(C)C)c(S(=O)(=O)NNC(=O)CC#N)c(C(C)C)c1	3466231	ZUDMRQSUOYUQSH-UHFFFAOYSA-N	365.499	3.280	50	40	FGGB	
O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1cccc(O)c1	6220778	RIMPPQPIUPAMOT-UYRXBGFRSA-N	356.325	3.375	50	40	FGGB	
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc3ccccc23)[C@H](C(=O)O)C1	4651615	ZLPFULBYYWFGQN-ZIAGYGMSSA-N	372.446	3.110	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1cccc(Cl)c1	408739930	GTLMMKXGMRYWDO-YODDIOPGSA-N	354.797	3.095	50	40	FGGB	
COc1cccc(C(=O)N/N=C(\CC(=O)C(F)(F)F)c2cccs2)c1	408978372	ZAKLAQLYKIUPBT-UDWIEESQSA-N	370.352	3.412	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cccn1-c1ccccc1F	35385745	HPAJQKHSYRSVGE-BKUYFWCQSA-N	366.352	3.217	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OC(=O)c1ccco1	1088185	CMUCUUNLSCNBSX-YBFXNURJSA-N	370.386	3.333	50	40	FGGB	
COC(=O)c1ccc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)cc1	100195460	GSNSXRJLZYJKFL-NVNXTCNLSA-N	356.385	3.482	50	40	FGGB	
C/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(O)cc1O	100007438	AIZYWSVNYGKKHC-OCKHKDLRSA-N	369.204	3.324	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC	6587665	MTXJSILOMHNCBL-LCESUFGFSA-N	358.438	3.314	50	40	FGGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCC(=O)OC(C)(C)C)cc1	8570962	BVILBUSVPAEBAS-LPYMAVHISA-N	368.433	3.479	50	40	FGGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cc(Br)c(O)cc1O	100175431	IHVAGGMSWGNIES-JODBDVBPSA-N	367.243	3.137	50	40	FGGB	
C/C(CC(=O)NCc1ccco1)=N\NC(=O)Cc1cccc2ccccc12	100510192	CCZCUOXUPSADPZ-HZHRSRAPSA-N	363.417	3.174	50	40	FGGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(COc3ccccc3)o2)cc1F	12855901	RFZSVKCBDPJIRI-UHFFFAOYSA-N	368.364	3.381	50	40	FGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408797636	SFUAZCOTNFDSNI-FOWTUZBSSA-N	362.385	3.349	50	40	FGGB	
Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=N/NC(=O)c1ccncc1	7892555	JGJCHNXZZZXEMU-LSHDLFTRSA-N	371.803	3.191	50	40	FGGB	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1OC	3175003	HXNXJCWBGZHNEQ-DQAKUKQTSA-N	362.813	3.275	50	40	FGGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCC(=O)O	4168001	WLYAIFLCRFCZMD-ZROIWOOFSA-N	363.373	3.489	50	40	FGGB	
O=C(CCl)OC[C@]1(c2ccccc2)C(=O)c2ccc(Cl)cc2C1=O	5604413	YXUSTRFMXQTOJU-SFHVURJKSA-N	363.196	3.439	50	40	FGGB	
CCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)NC1CCCCC1	5868465	HHJQMUSCCJCYHE-ICFOKQHNSA-N	362.861	3.045	50	40	FGGB	
O=C(Cc1ccc(Cl)cc1)NNC(=O)c1ccccc1Br	5423751	OMMJOHSHFKJBOV-UHFFFAOYSA-N	367.630	3.106	50	40	FGGB	
CC[C@H](Nc1ccc(C)cc1)C(=O)N/N=C/c1ccc(OC)cc1OC	695743	ZKEYPBLHEKFVJR-LANLRWRYSA-N	355.438	3.353	50	40	FGGB	
COc1cccc(/C(C)=N\NC(=O)CSc2nc3ccccc3o2)c1	1297485	QLXMXGWWSOTIPC-NDENLUEZSA-N	355.419	3.469	50	40	FGGB	
CCOC(=O)[C@H](Br)[C@@H](C(=O)OCC)c1ccc(Cl)cc1	8228014	VMPYETDOBTXFSF-NWDGAFQWSA-N	363.635	3.313	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	408898124	URYNFYVVDPCDFK-KPKJPENVSA-N	368.305	3.057	50	40	FGGB	
CC(=O)Oc1cccc(/C=N/NC(=O)c2cccc(Br)c2)c1	408763591	PWAMZANFBPVHMF-VCHYOVAHSA-N	361.195	3.138	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1OC	8227426	VDSDNDWJDYIILL-CIAFOILYSA-N	374.824	3.443	50	40	FGGB	
N[P@](=O)(OCCC(=O)c1ccccc1)N(CCCl)CCCl	6095746	ZSQIOJOQXJELQB-NRFANRHFSA-N	353.186	3.122	50	40	FGGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc3c(c2)OCO3)cc1	1319392	GASDVVCVEXJMQD-VPNURPJOSA-N	354.406	3.458	50	40	FGGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(O)cc1)c1ccccc1	2290725	KNYSRDQTRDCONU-HYARGMPZSA-N	359.385	3.408	50	40	FGGB	
CCOC(=O)/C(C#N)=C1\CCCCC[C@H]1/C(SC)=C(/C#N)C(=O)OC	100993089	YRYSTGGQKLBVCQ-VUHLDJJXSA-N	362.451	3.264	50	40	FGGB	
O=C(Cc1ccc([N+](=O)[O-])cc1)N/N=C/c1cc(Cl)cc(Cl)c1O	59367083	SJAUVZYMYSQYQA-QGMBQPNBSA-N	368.176	3.300	50	40	FGGB	
O=C(N/N=C/c1cccc(I)c1)c1ccc(F)cc1	408710952	ZRWCKQDIZSUXSI-RQZCQDPDSA-N	368.149	3.194	50	40	FGGB	
N#Cc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1	33411523	SDYXSYKTARPWCV-VXLYETTFSA-N	350.359	3.445	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc2c(c1)OCO2	3199803	MPAWZPXJRZVCOM-NGYBGAFCSA-N	353.161	3.192	50	40	FGGB	
Cc1ccc(/C(COc2ccccc2O)=N\NC(=O)c2ccncc2)cc1	5277273	JIKAHZDBIOZVGX-NKFKGCMQSA-N	361.401	3.309	50	40	FGGB	
O=C(NNc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1	36820640	UBAVJJFTGBHLET-HNNXBMFYSA-N	369.852	3.325	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)[C@H]2CCCc3ccccc32)ccc1Cl	13011661	RCHNRVKATSPCEN-KRWDZBQOSA-N	372.852	3.295	50	40	FGGB	
Cc1ccccc1C(=O)N1CCC(C(=O)N/N=C/c2ccccc2F)CC1	409004260	BOYHAPJRZLYNTG-OEAKJJBVSA-N	367.424	3.137	50	40	FGGB	
C[C@H]1CCC[C@@H](C)N1C(=O)CSC1=C(C#N)[C@@H](c2ccco2)CC(=O)N1	409134686	XCCWHZNNOURVFS-MJBXVCDLSA-N	373.478	3.141	50	40	FGGB	
CCOc1ccc(/C=N\NC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	33301380	AYXYTOGNSKIGME-ULJHMMPZSA-N	374.440	3.472	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)cc1OCC	6964186	IAKZQVFDCCHMKF-FEMWLQECSA-N	351.406	3.241	50	40	FGGB	
Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1	7928910	NDWBNFDMJVHJMV-AWEZNQCLSA-N	354.362	3.170	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1cc(Br)cs1	107757612	AIXMGLHMNOZQGN-CHHVJCJISA-N	368.212	3.112	50	40	FGGB	
Cc1noc(C)c1COc1cccc(C(=O)NNC(=O)c2cccs2)c1	3370224	XNKNVOGLKCFSSQ-UHFFFAOYSA-N	371.418	3.007	50	40	FGGB	
CC[C@H](C)c1ccc(NC(=O)C/C(C)=N/NC(=O)c2cnccn2)cc1	4690720	HPNWWLPEJARHSE-ODSPIHKRSA-N	353.426	3.125	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/NC(=O)c1ccc(Cl)cc1	408740788	MKOFJHDUYULYDI-YODDIOPGSA-N	354.797	3.095	50	40	FGGB	
O=C(CCl)O/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	3064122	VBDLNAMPDJIUFJ-SILNSSARSA-N	363.200	3.373	50	40	FGGB	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c1C	2147644	MUJRHIAKXOIVNU-UDWIEESQSA-N	368.393	3.081	50	40	FGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccncc1	100510213	OKHHVRSWXSKQCV-FOKLQQMPSA-N	364.327	3.235	50	40	FGGB	
Cc1nc(N)sc1C(=O)N/N=C\c1cccc(OCc2ccccc2)c1	32109261	RMKZKJXOIRYECQ-NHDPSOOVSA-N	366.446	3.377	50	40	FGGB	
CNc1ccccc1C(=O)NNC(=O)Nc1ccccc1C(F)(F)F	1572810	YGQMVIDBKFMPCN-UHFFFAOYSA-N	352.316	3.214	50	40	FGGB	
COC[C@H](C)NC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2ccccn12	17474655	BQBCMKMMZHZGEG-YSKWHIJTSA-N	360.417	3.059	50	40	FGGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC#N)c(Br)c1	408799200	GWWDUBVKOLRVAE-ZWSXMNCCSA-N	362.227	3.173	50	40	FGGB	
Cc1cccc(-n2ncc3c(NNC(=O)c4ccccc4C)ncnc32)c1	17135610	HZBWEVIBBVKGGW-UHFFFAOYSA-N	358.405	3.189	50	40	FGGB	
NC(=O)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	6221535	SQOWNXYCKQITSR-UFWORHAWSA-N	366.190	3.169	50	40	FGGB	
CCCc1[nH]nc2c1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	4473499	WMJRCASHKXGPIG-CYBMUJFWSA-N	359.773	3.142	50	40	FGGB	
CS(=O)(=O)SCCNC(=O)c1ccc2cc3ccccc3cc2c1	35636685	JDQIUGACVGSHLI-UHFFFAOYSA-N	359.472	3.416	50	40	FGGB	in-vitro
O=C(CCl)N1CCC[C@H](CN(C(=O)OCc2ccccc2)C2CC2)C1	79412144	ZNRFAQHYUFUUJF-INIZCTEOSA-N	364.873	3.265	50	40	FGGB	
COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2F)c(OC)c1	7154427	QEJLJOQGAWIDOH-UKTHLTGXSA-N	355.321	3.133	50	40	FGGB	
CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccnc2)C(C#N)=C(N)O1	5482444	YURGKPAUIKTWIF-QGZVFWFLSA-N	366.808	3.455	50	40	FGGB	
COCCn1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C	7386644	RDKVVFQJXQOGGO-PXLXIMEGSA-N	368.481	3.115	50	40	FGGB	
COC(=O)/C=C/C[PH](c1ccccc1)(c1ccccc1)c1ccccc1	104086708	GPUKKOYLNAEOTE-WOJGMQOQSA-N	362.409	3.442	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)c(Br)cc1OC	408768844	KEZBOZOIUKBYAF-SDQBBNPISA-N	367.243	3.288	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)CNc2ccc(C)cc2)c(OCC)c1	408532892	RLLJKPPTBWKRMC-LPYMAVHISA-N	355.438	3.355	50	40	FGGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2[N+](=O)[O-])c([N+](=O)[O-])c1	408900515	VRVUPLIVTMGFTN-XYOKQWHBSA-N	368.305	3.057	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O)c(OC)c3)cc2c1	409187273	OHEQMGMIILSNQL-JAIQZWGSSA-N	354.362	3.310	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)s1	409254177	DCIYLVBDBKTYIF-BFNDQCEFSA-N	361.854	3.213	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CNc2ccc(Br)cc2)cc1	3150840	PEPDNXGMZZTGJP-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(OC)c1	7383875	QJJTZZLAFBJUKX-KGENOOAVSA-N	353.422	3.068	50	40	FGGB	
COc1cc(OC)cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c1	3191449	MTQFHYVAAJXORA-KRWDZBQOSA-N	354.406	3.155	50	40	FGGB	
CCOC(=O)Cn1cc(/C=N/NC(=O)c2cccs2)c2ccccc21	4083697	CBVZMRSALRVOJN-VXLYETTFSA-N	355.419	3.030	50	40	FGGB	
CCOC(=O)c1c(NC(=O)CCBr)sc2c1CCCC2=O	5125692	JAKSETALLYIUNX-UHFFFAOYSA-N	374.256	3.167	50	40	FGGB	
C=CCOc1cc(Br)c(/C=C(\C#N)C(=O)N(C)C)cc1OC	4705244	ZVKNTYLMBWVZHM-KPKJPENVSA-N	365.227	3.018	50	40	FGGB	
CC(=O)C1=C(O)C(=O)N(CCBr)[C@H]1c1ccccc1Cl	6720072	WFTUSKMXHLFMTL-LBPRGKRZSA-N	358.619	3.019	50	40	FGGB	
COc1ccc2ccc(OC)c(/C=N\NC(=O)c3ccccc3O)c2c1	409009904	ALDCIKOAYJWKFG-MTJSOVHGSA-N	350.374	3.327	50	40	FGGB	
COc1cc(N2CCCC2)c(OC)cc1/C=N/NC(=O)c1ccc(F)cc1	409103506	BZZBTNOAOIDOFG-LPYMAVHISA-N	371.412	3.207	50	40	FGGB	
O=C(c1ccccc1Cl)[C@@H]1[C@H]2C[C@H]3[C@H](OC(=O)[C@@H]13)[C@H]2Br	252444398	RULWUBNGPMNJKQ-IPBQDMGXSA-N	355.615	3.094	50	40	FGGB	
Cc1nn(-c2ccccc2)c(O)c1/C=N/NC(=O)c1ccccc1Cl	3101436	HLKJPAQVMWYJOZ-RGVLZGJSSA-N	354.797	3.304	50	40	FGGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3ccccc3F)c2)n1	4141738	PDKGFFROGZHFGN-WSDLNYQXSA-N	350.397	3.451	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1	6189280	JMSSNJSIHZSIOU-LPYMAVHISA-N	362.433	3.321	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2cccc(Br)c2)c1	1055368	ZUQFHLMWGPOTIA-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
COC(=O)c1nc(-c2ccccc2)oc1NNC(=O)Nc1ccccc1	27460107	RJOSLFJRUNMPPB-UHFFFAOYSA-N	352.350	3.277	50	40	FGGB	
CC1(C)[C@]2(CBr)CC[C@]1(C(=O)O)c1nc3ccccc3nc12	100836958	KPQVWAURDKBYOT-DLBZAZTESA-N	361.239	3.419	50	40	FGGB	
Cc1ccc(N2C[C@@H](C(=O)N/N=C/c3ccccc3Cl)CC2=O)cc1C	409171464	BRZDJSUJPCBBJW-RSFOSLOZSA-N	369.852	3.460	50	40	FGGB	
Cc1cc(N2CCOCC2)ccc1/C=C(/C#N)C(=O)NC1CCCCC1	409072197	MKMHYTUAQGKXSX-JXAWBTAJSA-N	353.466	3.188	50	40	FGGB	
N#CC(C#N)=C(N)c1c(N)c(C(=O)c2ccc(Cl)cc2)n2ccccc12	257173813	YATOUMFHRKPYDQ-UHFFFAOYSA-N	361.792	3.123	50	40	FGGB	
C#CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C)o1	14407505	SFIADRGDURPFHM-VCHYOVAHSA-N	361.195	3.126	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCC#N	19727604	WTYSSMSMZUUCOW-UVTDQMKNSA-N	351.337	3.282	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)[C@H](OC)c2ccccc2)cc1OCC	4714628	UQJJNAPVEMRNPA-INKLHFNDSA-N	368.433	3.488	50	40	FGGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCOCC3)o2)cc1	408793844	QIFKAZDXDMQSDH-DTQAZKPQSA-N	351.406	3.224	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2c(C)ccc(C)c2C)c(OC)c1	12843980	QTEWGAXEEGTQQF-SRZZPIQSSA-N	356.422	3.158	50	40	FGGB	
COC(=O)[C@]1(C#N)C(N)=C(C#N)C2=CCCC[C@H]2[C@@H]1c1ccccc1F	20792591	OPPKVTVGKRAZTG-DUXSXAKTSA-N	351.381	3.069	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1OC	1095721	ZYZJITSZFUWTFN-YDZHTSKRSA-N	363.417	3.419	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C	1452691	IOUXIAYYOLWARJ-GHRIWEEISA-N	358.401	3.030	50	40	FGGB	
COc1cccc(NC(=O)/C(C#N)=C2/SCC(=O)N2c2ccccc2)c1	4539876	WNVUZAKFNSQCJA-KNTRCKAVSA-N	365.414	3.149	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccc(F)c1	408976041	OTXUSQQEXWLBBW-ZMOGYAJESA-N	373.387	3.444	50	40	FGGB	
C#CCOc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)c1ccc(Cl)cc1	409347134	MJDOOXLYWMVXEG-YBFXNURJSA-N	357.753	3.024	50	40	FGGB	
O=C(COc1ccccc1Cl)N/N=C\c1cc([N+](=O)[O-])ccc1Cl	33475068	OTCYXHNIQJELKV-LSCVHKIXSA-N	368.176	3.431	50	40	FGGB	
C[C@H](Cl)C(=O)Nc1cc(Br)c(O)c(Br)c1	96029390	HHRCVJIZQNWZJX-BYPYZUCNSA-N	357.429	3.483	50	40	FGGB	
COc1ccccc1Oc1nc2c(C)cccn2c(=O)c1C=C(C#N)C#N	5557047	QBFQSLCJFSJXOQ-UHFFFAOYSA-N	358.357	3.234	50	40	FGGB	
COc1cc(OC)c(SSCCCC[S@](=O)O)c(OC)c1	17190150	ZELDBTASUIYGHN-UHFFFAOYSA-N	352.499	3.455	50	40	FGGB	
CN(C)CC[C@H](C(=O)C(Br)Br)c1ccccc1	1577526	XVYFTBFRXQECSY-NSHDSACASA-N	363.093	3.407	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	59921595	TWSHBMHQROCMEE-UFFVCSGVSA-N	350.296	3.256	50	40	FGGB	
CC(=O)c1c(NNC(=O)CSc2ccc(Cl)cc2)oc(C)cc1=O	28047845	WCNZDKHSIOTTON-UHFFFAOYSA-N	366.826	3.040	50	40	FGGB	
CNc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1[N+](=O)[O-]	5692981	CAGGQZKQCFKXOT-RKPNYOAGSA-N	350.378	3.421	50	40	FGGB	
CCN(C[C@H]1CCCCN1C(=O)CCl)C(=O)OCc1ccccc1	79411947	WLUAMLZTUKLTPF-MRXNPFEDSA-N	352.862	3.265	50	40	FGGB	
C/C(CC(=O)Nc1ccc(F)cc1)=N\NC(=O)c1cc(Cl)ccc1O	100923101	KDUNVDAITKBICZ-UFFVCSGVSA-N	363.776	3.319	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1O	3140342	JOLURSFOCLPYIH-CIAFOILYSA-N	356.422	3.227	50	40	FGGB	
