smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C=CCNc1cc(N2CCCC2)ccc1[N+](=O)[O-]	4687583	JXQJJAYFSLGGHJ-UHFFFAOYSA-N	247.298	2.793	30	50	BFEA	
C=C(C)COB(OCC(=C)C)OCC(=C)C	169808241	AYFFECFSHYKLDG-UHFFFAOYSA-N	224.109	2.749	30	50	BFEA	
N#Cc1c(C2CCCCC2)nc(=S)[nH]c1O	2555819	LIXJAXQQMCEYOV-UHFFFAOYSA-N	235.312	2.764	30	50	BFEA	
N#CCCc1cccc(Br)c1	2574310	DCQWMXLVAOMQAN-UHFFFAOYSA-N	210.074	2.905	30	50	BFEA	in-vitro
Cc1cc(N)c(C#C[Si](C)(C)C)cc1[N+](=O)[O-]	200828216	YZTDWZCGZWORTO-UHFFFAOYSA-N	248.358	2.714	30	50	BFEA	
CC[C@@]1(c2ccc(Cl)cc2)O[C@H]1C#N	307154641	UZGDHXHZMCFXLH-QWRGUYRKSA-N	207.660	2.868	30	50	BFEA	
C=C(C)C[C@H]1C=CC[C@H](CC(=C)C)N1CCO	5092633	IVXINRRYVFFQLP-HUUCEWRRSA-N	235.371	2.910	30	50	BFEA	
O/N=C(/C=C/c1ccccc1)c1cccnc1	25664252	CIZQSTBHIOIWIU-MSHUHBKYSA-N	224.263	2.973	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)OC1(CC)CC	211945819	OWCIRNVYIVXMCJ-LBPRGKRZSA-N	214.305	2.677	30	50	BFEA	
Clc1ccc2cccc(OC[C@@H]3CO3)c2n1	1875378440	DAMGBSBDWWKCHZ-VIFPVBQESA-N	235.670	2.666	30	50	BFEA	
C=C1N(C)C(=O)O[C@]1(C)Cc1ccccc1	1423658	BWCNMNHSRZZWPV-CYBMUJFWSA-N	217.268	2.584	30	50	BFEA	
C=CCC[C@@H](C)Nc1ccc(CCO)cc1OC	289801800	SJMVNQLFMUZOCB-GFCCVEGCSA-N	249.354	2.997	30	50	BFEA	
C=C(C)CN(CC)Cc1ccc(C(=O)O)cc1	757276	LTASQDQPBKRMDD-UHFFFAOYSA-N	233.311	2.783	30	50	BFEA	
C=CCOC[C@@H](CSCCCC)OC(C)=O	5102449	FKFPXAYBAAROLX-LBPRGKRZSA-N	246.372	2.654	30	50	BFEA	
C=CCNC(=O)Cc1coc2cc(C)ccc12	6703935	QYHBABFCDSULOL-UHFFFAOYSA-N	229.279	2.586	30	50	BFEA	
C=CCNCc1ccc(Br)cc1	6855870	CTEYBASDYOQWIP-UHFFFAOYSA-N	226.117	2.725	30	50	BFEA	
N/N=C/c1ccc(-c2cccs2)s1	6473142	CLGZFSDFMZJTJI-IZZDOVSWSA-N	208.311	2.769	30	50	BFEA	
CC(=O)/C(Sc1nc(C)cc(C)n1)=C(\C)O	102313716	BAESVUUGBNAMEJ-NTMALXAHSA-N	238.312	2.564	30	50	BFEA	
C[Si](C)(C)C#Cc1ccccc1CC#N	169804576	IOIIANDDAOLUBY-UHFFFAOYSA-N	213.356	2.982	30	50	BFEA	
Cc1cccc(C)c1B1OC(C)(C)C(C)(C)O1	195843765	UAJMDNCXJSNIDM-UHFFFAOYSA-N	232.132	2.603	30	50	BFEA	
N#Cc1cc(OC(F)(F)F)c(F)cc1F	263624775	UAVOLIUHRUOFEY-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
N#Cc1ccc(-c2ccc(C#N)c(O)c2)cc1	65341305	FDINFKGWUIEHAF-UHFFFAOYSA-N	220.231	2.803	30	50	BFEA	in-vitro
CCSc1nc2c(cc1C#N)CCC2	242364	VTXRXTFTJSGMMK-UHFFFAOYSA-N	204.298	2.554	30	50	BFEA	
C=CCN(CC=C)C(=O)Cc1ccc(C)cc1	463539	PDOPWSZJBQPVTN-UHFFFAOYSA-N	229.323	2.738	30	50	BFEA	
O=C(/C=C/c1ccccc1O)c1ccncc1	5277833	IGTKEFCIWDBWNQ-AATRIKPKSA-N	225.247	2.683	30	50	BFEA	biogenic
C[C@@H](Nc1ccc(C#N)cc1Cl)C(C)(C)O	235236082	CGWSGXCUKNBJIA-MRVPVSSYSA-N	238.718	2.783	30	50	BFEA	
C[C@H]1C/C(=C/B2OC(C)(C)C(C)(C)O2)CCO1	307413310	LGYXAKVAXJGLGA-SPQRFVMMSA-N	238.136	2.743	30	50	BFEA	
N#CCC(=O)c1ccc(OC(F)(F)F)cc1	148916	IYZQGBBCANKWMX-UHFFFAOYSA-N	229.157	2.682	30	50	BFEA	in-vitro
O=C(CS)Nc1ccc2ccccc2c1	400541	SGMHGVVTMOGJMX-UHFFFAOYSA-N	217.293	2.708	30	50	BFEA	
COc1cc(C(F)(F)F)ccc1C#N	2577058	IXLCDVCLGOVPBE-UHFFFAOYSA-N	201.147	2.586	30	50	BFEA	in-vitro
N#Cc1ccc2c(c1)ncn2Cc1ccccc1	95496045	SWFRAEKHPOTJGL-UHFFFAOYSA-N	233.274	2.956	30	50	BFEA	
N#Cc1cc(F)ccc1NC[C@@H]1CCC=CO1	126322440	YRVWZAFGJCDEMA-LBPRGKRZSA-N	232.258	2.802	30	50	BFEA	
C=C[C@H](C)OC(=O)c1cnc2onc(CC)c2c1	187633024	SAVOPTIYKASDBX-QMMMGPOBSA-N	246.266	2.517	30	50	BFEA	
C=CC[S@@](=O)C12CC3CC(CC(C3)C1)C2	1875270705	XTDXYLRCSDPNNM-OUZJWQAESA-N	224.369	2.890	30	50	BFEA	
N#Cc1c(N)sc2c1-c1ccccc1CC2	2881979	KMUDCZOBMKTNNP-UHFFFAOYSA-N	226.304	2.968	30	50	BFEA	in-vitro
O/N=C(/Cl)c1ccc(Br)cc1	101922280	ZOPFQZFNZNMZEF-JXMROGBWSA-N	234.480	2.824	30	50	BFEA	
N#CC(=O)c1cc(Cl)cc(Cl)c1	143568447	HQMFFHQHAQDOHZ-UHFFFAOYSA-N	200.024	2.700	30	50	BFEA	
C=C(CCOC(=O)C(F)(F)F)[Si](C)(C)C	169829416	QOACSCDXVARNLK-UHFFFAOYSA-N	240.297	2.916	30	50	BFEA	
C=C(CN[C@H](C)c1cc(C)sc1C)C(=O)O	235193422	RCJYANOVUUPHNV-SECBINFHSA-N	239.340	2.656	30	50	BFEA	
O=[N+]([O-])c1ccc(/N=C/c2ccco2)c(O)c1	5513996	IJDUNLDUROJIEA-KPKJPENVSA-N	232.195	2.644	30	50	BFEA	
C=CCNCc1ccc(OCC)c(OCC)c1	6702069	MDQDVTITZVIGHK-UHFFFAOYSA-N	235.327	2.760	30	50	BFEA	
CC1(C)OB(Cc2cccc(F)c2)OC1(C)C	170017012	LIQLVQAWDJTUIM-UHFFFAOYSA-N	236.095	3.000	30	50	BFEA	in-vitro
N#C[C@@H]1CC[C@H](N[C@H]2C[C@H]2Cc2ccccc2)C1	442877899	XRVILPBEZFLBAV-WCVJEAGWSA-N	240.350	2.899	30	50	BFEA	
C=CC(=O)Nc1ccc(CCC)cc1C#N	1875368235	AHJJNIAJWGFNJO-UHFFFAOYSA-N	214.268	2.635	30	50	BFEA	
N#Cc1ccccc1NC1=CC(=O)CCC1	401353	HCMIHVZZMOSHIE-UHFFFAOYSA-N	212.252	2.607	30	50	BFEA	
