smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC1=CC2=C(C=O)[C@@]3(c4cccc(Br)c4CCN3C)[C@](C)(O)[C@@H](O)C2=CO1	963281202	QEGRFAVBRFQQLS-HBMCJLEFSA-N	432.314	2.571	50	1	IFGF	
COc1cc(OS(=O)(=O)c2ccc(NC(=O)NCCCl)cc2)cc(OC)c1OC	118400365	JGAFBKSMRAQWLA-UHFFFAOYSA-N	444.893	2.840	50	1	IFGF	
CCCC(=O)NCC(CNC(=O)CCC)OC(=O)c1ccc(CCl)c([N+](=O)[O-])c1	2178320151	LEVYUVACVZCJFH-UHFFFAOYSA-N	427.885	2.692	50	1	IFGF	
Cn1nnnc1SCC(=O)N/N=c1/scc(-c2ccc(F)cc2)n1-c1ccccc1	103241809	VAYSUJLAGCJAHA-ZBJSNUHESA-N	441.517	2.593	50	1	IFGF	
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)NN)cc2[nH]1	586934635	CNHBBHBTODPQNF-INIZCTEOSA-N	447.586	2.556	50	1	IFGF	
COC(=O)[C@@]1(CBr)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21	962930493	VWSYPPWIRPEKGR-LPHOPBHVSA-N	436.258	2.547	50	1	IFGF	
N#C/C(=C\c1cccc(O)c1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1cccc(O)c1	13676718	CYQNGPBPHNJLAX-AYKLPDECSA-N	430.464	2.625	50	1	IFGF	
CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1cccc[n+]1[O-]	40447777	XASHPFFLPOAPON-SQYHMDOVSA-N	439.493	2.936	50	1	IFGF	
CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]12	135872135	SOYOKDAJYCGEAL-FJOXFUELSA-N	444.952	2.685	50	1	IFGF	
CC(=O)O[C@H]1C(COC(=O)c2ccccc2)=C[C@@H](Cl)[C@H](O)[C@@H]1OC(=O)c1ccccc1	144652838	CAABTNRNYPEXCM-ANULTFPQSA-N	444.867	2.909	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1	618008152	SLUNBCIYTFWSAP-UHFFFAOYSA-N	431.574	2.876	50	1	IFGF	
CC(C)(C(=O)N[C@@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1)c1ccccc1N	49877464	YGIWOTXYUGIVQV-KUNJGFBQSA-N	437.308	2.886	50	1	IFGF	
Nc1nccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	587537273	CGGNGAXQVPTLPO-BEFAXECRSA-N	428.242	3.016	50	1	IFGF	
Cc1nc(C(=O)NNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)cc2c1[nH]c1ccccc12	73129593	QSVZEQCFFUTBQV-SFHVURJKSA-N	426.480	2.837	50	1	IFGF	
O=C1C[C@@](O)(C(Br)Br)C(Br)=C1Br	2356802160	RXDRFVDKFXRBAH-LURJTMIESA-N	427.712	2.808	50	1	IFGF	
O=C(CSCC(=O)N/N=C\c1ccc(F)cc1F)N/N=C\c1ccc(F)cc1F	38807595	SSHRGHTUXIMYAH-YLSUZJBISA-N	426.395	2.577	50	1	IFGF	
COc1ccc(CC(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc1	618007957	OCXBZSFIXOQERN-SFHVURJKSA-N	439.647	2.536	50	1	IFGF	
Cc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1	72141184	IVHYRKLXXSRUEO-FQEVSTJZSA-N	430.464	2.860	50	1	IFGF	
C/C(C=O)=C\CC/C(C)=C/COc1ccc([C@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1	95912063	ZHYIPTBPSLKFJK-BZVCGXSKSA-N	435.542	2.645	50	1	IFGF	biogenic,in-vitro
CC1(C)O[C@H]2O[C@H](CI)[C@H](OC(=O)/C=C/c3ccccc3)[C@H]2O1	38320034	COBXTGGLCAMKHR-PYWVHAPBSA-N	430.238	2.923	50	1	IFGF	biogenic
C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccccc1Br	100970041	LOVITDYKLUACEU-VXLYETTFSA-N	436.287	2.508	50	1	IFGF	
COc1cccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)c1	103218709	JGRKKMZOCHLSMY-UHFFFAOYSA-N	429.444	2.914	50	1	IFGF	
NNC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1	587170775	JRZYLBJAVHERLA-UHFFFAOYSA-N	425.445	2.773	50	1	IFGF	
N#CCC(=O)NN/C(=C/[C@@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21)c1ccccc1	963126621	WGDZMPLOWGYIQU-DILWRCETSA-N	444.413	2.864	50	1	IFGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1	587682989	FGQGZWZZWHWDBG-HUTHGQBESA-N	432.673	2.583	50	1	IFGF	
Cc1ncc([N+](=O)[O-])n1CCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	473096852	AVIOGHRTPXAPHW-WSDLNYQXSA-N	438.400	2.851	50	1	IFGF	
Cc1ccc(C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1	299864240	QXSVPZNMSDJBDC-UHFFFAOYSA-N	426.476	2.757	50	1	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1	33970645	BEECYWPPXWUPIT-LIZHKJBWSA-N	432.557	2.915	50	1	IFGF	in-man
O=C(CCl)OCC1=CC(=O)[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	587325296	DKHLQOOUMFQKRH-IFMALSPDSA-N	446.814	2.894	50	1	IFGF	
O=C(CCl)N1CCCc2cc(S(=O)(=O)N3C[C@H](c4ccccc4)NC3=O)ccc21	72176561	PWBNJQPBTJOZJM-QGZVFWFLSA-N	433.917	2.660	50	1	IFGF	
CC1=CC2=C(C=O)[C@]3(c4cccc(Br)c4CCN3C)[C@](C)(O)[C@@H](O)C2=CO1	963281203	QEGRFAVBRFQQLS-PWRODBHTSA-N	432.314	2.571	50	1	IFGF	
O=C(CNc1ccnc2cc(Cl)ccc12)NNC(=O)[C@@H]1Cc2c([nH]c3ccccc23)CN1	1911571967	GVPYDUHHQRSINY-FQEVSTJZSA-N	448.914	2.643	50	1	IFGF	
COC(=O)C[C@@H](Br)[C@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	587498534	IFIRFRNQEODLMU-BEFAXECRSA-N	425.275	2.769	50	1	IFGF	
CC=CCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@@]2(C)O[C@H]1O	2356748814	SMQUWAPDCGSDCO-IUGIXFBWSA-N	425.953	2.919	50	1	IFGF	
Cc1ccc(S(=O)(=O)n2cc([C@@]3(O)C[C@H](CSC#N)OC3=O)c3ccccc32)cc1	29038266	MGBUCTJSPXJVHS-VFNWGFHPSA-N	442.518	2.904	50	1	IFGF	
CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(C)O	253694934	WUASKKJXJMFQRK-MGSPEMMDSA-N	426.531	2.677	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O	587811655	OFVPGVMILRDICE-CIAMYDHXSA-N	444.297	2.790	50	1	IFGF	
Cc1cc(C)n2ncc(C(=O)NCc3cn(CCCSSCCN(C)C)nn3)c2c1	618009818	KQOIWQNTBSHJJI-UHFFFAOYSA-N	447.634	2.806	50	1	IFGF	
COc1cc2c(cc1OC)[C@@]13CC[N@@+]4(CCl)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	253862580	GCEPQLWZBVGLQN-KRDOAMIGSA-N	443.951	2.821	50	1	IFGF	in-vitro
COc1cccc(C=NNC(=O)[C@@H](C)S[C@H](C)C(=O)NN=Cc2cccc(OC)c2)c1	254018049	RGOGHTJKUCHEDX-HZPDHXFCSA-N	442.541	2.814	50	3	IFGF	
COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1	72124485	VSAWUKYBHPBXHF-NRFANRHFSA-N	432.480	2.895	50	1	IFGF	
C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CC[C@@]3(O)[C@@H]1C5	169361310	AKXCFAYOTIEFOH-FALJUIQLSA-N	445.519	2.518	50	1	IFGF	
COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)C1=O	13126184	VMYJJAXADQFBOO-GHRIWEEISA-N	448.435	2.639	50	3	IFGF	
COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@@H]1c1cccc([N+](=O)[O-])c1	95570010	BGAPFHUQNFKGME-FQEVSTJZSA-N	436.424	2.967	50	3	IFGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1	618007647	DDEAEDQPKBVMKK-CQSZACIVSA-N	431.574	2.876	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(F)cc(F)c2)CC1	618007758	HKQKFKGEXBYJCM-UHFFFAOYSA-N	431.574	2.876	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)C=CC(=O)[C@@]12COC(C)=O	2356625513	PAXFBCGUYYUOHL-BUAQEVMQSA-N	430.497	2.619	50	1	IFGF	
CC1=Nn2c(nnc(C)c2=O)NNP1(c1ccccc1)(c1ccccc1)c1ccccc1	101861736	CANIUJYGVDXGTE-UHFFFAOYSA-N	442.463	2.503	50	1	IFGF	
Cc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)cc1	49051789	PMMMHGFNWMRTAP-NRFANRHFSA-N	434.521	2.947	50	1	IFGF	
CCCc1nn([C@@H]2CCOC2)c2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	1857648746	GSPBFTXGSHGZCB-PXAZEXFGSA-N	441.444	2.638	50	1	IFGF	
COCCOc1cccc2c1C(=O)c1c(OCCOC)cc(NC(=O)CCl)cc1C2=O	1857606365	ADGJNOIHNGSAIC-UHFFFAOYSA-N	447.871	2.690	50	1	IFGF	
NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586958262	HCIMLCWZPGTTLH-GKCIPKSASA-N	439.541	2.861	50	1	IFGF	
CN1C(=O)C[C@H]2CN[C@]3(CC(C)(C)CC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963032809	TUVRJJMDCVHQHH-HWRSSNJWSA-N	440.507	2.767	50	1	IFGF	
CCC[C@H](OC(C)=O)C1=C(Br)[C@](CI)(OC)OC1=O	13379613	JLDSXGUGUNGPOD-QPUJVOFHSA-N	447.063	2.702	50	1	IFGF	biogenic
COC1=C/C(=C/NNC(=O)c2cc(-c3c(C)nn(-c4ccccc4)c3C)n[nH]2)C=CC1=O	13120333	JDFTZADTSZSHLS-DTQAZKPQSA-N	430.468	2.667	50	3	IFGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	84669939	VRHLYDXNMADXGI-KIDGWVDNSA-N	428.478	2.619	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O	587811661	OFVPGVMILRDICE-ZQELIYSOSA-N	444.297	2.790	50	1	IFGF	
CCCCS(=O)(=O)C[C@]1(C)OO[C@@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169365054	WUASKKJXJMFQRK-CPDPWVEUSA-N	426.531	2.677	50	1	IFGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(N)n2)N1	587673377	MKMXBEHZAKDUMN-ANRSDYALSA-N	430.119	3.133	50	1	IFGF	
CN1C(=O)C[C@H]2CN[C@@]3(CC(C)(C)CC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963032814	TUVRJJMDCVHQHH-SXBQZSJRSA-N	440.507	2.767	50	1	IFGF	
Cc1ccc(O)c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1	618007738	HAPUZVIXNNIBLG-INIZCTEOSA-N	425.620	2.612	50	1	IFGF	
COc1cc(/C=N/NC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)ccc1O	667531	CVJAEQNQXXNCHG-DNTJNYDQSA-N	433.808	2.873	50	1	IFGF	
O=C1CC=C2[C@@H]3C[C@@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C\CBr	195424188	VFOJBHJJEXIGII-RCRSPOKDSA-N	429.314	2.810	50	1	IFGF	
COc1ccccc1CC(=O)N1CCC[C@@H](C(=O)NCCSSCCN(C)C)C1	618007678	DZSFRHRJUMIKBL-GOSISDBHSA-N	439.647	2.536	50	1	IFGF	
CC(=O)O[C@@H]1C(COC(=O)c2ccccc2)=C[C@H](Cl)[C@@H](O)[C@@H]1OC(=O)c1ccccc1	2356519453	CAABTNRNYPEXCM-BQJUDKOJSA-N	444.867	2.909	50	1	IFGF	
C[C@@]1(CSc2nc3ccccc3o2)S[C@@H]2[C@H](Br)C(=O)N2[C@H]1C(=O)O	26292959	XJAMHNGKVYJQKN-HMDURAKOSA-N	429.317	2.810	50	1	IFGF	
CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169365056	WUASKKJXJMFQRK-WRJHFWDFSA-N	426.531	2.677	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@]23O)CC(C)(C)[C@H]4O)c(O)c1	257495725	NQAHWJIWYRYXFP-NMBNJKQKSA-N	430.497	2.538	50	1	IFGF	endogenous,in-man
CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)O	299808604	WUASKKJXJMFQRK-JOTVOLILSA-N	426.531	2.677	50	1	IFGF	
CC(C=O)=CCCC(C)=CCOc1ccc([C@@H](O)CNC(=O)C=CS(C)(=O)=O)cc1	2356674206	ZHYIPTBPSLKFJK-NRFANRHFSA-N	435.542	2.645	50	1	IFGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(N)n2)N1	587674320	WAIVCRKDUCTMHP-AYVTZFPOSA-N	430.119	3.133	50	1	IFGF	
CC[C@H](Br)[C@@H]1C[C@H](O)[C@H](O)C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1	2356434702	BKHFTVFNYNKPGW-ADGSWVTGSA-N	426.145	2.651	50	1	IFGF	
Cc1ccc(S(=O)(=O)NNC(=O)NC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1	68573600	FEPZZGKNQOFRDF-UHFFFAOYSA-N	447.279	2.913	50	1	IFGF	biogenic
NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586958265	HCIMLCWZPGTTLH-UAOJZALGSA-N	439.541	2.861	50	1	IFGF	
CCOc1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1	618007702	FIBGRLMFXQSGFV-UHFFFAOYSA-N	439.647	2.997	50	1	IFGF	
[C-]#[N+]COc1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)nc1	1772612923	YNKQUDNLALCMII-ZKTNFTSUSA-N	444.542	2.937	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1	14447182	LPPCHLAEVDUIIW-TUNBAZDPSA-N	432.557	2.819	50	1	IFGF	endogenous,in-man
N[C@](CCCCB(O)O)(C(=O)O)C1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1	170188871	NOQKROHNZBMZBH-FQEVSTJZSA-N	444.303	2.775	50	1	IFGF	
Cc1cc(C(=O)NN/C=C2\C=C(Br)C=C([N+](=O)[O-])C2=O)c2ccccc2n1	15974071	HQJIFJKPRAUZFY-PKNBQFBNSA-N	429.230	2.684	50	3	IFGF	
C=CC[C@@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1O	2356501546	DRKBKMXGRPKDIP-OUIFVKKZSA-N	444.603	2.539	50	1	IFGF	
CC(=O)N[C@@H](CCCN(Cc1ccccc1)C(=O)N(C)N=O)C(=O)NCc1ccccc1	5810889	QSHJJUVAJQXCIT-NRFANRHFSA-N	439.516	2.823	50	1	IFGF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C	587240496	UVFYPMKVFOOMKN-ODIUBACGSA-N	429.521	2.721	50	1	IFGF	
COc1ccc(Nc2nc(NNC(=O)c3ccncc3)nc(Nc3ccccn3)n2)cc1	103218712	FUDRQMVOGALEAJ-UHFFFAOYSA-N	429.444	2.914	50	1	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@]3(C)CC[C@]2(C)CC1	257384531	BEECYWPPXWUPIT-ZUAXIKKWSA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@@H]25)CC3=CCBr	1857622812	VFOJBHJJEXIGII-NHOOAETJSA-N	429.314	2.810	50	1	IFGF	
NC(=O)[C@H](Cc1ccc(O[P@](=O)(O)CCl)cc1)NC(=O)OCc1ccccc1	27110108	UKKRDSMOUXSQHF-INIZCTEOSA-N	426.793	2.770	50	1	IFGF	
O=C(CSc1nnnn1-c1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])cc1	103276482	VUQMGTMHPULAAJ-CIAFOILYSA-N	433.453	2.966	50	1	IFGF	
O=C(NNC(=O)c1cc2cc(Br)ccc2oc1=O)c1cc(Cl)ccc1O	1857540354	KJWAKVIUFNCYLV-UHFFFAOYSA-N	437.633	2.989	50	1	IFGF	
COc1ccc([C@@H]2C(C#N)=C(N)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])cc1	103202310	ZBWGARSUSKOGFE-GOSISDBHSA-N	438.875	2.798	50	1	IFGF	
N[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCBr)CCBr	1651191	VUBQJZIZBRBAGS-FQEVSTJZSA-N	435.009	2.863	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C/CBr	263591310	VFOJBHJJEXIGII-ZNDFRNRSSA-N	429.314	2.810	50	3	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@H]1c1ccc(O)cc1	199898703	HWQIPGANKAMDMO-ZWKOTPCHSA-N	443.847	2.941	50	1	IFGF	
C[N+](C)(C)CC(=O)N/N=C(\CCC(=O)NCCc1ccccc1)CC(=O)c1ccccc1	17188845	FKEOXAFKLVUESU-HPNDGRJYSA-O	437.564	2.577	50	1	IFGF	
Cc1cc([C@]2(CCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1CC(N)=O	962713952	PLFRHLNRKSINHZ-VQIMIIECSA-N	427.854	2.718	50	1	IFGF	
CN1C(=O)C[C@H]2CN[C@](CBr)(CS(=O)(=O)c3ccccc3)c3cccc1c32	963032776	SQZZTPGZSAAZBO-VBKZILBWSA-N	449.370	2.804	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc(F)c2)C1	618008678	XMSUQPGFNXCTLY-KRWDZBQOSA-N	427.611	2.666	50	1	IFGF	
C=CCN/C(SC)=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	1911574672	OQDOVMXNMCYSDW-KNTRCKAVSA-N	447.542	2.905	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1O	199899081	FKHXIWUAMOENOX-MSOLQXFVSA-N	443.847	2.941	50	1	IFGF	
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C\c1ccc(OC(=O)c2ccccc2)cc1	61878106	VNRLZXAZXOYAHS-QFEZKATASA-N	446.419	2.694	50	3	IFGF	
C/C(C=O)=C\CC/C(C)=C/COc1ccc([C@@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1	238750399	ZHYIPTBPSLKFJK-DKOGWASHSA-N	435.542	2.645	50	1	IFGF	
COc1cccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1	618008335	YNRMEQGWEJXTAR-KRWDZBQOSA-N	425.620	2.607	50	1	IFGF	
COc1ccc(Cl)cc1C#Cc1ccc(-c2nnc(SCC(=O)NN)n2C)cc1	587919847	YWERIGYTYCWORX-UHFFFAOYSA-N	427.917	2.626	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@H]1c1ccc(O)cc1	199898777	HWQIPGANKAMDMO-QZTJIDSGSA-N	443.847	2.941	50	1	IFGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc4c(c1)CCN4S(C)(=O)=O)[C@@H](C2)C3=O	587450720	ULUKRALORILLNW-HRAATJIYSA-N	433.913	2.899	50	1	IFGF	
Cc1nc(C)c(COc2ccc(N3C[C@@H](CNC(=O)CCl)OC3=O)cc2F)nc1C	1857747630	TVZFWMSFHYDDJC-OAHLLOKOSA-N	436.871	2.800	50	1	IFGF	
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2/C(=N\NC(=O)c2ccccc2)CC[C@]3(O)[C@H]1C5	169693572	AKXCFAYOTIEFOH-CVRRLSICSA-N	445.519	2.518	50	1	IFGF	
CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O	149811385	CRLQZUAHPNQYHT-VULFUBBASA-N	444.482	2.531	50	1	IFGF	
COc1ccc(/C=C(\C#N)C(=O)NCCCNC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1	13676707	BEQGWORDWFGHGC-OZNQKUEASA-N	444.491	2.840	50	1	IFGF	
NCCCC[C@H](NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)C(=O)NN	43080313	TXHYFOJKMNNLDJ-ZYTNRUGMSA-N	449.599	2.920	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1	14681047	NQAHWJIWYRYXFP-JKXXITNYSA-N	430.497	2.538	50	1	IFGF	endogenous,in-man
CN(C)C(=O)c1ccc2c(c1)[C@](CBr)(c1cccc3c1OCCO3)NCC2	962938073	UYKWLXTVOKFQSM-NRFANRHFSA-N	431.330	2.944	50	1	IFGF	
O=[N+]([O-])c1ccc(COP(=O)(NCCBr)NCCBr)o1	29053322	AVOXVOMQQZNGRK-UHFFFAOYSA-N	435.009	2.782	50	1	IFGF	
N#CC1=C(N2C(=O)C(=O)N(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@@H]12	96935417	FDEGDYLJIJLPFJ-SFHVURJKSA-N	427.420	2.822	50	1	IFGF	
C[C@@H]1CC[C@H]2C(CNS(C)(=O)=O)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4	103186136	ZNIJDLUFHWIGQB-AQHRXDFISA-N	427.441	2.598	50	1	IFGF	
Cc1ccccc1C[C@H](NC(=O)C[C@H](NC(=O)c1ccccc1)c1cccc(F)c1)B(O)O	195468671	KSNUEUMAKWNMMV-GOTSBHOMSA-N	448.303	2.735	50	1	IFGF	
COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21	962929787	XOGUNNQAZBOXGE-HSZRJFAPSA-N	440.931	2.890	50	1	IFGF	
O=C(O)CC[C@H](NC(=O)Oc1ccc(N(CCCl)CCCl)c(F)c1)C(=O)O	27559507	YWXZFMFNNFJJFE-LBPRGKRZSA-N	425.240	2.516	50	1	IFGF	
O=C(NNc1nc(Nc2ccccn2)nc(Nc2ccccc2[N+](=O)[O-])n1)c1ccncc1	103218775	JHTPIUMHLILCAE-UHFFFAOYSA-N	444.415	2.814	50	1	IFGF	