CC(C)N(C(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1)C(C)C	6306980	JJZINWZPNWBASJ-MRXNPFEDSA-N	371.506	3.404	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(F)cc2)cc1OC	7894208	HWRVXDDYQTZNQE-SRZZPIQSSA-N	360.772	3.264	50	40	FGGB	
O=C(N/N=C\c1ccc(N2CCOCC2)c(F)c1)c1cc2ccccc2o1	409140740	SDXUWOIBJDGJNK-XKZIYDEJSA-N	367.380	3.172	50	40	FGGB	
O=C(NN[C@@H]1c2ccccc2C(=O)N1CCc1ccccc1)c1ccccc1	4675655	ZKCGPRFEHGNXEG-NRFANRHFSA-N	371.440	3.318	50	40	FGGB	
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CCc2ccccc2)c1	4680187	VJSKPYXYOAMSJX-UHFFFAOYSA-N	354.450	3.277	50	40	FGGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccccc1Br	4815497	KIMCEDHUGFCYEE-VGOFMYFVSA-N	354.185	3.183	50	40	FGGB	
CCOC(=O)/C(C#N)=C\c1cc(Br)c(OC)c(OCC)c1	82068009	XHFZTKAOQLRDRQ-WDZFZDKYSA-N	354.200	3.326	50	40	FGGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OC)cc1	408791743	BVEQFRLQXPMAMC-FOWTUZBSSA-N	350.374	3.418	50	40	FGGB	
N#C/C(=C\c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(N)=S	408542497	JHBOKDWAOCTFPG-YRNVUSSQSA-N	370.346	3.488	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)cc1[N+](=O)[O-]	408719436	FBZFPGJUYBXQLB-MBNTZHJCSA-N	359.407	3.234	50	40	FGGB	
Cc1cc(OCC(=O)n2cc(C(=O)NN)c3ccccc32)cc(C)c1Cl	216785682	BSCXAJYEWAZKEZ-UHFFFAOYSA-N	371.824	3.234	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccccc1[N+](=O)[O-]	825653	AOHRPTVZGQDJDQ-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
COc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)ccc1OCC(C)C	6327183	IDLLBBIEQWXLNT-ZMPUUUETSA-N	365.433	3.487	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/C=C/c1ccc([N+](=O)[O-])cc1	20100864	PDEKEAMOEQPFTL-VDIBOKMOSA-N	369.377	3.188	50	40	FGGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccccc1	840366	GVWACQWCNKUOCZ-SNVBAGLBSA-N	353.205	3.222	50	40	FGGB	
CC(C)Oc1ccc(C(=O)NNC(=O)[C@H]2CCCc3ccccc32)cc1	24835726	CBYWUYJDVPLSMM-IBGZPJMESA-N	352.434	3.355	50	40	FGGB	
CCOc1ccccc1OCC(=O)N/N=C/c1c(O)ccc2ccccc12	3140497	YDBKXPZUMYRUOO-LPYMAVHISA-N	364.401	3.473	50	40	FGGB	
CC1=CC(=O)[C@@H](Cl)[C@](C)(Cl)/C1=N\S(=O)(=O)c1ccc(C)cc1	101028259	LFHTVIZLZIQDHD-HPOFQYSDSA-N	360.262	3.259	50	40	FGGB	
CN(C)c1nc(N)nc(/C(C#N)=C/c2ccc(-c3ccccc3F)s2)n1	12925711	XTWNXNILKOVNJX-PKNBQFBNSA-N	366.425	3.452	50	40	FGGB	
COC(=O)COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408599000	NIGKQIJUXNHOCU-LPYMAVHISA-N	362.385	3.156	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c2c(OC)cccc12	9704081	LFLWAGKLHNENCJ-GOSISDBHSA-N	362.389	3.107	50	40	FGGB	
C#CCOc1ccc(/C=N\NC(=O)c2ccc(OC)c(OC)c2)cc1Cl	409317286	ORRSHNWFBYXPJP-MTJSOVHGSA-N	372.808	3.133	50	40	FGGB	
CC1(CC(=O)N/N=C\c2cccc(Br)c2)SCCS1	32116889	CDKFBIAPWUEBAZ-DHDCSXOGSA-N	359.314	3.486	50	40	FGGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccncc2)nc2ccccc21	946799	TVRMTCUASKFOPB-FYJGNVAPSA-N	353.451	3.084	50	40	FGGB	
O=C(COc1ccccc1)N/N=C/c1ccc(C(=O)c2ccccc2)cc1	1458051	FMSNFNHOMHTMLH-HZHRSRAPSA-N	358.397	3.447	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2cc3ccccc3o2)cc([N+](=O)[O-])c1O	12364136	MQUKYSLTNQHPHK-VXLYETTFSA-N	369.333	3.209	50	40	FGGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)COc2ccc(Cl)cc2)c1	8227392	QMXGVVORVCTCAN-CIAFOILYSA-N	359.813	3.218	50	40	FGGB	
O=[N+]([O-])c1ccc(S(=O)(=O)OC23CCC(CC2)C[C@H]3CCl)cc1	2558670	ASEXREBOTPYZPZ-AVERBVTBSA-N	359.831	3.488	50	40	FGGB	
O=C1c2sc3nc4n(c(=O)c3c2CC[C@@H]1Br)CCCCC4	850544	IVCYKDGSQAGJHW-VIFPVBQESA-N	367.268	3.077	50	40	FGGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(N)=O	59133373	IETVVJDINAPPHC-NTEUORMPSA-N	357.207	3.420	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1	11274127	LSWSEWZBPVRDOZ-UHFFFAOYSA-N	370.416	3.461	50	40	FGGB	
N#CCOc1ccccc1/C=N/NC(=O)c1ccccc1Br	20760112	PDCPAJWCSKBZEZ-YBFXNURJSA-N	358.195	3.115	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C/c1ccc(N2CCCC2)cc1C	4106778	KWQWOXBUSCNYGH-HYARGMPZSA-N	367.449	3.133	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1	4723467	RNLKZYKAFREKMM-RIYZIHGNSA-N	371.780	3.480	50	40	FGGB	
CC/C(=N\NC(=O)[C@@H](OC)c1ccccc1)c1ccc2c(c1)OCCO2	408719636	IJRHNFWWYNDOPY-XSLGSPGOSA-N	354.406	3.076	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1	408757073	WLYMIJNOIWHKMT-VCHYOVAHSA-N	361.195	3.138	50	40	FGGB	
COC(=O)c1ccc(C(=O)NNc2nc3c(F)cc(F)cc3s2)cc1	4121494	GOHKSRZDXZVONZ-UHFFFAOYSA-N	363.345	3.118	50	40	FGGB	
COc1ccc(C(=O)N/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1OC	3226498	SVEUTISTKKTFIA-SPJXWURQSA-N	355.350	3.041	50	40	FGGB	
Cc1cc(C)nc(NNC(=O)COc2ccc3oc4c(c3c2)CCCC4)n1	11333681	XAGAHZFZKQUIKY-UHFFFAOYSA-N	366.421	3.241	50	40	FGGB	
N#CCCn1cc(/C=C(/C#N)C(=O)O)c(-c2cccc(OC(F)F)c2)n1	3394944	IODDETYBSFVFMW-GHXNOFRVSA-N	358.304	3.057	50	40	FGGB	
CC/C(=N\NC(=O)c1ccc(I)cc1)c1ccco1	408711713	HITJUEMCKFVAQM-FOWTUZBSSA-N	368.174	3.428	50	40	FGGB	
CCc1ccc(OCC(=O)NNC(=O)Cc2coc3cc(C)ccc23)cc1	32976213	LGNNVSFYDCLDMM-UHFFFAOYSA-N	366.417	3.073	50	40	FGGB	
O=C(CCCC[C@@H]1CCSS1)N1CCN(C(=O)c2ccco2)CC1	96114836	MOKRWGCNMGFBLT-CQSZACIVSA-N	368.524	3.278	50	40	FGGB	biogenic
COc1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)c(OC)c1	1092199	PBTRXCMHFONPAY-YDZHTSKRSA-N	363.417	3.419	50	40	FGGB	
CN(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	985166	MGMFVZGNFGTQSG-QGZVFWFLSA-N	357.417	3.361	50	40	FGGB	
CCCSc1ncc(Cl)c(C(=O)NNC(=O)c2ccccc2C)n1	28287090	CNJJBAVBLBPPRN-UHFFFAOYSA-N	364.858	3.015	50	40	FGGB	
CC(C)(O)C1=C[C@@]23C[C@](C)(C(=O)O)[C@H]4CCCC[C@@]4(C)[C@H]2C[C@@H]1OO3	103942713	BMLNZARZCFTAMQ-BFAVYNAKSA-N	350.455	3.464	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C1\SCC(=O)N1c1ccccc1	5024617	VERBCEXZYCZNGG-RGEXLXHISA-N	365.414	3.149	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1	4865465	BEDFQVGNOXXRRA-GZTJUZNOSA-N	363.464	3.065	50	40	FGGB	
CC1(CC(=O)N/N=C/c2cccc(Br)c2)SCCS1	38534944	CDKFBIAPWUEBAZ-OQLLNIDSSA-N	359.314	3.486	50	40	FGGB	
N#CC1=C(N)OC2=C([C@@H]1c1c(Cl)cccc1Cl)S(=O)(=O)CCC2	606422347	SYDQAZDJVJUHMT-LBPRGKRZSA-N	371.245	3.221	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	941968	UQMAYVMHYNWSAK-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
C/C(=N\NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	6261775	MVRKUKADQICKOS-RQZCQDPDSA-N	362.729	3.310	50	40	FGGB	
N#CC1=C2SC[C@@](O)(c3ccccc3)N2C(=O)C[C@H]1c1cccs1	1066282	RBQXDCBQVOXYDO-FZKQIMNGSA-N	354.456	3.391	50	40	FGGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1cncc(Br)c1	1234825	IWOHZWZWRCQEFS-KEBDBYFISA-N	370.206	3.467	50	40	FGGB	
O=C(N/N=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccncc1	1405844	CIHGFAFUWPUDPM-UFFVCSGVSA-N	369.764	3.457	50	40	FGGB	
C/C(=N\NC(=O)c1n[nH]c(=O)c2ccccc12)C12CC3CC(CC(C3)C1)C2	57626260	YUMNEXWFHNIOLF-WSDLNYQXSA-N	364.449	3.245	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(C)C)cc2)cc1OC	408780996	PMLHEUDNCYPUTM-PTNGSMBKSA-N	351.406	3.315	50	40	FGGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1ccc(Cn2cccn2)o1	17074202	OAMWFGBFMJWTTG-MTJSOVHGSA-N	360.373	3.147	50	40	FGGB	
CC1=NN(c2ccccc2)C(=O)[C@H]1/C=C(/C#N)C(=O)Nc1ccccc1C	408743488	GDKZAGOSYJDRIG-XOQYZJNISA-N	358.401	3.422	50	40	FGGB	
CCCCc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC)cc2)cc1	3067899	KTQXZZBKTCRCJA-KGENOOAVSA-N	353.422	3.127	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)CSc2nc3ccccc3o2)cc1	1478017	LHDZZDUJTBGMKJ-NDENLUEZSA-N	355.419	3.469	50	40	FGGB	
O=C(CCC1(c2ccccc2)OCCO1)N/N=C/c1c[nH]c2ccccc12	658098	QYAVKKCIBOKZOQ-HZHRSRAPSA-N	363.417	3.298	50	40	FGGB	
NNC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N	1036757	VGDQFTARBQJRMV-UHFFFAOYSA-N	361.430	3.211	50	40	FGGB	
COc1ccc(SCC(=O)N/N=C\c2cc(OC)c(OC)cc2C)cc1	108265400	AHSLDYREFDWZSN-JAIQZWGSSA-N	374.462	3.263	50	40	FGGB	
Cn1cc(/C=N\NC(=O)COc2cccc3cccnc23)c2ccccc21	409016970	CCXAYESQIVTAEK-FMCGGJTJSA-N	358.401	3.256	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccccc2Cl)cc1Cl	3072787	ZRGRWGIFZVXUNB-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C2/CC(=O)CC(C)(C)C2)c1	100008155	YFFSTWSRWSVIOB-JCMHNJIXSA-N	357.454	3.274	50	40	FGGB	
COc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)NC3CC3)c2)cc1	3400722	PUKQTTOZXWXWMN-LFIBNONCSA-N	361.401	3.133	50	40	FGGB	
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(CCC)c32)cc1OC	5044943	QWLZVEVBCKNTDV-QGZVFWFLSA-N	368.437	3.378	50	40	FGGB	
COc1cc(Cl)c(/C=N/NC(=O)CC2(C)SCCS2)cc1OC	408591216	SBFZWRQHMZZLRP-RQZCQDPDSA-N	374.915	3.394	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1	409363400	LRFWNZPOKZQNHX-SXGWCWSVSA-N	351.358	3.421	50	40	FGGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OC2CSC2)cc1	408838018	QMRKHSMLIXNVIE-VXLYETTFSA-N	358.488	3.423	50	40	FGGB	
Cc1cc(O[C@H](C)C(=O)NNC(=O)c2ccccc2F)ccc1C(C)C	40140320	XYTMWBYGWRJGSI-CQSZACIVSA-N	358.413	3.486	50	40	FGGB	
CCCc1nc2c(o1)NC(N)=C(C#N)[C@H]2c1cnn(-c2ccccc2)c1C	1073663	MJDLNOXQQLEKPB-KRWDZBQOSA-N	360.421	3.373	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C)c(C)c1	8733230	XMSSWXBJBNOJAO-AWEZNQCLSA-N	355.276	3.312	50	40	FGGB	
COc1cccc(-c2[nH]nc3c2[C@H](c2ccccc2OC)C(C#N)=C(N)O3)c1	6733536	ZHFWJSADWCRNPJ-QGZVFWFLSA-N	374.400	3.312	50	40	FGGB	
O=C(CCl)N(C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C1CC1	79392768	YTKSAINAIXJRJJ-KRWDZBQOSA-N	364.873	3.408	50	40	FGGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc(Br)ccc1O	245226808	MBCOXVJKGCZOHJ-ABLYCFMTSA-N	351.244	3.431	50	40	FGGB	
NNC(=O)c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	226339860	QZXCRFYCIHXFHI-UHFFFAOYSA-N	373.609	3.424	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2c(C)n(C)c3ccccc23)c1	6571253	MREQWLUQJMWSPU-CIAFOILYSA-N	351.406	3.268	50	40	FGGB	
O=C(N/N=C/c1cc(Cl)c2cccnc2c1O)c1ccc([N+](=O)[O-])cc1	59459096	QQRMIRQQIGFFET-AWQFTUOYSA-N	370.752	3.266	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)/C=C/c1ccc(F)cc1	4691496	GNGDKKWEBLMTIU-RUDMXATFSA-N	362.788	3.027	50	40	FGGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)[C@H]1COc3ccccc3O1)CCC2	5785933	RHFVEDZZOVSLTO-LCMCWVSWSA-N	350.418	3.300	50	40	FGGB	
O=C(/C=C/c1ccc2c(c1)OCO2)NNc1c(F)c(F)cc(F)c1F	2624462	DTFFEIWSQFZDOU-DUXPYHPUSA-N	354.259	3.128	50	40	FGGB	
Cc1ccc(CN2C(=O)/C(=N\OC(=O)[C@H](C)Cl)c3ccccc32)cc1	3064115	DADPNIPLEYBOTE-ZCBJIMFGSA-N	356.809	3.416	50	40	FGGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c1	59334498	CSTWYGSYKVMQPR-ZDLGFXPLSA-N	365.433	3.184	50	40	FGGB	
CCCOc1ccc(Cl)cc1NC(=O)NNC(=O)c1cccc(O)c1	95460885	CSNQLJJWUNFSLG-UHFFFAOYSA-N	363.801	3.301	50	40	FGGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(N2CCOCC2)o1	103776575	KUXJVUKHAUUJTQ-DHDCSXOGSA-N	373.416	3.125	50	40	FGGB	
CN(C)c1cccc(C(=O)NNC(=O)c2ccccc2Cc2ccccc2)c1	3357338	PAGYTVNTSHGMEA-UHFFFAOYSA-N	373.456	3.418	50	40	FGGB	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)c(O)c2)C(C#N)=C(N)O3)cc1	5130240	OKAMWDKMHIGLHC-MRXNPFEDSA-N	360.373	3.015	50	40	FGGB	
N#C[C@H]1[C@@H](Br)[C@H](O)c2ccccc2N1C(=O)c1ccccc1	4350004	PKNLRSBYSSNFHC-ARFHVFGLSA-N	357.207	3.036	50	40	FGGB	
Cc1n[nH]c2c1[C@@H](c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)C(C#N)=C(N)O2	4815737	HMWPNLXCYARKDD-MRXNPFEDSA-N	363.333	3.105	50	40	FGGB	
COc1ccc(C(=NNC(=O)c2ccccn2)c2ccc(OC)cc2)cc1	199418303	JRDOABQPLIYLFC-UHFFFAOYSA-N	361.401	3.281	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccccc2)cc(Br)c1OC	1106654	HOXJDSMVNWGRDN-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
CCCOc1c(Br)cc(/C=C(\C#N)C(N)=O)cc1OCC	8120581	PNLJFAYCUFQFFZ-IZZDOVSWSA-N	353.216	3.029	50	40	FGGB	
COc1ccc(C)cc1NC(=O)C/C(C)=N/NC(=O)c1cccc(C)c1	5343234	RXRWRMCVXSGRLU-PXLXIMEGSA-N	353.422	3.447	50	40	FGGB	
CCc1ccc(NC(=O)C/C(C)=N/NC(=O)COc2ccccc2C)cc1	4416421	VNCGERISFSGVCF-XQNSMLJCSA-N	367.449	3.457	50	40	FGGB	
CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1	1748406	GLFONBITBIYJPS-QGZVFWFLSA-N	372.377	3.451	50	40	FGGB	
CCC/C(=N\NC(=O)CCC(=O)NCc1ccccc1)c1ccccc1	4523916	UYGLEAURDVIKFG-FCDQGJHFSA-N	351.450	3.404	50	40	FGGB	
CC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1OCCOc1ccc(C)c(C)c1	4511053	GWZCGRGVSMYBDD-UDWIEESQSA-N	371.393	3.139	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)CSCCc2ccccc2)cc1	408728152	WEMXRMHKZIEKCX-DEDYPNTBSA-N	356.447	3.038	50	40	FGGB	
COc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1C(=O)O	408772501	MFVOIYDOVNWDFU-NKVSQWTQSA-N	366.295	3.176	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)cc(OC)c2O)cc1	408810489	KTRUTLYMGGEHHC-AUWJEWJLSA-N	372.808	3.286	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1OC	34794492	QKRAFFXFXSEVMH-ZSOIEALJSA-N	367.361	3.466	50	40	FGGB	
COC(=O)c1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)cc1	408909928	IYPALJROZOEHQY-HYARGMPZSA-N	368.433	3.263	50	40	FGGB	