CC1(C)OB(c2cccc(C3CC3)c2)OC1(C)C	169968631	VHNQNDFTCALSPV-UHFFFAOYSA-N	244.143	2.863	30	50	BFEA	in-vitro
Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)cc1C	200123942	WXVQNHZAYIRIJN-UHFFFAOYSA-N	246.159	2.911	30	50	BFEA	
N#CC(C#N)=NNc1ccccc1C(F)(F)F	62914	LMFPADXPOKBSAR-UHFFFAOYSA-N	238.172	2.520	30	50	BFEA	
Cc1cc(C/C(O)=N/[C@H](C)c2ncc(C)o2)no1	329470130	YPZCQMAKELTQQC-SECBINFHSA-N	249.270	2.540	30	50	BFEA	
CC[C@H](C)O/N=C(\C)c1ccc(CC(=O)O)cc1	584908377	IIKXXEJHCJCCCM-MKNMWBPTSA-N	249.310	2.853	30	50	BFEA	
C#CCCCCCOC(=O)Cc1ncccc1F	864088186	ZXJCHCLGSOHRPY-UHFFFAOYSA-N	249.285	2.500	30	50	BFEA	
COc1ccc(C#N)cc1OC1CCCC1	161566	KHBXUQZYMCKLFS-UHFFFAOYSA-N	217.268	2.888	30	50	BFEA	in-vitro
N#Cc1ccc(OCCCN2CCCCC2)cc1	2009079	RHMNKKOAWUCDRK-UHFFFAOYSA-N	244.338	2.813	30	50	BFEA	in-vivo
CCC[C@H]1COCCN1Cc1ccccc1C#N	67691538	VIKHBIVZRKMSPJ-HNNXBMFYSA-N	244.338	2.559	30	50	BFEA	
CCN1C=CC=C/C1=C/C=C1\C=CC=CC1=O	409415898	NTVFYYIBNJTPSJ-MBGGJNPXSA-N	225.291	2.897	30	50	BFEA	
Cc1cccc(CCN2CCC[C@@](C)(C#N)C2)n1	592101840	UASVNSQRAIXBRL-HNNXBMFYSA-N	243.354	2.558	30	50	BFEA	
CC1=C(/C(C)=N\O)/C(=N\O)[C@H]2CCCC[C@H]2O1	4764993	FOEWKBVMWHWBLO-WNFHAESQSA-N	238.287	2.530	30	50	BFEA	
C/C(=C/B1OC(C)(C)C(C)(C)O1)C1CC1	307363114	JCKOHJOCBUCCHR-HJWRWDBZSA-N	208.110	2.974	30	50	BFEA	
O=C1C(c2ccncc2)=C(O)c2ccccc21	156742	JUTDMVMGNNVIOM-UHFFFAOYSA-N	223.231	2.704	30	50	BFEA	in-vitro
C=CCNCCOc1ccc(OC(C)C)cc1	4843129	UPIIEGYDXBADTD-UHFFFAOYSA-N	235.327	2.628	30	50	BFEA	
C=CCN(CC=C)C(=O)Cc1cccc(C)c1	6741628	PQQFZVBLKHKXQM-UHFFFAOYSA-N	229.323	2.738	30	50	BFEA	
C[C@@H](C#N)C(=O)Nc1cccc(C(F)F)c1	335275863	ZPQNWGXWKRJWHV-ZETCQYMHSA-N	224.210	2.722	30	50	BFEA	
C[C@H]1CCCN(c2ccccc2OC[C@@H]2CO2)C1	1857780267	YHYZEYKUYOFQSE-STQMWFEESA-N	247.338	2.701	30	50	BFEA	
CCCCC/C(=N\O)c1ccc(O)cc1O	5417769	LYVREWSQGUBDKS-ACCUITESSA-N	223.272	2.856	30	50	BFEA	
C=CCN(CCC)C(=O)c1sc(C)nc1C	67676620	XUJGPRRWGSQCOW-UHFFFAOYSA-N	238.356	2.798	30	50	BFEA	
CC1(C)CC[C@@H](C=O)N(C(=O)OC(C)(C)C)C1	616583209	XRUPEDVKHIJTTG-JTQLQIEISA-N	241.331	2.611	30	50	BFEA	
O=C(/C=C/c1ccc[nH]1)/C=C/c1ccc[nH]1	2519496	BDKPSPXPELVDQC-KQQUZDAGSA-N	212.252	2.639	30	50	BFEA	
C=CCSc1nc(-c2ccc(OC)cc2)n[nH]1	6492449	RFAFVASFJZRVSO-UHFFFAOYSA-N	247.323	2.758	30	50	BFEA	
N#Cc1cccnc1OC1CCCCC1	19489248	VVMPGKGYTJRBCO-UHFFFAOYSA-N	202.257	2.665	30	50	BFEA	in-vitro
CO[C@@H](CCC#N)OCC(Cl)(Cl)Cl	43199158	KKOBYTZVHZUIER-ZCFIWIBFSA-N	246.521	2.649	30	50	BFEA	
O/N=C1/CCc2c([nH]c3ccc(F)cc23)C1	238617205	LXOISCFAAKOVPU-NVNXTCNLSA-N	218.231	2.626	30	50	BFEA	
N#Cc1cc(F)c(OC(F)(F)F)cc1F	263624621	SBECIQUQANACKT-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
C[C@@H](CCc1ccccc1)NCCC#N	1867353	ZQXYBODARBOTEP-LBPRGKRZSA-N	202.301	2.511	30	50	BFEA	in-vitro
C=CCOc1ccc(CC(=O)O)cc1Cl	2014875	ARHWPKZXBHOEEE-UHFFFAOYSA-N	226.659	2.532	30	50	BFEA	world
C=CCNC(=O)COc1ccccc1C(C)(C)C	12381772	GKPSPQYAKLSOAZ-UHFFFAOYSA-N	247.338	2.665	30	50	BFEA	
C=CCSc1ccccc1C(=O)NC1CC1	72434195	LLBUQSGOIUWVBU-UHFFFAOYSA-N	233.336	2.857	30	50	BFEA	
Cc1ccc(CN(CC#N)Cc2ccccn2)o1	1615589312	XJISQSDJQKEVGR-UHFFFAOYSA-N	241.294	2.509	30	50	BFEA	
Clc1nccnc1N/N=C/c1ccccc1	4595742	QKHCCFOYYBIYAJ-OVCLIPMQSA-N	232.674	2.576	30	50	BFEA	
N#Cc1ccc(OCc2ccccc2)cc1O	34559187	SZVJDJBGNPQFKF-UHFFFAOYSA-N	225.247	2.843	30	50	BFEA	
N#C[C@@H]1C(=O)CC23CC=CCC12CC=CC3	45027843	NYPAILYZRYJGJS-LMWSTFAQSA-N	213.280	2.772	30	50	BFEA	
C=CCc1ccccc1OCCn1ccnc1	235655	GPTVDKAAFOCJDF-UHFFFAOYSA-N	228.295	2.691	30	50	BFEA	
COc1ccc(C(=O)N(O)c2ccccc2)cc1	267946	IMEJZBWBEXZVNP-UHFFFAOYSA-N	243.262	2.731	30	50	BFEA	biogenic
COc1ccccc1NC(=O)ON=C(C)C	4583016	OPBCPRUBRCKRHJ-UHFFFAOYSA-N	222.244	2.640	30	50	BFEA	
C=CC[C@]1(C(=O)O)CCCN(Cc2ccoc2)C1	91575513	RBCJSSFAGKSNLW-AWEZNQCLSA-N	249.310	2.523	30	50	BFEA	
C=CCCc1ccccc1NC(=O)[C@H](C)OC	242087968	WAQCLXICYUDXEV-NSHDSACASA-N	233.311	2.779	30	50	BFEA	
COc1cc(CC#N)ccc1Br	4293880	AITZSRHOUYDLOM-UHFFFAOYSA-N	226.073	2.524	30	50	BFEA	
CCN(CC)C/C(C)=N/Nc1ccccc1	53943698	SHBRHXIRAAZLAA-WYMLVPIESA-N	219.332	2.816	30	50	BFEA	
C=CCn1ccnc1-c1ccc(C(C)=O)cc1	71419244	NNKZKFSITYUBBK-UHFFFAOYSA-N	226.279	2.939	30	50	BFEA	
C=C(C)C(=O)N(CC)c1ccc(C)cc1	2160165	RPGUBHGYKSZQED-UHFFFAOYSA-N	203.285	2.924	30	50	BFEA	
COc1ccc(Br)cc1CC#N	2565992	VHFHMEZAFVNROO-UHFFFAOYSA-N	226.073	2.524	30	50	BFEA	in-vitro