NCCC[C@H](NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)C(=O)NN	43059314	LQYKBXSRNBETMR-GUEZKQMUSA-N	435.572	2.530	50	1	IFGF	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCC[C@@H](OC(C)=O)C3)cc2)cc1	1857745350	QVYPDZJOCKVXAT-RWOVVYLESA-N	437.496	2.903	50	1	IFGF	
CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]21C	2356343524	RACDDTQBAFEERP-AYOHGXJXSA-N	434.916	2.554	50	1	IFGF	
O=C(CCl)OCC1=CC(=O)[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1	587325297	DKHLQOOUMFQKRH-IRLDBZIGSA-N	446.814	2.894	50	1	IFGF	
O=C1C(=O)[C@H](Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@H]1Cl	587327482	GRWFLRCNYXABKN-OACKDKIBSA-N	437.206	2.565	50	1	IFGF	
CCc1ccc(OCC(=O)NN)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1	587878674	OULZGHLYLRODBW-UHFFFAOYSA-N	434.323	2.635	50	1	IFGF	
Cc1cc([C@@]2(CCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1CC(N)=O	962713157	PLFRHLNRKSINHZ-LPHOPBHVSA-N	427.854	2.718	50	1	IFGF	
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5	8034983	AKXCFAYOTIEFOH-IELQQSEGSA-N	445.519	2.518	50	1	IFGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2OC(C)C)c(=O)nc1O	299814543	LURMHPSVRXKOQU-KYHPRHEASA-N	428.602	2.721	50	1	IFGF	
O=C(NNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(Nc2ccccn2)n1)c1ccncc1	103217330	RJJNKVDPDOLNHN-UHFFFAOYSA-N	444.415	2.814	50	1	IFGF	
COc1c[c-](/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(Br)c1=O	169688545	ONXQMGBPKGYDMD-CNHKJKLMSA-N	427.618	2.862	50	1	IFGF	
CC(C)C(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)c1ccccc1	38451681	RVASDFLCXJBTPT-UHFFFAOYSA-N	442.610	2.936	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@]3(C)CC[C@]2(C)CC1	85842662	LPPCHLAEVDUIIW-MASJHSKDSA-N	432.557	2.819	50	1	IFGF	in-man
COc1ccc(CN2C(=O)c3ccccc3[C@@H](C=NNC(=O)Cc3cccn3C)C2=O)cc1	1857611178	NYRVPFDZIMYNTF-JOCHJYFZSA-N	444.491	2.645	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C/CBr	105192881	VFOJBHJJEXIGII-IVGPNBDBSA-N	429.314	2.810	50	1	IFGF	
COc1ccc(/C=C(\C#N)C(=O)N/N=C(\C)c2c(O)c3ccc(O)cc3oc2=O)cc1OC	1857539853	OVCWKQWEMIYOPE-XUUPRLASSA-N	449.419	2.669	50	1	IFGF	
COC(=O)C(=O)[C@@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587414862	PDBPXVKBYAYJJP-MMACOIQUSA-N	445.265	2.844	50	1	IFGF	
CC=CCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@@]2(C)O[C@@H]1O	2356748813	SMQUWAPDCGSDCO-CYOIZWBSSA-N	425.953	2.919	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(O)c1	33833049	JGQMXVRWAOSIBE-JEADMVTOSA-N	430.497	2.682	50	1	IFGF	in-man
COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCCCCO)c2ncccc2c1	299825937	MBBFBSOMQQPCAJ-MRXNPFEDSA-N	446.552	2.500	50	1	IFGF	
OB(O)c1cc(OC(F)(F)F)cc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c1	962998339	VJKLBWLESPVTJZ-LJQANCHMSA-N	434.248	2.869	50	1	IFGF	
CC[C@H](Br)[C@@H]1C[C@H](O)[C@H](O)C[C@@H]2O[C@@H](C=C=CBr)C[C@H]2O1	2356434705	BKHFTVFNYNKPGW-XTMVIGSYSA-N	426.145	2.651	50	1	IFGF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N/N=C/c1ccc(O)c(O)c1O	1772638897	GKHGZICOXAICRM-QCXKMSLLSA-N	433.436	2.529	50	1	IFGF	
COC(=O)[C@]1(CBr)N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21	962930501	VWSYPPWIRPEKGR-QFBILLFUSA-N	436.258	2.547	50	1	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1	15203086	BEECYWPPXWUPIT-VFRZWKCYSA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@]21C	253636707	OWSGOSCRVVECHJ-LFKGFNEKSA-N	438.948	2.570	50	1	IFGF	
O=C(NN/C=C1\C=C(Cl)C=CC1=O)C(=O)Nc1ccccc1OC(F)(F)C(F)F	13123102	CPUPARKPQSIJKD-CMDGGOBGSA-N	433.745	2.628	50	3	IFGF	
COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc1	618010368	VRKVXIIMBHAYCN-KRWDZBQOSA-N	425.620	2.607	50	1	IFGF	
COC(=O)/C(Br)=C(/C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C=O	587875650	YWERXQBRCBCUGL-RVDMUPIBSA-N	433.085	2.676	50	1	IFGF	
Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	36287100	PFRCISHNAUSKDT-FPOWEOQSSA-N	440.776	2.812	50	1	IFGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1	587685867	RYNLEKDJVGNRHC-XYZCENFISA-N	432.673	2.583	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cccnc2Cl)C1	618008580	FSKJZQXMLNENAF-AWEZNQCLSA-N	431.027	2.646	50	1	IFGF	
CCCN1[C@@H](C)Cc2ccccc2[C@]1(c1cc(C(=O)NN)cc([N+](=O)[O-])c1)c1nccn1C	963245094	ZDUSDTNZOJDAGU-UPCLLVRISA-N	448.527	2.880	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118933312	OWSGOSCRVVECHJ-APRQOCPKSA-N	438.948	2.570	50	1	IFGF	
C=C[C@H](Cl)[C@@](C)(O)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O	138267085	CCKSAOGDLWJWSZ-NPMXOYFQSA-N	440.835	2.767	50	1	IFGF	
Cc1cc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1[C@H]1CCS(=O)(=O)C1	963126717	XEMMWYDGKDEDDF-YCRPNKLZSA-N	436.961	2.791	50	1	IFGF	
COc1ccc2oc(=O)c(C(=O)NCc3cn(CCC[P@@](=O)(F)OC)nn3)cc2c1	49762170	VFYVZWILXMPCLB-PMERELPUSA-N	438.352	2.522	50	1	IFGF	
COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C(/Br)C=O	587875616	YLFPDPJSDSULJI-OUKQBFOZSA-N	433.085	2.676	50	1	IFGF	
CCN(CC)[P@@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	73164603	HMQUQNNCKNDRSL-PVBSJLMOSA-N	434.821	2.559	50	1	IFGF	
C[C@]1(c2cc(B(O)O)ccc2Cl)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188345	MIRODPONJCFYFS-WBVHZDCISA-N	448.033	2.554	50	1	IFGF	
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](Cl)C(=O)[C@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C	13742775	JVBFUVZEMULQSD-NLWXGORPSA-N	425.953	2.574	50	1	IFGF	
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1	49070703	ZTNDBMKXTNNLIC-SFHVURJKSA-N	426.523	2.700	50	1	IFGF	
CC(=O)NNc1ccc2c(S(=O)(=O)N3CCc4c(Cl)cccc43)ccc(O)c2n1	1772586440	YZIGNIYSZCBPCC-UHFFFAOYSA-N	432.889	2.808	50	1	IFGF	
N#CC1=C(NC(=O)CN2CCOCC2)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccccc1	1772621942	GJHWKNMFMMYTTI-NRFANRHFSA-N	443.459	2.501	50	1	IFGF	
COc1ccc(Cl)cc1C#Cc1cn(Cc2cccc(C(=O)NN)c2)nc1[N+](=O)[O-]	587909650	XWTNIHDIQNUSBZ-UHFFFAOYSA-N	425.832	2.505	50	1	IFGF	
CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)O	253694944	WUASKKJXJMFQRK-QBVCYTKMSA-N	426.531	2.677	50	1	IFGF	
O=C(NCc1cn(CCN2C(=O)c3ccccc3C2=O)nn1)Nc1cccc(CCl)c1	96908811	QWHFSANEDJHAFM-UHFFFAOYSA-N	438.875	2.635	50	1	IFGF	
CCn1c(SCC(=O)NNC(=S)Nc2ccc(C)cc2)nc2ccccc2c1=O	1652782	HNOUEDWYNOHFER-UHFFFAOYSA-N	427.555	2.835	50	1	IFGF	
O=C1CC=C2[C@@H]3N1c1cc(O)c(O)cc1[C@@]31CCN3C/C(=C/CBr)[C@H]2C[C@H]31	195424204	VFOJBHJJEXIGII-QBDVNLMISA-N	429.314	2.810	50	1	IFGF	
Cc1cc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)ccc1O	618008205	UQRHXIVVSIPVAM-UHFFFAOYSA-N	425.620	2.612	50	1	IFGF	
CN1C(=O)C[C@](C(=O)c2ccc(NC(=O)CBr)cc2)(c2ccccc2)C1=O	169316440	OHSONHKUASUBHX-HXUWFJFHSA-N	429.270	2.529	50	1	IFGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(c4ncccn4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	66112274	NREUFAVGZCVGMJ-HYTIPZDESA-N	430.549	2.807	50	1	IFGF	
Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	3641402	PFRCISHNAUSKDT-QMADIJLISA-N	440.776	2.812	50	1	IFGF	
CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H](N)CCl)[nH]c4c3)cc2)CC1	587010989	POPDPHGTETXVRQ-GOSISDBHSA-N	426.952	2.801	50	1	IFGF	
Cc1c2c(nn1CC(=O)N/N=C/c1ccc(Cl)cc1)-c1ccccc1S(=O)(=O)N2C	45246046	MTNKMZCGOXAFJB-SSDVNMTOSA-N	443.916	2.801	50	1	IFGF	
Cc1ccnc(N/C(O)=N/S(=O)(=O)c2cc(NC(=O)[C@@H](C)Cl)ccc2Cl)n1	73276661	BMBOKGIXIRXKCP-SECBINFHSA-N	432.289	2.719	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C	253636703	OWSGOSCRVVECHJ-CEFDYNGUSA-N	438.948	2.570	50	1	IFGF	
CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)c2cccnc2Nc2ccc(F)cc2)cc1	28641201	GQLFHJMGTCHTLN-UHFFFAOYSA-N	443.460	2.546	50	1	IFGF	
NNC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(Br)o1	587890337	AYGREVKROHUQKD-UHFFFAOYSA-N	445.100	2.663	50	1	IFGF	
COc1ccc2c(c1OC)[C@H](c1ccc(OCc3ccccc3)cc1B(O)O)N(C)[C@H](C)C2	962637339	WNGZEODPJZBBCI-NSYGIPOTSA-N	447.340	2.928	50	1	IFGF	
COc1cccc(CC(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1	618007965	OVYCCLJMDCORHF-SFHVURJKSA-N	439.647	2.536	50	1	IFGF	
CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(C)c1csc(B(O)O)c1	961776234	LEXLANNTEUTTRE-JOCHJYFZSA-N	428.363	2.843	50	1	IFGF	
CC(=O)O[C@@H]1C[C@](O)(CCl)[C@@](O)(CCc2ccoc2)[C@@]23CCC[C@@](C)(C(=O)OC2)[C@@H]13	2356460266	ORMGZRKLHNVSQG-KTPWBMAYSA-N	440.920	2.598	50	1	IFGF	
COC(=O)NNC(=O)/C(=C/c1ccc(OC)c(F)c1)c1cc(OC)c(OC)c(OC)c1	49068897	NCJNWBFHFQHSKA-RIYZIHGNSA-N	434.420	2.788	50	1	IFGF	
O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(S(=O)(=O)O)o1	95808862	POCVLIPCMICUCW-DEDYPNTBSA-N	437.474	2.661	50	1	IFGF	
COC(=O)C=C[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@H](Cl)[C@H](O)[C@H](C)O1	2356794683	IAZNOVLVHPHMRR-TXTRRKPASA-N	446.165	2.780	50	1	IFGF	
C[C@@]1(O)[C@@H]2C[C@@H](C[C@H]1OC(=O)c1ccccc1)[C@](C)(CS(=O)(=O)c1ccccc1)OO2	100837601	YVSRABCWSUHPMD-VECFNVCKSA-N	446.521	2.936	50	1	IFGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1	587686774	XKXRKWQXJKAMCC-HUTHGQBESA-N	432.673	2.583	50	1	IFGF	
CCOc1ccc(-c2nn(-c3cc(C(=O)NN)ccn3)c(=O)c3ccccc23)cc1OCC	587669010	JOPSHKXEUORLKF-UHFFFAOYSA-N	445.479	2.849	50	1	IFGF	
C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(C)O	137761973	YVSRABCWSUHPMD-PNQZADEYSA-N	446.521	2.936	50	1	IFGF	
NNC(=O)c1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)on1	587883285	DVQQLKWGHKDRJR-UHFFFAOYSA-N	443.290	2.962	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C/CBr	263591307	VFOJBHJJEXIGII-UXIBRWFTSA-N	429.314	2.810	50	3	IFGF	
CC(=O)C1=C(O)/C(=C(\O)Nc2ccc(OC(=O)NCc3ccccc3)cc2)C(=O)OC1=O	169336612	GSRCLWJVFDIVKM-HTXNQAPBSA-N	438.392	2.641	50	1	IFGF	
COc1cc([C@H]2C(C#N)=C(N)Oc3cc4[nH]c(=N)[nH]c4cc32)cc(Br)c1OC	1857655005	UOEDDVHPJNUFQV-MRXNPFEDSA-N	442.273	2.973	50	1	IFGF	
CCC[C@@H](OC(C)=O)C1=C(Br)[C@](CI)(OC)OC1=O	13379614	JLDSXGUGUNGPOD-PRHODGIISA-N	447.063	2.702	50	1	IFGF	biogenic
CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)OC(CO)CO	102185347	XWDRGTGPJCBPGC-PKBBWAGBSA-N	426.550	2.832	50	1	IFGF	in-vitro
CCN(C)S(=O)(=O)c1ccc(/C(C)=N/NC(=O)c2cc(=O)oc3ccccc23)cc1	1857594020	BQSPPXOEFSTUPA-HYARGMPZSA-N	427.482	2.587	50	1	IFGF	
CCCCC[C@H](O)C=C[C@H]1[C@H](CC=CCCCC(=O)OC(CO)CO)[C@H]2C[C@H]1OO2	2356371236	XWDRGTGPJCBPGC-GLOJMNGXSA-N	426.550	2.832	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2c(F)cccc2F)C1	618007633	CPBQQOMOXNJFQY-AWEZNQCLSA-N	431.574	2.876	50	1	IFGF	
Cc1cc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)ccc1O	618008104	RNUSVNUJSTTWCL-KRWDZBQOSA-N	425.620	2.612	50	1	IFGF	
C/C(=N\NC(=O)c1cccnc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1	96169188	PPTIQILOZJVIHT-XODNFHPESA-N	441.430	2.506	50	1	IFGF	
C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2/C(=N\NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5	100058341	AKXCFAYOTIEFOH-SFJPEBABSA-N	445.519	2.518	50	1	IFGF	in-vitro
COc1cccc2c3c(cnc12)CCN[C@H]3c1cc(B(O)O)ccc1OCc1ccccc1	963060652	UIVVTINCJCLPJB-SANMLTNESA-N	440.308	2.737	50	1	IFGF	
CO[C@@H]1[C@@H](Cl)C(=O)c2c(O)ccc3c2[C@]12Oc1cccc4c1[C@](O3)(O2)[C@H](OC)CC4=O	2356334226	BZDPAFWDOHFSJX-RXPWAHTNSA-N	444.823	2.620	50	1	IFGF	
CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(C(=O)NN)cc2[nH]1	586934637	CNHBBHBTODPQNF-MRXNPFEDSA-N	447.586	2.556	50	1	IFGF	
COc1ccc(Cc2nc3ccccc3n2CC(=O)NNC=C2C=CC(=O)C=C2)cc1OC	13123071	ASMWSEVTGLBYHM-UHFFFAOYSA-N	444.491	2.844	50	3	IFGF	
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2/C(=N\NC(=O)c2ccccc2)CC[C@]3(O)[C@@H]1C5	100383367	AKXCFAYOTIEFOH-NYZHHDOQSA-N	445.519	2.518	50	1	IFGF	
CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@H]5[C@@H](OC[C@@H](O)[C@@H]5O)O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1	70454041	BEECYWPPXWUPIT-ZCKYJUNOSA-N	432.557	2.915	50	1	IFGF	biogenic,in-vitro
CCCc1c(O)ccc2c1O[C@@](C(=O)OC)([C@@H](Br)CC(=O)OC)CC2=O	587451254	JOALCMQGKPMTHE-KBXCAEBGSA-N	429.263	2.548	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@@H]25)CC3=CCBr	1857622814	VFOJBHJJEXIGII-PMVWVRLTSA-N	429.314	2.810	50	1	IFGF	
CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](N)CCl)[nH]c4c3)cc2)CC1	587010385	JRVWRZUBZJXBHG-LJQANCHMSA-N	440.979	2.844	50	1	IFGF	
C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@]2(C)O	195176118	YVSRABCWSUHPMD-KVCDMWGSSA-N	446.521	2.936	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]21C	253636498	MLTOGNYFVGWIRE-RLGUUKPPSA-N	436.932	2.778	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O	587810513	LBZMOKNIMQMVFB-CIAMYDHXSA-N	444.297	2.790	50	1	IFGF	
C=C1[C@@H](OC(C)=O)C[C@H]2C(C)(C)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O	166794503	TWAFDACXJSRHJO-PHVKILSFSA-N	425.953	2.958	50	1	IFGF	
Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccoc2)c1CSc1ccc(Cl)cc1	33516800	IXOKUZCXROCHEI-SCDVKCJHSA-N	444.864	2.535	50	1	IFGF	
CN1C(=O)C[C@H]2CN[C@@]3(C(C=O)=C(N)Oc4ccc(Br)cc43)c3cccc1c32	963039593	YUWQDMYUIVSSIT-MQJDWESPSA-N	440.297	2.508	50	1	IFGF	
CCOC(=O)/C(C#N)=C/C(C(=N)N1CCN(c2ccc(OC)cc2)CC1)=C(/O)OCC	103351220	AFKRLWWJBJLKSE-DRUPLWHXSA-N	428.489	2.614	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@H]1[C@@]2(C)CC[C@H](OC(C)=O)[C@@]1(C)COC(C)=O	2356545577	LKBMNVLYWWORRA-CYNOTCBQSA-N	434.529	2.635	50	1	IFGF	
CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccc(O)c(OC)c1	1660597	XYVJSKRTUWFYFF-RTBURBONSA-N	447.875	2.594	50	1	IFGF	
CCCCS(=O)(=O)C[C@@]1(C)OO[C@@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169330009	WUASKKJXJMFQRK-ORPNCOOFSA-N	426.531	2.677	50	1	IFGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)O2	587411006	WYLJUIWJBIRVHB-GOSISDBHSA-N	428.963	2.830	50	1	IFGF	
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)OCCN1C(=O)C=CC1=O	26643720	YOXSKANVYMVSQW-UHFFFAOYSA-N	427.328	2.762	50	1	IFGF	
CCOCCOC(=O)/C(C#N)=C(\NCc1cnc(OCC(F)(F)F)s1)SC	103207695	RZAMHTSZBVZPJY-VAWYXSNFSA-N	425.454	2.852	50	1	IFGF	
NNC(=O)c1ccc2nc(-c3ccccc3NS(=O)(=O)c3cc(F)ccc3F)[nH]c2c1	587140756	PNMDQBGAEAEERB-UHFFFAOYSA-N	443.435	2.912	50	1	IFGF	
O=C1C=CC(=CNNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)C=C1	13130728	KAYXPVQUTVVQMP-STZFKDTASA-N	430.420	2.566	50	3	IFGF	
CSC(=S)NNC(=O)COc1cccc2c(=O)n(-c3ccccc3C)c(C)nc12	82158190	XHYDKYMAXBPMGD-UHFFFAOYSA-N	428.539	2.650	50	1	IFGF	
COc1ccc2c(c1OC)[C@H](c1ccc(OCc3ccccc3)cc1B(O)O)N(C)[C@@H](C)C2	962637335	WNGZEODPJZBBCI-GKVSMKOHSA-N	447.340	2.928	50	1	IFGF	
C=CC(=C)CC[C@@]1(C)[C@@H](C)[C@@H](OC(C)=O)[C@@H](O)[C@]2(C=O)C(C=O)=C[C@@H](OC(C)=O)C[C@@H]21	38347186	UIUDXABYVIOINF-MBYKNUEJSA-N	432.513	2.720	50	1	IFGF	
COc1ccc(CC(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)cc1	618007956	OCXBZSFIXOQERN-GOSISDBHSA-N	439.647	2.536	50	1	IFGF	
C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	38148269	YVSRABCWSUHPMD-HURHVGRMSA-N	446.521	2.936	50	1	IFGF	
CS(=O)(=O)c1c(F)cccc1[C@@]1(CBr)NCCc2nc3ccccn3c21	962981869	GKDVGRGVEFOPMC-GOSISDBHSA-N	438.322	2.661	50	1	IFGF	
Cc1cc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1[C@@H]1CCS(=O)(=O)C1	963126715	XEMMWYDGKDEDDF-VFNWGFHPSA-N	436.961	2.791	50	1	IFGF	
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@]2(CCC[C@H]2Cl)N1	963663513	ATVAFVHSWCQKIU-GJPOJAMWSA-N	428.916	2.705	50	1	IFGF	
O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc32)[C@@H]1O	1772642065	PQSBCIUCTIMCPM-SDBHATRESA-N	448.669	2.874	50	1	IFGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1	587685171	OAJVSZOVAFMICI-XYZCENFISA-N	432.673	2.583	50	1	IFGF	