COc1ccc2nc(O)c(/C=N/NC(=O)/C=C/c3ccc(C)cc3)cc2c1	409062612	XRWJFGVQRBCBRV-QNUVFLEMSA-N	361.401	3.421	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)c(O)c1	2067475	YCQLEJUOQOUKBQ-AWQFTUOYSA-N	362.813	3.200	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	832758	XBYGIQZMWSIZFZ-FOWTUZBSSA-N	350.374	3.174	50	40	FGGB	
N#CC1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1c[nH]c2ccccc12	17073280	WNNVOUUEGHJBQG-KRWDZBQOSA-N	354.369	3.228	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C\[C@H]2CC=CCC2)c(=O)n(-c2ccccc2)n1C	102677251	QAPMBUJIRRZXSL-MUBYSKIDSA-N	362.433	3.229	50	40	FGGB	
Cc1c(C(=O)NNC(=O)c2ccc(-c3cnco3)cc2)oc2ccccc12	54147290	IKPPVZCGRFLUSU-UHFFFAOYSA-N	361.357	3.471	50	40	FGGB	
C=CCOc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1	59515542	YSYAIYYOIZQDII-CIAFOILYSA-N	371.824	3.302	50	40	FGGB	
CCc1cc(SC#N)ccc1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2	7927906	QZKFCRFOSDTVOZ-UHFFFAOYSA-N	373.459	3.118	50	40	FGGB	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)Nc1ccc(O)cc1	408792714	BOUITQOSNWDMGB-YRNVUSSQSA-N	359.179	3.406	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(Br)cc2)c1	3152780	MTFJECJDUPKGLQ-VCHYOVAHSA-N	360.211	3.171	50	40	FGGB	
Cc1cc(OCC(=O)NNC(=O)c2cc3ccccc3o2)ccc1Cl	839120	WGJJEQAOIAAPIS-UHFFFAOYSA-N	358.781	3.235	50	40	FGGB	
COC(=O)N/N=C/c1ccc(OC[C@@H](C)COc2ccccc2)c(OC)c1	4525992	WUUPORPFJXHWQE-NGZBARDMSA-N	372.421	3.479	50	40	FGGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\C#N)C(=O)N2CCCC2)o1	409368738	KKXMOKQSPKSMHZ-XNTDXEJSSA-N	350.374	3.483	50	40	FGGB	
Cc1ccc(Cn2c(C)cc3c(c2=O)[C@H](c2ccco2)C(C#N)=C(N)O3)cc1	2197683	LWUUGLHREYTYIQ-IBGZPJMESA-N	373.412	3.325	50	40	FGGB	
N#CC(C(=O)COC(=O)/C=C/c1cccc(F)c1)=C1Nc2ccccc2N1	3278574	YMZABBBGEOAZQN-CMDGGOBGSA-N	363.348	3.224	50	40	FGGB	
C#CCOc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1	20760692	KRGIYWQQTHSLQI-XDHOZWIPSA-N	357.207	3.225	50	40	FGGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccnc3)o2)cc1[N+](=O)[O-]	4743354	ZXANMFOEXJBVHQ-RGVLZGJSSA-N	350.334	3.322	50	40	FGGB	
CS(=O)(=O)[C@@H](Br)[C@@H](O)c1ccc(-c2ccccc2)cc1	96519003	SIWPZBOJBULMML-LSDHHAIUSA-N	355.253	3.153	50	40	FGGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2)nc2ccccc12	871008	QXPWKSAUCWCUMA-KEBDBYFISA-N	367.430	3.197	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1Cc1cccc(Br)c1	226365729	QWJUKKKQAHFSOQ-UHFFFAOYSA-N	358.239	3.364	50	40	FGGB	
O=C(N/N=C/c1ccc(OC/C=C/Cl)cc1)c1cccc([N+](=O)[O-])c1	3101317	UWFFGHFVGBYQRC-ARTIUUFBSA-N	359.769	3.490	50	40	FGGB	
COc1ccc(C(=O)OC[C@H](Br)CBr)cc1	2045437	LLPNTKVLHMXMAX-SECBINFHSA-N	352.022	3.010	50	40	FGGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(Br)ccc2O)cc1	59447273	YXDFTBPBZOUPGD-VCHYOVAHSA-N	363.211	3.317	50	40	FGGB	
CCOc1cc(/C=C(\C#N)c2nc(N)nc(Nc3ccccc3)n2)ccc1O	11183384	JUWFGWVXCYQSLC-GXDHUFHOSA-N	374.404	3.366	50	40	FGGB	
O=C(CCl)N1CCC[C@@H](CN(C(=O)OCc2ccccc2)C2CC2)C1	79412138	ZNRFAQHYUFUUJF-MRXNPFEDSA-N	364.873	3.265	50	40	FGGB	
Cc1ccc2occ(/C=N/NC(=O)COc3ccccc3Cl)c(=O)c2c1	953583	SCSLSGYTYISUSA-ZVBGSRNCSA-N	370.792	3.284	50	40	FGGB	
O=C(CCl)NC1CCC(CC2CCC(NC(=O)CCl)CC2)CC1	6855087	MZQIYZWFVMTKQW-UHFFFAOYSA-N	363.329	3.204	50	40	FGGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)NCc2ccco2)c(Br)c1	2302620	JNZWMMFXWABARU-MDWZMJQESA-N	374.238	3.331	50	40	FGGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1cc(O)ccc1O	4871446	AFAKWDIAYPYRRH-KGENOOAVSA-N	356.422	3.449	50	40	FGGB	
CN(C)c1ccc(C(=O)NN=C(CC(=O)c2ccco2)C(F)(F)F)cc1	408954087	MZMBPXYJSSUNIP-UHFFFAOYSA-N	367.327	3.267	50	40	FGGB	
CC(C)Cc1nn2c(/C=C(\C#N)C(N)=O)c(-c3ccccc3)nc2s1	41074201	OCSWVGQCUCNMLL-UKTHLTGXSA-N	351.435	3.049	50	40	FGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc3c(c2)OCO3)c1	59473011	SDPFYJAYXXHPGM-AWQFTUOYSA-N	356.447	3.416	50	40	FGGB	
CSCC[C@H](NC(=O)c1ccccc1)C(=O)N/N=C(\C)c1ccccc1	5003110	BZRLUNMUKBEJMD-LUJYGJGBSA-N	369.490	3.079	50	40	FGGB	
CCCNC(=O)/C(C#N)=C/c1cc(Br)c(OC)c(OCC)c1	4599283	CUUNUYMJOBBLTH-KPKJPENVSA-N	367.243	3.290	50	40	FGGB	
O=C(N/N=C/c1ccc(O)cc1)c1cccc(N/N=C/c2ccc(O)cc2)c1	4863560	RCOAEHIFUXAUKG-MSKUYSOUSA-N	374.400	3.308	50	40	FGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(=O)Nc2ccccc2)c1C	408972930	XBKKSKKHUXGYDV-OEAKJJBVSA-N	374.444	3.491	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C(=O)O)cc1	408830415	MTQOOUPSZLFGOK-GZTJUZNOSA-N	351.358	3.434	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(OC)cc2OC)cc1	45363796	LUJCUOFBMGCAHD-GZTJUZNOSA-N	366.417	3.326	50	40	FGGB	
COC(=O)c1ccccc1-c1ccc(/C=N/NC(=O)c2ccccc2O)o1	8103042	RFZRJUSPDKGMRI-CIAFOILYSA-N	364.357	3.203	50	40	FGGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)cc1	6159404	CRLRRMFAJNMDHT-UDWIEESQSA-N	355.394	3.291	50	40	FGGB	
CCOC(=O)c1ccc(C(=O)[C@@H](Br)CBr)cc1	575361682	FVUPQKGVCVNZIA-JTQLQIEISA-N	364.033	3.204	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3c2ccc2cccnc32)cc1OC	873345	YMSVDEVETXMGSR-GOSISDBHSA-N	359.385	3.470	50	40	FGGB	
Cc1ccc(C(=O)Nc2cccc(/C=N/NC(=O)c3cccnc3)c2)cc1	3335054	PXEGSJMKGLRHMK-YDZHTSKRSA-N	358.401	3.406	50	40	FGGB	
CCOC(=O)[C@H](/C(C)=N/NC(=O)c1ccc(Br)cc1)C(C)C	4066483	KHTZSURMPYZJQH-BGARDKSCSA-N	369.259	3.390	50	40	FGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccccc2C(=O)O)c1	4513138	PTVBMPFMXHOVOH-KEBDBYFISA-N	356.447	3.385	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408933879	AUPADTOVDBFENA-HJGVYBFFSA-N	368.481	3.076	50	40	FGGB	
COc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc(Cl)c1O	14134476	XPAVYKMZXGSLSD-DJKKODMXSA-N	353.205	3.400	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NN=Cc1ccc(F)cc1	16525212	RJVJESHMKOUMMF-UHFFFAOYSA-N	373.387	3.444	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1	1698000	SRPAZLBNQALCOV-JJIBRWJFSA-N	374.440	3.472	50	40	FGGB	
CCCN(CCC)C(=O)CSC1=C(C#N)[C@@H](c2ccccc2)CC(=O)N1	6323812	BNJQGVDNLVCESK-MRXNPFEDSA-N	371.506	3.407	50	40	FGGB	
COc1cc(C(=O)NNC(=O)c2cccc(Cl)c2)ccc1OC(F)F	7795357	NHDYIXPCKYOLOQ-UHFFFAOYSA-N	370.739	3.025	50	40	FGGB	
O=C(N/N=C/c1ccc(-n2ccnc2)cc1)c1cc2ccccc2cc1O	7900020	YQZFOKUAZIXNCG-YDZHTSKRSA-N	356.385	3.495	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(OC)cc1	4675314	GOYPABYKTNRMKS-FOWTUZBSSA-N	351.358	3.384	50	40	FGGB	
O=C(N/N=C\c1cc(Br)cc(Cl)c1O)c1ccccc1O	4702438	XEGCUJRIEGAHPA-IDUWFGFVSA-N	369.602	3.278	50	40	FGGB	
C/C(=N\NC(=O)c1ccccc1)c1cccc(I)c1	408773356	IGIUBPFMBRJVDG-GZTJUZNOSA-N	364.186	3.445	50	40	FGGB	
O=C(N/N=C/C=C/c1ccc(Br)cc1)[C@H](O)c1ccccc1	4889165	VVLQLFGYGKEKOB-YGOXWZMLSA-N	359.223	3.298	50	40	FGGB	
COc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1OC	919216	OTMRPLGOANUAQE-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
Cn1cc(/C=N/NC(=O)c2cncc(Br)c2)c2ccccc21	1234856	FMXOGBGZKAVDHU-UFWORHAWSA-N	357.211	3.100	50	40	FGGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C(C#N)=C(N)O2	3035064	ADFPARWEYLMQFB-FQEVSTJZSA-N	371.444	3.465	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)ccc1N1CCOCC1	107814692	ZCVOPRBFBCDIOU-LGMDPLHJSA-N	363.417	3.083	50	40	FGGB	
CC1(C)[C@@]2(CBr)CC[C@@]1(C(=O)O)c1nc3ccccc3nc12	100836963	KPQVWAURDKBYOT-SJORKVTESA-N	361.239	3.419	50	40	FGGB	
Cc1cccc(C(=O)N/N=C\c2ccc(I)cc2)c1	408969579	QHGMWTZFIYILGK-YVLHZVERSA-N	364.186	3.364	50	40	FGGB	
CSc1ccc(/C=N/NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1	8169581	PKVAPXFOVFGKNE-FVUPAENESA-N	371.437	3.051	50	40	FGGB	
CCOc1ccc(-c2n[nH]c3c2[C@H](c2cccnc2)C(C#N)=C(N)O3)cc1	5051867	NJXHWPINFJBNAY-MRXNPFEDSA-N	359.389	3.089	50	40	FGGB	
CCOc1ccc(/C(CCC(=O)O)=N/NC(=O)c2ccc(F)cc2)cc1	5517940	AYNZTWQLDPSYSE-HEHNFIMWSA-N	358.369	3.223	50	40	FGGB	
O=C(/C=C/c1ccco1)Oc1cccc(/C=N/NC(=O)c2ccncc2)c1	4721655	ZTYRJHBSBDDYEC-WVBMQZLASA-N	361.357	3.057	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1C(=O)N/N=C/c1c(C)[nH]c2ccccc12	409171894	CVBLNSXXSTZVAD-VXLYETTFSA-N	352.350	3.157	50	40	FGGB	
CCOC(=O)c1ccc(C(=O)[C@H](Br)CBr)s1	309549498	JQWCBOUMKZEGEJ-ZCFIWIBFSA-N	370.062	3.266	50	40	FGGB	
O=C(Cc1cn2ccsc2n1)N/N=C/c1ccc(N2CCCCC2)cc1	6210258	LTJRLGGXELLQEN-DEDYPNTBSA-N	367.478	3.079	50	40	FGGB	
COc1cc(/C=N/NC(=O)CC2(C)SCCS2)cc(Cl)c1O	6348119	JVTHSTLLZFJFQT-LZYBPNLTSA-N	360.888	3.091	50	40	FGGB	
CCOC(=O)c1cccc(N2C=C(C#N)S(=O)(=O)c3ccccc32)c1	38487977	NNMRVCKIJWLPHN-UHFFFAOYSA-N	354.387	3.154	50	40	FGGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1OCC	6948744	WWGHGYBYAKTLOD-GXDHUFHOSA-N	353.403	3.099	50	40	FGGB	
N/C(CCSS(=O)(=O)O)=N/CC(c1ccccc1)c1ccccc1	31723285	ALVZHZWLMZVWIT-UHFFFAOYSA-N	364.492	3.102	50	40	FGGB	
CCOc1ccc(CCCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	5872989	LFKDUDMMTKOHNF-XSFVSMFZSA-N	355.394	3.467	50	40	FGGB	
C[C@@H](Oc1ccccc1)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	5578979	GEQMCDCQHNVTJS-LFPRZYRFSA-N	356.466	3.208	50	40	FGGB	
Cc1ccc(C)c(NC(=O)CCC(=O)NNC(=S)Nc2ccccc2)c1	13554705	LCKYBHFSXFDROU-UHFFFAOYSA-N	370.478	3.040	50	40	FGGB	
Cc1cccc(C(=O)NNC(=O)c2cccc(NC(=O)c3ccccc3)c2)c1	409223815	IIMQBGAFRONFKD-UHFFFAOYSA-N	373.412	3.322	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)CN1Cc2cc(C)c(C)cc2C1	409198526	HGNZMHNJKHVZKK-SSDVNMTOSA-N	351.450	3.168	50	40	FGGB	
O=C(NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]1c1ccc(F)cc1	40158854	RYNVSLDYBBSEFL-USTZCAOPSA-N	356.372	3.019	50	40	FGGB	
C/C(=N\NC(=O)CSc1nnc(C)s1)c1ccc(-n2cccc2)cc1	5185826	WSYKPWHHKSWLLX-LDADJPATSA-N	371.491	3.270	50	40	FGGB	
Cc1cc(Cl)ccc1OCC(=O)NNC(=O)c1ccc(Cl)cc1	5724975	RRIHNFHVXSUQLQ-UHFFFAOYSA-N	353.205	3.142	50	40	FGGB	
CCOC(=O)c1cccc(C(=O)[C@H](Br)CBr)c1	575362216	OAAUTKIEMZANQO-SNVBAGLBSA-N	364.033	3.204	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)NNC(=O)c1ccc(Cl)cc1	3099024	KTGHVAHNOHIUBP-UHFFFAOYSA-N	373.623	3.487	50	40	FGGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	8558480	DTUQAMFZAUPEIL-FYJGNVAPSA-N	352.438	3.111	50	40	FGGB	
Cc1cc(/C=N/NC(=O)C(=O)NC(C)(C)C)c(C)n1-c1ccc(Cl)cc1	58911381	IPFXBXQENBHWDM-SRZZPIQSSA-N	374.872	3.112	50	40	FGGB	
O=C(N/N=C/c1c[nH]c2ccc(Br)cc12)c1ccc(O)cc1	3238724	BACMIZWRVLLUMW-DJKKODMXSA-N	358.195	3.400	50	40	FGGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCOCC2)c1C	409003257	YWXGFXZQJRBCLP-MOSHPQCFSA-N	363.461	3.477	50	40	FGGB	
COc1ccc2c(c1)c(C(=O)N/N=C\c1ccccc1[N+](=O)[O-])c(C)n2C	33335045	JAJFVGQIMZYEJX-JAIQZWGSSA-N	366.377	3.167	50	40	FGGB	
COc1ccccc1C(=O)N/N=C/c1ccc(-c2ccccc2C(=O)O)o1	409263751	BWOCFRFYWXJKNB-CIAFOILYSA-N	364.357	3.417	50	40	FGGB	
O=C(N/N=C/c1ccc(I)o1)c1cccc(Cl)c1	6220608	ZMPUOHNSOABJKA-VIZOYTHASA-N	374.565	3.302	50	40	FGGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)N3CCOCC3)cc21	208204914	MTNBMRPNMLWJHS-QJISPJEISA-N	353.466	3.174	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(OC)c2)cc1	5996563	GEJICPKWJVENCS-GDNBJRDFSA-N	366.373	3.123	50	40	FGGB	
O=C(NCC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)NNc1ccc(Cl)nn1	103310210	YXDHGBNVLPUFCE-CHISNJGVSA-N	370.284	3.334	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(OC)c(O)c(OC)c2)cc1	6947465	ZHLRRRABHPWFLN-ZROIWOOFSA-N	368.389	3.354	50	40	FGGB	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1O	2307921	IFBQDFGSZBJDDW-UHFFFAOYSA-N	359.596	3.427	50	40	FGGB	
CCCSC1=C(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)OC)C(=O)N1	12249945	WJFZJNGNMJQDSB-KBPBESRZSA-N	364.854	3.221	50	40	FGGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1ccccn1	409009058	SNCQLLAPBHVIFU-UDWIEESQSA-N	369.222	3.399	50	40	FGGB	
N/C(=N\OC(=O)CCl)c1ccc(OCc2ccc(Cl)cc2)cc1	4280551	KKFQRONWNQDGHH-UHFFFAOYSA-N	353.205	3.321	50	40	FGGB	
O=C(N/N=C/c1ccc(I)cc1)c1ccc(F)cc1	8812164	PPVPOCMQAVMREM-RQZCQDPDSA-N	368.149	3.194	50	40	FGGB	
O=C(Cn1ncc(=O)c2ccccc21)NN(c1ccccc1)c1ccccc1	12980935	MTEOJUQKERYMQT-UHFFFAOYSA-N	370.412	3.266	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CCc2ccc(O)c(O)c2)c2ccccc12	13321842	KQIOZZUJECHFQI-LPYMAVHISA-N	364.401	3.343	50	40	FGGB	
COCCCNC(=O)N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21	83902573	PQGOLTBEBQIOIE-YQPBSLOJSA-N	353.422	3.250	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)N2C(=N1)SC(C#N)=C2N	408606855	RNWNWMJLCTXWCN-HNNXBMFYSA-N	372.425	3.162	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCCC2)cc1	33672221	ZJQWWSZUBIEDOC-QNGOZBTKSA-N	366.421	3.278	50	40	FGGB	
Cc1cc(/C=N\NC(=O)CC#N)c(C)n1-c1sc2c(c1C#N)CCCC2	408998195	IJMVQBALAQQOJN-JJFYIABZSA-N	365.462	3.270	50	40	FGGB	
COc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(C(=O)O)c3)o2)cc1	408868601	PKHPGZFFGQKYBT-MTJSOVHGSA-N	364.357	3.417	50	40	FGGB	
Cc1cc(C)c2c(c1)/C(=N/NC(=O)Cn1ccc(C(F)(F)F)n1)CCC2	33044082	NZMIJPNOWAZHKG-PXLXIMEGSA-N	364.371	3.376	50	40	FGGB	
CC1CCN(C(=O)[C@]23CC[C@](C)(C(=O)[C@H]2Br)C3(C)C)CC1	2140287	BWDCQGOQXIOZPI-JLZZUVOBSA-N	356.304	3.404	50	40	FGGB	