C=CCc1cc(C=O)cc(OCC)c1OC	5651978	CRALELCIWHSMCO-UHFFFAOYSA-N	220.268	2.635	30	50	BFEA	in-vitro
CC(C)Oc1ccc(-c2noc(CC#N)n2)cc1	45893638	IYRPYDNOACYODM-UHFFFAOYSA-N	243.266	2.590	30	50	BFEA	
C=CCC[C@@H](C)NCc1ncc(C)s1	134925415	OIHYXBICZYHJBO-SECBINFHSA-N	210.346	2.896	30	50	BFEA	
N#Cc1nccnc1N[C@@H]1CC[C@H]2CCC[C@H]2C1	329637123	VNGGSONHLUZJGQ-GRYCIOLGSA-N	242.326	2.729	30	50	BFEA	
C=C(C)COc1ccc2ccc(=O)oc2c1	443467	NYYIJXQZJGQQOP-UHFFFAOYSA-N	216.236	2.748	30	50	BFEA	biogenic
C=CCNC(=O)c1ccccc1OCC(C)C	8073747	NPTGKCPNIMEMIZ-UHFFFAOYSA-N	233.311	2.637	30	50	BFEA	
C=C/C(O)=N/Cc1ccccc1-n1ccc(C)n1	328596914	BMFTZAHANYEASR-UHFFFAOYSA-N	241.294	2.823	30	50	BFEA	
N#Cc1cn(-c2ccccc2)nc1-c1cccnc1	804862	APWIMRGHELHOQO-UHFFFAOYSA-N	246.273	2.806	30	50	BFEA	
Cc1ccc(/C=C/C(=O)c2ccc[nH]2)o1	4302991	WFNWCLALQXXXPA-VOTSOKGWSA-N	201.225	2.812	30	50	BFEA	
N#Cc1ccc(F)c(F)c1Br	75927323	AJSCMTNRSYZUJK-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
N#Cc1ccc(NCc2ccc(F)cc2F)cn1	149388696	URFSBYHSEGXUMJ-UHFFFAOYSA-N	245.232	2.844	30	50	BFEA	
C[C@]1(c2ccc(C(F)(F)F)cc2)O[C@H]1C#N	380467847	CMUYFLRPISUCQZ-VHSXEESVSA-N	227.185	2.843	30	50	BFEA	
N#Cc1ccc(Nc2nccc(Cl)n2)cc1	8700528	QXCHAADSAYQDHL-UHFFFAOYSA-N	230.658	2.745	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C#N	71788988	MYXLXKKWRQMPOP-SNVBAGLBSA-N	236.315	2.547	30	50	BFEA	in-vitro
CNc1cc(C)c(C#N)c2nc3ccccc3n12	245268	JDTHCWACCHIXOP-UHFFFAOYSA-N	236.278	2.709	30	50	BFEA	
Cc1cc(/C=C\C(=O)c2ccncc2)ccc1O	4567007	JYRCJGLHMFSVSJ-HYXAFXHYSA-N	239.274	2.992	30	50	BFEA	
C=CCN(CC=C)C(=O)c1ccccc1OC	6248871	CZBPCWLXBVPNGB-UHFFFAOYSA-N	231.295	2.509	30	50	BFEA	
O=C1/C(=C\c2ccccc2Cl)N2CCC1CC2	12340232	WNICXJVIQXXISD-UKTHLTGXSA-N	247.725	2.976	30	50	BFEA	
N#C[C@@H](c1ccc(F)cc1)c1ccc(Cl)nn1	15442825	LNBFRLKKHZPRRS-JTQLQIEISA-N	247.660	2.925	30	50	BFEA	
C=CC[C@@H]1N(C(=O)C=C)CCCC1(C)C	952882359	VFZDGCAEMRQGDZ-NSHDSACASA-N	207.317	2.766	30	50	BFEA	
Cc1cc(C(=O)/C=C/c2ccc(C#N)cc2)no1	328594272	NRBWRJZYDAAYBN-VOTSOKGWSA-N	238.246	2.751	30	50	BFEA	
CC1(C)OB(c2ccc(Cl)s2)OC1(C)C	169747602	DDDRRTOIHWNUSI-UHFFFAOYSA-N	244.552	2.701	30	50	BFEA	in-vitro
CC(C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1	198089255	AIZONPDASNPSJU-UHFFFAOYSA-N	247.147	2.504	30	50	BFEA	
c1ccc(-c2cccc(OC[C@@H]3CO3)c2)nc1	1875379195	OECIVJSFTXJUBK-CYBMUJFWSA-N	227.263	2.526	30	50	BFEA	
C#C[C@@](C)(O)CCc1c(C)cc(OC)c(C)c1C	235437	JXCJQKKRVOZZPW-MRXNPFEDSA-N	246.350	2.937	30	50	BFEA	biogenic
N#C/N=C(\S)SCc1ccccc1	4253943	PFCWNQNRPABNDJ-UHFFFAOYSA-N	208.311	2.687	30	50	BFEA	
C#CCSc1nc(C)c2cc(OC)ccc2n1	2322458	LVTLUJNMWSBIDU-UHFFFAOYSA-N	244.319	2.672	30	50	BFEA	
N#Cc1ccc(Oc2ccc(O)cc2)cc1C#N	1067314	MIZUAXOBQGRUHO-UHFFFAOYSA-N	236.230	2.928	30	50	BFEA	
N#Cc1ccc(-c2cccc(C(=O)O)c2)cc1	2528933	WLUGFHVTVXLVFB-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	in-vitro
C=CCN(CC=C)C(=O)Cc1ccccc1C	6726536	KULYHHCZFWMUSH-UHFFFAOYSA-N	229.323	2.738	30	50	BFEA	
C=CCSc1nnc(-c2ccccc2)n1C	16275989	OBYBTGCULGTXTP-UHFFFAOYSA-N	231.324	2.760	30	50	BFEA	
CC(NC(C)(C)C)=C1C(=O)CC(C)(C)CC1=O	101392046	NPVVIBMEOSRGBB-UHFFFAOYSA-N	237.343	2.607	30	50	BFEA	
CC[C@]1(c2ccc(Cl)cc2)O[C@@H]1C#N	307154639	UZGDHXHZMCFXLH-GHMZBOCLSA-N	207.660	2.868	30	50	BFEA	
C=C(C)[C@@H]1CC[C@@H](C)O[C@H]1CN1CCCC1	4029232	OESHVYGQGUCFKO-RDBSUJKOSA-N	223.360	2.842	30	50	BFEA	biogenic
O=Cc1ccccc1C#Cc1ccccc1	19088523	SDSQNHMKRHPAIM-UHFFFAOYSA-N	206.244	2.899	30	50	BFEA	
Cc1ccccc1C1(C#N)CCOCC1	26516981	ZLRMKWPREAHUFW-UHFFFAOYSA-N	201.269	2.567	30	50	BFEA	
C=CCN(Cc1cc[nH]n1)c1ccccc1	170608777	DXXTZRSXKZHWFF-UHFFFAOYSA-N	213.284	2.602	30	50	BFEA	
Cc1ccc(/C=N/[S@@](=O)C(C)(C)C)cc1	204247438	CIQHJZHMIYCJTP-GLNPCMGASA-N	223.341	2.876	30	50	BFEA	
C[C@@]1(c2ccccc2Br)O[C@H]1C#N	306187920	BHHJTSQEEMFIEA-UWVGGRQHSA-N	238.084	2.587	30	50	BFEA	
N#Cc1ccc(-c2noc(C3CCC3)n2)cc1	725273594	NHCOZPIMMTZMBV-UHFFFAOYSA-N	225.251	2.876	30	50	BFEA	
CC1(C)CCc2cc(OC[C@@H]3CO3)ccc2O1	1875379637	SLZLYCPJXNXZNI-GFCCVEGCSA-N	234.295	2.568	30	50	BFEA	
C=C(C)C[C@@H]1CC=C[C@@H](CC(=C)C)N1CCO	229096	IVXINRRYVFFQLP-GJZGRUSLSA-N	235.371	2.910	30	50	BFEA	
CC(=O)/C=C(\C)CNc1ccc(C)cc1	5570930	ZNRIBNDIQDDPPA-DHZHZOJOSA-N	203.285	2.942	30	50	BFEA	
CC1(C)C2=CCC[C@@]3(CO3)[C@]2(C)CC[C@@H]1O	71786728	DQTDEHMIRDKKEI-IACUBPJLSA-N	222.328	2.663	30	50	BFEA	
N#CCC(=O)Nc1ccc(C(F)(F)F)cc1	4105256	JBNCFFDGYDZEEN-UHFFFAOYSA-N	228.173	2.558	30	50	BFEA	