O=C(Cn1cnc2sc3c(c2c1=O)CCC3)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1	73195618	ZXHKPZBHWWQWFZ-QPSGOUHRSA-N	431.861	2.659	50	1	IFGF	
CCCc1c(O)ccc2c1O[C@@](C(=O)OC)([C@H](Br)CC(=O)OC)CC2=O	587451259	JOALCMQGKPMTHE-RDTXWAMCSA-N	429.263	2.548	50	1	IFGF	
CC[C@H](Cl)[C@@](C)(O)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O	2356789781	DSFTXUQYJABQKU-NPMXOYFQSA-N	442.851	2.991	50	1	IFGF	
O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C/c1ccc(O)c(O)c1	40898282	QNRZTTQYTCJTHJ-ZMOGYAJESA-N	446.492	2.983	50	1	IFGF	
CC(C)C[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)N(C#N)Cc1ccccc1	96924350	JNXXVGTTZUUGCE-FQEVSTJZSA-N	436.512	2.959	50	1	IFGF	
CC(=O)N[C@H](CCCN(Cc1ccccc1)C(=O)N(C)N=O)C(=O)NCc1ccccc1	17212477	QSHJJUVAJQXCIT-OAQYLSRUSA-N	439.516	2.823	50	1	IFGF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)OC[C@@H](O)CO	102185355	ITTYJJFCGKAYRE-ARRZLIFOSA-N	426.550	2.832	50	1	IFGF	
CC[C@@]1(c2ccc(B(O)O)c(C)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188397	MNYBIJRXYDDYMH-HKUYNNGSSA-N	441.642	2.600	50	1	IFGF	
CCN/C(SC)=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	1911575578	JPZNGIFTNGUUHM-OBGWFSINSA-N	435.531	2.738	50	1	IFGF	
Cc1ccnc2c1CCN[C@]2(CBr)c1cc(Cl)sc1S(N)(=O)=O	963068110	JSZWQYVDDCSATE-CQSZACIVSA-N	436.784	2.537	50	1	IFGF	
N#CCSc1nnc(Cc2csc(NC(=O)CCl)n2)n1NC(=O)c1ccccc1	28712136	XBLLSJVXKUOZNL-UHFFFAOYSA-N	447.933	2.502	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]21C	253636808	RACDDTQBAFEERP-RLGUUKPPSA-N	434.916	2.554	50	1	IFGF	
N#CC1=CC[C@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@H]3N2CCC3(F)F)C=C1	169301705	KOIPOHQQDPREGF-MTNDGHDBSA-N	429.442	2.837	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1	14681079	JGQMXVRWAOSIBE-MSWPAGHBSA-N	430.497	2.682	50	1	IFGF	endogenous,in-man
COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1	14681084	JGQMXVRWAOSIBE-ZLQYOWTRSA-N	430.497	2.682	50	1	IFGF	endogenous,in-man
CCCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NC)c1ccc(N)cc1)OCO2	27517542	JFVAMHSWAPWLQO-NJNXFGOHSA-N	426.473	2.565	50	1	IFGF	
Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O	169368844	PFRCISHNAUSKDT-VBJMYKCGSA-N	440.776	2.812	50	1	IFGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1ccccc1)B(O)O	195108606	MJUOMOYZOPPLIF-GOTSBHOMSA-N	432.329	2.724	50	1	IFGF	
C[C@@]1(c2ccc(F)c(B(O)O)c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21	963819929	YXTYATRCPLOQIC-VWLOTQADSA-N	430.288	2.975	50	1	IFGF	
CCCCC[C@H](O)C=C[C@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)OC(CO)CO	2356371237	XWDRGTGPJCBPGC-PQZYZXGRSA-N	426.550	2.832	50	1	IFGF	
NNC(=O)c1ccc2nc(CCc3nnc(-c4cc(F)ccc4Br)o3)[nH]c2c1	587156928	CINARMGRISSJAM-UHFFFAOYSA-N	445.252	2.903	50	1	IFGF	
CCn1cc(C(=O)N/N=C\c2ccc(C)cc2)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21	1911581016	AIWPUWRDEJZUIT-DICXZTSXSA-N	449.530	2.985	50	1	IFGF	
Cc1nc(C)c(COc2ccc(N3C[C@H](CNC(=O)CCl)OC3=O)cc2F)nc1C	1857747629	TVZFWMSFHYDDJC-HNNXBMFYSA-N	436.871	2.800	50	1	IFGF	
COc1cccc2cc(C(=O)N3CCC(C(=O)NCCSSCCN)CC3)oc12	618008075	XYDGHZOEKRXKMQ-UHFFFAOYSA-N	437.587	2.750	50	1	IFGF	
CC(=O)c1cccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1	618008684	JNUWYOOXLXTAPT-UHFFFAOYSA-N	437.631	2.801	50	1	IFGF	
CCc1cc(-c2ccccc2)cc(CC)[n+]1CC(=O)NNc1ccc(S(N)(=O)=O)cc1	13804302	HRFGUDJKKCLKQO-UHFFFAOYSA-O	439.561	2.557	50	1	IFGF	
NNC(=O)CCSSCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O	587660409	DAKNDSRSWUUOQW-UHFFFAOYSA-N	446.529	2.994	50	1	IFGF	
CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=C\CCCC(=O)OC[C@H](O)CO	102185351	ITTYJJFCGKAYRE-LGECDGEFSA-N	426.550	2.832	50	1	IFGF	
COc1ccccc1NS(=O)(=O)c1ccc2nc(C(C)(C)NC(=O)CCl)[nH]c2c1	587009546	KSDXDAXHTRDRLH-UHFFFAOYSA-N	436.921	2.962	50	1	IFGF	
Cc1c(NC(=O)/C(C#N)=C2\SCC(=O)N2c2ccccc2)c(=O)n(-c2ccccc2)n1C	40863345	OOEZJSGKGWCEFF-NKFKGCMQSA-N	445.504	2.938	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1	618007970	OYDVRESJRRZXHL-HNNXBMFYSA-N	431.574	2.876	50	1	IFGF	
COC(=O)C(=O)[C@@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587372392	ILPVNMINJCVJIE-UYAOXDASSA-N	432.270	2.944	50	1	IFGF	
COC(=O)/C(Br)=C(\C#CCNC(=O)Cc1ccc(Cl)cc1Cl)C=O	587875649	YWERXQBRCBCUGL-PTNGSMBKSA-N	433.085	2.676	50	1	IFGF	
C/C(NNC(=O)c1cccc(NN/C(C)=C2\C=C(O)C=CC2=O)c1)=C1/C=C(O)C=CC1=O	103915440	MNJBLWHZBIIMPC-IWGRKNQJSA-N	434.452	2.547	50	3	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)Cc2ccc(F)cc2F)CC1	618008088	RLGOVMRXDDJLHA-UHFFFAOYSA-N	445.601	2.805	50	1	IFGF	
C=CC[C@@H]1C(=O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@H]1O	2356501547	DRKBKMXGRPKDIP-QGUKFAFCSA-N	444.603	2.539	50	1	IFGF	
C/C(=N\NC(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1)c1c(O)c2ccc(O)cc2oc1=O	1857591746	DUZQWUQDULCVAM-CQFFDAEHSA-N	434.364	2.560	50	1	IFGF	
O=C(NNc1ccccc1)[C@@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1	27298812	IRLHGWCIIJMLRG-HNNXBMFYSA-N	428.297	2.816	50	1	IFGF	
CC[C@@]1(c2ccc(B(O)O)c(C)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188404	MNYBIJRXYDDYMH-MJGOQNOKSA-N	441.642	2.600	50	1	IFGF	
CCCN(CCC[C@@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O	5811497	MFPSFAAJUFMIGH-GOSISDBHSA-N	439.944	2.642	50	1	IFGF	
NNC(=O)c1ccc2nc(-c3cccc(S(=O)(=O)Nc4ccccc4F)c3)[nH]c2c1	587153970	HCFXJFVXGIONAT-UHFFFAOYSA-N	425.445	2.773	50	1	IFGF	
NCc1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1	963237769	UHTLBNKEXDFXCH-CTNGQTDRSA-N	426.314	2.931	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1	14681049	NQAHWJIWYRYXFP-VAWLUIFUSA-N	430.497	2.538	50	1	IFGF	endogenous,in-man
CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c1O	149795310	VPMULIRPRZPMDB-JFLMPSFJSA-N	437.519	2.623	50	1	IFGF	
CCN(CC)c1ccc(-c2nn(-c3cc(C(=O)NN)ccn3)c(=O)c3ccccc23)c(O)c1	587665181	ODPKLWLXSZGVOY-UHFFFAOYSA-N	444.495	2.603	50	1	IFGF	
COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(Cl)cc(C(=O)NN)n1	587861665	WNILPCTUOSUELH-UHFFFAOYSA-N	439.781	2.918	50	1	IFGF	
C#C/C=C\C[C@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@@H](OC(C)=O)[C@H](Cl)C[C@H]1OC(C)=O	140616476	MMMRXAMUEVDERG-ZHBKDHSVSA-N	428.909	2.926	50	1	IFGF	
Cc1cc([C@@]2(CCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1CC(N)=O	962713151	PLFRHLNRKSINHZ-APWZRJJASA-N	427.854	2.718	50	1	IFGF	
CS(=O)(=O)c1ccc([C@@]2(CBr)NCCc3c(C(=O)O)cccc32)c(F)c1	963123398	ORABJCLPSPYWHK-SFHVURJKSA-N	442.306	2.712	50	1	IFGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccnc(N)n2)N1	587673380	MKMXBEHZAKDUMN-VXJOIVPMSA-N	430.119	3.133	50	1	IFGF	
O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1	29565647	BFQFATKIIYMFLO-INIZCTEOSA-N	433.896	2.864	50	1	IFGF	
CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169330010	WUASKKJXJMFQRK-BBPUYGCGSA-N	426.531	2.677	50	1	IFGF	
COc1ccc(CN2C(=O)c3ccccc3[C@H](C=NNC(=O)Cc3cccn3C)C2=O)cc1	1857611179	NYRVPFDZIMYNTF-QFIPXVFZSA-N	444.491	2.645	50	1	IFGF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1ccc(OCc2ccccc2)cc1B(O)O	963642329	YHUQSNXZURCLFB-PUAOIOHZSA-N	433.313	2.586	50	1	IFGF	
COc1c(O)ccc(/C=N/NC(=O)c2ccc(OCCN(C)C)cc2)c1Br	1772625676	GEXYEFRFKZYTRZ-CIAFOILYSA-N	436.306	2.868	50	1	IFGF	
Cc1cc2nc3c(nc2cc1C)[C@]1(C(C#N)=C(N)N2CCNC2=C1[N+](=O)[O-])c1ccccc1-3	1772637205	DWSSZRKFQKPFIB-XMMPIXPASA-N	437.463	2.572	50	1	IFGF	
CC(C)C1=C2[C@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1	33970646	BEECYWPPXWUPIT-NEUBDHRGSA-N	432.557	2.915	50	1	IFGF	in-man
CCC(=O)NNC(=O)CSc1nc2ccc(Cl)cc2c(=O)n1Cc1ccccc1	299871271	YGRWOHHSJLTUJE-UHFFFAOYSA-N	430.917	2.748	50	1	IFGF	
Cc1ccc(O)c(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1	618008063	QSJJROANKAVBOH-UHFFFAOYSA-N	425.620	2.612	50	1	IFGF	
CCOc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(B(O)O)c1	962645749	RRMSGTLWEDBPJY-HFZDXXHNSA-N	428.341	2.601	50	1	IFGF	
C[C@]1(c2ccc(F)c(B(O)O)c2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21	963819928	YXTYATRCPLOQIC-RUZDIDTESA-N	430.288	2.975	50	1	IFGF	
CC[C@]1(c2ccc(B(O)O)c(C)c2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188405	MNYBIJRXYDDYMH-PKOBYXMFSA-N	441.642	2.600	50	1	IFGF	
COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1ccc(OCc2ccccc2)cc1B(O)O	963642325	YHUQSNXZURCLFB-CPJLOUKISA-N	433.313	2.586	50	1	IFGF	
C[C@@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962911166	YSOFWOKTNWJGLY-RDBACFOTSA-N	426.897	2.667	50	1	IFGF	
CC(C)Oc1cc(B(O)O)cc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1	962949085	BAEFRKLOYNPAIJ-NRFANRHFSA-N	449.278	2.913	50	1	IFGF	
CCN(CC)[P@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	73164607	HMQUQNNCKNDRSL-OOXSRYGESA-N	434.821	2.559	50	1	IFGF	
CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587545149	PYOHFLOPHQACSP-FYINFDKHSA-N	434.828	2.826	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@H]1c1cccc(O)c1	199898916	MMHWANDOZUYJEA-QZTJIDSGSA-N	443.847	2.941	50	1	IFGF	
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@]2(CCC[C@@H]2Cl)N1	963663515	ATVAFVHSWCQKIU-MXBUBSDBSA-N	428.916	2.705	50	1	IFGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)[C@@H](C2)C3=O	587449592	PRPVOTKGKVLSIG-LIRRHRJNSA-N	441.958	2.730	50	1	IFGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1	587685162	OAJVSZOVAFMICI-HUTHGQBESA-N	432.673	2.583	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@]3(C)CC[C@]2(C)CC1	85842658	LPPCHLAEVDUIIW-RVDCTIKVSA-N	432.557	2.819	50	1	IFGF	in-man
COc1cc2c(cc1OC)[C@@]13CC[N@+]4(CCl)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	253862583	GCEPQLWZBVGLQN-ULMOSPDJSA-N	443.951	2.821	50	1	IFGF	in-vitro
O=C1C[C@@H](C(=O)N/N=C/C2=C(Sc3nc4ccccc4s3)CCCC2)NC(=O)N1	214209202	ZOSSXPYNAPSGED-NPNVKNKFSA-N	429.527	2.917	50	1	IFGF	
O=C(O)c1cccc(Cn2c(Cl)c(/C=N\NC(=O)c3ccccc3O)sc2=O)c1	13142121	JNJKUGIHHNPJRB-NKVSQWTQSA-N	431.857	2.779	50	1	IFGF	
CC[C@H]1O[C@@H]2C[C@@H](C=C=CBr)O[C@@H]2C[C@@H](O)[C@H](O)C[C@@H]1Br	28965912	BYNNASQGMHJTHX-JFPGLQQHSA-N	426.145	2.651	50	1	IFGF	
Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1	100951907	NYXFBGCCCBVMCR-IYBDPMFKSA-N	435.571	2.602	50	1	IFGF	
Cc1cc([C@]2(CCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1CC(N)=O	962713949	PLFRHLNRKSINHZ-QFBILLFUSA-N	427.854	2.718	50	1	IFGF	
COc1ccc2c(c1OC)[C@@H](c1ccc(OCc3ccccc3)cc1B(O)O)N(C)[C@@H](C)C2	962637344	WNGZEODPJZBBCI-SSOJOUAXSA-N	447.340	2.928	50	1	IFGF	
COc1cc2ncnc(N3CCN(C(=O)Oc4ccc([N+](=O)[O-])cc4)CC3)c2cc1OC	43382046	BBZNQHDXQDIMEW-UHFFFAOYSA-N	439.428	2.876	50	1	IFGF	
CCCCN[P@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	73141918	LQQXNQBYDMXCHO-OOXSRYGESA-N	434.821	2.607	50	1	IFGF	
N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2n2nnnc12	299828853	JFTJIDLBLONTOH-NRFANRHFSA-N	434.463	2.977	50	1	IFGF	
C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCC[C@@H]1CCSS1)C(=O)O	103229797	HBJGCCWYUXDJJC-XKQJLSEDSA-N	440.587	2.723	50	1	IFGF	
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CC[C@]3(O)[C@H]1C5	38810982	AKXCFAYOTIEFOH-DMAKYGFCSA-N	445.519	2.518	50	1	IFGF	
CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)C1CCCCC1)B(O)O	195119780	HXCYUPUQQCACPR-GOTSBHOMSA-N	438.377	2.990	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1O	199898990	FKHXIWUAMOENOX-ZWKOTPCHSA-N	443.847	2.941	50	1	IFGF	
CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21	40918540	SOYOKDAJYCGEAL-AUTICDLYSA-N	444.952	2.685	50	1	IFGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(N)n2)N1	587674322	WAIVCRKDUCTMHP-VXJOIVPMSA-N	430.119	3.133	50	1	IFGF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]2CCCO[C@H]2C1(C)C	587240495	UVFYPMKVFOOMKN-IATAILRESA-N	429.521	2.721	50	1	IFGF	
NCCCC[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1	43067958	VEFORJVHNJUSMN-DHMAKMBKSA-N	449.599	2.920	50	1	IFGF	
CN1Cc2csc3c(C(=O)O)c(=O)c4cc(F)c(N5CCO[C@@H](CCl)C5)c1c4n23	169334962	ANXQOGFYSDINSY-JTQLQIEISA-N	437.880	2.745	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1	618008892	NPXAIDBVSLNQER-LJQANCHMSA-N	449.642	2.654	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4CC(C)(C)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1	14681081	JGQMXVRWAOSIBE-GILFWBMKSA-N	430.497	2.682	50	1	IFGF	endogenous,in-man
CN1CCc2c(Br)cccc2[C@@]1(CCl)c1c(O)nc(=O)n(C2CC2)c1N	963288437	AZJKADLCPXBJNB-SFHVURJKSA-N	439.741	2.599	50	1	IFGF	
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@]2(CCC[C@@H]2Cl)N1	963663514	ATVAFVHSWCQKIU-IHFIDZABSA-N	428.916	2.705	50	1	IFGF	
N#CC1=CC[C@@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3N2CCC3(F)F)C=C1	96940500	KOIPOHQQDPREGF-RFPBDILFSA-N	429.442	2.837	50	1	IFGF	
OB(O)c1cc(OC(F)(F)F)cc([C@H]2c3ccsc3CCN2Cc2cccnc2)c1	962998338	VJKLBWLESPVTJZ-IBGZPJMESA-N	434.248	2.869	50	1	IFGF	
Cc1cc2c(cc1C)[n+]([O-])c1cc(/C=N/NC(=O)NCCc3ccccc3)ccc1[n+]2[O-]	100897350	OUXDOKATAUOJCQ-CVKSISIWSA-N	429.480	2.752	50	1	IFGF	
COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587414864	PDBPXVKBYAYJJP-XWRIVVANSA-N	445.265	2.844	50	1	IFGF	
COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(C)(=O)=O)nc1)[C@@H](C2)C3=O	587451429	YAXNFGCFNVYUBH-SCLBCKFNSA-N	438.299	2.532	50	1	IFGF	
CCOc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c(B(O)O)c1	962645754	RRMSGTLWEDBPJY-QFQXNSOFSA-N	428.341	2.601	50	1	IFGF	
Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NNC(=O)c1ccc(CO[N+](=O)[O-])cc1)O2	28876838	ZTNMWTBCSLGLQB-QFIPXVFZSA-N	443.456	2.571	50	1	IFGF	
O=C(CCl)OCC1=CC(=O)[C@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	587325300	DKHLQOOUMFQKRH-UNMCSNQZSA-N	446.814	2.894	50	1	IFGF	
COc1ccc(CN([C@H](CC(C)C)C(=O)NN)S(=O)(=O)c2ccc(Cl)cc2)cc1	95554099	YSIJRHFSLBPELC-LJQANCHMSA-N	439.965	2.944	50	1	IFGF	
COC1=C2C(=C[C@H](OC)[C@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(OC)ccc12	27720153	PNMLEUQBYHVRLD-UQASEVPWSA-N	435.904	2.573	50	1	IFGF	
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C\c2cc(Br)ccc2OC)cc1	38792346	WLOHPFIRQKCIGH-JAKGRQKDSA-N	446.301	2.746	50	1	IFGF	
COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(OC)ccc12	27720148	PNMLEUQBYHVRLD-RRMPHLOHSA-N	435.904	2.573	50	1	IFGF	
N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H]1c1ccc(C#N)cc1	103202360	BAWBHYNSCFOUMI-SFHVURJKSA-N	433.859	2.661	50	1	IFGF	
Cc1ccnc2c1CCN[C@@]2(CBr)c1cc(Cl)sc1S(N)(=O)=O	963068105	JSZWQYVDDCSATE-AWEZNQCLSA-N	436.784	2.537	50	1	IFGF	
CS(=O)(=O)c1ccc([C@]2(CBr)NCCc3c(C(=O)O)cccc32)c(F)c1	963123395	ORABJCLPSPYWHK-GOSISDBHSA-N	442.306	2.712	50	1	IFGF	
Cc1ccc(-c2cs/c(=N/NC(=O)CSc3nnnn3C)n2-c2ccccc2)cc1	103241803	WQRAWOLJLVIYDE-LSDHQDQOSA-N	437.554	2.762	50	1	IFGF	
O=C(Cn1nc(Cc2cccs2)n(/N=C/c2ccccc2)c1=O)N/N=C/c1ccccc1	299833791	WNMISVFAQDEAEE-FEZYOMQXSA-N	444.520	2.730	50	1	IFGF	
COC(=O)C=C[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@H](Cl)[C@@H](O)[C@H](C)O1	2356794681	IAZNOVLVHPHMRR-PDRYNBFGSA-N	446.165	2.780	50	1	IFGF	
CO[C@@H]1[C@H](Cl)C(=O)c2c(O)ccc3c2[C@@]12Oc1cccc4c1[C@](O3)(O2)[C@H](OC)CC4=O	1772649576	BZDPAFWDOHFSJX-ZDAMRSHRSA-N	444.823	2.620	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@]3(C)CC[C@]2(C)CC1	85842671	LPPCHLAEVDUIIW-OODSELOZSA-N	432.557	2.819	50	1	IFGF	in-man
CCC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@H](OC(=O)CC)c1ccc([N+](=O)[O-])cc1	1857747519	MKEIIBSGKANDBN-IUODEOHRSA-N	435.260	2.831	50	1	IFGF	