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cccs1	4750812	LJWICSHRTYNHIA-CIAFOILYSA-N	361.426	3.367	50	40	FGGB	
N#C/C(=C/[C@@H]1C[C@H](Br)CC[C@@H]1O)C1CCC([N+](=O)[O-])CC1	104159634	SXOQXIKFVOWXTB-GQEHQWHOSA-N	357.248	3.196	50	40	FGGB	
CCCCN1C(=O)/C(=N/NC(=O)COc2ccc(C)cc2)c2ccccc21	5737831	CFDNZWJDHHRXPI-BSYVCWPDSA-N	365.433	3.041	50	40	FGGB	
COc1ccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1	409240284	SFTDEQRMEPAWRG-HMAPJEAMSA-N	351.381	3.318	50	40	FGGB	
COc1cccc(-c2n[nH]c3c2[C@@H](c2ccsc2)C(C#N)=C(N)O3)c1	5139249	NQRGIICELSOXOP-AWEZNQCLSA-N	350.403	3.365	50	40	FGGB	
O=C1O[C@H]2CC[C@@H](Br)C[C@H]2C=C1C1CCC([N+](=O)[O-])CC1	5328160	KQVPHROCNMQHTB-AYWDATEVSA-N	358.232	3.237	50	40	FGGB	
O=C(N/N=C1\C(O)=Nc2c(Br)cc(F)cc21)c1ccccc1	6474567	DXRMJKHWFXHBCW-UHFFFAOYSA-N	362.158	3.324	50	40	FGGB	
CC(C)c1ccc(/C=N/NC(=O)CCCNC(=O)c2ccccc2)cc1	3283005	LJVLXZNGXWKRRM-HZHRSRAPSA-N	351.450	3.470	50	40	FGGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(OCCOC)cc2s1	20132436	HMZUMHURFNHMID-SNVBAGLBSA-N	373.272	3.434	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)CNc2ccc(C)cc2)c2ccccc21	408535592	YZMIAYUGELMMTI-ZVHZXABRSA-N	358.445	3.454	50	40	FGGB	
Cc1cc(/C=N/NC(=O)[C@@H](O)c2ccccc2)c(C)n1-c1ccc(F)cc1	408588638	JERPCBHUKSAGKS-IYHCKTHZSA-N	365.408	3.417	50	40	FGGB	
O=C(CCl)N[C@H](CC(=O)Oc1ccccc1)c1ccc(F)cc1F	1615055971	VOGYPEHFYBEQGQ-OAHLLOKOSA-N	353.752	3.357	50	40	FGGB	
O=C(N/N=C/c1ccccc1O)C1CCN(Cc2ccc(Cl)cc2)CC1	5636511	SHFAKBVSJCPFKA-LPYMAVHISA-N	371.868	3.408	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)NC(SCC(N)=O)=C(C#N)[C@H]2c1cccs1	16577805	MVCFCBBMYSQPNJ-HNNXBMFYSA-N	373.503	3.032	50	40	FGGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(-n3ccnc3)cc2)cc1OC	5071410	QEFXTIBCBGNUBK-HYARGMPZSA-N	364.405	3.044	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1	6772922	ABFBCNUTUSHALV-KRWDZBQOSA-N	374.400	3.312	50	40	FGGB	
CNC(=S)NNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12	6846281	OAELXKAZALTJJX-UHFFFAOYSA-N	364.474	3.257	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1OC	408963386	BKKXWXTWPHDSGO-VXLYETTFSA-N	369.333	3.122	50	40	FGGB	
CCn1c(SCC(=O)N/N=C(/C)c2ccc(O)cc2)nc2ccccc21	4936275	OPCVIKKTVLUEBT-BKUYFWCQSA-N	368.462	3.394	50	40	FGGB	
Cc1cccc(OCCCC(=O)NNC(=O)CNc2ccc(C)cc2C)c1	6251656	IMTZCPWQFGZCQK-UHFFFAOYSA-N	369.465	3.030	50	40	FGGB	
COc1cc(OC)c(/C=N/NC(=O)c2ccc(C)o2)cc1Br	5547630	PQFOUTSCAKJIBD-CAOOACKPSA-N	367.199	3.132	50	40	FGGB	
CCC[C@H](C(=O)OCC)/C(C)=N\NC(=O)COc1ccc(Cl)c(C)c1	408952074	JUPNZCFYTRLXHY-HYTQYMIGSA-N	368.861	3.499	50	40	FGGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cccc(OCC(=O)O)c1	408802475	YHOLCMSIQOSZDR-OQLLNIDSSA-N	366.373	3.013	50	40	FGGB	
CN(C)c1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1	408822176	HSUQYHZXULYENS-FOWTUZBSSA-N	354.417	3.456	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)COc2ccccc2OC)cc1OCC	40911391	ZMDBSMNGWFNYOV-FYJGNVAPSA-N	372.421	3.022	50	40	FGGB	
C/C(=N\NC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1ccccn1	20885167	LYDFXGONPGMOKA-CGOBSMCZSA-N	358.616	3.173	50	40	FGGB	
CCC[C@H](Br)C(=O)NCCC(=O)Nc1ccc(C)cc1C	8733170	GPFFBZFKWACFET-ZDUSSCGKSA-N	355.276	3.312	50	40	FGGB	
CN(NC(=O)c1ccc(I)cc1)c1ccccc1	10737540	AANKVHRNRWRBIO-UHFFFAOYSA-N	352.175	3.072	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2ccccn2)c(C)n1[C@H](C)c1ccccc1	24480177	WUTDFCRMAUQEFS-OAHLLOKOSA-N	362.433	3.184	50	40	FGGB	
C[C@@H]1CCCC[C@@H]1NC(=S)NNC(=O)CCc1c[nH]c2ccccc12	3440987	JBDRNBLPJDOKHW-CJNGLKHVSA-N	358.511	3.175	50	40	FGGB	
N#Cc1cc(Cl)nc(NNC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1	93546906	AILSUTNHGWKCCT-BEFAXECRSA-N	352.825	3.344	50	40	FGGB	
N#C/C(=C/c1c[nH]nc1-c1ccc(F)cc1)C(=O)NCCc1ccccc1	5729017	WOFHASGCBHGGNB-ATVHPVEESA-N	360.392	3.482	50	40	FGGB	
O=C(O)c1cccc(-n2cccc2/C=N/NC(=O)c2ccc(F)cc2)c1	409105425	JGDZVFAVSFNOSE-CIAFOILYSA-N	351.337	3.079	50	40	FGGB	
C[C@H](Oc1ccccc1)C(=O)N/N=C/c1cc(Br)ccc1O	1449752	UXJOVLPNUICFPN-HPAYWCODSA-N	363.211	3.072	50	40	FGGB	
COc1ccc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)c(OC)c1	12978891	BNTYTSULBYEHIB-UHFFFAOYSA-N	362.254	3.156	50	40	FGGB	
CCOC(=O)c1ccc(NC(=O)C/C(C)=N/NC(=O)C2CCCCC2)cc1	4550628	AOPUNNDCBSUIAC-HYARGMPZSA-N	373.453	3.264	50	40	FGGB	
O=C(NN=C1CCCCC1)c1nc2ccccc2c(=O)n1Cc1ccccc1	4519836	SBRWGHMKIDVABX-UHFFFAOYSA-N	374.444	3.495	50	40	FGGB	
CCOC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	408986665	SDVAQXMPKDDCJM-SFQUDFHCSA-N	364.401	3.483	50	40	FGGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(O)c([N+](=O)[O-])c1	36020508	MYJOSFZMYFLYIT-SRZZPIQSSA-N	364.361	3.016	50	40	FGGB	
CCCCOc1ccc(C(=O)n2cc(C(=O)NN)c3ccccc32)cc1	216958416	WHILYPPHZPGRJX-UHFFFAOYSA-N	351.406	3.112	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)COc1ccc(C(C)C)cc1	216723007	RWMWBKNWECKEGT-UHFFFAOYSA-N	365.433	3.396	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	5544499	XMVMHGNVVAKKKT-DJKKODMXSA-N	350.205	3.391	50	40	FGGB	
Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccc(Cl)cc2Cl)c1	727755	JBNTUYKOROUFNA-UHFFFAOYSA-N	367.232	3.450	50	40	FGGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)cc1	59333703	NBIVCEOOJOMQAF-PDGQHHTCSA-N	365.433	3.266	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1cc2ccc(C)cc2[nH]1	40058338	QOFRRTIMSXDIBS-UHFFFAOYSA-N	357.797	3.213	50	40	FGGB	
Cc1occc1C(=O)NNC(=O)c1cccc2c3c([nH]c12)CC[C@H](C)C3	40088763	DYIWLDIACNEGBJ-NSHDSACASA-N	351.406	3.269	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C\c2cc3c(cc2Cl)OCO3)c(C)c1	30843117	KSOWIMVGWPAEDB-ZBKNUEDVSA-N	360.797	3.215	50	40	FGGB	
C[C@H]1CC(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccccc2C(F)(F)F)O1	1073728	SGXISDZONFGUIN-SDBXPKJASA-N	350.296	3.103	50	40	FGGB	
Cc1ccc(-n2ncc3c(NNC(=O)CCc4ccccc4)ncnc32)cc1	4355165	LYOSTRAISGHARA-UHFFFAOYSA-N	372.432	3.200	50	40	FGGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccccc1C(F)(F)F	59459517	GBWWRASLVFBXGN-UFWORHAWSA-N	352.341	3.487	50	40	FGGB	
Cc1ccc(CC(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1	8187464	LVKZOXYJIJFOQG-UHFFFAOYSA-N	374.440	3.431	50	40	FGGB	
Cc1cccc(C)c1OCC(=O)N/N=C/C=C/c1ccccc1[N+](=O)[O-]	8497127	RAMYUNPGZGZICS-UPINRHINSA-N	353.378	3.406	50	40	FGGB	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2cccc(Cl)c2)c1OC	3167438	QYDNFASILOQLIQ-DQAKUKQTSA-N	362.813	3.275	50	40	FGGB	
N#C/C(=C\c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)c1nc2ccccc2[nH]1	5324000	WFBOBIXAMOBKJX-BJMVGYQFSA-N	351.278	3.149	50	40	FGGB	
CCOc1cccc2sc(NNC(=O)c3cc(OC)cc(OC)c3)nc12	4121331	FXTNTHLPIUEHBQ-UHFFFAOYSA-N	373.434	3.469	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)o2)cc(Br)c1O	6595492	ADDKHGPREDHQOF-CAOOACKPSA-N	367.199	3.219	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)CC(=O)Nc2cccc(C(F)(F)F)c2)cc1	1421641	HWJHNDTUBGHNLY-SSDVNMTOSA-N	363.339	3.493	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C/c1ccc(N2CCCCC2)s1	5687996	OGLVYWSXAFYVRN-FYJGNVAPSA-N	372.494	3.309	50	40	FGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cc(OCC)ccc1OCC	728373	DFKNADWELMMKQM-GOSISDBHSA-N	372.421	3.129	50	40	FGGB	
CCc1cc2cccc(C)c2nc1SCC(=O)NNC(=O)c1ccco1	4849290	UUHNULKSYOXUNI-UHFFFAOYSA-N	369.446	3.252	50	40	FGGB	
COc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1O	1499483	RFVLPFSOMCFMOI-UFWORHAWSA-N	369.204	3.237	50	40	FGGB	
CC(C)CC(=O)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1	20244086	WAKOJVNMCPRUEB-FYJGNVAPSA-N	353.422	3.200	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc(Cl)c1OC	408967664	RLXCSPABDOWJMR-ZVBGSRNCSA-N	361.760	3.132	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cc(C)ccc2C)c1C	408936831	IPYVNIJFDNGLMZ-HJGVYBFFSA-N	368.481	3.076	50	40	FGGB	
Cc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccccc3)=C2C#N)o1	2371907	BUXJHPJBWOYDGT-AWEZNQCLSA-N	367.430	3.299	50	40	FGGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1	1452631	LMRZQHZZRHYCMY-QGOAFFKASA-N	372.428	3.339	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CSc2ncccn2)c(C)n1-c1ccccc1	58915164	MQSHIHCMGNLIDW-WSDLNYQXSA-N	365.462	3.127	50	40	FGGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C1\C(=O)Nc2ccccc21	59474288	JCDVUWHSFSFMDZ-SNVBAGLBSA-N	359.838	3.293	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OC(C)=O	59117187	JBHCWHFQNZPASL-ZROIWOOFSA-N	354.337	3.305	50	40	FGGB	
CCOC(=O)/C(C#N)=C1\CCCCC[C@@H]1/C(SC)=C(/C#N)C(=O)OC	100993086	YRYSTGGQKLBVCQ-PKVSNGMISA-N	362.451	3.264	50	40	FGGB	
C/C(CC(=O)NCc1ccc(Cl)cc1)=N\NC(=O)c1ccccc1F	100090542	DUISHBGRWCZFSH-WSDLNYQXSA-N	361.804	3.291	50	40	FGGB	
O=C(Cn1c(-c2ccccc2)cc2ccccc21)NNC(=O)c1ccncc1	4711963	LAYYUZOSTAKDJX-UHFFFAOYSA-N	370.412	3.165	50	40	FGGB	
CCCCOc1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)[nH]n2)cc1	4994972	PCYNIJHHOOMZPM-HYARGMPZSA-N	363.421	3.415	50	40	FGGB	
COC(=O)COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408743558	BBRUPRCNKYOETF-UVTDQMKNSA-N	370.792	3.437	50	40	FGGB	
CC[C@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2ccc(C)cc2C)c1C	408938898	MDCVWOSTPBGGNE-OOXYOOLHSA-N	368.481	3.076	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(Br)cc1	226366588	KFONGNPRJJUAKE-UHFFFAOYSA-N	372.222	3.004	50	40	FGGB	
Cc1c(OC[C@H](O)CCl)ccc2c(C)c(OC[C@H](O)CCl)ccc12	1889128720	RHTQQSMGNUGGLB-ZIAGYGMSSA-N	373.276	3.414	50	40	FGGB	
O=C(NNC(=S)Nc1ccccc1)c1cc(Cl)c(O)c(Cl)c1	3075281	NSUGWHLCRKDDPG-UHFFFAOYSA-N	356.234	3.330	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc(OC)c1OC	44028884	UUXRWOFTGAMALN-MKMNVTDBSA-N	367.357	3.231	50	40	FGGB	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(CSC(F)F)o1	12920710	MWZXZZKBJPPRGN-UHFFFAOYSA-N	360.769	3.464	50	40	FGGB	
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OCCCl)=C(C)N1	68606395	UESDNNZBXCFCAU-INIZCTEOSA-N	361.785	3.135	50	40	FGGB	biogenic
CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1	867704	KYMOOSTUIOOFEN-CIAFOILYSA-N	352.369	3.378	50	40	FGGB	
C/C(N)=C(\C#N)C(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1	104651405	BSUGYWKGOPAIKB-BYPKUAFPSA-N	370.405	3.296	50	40	FGGB	
CCCOc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1	216065232	ZSACTWGGVJRDOI-KGENOOAVSA-N	354.406	3.401	50	40	FGGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	3082584	UCEZBCCZANTKDZ-UDWIEESQSA-N	368.393	3.343	50	40	FGGB	
CC1=NN(c2ccccc2)[C@H]2OC(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)[C@H]12	5416520	LFEYLUPXCSUZMC-ZVDOUQERSA-N	374.400	3.061	50	40	FGGB	
CCn1c(SCC(=O)N/N=C/c2ccc(C)o2)nnc1-c1ccccc1	863942	LUYKWAFWGXVYRK-YBFXNURJSA-N	369.450	3.109	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)cc1F	989277	LFLMJVIHVGVIPM-AWEZNQCLSA-N	363.186	3.403	50	40	FGGB	
O=C(N/N=C\c1cc(Cl)cc([N+](=O)[O-])c1O)c1ccc(Cl)cc1	12406831	WNDIJTRSXIBMEV-IDUWFGFVSA-N	354.149	3.371	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1	409260573	SHXNMOPPMZLOTC-DEDYPNTBSA-N	370.409	3.214	50	40	FGGB	
N#CC1=C(SCc2ccc([N+](=O)[O-])cc2)NC(=O)C[C@H]1c1ccco1	409123651	DBNOEFIJNRJNDC-CYBMUJFWSA-N	355.375	3.460	50	40	FGGB	
Cc1cc(C)nc(SCC(=O)N/N=C/c2c(O)ccc3ccccc23)n1	2369935	RFSVUGNDVWRRHX-KEBDBYFISA-N	366.446	3.195	50	40	FGGB	
COc1ccccc1NCC(=O)N/N=C/c1c(C)n(C)c2ccccc12	1088189	HVQRDBZYMRZVDN-WSDLNYQXSA-N	350.422	3.058	50	40	FGGB	
COCc1n[nH]c2c1[C@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2	4643791	VIKHBTMFWRXMQG-GOSISDBHSA-N	358.401	3.441	50	40	FGGB	
N#CCn1cc(/C=N\NC(=O)COc2cccc(Cl)c2)c2ccccc21	34705087	RFABBJOROREQGY-JJFYIABZSA-N	366.808	3.347	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c(O)c1	5100141	LVKKZSDKLRNZGG-LPYMAVHISA-N	369.465	3.384	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2c(C)cc(O)cc2O)cc(C)c1Cl	30937407	MJDBABWZXJOGHI-DNTJNYDQSA-N	362.813	3.206	50	40	FGGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)OCO2	48333000	VEMKPZLPDONKEV-BOPFTXTBSA-N	362.385	3.042	50	40	FGGB	
CC(C)(O)C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(F)cc1	32578373	DGHAWCMNWHNZQQ-UFFVCSGVSA-N	364.804	3.279	50	40	FGGB	
COc1ccc(-c2nc(Nc3ccccc3)sc2CCC(=O)NN)cc1	2273074	FTAGVAHOEWBPHK-UHFFFAOYSA-N	368.462	3.485	50	40	FGGB	
Cc1cc(OCCCOc2ccccc2/C=N/NC(N)=O)ccc1Cl	4589750	FJZHCFLNEXCIKH-CIAFOILYSA-N	361.829	3.499	50	40	FGGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCC(=O)O)c2)cc1	409063889	FCSFUIZBRSNRTA-GDNBJRDFSA-N	366.373	3.094	50	40	FGGB	
CCOc1ccc(C(=O)N/N=C\c2ccc(OC)c(OCC)c2)cc1OC	409324485	SUJSSBVGKQQEKN-BKUYFWCQSA-N	372.421	3.265	50	40	FGGB	
O=C(c1ccccc1)[C@@H](Br)CCN1C(=O)c2ccccc2C1=O	94992616	ZGEFBYDGZCDSTA-HNNXBMFYSA-N	372.218	3.319	50	40	FGGB	
O=C(NNC(=O)c1ccc(COc2ccccc2)o1)c1cccc(F)c1	12769463	ZJZNREKVMYMGLO-UHFFFAOYSA-N	354.337	3.073	50	40	FGGB	
N#CC(C(=O)CSc1nncn1-c1ccccc1)=C1Nc2ccccc2N1	6506931	OTNORXQRUGWHRP-UHFFFAOYSA-N	374.429	3.201	50	40	FGGB	