C=C1C(=O)O[C@H]2[C@@H]3O[C@]3(C)CCC=C(C)CC[C@H]12	253986904	KTEXNACQROZXEV-GUIRCDHDSA-N	248.322	2.762	30	50	BFEA	biogenic,in-vitro
O=C1C=C[C@@H]2C[C@]34C=CC[C@@H]3CC[C@H]4[C@@H]12	257356245	GZYCIIFSGMYZDD-SSYGJKRZSA-N	200.281	2.734	30	50	BFEA	
C=CCN[C@H](C)c1c(O)cc(F)cc1F	130728361	WLTVVEIXGLNYKF-SSDOTTSWSA-N	213.227	2.507	30	50	BFEA	
C=CCC[C@H](O)CN1CCCC[C@H](SC)C1	246961143	UYYJJBGJANYLBL-STQMWFEESA-N	243.416	2.531	30	50	BFEA	
N#CC(C#N)Cc1c(F)cccc1Cl	169681	WPLJTCKVEJREKQ-UHFFFAOYSA-N	208.623	2.685	30	50	BFEA	
O/N=C1C(=C/c2ccccc2)/N2CCC/1CC2	103523166	HRIJKLAHYFFWJZ-FZQUVCEYSA-N	228.295	2.583	30	50	BFEA	
C=CCNc1oc(-c2cccs2)nc1C#N	2376910	UTMBSRCEGLDNOY-UHFFFAOYSA-N	231.280	2.873	30	50	BFEA	
CC(C)(C)C(=O)/C=C(\N)C(Cl)(Cl)Cl	2839642	WGDYNQLRGWOGRE-PLNGDYQASA-N	244.549	2.814	30	50	BFEA	
CCCCOS(=O)(=O)c1ccc(C)cc1	1693321	QYJXDIUNDMRLAO-UHFFFAOYSA-N	228.313	2.500	30	50	BFEA	biogenic,in-vitro
C=CCOc1ccc(C(=O)N2CCCCC2)cc1	4870067	GLGYSMCGHLVYDZ-UHFFFAOYSA-N	245.322	2.878	30	50	BFEA	
N#Cc1ccccc1Oc1cc(Cl)ncn1	40422413	JNEZGHPSXFUFMT-UHFFFAOYSA-N	231.642	2.794	30	50	BFEA	in-vitro
C#CCSc1nc(N)c2c(C)c(C)sc2n1	1895699	GCCOQXJVAUIXJV-UHFFFAOYSA-N	249.364	2.616	30	50	BFEA	
O=C1CCCC/C1=C/NCc1ccc(F)cc1	2833329	TYYYIRBPKNFFHA-BENRWUELSA-N	233.286	2.942	30	50	BFEA	
CN(CCC#N)C12CC3CC(CC(C3)C1)C2	3995685	YVBAYRNDCUDXEC-UHFFFAOYSA-N	218.344	2.801	30	50	BFEA	
CCCc1cc(C(F)(F)F)c(C#N)c(O)n1	4023577	DJGJKAKZHXPMBI-UHFFFAOYSA-N	230.189	2.630	30	50	BFEA	
C[C@@]1(c2ccc3ccccc3c2)O[C@H]1C#N	390108146	VDBMCOVPJUBJBO-KBPBESRZSA-N	209.248	2.977	30	50	BFEA	
CCOc1ccnc(Oc2ccccc2C#N)n1	2325865262	UQFMIYHNGCXKSE-UHFFFAOYSA-N	241.250	2.539	30	50	BFEA	
CC(=O)/C=C1\Sc2ccccc2N1C	12363978	MMGDXFPDKJNCAM-XFFZJAGNSA-N	205.282	2.659	30	50	BFEA	
CC(C)(C)OC(=O)N[C@@H](CC=O)C1CCCC1	217478243	XYBBNXIVNWNJSG-NSHDSACASA-N	241.331	2.659	30	50	BFEA	
N#Cc1cncc(N2CCCC[C@@H]2C2CCC2)n1	585089053	CADGQWQIVVDHHS-CYBMUJFWSA-N	242.326	2.507	30	50	BFEA	
C#C[C@H](C)COCOCC[Si](C)(C)C	169838023	SZJHARIMZMWRLO-NSHDSACASA-N	214.381	2.585	30	50	BFEA	
C[C@H]1CCN(c2ccc(C#N)cc2)CCS1	276888585	JRQHQWZGGJYTCI-NSHDSACASA-N	232.352	2.890	30	50	BFEA	
Nc1ncccc1/N=C/c1ccc(F)cc1	366802	VAAVBRPXIKFEMB-LZYBPNLTSA-N	215.231	2.554	30	50	BFEA	
N#C[C@H](c1ccccc1)N1CCCCC1	19419101	IXQJQHORYHYKBD-CYBMUJFWSA-N	200.285	2.737	30	50	BFEA	
N#Cc1sccc1-c1ccc(C=O)o1	725244944	BWCUNXFVZJUAIT-UHFFFAOYSA-N	203.222	2.692	30	50	BFEA	
O=C(O)c1ccc(N=Cc2ccccc2O)cc1	254347356	CZNXQJHAMQNIHB-UHFFFAOYSA-N	241.246	2.841	30	50	BFEA	
C(=NN1CCCCC1)c1ccc2c(c1)CCC2	254522317	FNOORQYQLPKKLV-UHFFFAOYSA-N	228.339	2.995	30	50	BFEA	
CC#CC(=O)N[C@@H](CC)c1ccc(Cl)s1	283079322	DNPXQNUEFBAMDI-QMMMGPOBSA-N	241.743	2.992	30	50	BFEA	
CCCCC(=O)Nc1sccc1C#N	4330589	XNKCPPDVBPRXAI-UHFFFAOYSA-N	208.286	2.748	30	50	BFEA	
C=C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H](O)[C@]21CCCO1	169670700	REYAQYKDCFRZMF-CTHBEMJXSA-N	236.355	2.909	30	50	BFEA	
CC(C)OC[C@H](C)Nc1ccc(CC#N)cc1	225717199	YQIIADVBKJYBBK-LBPRGKRZSA-N	232.327	2.978	30	50	BFEA	
CN1C=CC=C/C1=C/C=C1/C=CC=CC1=O	334157696	CCAGJVMUFYEMIQ-QKFASICWSA-N	211.264	2.507	30	50	BFEA	in-vitro
C=CCOC(F)(F)[C@@H](F)C(F)(F)F	4269689	ADXLBHULARLUSE-BYPYZUCNSA-N	208.101	2.682	30	50	BFEA	in-vitro
C[C@](C#N)(Nc1ccccc1)c1cccnc1	163534	HQAJLDUHPSSFDV-CQSZACIVSA-N	223.279	2.932	30	50	BFEA	
COc1cc([C@H](C#N)C(C)C)cc(OC)c1OC	389160	BATQRRPXKXQYAX-LLVKDONJSA-N	249.310	2.976	30	50	BFEA	
C=CCn1c(-c2ccccc2OC)n[nH]c1=S	503887	DPRJSPFDWWPZKN-UHFFFAOYSA-N	247.323	2.802	30	50	BFEA	
Cc1ccc(/N=C2/NC[C@@H](C)S2)cc1	972876	AOYUFMHJLUCTHN-SECBINFHSA-N	206.314	2.707	30	50	BFEA	
COc1ccc2c(C#N)c3ccccn3c2c1	1403741	XFTUIYAMZMOGOC-UHFFFAOYSA-N	222.247	2.973	30	50	BFEA	
N#Cc1ccccc1OCCCNC1CCCC1	2845375	WRCZQIVOPXJWRT-UHFFFAOYSA-N	244.338	2.859	30	50	BFEA	
O=C1/C(=C/[C@@H]2CCCO2)CC/C1=C\[C@H]1CCCO1	4547636	XVSALPHMDLRPHB-RHFVHGFOSA-N	248.322	2.560	30	50	BFEA	
N#Cc1ccc(NCc2ccccc2)c(N)c1	35674326	CPCGEBXSWQSQGA-UHFFFAOYSA-N	223.279	2.753	30	50	BFEA	in-vitro
Cc1noc2c1/C(=N\O)C[C@H](c1ccccc1)C2	100319758	CSKVXKKYZIJVKB-HTEPKEGRSA-N	242.278	2.891	30	50	BFEA	
C#CCN(C)C(=O)[C@H](C)Sc1ccc(C)cc1	491463740	OJFYKTZKWRWYOA-LBPRGKRZSA-N	247.363	2.567	30	50	BFEA	
CC(C)[C@@H](C)CN=C1NC[C@H](c2ccccc2)N1	2325790593	XCHQZPOIIUYSPY-GXTWGEPZSA-N	245.370	2.569	30	50	BFEA	
Cc1nc(-c2cccc(C#N)c2)ccc1O	2356162388	AVUCZSRNRHOQJW-UHFFFAOYSA-N	210.236	2.634	30	50	BFEA	