COc1ccc(O)c(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)c1	98081883	FNZUCMHVEZRARM-WSDLNYQXSA-N	434.481	2.772	50	1	IFGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1	587685165	OAJVSZOVAFMICI-VVVCHXIZSA-N	432.673	2.583	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C	253636709	OWSGOSCRVVECHJ-MHYGVNHASA-N	438.948	2.570	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C\CBr	263591309	VFOJBHJJEXIGII-XNKQBJGNSA-N	429.314	2.810	50	3	IFGF	
O=C1C=C(CBr)C(=O)C(CCC2=CC(=O)C=C(CBr)C2=O)=C1	43692886	FKLTWNNPUGYMDH-UHFFFAOYSA-N	428.076	2.566	50	1	IFGF	
COC(=O)C[C@@H](Br)[C@@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	587498553	IFIRFRNQEODLMU-DNVCBOLYSA-N	425.275	2.769	50	1	IFGF	
COc1ccc(/C=N/NC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1	653728716	VCPHATGMUVKEHQ-WGOQTCKBSA-N	442.475	2.641	50	1	IFGF	
NNC(=O)c1cc(-c2cccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c2)[nH]n1	587882273	SACMGSFTXIUICK-UHFFFAOYSA-N	442.306	2.697	50	1	IFGF	
COC(=O)C1=CN(c2ccc(OC)cc2OC)C(N)=C(C#N)[C@H]1c1cccc([N+](=O)[O-])c1	95570009	BGAPFHUQNFKGME-HXUWFJFHSA-N	436.424	2.967	50	3	IFGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)O2	587411009	WYLJUIWJBIRVHB-SFHVURJKSA-N	428.963	2.830	50	1	IFGF	
CC(C)(C(=O)N[C@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1)c1ccccc1N	49877467	YGIWOTXYUGIVQV-YVORESIASA-N	437.308	2.886	50	1	IFGF	
C[C@]1(c2cc(B(O)O)ccc2Cl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188344	MIRODPONJCFYFS-RDJZCZTQSA-N	448.033	2.554	50	1	IFGF	
O=C(CCl)OCC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1	587326349	LDUIKGLVAFFISK-UNMCSNQZSA-N	446.814	2.894	50	1	IFGF	
COc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N/N=C/c2ccc(Cl)cc2)cc1	45388857	VOUFFAZMJOZZQT-ZDZUNBPVSA-N	425.876	2.563	50	1	IFGF	
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)CB(O)O)c1ccccc1	653730215	KITXHYIDDKXVSQ-ZEQRLZLVSA-N	444.340	2.618	50	1	IFGF	
CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(C(=O)NN)cc4[nH]3)CC2)cc1	586955870	XXHBMVBRZVMPMV-UHFFFAOYSA-N	441.557	2.858	50	1	IFGF	
COC(=O)C(=O)[C@@H](Br)[C@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587414865	PDBPXVKBYAYJJP-YFZFPPMRSA-N	445.265	2.844	50	1	IFGF	
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)c1ccc2ccccc2n1)B(O)O	195456073	VBSHLQHMGVSWJF-GOTSBHOMSA-N	447.344	2.509	50	1	IFGF	
CC(C=O)=CCCC(C)=CCOc1ccc([C@H](O)CNC(=O)C=CS(C)(=O)=O)cc1	2356674207	ZHYIPTBPSLKFJK-OAQYLSRUSA-N	435.542	2.645	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@@H]1c1cccc(O)c1	199898880	MMHWANDOZUYJEA-ROUUACIJSA-N	443.847	2.941	50	1	IFGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1	587682998	FGQGZWZZWHWDBG-XYZCENFISA-N	432.673	2.583	50	1	IFGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1	587686776	XKXRKWQXJKAMCC-VVVCHXIZSA-N	432.673	2.583	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc(Cl)ccc2O)CC1	618007751	HHNWWGYIBSUCPS-UHFFFAOYSA-N	446.038	2.957	50	1	IFGF	
CC(=O)O[C@@H]1C(COC(=O)c2ccccc2)=C[C@H](Cl)[C@H](O)[C@H]1OC(=O)c1ccccc1	2356519456	CAABTNRNYPEXCM-UWHLTILDSA-N	444.867	2.909	50	1	IFGF	
CC(=O)O[C@@H]1C[C@@](O)(CCl)[C@](O)(CCc2ccoc2)[C@]23CCC[C@](C)(C(=O)OC2)[C@H]13	238782019	ORMGZRKLHNVSQG-SZEHAOPLSA-N	440.920	2.598	50	1	IFGF	
COc1cc2c3c(c1)O[C@](CBr)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O	587415421	RYCTXGFJPYLUSY-YCRPNKLZSA-N	442.265	2.873	50	1	IFGF	
O=C1C=Cc2ccccc2/C1=C/NNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1	13119356	BFNHYCGWLXPXPV-PGMHBOJBSA-N	437.521	2.733	50	3	IFGF	
CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1	15203093	BEECYWPPXWUPIT-RSZJRCNASA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
Cc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1	72141185	IVHYRKLXXSRUEO-HXUWFJFHSA-N	430.464	2.860	50	1	IFGF	
Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)cc1	253638216	NYXFBGCCCBVMCR-WKILWMFISA-N	435.571	2.602	50	1	IFGF	
COc1ccc(NS(=O)(=O)c2ccc3nc(C(C)(C)NC(=O)CCl)[nH]c3c2)cc1	587009500	IOVVISJBVURITE-UHFFFAOYSA-N	436.921	2.962	50	1	IFGF	
CC[C@H](C)C(=O)O[C@@]12[C@H](O)[C@@H](C)[C@@]3(O)[C@@H](C=C(C=O)C[C@H]4C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C	1857600215	FHFSCIFWCUYTJV-LXXAOEIBSA-N	430.541	2.619	50	1	IFGF	
COc1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1	618009265	UTYIHRUJDWHMCV-UHFFFAOYSA-N	425.620	2.607	50	1	IFGF	
Cc1ccc(C[C@H](NC(=O)C[C@H](NC(=O)c2ccccc2)c2cccc(F)c2)B(O)O)cc1	195462204	SQLJKVLOJJKTOZ-GOTSBHOMSA-N	448.303	2.735	50	1	IFGF	
O=c1sc(Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)cn1Cc1ccc(F)cc1	170143799	SDADCKAQWPFYCP-UHFFFAOYSA-N	449.312	2.947	50	1	IFGF	
CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12	29131027	RCQZTJSCGDDOOB-KRWDZBQOSA-N	439.541	2.713	50	1	IFGF	
C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(C)O	169329364	YVSRABCWSUHPMD-SNVADZQDSA-N	446.521	2.936	50	1	IFGF	
CC(C)[C@H](NC(=O)c1ccc2c(c1)OCCO2)C(=O)N(C)N(C#N)CCc1ccccc1	96928210	OJJANJXRJIJLAK-QFIPXVFZSA-N	436.512	2.611	50	1	IFGF	
CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1	587545158	PYOHFLOPHQACSP-YWMUFLPLSA-N	434.828	2.826	50	1	IFGF	
CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(C)c1csc(B(O)O)c1	961776239	LEXLANNTEUTTRE-QFIPXVFZSA-N	428.363	2.843	50	1	IFGF	
NS(=O)(=O)c1cc([N+](=O)[O-])c(N(CCCCl)Cc2ccccc2)c([N+](=O)[O-])c1	58581771	BPFZQJMYCXCVAI-UHFFFAOYSA-N	428.854	2.786	50	1	IFGF	
NNC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3ccc(F)cc3)[nH]c2c1	587166836	BOCDUZHADAWSMH-UHFFFAOYSA-N	431.474	2.835	50	1	IFGF	
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1	587056745	UMKIBXMZQWYUIG-INIZCTEOSA-N	430.852	2.855	50	1	IFGF	
C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1nc2ccccc2[nH]1	618017395	JZNJQKOHWXJXRX-QAPCUYQASA-N	449.646	2.749	50	1	IFGF	
NCCSSCCNC(=O)C1CCN(C(=O)c2cc3cccc(O)c3cc2O)CC1	618007676	KWHWPFKBDMSENV-UHFFFAOYSA-N	449.598	2.560	50	1	IFGF	
C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(COC(=O)CCl)=CC2=O)N1	587686780	XKXRKWQXJKAMCC-XYZCENFISA-N	432.673	2.583	50	1	IFGF	
COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCCCCO)c2ncccc2c1	299825935	MBBFBSOMQQPCAJ-INIZCTEOSA-N	446.552	2.500	50	1	IFGF	
C#CC=CC[C@@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@H](OC(C)=O)[C@H](Cl)C[C@H]1OC(C)=O	2356664899	MMMRXAMUEVDERG-RDWCLUPISA-N	428.909	2.926	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]12C	2356545581	LKBMNVLYWWORRA-WBKCJFPFSA-N	434.529	2.635	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](OC(C)=O)[C@H]1C(C)(C)C=CC(=O)[C@]12COC(C)=O	2356625515	PAXFBCGUYYUOHL-JIFMNFQHSA-N	430.497	2.619	50	1	IFGF	
Cc1ccccc1C[C@H](NC(=O)C[C@@H](NC(=O)c1ccccc1)c1cccc(F)c1)B(O)O	195468666	KSNUEUMAKWNMMV-PKTZIBPZSA-N	448.303	2.735	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2c(F)cccc2F)C1	618007635	CPBQQOMOXNJFQY-CQSZACIVSA-N	431.574	2.876	50	1	IFGF	
COc1ccc(CCNC(=O)CC(=O)N/N=C\c2ccc(Br)cc2)cc1OC	33395071	KQQJDTNRKVWYFU-QRVIBDJDSA-N	448.317	2.665	50	1	IFGF	
O=C(NNc1nc(N2CCCCC2)nc(N2CCc3ccccc3C2)n1)c1ccncc1	58498642	MTACYVGUCYWXCR-UHFFFAOYSA-N	430.516	2.577	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C/CBr	104232803	VFOJBHJJEXIGII-SOFPKGJOSA-N	429.314	2.810	50	1	IFGF	
C[C@@]1(O)[C@H]2C[C@@H](C[C@H]1OC(=O)c1ccccc1)[C@](C)(CS(=O)(=O)c1ccccc1)OO2	38148271	YVSRABCWSUHPMD-GLFFXRKQSA-N	446.521	2.936	50	1	IFGF	
CC[C@@H]1O[C@@H]2C[C@H](C=C=CBr)O[C@@H]2C[C@H](O)[C@H](O)C[C@H]1Br	2356439749	BYNNASQGMHJTHX-JSWXLXQASA-N	426.145	2.651	50	1	IFGF	
CC(C)C1=C2[C@H]3CC=C(C=O)[C@@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1	15203089	BEECYWPPXWUPIT-MBQOCZDWSA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
COc1ccc(CC(=O)NNC=C2C=C(Br)C(=O)C(Br)=C2)cc1	13126084	NPQRMZCFVXFZHM-UHFFFAOYSA-N	442.107	2.883	50	3	IFGF	
O=C(CCl)OCC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)CO1	587326348	LDUIKGLVAFFISK-RBBKRZOGSA-N	446.814	2.894	50	1	IFGF	
C/C(=N\NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1)c1c(O)c2ccc(O)cc2oc1=O	1857559298	VQPGMDPHWLCGHM-FHFHDDFQSA-N	432.436	2.718	50	1	IFGF	
CCC(=O)Nc1cc(NC(=O)CC)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1	169320179	VWPKODGFAKFBFL-YVLHZVERSA-N	429.429	2.554	50	1	IFGF	
O=C(N/N=C/c1cc(O)c(O)cc1O)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1	473166097	DGXYGFFPAOQYMB-FOKLQQMPSA-N	432.392	2.990	50	1	IFGF	
O=C(NNc1ccccc1)[C@H]1CCC(=O)N1S(=O)(=O)c1ccc(Cl)c(Cl)c1	27298807	IRLHGWCIIJMLRG-OAHLLOKOSA-N	428.297	2.816	50	1	IFGF	
Cc1cc([C@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1[C@@H]1CCS(=O)(=O)C1	963126713	XEMMWYDGKDEDDF-QVKFZJNVSA-N	436.961	2.791	50	1	IFGF	
COc1ccc(CN2C(=O)C(=C(C#N)C#N)c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1	40916403	NTYVQLJOENRPJL-UHFFFAOYSA-N	448.504	2.827	50	1	IFGF	
Cc1ccc(C[C@H](NC(=O)C[C@@H](NC(=O)c2ccccc2)c2cccc(F)c2)B(O)O)cc1	195462199	SQLJKVLOJJKTOZ-PKTZIBPZSA-N	448.303	2.735	50	1	IFGF	
NNC(=O)c1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1	586954206	CNZNSVKOBHPRQD-UHFFFAOYSA-N	449.536	2.888	50	1	IFGF	
Cc1cccc(C[C@H](NC(=O)C[C@H](NC(=O)c2ccccc2)c2cccc(F)c2)B(O)O)c1	195464187	ITEXCPQJMJWMRN-GOTSBHOMSA-N	448.303	2.735	50	1	IFGF	
C/C(=N\NC(=O)/C(C#N)=C/c1ccccc1[N+](=O)[O-])c1c(O)c2ccc(O)cc2oc1=O	1857579320	TWIMVSZUQVQHGL-HDMAUQOBSA-N	434.364	2.560	50	1	IFGF	
COc1ccccc1NC(=O)CN1C(=O)/C(=N\NC(=O)c2ccccc2O)c2ccccc21	100511079	LWVLEVXXYWRCPA-ROMGYVFFSA-N	444.447	2.520	50	3	IFGF	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)NNC(=O)NOCc2ccccc2)cc1	84604350	HDSBXPRQLDFSBQ-INIZCTEOSA-N	427.505	2.665	50	1	IFGF	
COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1ccc(OCc2ccccc2)cc1B(O)O	963642326	YHUQSNXZURCLFB-IVCQMTBJSA-N	433.313	2.586	50	1	IFGF	
C[C@@]1(O)[C@@H]2C[C@@H](C[C@@H]1OC(=O)c1ccccc1)[C@@](C)(CS(=O)(=O)c1ccccc1)OO2	169329367	YVSRABCWSUHPMD-NCFYAPQQSA-N	446.521	2.936	50	1	IFGF	
C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169330462	YVSRABCWSUHPMD-FOZRXDQQSA-N	446.521	2.936	50	1	IFGF	
CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	58668889	WUASKKJXJMFQRK-ARXXEPJESA-N	426.531	2.677	50	1	IFGF	
COC(=O)C(=O)[C@@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587372315	ILPVNMINJCVJIE-QUCCMNQESA-N	432.270	2.944	50	1	IFGF	
CCOc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c(B(O)O)c1	962645756	RRMSGTLWEDBPJY-RLWLMLJZSA-N	428.341	2.601	50	1	IFGF	
NNC(=O)c1ccc2nc([C@@H]3C[C@@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586958264	HCIMLCWZPGTTLH-KPOBHBOGSA-N	439.541	2.861	50	1	IFGF	
N#CC1=C(NC(=O)CN2CCOCC2)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1cccs1	1772594347	WWGFILOKASAIFP-IBGZPJMESA-N	449.488	2.562	50	1	IFGF	
COc1ccc(C2=NN=C/C2=C\NNC(=O)c2cc(Br)ccc2O)c(OC)c1	13125703	UROVJVZYXGDEAE-ZHACJKMWSA-N	445.273	2.779	50	3	IFGF	
CN1C(=O)C(=C(C#N)C#N)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21	36093010	AOMIEFGRQXLEGT-KRWDZBQOSA-N	448.504	2.696	50	1	IFGF	
CN(C)CCSSCCNC(=O)CCNC(=O)c1cc(Cl)c(O)c(Cl)c1	618009209	IVQDWLDCMKLMRM-UHFFFAOYSA-N	440.418	2.878	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@@]12C	2356545580	LKBMNVLYWWORRA-MGIDJNSKSA-N	434.529	2.635	50	1	IFGF	
C=CC[C@@H]1C(=O)O[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1O	2356501545	DRKBKMXGRPKDIP-NYMACZPPSA-N	444.603	2.539	50	1	IFGF	
CC(C)(C)[Si](OC[C@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)O1)(c1ccccc1)c1ccccc1	170069493	IHZUQZWWKIYBME-XXBNENTESA-N	448.595	2.567	50	1	IFGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(C)(=O)=O)nc1)O2	587410700	WLAONRUIWOHUHN-KRWDZBQOSA-N	425.304	2.631	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21)C(C)=O	587810543	LBZMOKNIMQMVFB-YEVOMEFESA-N	444.297	2.790	50	1	IFGF	
N=C(CCl)NCCC[C@H](NC(=O)c1cccc2c1C(=O)NC2)c1nc2ccccc2[nH]1	1857759795	CCWHOFKDZGBSQR-KRWDZBQOSA-N	438.919	2.863	50	1	IFGF	
CO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@@](O3)(O2)[C@@H](OC)[C@H](Cl)C4=O	2356334224	BZDPAFWDOHFSJX-DQMLXFRHSA-N	444.823	2.620	50	1	IFGF	
COc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N/N=C/c2ccc(O)cc2)cc1	45339151	PONUHAWGFYWEBI-IBUSPFOHSA-N	433.464	2.598	50	1	IFGF	
O=C(CBr)NCCc1nc2c(Br)cnc(Br)c2[nH]1	586971497	SXMNORWROJSGTC-UHFFFAOYSA-N	440.921	2.537	50	1	IFGF	
Cc1cn([C@@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O	3641399	PFRCISHNAUSKDT-LTUMQYMTSA-N	440.776	2.812	50	1	IFGF	
CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1	73407851	OYMBDLNBTYXPKH-RBUKOAKNSA-N	446.419	2.934	50	1	IFGF	
O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)NNc1nncc2ccccc12	84617606	KQDCCQFHFYMMMN-UHFFFAOYSA-N	430.434	2.914	50	1	IFGF	
CC(C)C1=C2[C@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1	33970644	BEECYWPPXWUPIT-BPBQIVSESA-N	432.557	2.915	50	1	IFGF	in-man
C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(N)n2)N1	587673379	MKMXBEHZAKDUMN-GLEZIHRCSA-N	430.119	3.133	50	1	IFGF	
CCOc1cccc(-c2c(C(=O)N/N=C(/C)c3cccs3)nnn2-c2nonc2N)c1	15899665	ROAMDCMDKLXFDJ-NHDPSOOVSA-N	438.473	2.514	50	1	IFGF	
O=C(N/N=C/c1ccccc1O)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1	84710953	HIQVXGCTSUKWTD-CBFMJHRQSA-N	444.451	2.648	50	1	IFGF	
CC[C@@H](Cl)[C@](C)(O)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O	2356789779	DSFTXUQYJABQKU-CMJOXMDJSA-N	442.851	2.991	50	1	IFGF	
N[C@](CCCCB(O)O)(C(=O)O)C1CCN(CCc2ccc(Cl)cc2Cl)CC1	170188846	TZUNJQFRWWARNO-IBGZPJMESA-N	431.169	2.673	50	1	IFGF	
CC1=C2C(=NC(N)=C(C(=O)N/N=C/c3ccc(Cl)cc3)[C@H]2c2ccc(N(C)C)cc2)NN1	1857655797	ULXDJLMFXKAHBB-XDWZDTHNSA-N	449.946	2.604	50	1	IFGF	
O=C(CCl)OCC1=C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1	587326347	LDUIKGLVAFFISK-IRLDBZIGSA-N	446.814	2.894	50	1	IFGF	
COc1ccccc1CC(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1	618007680	DZSFRHRJUMIKBL-SFHVURJKSA-N	439.647	2.536	50	1	IFGF	
Cc1cccc2cc(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)c(Cl)nc12	98082766	RBHNDYFGZWJAAV-LSHDLFTRSA-N	442.884	2.865	50	1	IFGF	
C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(C)O	139512151	YVSRABCWSUHPMD-DOVTVYQYSA-N	446.521	2.936	50	1	IFGF	
CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N/N=C/c1ccc(O)c(O)c1O	1772638898	GKHGZICOXAICRM-QHBIDGPYSA-N	433.436	2.529	50	1	IFGF	
O=C(N/N=C/c1c(O)cc(O)cc1O)c1ccc(-c2nnc(-c3ccccc3O)o2)cc1	473169180	MIEBKONFBHEDLE-FOKLQQMPSA-N	432.392	2.990	50	1	IFGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1	587685168	OAJVSZOVAFMICI-XLFHBGCDSA-N	432.673	2.583	50	1	IFGF	
CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=N\NC(=O)c1cc[n+]([O-])cc1	653690544	YNSAYBPGVXGDMN-JMIUGGIZSA-N	431.246	2.504	50	1	IFGF	
CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169365059	WUASKKJXJMFQRK-FJWRRNOESA-N	426.531	2.677	50	1	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1	257384529	BEECYWPPXWUPIT-LQWMBRDESA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
CCC(C(=O)NN(C)C(=S)c1ccccc1)C(=O)NN(C)C(=S)c1ccccc1	34391686	QDLQYLIDZKARBJ-UHFFFAOYSA-N	428.583	2.690	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)Cc2cccc(F)c2)CC1	618009482	YWGQDFPHJNFDHM-UHFFFAOYSA-N	427.611	2.666	50	1	IFGF	
Cc1cn([C@H]2C=C[C@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	26675583	PFRCISHNAUSKDT-CBRWOYJUSA-N	440.776	2.812	50	1	IFGF	
CN(C)c1ccc(C(=O)Oc2cc(O/N=[N+](\[O-])N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	38141994	BTATUFBUHJDXDQ-NKFKGCMQSA-N	434.365	2.521	50	1	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@]2(C)CC1	257384530	BEECYWPPXWUPIT-RPCGWRCASA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