C/C(=N/NC(=O)c1ccccc1I)c1ccco1	17146271	FPXMVLWXPKYBPF-DHDCSXOGSA-N	354.147	3.038	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C\c2ccsc2)c(=O)n(-c2ccccc2)n1C	96669594	DKFLWWWDEVXIJQ-GDNBJRDFSA-N	364.430	3.092	50	40	FGGB	
N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)C[C@H]1c1ccccc1	8972889	GATJTOVQOSPSME-INIZCTEOSA-N	363.442	3.397	50	40	FGGB	
COP(=O)(OC)C(C)(C)C/C(C)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	80346562	BCNBUGYVPSOJEX-WJDWOHSUSA-N	371.330	3.355	50	40	FGGB	
COc1ccccc1/C=N/NC(=O)CSc1cccc2cccnc12	706025	NVRXKVBFNBKSNX-CIAFOILYSA-N	351.431	3.486	50	40	FGGB	
CCCc1nc(C)c(C(=O)NNC(=O)c2sc(CCC)nc2C)s1	40158871	JKSYQSDMWOTQRJ-UHFFFAOYSA-N	366.512	3.196	50	40	FGGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(O)cc1	103906474	LQZBYUVNAYLGSO-ATJXCDBQSA-N	371.396	3.073	50	40	FGGB	
O=C(N/N=C1\[C@H]2[C@@H]3[C@H]4C[C@@H]2[C@H]2[C@@H]4C[C@@]3(Br)[C@@H]12)Nc1ccccc1	104202586	HCFSRGORWIYYSO-IGHFQPPLSA-N	372.266	3.459	50	40	FGGB	
N#CC(C#N)=C(C#N)c1ccc(-c2cnc(N3CCOCC3)s2)s1	101002736	XLVHETQCMIGHBR-UHFFFAOYSA-N	353.432	3.033	50	40	FGGB	
CC(C)CCN1C(=O)/C(=N\NC(=O)CNc2ccccc2)c2ccccc21	102977524	DPMOWOVQXQUFAE-GFMRDNFCSA-N	364.449	3.012	50	40	FGGB	
COC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)CC(=O)N1	9329472	LCXCGGBYUQAURD-VIFPVBQESA-N	371.245	3.238	50	40	FGGB	
CC(C)=NNC(=O)COc1ccc(Br)cc1Br	4543532	LNRMNPUNDNIJEX-UHFFFAOYSA-N	364.037	3.102	50	40	FGGB	
COc1ccc2ccc(OC)c([C@@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c2c1	9704012	IDFVFLWMURRAPQ-GOSISDBHSA-N	362.389	3.107	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(Cl)c1O	408540748	BJZKKGPSVKCQCF-XGICHPGQSA-N	372.764	3.298	50	40	FGGB	
C[C@H]1CN(c2ccc(NC(=O)/C(C#N)=C\c3ccco3)cc2)C[C@@H](C)O1	71846812	WANMIKQLEDDBJZ-QKGBOHHSSA-N	351.406	3.439	50	40	FGGB	
CN(C)c1oc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1Br	408856947	IMUDNZKVWDUPTD-FLIBITNWSA-N	366.259	3.464	50	40	FGGB	
Cc1ccccc1OCC(=O)NN=C1CCN(Cc2ccccc2)CC1	409352997	ZXFZHROIOCPYJQ-UHFFFAOYSA-N	351.450	3.142	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(Br)cc2)c1	5512189	YYYRDNWQCNRYAR-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc([N+](=O)[O-])c1O	207828393	XWRUMFVYUAAODZ-PWDRSIHYSA-N	367.361	3.093	50	40	FGGB	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N/N=C/c1cccc([N+](=O)[O-])c1	1458039	BJCCHIJLARAVRS-AINDZBIGSA-N	361.785	3.474	50	40	FGGB	
COc1ccc(/C=N/NC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1	59101774	MQGIQRZGXKBCLC-DJKKODMXSA-N	366.204	3.091	50	40	FGGB	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc([N+](=O)[O-])cc1	4457847	XNGLMGHXZCJIDW-HNNXBMFYSA-N	359.345	3.203	50	40	FGGB	
O=C(/C=C/c1cccs1)NNC(=O)COc1ccc2ccccc2c1	4690352	VYOLJHGCTRXVBC-MDZDMXLPSA-N	352.415	3.141	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)NC(N)=C(C#N)[C@@H]2c1ccccc1Br	4730565	JSOCQTAWWOSRTI-HNNXBMFYSA-N	372.266	3.473	50	40	FGGB	
Cc1cccc(-n2cccc2/C=N\NC(=O)Cc2ccccc2[N+](=O)[O-])c1	33767233	BWCVPUSQVJSGEJ-STZFKDTASA-N	362.389	3.387	50	40	FGGB	
CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(Br)o2)cc1	59514876	XKEGVZZELMZJCF-RQZCQDPDSA-N	364.199	3.155	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)C(=O)Nc1ccc(Cl)cc1C	59435528	YJEGSYBDLDAJNV-RGVLZGJSSA-N	359.813	3.136	50	40	FGGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)NNc1ccccc1)[C@H](Br)C2=O	4041152	PWPFFIVPKSAXRG-JLZZUVOBSA-N	365.271	3.289	50	40	FGGB	biogenic
CC/C=N/NC(=O)COc1ccc(Br)cc1Br	4543525	JDGIGBGKGNAKBW-LHHJGKSTSA-N	364.037	3.102	50	40	FGGB	
O=C(CCCC[C@H]1CCSS1)NCCCc1nnc2ccccn12	96116340	ILYGUBGRRDJUOY-AWEZNQCLSA-N	364.540	3.492	50	40	FGGB	biogenic
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cccnc1	3205833	HFSGSZFUQIQMMI-UFFVCSGVSA-N	369.764	3.457	50	40	FGGB	
CCOc1cc(C(=O)NN)ccc1OCc1cccc(Br)c1	226326762	DRKXSZZSSUPLQE-UHFFFAOYSA-N	365.227	3.030	50	40	FGGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2ccc(C)c(Br)c2)c1	6846061	QGXJNBZKQUDVGG-VXLYETTFSA-N	374.238	3.480	50	40	FGGB	
O=C(c1ccoc1)N1CCC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	43923902	JKCKRZZDNRNRCM-UHFFFAOYSA-N	369.465	3.204	50	40	FGGB	
O=C(CCc1ccc2c(c1)OCO2)N/N=C/c1c(O)ccc2ccccc12	59166333	PPJAMGBYWMGMSH-WSDLNYQXSA-N	362.385	3.357	50	40	FGGB	
C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)c1ccccc1N	4662840	HZFKTSLYRCDAPO-WSDLNYQXSA-N	358.829	3.365	50	40	FGGB	
CCNc1nnc(S[C@H](C)C(=O)C(C#N)=C2Nc3ccccc3N2)s1	7247378	HBVKWUXMNSLDQN-SECBINFHSA-N	372.479	3.292	50	40	FGGB	
O=C(N/N=C/c1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1	409005714	KFBJEZGRCVKMJO-HYARGMPZSA-N	369.852	3.343	50	40	FGGB	
Cc1c(C(=O)NN)c2ccccc2n1C(=O)c1ccc(OC(C)C)cc1	216957992	QTOPWXYLBCBLBX-UHFFFAOYSA-N	351.406	3.029	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1OC	867500	JXJGSQYUMMIDML-KPKJPENVSA-N	371.324	3.297	50	40	FGGB	
O=c1ccc(C(F)(F)F)cn1C[C@@H](Br)CBr	5670294	UMJSUEUEXALMNJ-ZETCQYMHSA-N	362.971	3.026	50	40	FGGB	
CCN1CCN(C(=O)N[C@@H](c2ccc(C)c(F)c2)C(Cl)Cl)CC1	59866527	CVWIZYDBBSYGBZ-AWEZNQCLSA-N	362.276	3.326	50	40	FGGB	
Cc1c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)[nH]c2c([N+](=O)[O-])cccc12	1920095	VBIFGNDOTRXGCQ-GIJQJNRQSA-N	367.321	3.057	50	40	FGGB	
COc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)ccc1O	59473080	KRLWLZCBIZEXRX-DJKKODMXSA-N	364.854	3.438	50	40	FGGB	
CC(=O)NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3	2229721	GFOQTQOCSKDQTI-UHFFFAOYSA-N	360.483	3.305	50	40	FGGB	
O=C(N/N=C/c1cccc2ccccc12)[C@H]1CC(=O)N(c2ccccc2)C1	408718012	BPSVOLDZDJCEKR-TTXZLZEXSA-N	357.413	3.343	50	40	FGGB	
CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)c2c[nH]c3ccccc23)cc1	14235804	QPBYARDSDALEML-UHFFFAOYSA-N	371.462	3.089	50	40	FGGB	
CN(C)c1ccc(-n2cccc2/C=N\NC(=O)Cc2ccc(F)cc2)cc1	409243598	TXJMXLUQELKYKB-HAHDFKILSA-N	364.424	3.375	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc3c4c(cccc24)CC3)cc1	408872784	ITMIXNDSZAWYHW-YDZHTSKRSA-N	360.413	3.476	50	40	FGGB	
COc1ccc(OC)c(NC(=O)C/C(C)=N/NC(=O)C2CCCCC2)c1	5369976	JZBPHTCFRCXLAE-FYJGNVAPSA-N	361.442	3.105	50	40	FGGB	
O=C(CSCc1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2	6049122	DLRCHEIKIHAINC-UHFFFAOYSA-N	358.507	3.284	50	40	FGGB	
CCCc1noc2nc(C3CC3)cc(C(=O)NNC(=O)C3CCCC3)c12	46579179	LNYILWLFIWHFQM-UHFFFAOYSA-N	356.426	3.004	50	40	FGGB	
O=C(NN=C1CSc2sc(=O)sc2SC1)c1ccccc1	4476097	ZVZDQQZILVSVPX-UHFFFAOYSA-N	354.503	3.154	50	40	FGGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1)C(N)=O	408882749	NSZPYSIXBDXVMT-NTUHNPAUSA-N	357.753	3.219	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(N)=O)c(Cc2ccccc2Br)c1	408884032	SHSNDHRHFCQFEN-OVCLIPMQSA-N	371.234	3.441	50	40	FGGB	
COc1ccc(/C=N\NC(=O)Cc2ccc(C)cc2)cc1Br	409357682	CEKVMWAPMTXAHV-ODLFYWEKSA-N	361.239	3.459	50	40	FGGB	
CCOc1c(/C=N/NC(=O)COc2c(C)cccc2C)cccc1OC	40912025	WMNXXYSCJFSORK-CIAFOILYSA-N	356.422	3.240	50	40	FGGB	
CC[C@@H](Cl)C1=NC(C)(C)[C@@H](C(C)=O)N1S(=O)(=O)c1ccc(C)cc1	24718462	KXGLWSOHMITUQH-HUUCEWRRSA-N	370.902	3.151	50	40	FGGB	biogenic
CC(C)c1ccc([C@@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C)C[C@H]32)cc1	4453378	RZZPFYJDTQFYDP-UYAOXDASSA-N	357.461	3.165	50	40	FGGB	
C[C@]12CC(=O)[C@@]3(SC#N)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O	4887109	NYLSSGDLLZSDSA-GJCUDGATSA-N	359.491	3.395	50	40	FGGB	
Cc1nc2sccn2c1C(=O)N/N=C/c1cccc(Br)c1	59459787	BBGUEABPZFZZDN-LZYBPNLTSA-N	363.240	3.231	50	40	FGGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CC(=O)NC(C)C)c2C)c(C)c1	58913881	DLWBFPCMULUXJD-UUYOSTAYSA-N	368.481	3.076	50	40	FGGB	
COc1cccc(/C(C)=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)c1	5381449	OZPIMEYVBSAKAV-JJIBRWJFSA-N	374.440	3.472	50	40	FGGB	
CC(C)c1ccc2c(c1)/C(=N/NC(=O)[C@@H]1COc3ccccc3O1)C(O)=N2	6684342	CULIKWQTEYVYEK-KRWDZBQOSA-N	365.389	3.072	50	40	FGGB	
N#C/C(=C/c1ccc([N+](=O)[O-])o1)C(=O)Nc1ccc(Br)cc1	408745641	UPOYAWAACFLLDC-CLFYSBASSA-N	362.139	3.496	50	40	FGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2cc([N+](=O)[O-])ccc2o1	408967410	VRCABIPSVJZQBI-RQZCQDPDSA-N	354.278	3.013	50	40	FGGB	
COc1ccc(CCNC(=O)/C(C#N)=C\C=C\c2ccco2)cc1OC	48310351	SNZAWKSCSGQHIS-UOZPGHJTSA-N	352.390	3.119	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	859696	WSCMDUTZOFCORF-CIAFOILYSA-N	350.374	3.083	50	40	FGGB	
C/C(CC(=O)Nc1ccc(N(C)C)cc1)=N\NC(=O)CCc1ccccc1	5249865	AVBXQWBSZFTNOJ-XQNSMLJCSA-N	366.465	3.206	50	40	FGGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)CC(=O)N2)c1	9110614	HAZOLIJBAYOCMM-AWEZNQCLSA-N	367.430	3.299	50	40	FGGB	
CCOc1ccc(Cl)cc1/C=N/NC(=O)Cc1ccccc1[N+](=O)[O-]	6892547	JPNRMVDJPIUTET-YBFXNURJSA-N	361.785	3.340	50	40	FGGB	
COc1cc(Br)c(O)c(/C=N/NC(=O)c2ccccc2C)c1	9201549	KQMLBAWUEBYRKY-GIJQJNRQSA-N	363.211	3.236	50	40	FGGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H](C)C(C)C)c(C)n1CC(C)C	5180739	PXQZJKFGINZSFH-ARFNDINWSA-N	373.497	3.372	50	40	FGGB	
CCOC(=O)C1=C(C)N=C2SC(C#N)=C(N)N2[C@H]1c1ccc(Cl)cc1	4502846	NQQPHRCLGJCPQJ-AWEZNQCLSA-N	374.853	3.288	50	40	FGGB	
Cc1sc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1Br	19732851	DIJUBNAMJCQUCK-UHFFFAOYSA-N	353.270	3.037	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)cc1	408793451	OWEWDBSEIUAPQZ-XNTDXEJSSA-N	366.373	3.036	50	40	FGGB	
COc1cc2c(cc1/C=N\NC(=O)c1ccc(Cl)c(Cl)c1)OCO2	409103635	ASDVURKAWPSYFK-GXHLCREISA-N	367.188	3.495	50	40	FGGB	
COc1ccc(/C=N/NC(=O)CSCCc2ccccc2)c(OC)c1	5513242	GGBSCZJRYNTEFZ-DEDYPNTBSA-N	358.463	3.130	50	40	FGGB	
COc1ccccc1C(=O)NNc1nc(-c2ccc(C#N)cc2)cs1	975674	OOVGSZGKUAQNFZ-UHFFFAOYSA-N	350.403	3.447	50	40	FGGB	
CC(C)(C)[C@@]1(OCBr)C(=O)N=CN=CN1Cc1ccccc1	3237978	OZCIRXPIJFREOR-INIZCTEOSA-N	366.259	3.197	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CN2CCCCC2)c(C)n1-c1ccccc1F	58928232	BCGLDTDFEGSFLH-LPYMAVHISA-N	356.445	3.169	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc([N+](=O)[O-])c1O	52410933	OHPNJAOATINQOI-RGVLZGJSSA-N	365.345	3.226	50	40	FGGB	
COC(=O)COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	408790808	ZBMXXJIRMBBKOM-NTEUORMPSA-N	370.792	3.437	50	40	FGGB	
COc1ccc(CC(=O)N/N=C(\C)CC(=O)Nc2cc(C)cc(C)c2)cc1	5539103	XZEFGKYODWTKDF-XQNSMLJCSA-N	367.449	3.375	50	40	FGGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c(C#N)c1C	6608888	JUKVYAYQSWNDPB-FOKLQQMPSA-N	361.405	3.335	50	40	FGGB	
O=C1CC([PH](c2ccccc2)(c2ccccc2)c2ccccc2)=C(O)O1	104162641	ZWCVLXVRHWXPHZ-UHFFFAOYSA-N	362.365	3.387	50	40	FGGB	
N#C/C(=C\c1cccn1-c1cccc(C(=O)O)c1)C(=O)NCc1ccccc1	4608013	CVWNXSJDILUZNI-QGOAFFKASA-N	371.396	3.399	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl)c1ccccc1O	409216620	KASVQHWKWVLPQG-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
COc1ccccc1OCC(=O)N/N=C\c1ccc(Br)s1	34967353	MFWPBKVEOSBGNJ-PXNMLYILSA-N	369.240	3.048	50	40	FGGB	
COc1cc2c(cc1/C=C1\C(C)=C(C#N)c3nc(N)c(C#N)c(C)c31)OCO2	19857476	LTTDGGZJXXESBY-YIXHJXPBSA-N	372.384	3.432	50	40	FGGB	
Cc1ccc2nc(NNC(=O)c3cc4ccccc4oc3=O)sc2c1	4121384	UPCUUYLXKQPHPU-UHFFFAOYSA-N	351.387	3.468	50	40	FGGB	
CCC(CC)=NNC(=O)C(=O)Nc1ccc(OCc2ccccc2)cc1	59444744	CMFBQSXTJPIRTG-UHFFFAOYSA-N	353.422	3.496	50	40	FGGB	
COc1cc(N2CCCCC2)ccc1/C=N/NC(=O)Cc1ccccc1	409255872	ZYOPXQUDKXXNSI-CJLVFECKSA-N	351.450	3.378	50	40	FGGB	
C/C(CC(=O)Nc1ccc(C)cc1)=N\NC(=O)c1cc(Cl)ccc1O	4590746	WVPZIZBLMOWSJN-CIAFOILYSA-N	359.813	3.489	50	40	FGGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CC2(C)OCCO2)c1C	40486337	SEMTYAJOXRDMFJ-FYJGNVAPSA-N	355.438	3.006	50	40	FGGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccccc1O	1453915	OQHHYUCCQALTLS-YRNVUSSQSA-N	359.179	3.406	50	40	FGGB	
CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2ncccc2c1	2193350	BMPYLQIAODZZIJ-QQZPLFJDSA-N	370.453	3.234	50	40	FGGB	
O=C(CNC(=O)c1c(F)cccc1Cl)N/N=C/c1ccccc1Cl	4079643	FUURQRNOBRCURO-ODCIPOBUSA-N	368.195	3.013	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc2c(c1)OCO2	718536	AZHVDZMBWBXYHN-CQSZACIVSA-N	364.386	3.085	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1	12599751	LTCRSCOHWDITKS-QWYPGKHASA-N	370.449	3.086	50	40	FGGB	
O=C(NCc1cccnc1)C(=O)NN=C1CCCCCCCCCCC1	59515709	IROZLDSQSHJTLM-UHFFFAOYSA-N	358.486	3.475	50	40	FGGB	
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1ccc(Cl)nc1	6929370	IRWIKOOGSFJUQQ-UHFFFAOYSA-N	372.837	3.242	50	40	FGGB	
CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Sc1ncccn1	409105258	KGPCIQBIFUVHRE-XYOKQWHBSA-N	356.363	3.006	50	40	FGGB	
CCOc1ccccc1/C=N/NC(=O)N/N=C/c1ccccc1OCC	1040438	GZJIVOGLWZKTRC-KVVJQUGZSA-N	354.410	3.151	50	40	FGGB	
Cc1ccc(CSCC(=O)N/N=C/c2cccc3c2OCCO3)cc1	879429	GOCRBGWRUACAIK-RGVLZGJSSA-N	356.447	3.150	50	40	FGGB	
CN(C)c1oc(/C=N/NC(=O)c2ccccc2F)cc1Br	59105163	KIBVFEXIQHGNOF-CAOOACKPSA-N	354.179	3.011	50	40	FGGB	
COc1ccccc1/C=C/C(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2	3431115	AZIZILPTAWIKCT-FROQITRMSA-N	370.474	3.356	50	40	FGGB	