COc1cccc(/C=N/c2ccccc2O)c1O	2143549	SXGVUOBVHVIRCB-OQLLNIDSSA-N	243.262	2.857	30	50	BFEA	
C=CC[C@H]1CCCN(c2ncnc3[nH]ccc23)C1	664253417	LSDFXSACXXXECZ-NSHDSACASA-N	242.326	2.750	30	50	BFEA	
C[C@@H]1CCC[C@]1(C)CNc1cc[nH]c(=N)c1C#N	2325861379	OHCYXZSNTQJTLL-QMTHXVAHSA-N	244.342	2.604	30	50	BFEA	
CC1(C)[C@@]2(C#N)CC[C@@]1(C#N)CSC2	101094326	URNJKVHIYGBLBV-GHMZBOCLSA-N	206.314	2.573	30	50	BFEA	
C=CCCCN(C)C(=O)C[C@H](N)c1ccccc1	158160183	VWNNOCWFLRZPKO-AWEZNQCLSA-N	246.354	2.501	30	50	BFEA	
N#Cc1ccc(N2CCC[C@H]3CCC[C@H]32)nc1	228014773	RFKXHIMCXFETQB-CHWSQXEVSA-N	227.311	2.722	30	50	BFEA	
COC(F)(F)C(C(F)(F)F)C(F)(F)F	1999690	AQHKYFLVHBIQMS-UHFFFAOYSA-N	232.070	2.966	30	50	BFEA	in-vitro
Cc1cc(OC(F)(F)F)ccc1C#N	2382227	ZCRRKTDVMVDQTD-UHFFFAOYSA-N	201.147	2.765	30	50	BFEA	in-vitro
Cc1ccc(N/C=N/C(=O)c2ccco2)cc1	5570853	WYGHJNJDCVVKHO-UHFFFAOYSA-N	228.251	2.869	30	50	BFEA	
CC1(C)CC(=O)C(=CNC2CCCCC2)C(=O)C1	100244651	PSASDIVMMYZERL-UHFFFAOYSA-N	249.354	2.751	30	50	BFEA	
C=CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1	196261569	FUQIBDUEQXZBEY-UHFFFAOYSA-N	244.143	2.714	30	50	BFEA	
C=C1CCC(C(=O)N2CCO[C@@H]3CCC[C@@H]32)CC1	952992589	PJOMDLBYUNAELI-UONOGXRCSA-N	249.354	2.513	30	50	BFEA	
CC(=C/c1ccccc1)/C=N/n1c(C)nnc1C	5886304	CBBYAPSSTJJZJA-LFHBGGBDSA-N	240.310	2.832	30	50	BFEA	
N#Cc1cc(Cl)ccc1N1CCCC1	39075591	DKJNDNLAZJYFOP-UHFFFAOYSA-N	206.676	2.812	30	50	BFEA	
N#Cc1ccc([C@@H](O)c2cccc(F)c2)cc1	85483719	OBZFKUCGZVOHJQ-CQSZACIVSA-N	227.238	2.779	30	50	BFEA	in-vitro
N#Cc1ccc(CN[C@H]2CC[C@H](F)C2)cc1	309537142	XIUDIPQEBXUWLF-STQMWFEESA-N	218.275	2.538	30	50	BFEA	
C=CCc1c(C)c2ccc(O)cc2oc1=O	19093706	MOHWJKLCRPGLEN-UHFFFAOYSA-N	216.236	2.536	30	50	BFEA	in-vitro
C=CCn1ccnc1-c1cc(C)c(C)o1	71752695	BZTAAFZLNWWXCH-UHFFFAOYSA-N	202.257	2.946	30	50	BFEA	
COc1ccc2c(c1)CC1=C2CCCC1=O	71774194	GFRPITJQPCCPCF-UHFFFAOYSA-N	214.264	2.758	30	50	BFEA	
C[C@]1(C#N)CCCN(C2Cc3ccccc3C2)C1	670450502	JJFAFISUKAOGPZ-MRXNPFEDSA-N	240.350	2.779	30	50	BFEA	
C=C(CC(C)C)C(=O)N[C@H]1CCCSC1	1262554036	QGDIWBGZRQFFFA-NSHDSACASA-N	227.373	2.601	30	50	BFEA	
C=CCNC(=O)Nc1c(C)cccc1C	2171925	FDGYILNNOAYKLL-UHFFFAOYSA-N	204.273	2.611	30	50	BFEA	
C/N=C(\S)Nc1ccc(Br)cc1	8684784	RMHOFVOPHVEJKQ-UHFFFAOYSA-N	245.145	2.777	30	50	BFEA	aggregator
C/C(C[C@@H](O)c1ccc2ccccc2n1)=N\O	12410404	BRHKOJCUSVQRPC-GULXKOIASA-N	230.267	2.508	30	50	BFEA	
C=CCNC(=O)c1ccc(Cl)cc1Cl	1808051	GCEXIHJBPDKOON-UHFFFAOYSA-N	230.094	2.909	30	50	BFEA	
C=CCN(CC=C)C(=O)COc1cccc(C)c1	13331842	QTDXHJBFXNDBSR-UHFFFAOYSA-N	245.322	2.574	30	50	BFEA	
N#Cc1nc(Cl)ccc1C(F)(F)F	82046726	SQTMSBJBTATQID-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	in-vitro
C=CCCN[C@@H](C)c1nc2ccccc2n1C	136133310	CEITUJIOIWYZCR-NSHDSACASA-N	229.327	2.800	30	50	BFEA	
Cc1cc(Br)cc(C)c1C#N	5535168	LAYDFDMDUCVHBO-UHFFFAOYSA-N	210.074	2.938	30	50	BFEA	in-vitro
N#Cc1ccc(NC(=O)C2CC2)cc1Cl	8718298	WVXHCYVEVZPNHW-UHFFFAOYSA-N	220.659	2.560	30	50	BFEA	
CC(C)(C)OC(=O)Nc1cccc(C#N)c1	19518080	UEEFNFUJFIMRPZ-UHFFFAOYSA-N	218.256	2.905	30	50	BFEA	in-vitro
C1CC12CCC13CC[C@@]4(CO4)C21[C@@]1(CC3)CO1	45071532	DKOVEYNPQMTMHN-PIOWNMBXSA-N	232.323	2.659	30	50	BFEA	
C/C(=N/O)c1ccc(Br)cc1	100009513	AWJKRPKYUKWTJX-POHAHGRESA-N	214.062	2.647	30	50	BFEA	
CC(C)NC1=C(Cl)C(=O)c2ccccc2C1=O	100019424	ZOFLWMCFCUMANX-UHFFFAOYSA-N	249.697	2.514	30	50	BFEA	
C=C(C)CN1CCN(C2CCCCC2)CC1	163243659	GBINBDGVKVWCSN-UHFFFAOYSA-N	222.376	2.513	30	50	BFEA	
CC[C@]1(c2cccc(Cl)c2)O[C@@H]1C#N	307540549	WHPRCJPOYOQNLK-GHMZBOCLSA-N	207.660	2.868	30	50	BFEA	
N#Cc1ccc(Oc2ccc(C=O)cn2)cc1	169733	AQJFLLNUQBDTIN-UHFFFAOYSA-N	224.219	2.558	30	50	BFEA	in-vitro
C=CCN1C(=O)S/C(=C/c2ccccc2)C1=O	6262004	HRPXYWVUPAZIOO-PKNBQFBNSA-N	245.303	2.909	30	50	BFEA	
CCC(=O)C1=C(O)C[C@@H](c2ccccc2)CC1=O	100701812	HZVVLXRWSWDFOS-LLVKDONJSA-N	244.290	2.924	30	50	BFEA	
c1ccc2c(c1)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25C[C@@H]6O[C@@H]6C[C@]12[C@H]5[C@H]34	254301515	QOAVIKPCPRLNQD-RHTCXOJASA-N	248.325	2.921	30	50	BFEA	
N#Cc1cc(Oc2ccc3c(c2)CCC3)ncn1	170087332	ZBQJULZLHPIWTO-UHFFFAOYSA-N	237.262	2.629	30	50	BFEA	
N#Cc1cccc2c1[C@@H]1[C@@H]3[C@@H]4C=C[C@@H]4[C@@H]2[C@H]13	247661716	SPIAMXPAJFUTRW-HSIZDUNOSA-N	205.260	2.801	30	50	BFEA	
N#Cc1cnn(CC2CCC(F)(F)CC2)c1	334575618	DLINMDFBCCWLAY-UHFFFAOYSA-N	225.242	2.580	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)N=c1[nH][nH]c(C(C)C)c1C	585089951	PJNBYQGYIMNPJS-JTQLQIEISA-N	249.358	2.804	30	50	BFEA	