COc1ccc(B(O)O)c(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)c1	1772647375	DUHPSCWTWCJXFR-UHFFFAOYSA-N	432.163	2.833	50	1	IFGF	
NNC(=O)COc1ccc(Cl)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl	587880425	ZNGRFQWHJDAQFL-UHFFFAOYSA-N	440.714	2.726	50	1	IFGF	
N#CC1=C(N2C(=O)C(=O)N(c3ccccc3)C2=O)N(c2ccccc2)C(=O)N2CCC[C@H]12	96935418	FDEGDYLJIJLPFJ-GOSISDBHSA-N	427.420	2.822	50	1	IFGF	
CC1=C2C(=NC(N)=C(C(=O)N/N=C/c3ccc(Cl)cc3)[C@@H]2c2ccc(N(C)C)cc2)NN1	1857655796	ULXDJLMFXKAHBB-MTYDYXEWSA-N	449.946	2.604	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@H]1c1ccccc1O	199899049	FKHXIWUAMOENOX-QZTJIDSGSA-N	443.847	2.941	50	1	IFGF	
COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587414863	PDBPXVKBYAYJJP-RFVSGWPVSA-N	445.265	2.844	50	1	IFGF	
COc1ccc(/C=N/NC(=O)c2nnc(O)c3nc(-c4ccccc4)ncc23)cc1OC	1911575213	KCRGQXJAYYYGRL-BHGWPJFGSA-N	430.424	2.574	50	1	IFGF	
CCCCC[C@H](O)C=C[C@@H]1[C@H](CC=CCCCC(=O)OC(CO)CO)[C@H]2C[C@H]1OO2	2356371238	XWDRGTGPJCBPGC-XBJCXQGOSA-N	426.550	2.832	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@H]25)CC3=CCBr	1857622811	VFOJBHJJEXIGII-LFAYTRTRSA-N	429.314	2.810	50	1	IFGF	
CN1C(=O)C[C@@H]2CN[C@@](CBr)(CS(=O)(=O)c3ccccc3)c3cccc1c32	963032777	SQZZTPGZSAAZBO-VLIAUNLRSA-N	449.370	2.804	50	1	IFGF	
C=C1CC[C@H]2[C@](C)(COC(C)=O)C[C@H](Cl)C[C@]2(C)[C@H]1C[C@H](O)[C@H]1CC(=O)NC1=O	136384086	AFFPGKCUGKVLPW-QMPKQDNESA-N	425.953	2.959	50	1	IFGF	
NCCSSCCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1	618007590	GWPNKHYUUHATTQ-IBGZPJMESA-N	433.599	2.980	50	1	IFGF	
CCCc1nn([C@H]2CCOC2)c2c1[C@@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	1857648747	GSPBFTXGSHGZCB-SJCJKPOMSA-N	441.444	2.638	50	1	IFGF	
O=C(CNc1ccnc2cc(Cl)ccc12)NNC(=O)[C@H]1Cc2c([nH]c3ccccc23)CN1	1911571969	GVPYDUHHQRSINY-HXUWFJFHSA-N	448.914	2.643	50	1	IFGF	
N#CCC(=O)NN/C(=C\[C@@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21)c1ccccc1	963126632	WGDZMPLOWGYIQU-USUABIMMSA-N	444.413	2.864	50	1	IFGF	
COc1ccccc1CC(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1	618007721	GAGDETRCBYTPOA-UHFFFAOYSA-N	439.647	2.536	50	1	IFGF	
CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(OC(=O)NC3C=CC=CC=C3)cc2)C(=O)OC1=O	169316773	QYVIUSLLTLEIJF-AQTBWJFISA-N	436.420	2.996	50	1	IFGF	
COCCOc1nc(-c2ccc3c(c2)OCO3)n(-c2ccc(NC(=O)CCl)cc2)n1	653880701	ZWXOADXDWFBCKD-UHFFFAOYSA-N	430.848	2.866	50	1	IFGF	
CCCCS(=O)(=O)C[C@@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@]2(C)O	100836842	WUASKKJXJMFQRK-IAVZTARUSA-N	426.531	2.677	50	1	IFGF	
O=C(N/N=C/c1ccccc1O)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1	84710954	HIQVXGCTSUKWTD-ANDSAHIGSA-N	444.451	2.648	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)C=CC(=O)[C@@]21COC(C)=O	2356625512	PAXFBCGUYYUOHL-AEKYHLNDSA-N	430.497	2.619	50	1	IFGF	
COc1ccc2nc(N3CCOCC3)c([C@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1	72124312	ZFGZTQFAAMRCJW-FQEVSTJZSA-N	446.463	2.560	50	1	IFGF	
CN1C(=O)C[C@H]2CN[C@]3(C(C=O)=C(N)Oc4ccc(Br)cc43)c3cccc1c32	963039594	YUWQDMYUIVSSIT-WIUDPPPLSA-N	440.297	2.508	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1	14447184	LPPCHLAEVDUIIW-ZFNWDPKQSA-N	432.557	2.819	50	1	IFGF	endogenous,in-man
CC(C)Oc1cc(B(O)O)cc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1	962949092	BAEFRKLOYNPAIJ-OAQYLSRUSA-N	449.278	2.913	50	1	IFGF	
Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccncc3)c1)OCO2	40866984	GQWIYQZGIOJXGT-FMCGGJTJSA-N	439.449	2.650	50	1	IFGF	
CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1	64446911	HSYVHRKCXYKTRS-HUYLIWGRSA-N	435.392	2.623	50	1	IFGF	
CC(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1	618007980	PEUVVJLUXRBXES-KRWDZBQOSA-N	437.631	2.801	50	1	IFGF	
N#C/C(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)=C1/NN=C(N2CCOCC2)N1c1ccccc1	13122240	JFMLVYAWNCQTHI-DSEKYFARSA-N	444.451	2.625	50	3	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4CC(C)(C)C[C@]4(O)C=C(C=O)[C@]23O)c(O)c1	33833050	JGQMXVRWAOSIBE-LHZMDCJRSA-N	430.497	2.682	50	1	IFGF	in-man
CN1C(=O)C[C@@H]2CN[C@@]3(CC(C)(C)CC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963032813	TUVRJJMDCVHQHH-PWECECGKSA-N	440.507	2.767	50	1	IFGF	
COC(=S)O[C@H]1C[C@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C	195495705	AKHWATRAUQBPHS-YNEHKIRRSA-N	440.598	2.745	50	1	IFGF	
CCOc1ccccc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1	618007939	NWXWJOJQBLZCLL-KRWDZBQOSA-N	439.647	2.997	50	1	IFGF	
O=C(Nc1ccc(I)cc1C(=O)O)c1ccc2c(c1)C(=O)OC2=O	653780351	DXQBWMIOVSYYKC-UHFFFAOYSA-N	437.145	2.552	50	1	IFGF	
CN1C(=O)C[C@@H]2CN[C@]3(CC(C)(C)CC4=C3C(C#N)(C#N)C(C#N)=C(N)O4)c3cccc1c32	963032804	TUVRJJMDCVHQHH-DLUDVSRJSA-N	440.507	2.767	50	1	IFGF	
NCCC[C@H](N)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1	43010882	NKEQZARZBKUTAH-ILGMOKPNSA-N	435.572	2.530	50	1	IFGF	
CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(O)c(OC)c1	1660596	XYVJSKRTUWFYFF-OALUTQOASA-N	447.875	2.594	50	1	IFGF	
CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1	64453666	HSYVHRKCXYKTRS-XFWGSAIBSA-N	435.392	2.623	50	1	IFGF	
NNC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Cl	587881399	WXHXBWKAIPPLFP-UHFFFAOYSA-N	440.714	2.726	50	1	IFGF	
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	13561205	PFRCISHNAUSKDT-FSPIWQSVSA-N	440.776	2.812	50	1	IFGF	
CCOC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccc(N(CCCl)CCCl)cc1	73407853	OYMBDLNBTYXPKH-OALUTQOASA-N	446.419	2.934	50	1	IFGF	
N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccc(C#N)cc1	103202358	BAWBHYNSCFOUMI-GOSISDBHSA-N	433.859	2.661	50	1	IFGF	
COc1cccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1	618007881	LZZHOQXWQPIVOE-UHFFFAOYSA-N	425.620	2.607	50	1	IFGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)s1)[C@@H](C2)C3=O	587449581	PRPVOTKGKVLSIG-IFXJQAMLSA-N	441.958	2.730	50	1	IFGF	
Cc1cn([C@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O	13561207	PFRCISHNAUSKDT-QCRYSGHYSA-N	440.776	2.812	50	1	IFGF	
C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(Cl)c1F	103229000	NQPMIRYOBUUFBM-LPYMAVHISA-N	439.896	2.654	50	1	IFGF	
C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccccn3)CC2)c1O	28527961	XWFICURVCLTXKW-IMRQLAEWSA-N	430.512	2.658	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@]23O)CC(C)(C)[C@@H]4O)c(O)c1	238775530	NQAHWJIWYRYXFP-OCQSXXIKSA-N	430.497	2.538	50	1	IFGF	endogenous,in-man
O=C(CBr)NCC1=Cc2cc(Br)ccc2O[C@@]1(O)C(F)(F)F	473089021	QKEYUOJXAQSYQY-GFCCVEGCSA-N	445.029	2.987	50	1	IFGF	
COC(=O)Nc1nc2ccc(OCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc2s1	653780748	FEOZUWFLNMTRJC-DJKKODMXSA-N	429.414	2.912	50	1	IFGF	
CN(C)C(=O)c1ccc2c(c1)[C@@]1(CC(NNC(=O)c3ccncc3)=CC(C)(C)C1)NCC2	962932531	QOAPDQJKPRDNKT-VWLOTQADSA-N	433.556	2.763	50	1	IFGF	
CC(=O)O[C@@H]1C(COC(=O)c2ccccc2)=C[C@H](Cl)[C@@H](O)[C@H]1OC(=O)c1ccccc1	2356519455	CAABTNRNYPEXCM-DOIPELPJSA-N	444.867	2.909	50	1	IFGF	
CCC[C@@H](OC(C)=O)C1=C(Br)[C@@](CI)(OC)OC1=O	13379612	JLDSXGUGUNGPOD-PELKAZGASA-N	447.063	2.702	50	1	IFGF	biogenic
C#CC=CC[C@@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@H](OC(C)=O)[C@H](Cl)C[C@@H]1OC(C)=O	2356664897	MMMRXAMUEVDERG-CEGNMAFCSA-N	428.909	2.926	50	1	IFGF	
C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@]2(C)O	100835428	YVSRABCWSUHPMD-CVKACTFSSA-N	446.521	2.936	50	1	IFGF	
COC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	3825770	GITXTLWTFJXXKT-NHCUHLMSSA-N	426.421	2.958	50	1	IFGF	
CN1CCc2c(Br)cccc2[C@]1(CCl)c1c(O)nc(=O)n(C2CC2)c1N	963288436	AZJKADLCPXBJNB-GOSISDBHSA-N	439.741	2.599	50	1	IFGF	
COc1cccc(C=NNC(=O)[C@H](C)S[C@H](C)C(=O)NN=Cc2cccc(OC)c2)c1	4726580	RGOGHTJKUCHEDX-IYBDPMFKSA-N	442.541	2.814	50	3	IFGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1	618007948	NYNOVHHOCDMXFY-CQSZACIVSA-N	431.574	2.876	50	1	IFGF	
Cc1ccc(C)n1-c1cc(C(=O)N/N=C\c2ccc(S(=O)(=O)O)cc2)ccc1C(=O)O	219904508	ZTQDKEPBXRPMCR-UUYOSTAYSA-N	441.465	2.803	50	1	IFGF	
CC[C@H](Cl)[C@](C)(O)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O	2356789782	DSFTXUQYJABQKU-WNSKOXEYSA-N	442.851	2.991	50	1	IFGF	
Cc1ccnc(N/C(O)=N/S(=O)(=O)c2cc(NC(=O)[C@H](C)Cl)ccc2Cl)n1	73276664	BMBOKGIXIRXKCP-VIFPVBQESA-N	432.289	2.719	50	1	IFGF	
COC(=S)O[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C	195495697	AKHWATRAUQBPHS-XQQFMLRXSA-N	440.598	2.745	50	1	IFGF	
Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)CCl)nc1-2	587012206	WLJSARQRWJKWBF-CYBMUJFWSA-N	437.870	2.724	50	1	IFGF	
CCCN(CCC[C@H](NC(C)=O)C(=O)NCc1ccccc1)C(=O)N(CCCl)N=O	17213371	MFPSFAAJUFMIGH-SFHVURJKSA-N	439.944	2.642	50	1	IFGF	
CCOC(=O)N(CN1[C@@H]2CC[C@@H]1[C@@H](c1cccs1)[C@@H](C(=O)OC)C2)NC(=O)OC	169341561	UMDJDEMPIRXUII-CTASWTNQSA-N	425.507	2.545	50	1	IFGF	
CC[C@@H](Cl)[C@@](C)(O)c1cc(=O)c2c(CO)cc3c(c2o1)C(=O)c1c(O)cccc1C3=O	2356789780	DSFTXUQYJABQKU-IQMFZBJNSA-N	442.851	2.991	50	1	IFGF	
N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccs1	49070704	ZTNDBMKXTNNLIC-GOSISDBHSA-N	426.523	2.700	50	1	IFGF	
N#CC1=C(NC(=O)CN2CCOCC2)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccccc1	1772621944	GJHWKNMFMMYTTI-OAQYLSRUSA-N	443.459	2.501	50	1	IFGF	
C=CC[C@@H]1C(=O)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@H]1O	2356501544	DRKBKMXGRPKDIP-MZBJOSPHSA-N	444.603	2.539	50	1	IFGF	
COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	587498555	IFIRFRNQEODLMU-HNAYVOBHSA-N	425.275	2.769	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)CC3=CCBr	1857622813	VFOJBHJJEXIGII-ODHPHVRJSA-N	429.314	2.810	50	1	IFGF	
OB(O)c1cc(OC(F)(F)F)ccc1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21	961617774	WCWKSKAYCHPXCZ-INIZCTEOSA-N	442.040	2.795	50	1	IFGF	
Cc1ccccc1N(CC(=O)N/N=C\c1cc(Br)c(C)o1)S(C)(=O)=O	13151710	XYIQTYNJHFDTPY-NVMNQCDNSA-N	428.308	2.575	50	1	IFGF	
O=C(CCl)NC[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962980402	UNKCJESFNQHHTL-IFXJQAMLSA-N	429.250	2.816	50	1	IFGF	
CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(O)c(OC)c1	1660595	XYVJSKRTUWFYFF-MOPGFXCFSA-N	447.875	2.594	50	1	IFGF	
CCCCN[P@@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-]	73141915	LQQXNQBYDMXCHO-PVBSJLMOSA-N	434.821	2.607	50	1	IFGF	
CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@H](Br)CC(=O)OC)CC2=O	587451257	JOALCMQGKPMTHE-KDOFPFPSSA-N	429.263	2.548	50	1	IFGF	
NCc1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)cc1	963237772	UHTLBNKEXDFXCH-TZIWHRDSSA-N	426.314	2.931	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@H]1[C@@]2(C)CC[C@@H](OC(C)=O)[C@@]1(C)COC(C)=O	2356545579	LKBMNVLYWWORRA-HQJGMUBISA-N	434.529	2.635	50	1	IFGF	
CC(=O)O[C@@H]1C[C@](O)(CCl)[C@](O)(CCc2ccoc2)[C@@]23CCC[C@@](C)(C(=O)OC2)[C@@H]13	2356460268	ORMGZRKLHNVSQG-ZKXGSZBFSA-N	440.920	2.598	50	1	IFGF	
C#CC=CC[C@@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@H](OC(C)=O)[C@@H](Cl)C[C@H]1OC(C)=O	2356664900	MMMRXAMUEVDERG-ZWJSTQBLSA-N	428.909	2.926	50	1	IFGF	
COc1cc(/C=N\NC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)ccc1O	68723610	CVJAEQNQXXNCHG-ZBKNUEDVSA-N	433.808	2.873	50	1	IFGF	
CC(C)(C)[Si](OC[C@@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O1)(c1ccccc1)c1ccccc1	170069495	IHZUQZWWKIYBME-WMZHIEFXSA-N	448.595	2.567	50	1	IFGF	
COC(=O)/C(C#CCNC(=O)Cc1ccc(Cl)cc1Cl)=C(\Br)C=O	587875617	YLFPDPJSDSULJI-SEYXRHQNSA-N	433.085	2.676	50	1	IFGF	
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1	587056747	UMKIBXMZQWYUIG-MRXNPFEDSA-N	430.852	2.855	50	1	IFGF	
O=C(N/N=C/c1ccccc1O)C1=C(O)c2ccccc2S(=O)(=O)N1Cc1ccccc1	1857633599	UVAGCWYYXBWTML-ZVHZXABRSA-N	449.488	2.974	50	1	IFGF	
COc1cccc(CC(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1	618007964	OVYCCLJMDCORHF-GOSISDBHSA-N	439.647	2.536	50	1	IFGF	
CO[C@@H]1[C@H](Cl)C(=O)c2c(O)ccc3c2[C@]12Oc1cccc4c1[C@](O3)(O2)[C@H](OC)CC4=O	2356334225	BZDPAFWDOHFSJX-PIFKTPJGSA-N	444.823	2.620	50	1	IFGF	
COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)Oc4cc(C)oc(=O)c43)cc2c1	72124311	ZFGZTQFAAMRCJW-HXUWFJFHSA-N	446.463	2.560	50	1	IFGF	
CC(=O)c1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1	618007753	HIIRDEAGKGGVIE-UHFFFAOYSA-N	437.631	2.801	50	1	IFGF	
CC[C@H](C)[C@H](NC(=O)c1cccc(Cn2ccnc2)c1)C(=O)NNC(=O)OC(C)(C)C	103229353	DSBZXPLUAJWHLW-YJBOKZPZSA-N	429.521	2.632	50	1	IFGF	
C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCN(c3ccccn3)CC2)c1O	103242095	XWFICURVCLTXKW-OVVQPSECSA-N	430.512	2.658	50	1	IFGF	
C[C@@]1(c2cc(B(O)O)ccc2Cl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188337	MIRODPONJCFYFS-DOTOQJQBSA-N	448.033	2.554	50	1	IFGF	
C[C@@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962911171	YSOFWOKTNWJGLY-XTDINYQCSA-N	426.897	2.667	50	1	IFGF	
C/C=C/CCCCCC/C=C\C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O	238766259	SMQUWAPDCGSDCO-LAAFCLEBSA-N	425.953	2.919	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C\CBr	105192876	VFOJBHJJEXIGII-UCQMDYSTSA-N	429.314	2.810	50	1	IFGF	
O=C(CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1)N/N=C/c1cc(F)ccc1O	142790845	UOFGKMNPVJYVBX-RPPGKUMJSA-N	438.425	2.818	50	1	IFGF	
COC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	28226883	GITXTLWTFJXXKT-LEWJYISDSA-N	426.421	2.958	50	1	IFGF	
Cc1ccc(OCC(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc1	618008501	HRFUGIZZCWMLAJ-SFHVURJKSA-N	439.647	2.672	50	1	IFGF	
COc1ccc2oc(=O)c(C(=O)NCc3cn(CCC[P@](=O)(F)OC)nn3)cc2c1	49762167	VFYVZWILXMPCLB-SSEXGKCCSA-N	438.352	2.522	50	1	IFGF	
CC[C@]1(c2ccc(B(O)O)c(C)c2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188402	MNYBIJRXYDDYMH-IEBWSBKVSA-N	441.642	2.600	50	1	IFGF	
C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(COC(=O)CCl)=CC2=O)N1	587685863	RYNLEKDJVGNRHC-HUTHGQBESA-N	432.673	2.583	50	1	IFGF	
CCOC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1	73407845	OYMBDLNBTYXPKH-MOPGFXCFSA-N	446.419	2.934	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c(Cl)c2)C1	618010148	QIECNGYVZKBQJU-HNNXBMFYSA-N	446.038	2.957	50	1	IFGF	
O=C1CC=C2[C@@H]3N1c1cc(O)c(O)cc1[C@@]31CCN3C/C(=C\CBr)[C@H]2C[C@H]31	195424198	VFOJBHJJEXIGII-AJZOYTCQSA-N	429.314	2.810	50	1	IFGF	
CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3c2CCCC3)nnc1SCC#N	72175541	YOOLJWCJXSFKSE-UHFFFAOYSA-N	438.966	2.692	50	1	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@H](OC[C@@H](O)[C@H]5O)O[C@@H]4[C@]3(C)CC[C@]2(C)CC1	33970643	BEECYWPPXWUPIT-VJNNISDNSA-N	432.557	2.915	50	1	IFGF	in-man
COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(OC)ccc12	27720159	PNMLEUQBYHVRLD-KLHJMIIUSA-N	435.904	2.573	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](OC(C)=O)[C@@H]1C(C)(C)C=CC(=O)[C@@]21COC(C)=O	238736385	PAXFBCGUYYUOHL-VCFZDYBRSA-N	430.497	2.619	50	1	IFGF	
Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c2)cc1	586931128	LZAJCJQOIGJSFF-UHFFFAOYSA-N	435.509	2.967	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@H]4O)[C@@]3(C)CC[C@]2(C)CC1	85842666	LPPCHLAEVDUIIW-GOITXTCJSA-N	432.557	2.819	50	1	IFGF	in-man
CS(=O)(=O)Nc1ccc(CCC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)cc1	45354350	NBJDHGPCOSRKPB-UHFFFAOYSA-N	430.313	2.759	50	1	IFGF	
COc1cc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(F)cc1O	963549105	IXGAMOCVJBRVFK-DJJJIMSYSA-N	440.265	2.791	50	1	IFGF	