Cc1c(NC(=O)/C(C#N)=C\c2cccs2)c(=O)n(-c2ccccc2)n1C	4833653	JJULCDXAMBIBHJ-KAMYIIQDSA-N	364.430	3.092	50	40	FGGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(Br)o1	83325804	RHRJKMNROQCIPO-VGSSETLESA-N	351.200	3.006	50	40	FGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccnc2)sc2c1CCCC2	2708528	LBNIUQGAYIFNOY-UKTHLTGXSA-N	367.430	3.354	50	40	FGGB	
CCCCC(=O)N/N=C(\C)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	12468600	GSCLLJJYQQZBDQ-BNKSZWPGSA-N	369.465	3.397	50	40	FGGB	
O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cccc([N+](=O)[O-])c1	3207074	YESBCDUENQCVNK-UHFFFAOYSA-N	369.406	3.235	50	40	FGGB	
Cc1cccc(-n2ncc3c(NNC(=O)CCc4ccccc4)ncnc32)c1	4355138	YAGUYJLEDGBGQU-UHFFFAOYSA-N	372.432	3.200	50	40	FGGB	
CC(C)c1ccc(N(CC(=O)NN=C2CCCCC2)S(C)(=O)=O)cc1	408769127	OMRHOPUCBSFKGK-UHFFFAOYSA-N	365.499	3.012	50	40	FGGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccc([N+](=O)[O-])c1O	409212327	OXLAXZRRSDYISB-CAOOACKPSA-N	365.798	3.196	50	40	FGGB	
Cc1ccccc1-n1cccc1/C=N\NC(=O)Cc1ccccc1[N+](=O)[O-]	33601044	BUOXXYDIFYQYIW-STZFKDTASA-N	362.389	3.387	50	40	FGGB	
COC(=O)c1nc(-c2ccc(C)cc2)oc1NNC(=O)c1ccc(F)cc1	32624762	XLEXVSCSCSHZMJ-UHFFFAOYSA-N	369.352	3.333	50	40	FGGB	
COc1cc(F)c(C(=O)[C@H](Br)CBr)cc1F	309514789	TWOWSIBNTIYYFY-ZCFIWIBFSA-N	357.976	3.315	50	40	FGGB	
Cc1cccc(OCC(=O)N/N=C\C=C\c2cccc([N+](=O)[O-])c2)c1C	13945576	HBFMNMXUFMGIOT-NZCXTDTASA-N	353.378	3.406	50	40	FGGB	
COc1cc(/C=N/NC(N)=O)ccc1OCCCOc1ccc(C)cc1C	4616820	CPAVUAXRKBLYKZ-LPYMAVHISA-N	371.437	3.162	50	40	FGGB	
N#Cc1ccc(C(=O)N/N=C/c2cc(Cl)c(O)c(Cl)c2)c(F)c1	408967308	PWCYOQOFUXOIPY-IFRROFPPSA-N	352.152	3.474	50	40	FGGB	
CC[C@@H]1C[C@@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CC(=O)N1	97373150	AUXJHFSFUBAGHK-QZTJIDSGSA-N	351.450	3.029	50	40	FGGB	
CC1=NN(c2ccccc2)[C@H]2OC(N)=C(C#N)[C@@H](c3ccc4c(c3)OCO4)[C@@H]12	5416526	LFEYLUPXCSUZMC-SBHAEUEKSA-N	374.400	3.061	50	40	FGGB	
CCN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](NC(=O)CCl)CC1	242522462	ITSMRJVDAHYVCB-WKILWMFISA-N	352.862	3.311	50	40	FGGB	
COc1ccc(C(=O)NNc2nc3c(OC)cccc3s2)c(OC)c1	4121312	CMPOIEFTULPIEF-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2cccc(Cl)c2)[C@@H]2CSCC=C12	1051807	CLQTZIDOTRRAKP-CVEARBPZSA-N	352.850	3.497	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1Br	6949302	BBCNHKXKOSYYQM-LICLKQGHSA-N	366.284	3.269	50	40	FGGB	
O=C1c2ccccc2C(=O)C1(CI)c1ccccc1	2275372	RIBNIKBKQPNWJZ-UHFFFAOYSA-N	362.166	3.439	50	40	FGGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2O)C(C#N)=C(N)O3)cc1	5940509	XGJFDDHKNKSPIM-MRXNPFEDSA-N	360.373	3.009	50	40	FGGB	
CC(C)(C)C(=O)NNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1	408996901	KJLVVJVVZPVNRV-BUHFOSPRSA-N	365.433	3.146	50	40	FGGB	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)C(=O)Nc1ccccc1F	408827006	UKUOIVBHJZBMSL-GHXNOFRVSA-N	371.324	3.297	50	40	FGGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1O[C@@H](C)C(=O)O	4113188	MTKWGDDERGJTLU-CJAAZZPWSA-N	363.373	3.488	50	40	FGGB	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(C(F)(F)F)cc1	710703	XEKVOYGOQYIUNH-CQSZACIVSA-N	352.312	3.350	50	40	FGGB	
COc1cccc(OCc2ccc(C(=O)N/N=C/c3ccncc3)cc2)c1	2750434	QBSZSYMETHGTFR-OEAKJJBVSA-N	361.401	3.433	50	40	FGGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc([N+](=O)[O-])ccc3O)cc2c1	409187267	OEBPCVFOPRBAHT-GRSHGNNSSA-N	369.333	3.209	50	40	FGGB	
O=C(CCOP(=O)(NCCCl)NCCCl)c1ccccc1	1589533	WPCURHQONDQDRY-UHFFFAOYSA-N	353.186	3.041	50	40	FGGB	
N#CC1=C(SCC(=O)N2CCCCCC2)NC(=O)C[C@@H]1c1ccccc1	6496139	PLAJAJKJXFLXMG-MRXNPFEDSA-N	369.490	3.161	50	40	FGGB	
Cc1ccc(OCC(=O)N/N=C/c2c(F)cccc2Cl)c([N+](=O)[O-])c1	9355296	JTLHNPRMMFKMDC-UFWORHAWSA-N	365.748	3.225	50	40	FGGB	
Cc1ccccc1/C=C(\C#N)c1nnc(N2CCOCC2)n1-c1ccccc1	7208080	FLBXVYHXIMPJGK-XDJHFCHBSA-N	371.444	3.477	50	40	FGGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)C1=NN(c2ccccc2)[C@H](N)[C@@H]1C#N	408784353	QOYRXBHMJDOENP-DEYISHSISA-N	363.808	3.253	50	40	FGGB	
O=C(NNc1nc2c(F)cc(F)cc2s1)c1coc2ccccc2c1=O	4121495	BYRRWQAGGUIPAF-UHFFFAOYSA-N	373.340	3.438	50	40	FGGB	
CC(=O)Oc1cccc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c1	408752850	CSXDLJNGTNYKDC-SSDVNMTOSA-N	364.323	3.324	50	40	FGGB	
N#C/C(=C\c1ccc(OCC(N)=O)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	409256755	PPNAERBAXRDAMS-NTUHNPAUSA-N	357.753	3.176	50	40	FGGB	
Cc1nnc(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)s1	2748929	BFESCXWURJVDBR-UBKPWBPPSA-N	360.386	3.108	50	40	FGGB	
C[C@H](Oc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1)C(=O)O	59302151	TXLUEXQKCSQSBP-KOUDTOEKSA-N	362.385	3.456	50	40	FGGB	
Cc1ccc(C)c(NC(=O)CCC(=O)N/N=C/c2ccc(N(C)C)cc2)c1	4116921	PFVTUDQLSYGVDT-HYARGMPZSA-N	366.465	3.238	50	40	FGGB	
COc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1O	4743321	LVGFMPNSSMHOEE-UFFVCSGVSA-N	352.312	3.112	50	40	FGGB	
O=C(CC12CC3CC(CC(C3)C1)C2)NNS(=O)(=O)/C=C/c1ccccc1	7519273	VUPBHMXMFUPMCE-VOTSOKGWSA-N	374.506	3.214	50	40	FGGB	
COc1cc(OC)c(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)cc1Cl	409378722	QURLMEYIZAIOOH-AUWJEWJLSA-N	359.813	3.453	50	40	FGGB	
CCOC(=O)c1sc(CC(=O)/C(C#N)=C/c2cccnc2)c(C#N)c1C	408547210	VIJJDFGNVIPRHM-VGOFMYFVSA-N	365.414	3.219	50	40	FGGB	
CCN1C(=O)/C(=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc21	409196157	XIDXXVRHPMERDO-HMMYKYKNSA-N	362.216	3.494	50	40	FGGB	
O=C(N/N=C\c1cc(Br)c(N2CCCC2)o1)c1cccs1	408810499	KUWVVQURXGHAFN-SXGWCWSVSA-N	368.256	3.468	50	40	FGGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(O)c(Br)c1	409381568	GVZPXLBUIHOMCO-QPEQYQDCSA-N	360.211	3.250	50	40	FGGB	
O=C(CC(=O)N/N=C\c1cccc2ccccc12)NCCc1ccccc1	34872453	AXPIMJNMNHBLPO-JLPGSUDCSA-N	359.429	3.039	50	40	FGGB	
CNc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	32811881	ZTWHGUQVRNHENI-OQLLNIDSSA-N	357.391	3.283	50	40	FGGB	
CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccco1	1340011	LFJQRMXHYORPOU-UHFFFAOYSA-N	369.446	3.252	50	40	FGGB	
O=[P@@](NCCCO)(OCc1ccccc1)N(CCCl)CCCl	1698557	NQZNJXCDRIFPDE-QFIPXVFZSA-N	369.229	3.063	50	40	FGGB	
CCC[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(C)cc1C	8733171	GPFFBZFKWACFET-CYBMUJFWSA-N	355.276	3.312	50	40	FGGB	
CCCCN1C(=O)/C(=N\NC(=O)CNc2cccc(C)c2)c2ccccc21	5694927	YIFSBACSCBRKSE-GFMRDNFCSA-N	364.449	3.074	50	40	FGGB	
OCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	80440335	JWQJXBUCHIQJPP-SCSAIBSYSA-N	368.030	3.395	50	40	FGGB	
COc1ccc(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccc(C)cc2)cc1	8685024	UTBAJMATHYZKEM-IAGOWNOFSA-N	355.463	3.125	50	40	FGGB	
O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cc2cc(Cl)ccc2o1	409014220	WMSZAHVFPGZRLN-RGVLZGJSSA-N	373.796	3.280	50	40	FGGB	
Cc1ccccc1OCC(=O)NNC1=CC(=O)C[C@H](c2ccccc2)C1	408751534	UYUGSVTYRZHMCX-QGZVFWFLSA-N	350.418	3.025	50	40	FGGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)c(C(F)(F)F)c1	1775996562	ZMFCCBAAQQJUNW-UFFVCSGVSA-N	351.328	3.241	50	40	FGGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC	3614282	MTXJSILOMHNCBL-LVTPQQFMSA-N	358.438	3.314	50	40	FGGB	
Cc1cccc(NC(=O)CCNC(=O)[C@H](Br)C(C)(C)C)c1	8733109	XJNHFKPFDABNSD-AWEZNQCLSA-N	355.276	3.249	50	40	FGGB	
O=C(Cc1ccccc1[N+](=O)[O-])N/N=C\c1ccc(N2CCCC2)c(F)c1	107808428	VJXHUDDQHFOTPN-BKUYFWCQSA-N	370.384	3.027	50	40	FGGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)n(C)c(=O)n3C)c1	4739707	ZMTPKZBRYGRQHP-MHWRWJLKSA-N	360.417	3.040	50	40	FGGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(O)c(Br)c2)c1	409366714	XQPUAULHZKOPSM-GRSHGNNSSA-N	361.239	3.464	50	40	FGGB	
C/C(=N/NC(=O)c1ccoc1C)c1ccc(NC(=O)C(F)(F)F)cc1	6254683	CHTNFJSWUAUIGC-NKVSQWTQSA-N	353.300	3.243	50	40	FGGB	
Nc1nc(-c2ccccc2)c(CC(=O)N/N=C/c2ccc(F)cc2)s1	6831742	FAVYOPUBCFARQU-SRZZPIQSSA-N	354.410	3.224	50	40	FGGB	
COc1cccc([C@H]2C(C#N)=C(N)OC(c3ccccc3)=C2C#N)c1OC	2206279	UDIAOPAIOMCUSC-GOSISDBHSA-N	359.385	3.446	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OC(C)=O	59335386	DNPMLTAIXKGTFT-YBEGLDIGSA-N	350.374	3.475	50	40	FGGB	
CCN1C(=O)/C(=N\NC(=O)c2cc(C)nc3ccccc23)c2ccccc21	6007287	PYCYHVXOBZWYLV-NMWGTECJSA-N	358.401	3.044	50	40	FGGB	
CN(NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)c1ccccc1	7785227	HMVVMECWCWGLFH-NRFANRHFSA-N	373.456	3.195	50	40	FGGB	
O=C(CNc1ccccc1)N/N=C/c1ccc(-c2cccc(C(=O)O)c2)o1	409389292	XSCMNEJTUMOGOK-WSDLNYQXSA-N	363.373	3.207	50	40	FGGB	
C#CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)OCC)cc2)c1	408937189	NALTUDLCKUNCSN-AQTBWJFISA-N	374.396	3.421	50	40	FGGB	
COc1ccccc1NC(=O)/C(C#N)=C1\C(=O)Nc2ccc(Cl)cc21	39556015	IWZVRLBDYBUKJX-VBKFSLOCSA-N	353.765	3.217	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccnn1-c1ccccc1	253408921	YZEYWFHNOPEQCS-GOSISDBHSA-N	360.417	3.323	50	40	FGGB	
N#CCc1ccc(/C(C#N)=C2/OC(=N)[C@H](c3ccc(CC#N)cc3)C2=O)cc1	5810638	JONMXLHBUZOGNL-IROYEKLYSA-N	366.380	3.414	50	40	FGGB	
COc1ccc2nc(NNC(=O)c3c(OC)cccc3OC)sc2c1	4121402	ROQUTUAXWJBIDJ-UHFFFAOYSA-N	359.407	3.079	50	40	FGGB	
COc1cc2c(cc1OC)C1=C(C#N)CN(C3CCCCC3)CN1CC2	19999783	CDFXHDABQJDUAK-UHFFFAOYSA-N	353.466	3.402	50	40	FGGB	
N#CC(C(=O)COC(=O)CSc1ccccc1)=C1Nc2ccccc2N1	7016484	KOMIBMNKNIPETN-UHFFFAOYSA-N	365.414	3.164	50	40	FGGB	
COc1cc(OC)cc(C(=O)N/N=C\c2c(O)ccc3ccccc23)c1	58885216	KGZGULXCACNFGM-MTJSOVHGSA-N	350.374	3.327	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)cc1	2292143	QTQCTFUGTQPYRZ-PXLXIMEGSA-N	369.465	3.243	50	40	FGGB	
Cc1ccc(/C=N/NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)s1	2372432	BPZLCANOSFKQBJ-IXJMWADBSA-N	355.463	3.177	50	40	FGGB	
COc1ccccc1CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	21284297	PDBFTZQQOMLOEW-UHFFFAOYSA-N	369.299	3.308	50	40	FGGB	
Cc1ccc(O[C@H](C)C(=O)N/N=C\c2ccncc2)c(Br)c1	32694260	NQZSJCAJQMVUJS-FGHSJCFPSA-N	362.227	3.070	50	40	FGGB	
Cc1ccc(C(=O)N/N=C\c2cc3c(cc2Br)OCO3)cc1	33415635	QEOSXJUEPINSPG-LSCVHKIXSA-N	361.195	3.250	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cnn(-c2ccccc2)c1	253399856	KBNALNXSPDKACG-SFHVURJKSA-N	360.417	3.323	50	40	FGGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc1	5585675	VUQNLBSVUAVYDR-MNDPQUGUSA-N	360.461	3.008	50	40	FGGB	
CCCN1C(=O)/C(=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	13882029	SWOLNVQTMPXTES-RELWKKBWSA-N	355.825	3.160	50	40	FGGB	
O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc(Cl)cc(Cl)c1O	4705054	HUGZBZRAIWXFNU-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
CNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	7209960	UMHJQYYJVLHJHN-RVDMUPIBSA-N	373.372	3.100	50	40	FGGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc3c(cc2Br)OCO3)n1	408979166	PJZZNRLTESBYMG-UUILKARUSA-N	374.194	3.239	50	40	FGGB	
C#CCn1c(C)c(/C=N/NC(=O)c2ccc3c(c2)OCO3)c2ccccc21	409365971	YGDZWLUESZYABE-WSDLNYQXSA-N	359.385	3.076	50	40	FGGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1cccc([N+](=O)[O-])c1	1085538	VCBMJLGBZPAOAO-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
COc1ccc2cc([C@H]3C(C#N)=C(N)Oc4[nH]nc(C)c43)c(Cl)nc2c1	9704022	MMUGJPKUOAOEJA-HNNXBMFYSA-N	367.796	3.147	50	40	FGGB	
COc1ccc(CSCC(=O)N/N=C/c2ccc(OC(C)=O)cc2)cc1	5205551	JIRXEULUMGOAEF-RGVLZGJSSA-N	372.446	3.004	50	40	FGGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(C(=O)N/N=C/[C@H]2CC=CCC2)o1	4646867	IOVQKGPQDKIODC-RMPARNTDSA-N	368.437	3.423	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc3c(c2)OCO3)o1	409362436	VHYZSDVJPIQTIT-SSDVNMTOSA-N	359.341	3.311	50	40	FGGB	
COc1cc(C)c(/C=N/NC(=O)CNc2ccc(C)c(C)c2)cc1OC	408549111	PGTIHMLGXRTTCM-SSDVNMTOSA-N	355.438	3.191	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC[C@@H](CN(C(=O)CCl)C2CC2)C1	79392771	DUXOSXWIHILBGP-MRXNPFEDSA-N	364.873	3.265	50	40	FGGB	
CCO/C=N\C1=C(C#N)[C@H](c2ccccc2)c2c(nn(C(C)=O)c2C)O1	20315544	XHMBKUNGXZYRMD-QREGZJMFSA-N	350.378	3.176	50	40	FGGB	
COc1ccc(O)c(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)c1	880363	RTLJHJWVXXTMOS-CIAFOILYSA-N	356.422	3.227	50	40	FGGB	
CCC[C@H](C)C1(CC)C(=O)N(CCCl)C(=O)N(CCCl)C1=O	2028749	ZUSNQGQLFFFXNU-NSHDSACASA-N	351.274	3.087	50	40	FGGB	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(C(F)(F)F)c1	4859699	PEUAICGNYHAIMS-UHFFFAOYSA-N	368.271	3.080	50	40	FGGB	
Cc1cc(SC#N)ccc1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2	7420557	AXFAVHMQXDFGKW-UHFFFAOYSA-N	373.459	3.254	50	40	FGGB	
O=C(Cn1c(C(F)(F)F)nc2ccccc21)N/N=C/c1cccs1	8046122	KLOYBOSJTAXLAM-UFWORHAWSA-N	352.341	3.267	50	40	FGGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OC(C)C)cc2)cc1OC	408845676	YROFHUXCXMBKTJ-FYJGNVAPSA-N	356.422	3.184	50	40	FGGB	
C=CCc1cc(/C=N\NC(=O)[C@@H](C)Oc2ccccc2)cc(OC)c1O	32112096	RKCINTCAFMKTNK-SFDYMUJDSA-N	354.406	3.047	50	40	FGGB	