N#Cc1c(Cl)cc(Cl)cc1C=O	1772770462	SOINUGMGTDCWON-UHFFFAOYSA-N	200.024	2.678	30	50	BFEA	
CC1(C)CC(C)(CNc2cc[nH]c(=N)c2C#N)C1	2325861142	GVEPCEJYBJXQLQ-UHFFFAOYSA-N	244.342	2.604	30	50	BFEA	
Cn1cccc1[C@H](C#N)c1cccc(F)c1C#N	167321	WNKVQLPPLKLOOG-GFCCVEGCSA-N	239.253	2.691	30	50	BFEA	
O=C1C=CC(=O)c2c1ccc1ccccc21	1734353	POZPGRADIOPGIR-UHFFFAOYSA-N	208.216	2.775	30	50	BFEA	
C=CCNC(=O)Nc1c(C)cccc1Cl	2171973	ADFITOMCOHLXBR-UHFFFAOYSA-N	224.691	2.956	30	50	BFEA	
C=CCN(CC=C)CCOc1cccc(OC)c1	20272224	VSHXUTXNKMZYOC-UHFFFAOYSA-N	247.338	2.748	30	50	BFEA	
C/C(Nc1ccccc1C)=C1\C(=O)CSC1=O	100319922	MFSMVGUQHOOSGE-XFXZXTDPSA-N	247.319	2.523	30	50	BFEA	
C=C/C(O)=N/C[C@@H]1CCN(C)c2ccccc21	328600737	ZJKHLHFJBLOGPM-NSHDSACASA-N	230.311	2.753	30	50	BFEA	
CSc1cc(-c2ccccc2)[nH]c(=O)c1C#N	13597585	LMJDNUBVFKYAGS-UHFFFAOYSA-N	242.303	2.635	30	50	BFEA	
CC(C)(C)OC(=O)N(CC#N)Cc1ccccc1	82610204	WFDVAVVROGYTHW-UHFFFAOYSA-N	246.310	2.947	30	50	BFEA	
C#C[C@]1(N(C)C)C(C)(C)[C@H]2CC[C@@]1(C)C2	104119924	MHBYLNVHCBMXIV-UBHSHLNASA-N	205.345	2.766	30	50	BFEA	
O/N=C(/Cl)c1ccccc1OC(F)(F)F	207950461	LCZKSSFWTSEFBD-NTUHNPAUSA-N	239.580	2.960	30	50	BFEA	
O=CC1(c2ccccc2Cl)CCOCC1	12359743	VLDLOMXOOPWPHR-UHFFFAOYSA-N	224.687	2.587	30	50	BFEA	in-vitro
C=CCNCCOc1ccc(CCC)cc1OC	16488728	YQQBHBHPIBAJTP-UHFFFAOYSA-N	249.354	2.802	30	50	BFEA	
C=C(C)C(=O)Oc1c(F)c(F)cc(F)c1F	34100163	DDQNBJUNTSWDDM-UHFFFAOYSA-N	234.148	2.725	30	50	BFEA	in-vitro
O/N=C/c1c[nH]nc1-c1ccc(Cl)cc1	40457304	YTQVKWAXAMQQNU-AWNIVKPZSA-N	221.647	2.538	30	50	BFEA	
CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1C	124248	KRWNNYXEKJJWCT-QMMMGPOBSA-N	247.338	2.732	30	50	BFEA	
N#Cc1cc2c(ccc3ccccc32)oc1=N	3898097	KPTYBJVHTZXOAP-UHFFFAOYSA-N	220.231	2.937	30	50	BFEA	
C=CCNCc1cc(Cl)ccc1OC	6698033	ONIMDBVKDDHJJL-UHFFFAOYSA-N	211.692	2.624	30	50	BFEA	
Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C	169935835	HWIMTTLCFONAAB-UHFFFAOYSA-N	232.132	2.603	30	50	BFEA	in-vitro
CCOC(=O)[C@]1(CC)O[C@@]1(C)[C@H](C)CC	252579735	ONAFDEUHKMTQFO-USWWRNFRSA-N	214.305	2.533	30	50	BFEA	
C[C@]1(c2cccc(C(F)(F)F)c2)O[C@@H]1C#N	380519346	WLASYEUJPNECQM-NXEZZACHSA-N	227.185	2.843	30	50	BFEA	
N#Cc1ccccc1-c1noc(C2CCC2)n1	725273554	KRLALDJVEZHADD-UHFFFAOYSA-N	225.251	2.876	30	50	BFEA	
O=C1C=C(Nc2ccc(F)cc2)CCC1	4265257	CVWCZFGLTFWSEK-UHFFFAOYSA-N	205.232	2.875	30	50	BFEA	biogenic
N#Cc1c(N)sc(=S)c2c1CCCC2	5567003	ZTVYCPUACCAUGH-UHFFFAOYSA-N	222.338	2.810	30	50	BFEA	
CC(C)(C)OC(=O)Cc1ccc(F)c(C#N)c1	35287363	KQFYNURGIZFXQL-UHFFFAOYSA-N	235.258	2.582	30	50	BFEA	
C=C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H](O)[C@@]21CCCO1	43198672	REYAQYKDCFRZMF-MXYBEHONSA-N	236.355	2.909	30	50	BFEA	
O=C1/C(=C/c2cccnc2)Cc2cc(O)ccc21	187228926	TZEFNTDEQAFOEX-WUXMJOGZSA-N	237.258	2.610	30	50	BFEA	
Cc1ccc(C)c(/C(O)=N/[C@H]2CC[C@@H](O)C2)c1	328591946	GQACQLHELKIOLF-NWDGAFQWSA-N	233.311	2.521	30	50	BFEA	
C=C1C[C@@H]1C(=O)N1CCCC[C@@H](SCC)C1	585132199	QKOGOKWZALREJH-NEPJUHHUSA-N	239.384	2.697	30	50	BFEA	
C=C1CCN(CC[C@@H]2CCCCN2C)CC1	253418848	BBYZCFSLSJAGAR-AWEZNQCLSA-N	222.376	2.513	30	50	BFEA	
Cc1cc(C#N)nc(N2CC(C)(C)[C@@H]2C(C)C)n1	292637103	FOVJOOKUFQIEOF-LBPRGKRZSA-N	244.342	2.528	30	50	BFEA	
N#Cc1ccsc1NC(=O)c1ccccc1	130286	UYXFBYOJMQUYNV-UHFFFAOYSA-N	228.276	2.872	30	50	BFEA	
CC1CCN(c2ccc(C#N)cc2F)CC1	859694	ITLCFWXBIBNKRN-UHFFFAOYSA-N	218.275	2.934	30	50	BFEA	
N#Cc1ccc(NC2CCCCC2)nc1	12913654	XCBTYAFGHLCLJM-UHFFFAOYSA-N	201.273	2.698	30	50	BFEA	
CC1(C)[C@@H]2C=C(C[C@H](O)[C@@H]3CO3)[C@@]1(C)CC2	43198774	LQAFXQTYXRNOOU-QVSJOPQTSA-N	222.328	2.519	30	50	BFEA	
Cc1cccc(CN2CCC[C@](C)(C#N)C2)n1	612165037	IECOREYRNLJEAV-CQSZACIVSA-N	229.327	2.516	30	50	BFEA	
CN(C)c1ccc(/C=N/Cc2ccncc2)cc1	19808693	HQTOVXNLEFHZOL-GZTJUZNOSA-N	239.322	2.767	30	50	BFEA	
COc1cccc(F)c1-c1cc(C#N)ccn1	65395470	HYTQNOYYJYMEAZ-UHFFFAOYSA-N	228.226	2.768	30	50	BFEA	
CC(C)(C)OC(=O)NCC#Cc1cccc(F)c1	170619915	DEJGASVSFCQXFT-UHFFFAOYSA-N	249.285	2.702	30	50	BFEA	
Cc1c(F)cc(Br)cc1C#N	306728948	CINWHDLNTYRKSR-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	
N#C[C@@H]1CC[C@H](N2CC[C@@H](c3ccncc3)C2)C1	571578328	IJRIRIVJFINNFM-YUELXQCFSA-N	241.338	2.563	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)Nc1cnn(C)c1Cl	585127698	HJHZENCJIQOETO-QMMMGPOBSA-N	241.722	2.614	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC[C@H](C#N)CC1	57354184	GWIFZKJNRMQRJU-JTQLQIEISA-N	224.304	2.547	30	50	BFEA	in-vitro