COC(=O)C=C[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@H](Cl)[C@H](O)[C@@H](C)O1	2356794678	IAZNOVLVHPHMRR-CGVQCGSASA-N	446.165	2.780	50	1	IFGF	
CCCCS(=O)(=O)C[C@@]1(C)OO[C@@H]2C[C@@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169330005	WUASKKJXJMFQRK-QOLKULSZSA-N	426.531	2.677	50	1	IFGF	
COC(=O)C[C@H](Br)[C@]1(C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3	587498556	IFIRFRNQEODLMU-KXBFYZLASA-N	425.275	2.769	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C	253636712	OWSGOSCRVVECHJ-MRXIIVIPSA-N	438.948	2.570	50	1	IFGF	
O=C(CSc1nnc(NC(=O)CCCl)s1)Nc1ccc(Br)cn1	96908516	YPANNXUZGRPUAX-UHFFFAOYSA-N	436.744	2.994	50	1	IFGF	
COC(=O)C(=O)[C@H](Br)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587372312	ILPVNMINJCVJIE-ICSRJNTNSA-N	432.270	2.944	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O	587810545	LBZMOKNIMQMVFB-ZQELIYSOSA-N	444.297	2.790	50	1	IFGF	
COc1cccc(/C=N\NC(=O)[C@@H](C)S[C@H](C)C(=O)N/N=C/c2cccc(OC)c2)c1	33838148	RGOGHTJKUCHEDX-KXAMNNOYSA-N	442.541	2.814	50	1	IFGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCNCCCCN)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	49781059	DQMMATPHXXPERF-XOBYLBSTSA-N	439.641	2.935	50	1	IFGF	
Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccc(C#N)cc2)n1-c1ccccc1	103241797	MJTSTUKTOVTHEK-YYADALCUSA-N	447.549	2.930	50	1	IFGF	
NNC(=O)c1ccc2[nH]c(-c3cc(Br)cn(Cc4ccccc4)c3=O)nc2c1	587006022	FMDJXYCAEQTPEH-UHFFFAOYSA-N	438.285	2.806	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1	618009268	UXJPNABOGXAPCI-INIZCTEOSA-N	443.610	2.502	50	1	IFGF	
COC1=C/C(=C/NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C=C(Br)C1=O	13124066	FTVOWCXGHIMIJC-BQYQJAHWSA-N	428.626	2.758	50	3	IFGF	
Cc1ccc(O)c(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1	618007739	HAPUZVIXNNIBLG-MRXNPFEDSA-N	425.620	2.612	50	1	IFGF	
COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCSSCCC(=O)NN	587870051	UCNMXQQHXTVQCT-UHFFFAOYSA-N	449.480	2.764	50	1	IFGF	
NNC(=O)c1cc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)[nH]n1	587883815	ZCJTWDHSVOKXHB-UHFFFAOYSA-N	442.306	2.697	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1	618009364	NWMWPPFHUZAUPX-ZDUSSCGKSA-N	447.573	2.582	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@@]2(C)CC[C@H](OC(C)=O)[C@@]1(C)COC(C)=O	66258617	LKBMNVLYWWORRA-QLKQUVKYSA-N	434.529	2.635	50	1	IFGF	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(OC(=O)N2CCOCC2)cc1	3014097	VFRCKVKSFAWEDR-LJQANCHMSA-N	445.431	2.842	50	3	IFGF	
COc1cccc(/C=C(\C#N)C(=O)NCCCNC(=O)/C(C#N)=C/c2cccc(OC)c2)c1	13676704	IXHKPBXHBVDCBO-ZIOPAAQOSA-N	444.491	2.840	50	1	IFGF	
COc1cccc(/C=N\NC(=O)[C@H](C)S[C@H](C)C(=O)N/N=C/c2cccc(OC)c2)c1	31637725	RGOGHTJKUCHEDX-NEEYENBXSA-N	442.541	2.814	50	1	IFGF	
COc1ccccc1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1	618008602	HHFSKVGXGFWCCC-INIZCTEOSA-N	425.620	2.607	50	1	IFGF	
COc1cccc(/C=N\NC(=O)[C@H](C)S[C@H](C)C(=O)N/N=C\c2cccc(OC)c2)c1	31637721	RGOGHTJKUCHEDX-SXTXAOLZSA-N	442.541	2.814	50	1	IFGF	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCl)OCO3	13740291	FGIXZILUSHAOJP-QFIPXVFZSA-N	440.839	2.547	50	1	IFGF	
CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21	40918542	SOYOKDAJYCGEAL-HECYVUSRSA-N	444.952	2.685	50	1	IFGF	
O=C(NNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1	2634790	XWUZRWNWSMDJLW-UHFFFAOYSA-N	446.466	2.532	50	3	IFGF	
Cc1cn([C@@H]2C=C[C@@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	26675586	PFRCISHNAUSKDT-UOKVFSQKSA-N	440.776	2.812	50	1	IFGF	
O=C1C=CC(=CNNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C=C1	22919793	CTWAPQVTKLJBCB-UHFFFAOYSA-N	442.563	2.984	50	3	IFGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(COC(COC(=O)CCl)=CC2=O)N1	587685865	RYNLEKDJVGNRHC-XLFHBGCDSA-N	432.673	2.583	50	1	IFGF	
COc1cc2c(cc1OC)[C@@]13CC[N+]4(CCl)CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@@H]34	27518201	GCEPQLWZBVGLQN-CQIPDZJVSA-N	443.951	2.821	50	1	IFGF	in-vitro
C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@]12CO[C@@H](CC1=O)C(C)(C)[C@H]2[C@H](OC(=O)CCCl)C3=O	101084946	WMMOHCKIPARNJK-JUPCNJSWSA-N	434.916	2.652	50	1	IFGF	
N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H]1c1cccc(C#N)c1	103202356	HYENOPRWEZNNRP-SFHVURJKSA-N	433.859	2.661	50	1	IFGF	
CCC[C@@H](C(=O)NN(CC(C)C)C(N)=O)N1CC[C@@H](NCCCC2CCCCC2)C1=O	26253111	JVFHBQAGBRFHCR-UXHICEINSA-N	437.629	2.774	50	1	IFGF	
COc1ccc(N2C(=O)/C(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)[C@H](Cl)C2=O)cc1	169686811	ALEMGGQPIJYXEX-YDSCJXCKSA-N	438.871	2.746	50	1	IFGF	
C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](OC(C)=O)[C@@H]1C(C)(C)C=CC(=O)[C@]21COC(C)=O	2356625514	PAXFBCGUYYUOHL-GSTVIDKTSA-N	430.497	2.619	50	1	IFGF	
CCn1c(SCC(=O)NNC(=S)Nc2ccc(F)cc2)nc2ccccc2c1=O	1652781	ASUVCVCDKFYQLY-UHFFFAOYSA-N	431.518	2.665	50	1	IFGF	
COc1cccc(/C=N/NC(=O)[C@H](C)S[C@H](C)C(=O)N/N=C/c2cccc(OC)c2)c1	17314955	RGOGHTJKUCHEDX-ZMTKBKFLSA-N	442.541	2.814	50	1	IFGF	
N#CC(C#N)=C1C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21	36093009	QPUCXRHTRZYTHM-INIZCTEOSA-N	434.477	2.672	50	1	IFGF	
CC[C@@H]1O[C@@H]2C[C@H](C=C=CBr)O[C@@H]2C[C@H](O)[C@@H](O)C[C@H]1Br	2356439751	BYNNASQGMHJTHX-USGZGZLHSA-N	426.145	2.651	50	1	IFGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(COC(=O)CCl)OCC2=O)N1	587682994	FGQGZWZZWHWDBG-XLFHBGCDSA-N	432.673	2.583	50	1	IFGF	
COCCN1C(=O)CC[C@H](c2nc3ccc(C(=O)NN)cc3[nH]2)[C@H]1c1ccccc1Cl	587062227	GECYTGIPMFIFIR-MGPUTAFESA-N	441.919	2.914	50	1	IFGF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C	587240497	UVFYPMKVFOOMKN-XNVILDLWSA-N	429.521	2.721	50	1	IFGF	
C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1nnc(C2CC2)s1	618016905	CCUSASIUXSODAC-OCCSQVGLSA-N	443.664	2.924	50	1	IFGF	
O=C1C(=O)[C@H](Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)[C@@H]1Cl	587327486	GRWFLRCNYXABKN-ZLFYYGENSA-N	437.206	2.565	50	1	IFGF	
Cc1ccc2cc(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)c(Cl)nc2c1	98082555	UOTQVLXTPLCAIU-LSHDLFTRSA-N	442.884	2.865	50	1	IFGF	
C[C@@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	38148270	YVSRABCWSUHPMD-CPZBYWHISA-N	446.521	2.936	50	1	IFGF	
N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1cccc(C#N)c1	103202352	HYENOPRWEZNNRP-GOSISDBHSA-N	433.859	2.661	50	1	IFGF	
CC(C)(C)[Si](OC[C@@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)O1)(c1ccccc1)c1ccccc1	170069490	IHZUQZWWKIYBME-CVDCTZTESA-N	448.595	2.567	50	1	IFGF	
CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cc(C(=O)NN)cc([N+](=O)[O-])c1)c1nccn1C	963245095	ZDUSDTNZOJDAGU-VOIUYBSRSA-N	448.527	2.880	50	1	IFGF	
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OC/C(O)=C(/C#N)C(C)=N)c1	101929957	OOJGFVBMTOODKS-KELJZKTQSA-N	448.545	2.849	50	1	IFGF	
COc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1	618008336	YNRMEQGWEJXTAR-QGZVFWFLSA-N	425.620	2.607	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1	618007646	DDEAEDQPKBVMKK-AWEZNQCLSA-N	431.574	2.876	50	1	IFGF	
O=C(CCl)NC[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962980407	UNKCJESFNQHHTL-LIRRHRJNSA-N	429.250	2.816	50	1	IFGF	
C#CC=CC[C@@H]1O[C@H]([C@H](CC)OC(C)=O)C[C@H](OC(C)=O)[C@@H](Cl)C[C@@H]1OC(C)=O	2356664898	MMMRXAMUEVDERG-PXQJOHHUSA-N	428.909	2.926	50	1	IFGF	
O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccccc1	13146236	ODDAFAJMHZDDQA-LWYUSKRHSA-N	435.318	2.725	50	1	IFGF	
CN1C(=O)C[C@@](C(=O)c2ccc(NC(=O)CBr)cc2)(c2ccccc2)C1=O	169316439	OHSONHKUASUBHX-FQEVSTJZSA-N	429.270	2.529	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@]21C	253636812	RACDDTQBAFEERP-RZVHFEMPSA-N	434.916	2.554	50	1	IFGF	
CC=CCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@]2(C)O[C@@H]1O	2356748816	SMQUWAPDCGSDCO-VDWMVFLBSA-N	425.953	2.919	50	1	IFGF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H]2OC(C)C)c(=O)nc1O	299814542	LURMHPSVRXKOQU-HPFXQQBRSA-N	428.602	2.721	50	1	IFGF	
C/C(NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)=C1/C=CC(=O)C=C1O	103980590	PVRGAOUUSOYJEC-FOWTUZBSSA-N	431.495	2.638	50	3	IFGF	
O=C(CCl)OCC1=CC(=O)[C@@]2(CO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1	587325298	DKHLQOOUMFQKRH-RBBKRZOGSA-N	446.814	2.894	50	1	IFGF	
COC(=O)C/C=C(\C=O)[C@H]1[C@@H](O)C(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	118919772	ATGNLIFLGDUYBB-MQWJWVDUSA-N	432.557	2.844	50	1	IFGF	
CCCCC[C@H](O)C=C[C@@H]1[C@H]2C[C@@H](OO2)[C@@H]1CC=CCCCC(=O)OC(CO)CO	2356371235	XWDRGTGPJCBPGC-AOIWZFSPSA-N	426.550	2.832	50	1	IFGF	
N[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCBr)CCBr	1487980	VUBQJZIZBRBAGS-HXUWFJFHSA-N	435.009	2.863	50	1	IFGF	
Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2ccc(-c3nn[nH]n3)cc2)ccc1C(=O)O	219895063	QKKDRXRBYRREIN-FSJBWODESA-N	429.440	2.736	50	1	IFGF	
Cc1cc2c(cc1S(=O)(=O)Oc1cccc(/C=N/NC(=O)c3ccncc3)c1)OCO2	40865517	WTUKFIOBLPURBC-FSJBWODESA-N	439.449	2.650	50	1	IFGF	
O=C(CCl)NC[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962980404	UNKCJESFNQHHTL-KUHUBIRLSA-N	429.250	2.816	50	1	IFGF	
C/C(=N/NC(=O)/C(C#N)=C/N(C)C)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1	299869876	VOEWFJMEUJEQBE-XEEXLMPNSA-N	425.514	2.605	50	1	IFGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(COC(=O)CCl)OCC2=O)N1	587682991	FGQGZWZZWHWDBG-VVVCHXIZSA-N	432.673	2.583	50	1	IFGF	
CN(C)C(=O)c1ccc2c(c1)[C@]1(CC(NNC(=O)c3ccncc3)=CC(C)(C)C1)NCC2	962932529	QOAPDQJKPRDNKT-RUZDIDTESA-N	433.556	2.763	50	1	IFGF	
O=C(CBr)NCC1=Cc2cc(Br)ccc2O[C@]1(O)C(F)(F)F	473089023	QKEYUOJXAQSYQY-LBPRGKRZSA-N	445.029	2.987	50	1	IFGF	
CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl	587870669	GFWTXBKLJAZBKI-UHFFFAOYSA-N	425.251	2.965	50	1	IFGF	
CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1c1ccc(B(O)O)c(F)c1F	961746352	CSMBQUNQMSNUFD-OAQYLSRUSA-N	444.287	2.885	50	1	IFGF	
CC(=O)O[C@]1(C)[C@@H](OC(=O)[C@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@@H]12	135872196	SOYOKDAJYCGEAL-MSNUJKLDSA-N	444.952	2.685	50	1	IFGF	
C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2/C(=N\NC(=O)c2ccccc2)CC[C@]3(O)[C@@H]1C5	33838883	AKXCFAYOTIEFOH-WGWPVKTPSA-N	445.519	2.518	50	1	IFGF	
CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@]2(C)O	101471740	WUASKKJXJMFQRK-SACAXFFCSA-N	426.531	2.677	50	1	IFGF	
COc1cc2c3c(c1)O[C@@](CBr)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O	587415420	RYCTXGFJPYLUSY-BTYIYWSLSA-N	442.265	2.873	50	1	IFGF	
O=S(=O)(CC(F)(F)F)N1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3	43617592	MNQDMAQPHKMRPE-UHFFFAOYSA-N	427.441	2.733	50	1	IFGF	
CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1C[C@H](O)[C@H](O)[C@@H](C)O1	64453664	HSYVHRKCXYKTRS-XWPNQZOQSA-N	435.392	2.623	50	1	IFGF	
CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(/C=C/CI)c1=O	27639858	AWIABVJVRSUEBQ-BJMVGYQFSA-N	428.274	2.860	50	1	IFGF	
C=C1[C@@H](C[C@@H](O)[C@@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1OC(C)=O	2356645517	TWAFDACXJSRHJO-HNIJGANYSA-N	425.953	2.958	50	1	IFGF	
COC1=C2C(=C[C@H](OC)[C@@H]1OC)CC[C@H](NC(=O)CCl)c1cc(=O)c(OC)ccc12	27720167	PNMLEUQBYHVRLD-XERREHJYSA-N	435.904	2.573	50	1	IFGF	
Cn1c(=O)c(C(=O)NCCNC(=O)CCCC[C@@H]2CCSS2)c(O)c2ccccc21	102200617	LSTBVXZIGNFIMP-CQSZACIVSA-N	449.598	2.804	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21)C(C)=O	587811657	OFVPGVMILRDICE-VUXJGSIMSA-N	444.297	2.790	50	1	IFGF	
COC(=O)C=C[C@@H]1C[C@H]2O[C@@H](C[C@@H]2Cl)[C@H](Br)C[C@H](Cl)[C@@H](O)[C@@H](C)O1	2356794680	IAZNOVLVHPHMRR-JSVHRRNKSA-N	446.165	2.780	50	1	IFGF	
COC(=O)c1cc(C(=O)OC)cc(-n2c(O)cc(NNC(=O)c3ccc(C)cc3)c2O)c1	169689319	NVQLLNXCKQPRPI-UHFFFAOYSA-N	439.424	2.527	50	1	IFGF	
O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1	1772617526	AKAWYUJEYJXTDM-UHFFFAOYSA-N	443.912	2.893	50	1	IFGF	
COc1ccc(Br)c(C(=O)N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)c1	49072027	NQTIHLAEOUWFOQ-REZTVBANSA-N	439.178	2.744	50	1	IFGF	
CCCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)c1O	149808035	UZZFELCZWZPFGN-VULFUBBASA-N	430.499	2.891	50	1	IFGF	
COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21	962897826	LNPBPVBJTNRHCB-KKSFZXQISA-N	431.851	2.781	50	1	IFGF	
C=C1[C@@H](C[C@H](O)[C@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1OC(C)=O	2356645518	TWAFDACXJSRHJO-LGAHQHHVSA-N	425.953	2.958	50	1	IFGF	
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCCNCCCN)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4	49780869	GOLJJJQYYYJZOJ-XOBYLBSTSA-N	439.641	2.935	50	1	IFGF	
C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1	102845279	YFNCWVSJGGVWJC-VXLYETTFSA-N	436.287	2.508	50	1	IFGF	
CC(C)(C)C(=O)OCOC(=O)[C@]1(C/C=C/c2ccccc2)/C(=C/C=O)O[C@@H]2CC(=O)N21	222281631	RTZMBJMWCNEYEE-RHYPNFLESA-N	427.453	2.590	50	1	IFGF	
O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N/N=C/c1ccc(F)cc1	653736196	ZLANVPFVXVVODZ-CVKSISIWSA-N	430.439	2.771	50	1	IFGF	
CO[C@@H]1CC(=O)c2cccc3c2[C@@]12Oc1ccc(O)c4c1[C@@](O3)(O2)[C@@H](OC)[C@@H](Cl)C4=O	2356334227	BZDPAFWDOHFSJX-VSMKJTFCSA-N	444.823	2.620	50	1	IFGF	
CCCN1[C@@H](C)Cc2ccccc2[C@@]1(c1cc(C(=O)NN)cc([N+](=O)[O-])c1)c1nccn1C	963245092	ZDUSDTNZOJDAGU-FYSMJZIKSA-N	448.527	2.880	50	1	IFGF	
CCCc1nn([C@@H]2CCOC2)c2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	1857648748	GSPBFTXGSHGZCB-SJKOYZFVSA-N	441.444	2.638	50	1	IFGF	
CCOC1=C/C(=C/NNC(=O)NN(C)c2ncc(C(F)(F)F)cc2Cl)C=CC1=O	13119214	KFSVNBLYEKMWET-CSKARUKUSA-N	431.802	2.852	50	3	IFGF	
NS(=O)(=O)c1ccc(C(=O)NNC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1	13612912	GYWUHOPQFYELAF-UHFFFAOYSA-N	426.454	2.593	50	1	IFGF	
CCCCNC(=O)N/N=C(\c1ccc(N)cc1)c1cc2c(cc1CC(=O)OC)OCO2	27517736	HTVZYPZUKONSIH-NJNXFGOHSA-N	426.473	2.565	50	1	IFGF	
O=C(N/N=C/c1ccc(OCCn2cc(C3(O)CCCCC3)nn2)cc1)c1ccncc1	169346133	PZNDZBLJUNJYMD-PCLIKHOPSA-N	434.500	2.668	50	1	IFGF	
O=C1c2ccc(O)cc2O[C@@]2(C(=O)[C@@H](Cl)C(=O)C(=O)[C@@H]2Cl)[C@@H]1c1ccc(F)cc1	587327476	GRWFLRCNYXABKN-IUHVXIRESA-N	437.206	2.565	50	1	IFGF	
C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCCCN1CCCCC1	618016944	COOWLGFTEZVFSE-MOPGFXCFSA-N	444.711	2.549	50	1	IFGF	
CN1C(=O)C[C@H]2CN[C@@](CBr)(CS(=O)(=O)c3ccccc3)c3cccc1c32	963032780	SQZZTPGZSAAZBO-XOBRGWDASA-N	449.370	2.804	50	1	IFGF	
OC[C@@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1C[C@@H]2[C@@H](Cl)C[C@H]1[C@H]2CO	473118018	JZWLUCMEQXBECY-UGCZWRCOSA-N	427.936	2.639	50	1	IFGF	
CSc1ncccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1	618007705	FMOHEMBFNLXDNV-UHFFFAOYSA-N	442.676	2.715	50	1	IFGF	
CC[C@H](Br)[C@@H]1C[C@H](O)[C@H](O)C[C@@H]2O[C@H](C=C=CBr)C[C@@H]2O1	2356434703	BKHFTVFNYNKPGW-XDFCNLNGSA-N	426.145	2.651	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1	14681044	NQAHWJIWYRYXFP-XGHLJYCJSA-N	430.497	2.538	50	1	IFGF	endogenous,in-man
CCCCS(=O)(=O)C[C@]1(C)OO[C@@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169365058	WUASKKJXJMFQRK-AJGRXUDCSA-N	426.531	2.677	50	1	IFGF	
COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1ccc(OCc2ccccc2)cc1B(O)O	963642328	YHUQSNXZURCLFB-LMKMVOKYSA-N	433.313	2.586	50	1	IFGF	
COc1cc(C(=O)N/N=C2\C(=O)Nc3ccc(OC(F)(F)F)cc32)cc(OC)c1OC	43020077	BCRRLLASUXMSOP-UHFFFAOYSA-N	439.346	2.697	50	1	IFGF	
CC(C)(C)C(=O)OCOC(=O)[C@@]1(C/C=C/c2ccccc2)/C(=C/C=O)O[C@@H]2CC(=O)N21	1772650151	RTZMBJMWCNEYEE-KAYAOHRJSA-N	427.453	2.590	50	1	IFGF	
CC[C@H](Br)[C@@H]1C[C@H](O)[C@H](O)C[C@@H]2O[C@H](C=C=CBr)C[C@H]2O1	2356434704	BKHFTVFNYNKPGW-XEJLVUOQSA-N	426.145	2.651	50	1	IFGF	