CC(=O)Oc1ccc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)cc1	831155	HXWMJQBNQIHSEN-MQMKENTISA-N	356.447	3.384	50	40	FGGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccccn1	100923087	CARPLYBILACFKF-FOKLQQMPSA-N	364.327	3.235	50	40	FGGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)[C@@H]2CCCN(C(=O)C(F)(F)F)C2)C1	102411740	MACFFDSUHXLTPQ-MXQOFYBNSA-N	371.403	3.192	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2cccc(Cl)c2)[C@@H]2CSCC=C12	21964973	CLQTZIDOTRRAKP-HZPDHXFCSA-N	352.850	3.497	50	40	FGGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc([N+](C)(C)C)cc1	2275313	YWUJQRAAFMZDKZ-SFHVURJKSA-N	352.458	3.334	50	40	FGGB	
CC(C)(O)C1=C[C@@]23C[C@](C)(C(=O)O)[C@@H]4CCCC[C@@]4(C)[C@H]2C[C@@H]1OO3	103942722	BMLNZARZCFTAMQ-CMJCVQFHSA-N	350.455	3.464	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1ccc(C(F)(F)F)cc1	2646010	LJMXQRCJEKYNIH-UHFFFAOYSA-N	372.730	3.442	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)N2CCCC2)o1	409367705	DVQOZOSSKVQIRO-JLHYYAGUSA-N	367.361	3.393	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)c2ccc(C3SCCS3)cc2)c(C)o1	6436474	HBKNDRWXTFZDFM-UHFFFAOYSA-N	362.476	3.450	50	40	FGGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCC(C)C	409148482	PXXYDPUZHOKFGN-SFHVURJKSA-N	368.437	3.370	50	40	FGGB	
CCc1ccc(N2C[C@@H](C(=O)N/N=C\c3ccc(C)s3)CC2=O)cc1	96504891	BMWNWMCQZUZULQ-PFHZTYADSA-N	355.463	3.122	50	40	FGGB	
CC1(C)CC(N2CCCC2)=C/C(=N/NC(=O)c2ccc([N+](=O)[O-])cc2)C1	49552126	BCFUARMZPHLJGJ-HKWRFOASSA-N	356.426	3.480	50	40	FGGB	
CC(=O)N1C/C(=N\NC(=O)COc2ccc3ccccc3c2)c2ccccc21	13509900	LCTBSLXZHCTGEX-BSYVCWPDSA-N	373.412	3.106	50	40	FGGB	
COc1cccc(/C=N/NC(=O)CNc2cccc(Br)c2)c1	1054721	IAWMRAJMQCDVBS-VXLYETTFSA-N	362.227	3.020	50	40	FGGB	
CC(C)c1ccc([C@H]2C(C#N)=C(N)C(C#N)(C#N)C3=CCN(C)C[C@H]32)cc1	4453377	RZZPFYJDTQFYDP-QUCCMNQESA-N	357.461	3.165	50	40	FGGB	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	59447410	WFEBEBXOQXXCAT-GIJQJNRQSA-N	363.757	3.029	50	40	FGGB	
N/C(=N\OC(=O)CCCl)c1ccccc1OCc1cnc(Cl)s1	63111026	LPZQTPGZUDLACU-UHFFFAOYSA-N	374.249	3.168	50	40	FGGB	
C#CCOc1ccc(Cl)cc1[C@H]1C(C#N)=C(N)Oc2cc(O)ccc21	409137196	UNGHQJJNCXIPKS-SFHVURJKSA-N	352.777	3.276	50	40	FGGB	
CCOC(=O)N[C@H](CC(=O)N/N=C/c1cccc(OC)c1)c1ccccc1	408982879	ZPAUQSIKDXUBFP-ALDSOSFCSA-N	369.421	3.023	50	40	FGGB	
COc1ccc2c(C)c(Br)c(=O)oc2c1NC(=O)CCl	3849486	KZIGPSLTVOARTM-UHFFFAOYSA-N	360.591	3.050	50	40	FGGB	biogenic
O=C(CC(=O)N/N=C\c1ccc(Cl)c(Cl)c1)NCc1ccccc1	33928084	YXJHGWVUFPJLDH-NHDPSOOVSA-N	364.232	3.150	50	40	FGGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(C(=O)O)cc2)cc(C)c1Cl	3038673	MNNSUPYUEVOHGG-AWQFTUOYSA-N	360.797	3.184	50	40	FGGB	
CCOC(=O)c1sc(NC(=O)CCl)c(C(=O)OC(C)(C)C)c1C	32628047	NPPZNSLYLFYOAE-UHFFFAOYSA-N	361.847	3.366	50	40	FGGB	in-vitro
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccc(F)cc1	1023581	WOTOELVHGFUPCQ-VIFPVBQESA-N	371.195	3.361	50	40	FGGB	
COc1ccnc(NNC(=O)[C@H](Sc2ccccc2)c2ccccc2)n1	46364887	TUCWOWJSZTXXGL-QGZVFWFLSA-N	366.446	3.462	50	40	FGGB	
CCc1cc2cc(C)ccc2nc1SCC(=O)NNC(=O)c1ccco1	15935954	RUILELVMARFOFL-UHFFFAOYSA-N	369.446	3.252	50	40	FGGB	
O=C(NNc1ncnc2ccccc12)C(O)(c1ccccc1)c1ccccc1	3423863	IIOUQHSNCVSIGC-UHFFFAOYSA-N	370.412	3.009	50	40	FGGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cl	4574881	WNOHUCOAEMVQTL-KRWDZBQOSA-N	354.793	3.167	50	40	FGGB	
C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)c1cccc(O)c1	4697850	UIWAENNIZOZFOQ-CIAFOILYSA-N	359.813	3.489	50	40	FGGB	
O=C(NN[C@H]1c2ccccc2C(=O)N1CCc1ccccc1)c1ccccc1	4675656	ZKCGPRFEHGNXEG-OAQYLSRUSA-N	371.440	3.318	50	40	FGGB	
CN(Cc1cccnc1)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	9514901	UFHHRAMHJATOMB-UHFFFAOYSA-N	372.494	3.289	50	40	FGGB	
CC(=O)Oc1cccc(/C=N/NC(=O)c2ccccc2Br)c1	408756182	ODUDRUDPUFBTAO-VCHYOVAHSA-N	361.195	3.138	50	40	FGGB	
CCN(CC)c1ccc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(OC)c1	409198210	ZXZCTDCZSXZSAW-CKMDTHJYSA-N	364.449	3.299	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1cccc([N+](=O)[O-])c1	78784175	MDSRAJGOKXIOPC-SXGWCWSVSA-N	352.394	3.434	50	40	FGGB	
CC/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(O)cc1	5031025	MTAQPZRHHIFALF-QNGOZBTKSA-N	368.462	3.302	50	40	FGGB	
CCn1cc(/C=N/NC(=O)Cc2ccc(OC)c(OC)c2)c2ccccc21	6388301	ZRODIOGXTVEBOD-LPYMAVHISA-N	365.433	3.371	50	40	FGGB	
C/C=C1/C[N@@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1c(O)cccc14	254478515	BDPFMCBRYUSSOJ-HHXCKJLGSA-O	351.470	3.487	50	40	FGGB	biogenic
N[P@@](=O)(OCCCOCc1ccccc1)N(CCCl)CCCl	2033584	HXVMZODBPKLHIJ-JOCHJYFZSA-N	369.229	3.456	50	40	FGGB	
N#CC1=C(N)SC(N)=C(C#N)C1c1ccc(OCc2ccccc2)cc1	705907	VAFMJDITFJPXBL-UHFFFAOYSA-N	360.442	3.484	50	40	FGGB	
COc1ccc(C(=O)N/N=C/c2ccc(Br)cc2)cc1OC	1457937	SIFNZNQHQAPEAV-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
CCCCC(=O)N/N=C(\C)CC(=O)Nc1ccc(Br)cc1	4402112	SFRXYPRBLAGAMM-WOJGMQOQSA-N	354.248	3.460	50	40	FGGB	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc(Cl)cc1Cl	4755626	QQWCBIQWCHRXOS-REZTVBANSA-N	354.149	3.371	50	40	FGGB	
C[C@H](NC(=O)NNC(=O)c1ccccc1)c1ccc(Br)cc1	45127557	LGRUUXSAHWGSAF-NSHDSACASA-N	362.227	3.154	50	40	FGGB	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(C(=O)O)c1	108067637	KYUCOTKLSFDMDY-SDQBBNPISA-N	371.736	3.492	50	40	FGGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCC#N)cc2)c(C)c1	408910712	XTGFHHAISACASN-HZHRSRAPSA-N	365.433	3.379	50	40	FGGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1cccn1-c1ccc(O)cc1	409018800	VCOMXGDHSCMOAN-MTJSOVHGSA-N	369.808	3.365	50	40	FGGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	409242766	SYKAMGMUMMOBNA-BKUYFWCQSA-N	366.352	3.217	50	40	FGGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1O	408727072	YBIYWQNJXGOMNI-JYRVWZFOSA-N	353.334	3.245	50	40	FGGB	
O=C(COc1ccccc1[N+](=O)[O-])N/N=C/c1cccc(Cl)c1Cl	3102418	YQNLFGPOQRUJML-QGMBQPNBSA-N	368.176	3.431	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	108206530	CUFUBDGELNXCDB-JYRVWZFOSA-N	353.334	3.158	50	40	FGGB	
CCOc1ccc(CC(=O)N/N=C(\C)c2ccc(OC)c(OC)c2)cc1	408711806	LLNHTAASGNHSKG-KGENOOAVSA-N	356.422	3.185	50	40	FGGB	
O=C(OCc1ccccc1)N(C[C@@H]1CCCCN1C(=O)CCl)C1CC1	79412126	OVVRWZFUIMYDBH-KRWDZBQOSA-N	364.873	3.408	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)c(C)o1	40140332	HEUXMUBNCZZBSZ-AWEZNQCLSA-N	358.438	3.422	50	40	FGGB	
CC(C)=NNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1	19953222	VUPXTTQCGGSZHZ-UHFFFAOYSA-N	373.478	3.011	50	40	FGGB	
COc1cccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1	716931	YFUHUWUAMNGFQO-IBGZPJMESA-N	358.401	3.408	50	40	FGGB	
O=C(N/N=C1\C(=O)N(Cc2ccccc2Cl)c2ccccc21)C1CC1	105287148	PNRCEVPNRCJMAD-FXBPSFAMSA-N	353.809	3.117	50	40	FGGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccncc2)o1	2231726	BPNZPKWBIHIGNS-RGVLZGJSSA-N	366.333	3.022	50	40	FGGB	
C[C@H]1CCCC[C@@H]1NC(=S)NNC(=O)CCc1c[nH]c2ccccc12	3440984	JBDRNBLPJDOKHW-BBRMVZONSA-N	358.511	3.175	50	40	FGGB	
CCOc1cc(/C=N/NC(=O)OC)ccc1OCc1ccccc1C#N	4525978	LWPZDKMJRBYJIL-CIAFOILYSA-N	353.378	3.226	50	40	FGGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OC)cc1	408787859	GZGZPZWLTIXRDK-XNTDXEJSSA-N	366.373	3.036	50	40	FGGB	
Cc1ccsc1/C=N\NC(=O)COc1cccc(Br)c1	33443794	MQXYIXYCULRQNV-PXNMLYILSA-N	353.241	3.348	50	40	FGGB	
Cc1cc(C(=O)NNC(=O)Cc2cccs2)c(C)n1-c1ccccc1	3300013	MBBKCLNAOQLYSG-UHFFFAOYSA-N	353.447	3.159	50	40	FGGB	
COC(=O)COc1ccccc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408566739	BATCEJMJCPCCJV-JYRVWZFOSA-N	351.337	3.318	50	40	FGGB	
CC1=NN(c2cccc(C)c2)C(=O)/C1=C\NNC(=O)c1ccc(Cl)cc1	408533064	NZUTVQKOSOCHJJ-BOPFTXTBSA-N	368.824	3.189	50	40	FGGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(C(=O)N/N=C/[C@H]2CC=CCC2)o1	17075565	IOVQKGPQDKIODC-MJFYXRTHSA-N	368.437	3.423	50	40	FGGB	
O=C(N/N=C/c1ccccc1Cl)C1CCN(C(=O)c2ccccc2)CC1	409007627	YJYRXSPEWMWKBU-HYARGMPZSA-N	369.852	3.343	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccn1	409241327	RFKXDZOEBJLGKJ-CIAFOILYSA-N	363.377	3.161	50	40	FGGB	
C[C@H](Oc1ccc(/C=N\NC(=O)Nc2ccccc2Cl)cc1)C(=O)O	408856964	MCEQFIQLSBDHOP-ORPVNXHJSA-N	361.785	3.348	50	40	FGGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3c(C)nn(C)c3F)o2)cc1	252483514	FDEMOZOAAVQTHA-UFFVCSGVSA-N	370.384	3.112	50	40	FGGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1OC(F)F)c1ccc(O)cc1	3344400	PQJMJZJEJFGMTJ-ODCIPOBUSA-N	372.274	3.359	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)o1	6226878	XFZBOWBNKWBXGY-CIAFOILYSA-N	360.329	3.490	50	40	FGGB	
O=C(Cc1csc(-c2ccccc2)n1)NNC(=O)c1ccccc1Cl	6790527	CBAFZXSQUUHADM-UHFFFAOYSA-N	371.849	3.467	50	40	FGGB	
CC(C)[C@@H](CC(=O)NNc1nc(-c2ccncc2)no1)c1ccccc1	103193741	VOPYZDDKDRIFBK-MRXNPFEDSA-N	351.410	3.405	50	40	FGGB	
Cc1cc(C(C)C)ccc1OCC(=O)N/N=C\c1ccc2c(c1)OCO2	33336021	KCJOVJGBEVGCIX-FBHDLOMBSA-N	354.406	3.376	50	40	FGGB	
O=C(Cc1ccccc1)NNC(=O)c1ccc(OCc2ccccc2)cc1	6338395	NYQKSFPCBBVHBK-UHFFFAOYSA-N	360.413	3.269	50	40	FGGB	
CCOC(=O)c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1	408915032	OWEPQALIBKWHNT-RGVLZGJSSA-N	360.797	3.046	50	40	FGGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1)C(=O)NC1CCCCC1	408850032	DCSPCWLAPUXMNG-JYRVWZFOSA-N	362.813	3.159	50	40	FGGB	
C#CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(O)ccc32)cc1Cl	409135479	RJZZBEGZBMZRLF-GOSISDBHSA-N	352.777	3.276	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)c2ccccc12	408735450	SAMARNKCENRGAE-MOKGIYGOSA-N	350.418	3.441	50	40	FGGB	
CCOc1cc(/C=N\NC(=O)Cc2ccc(C)cc2C)cc([N+](=O)[O-])c1O	216043680	IKBGKRJUOFAQAK-JAIQZWGSSA-N	371.393	3.009	50	40	FGGB	
CC1CCN(C(=O)[C@@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)CC1	100834652	BWDCQGOQXIOZPI-JCURWCKSSA-N	356.304	3.404	50	40	FGGB	
CCn1c(NNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)nc2ccccc2c1=O	14246897	DXFSFRKOVVQQNR-ZBFHGGJFSA-N	354.454	3.098	50	40	FGGB	
C#CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	408844123	BDSWQYWLMGBXKC-RVDMUPIBSA-N	350.349	3.392	50	40	FGGB	
O=C(CNC1CCCCC1)N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	409382445	MNMGDMWEWCMYOK-CIAFOILYSA-N	370.409	3.227	50	40	FGGB	
C=CCn1cc(/C=N/NC(=O)Cc2ccc3c(c2)OCO3)c2ccccc21	409260920	YMBXJRHNOKNFME-WSDLNYQXSA-N	361.401	3.249	50	40	FGGB	
Cc1cc(/C=N\NC(=O)CSc2nc3ccccc3s2)c(C)n1C	408780744	JKJIBFBEDCGUJW-NVMNQCDNSA-N	358.492	3.494	50	40	FGGB	
O=C(OCc1ccccc1)N1CCC(CN(C(=O)CCl)C2CC2)CC1	79392772	AAZANUQHFDOXCS-UHFFFAOYSA-N	364.873	3.265	50	40	FGGB	
CCCCOc1cccc(C(=O)n2c(C)c(C(=O)NN)c3ccccc32)c1	226367563	UZDNMNMJVKDOHH-UHFFFAOYSA-N	365.433	3.421	50	40	FGGB	
N[C@H](CCSCc1ccc(N(CCCl)CCCl)cc1)C(=O)O	1690211	JIGGGKKAQQBEPX-CQSZACIVSA-N	365.326	3.006	50	40	FGGB	
N#C/C(=C/c1ccc(O)c(Cl)c1)C1=NN(c2ccccc2)[C@H](N)[C@H]1C#N	408784358	QOYRXBHMJDOENP-WMGIFWIASA-N	363.808	3.253	50	40	FGGB	
COc1ccc(CC(=O)N/N=C\c2cc(F)c(N3CCCC3)cc2C)cc1	33416845	OHRGPCRTCKTDJT-UCQKPKSFSA-N	369.440	3.436	50	40	FGGB	
COc1ccc([C@H]2C(C#N)=C(C)NC(C)=C2C(=O)OC(C)C)c(OC)c1	23486216	MVVZIYSLTXQQMU-IBGZPJMESA-N	356.422	3.414	50	40	FGGB	
Cc1cccc(OCC(=O)NNC(=O)c2cccc(Cl)c2Cl)c1	12792906	XCMAESVNMSMWBG-UHFFFAOYSA-N	353.205	3.142	50	40	FGGB	
O=C(CCC(=O)c1cccs1)NNC(=O)c1cc2c(s1)CCCC2	6627537	KVLZMZKBWHIBRB-UHFFFAOYSA-N	362.476	3.113	50	40	FGGB	
O=C(NNc1ncnc2c1cnn2-c1ccccc1)c1ccccc1Cl	5875130	BJPOEFKYSNVALU-UHFFFAOYSA-N	364.796	3.226	50	40	FGGB	
COc1ccc(-n2cccc2/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	408956090	ZZAXHPGFUKQHAH-DEDYPNTBSA-N	364.361	3.158	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc2c1OCO2	409230228	XPRHVTGZDFKVST-YVLHZVERSA-N	364.401	3.080	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1	3240443	LTCRSCOHWDITKS-MPOOZWATSA-N	370.449	3.086	50	40	FGGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccco1	59501659	XAJWJATXTMXHLX-CIAFOILYSA-N	360.373	3.499	50	40	FGGB	
C[C@]12CC[C@@]3(O)[C@@H](CC=C4CC5(CC[C@@]43C)OCCO5)[C@@H]1CC[C@]2(O)C#N	59042291	LKEPHUQNDKLJEI-BYNWGJDGSA-N	373.493	3.062	50	40	FGGB	biogenic
COc1cc(Cl)cc(/C=N\NC(=O)COc2ccc(C)cc2C)c1O	13955357	CYINOQVYWFRPEI-UKWGHVSLSA-N	362.813	3.200	50	40	FGGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc([N+](=O)[O-])c1	408535643	ZHJNRZSDPZXUNS-ZVBGSRNCSA-N	366.299	3.176	50	40	FGGB	
CCN(CC)c1ccc(/C=N\NC(=O)C(=O)Nc2ccc(Cl)cc2)cc1	33671948	MHKMYNYHPRVKEK-BKUYFWCQSA-N	372.856	3.275	50	40	FGGB	
O=C(CNc1ccc(Cl)cc1Br)N/N=C/c1ccco1	1433574	ZBTIDOOZRHPWBW-REZTVBANSA-N	356.607	3.258	50	40	FGGB	
CCc1nc2ccc(C(=O)NNC(=O)c3ccccc3C)cc2nc1CC	40017251	JKSHZVWYYSOECE-UHFFFAOYSA-N	362.433	3.138	50	40	FGGB	
Cc1cccc(N2C[C@@H](C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2=O)c1C	7929026	OVVURTMBVRYDBM-AWEZNQCLSA-N	354.362	3.170	50	40	FGGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1	3233271	DSXCVIAZHPMYEC-GYZOOYGHSA-N	364.401	3.023	50	40	FGGB	aggregator
O=C(CN1CCc2sccc2C1)NNc1ccccc1C(F)(F)F	58792112	MELDJXDKNZEZBE-UHFFFAOYSA-N	355.385	3.268	50	40	FGGB	