C=CCN(C)C(=O)Nc1cccc(F)c1F	156904789	OZVCNTYYWRLHTR-UHFFFAOYSA-N	226.226	2.615	30	50	BFEA	
C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(O)c1	282255039	JQVJPVQSSRUJML-DMDPSCGWSA-N	230.311	2.735	30	50	BFEA	
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@@H]21	30726283	KTEXNACQROZXEV-SLXBATTESA-N	248.322	2.762	30	50	BFEA	biogenic,investigational
CC[C@H](CSC)Nc1ccc(C#N)nc1	135521349	IUWKUXYXIXIGCY-SECBINFHSA-N	221.329	2.507	30	50	BFEA	
N#Cc1c(F)cc(F)cc1OC(F)(F)F	263624496	RAQOCTIYNSNFMA-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
N#Cc1ccc(CN[C@@H]2CC[C@@H](F)C2)s1	308884348	RWVYXJUVEFRUKP-RKDXNWHRSA-N	224.304	2.600	30	50	BFEA	
C=C(C)C[C@@H]1C=CC[C@H](CC(=C)C)N1CCO	34528955	IVXINRRYVFFQLP-LSDHHAIUSA-N	235.371	2.910	30	50	BFEA	
C=CCN(C(=O)c1ccccc1NC)C(C)C	42032761	TWIIFJZJSIVSDZ-UHFFFAOYSA-N	232.327	2.765	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@@]1(C)C(C)C	211997824	LAHJKJARQPXKBG-RYUDHWBXSA-N	214.305	2.533	30	50	BFEA	
N#Cc1ccccc1C=Cc1ccnnc1	1857530114	OHVAPXTZKAHMKU-UHFFFAOYSA-N	207.236	2.519	30	50	BFEA	
CCCOc1ccc(/C=N/O)cc1OCC	16819012	DCFOJIXHXJOQBI-UKTHLTGXSA-N	223.272	2.682	30	50	BFEA	
ClC(Cl)(Cl)[C@]1(C2CC2)CO1	64038142	CPEPDVGKTJJWIK-RXMQYKEDSA-N	201.480	2.536	30	50	BFEA	
N#Cc1ccc(NC[C@H]2CCC=CO2)c(F)c1	168279805	IROGKCODSGZJOH-LLVKDONJSA-N	232.258	2.802	30	50	BFEA	
CSc1c(Cl)cc([N+](=O)[O-])cc1C#N	169725196	ZYAAYRNKNWUCBZ-UHFFFAOYSA-N	228.660	2.842	30	50	BFEA	
N#Cc1cccc2c1CN(CCc1ccncc1)C2	405061167	CZDDEFYLLZFHMQ-UHFFFAOYSA-N	249.317	2.512	30	50	BFEA	
CC(C)(O)C#Cc1ccc(Br)cc1	3101836	PYMSTKBGLPACHI-UHFFFAOYSA-N	239.112	2.572	30	50	BFEA	
Cc1ccc(C(=O)C[n+]2cccc(C)c2C)cc1	3130472	YMJZFWDFZKSGTD-UHFFFAOYSA-N	240.326	2.782	30	50	BFEA	
N#C[C@H](c1ccc(F)cc1)c1ccc(Cl)nn1	15442823	LNBFRLKKHZPRRS-SNVBAGLBSA-N	247.660	2.925	30	50	BFEA	
CC(=O)/C(Cl)=N\Nc1cccc(Cl)c1	95686607	DRQRXNVIADUUCG-UKTHLTGXSA-N	231.082	2.893	30	50	BFEA	
COc1cc2nccc(Cl)c2cc1C#N	117456981	PCDQEBQGDAXMLI-UHFFFAOYSA-N	218.643	2.768	30	50	BFEA	
C=CCN1CCC(NCCC(C)(C)C)CC1	187823581	NHYHOGBGXKFUSC-UHFFFAOYSA-N	224.392	2.663	30	50	BFEA	
C=C1CCC[C@@]2(C)C[C@@]3(O)OC(=O)C(C)=C3C[C@H]12	14452259	FBMORZZOJSDNRQ-BYCMXARLSA-N	248.322	2.705	30	50	BFEA	biogenic,in-vitro
C#CCSc1ccc(C(C)=O)cc1OC	225443357	HJVAKILQGAWVRO-UHFFFAOYSA-N	220.293	2.623	30	50	BFEA	
N#Cc1ccc(NCc2cc(F)cc(F)c2)cn1	334192912	JBHHYJVCRNQCJK-UHFFFAOYSA-N	245.232	2.844	30	50	BFEA	
COc1ccc(OC(F)(F)F)cc1CC#N	2540361	PYMJZXVYXJIZQJ-UHFFFAOYSA-N	231.173	2.660	30	50	BFEA	
Cc1ccc(Cl)cc1C#CC(C)(C)O	38537915	KLSFKKMBWWUESP-UHFFFAOYSA-N	208.688	2.771	30	50	BFEA	
CN(C)/C=C1\Cc2cc(Cl)ccc2C1=O	71773869	DBUBDNKBWKIPQJ-VQHVLOKHSA-N	221.687	2.524	30	50	BFEA	
C=CCCCC(=O)CCCCCC(=O)O	3074814	CDSFEDLMFNBDBT-UHFFFAOYSA-N	212.289	2.947	30	50	BFEA	
COc1ccc(-c2ccc(C#N)c(OC)n2)cc1	3128458	LGHXMVLAIYZGET-UHFFFAOYSA-N	240.262	2.637	30	50	BFEA	
O/C(=N\N=C\c1ccc(F)cc1)c1ccncc1	3585806	SVYYQPLGBPBEQO-CXUHLZMHSA-N	243.241	2.559	30	50	BFEA	
CC(C)(O)C(=O)/C=C/c1ccc(Cl)cc1	12381157	YLFOBBZLMNRQNL-VMPITWQZSA-N	224.687	2.693	30	50	BFEA	
C[Si](C)(C)C#Cc1cc(F)cc(F)c1N	169746779	GDOZAEFORBJZEY-UHFFFAOYSA-N	225.314	2.776	30	50	BFEA	
Fc1cc(OC[C@H]2CO2)cc(-c2cccnc2)c1	1875390089	WHLWDAYTAWRDFW-AWEZNQCLSA-N	245.253	2.665	30	50	BFEA	
Cc1cc(C)c([C@]2(C)O[C@H]2C#N)c(C)c1	306449611	AUSKDPCYHIVXKT-WCQYABFASA-N	201.269	2.749	30	50	BFEA	
Cc1ccc(/N=C/c2ccc[nH]2)c(O)c1	13131028	FHXINBDOKQAZCX-RIYZIHGNSA-N	200.241	2.779	30	50	BFEA	
CC[C@@](C)(C#N)C(=O)Nc1ccc(F)cc1	136174174	OFQIYQPAHWNDSQ-LBPRGKRZSA-N	220.247	2.704	30	50	BFEA	
CN(C)c1ccc(C#C[Si](C)(C)C)cc1	169877027	CTEFXFPTVUQSHR-UHFFFAOYSA-N	217.388	2.982	30	50	BFEA	
CN1C=CC=C/C1=C/C=C1\C=CC=CC1=O	334157690	CCAGJVMUFYEMIQ-FMYPVGJQSA-N	211.264	2.507	30	50	BFEA	in-vitro
CC1(C)C[C@]1(C#Cc1ccccc1)C(=O)O	255858	PUQSZRKIOJBRFJ-CQSZACIVSA-N	214.264	2.539	30	50	BFEA	
Fc1ccccc1/C=N/Nc1ccccn1	4981702	MUHHHHRXKKYUAI-OQLLNIDSSA-N	215.231	2.667	30	50	BFEA	
N#Cc1ncc(C(F)(F)F)cc1N=[N+]=[N-]	13397022	FAXWNPFAIHNXSD-UHFFFAOYSA-N	213.122	2.914	30	50	BFEA	in-vitro
C[C@H]1CC(C=O)C[C@H](C)N1Cc1ccccc1	307674845	DRTZROGRXLURID-STQMWFEESA-N	231.339	2.875	30	50	BFEA	
N#C[C@@H](NC(=O)C1CCCC1)c1ccc(F)cc1	336596422	XXVLQBRFDSOHLB-CYBMUJFWSA-N	246.285	2.697	30	50	BFEA	
COc1cc(-c2ccc(CC#N)cc2)ccn1	725242671	STBFJMIQYNQMOX-UHFFFAOYSA-N	224.263	2.823	30	50	BFEA	