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc4[nH]c(=N)[nH]c4cc32)cc(Br)c1OC	1857655004	UOEDDVHPJNUFQV-INIZCTEOSA-N	442.273	2.973	50	1	IFGF	
COc1cc(/C=N/NC(=O)CSc2nnnn2-c2cccc3ccccc23)ccc1O	98085586	FJPVMFSRYUASRG-WSDLNYQXSA-N	434.481	2.772	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118933314	OWSGOSCRVVECHJ-QPOWZDAFSA-N	438.948	2.570	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21)C(C)=O	587811659	OFVPGVMILRDICE-YEVOMEFESA-N	444.297	2.790	50	1	IFGF	
C[C@]1(O)[C@@H](OC(=O)c2ccccc2)C[C@@H]2C[C@H]1OO[C@@]2(C)CS(=O)(=O)c1ccccc1	58668806	YVSRABCWSUHPMD-XRYGDTNYSA-N	446.521	2.936	50	1	IFGF	
NNC(=O)c1cc(Br)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)o1	587890922	ZEYSTSXVWWSPPE-UHFFFAOYSA-N	445.100	2.663	50	1	IFGF	
C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccccn3)CC2)c1O	169348315	LEPXONVHANGTKA-USHMODERSA-N	444.539	2.654	50	1	IFGF	
CC1(C)N=C(N)N=C(N)N1c1cccc(Oc2ccc(NC(=O)CBr)cc2)c1	13446239	HEEIKDIBGBCOQZ-UHFFFAOYSA-N	445.321	2.998	50	1	IFGF	
CCOC(=O)[C@H](Cl)[C@@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587545157	PYOHFLOPHQACSP-XERREHJYSA-N	434.828	2.826	50	1	IFGF	
O=C(CCl)OCC1=C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(=O)CO1	587326346	LDUIKGLVAFFISK-IFMALSPDSA-N	446.814	2.894	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1	14447186	LPPCHLAEVDUIIW-OHUBDXGHSA-N	432.557	2.819	50	1	IFGF	endogenous,in-man
CC(C)(C)OC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)N(CCCl)CCCl	27619358	UUJQQDBFPANDDG-MRXNPFEDSA-N	446.375	2.545	50	1	IFGF	
Cc1ncc([N+](=O)[O-])n1CCSC(=S)N1CCC(OC(=O)C(Cl)Cl)CC1	84724797	VKFIRCOIYBSKQA-UHFFFAOYSA-N	441.362	2.929	50	1	IFGF	
N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(CCCc2ccc(C(F)(F)F)cc2)CC1	170188869	NOQKROHNZBMZBH-HXUWFJFHSA-N	444.303	2.775	50	1	IFGF	
C/C(=N\NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccc(O)cc2oc1=O	1857588156	MYZXBCHMIUJDNJ-HDMAUQOBSA-N	434.364	2.560	50	1	IFGF	
O=C(N/N=C/c1ccccc1)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O	208818640	GHUJHULWTQZFFZ-MZJWZYIUSA-N	433.487	2.649	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@H]4O)c(O)c1	257495726	NQAHWJIWYRYXFP-NMZULNGRSA-N	430.497	2.538	50	1	IFGF	endogenous,in-man
CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21	40918539	SOYOKDAJYCGEAL-IXNDKLMBSA-N	444.952	2.685	50	1	IFGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)[C@@H](C2)C3=O	587447523	BGHQEORHCBUYMU-UWJYYQICSA-N	435.929	2.669	50	1	IFGF	
Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O	3641398	PFRCISHNAUSKDT-KRIBWQNSSA-N	440.776	2.812	50	1	IFGF	
O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1cc[n+]([O-])cc1	28228967	ZZQGFGFNVBDTGR-BHGWPJFGSA-N	447.326	2.594	50	1	IFGF	
CC(=O)O[C@@H]1C(COC(=O)c2ccccc2)=C[C@H](Cl)[C@H](O)[C@@H]1OC(=O)c1ccccc1	2356519454	CAABTNRNYPEXCM-BURNTYAHSA-N	444.867	2.909	50	1	IFGF	
C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(F)cc3)CC2)c1O	149794482	LJBHSPWBMJCSSS-VULFUBBASA-N	428.483	2.667	50	1	IFGF	
CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(O)[C@@H](Cl)C(=O)[C@@H](C(N)=O)C[C@]4(C)[C@H]3CC[C@]12C	13742774	JVBFUVZEMULQSD-ZRDCUOKOSA-N	425.953	2.574	50	1	IFGF	
COC(=O)C(=O)[C@H](Br)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1	587372302	ILPVNMINJCVJIE-AZUAARDMSA-N	432.270	2.944	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1	618008891	NPXAIDBVSLNQER-IBGZPJMESA-N	449.642	2.654	50	1	IFGF	
CC(C)C1=C2C3=CC=C(C=O)C[C@@H](O[C@@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1	14447179	LPPCHLAEVDUIIW-QSZWJNKTSA-N	432.557	2.819	50	1	IFGF	endogenous,in-man
Nc1nccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1	587537274	CGGNGAXQVPTLPO-DNVCBOLYSA-N	428.242	3.016	50	1	IFGF	
OB(O)c1cc(OC(F)(F)F)ccc1[C@H]1NC2(CC2)Cc2ccc(Br)cc21	961617780	WCWKSKAYCHPXCZ-MRXNPFEDSA-N	442.040	2.795	50	1	IFGF	
O=C1C(=O)[C@H](Cl)[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(=O)[C@@H]1Cl	587327501	GRWFLRCNYXABKN-ZZXMYQEDSA-N	437.206	2.565	50	1	IFGF	
Cc1cn([C@H]2C=C[C@@H](CO[P@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	13561204	PFRCISHNAUSKDT-VDWYMPDFSA-N	440.776	2.812	50	1	IFGF	
CC(=O)O[C@@H]1C[C@](O)(CCl)[C@](O)(CCc2ccoc2)[C@@]23CCC[C@@](C)(C(=O)OC2)[C@H]13	2356460267	ORMGZRKLHNVSQG-OUOFTWIQSA-N	440.920	2.598	50	1	IFGF	
O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](/C=C/CCl)Cc1ccccc1	26288248	MYYNBTKIXOTNBF-ACGJQVIASA-N	443.931	2.552	50	1	IFGF	
O=C1C=C(CCC2=CC(=O)C(CBr)=CC2=O)C(=O)C=C1CBr	44118302	AHEMKHZQXODYLN-UHFFFAOYSA-N	428.076	2.566	50	1	IFGF	
CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1c1ccc(B(O)O)c(F)c1F	961746346	CSMBQUNQMSNUFD-NRFANRHFSA-N	444.287	2.885	50	1	IFGF	
Nc1c(C(=O)NNC(=S)Nc2ccc(Cl)cc2)nnn1Cc1ccccc1Cl	957880363	SGNJOCYHUOFHAX-UHFFFAOYSA-N	436.328	2.847	50	1	IFGF	
CCC[C@H](OC(C)=O)C1=C(Br)[C@@](CI)(OC)OC1=O	13379611	JLDSXGUGUNGPOD-UFBFGSQYSA-N	447.063	2.702	50	1	IFGF	biogenic
Cc1cn([C@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	36287097	PFRCISHNAUSKDT-DNLSKASQSA-N	440.776	2.812	50	1	IFGF	
CC(=O)O[C@@]1(C)[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]21	40918541	SOYOKDAJYCGEAL-FWWRULOISA-N	444.952	2.685	50	1	IFGF	
CC[C@@H]1O[C@@H]2C[C@H](C=C=CBr)O[C@@H]2C[C@H](O)[C@H](O)C[C@@H]1Br	2356439750	BYNNASQGMHJTHX-KJNIREJUSA-N	426.145	2.651	50	1	IFGF	
C[C@@]1(O)[C@@H]2C[C@@H](C[C@@H]1OC(=O)c1ccccc1)[C@](C)(CS(=O)(=O)c1ccccc1)OO2	169330460	YVSRABCWSUHPMD-ATPUAQIGSA-N	446.521	2.936	50	1	IFGF	
NCc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1	963237770	UHTLBNKEXDFXCH-FPOVZHCZSA-N	426.314	2.931	50	1	IFGF	
CC(=N\NC(=O)c1ccc(Cl)cc1)/C(Cl)=N/Nc1ccc(S(N)(=O)=O)cc1	103230506	DETNTOHQYCCJPR-ZDOLVNRDSA-N	428.301	2.758	50	1	IFGF	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(OC(=O)N2CCOCC2)cc1	3014095	VFRCKVKSFAWEDR-IBGZPJMESA-N	445.431	2.842	50	3	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@@H]4O[C@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@]3(C)CC[C@@]2(C)CC1	257384528	BEECYWPPXWUPIT-ARBWRILASA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
CC(=O)C1=C(O)/C(=C(\C)Nc2cccc(NS(=O)(=O)c3ccccc3)c2)C(=O)OC1=O	169316802	QKQFZAHEOMXEOR-ATVHPVEESA-N	442.449	2.658	50	1	IFGF	
COc1cccc(/C=N\NC(=O)[C@@H](C)S[C@@H](C)C(=O)N/N=C/c2cccc(OC)c2)c1	31637729	RGOGHTJKUCHEDX-IPCXNCLYSA-N	442.541	2.814	50	1	IFGF	
CN(C)C(=O)c1ccc2c(c1)[C@@](CBr)(c1cccc3c1OCCO3)NCC2	962938074	UYKWLXTVOKFQSM-OAQYLSRUSA-N	431.330	2.944	50	1	IFGF	
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1	8671425	VNRLZXAZXOYAHS-AFUMVMLFSA-N	446.419	2.694	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C\CBr	263591308	VFOJBHJJEXIGII-WARQQTMWSA-N	429.314	2.810	50	3	IFGF	
Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NNC(=O)c1ccc(CO[N+](=O)[O-])cc1)O2	28876832	ZTNMWTBCSLGLQB-JOCHJYFZSA-N	443.456	2.571	50	1	IFGF	
CCOc1ccccc1C(=O)N1CCC[C@@H](C(=O)NCCSSCCN(C)C)C1	618007940	NWXWJOJQBLZCLL-QGZVFWFLSA-N	439.647	2.997	50	1	IFGF	
N#CCC(=O)NN/C(=C/[C@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21)c1ccccc1	963126629	WGDZMPLOWGYIQU-DOIQENQNSA-N	444.413	2.864	50	1	IFGF	
C[C@@]1(c2cc(B(O)O)ccc2Cl)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21	963188340	MIRODPONJCFYFS-NVXWUHKLSA-N	448.033	2.554	50	1	IFGF	
C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CC[C@]3(O)[C@@H]1C5	3874473	AKXCFAYOTIEFOH-CDUDFAGGSA-N	445.519	2.518	50	1	IFGF	
CN1C(=O)C[C@@H]2CN[C@]3(C(C=O)=C(N)Oc4ccc(Br)cc43)c3cccc1c32	963039595	YUWQDMYUIVSSIT-WSVYEEACSA-N	440.297	2.508	50	1	IFGF	
N#CC1=C(NC(=O)CN2CCOCC2)Oc2c(c(=O)oc3ccccc23)[C@H]1c1cccs1	1772594348	WWGFILOKASAIFP-LJQANCHMSA-N	449.488	2.562	50	1	IFGF	
C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@]2(C)O	38148264	YVSRABCWSUHPMD-HQDNEAKPSA-N	446.521	2.936	50	1	IFGF	
C/C=C/CCCCCC/C=C/C(=O)N[C@H]1C[C@@]2(O)C(=O)C=C[C@@H](Cl)[C@]2(C)O[C@H]1O	238766274	SMQUWAPDCGSDCO-IRWUAVPDSA-N	425.953	2.919	50	1	IFGF	
Cc1c2c(nn1CC(=O)N/N=C/c1ccccc1Cl)-c1ccccc1S(=O)(=O)N2C	45244866	SKMATLVJZHXEKJ-SSDVNMTOSA-N	443.916	2.801	50	1	IFGF	
NSOOc1ccc(-n2nc(C(N)=O)c3c2-c2ccc4c(c2CS3)OCO4)cc1	136001217	GAUSIWAYRSKDRL-UHFFFAOYSA-N	430.467	2.805	50	1	IFGF	
CN1C(=O)C[C@@H]2CN[C@](CBr)(CS(=O)(=O)c3ccccc3)c3cccc1c32	963032773	SQZZTPGZSAAZBO-JLTOFOAXSA-N	449.370	2.804	50	1	IFGF	
CCOc1cc(NC(C)=O)ccc1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(O)c(OC)c1	1660598	XYVJSKRTUWFYFF-RBUKOAKNSA-N	447.875	2.594	50	1	IFGF	
Cc1cc([C@@]2(CCl)NCCc3c(C(=O)O)cccc32)c(C)n1[C@H]1CCS(=O)(=O)C1	963126711	XEMMWYDGKDEDDF-BTYIYWSLSA-N	436.961	2.791	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccnc2Cl)CC1	618008248	CIFZLYFAPRVIJB-UHFFFAOYSA-N	431.027	2.646	50	1	IFGF	
COc1ccccc1C(=O)N/N=C/c1ccc(OC)c(O)c1I	96909394	LGOSTSZJCRZGGX-GIJQJNRQSA-N	426.210	2.778	50	1	IFGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(COC(COC(=O)CCl)=CC2=O)N1	587685864	RYNLEKDJVGNRHC-VVVCHXIZSA-N	432.673	2.583	50	1	IFGF	
CC(=O)C(OO[C@H](C(C)=O)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21)C(C)=O	587810539	LBZMOKNIMQMVFB-VUXJGSIMSA-N	444.297	2.790	50	1	IFGF	
Nc1nccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	587537277	CGGNGAXQVPTLPO-KXBFYZLASA-N	428.242	3.016	50	1	IFGF	
CC(=O)C1=C(O)/C(=C(\C)Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)C(=O)OC1=O	169316803	HFDPCFHEBMXBQC-ATVHPVEESA-N	442.449	2.658	50	1	IFGF	
CN1C(=O)C[C@@H]2CN[C@@]3(C(C=O)=C(N)Oc4ccc(Br)cc43)c3cccc1c32	963039592	YUWQDMYUIVSSIT-FIKIJFGZSA-N	440.297	2.508	50	1	IFGF	
C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccnc(N)n2)N1	587674319	WAIVCRKDUCTMHP-ANRSDYALSA-N	430.119	3.133	50	1	IFGF	
O=C(CCl)N1CCCc2cc(S(=O)(=O)N3C[C@@H](c4ccccc4)NC3=O)ccc21	72176560	PWBNJQPBTJOZJM-KRWDZBQOSA-N	433.917	2.660	50	1	IFGF	
Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(CN1C(=O)c3ccccc3C1=O)O2	587371504	FDBPCDWYPULFOK-FQEVSTJZSA-N	429.270	2.972	50	1	IFGF	
CC(=O)Oc1ccc(/C=N/NC(=O)c2ccc(CN3CCC[C@H](OC(C)=O)C3)cc2)cc1	1857745349	QVYPDZJOCKVXAT-HBAGGBEISA-N	437.496	2.903	50	1	IFGF	
NC(=O)N/N=C1C(=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)/N2CCC/1CC2	102414795	XKRZPYDILWEIGG-UKUWLFMSSA-N	449.536	2.969	50	1	IFGF	
C[C@]1(CS(=O)(=O)c2ccccc2)OO[C@H]2C[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]2(C)O	169329369	YVSRABCWSUHPMD-JYWLFISISA-N	446.521	2.936	50	1	IFGF	
CC(C)(C)[Si](OC[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O1)(c1ccccc1)c1ccccc1	170069499	IHZUQZWWKIYBME-AUSIDOKSSA-N	448.595	2.567	50	1	IFGF	
CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cc(C(=O)NN)cc([N+](=O)[O-])c1)c1nccn1C	963245093	ZDUSDTNZOJDAGU-GYCJOSAFSA-N	448.527	2.880	50	1	IFGF	
Cc1ccc(S(=O)(=O)n2cc(/C=N\NC(N)=O)c3cc(Br)ccc32)cc1	1857554495	XTTSDULCCHJBRN-UKWGHVSLSA-N	435.303	2.951	50	1	IFGF	
COC(=O)NNC(=O)/C(=C/c1cc(OC)c(OC)cc1OC)c1ccc(OC)c(OC)c1	49071397	OVUAKHYGUCJPLA-OQLLNIDSSA-N	446.456	2.657	50	1	IFGF	
CC(C)(C)C(=O)OCOC(=O)[C@H]1/C(=C(\C=O)C/C=C/c2ccccc2)O[C@@H]2CC(=O)N21	1772572386	XQZUNXLRBIFXDD-HYMUPIOOSA-N	427.453	2.590	50	1	IFGF	
CCn1cc(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(=O)c2cc(F)c(Cl)cc21	96911398	HOWKFTYNXANXCL-UHFFFAOYSA-N	437.880	2.746	50	1	IFGF	
COc1ccccc1Nc1nc(NNC(=O)c2ccncc2)nc(Nc2ccccn2)n1	103218706	NQMJPABVVPQXOG-UHFFFAOYSA-N	429.444	2.914	50	1	IFGF	
CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1C(=O)O)c1cccc(Cl)c1Cl	15985256	KHXRNHKWNRSEFJ-UKWGHVSLSA-N	444.296	2.608	50	1	IFGF	
CC(C)c1c(C(=O)N/N=C\c2cccc(OCc3ccccc3)c2)nnn1-c1nonc1N	33364907	GLZVHQXXRHVQQB-MSXFZWOLSA-N	446.471	2.699	50	1	IFGF	
O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@]2(CCC[C@H]2Cl)N1	963663516	ATVAFVHSWCQKIU-XFGYDDDFSA-N	428.916	2.705	50	1	IFGF	
CCCc1nn([C@H]2CCOC2)c2c1[C@H](c1cc(OC)c(O)c([N+](=O)[O-])c1)C(C#N)=C(N)O2	1857648749	GSPBFTXGSHGZCB-YVEFUNNKSA-N	441.444	2.638	50	1	IFGF	
COc1cc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(F)cc1O	963549114	IXGAMOCVJBRVFK-ORAYPTAESA-N	440.265	2.791	50	1	IFGF	
CCCCS(=O)(=O)C[C@]1(C)OO[C@H]2C[C@H]1C[C@H](OC(=O)c1ccccc1)[C@@]2(C)O	299808605	WUASKKJXJMFQRK-WQBVUOOHSA-N	426.531	2.677	50	1	IFGF	
CCOc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c(B(O)O)c1	962645751	RRMSGTLWEDBPJY-LVXARBLLSA-N	428.341	2.601	50	1	IFGF	
O=C(N/N=C/c1ccccc1)c1nc2c(c(=O)[nH]1)[C@@H]1CCCN1C(=O)N2c1ccccc1	84705987	UWYWUYKQLZAAHS-ZZQPOVDQSA-N	428.452	2.942	50	1	IFGF	
O=C1CC=C2[C@@H]3C[C@@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@H]25)C/C3=C/CBr	195424193	VFOJBHJJEXIGII-PRWLMLKJSA-N	429.314	2.810	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@@H]1c1ccc(O)cc1	199898740	HWQIPGANKAMDMO-ROUUACIJSA-N	443.847	2.941	50	1	IFGF	
O=C1C[C@H](C(=O)N/N=C/C2=C(Sc3nc4ccccc4s3)CCCC2)NC(=O)N1	214209317	ZOSSXPYNAPSGED-RNDVCUHJSA-N	429.527	2.917	50	1	IFGF	
COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4[C@H](C=C(C=O)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1	14681046	NQAHWJIWYRYXFP-ZUJPOXBWSA-N	430.497	2.538	50	1	IFGF	endogenous,in-man
O=C(COC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)NNC(=O)c1ccccc1	102395752	ODDAFAJMHZDDQA-NILVNCKXSA-N	435.318	2.725	50	1	IFGF	
O=C1CC=C2[C@H]3C[C@H]4N(CC[C@@]45c4cc(O)c(O)cc4N1[C@@H]25)C/C3=C\CBr	104232800	VFOJBHJJEXIGII-CIKNPIAYSA-N	429.314	2.810	50	1	IFGF	
Cc1cn([C@@H]2C=C[C@@H](CO[P@@]3(=O)Oc4ccccc4[C@@H](CCl)O3)O2)c(=O)[nH]c1=O	169368843	PFRCISHNAUSKDT-YBZCNDBUSA-N	440.776	2.812	50	1	IFGF	
C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(COC(COC(=O)CCl)=CC2=O)N1	587686778	XKXRKWQXJKAMCC-XLFHBGCDSA-N	432.673	2.583	50	1	IFGF	
O=C(NNc1nc(Nc2cccc([N+](=O)[O-])c2)nc(Nc2ccccn2)n1)c1ccncc1	103218777	QJPZFWAUZKIBJR-UHFFFAOYSA-N	444.415	2.814	50	1	IFGF	
Cc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)cc1	49051785	PMMMHGFNWMRTAP-OAQYLSRUSA-N	434.521	2.947	50	1	IFGF	
CC(C)(C)OC(=O)N[C@]1(c2nc3ccc(C(=O)NN)cc3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C	587240494	UVFYPMKVFOOMKN-DHZVRSILSA-N	429.521	2.721	50	1	IFGF	
Cc1ccc(S(=O)(=O)NNC(=O)C(Br)(C(F)(F)F)C(F)(F)F)cc1	68574003	YPUYSQZTNDNAIW-UHFFFAOYSA-N	443.163	2.563	50	1	IFGF	biogenic
Cc1ccc(OCC(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc1	618008724	JYKOAQQRYGGLRY-UHFFFAOYSA-N	439.647	2.672	50	1	IFGF	
Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(\NC(=O)/C=C/c1ccccc1)C(=O)NN	1629733	DSGUEBHTTQPPEI-MUXFZUAMSA-N	442.523	2.789	50	1	IFGF	
COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc(B(O)O)ccc1OCc1ccccc1	963060644	UIVVTINCJCLPJB-AREMUKBSSA-N	440.308	2.737	50	1	IFGF	
CC(=O)O[C@@H]1C[C@](O)(CCl)[C@@](O)(CCc2ccoc2)[C@@]23CCC[C@@](C)(C(=O)OC2)[C@H]13	2356460265	ORMGZRKLHNVSQG-FLNBJYBHSA-N	440.920	2.598	50	1	IFGF	
NC(=O)COc1ccc(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)cc1	95809362	SMUIZCGINAMRBF-MFKUBSTISA-N	440.500	2.686	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@@]21C	253636502	MLTOGNYFVGWIRE-VWSRIFCFSA-N	436.932	2.778	50	1	IFGF	
C[C@H](Cl)[C@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962911168	YSOFWOKTNWJGLY-WOVYWWTOSA-N	426.897	2.667	50	1	IFGF	
Cc1ccc(S(=O)(=O)NNC(=O)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1	68574342	BMWJWPMMGNQGTB-UHFFFAOYSA-N	432.264	2.978	50	1	IFGF	biogenic
CC(C)(C(=O)N[C@@H]1CCO[P@](=O)(N(CCCl)CCCl)N1)c1ccccc1N	49877460	YGIWOTXYUGIVQV-QZXCRCNTSA-N	437.308	2.886	50	1	IFGF	
CC(C)(C(=O)N[C@H]1CCO[P@](=O)(N(CCCl)CCCl)N1)c1ccccc1N	49877462	YGIWOTXYUGIVQV-RXAIFQJESA-N	437.308	2.886	50	1	IFGF	