COc1cccc(-c2[nH]nc3c2[C@@H](c2ccccc2OC)C(C#N)=C(N)O3)c1	6733535	ZHFWJSADWCRNPJ-KRWDZBQOSA-N	374.400	3.312	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C(=O)O	409169986	RPZODYQWHMEJDH-UKTHLTGXSA-N	354.337	3.468	50	40	FGGB	
Cc1ccc(/C(N)=N/[C@@H](NC(=O)c2ccccc2)C(Cl)Cl)cc1	97946900	JIGSDAYMUQFNFM-INIZCTEOSA-N	350.249	3.260	50	40	FGGB	
COc1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)cc1	1052372	MKKTVHFETTUFFN-LZYBPNLTSA-N	369.240	3.048	50	40	FGGB	
CCOC(=O)c1c(C)[nH]c(C(=O)/C(C#N)=C\c2ccc3c(c2)OCO3)c1C	33658562	YWQZJHBVNSHCRW-AUWJEWJLSA-N	366.373	3.327	50	40	FGGB	
CCn1c(SCC(=O)N/N=C(\C)c2ccc(O)cc2)nc2ccccc21	946791	OPCVIKKTVLUEBT-FYJGNVAPSA-N	368.462	3.394	50	40	FGGB	
C[C@H]1CCc2sc(C(=O)NNC(=S)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2C1	110516236	OGPMJXQUTHSNCF-ZJQBRPOHSA-N	363.552	3.170	50	40	FGGB	
CC(=O)Oc1ccccc1/C=N/NC(=O)CNc1cccc2ccccc12	9246892	WDYZGLQDWVTAEA-YDZHTSKRSA-N	361.401	3.327	50	40	FGGB	
CCOC(=O)NC(C#N)=C(NCc1ccccc1)NCc1ccccc1	4159609	OMRGVXMUTVZIMH-UHFFFAOYSA-N	350.422	3.005	50	40	FGGB	
CCCc1[nH]nc2c1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	4473498	WMJRCASHKXGPIG-ZDUSSCGKSA-N	359.773	3.142	50	40	FGGB	
Cc1ccc(C)c2c1NC(=O)/C2=N\NC(=O)c1cc2ccccc2cc1O	18167710	ZQEUYOWUANENCR-UHFFFAOYSA-N	359.385	3.248	50	40	FGGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccc(F)cc2)cc1OC	409233181	RPFZMCGESQRTKB-UUYOSTAYSA-N	374.799	3.193	50	40	FGGB	
O=C(CC(=O)Nc1ccc(Cl)c(Cl)c1)N/N=C/c1ccc(O)cc1	1437775	KUVJQGXJIDUGRO-DJKKODMXSA-N	366.204	3.178	50	40	FGGB	
N#C/C(C(=O)COC(=O)c1ccccc1O)=C1\Nc2ccccc2S1	100592419	UMFQCLVKJYPJTH-ATVHPVEESA-N	352.371	3.071	50	40	FGGB	
C[C@H]1CCCCN1C(=O)CSC1=C(C#N)[C@H](c2ccccc2)CC(=O)N1	6455728	HRMOVGKADLHMSC-HOCLYGCPSA-N	369.490	3.159	50	40	FGGB	
O=C(Cc1nc(-c2ccccc2)cs1)NNC(=O)c1ccccc1Cl	12601800	NKQRZNSIXARIPP-UHFFFAOYSA-N	371.849	3.467	50	40	FGGB	
C#CCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OC)c(OC)c1	409330572	BOUAUCNEZFFDBR-MTJSOVHGSA-N	372.808	3.133	50	40	FGGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1	33572752	LTCRSCOHWDITKS-JWHQOTJKSA-N	370.449	3.086	50	40	FGGB	
COc1ccc(CC(=O)N/N=C\c2c(O)ccc3ccccc23)cc1OC	83316182	IUNHZLDWWQDHGG-XKZIYDEJSA-N	364.401	3.255	50	40	FGGB	
IC[C@@H]1CSc2nnc3c4ccccc4nc-3n21	40165643	WUJYHWNOWRQDST-SSDOTTSWSA-N	368.203	3.013	50	40	FGGB	
N#CC1=C(N)OC2=C(C(=O)c3ccccc3C2=O)[C@H]1c1ccccc1Cl	96563317	MOWADGKXXSOXSS-HNNXBMFYSA-N	362.772	3.481	50	40	FGGB	
CC(C)/C=C(\C#N)C(=O)N1CC[C@@]2(CCCO2)[C@@H](OCc2ccccc2)C1	585288901	BPARNFPTLPGHHP-IKAOOBOOSA-N	368.477	3.459	50	40	FGGB	
N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)NCc1ccccn1	20534314	NFVXPVZLHCSNQU-KPKJPENVSA-N	360.186	3.207	50	40	FGGB	
COc1ccccc1/C=C/C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2	7689109	JBIRLFFINLKGCT-VOTSOKGWSA-N	368.477	3.462	50	40	FGGB	
Cc1cc2c(c(=O)n1Cc1ccccc1)[C@H](c1ccco1)C(C#N)=C(N)O2	2440734	RFUPTCVTZGDOFX-SFHVURJKSA-N	359.385	3.016	50	40	FGGB	
O=C(CSCc1ccccc1Br)N/N=C/c1ccccn1	4502571	WACIFCBJNRQWMC-GIJQJNRQSA-N	364.268	3.228	50	40	FGGB	
CC(=O)N/N=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12	409010000	AXGKPONJTLFUFE-UFFVCSGVSA-N	368.824	3.403	50	40	FGGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1	409008106	TZXCMDPBNSHVLE-CIAFOILYSA-N	360.329	3.490	50	40	FGGB	
CCOC(=O)c1nc(-c2ccccc2)oc1NNC(=O)c1ccc(F)cc1	32624767	FTBWCWMQZVGIBA-UHFFFAOYSA-N	369.352	3.414	50	40	FGGB	
COc1ccc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(OC)c1	831047	HITVMHKHNGQOBP-PVGUKEHMSA-N	358.463	3.476	50	40	FGGB	
CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCCOc1ccccc1	5006438	GOFBCUPURUEOKP-GHRIWEEISA-N	366.417	3.196	50	40	FGGB	
CC/C(=N\NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(OC)c(OC)c1	6377911	PFCZXKIZQBGYNW-XDJHFCHBSA-N	357.366	3.156	50	40	FGGB	
COc1ccc(Cl)cc1C(=O)NNC(=O)c1oc2ccccc2c1C	14377776	KCNAHNQPHTUBQJ-UHFFFAOYSA-N	358.781	3.478	50	40	FGGB	
O=C(CCC(=O)Nc1ccccc1Br)N/N=C/c1ccccc1	3168562	ZRPOXBQZDZMIQE-XDHOZWIPSA-N	374.238	3.318	50	40	FGGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1cccs1	1247243	WJYMODOYSUBNAU-UHFFFAOYSA-N	367.474	3.433	50	40	FGGB	
O=C(CSc1ccccn1)N/N=C/c1cccc(Br)c1	1499920	WMZKAYKUBALZIN-RQZCQDPDSA-N	350.241	3.087	50	40	FGGB	
N#CC1=C(N)C(C#N)(C#N)C2=CCSC[C@@H]2[C@@H]1c1ccccc1Cl	4631694	JORXQYWYJCBJJH-XJKSGUPXSA-N	352.850	3.497	50	40	FGGB	
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)N2C(=N1)SC(C#N)=C2N	408602763	DPVABSXEIIDHKC-MRXNPFEDSA-N	368.462	3.332	50	40	FGGB	
Cc1cc(C(=O)CCl)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O	3886286	RGVJYHXOUGSGIM-UHFFFAOYSA-N	357.841	3.313	50	40	FGGB	
O=C(Cc1ccsc1)NNC(=S)Nc1ccccc1C(F)(F)F	7983892	LLLRGQYOBURWLB-UHFFFAOYSA-N	359.398	3.327	50	40	FGGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(C#N)cc2F)cc1OCC	408964196	BUUHVCOOVXPTHO-WSDLNYQXSA-N	355.369	3.259	50	40	FGGB	
COCCN1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1CC(C)(C)CC2=O	409148181	XNRCWEQDLPIYLP-INIZCTEOSA-N	357.479	3.131	50	40	FGGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1	409262720	JQXAUVNAGNEFFR-XDHOZWIPSA-N	357.366	3.156	50	40	FGGB	
Cc1cc(/C=N/NC(=O)c2cccnc2)c(C)n1-c1cccc([N+](=O)[O-])c1	2304826	URQLUAMUZAJABN-CIAFOILYSA-N	363.377	3.161	50	40	FGGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Br)c1O	5720135	XIFZPEWKODDAFA-WDZFZDKYSA-N	365.227	3.129	50	40	FGGB	
CCc1ccc(NC(=O)CCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1	4401962	XPGCTXONUUPSPZ-DEDYPNTBSA-N	368.393	3.026	50	40	FGGB	
CC(C)(C)[C@@H](Br)C(=O)NCCC(=O)Nc1ccc(F)cc1	8733183	VWMZGRKXMSKHDM-ZDUSSCGKSA-N	359.239	3.080	50	40	FGGB	
CCOC(=O)c1ccc(-c2ccc(/C=N\NC(=O)c3cccnc3)o2)cc1	4702582	SCTXZDBQAHCTIR-XKZIYDEJSA-N	363.373	3.282	50	40	FGGB	
C/C(=N/NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1ccc(C)c(C)c1	5002713	IMXTUNMJVNJDRQ-PDGQHHTCSA-N	356.338	3.274	50	40	FGGB	
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)C(C#N)=C(N)O3)cc1	17074510	PEDCCZDTACRSBB-MRXNPFEDSA-N	362.364	3.443	50	40	FGGB	
CN1C(=O)/C(=N\NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	5510324	MZYKKBAWHDLGTA-FLFQWRMESA-N	369.424	3.315	50	40	FGGB	
CC[C@@H](Nc1cccc(Br)c1)C(=O)N/N=C/c1ccncc1	2750379	ZYJIHYSTRHLDMO-SKCQWOFPSA-N	361.243	3.185	50	40	FGGB	
COC(=O)c1c(NC(=O)/C(C#N)=C\c2cccnc2)sc2c1CCCC2	5016816	LBNIUQGAYIFNOY-LCYFTJDESA-N	367.430	3.354	50	40	FGGB	
COc1cccc(-c2[nH]nc3c2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O3)c1	5161539	YSTDTUXRUFEEBQ-INIZCTEOSA-N	362.364	3.443	50	40	FGGB	
CC(C)(C)c1ccc(OCCOc2ccc(/C=N/NC(N)=O)cc2)cc1	4510978	JDMQZIBDZVVOAF-HYARGMPZSA-N	355.438	3.444	50	40	FGGB	
COc1cccc(/C=N/NC(=O)c2ccccc2Br)c1OC	4721151	BZWDLDVSPHXYEY-VCHYOVAHSA-N	363.211	3.230	50	40	FGGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)c([N+](=O)[O-])c2)cc1	120106694	KODNCVXYYPSGCO-SXGWCWSVSA-N	351.362	3.135	50	40	FGGB	
Cc1ccc(NC(=O)C(=O)N/N=C\c2ccccc2Br)cc1C	223153160	GCMCSABGUHYJKT-GRSHGNNSSA-N	374.238	3.155	50	40	FGGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCC(=O)O	6229932	KPLOYJCTYCNGMG-AUWJEWJLSA-N	354.318	3.131	50	40	FGGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc(C)c1O	58377790	BGJGOCLJFUOVKZ-BOPFTXTBSA-N	363.417	3.257	50	40	FGGB	
Cc1n[nH]c2c1[C@H](c1c(C)nn(-c3ccccc3)c1Cl)C(C#N)=C(N)O2	6530655	KCGMCKBTYPWZOI-HNNXBMFYSA-N	366.812	3.084	50	40	FGGB	
COc1ccc(OC)c(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1	408905279	WOEHTYGBDABCBG-GRSHGNNSSA-N	369.333	3.122	50	40	FGGB	
Cc1nc2ccccn2c1C(=O)N/N=C/c1cccc(Br)c1	6210458	FYTJNSBZWKZRDD-VCHYOVAHSA-N	357.211	3.169	50	40	FGGB	
O=C(NNC(=O)[C@@H]1CC=CCC1)c1cc(-c2ccncc2)nc2ccccc12	12545944	RNIIEGUZUVZWAK-MRXNPFEDSA-N	372.428	3.414	50	40	FGGB	
C/C(=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)[C@@H](C)O	4679986	XYFQNQHZZWTVDL-GXPOEHQZSA-N	353.422	3.004	50	40	FGGB	
C/C(=N\NC(=O)Cc1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1	17074708	QOBBBSFEXOTEQY-FSJBWODESA-N	363.339	3.270	50	40	FGGB	
C#CCn1cc(/C=N/NC(=O)CNc2ccc(Cl)cc2)c2ccccc21	409364697	OTOQLPXUQAWKRQ-FSJBWODESA-N	364.836	3.490	50	40	FGGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc[n+](Cc2ccccc2)cc1	825273	REYSVHNSAVBQCC-UHFFFAOYSA-O	355.421	3.268	50	40	FGGB	
CCn1c(C)cc2c(c1=O)[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2339188	HDILRCYPGYWPKU-CQSZACIVSA-N	359.788	3.187	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(OC)c1O	408962374	HVVVQHUJVZUAMX-ZVBGSRNCSA-N	368.311	3.192	50	40	FGGB	
O=C(N/N=C/c1ccco1)c1ccc(OCc2nc3ccccc3[nH]2)cc1	12967519	IIARSUCTPRZFNC-CIAFOILYSA-N	360.373	3.499	50	40	FGGB	
NNC(=O)/C=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1	226333467	WNIXDACNWHDWKY-XBXARRHUSA-N	365.202	3.170	50	40	FGGB	
CC[C@@H](C)NC(=O)C(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408941054	PHUWONQNSZNVPQ-HJGVYBFFSA-N	368.481	3.076	50	40	FGGB	
O=C(Cc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])cc1Br	408590319	OYMCXSYWUGDGPU-LICLKQGHSA-N	362.183	3.050	50	40	FGGB	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCO2)c2ccccc12	408735451	SAMARNKCENRGAE-NWNNTGRJSA-N	350.418	3.441	50	40	FGGB	
CCCn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21	100534733	ZEBYZWRKUOZSLS-WSDLNYQXSA-N	367.380	3.020	50	40	FGGB	
CN(c1ccc(C(=O)NN=C2CCCC2)cc1)S(=O)(=O)c1ccccc1	5205787	MBPBNDNNSIFYAB-UHFFFAOYSA-N	371.462	3.172	50	40	FGGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc(OC)c4)c32)cc1	6772923	ABFBCNUTUSHALV-QGZVFWFLSA-N	374.400	3.312	50	40	FGGB	
Cc1cc(SC#N)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2	7051364	HQYPHJXUGLZKJI-UHFFFAOYSA-N	362.432	3.140	50	40	FGGB	
COc1cccc(CC(=O)N/N=C\c2ccc(N3CCCC3)c(F)c2)c1	409072081	AVYOGTYJBCZRGH-HMAPJEAMSA-N	355.413	3.127	50	40	FGGB	
COc1ccc(/C(C)=N\NC(=O)COc2ccc(C)c(C)c2)cc1OC	136296794	QTHMFZKQNSRPIE-QNGOZBTKSA-N	356.422	3.240	50	40	FGGB	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cccc(Br)c1	857762	HFGIIRZMNXXZSG-VXLYETTFSA-N	359.227	3.220	50	40	FGGB	
N#CC1=C2SC[C@](O)(c3ccco3)N2C(=O)C[C@H]1c1ccc(F)cc1	12275308	XREZZXCKUMNOGZ-UGSOOPFHSA-N	356.378	3.062	50	40	FGGB	
O=[N+]([O-])c1cccc(P(=O)(OCC2CC2)c2cccc([N+](=O)[O-])c2)c1	2248920	CXIOKXVGJKBVAS-UHFFFAOYSA-N	362.278	3.159	50	40	FGGB	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)c2nc(N)nc(N(C)C)n2)c1C	11297974	SAPDHUSNKDDAMW-GZTJUZNOSA-N	373.464	3.300	50	40	FGGB	
O=C(NNC(=O)c1cc2c(s1)-c1ccccc1OC2)c1ccccc1	12746959	UJPUMNDUGUWURM-UHFFFAOYSA-N	350.399	3.382	50	40	FGGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1c1ccc([N+](=O)[O-])s1	4572520	UYYDYKCURGSPAK-NSHDSACASA-N	371.403	3.326	50	40	FGGB	
CC(C)c1[nH]nc2c1[C@H](c1cc3c(cc1Cl)OCO3)C(C#N)=C(N)O2	8382707	ZPJBHWSGHFDVPF-CYBMUJFWSA-N	358.785	3.133	50	40	FGGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc(OC)c1OC	6033594	DDBATHCFMYYKDT-KEBDBYFISA-N	362.813	3.438	50	40	FGGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cccc3c2OCCO3)c1	6188757	NBAYFGJJPRNZGF-SRZZPIQSSA-N	370.474	3.458	50	40	FGGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cnn2cccnc12	44007335	KRKHNSZPECUPRF-UHFFFAOYSA-N	356.600	3.446	50	40	FGGB	
CC(C)NC(=O)C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58914328	YLCRMTHHIJHSKE-UWVJOHFNSA-N	368.220	3.228	50	40	FGGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N(C)C)c2C)c(C)c1	59334462	RAUFGDOGPKZWQM-WQRHYEAKSA-N	365.433	3.184	50	40	FGGB	
C=CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1OCC	4570948	ZVGUGANNWUZILY-IBGZPJMESA-N	366.417	3.465	50	40	FGGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-]	408887486	OUJDEEABOZDFRT-XYOKQWHBSA-N	368.305	3.057	50	40	FGGB	
C[C@H](Sc1cccc[n+]1[O-])C(=O)/C(C#N)=C1/Nc2ccccc2S1	102376607	JMBUFLPUVRTNAA-TUCQUAOGSA-N	355.444	3.323	50	40	FGGB	
CC[C@@H](Nc1ccc(C)cc1C)C(=O)N/N=C/c1cccc(OC)c1O	695741	JTFSCBWSMONXCP-SVZNOHIVSA-N	355.438	3.358	50	40	FGGB	
O=C(C[C@@H]1C=CCC1)NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	12554214	TZOCRXQQAOZESV-OAHLLOKOSA-N	372.428	3.414	50	40	FGGB	
O=C(NNC(=O)c1ccccc1F)c1ccc(COc2ccccc2)o1	6510317	JLDDNBFMANWJDQ-UHFFFAOYSA-N	354.337	3.073	50	40	FGGB	
CCc1ccc(C(=O)NNc2ncnc3c2cnn3-c2cccc(C)c2)cc1	7393208	XBIHNGCVLJTZIL-UHFFFAOYSA-N	372.432	3.443	50	40	FGGB	
CCOc1cc([N+](=O)[O-])cc(/C=N\NC(=O)c2cc3ccccc3o2)c1O	408945921	OHDAGHPJOCKPQX-GRSHGNNSSA-N	369.333	3.209	50	40	FGGB	
CN(C)c1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Cl)o1	408993141	CIIXCPNSMGILSM-LSCVHKIXSA-N	356.209	3.182	50	40	FGGB	
O=C(N/N=C/c1ccc(OC(=O)c2cccc(F)c2)cc1)c1ccncc1	3101640	DMMRNXIJCKSUBU-YDZHTSKRSA-N	363.348	3.204	50	40	FGGB	
O=C(O)COc1cccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1	408748541	DTQBMUHBQHDHIX-UFWORHAWSA-N	367.188	3.221	50	40	FGGB	
CCOc1ccc(/C(C)=N\NC(=O)c2cccc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	408567585	ORHUSVWHYQRULZ-WQRHYEAKSA-N	372.337	3.056	50	40	FGGB