CCOc1cc(NC(C)=O)ccc1C(=O)NNS(=O)(=O)c1ccc(Cl)cc1Cl	1094189	HKERNQMRUINGBB-UHFFFAOYSA-N	446.312	2.974	50	1	IFGF	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	13676720	WOWPAYJMCOFDII-IWGRKNQJSA-N	430.464	2.625	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@H]1c1cccc(O)c1	199898851	MMHWANDOZUYJEA-ZWKOTPCHSA-N	443.847	2.941	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@@H]1c1cccc(O)c1	199898950	MMHWANDOZUYJEA-MSOLQXFVSA-N	443.847	2.941	50	1	IFGF	
O=C1C[C@](O)(C(Br)Br)C(Br)=C1Br	169326107	RXDRFVDKFXRBAH-ZCFIWIBFSA-N	427.712	2.808	50	1	IFGF	
NNC(=O)c1ccc2nc([C@@H]3C[C@H]4CCCC[C@H]4N3S(=O)(=O)c3ccccc3)[nH]c2c1	586958268	HCIMLCWZPGTTLH-XMCHAPAWSA-N	439.541	2.861	50	1	IFGF	
COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(C)(=O)=O)nc1)[C@@H](C2)C3=O	587451435	YAXNFGCFNVYUBH-UGSOOPFHSA-N	438.299	2.532	50	1	IFGF	
CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)NNC(=O)NOCc2ccccc2)cc1	84604348	HDSBXPRQLDFSBQ-MRXNPFEDSA-N	427.505	2.665	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1O	199899021	FKHXIWUAMOENOX-ROUUACIJSA-N	443.847	2.941	50	1	IFGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(CN1C(=O)c3ccccc3C1=O)O2	587371508	FDBPCDWYPULFOK-HXUWFJFHSA-N	429.270	2.972	50	1	IFGF	
NC(=O)COc1ccccc1/C=N/NC(=O)CCCCCCC(=O)Nc1ccccc1O	95809363	ZUFXDJTTWUGLJG-MFKUBSTISA-N	440.500	2.686	50	1	IFGF	
CCOC(=O)[C@@H](CC(C)C)NC(=O)[C@H](N)Cc1ccc(N(CCCl)CCCl)cc1	73407841	OYMBDLNBTYXPKH-RTBURBONSA-N	446.419	2.934	50	1	IFGF	
COc1ccc(N2C(=O)/C(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)[C@@H](Cl)C2=O)cc1	169686810	ALEMGGQPIJYXEX-BXBKDCBCSA-N	438.871	2.746	50	1	IFGF	
O=C1Nc2ccccc2/C1=N/NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	299859262	FRECFKRFNXWQHZ-UHFFFAOYSA-N	429.392	2.933	50	1	IFGF	
COC(=O)C(=C1Nc2ccccc2N1)[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(F)ccc21	962897824	LNPBPVBJTNRHCB-HRAATJIYSA-N	431.851	2.781	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1	618008247	WANZTEWABFYDEX-CQSZACIVSA-N	446.038	2.957	50	1	IFGF	
O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)c1ccccc1	1772590825	WCGQDCQMPMDNDQ-UHFFFAOYSA-N	443.912	2.893	50	1	IFGF	
COc1cc(/C=C/C(=O)CC(/C=C/c2ccc(O)c(OC)c2)=N/NC(N)=O)ccc1O	28473612	OBUZSZASPVQPQX-FVXPIGGGSA-N	425.441	2.825	50	1	IFGF	
N#CC1=C(N)N(c2cccnc2)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2n2nnnc12	299828857	JFTJIDLBLONTOH-OAQYLSRUSA-N	434.463	2.977	50	1	IFGF	
COc1ccc2nc(N3CCOCC3)c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CCC4)cc2c1	72124484	VSAWUKYBHPBXHF-OAQYLSRUSA-N	432.480	2.895	50	1	IFGF	
CCCOc1nc(C(Br)Br)c([N+](=O)[O-])c(N2CCOCC2)n1	27875393	ZIPPRHPCZJBEIN-UHFFFAOYSA-N	440.092	2.799	50	1	IFGF	
COc1cc2c3c(c1)O[C@@](CCl)(c1ccc4c(c1)CCN4S(C)(=O)=O)[C@@H](C2)C3=O	587450722	ULUKRALORILLNW-KKSFZXQISA-N	433.913	2.899	50	1	IFGF	
COc1ccc2c(c1OC)[C@@H](c1ccc(OCc3ccccc3)cc1B(O)O)N(C)[C@H](C)C2	962637331	WNGZEODPJZBBCI-CRICUBBOSA-N	447.340	2.928	50	1	IFGF	
NNC(=O)c1ccc2nc(-c3sccc3NS(=O)(=O)c3ccc(F)cc3)[nH]c2c1	587170030	HZHISZQIXCFZIG-UHFFFAOYSA-N	431.474	2.835	50	1	IFGF	
OB(O)c1ccc(OCCN2C=CC3(C=C2)c2ccsc2CCN3Cc2ccco2)cc1	962704197	JIYZRWGFOMVUSR-UHFFFAOYSA-N	448.353	2.697	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1	618007971	OYDVRESJRRZXHL-OAHLLOKOSA-N	431.574	2.876	50	1	IFGF	
COc1cc2c3c(c1)O[C@](CCl)(c1ccc(CCNS(C)(=O)=O)cc1)[C@@H](C2)C3=O	587447522	BGHQEORHCBUYMU-LAUBAEHRSA-N	435.929	2.669	50	1	IFGF	
C[C@]1(O)[C@@H]2C[C@@H](C[C@@H]1OC(=O)c1ccccc1)[C@](C)(CS(=O)(=O)c1ccccc1)OO2	169330458	YVSRABCWSUHPMD-SOXSJERISA-N	446.521	2.936	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@H]3C(=O)C[C@]21C	253636499	MLTOGNYFVGWIRE-RZVHFEMPSA-N	436.932	2.778	50	1	IFGF	
Cc1ccc(C(=O)c2cc(F)c(OCC(=O)NNC(=O)c3cn(C)cn3)c(Cl)c2)cc1	1857766113	PZBIPRZNZGRIDM-UHFFFAOYSA-N	444.850	2.592	50	1	IFGF	
O=C(CCl)NC[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21	962980396	UNKCJESFNQHHTL-AUUYWEPGSA-N	429.250	2.816	50	1	IFGF	
NCc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)cc1	963237771	UHTLBNKEXDFXCH-PZJWPPBQSA-N	426.314	2.931	50	1	IFGF	
CCCc1cc(NCCN(C)C)nc2sc(C(=O)N/N=C/c3cccn3C)c(N)c12	71330488	XLAZKRGDTNJLKZ-ZMOGYAJESA-N	427.578	2.907	50	1	IFGF	
Cc1cccc(C[C@H](NC(=O)C[C@@H](NC(=O)c2ccccc2)c2cccc(F)c2)B(O)O)c1	195464182	ITEXCPQJMJWMRN-PKTZIBPZSA-N	448.303	2.735	50	1	IFGF	
CCOC(=O)c1cc(Br)c2[nH]c(CCNC(=O)CBr)nc2c1	586971707	XDBBVJAIQLSSPE-UHFFFAOYSA-N	433.100	2.556	50	1	IFGF	
NCCSSCCC(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1	618007946	UYXQTKZXERHNKE-UHFFFAOYSA-N	436.525	2.551	50	1	IFGF	
N#CC1=CC[C@@H]([C@H]2[C@@H]3[C@@H](C(=O)N(Cc4ccc(F)cc4)[C@@H]3O)[C@H]3N2CCC3(F)F)C=C1	96940499	KOIPOHQQDPREGF-QCZBUENISA-N	429.442	2.837	50	1	IFGF	
CC(C)C1=C2[C@@H]3CC=C(C=O)[C@H]4O[C@@H]5[C@@H](O)[C@@H](O)CO[C@@H]5O[C@@H]4[C@@]3(C)CC[C@@]2(C)CC1	15203090	BEECYWPPXWUPIT-HWAGZVMGSA-N	432.557	2.915	50	1	IFGF	endogenous,in-man
C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccnc(N)n2)N1	587673378	MKMXBEHZAKDUMN-AYVTZFPOSA-N	430.119	3.133	50	1	IFGF	
CCNC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	45259096	JPURTKZZGBPCKU-FGZHOGPDSA-N	439.464	2.921	50	1	IFGF	
Cc1cn([C@@H]2C=C[C@H](CO[P@@]3(=O)Oc4ccccc4[C@H](CCl)O3)O2)c(=O)[nH]c1=O	3641400	PFRCISHNAUSKDT-QXEOQHEVSA-N	440.776	2.812	50	1	IFGF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(C)(=O)=O)nc1)O2	587410701	WLAONRUIWOHUHN-QGZVFWFLSA-N	425.304	2.631	50	1	IFGF	
O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1B(O)O)OCc1ccccc1	1772607470	MWZNPGAFINPUQY-GOTSBHOMSA-N	446.312	2.680	50	1	IFGF	
O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCN(CCO)CC1	49694431	UOLCQHADMUNXHS-UHFFFAOYSA-N	434.577	2.530	50	1	IFGF	
CC[C@H](Br)[C@@H]1C[C@@H](O)[C@@H](O)C[C@@H]2O[C@@H](C=C=CBr)C[C@@H]2O1	238776393	BKHFTVFNYNKPGW-HDMHDTNDSA-N	426.145	2.651	50	1	IFGF	
NNC(=O)c1cc(Cl)cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)n1	587657748	ZCGOSOJBZPWYJK-UHFFFAOYSA-N	437.818	2.543	50	1	IFGF	
N[C@@](CCCCB(O)O)(C(=O)O)C1CCN(CCc2ccc(Cl)cc2Cl)CC1	170188843	TZUNJQFRWWARNO-LJQANCHMSA-N	431.169	2.673	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1	618008241	VXFSBDSHULWXPA-MRXNPFEDSA-N	445.601	2.805	50	1	IFGF	
C[C@H](Cl)[C@@]1(c2ccc(NS(C)(=O)=O)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962911159	YSOFWOKTNWJGLY-AHYKXKOGSA-N	426.897	2.667	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1	618007947	NYNOVHHOCDMXFY-AWEZNQCLSA-N	431.574	2.876	50	1	IFGF	
CC(C)c1nn(C)c2c1[C@@](CBr)(CCN1C(=O)c3ccccc3C1=O)NCC2	962925201	YGAVYYAESJKKHC-NRFANRHFSA-N	445.361	2.966	50	1	IFGF	
COc1cc(/C=N\NC(=O)COc2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccco1	33338818	HDAWUERQDQYPAA-UUYOSTAYSA-N	439.380	2.945	50	1	IFGF	
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2/C(=N\NC(=O)c2ccccc2)CC[C@@]3(O)[C@H]1C5	100058336	AKXCFAYOTIEFOH-XGQCQWQCSA-N	445.519	2.518	50	1	IFGF	in-vitro
C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccnc(N)n2)N1	587674321	WAIVCRKDUCTMHP-GLEZIHRCSA-N	430.119	3.133	50	1	IFGF	
CC(C)c1nn(C)c2c1[C@](CBr)(CCN1C(=O)c3ccccc3C1=O)NCC2	962925207	YGAVYYAESJKKHC-OAQYLSRUSA-N	445.361	2.966	50	1	IFGF	
N#CCC(=O)NN/C(=C\[C@]1(C(F)(F)F)NCCc2c(C(=O)O)cccc21)c1ccccc1	963126631	WGDZMPLOWGYIQU-UHWDDTASSA-N	444.413	2.864	50	1	IFGF	
CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)C=C[C@]4(C)[C@@H]3C(=O)C[C@@]21C	253636816	RACDDTQBAFEERP-VWSRIFCFSA-N	434.916	2.554	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)Cc2ccc(F)cc2)CC1	618008832	LAZOHXBQENBSEK-UHFFFAOYSA-N	427.611	2.666	50	1	IFGF	
Cc1cc2nc3c(nc2cc1C)[C@@]1(C(C#N)=C(N)N2CCNC2=C1[N+](=O)[O-])c1ccccc1-3	1772637204	DWSSZRKFQKPFIB-DEOSSOPVSA-N	437.463	2.572	50	1	IFGF	
CCOc1ccc(-c2nn(-c3cccc(C(=O)NN)n3)c(=O)c3ccccc23)cc1OCC	587670484	ZFPJQMSVIATRBE-UHFFFAOYSA-N	445.479	2.849	50	1	IFGF	
COc1cccc(C=NNC(=O)[C@H](C)S[C@@H](C)C(=O)NN=Cc2cccc(OC)c2)c1	4726579	RGOGHTJKUCHEDX-HOTGVXAUSA-N	442.541	2.814	50	3	IFGF	
CC=CCCCCCCC=CC(=O)N[C@@H]1C[C@]2(O)C(=O)C=C[C@H](Cl)[C@]2(C)O[C@H]1O	2356748815	SMQUWAPDCGSDCO-LAJDLSKKSA-N	425.953	2.919	50	1	IFGF	
COC(=O)NNC(=O)/C(=C/c1ccc(OC)c(OC)c1)c1cc(OC)c(OC)c(OC)c1	49071214	GYWAUAHRXUYTRV-OQLLNIDSSA-N	446.456	2.657	50	1	IFGF	
O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Cl)cc1	29565643	BFQFATKIIYMFLO-MRXNPFEDSA-N	433.896	2.864	50	1	IFGF	
CCN(NC(=O)CC(=O)NN(CC)C(=S)c1ccccc1)C(=S)c1ccccc1	34351453	SWIPHBRGDAUSAC-UHFFFAOYSA-N	428.583	2.834	50	1	IFGF	
CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1cccc[n+]1[O-]	40447776	XASHPFFLPOAPON-VSRNGQBXSA-N	439.493	2.936	50	1	IFGF	
C/C(=N\NC(=O)/C(C#N)=C/N(C)C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1	653861904	YXJFNSBVSNHORD-MEBXXKOGSA-N	445.932	2.950	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1	618008240	VXFSBDSHULWXPA-INIZCTEOSA-N	445.601	2.805	50	1	IFGF	
N#CC1=CC[C@H]([C@H]2[C@H]3[C@H](O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@H]3N2CCC3(F)F)C=C1	169301706	KOIPOHQQDPREGF-RIHSIYIJSA-N	429.442	2.837	50	1	IFGF	
CCOC(=O)[C@H](Cl)[C@]1(C(=O)OCC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1	587545156	PYOHFLOPHQACSP-UQASEVPWSA-N	434.828	2.826	50	1	IFGF	
CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2O)C1	618008246	WANZTEWABFYDEX-AWEZNQCLSA-N	446.038	2.957	50	1	IFGF	
O=C(CCCC(=O)Nc1cccc(Br)c1)N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O	169690339	LEXCIFZOTQHDJG-RGVLZGJSSA-N	448.253	2.696	50	1	IFGF	
O=C(N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)/C(=C\c1cccs1)NC(=O)c1ccccc1	169690138	WIFXVKINYGFJNM-NAOBDLHNSA-N	435.441	2.657	50	1	IFGF	
CN(C)CCSSCCNC(=O)C1CCN(C(=O)COc2ccc(F)cc2)CC1	618009051	QSESCBXIVHAXGD-UHFFFAOYSA-N	443.610	2.502	50	1	IFGF	
CS(=O)(=O)c1c(F)cccc1[C@]1(CBr)NCCc2nc3ccccn3c21	962981871	GKDVGRGVEFOPMC-SFHVURJKSA-N	438.322	2.661	50	1	IFGF	
COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cccc(OC(F)(F)F)c1	618007992	PLPLFQOGPNLOOO-ZDUSSCGKSA-N	426.482	2.800	50	1	IFGF	
O=C(N/N=C/c1ccccc1)c1nc2c(c(=O)[nH]1)[C@H]1CCCN1C(=O)N2c1ccccc1	84705985	UWYWUYKQLZAAHS-PTZPRWATSA-N	428.452	2.942	50	1	IFGF	
Cc1c[nH]c2c(N/C(=C\C#N)N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)cccc12	40863971	PJDZMRZGTXATNH-KQBANSRISA-N	434.544	2.846	50	1	IFGF	
COc1cc2nc(N3CCN(C(=O)c4cccc(CCl)c4)CC3)nc(N)c2cc1OC	25963694	KRFFYWFYIARGFH-UHFFFAOYSA-N	441.919	2.930	50	1	IFGF	
CC(C)CN(NC(=O)c1ccc2nccnc2c1)c1nc(C#N)ncc1Br	58568672	TUJVUPPKNYWWQV-UHFFFAOYSA-N	426.278	2.861	50	1	IFGF	
COC(=O)C/C=C(\C=O)[C@@H]1[C@@H](O)C(=O)[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	299849498	ATGNLIFLGDUYBB-NFYAKPDOSA-N	432.557	2.844	50	1	IFGF	
CCCc1c(O)ccc2c1O[C@](C(=O)OC)([C@@H](Br)CC(=O)OC)CC2=O	587451258	JOALCMQGKPMTHE-KSSFIOAISA-N	429.263	2.548	50	1	IFGF	
C=CCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2/C(=N\NC(=O)c2ccccc2)CC[C@]3(O)[C@H]1C5	169693573	AKXCFAYOTIEFOH-UXVYVVTRSA-N	445.519	2.518	50	1	IFGF	
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CC[C@@]3(O)[C@@H]1C5	195156215	AKXCFAYOTIEFOH-POETWBIHSA-N	445.519	2.518	50	1	IFGF	
C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCl	299823086	DDTGCOBFXVYHMT-FRCKFQSDSA-N	426.937	2.752	50	1	IFGF	
O=C(CCl)Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O	584904945	VKZZMWQUZNYGMS-ISLYRVAYSA-N	433.851	2.773	50	1	IFGF	in-vitro
O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2Cl)cc1)c1ccccc1	1772613373	VOPPXDDYECSYMN-UHFFFAOYSA-N	443.912	2.893	50	1	IFGF	
CC[C@@H](Br)[C@H]1C[C@H](O)[C@H](O)C[C@H]2O[C@H](C=C=CBr)C[C@H]2O1	28965958	BKHFTVFNYNKPGW-GRBQAUPASA-N	426.145	2.651	50	1	IFGF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H]2OC(C)C)c(=O)nc1O	299814544	LURMHPSVRXKOQU-MUQADHOPSA-N	428.602	2.721	50	1	IFGF	
C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1	618017206	HJNNIKOSFBOCBU-UZLBHIALSA-N	435.659	2.840	50	1	IFGF	
COC(=O)NNC(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)c1ccc(OC)c(OC)c1	49114551	MNXIOVIGVSIDDF-OQLLNIDSSA-N	446.456	2.657	50	1	IFGF	
Cn1c(=O)c(C(=O)NCCNC(=O)CCCC[C@H]2CCSS2)c(O)c2ccccc21	102200623	LSTBVXZIGNFIMP-AWEZNQCLSA-N	449.598	2.804	50	1	IFGF	
CC(/C=N/N(C)c1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	1857757889	ZIVZQDRHGQZJKS-XOBNHNQQSA-N	429.349	2.639	50	1	IFGF	
Cc1ncc(CO)c(/C=N/NC(=O)CCCCCCC(=O)Nc2ccccc2O)c1O	95808876	ZVHXKKQIQIRMNJ-ZMOGYAJESA-N	428.489	2.723	50	1	IFGF	
C=C1[C@@H](C[C@@H](O)[C@H]2CC(=O)NC2=O)[C@@]2(C)C[C@@H](Cl)CC(C)(C)[C@H]2C[C@H]1OC(C)=O	2356645519	TWAFDACXJSRHJO-PKAUJRCXSA-N	425.953	2.958	50	1	IFGF	
CCCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NCC)c1ccc(N)cc1)OCO2	27517799	COFYNBUKILGNRR-XTCLZLMSSA-N	440.500	2.955	50	1	IFGF	
COC(=O)[C@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3	139964630	GITXTLWTFJXXKT-RTWAWAEBSA-N	426.421	2.958	50	1	IFGF	
CCS/C(NC)=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1	1911582882	GAFNNSBINZXNFR-OBGWFSINSA-N	435.531	2.738	50	1	IFGF	
CCN(CC)c1ccc(-c2nn(-c3cccc(C(=O)NN)n3)c(=O)c3ccccc23)c(O)c1	587665029	KJNMQIPSTIWLMR-UHFFFAOYSA-N	444.495	2.603	50	1	IFGF	
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@@H]2/C(=N/NC(=O)c2ccccc2)CC[C@]3(O)[C@@H]1C5	101090202	AKXCFAYOTIEFOH-HVAIZHISSA-N	445.519	2.518	50	1	IFGF	
Nc1nccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1	587537276	CGGNGAXQVPTLPO-HNAYVOBHSA-N	428.242	3.016	50	1	IFGF	
C/C(=N\NC(=O)c1ccncc1)c1cnc2nnn(Cc3cc4cccnc4cc3F)c2n1	68248437	GQNZUYWKSKMQKI-XODNFHPESA-N	441.430	2.506	50	1	IFGF	
CCCc1cc2c(N)c(C(=O)N/N=C/c3cccn3C)sc2nc1NCCN(C)C	71316260	CEZXAVQLLLMZLX-ZMOGYAJESA-N	427.578	2.907	50	1	IFGF	
O=C(NCCCn1ncc2ccc([N+](=O)[O-])cc21)N1C(=O)[C@H](Cl)[C@@H]1c1ccc(O)cc1	199898807	HWQIPGANKAMDMO-MSOLQXFVSA-N	443.847	2.941	50	1	IFGF	
O=C(CCl)Nc1nc(Cc2nnc(S)n2NC(=O)c2ccc(Cl)cc2)cs1	28815420	PFIZAOFNTIQTNZ-UHFFFAOYSA-N	443.341	2.829	50	1	IFGF	
CC(/C=N/NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)=C\c1ccccc1	36384505	FPCBJIVBVJNKFV-LHQWZPQHSA-N	440.569	2.507	50	1	IFGF	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2c1	98084817	QRWVBGJOQIYICE-LSHDLFTRSA-N	442.884	2.865	50	1	IFGF	
COC(=O)C(=C1Nc2ccccc2N1)[C@@]1(CCl)NCCc2ccc(C(=O)N(C)C)cc21	962929789	XOGUNNQAZBOXGE-QHCPKHFHSA-N	440.931	2.890	50	1	IFGF	
O=C(CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCS(=O)(=O)CC1	49723120	RAIPXQGZEUTLGT-UHFFFAOYSA-N	439.574	2.651	50	1	IFGF	
O=C1Nc2ccc(F)cc2/C1=N/NC(=O)c1cc2cc(Br)ccc2oc1=O	103285666	VCVPEWMUIKVHAO-UHFFFAOYSA-N	430.189	2.781	50	1	IFGF	
CC[C@@H]1O[C@@H]2C[C@H](C=C=CBr)O[C@@H]2C[C@H](O)[C@@H](O)C[C@@H]1Br	2356439748	BYNNASQGMHJTHX-DGOLGNGOSA-N	426.145	2.651	50	1	IFGF	
CN(C)/C=C(\C#N)C(=O)Nc1nn(-c2ccccc2)nc1C(=O)c1cn(C)c2ccccc12	71319410	GMABIEWRDURHBB-JQIJEIRASA-N	439.479	2.898	50	1	IFGF	
COc1ccc([C@H]2C(C#N)=C(N)N3CCN(Cc4ccc(Cl)nc4)C3=C2[N+](=O)[O-])cc1	103202312	ZBWGARSUSKOGFE-SFHVURJKSA-N	438.875	2.798	50	1	IFGF	
O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(S(=O)(=O)O)cc2[nH]1	587009424	FINYCQGVESLTCZ-KRWDZBQOSA-N	432.889	2.930	50	1	IFGF	
COc1cccc(C(=O)N/N=C2/SCC(=O)N2CCc2ccc(OC)c(OC)c2)c1	1361519	WASQXJOLAFSHLY-XTQSDGFTSA-N	429.498	2.531	50	3	IFGF	
CCCOC(=O)Cc1cc2c(cc1/C(=N/NC(=O)NCC)c1ccc(N)cc1)OCO2	27438725	XJNWJJCMNKJBAO-NJNXFGOHSA-N	426.473	2.565	50	1	IFGF	
Cc1ccc(/C(O)=C/C(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1	101725684	RPDAOEHUXKYDJG-PGMHBOJBSA-N	430.460	2.547	50	3	IFGF	aggregator