CC#CC(=O)N[C@@H]1CC[C@@H](C)c2ccccc2C1	1875369815	JORUTPQFHZWMEL-TZMCWYRMSA-N	241.334	2.635	30	50	BFEA	
Cc1ccc(C#N)c(SCc2cccnc2)n1	335556	LEPDUOMTPBNLQB-UHFFFAOYSA-N	241.319	2.949	30	50	BFEA	
C=CCC(=O)N(CC=C)Cc1cccc(OC)c1	55099013	UWLWNKIZGNJAEX-UHFFFAOYSA-N	245.322	2.786	30	50	BFEA	
C=CCCCNC(=O)c1csc(C)c1	241588381	PCRIDMGHGSSXHM-UHFFFAOYSA-N	209.314	2.753	30	50	BFEA	
C=C(C)Cn1c(C(C)(C)O)nc2ccccc21	8785909	ZTSKMRCZTCBJLP-UHFFFAOYSA-N	230.311	2.840	30	50	BFEA	
Cc1ncn(Cc2ccc(C#N)c(F)c2)c1C	188122730	PGEZHANDFFPNJF-UHFFFAOYSA-N	229.258	2.559	30	50	BFEA	
C=C1[C@H]2[C@@H](O)OC[C@H]3[C@H]2[C@@H](C(C)C)CC[C@@]13C	256966326	RVFULFDTCDRKNZ-QLKXBERHSA-N	236.355	2.826	30	50	BFEA	biogenic
CN1C=CC=C/C1=C\C=C1C=CC(=O)C=C1	334156990	WLHKMTNVCBYKQU-MDWZMJQESA-N	211.264	2.507	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)NC1(C)CC=CC1	585090846	QPPMAAVRSPGRTB-NSHDSACASA-N	207.317	2.814	30	50	BFEA	
N#Cc1ccc(-c2nc3cc(C#N)ccc3[nH]2)cc1	105668503	JNLJKTGFGYSDIO-UHFFFAOYSA-N	244.257	2.973	30	50	BFEA	
C=CCC[C@H](C)Nc1ccc(CCO)cc1OC	289801803	SJMVNQLFMUZOCB-LBPRGKRZSA-N	249.354	2.997	30	50	BFEA	
C=CCCN[C@H](C)c1nc2ccccc2n1C	136133344	CEITUJIOIWYZCR-LLVKDONJSA-N	229.327	2.800	30	50	BFEA	
CC(=O)[C@H](C#N)c1cccc(Br)c1	37409262	YNSRFDBOLZEERT-JTQLQIEISA-N	238.084	2.645	30	50	BFEA	in-vitro
CN1CC=C(c2c[nH]c3cc(C#N)ccc23)CC1	169677494	QLJMWTYZMRDCLL-UHFFFAOYSA-N	237.306	2.758	30	50	BFEA	
CCOC(=O)c1c(C)[nH]c2cc(C#N)ccc12	261264415	GVNDABUBOUBKTE-UHFFFAOYSA-N	228.251	2.525	30	50	BFEA	
O[C@H](C#Cc1ccccc1)c1cccs1	439686	JOYLAXKLSFKRDD-GFCCVEGCSA-N	214.289	2.833	30	50	BFEA	
C=CCSc1nc2c(cc1C#N)CCC2	11535911	HHSRNDOKVLIYLS-UHFFFAOYSA-N	216.309	2.720	30	50	BFEA	
Cc1cc(F)c(C#N)cc1Br	72233100	QTPIMXBTXKQSFZ-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
CCc1cccc(B2OC(C)(C)C(C)(C)O2)c1	169807411	HGQJLAFYLXBEMB-UHFFFAOYSA-N	232.132	2.548	30	50	BFEA	in-vitro
N#Cc1ccc([C@H]2CCCc3cncn32)cc1	1851916	CLPFFLWZZBQMAO-CQSZACIVSA-N	223.279	2.680	30	50	BFEA	biogenic,in-man
C=C[C@@H]1CC1(Br)Br	86016273	RTBUVGWEJCPSFF-SCSAIBSYSA-N	225.911	2.678	30	50	BFEA	
N#Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	172009	CMKOTLZKPXMTBM-UHFFFAOYSA-N	214.180	2.726	30	50	BFEA	
O=C1C2=C(C(=O)c3ccccc31)[C@H]1CC[C@H]2C1	100080762	IVURNAYIUXKZSY-IUCAKERBSA-N	224.259	2.792	30	50	BFEA	
N#CCc1cc(C(F)(F)F)cnc1Cl	238578762	ZOCFBRDADSSZGF-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
CCCCOc1ccc(C#N)c(C#N)c1	2522726	AVGCGXBXMPWLOW-UHFFFAOYSA-N	200.241	2.609	30	50	BFEA	in-vitro
C#Cc1ncc(C(F)(F)F)cc1Cl	32911360	MGBAONQLGHVNRS-UHFFFAOYSA-N	205.566	2.735	30	50	BFEA	
CCN(CCC#N)c1ccc(C=O)c(C)c1	1847834	VTXVKMVZEXXUIC-UHFFFAOYSA-N	216.284	2.548	30	50	BFEA	
N#Cc1c(-c2ccc(Cl)cc2)cc[nH]c1=O	4024327	GKRJTJFDIJVNED-UHFFFAOYSA-N	230.654	2.567	30	50	BFEA	
CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C#N	35287644	YFUICMOSRQSXTO-LLVKDONJSA-N	244.294	2.876	30	50	BFEA	
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](C#N)C2	102234982	UVURMTGIVKSLEM-JGPRNRPPSA-N	236.315	2.688	30	50	BFEA	
C=C(CC)C[C@@]1(C(=O)OC)C(=O)CC[C@H]1C	43762252	SPJZHRHQGLPOIV-MFKMUULPSA-N	224.300	2.501	30	50	BFEA	
C=CCNc1ccccc1C(=O)N1CCC[C@H]1C	65503617	DAWDBCJSIJDLTJ-GFCCVEGCSA-N	244.338	2.909	30	50	BFEA	
Cc1ncn(Cc2ccc(F)c(C#N)c2)c1C	176860178	VTZAASQHANEYDG-UHFFFAOYSA-N	229.258	2.559	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@]1(C)[C@@H](C)CC	212073936	HGWBOZRGHRMLBC-CYZMBNFOSA-N	228.332	2.923	30	50	BFEA	
C=CC(=O)N(CC(C)C)c1ccc(C#N)cc1	1875366042	ZDQMQHWCXBZWOH-UHFFFAOYSA-N	228.295	2.733	30	50	BFEA	
O=C1C(=Cc2ccco2)C(=O)c2ccccc21	76018	IVGUVWKWSGCMLD-UHFFFAOYSA-N	224.215	2.742	30	50	BFEA	
C#CCCCCCNC(=O)OC(C)(C)C	238137969	DDSWEPQENPIPFI-UHFFFAOYSA-N	211.305	2.705	30	50	BFEA	
N#C[C@H]1CC[C@H](N2CCC(C(F)F)CC2)C1	336023660	CSGWRERPDHEXMB-ONGXEEELSA-N	228.286	2.656	30	50	BFEA	
Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1	584645611	AGHHRSXGOHENRR-UHFFFAOYSA-N	238.161	2.664	30	50	BFEA	
CCCc1ccc2c(N)c(C#N)sc2n1	759000	GYGOURSCOXDJNU-UHFFFAOYSA-N	217.297	2.703	30	50	BFEA	
Nc1ccc(C(=O)/C=C/c2ccncc2)cc1	25664279	RCUGSZKISDCJQH-LZCJLJQNSA-N	224.263	2.560	30	50	BFEA	
O/N=C(C(=N/O)/c1ccccc1)\c1ccccc1	12358665	JJZONEUCDUQVGR-WXUKJITCSA-N	240.262	2.743	30	50	BFEA	
O/N=C1\CC[C@@H]2CN(C3CCCCC3)C[C@@H]2C1	13154725	LTSLFNBPLYFMAG-JMTOIOOESA-N	236.359	2.881	30	50	BFEA	
CC#CC(=O)N[C@H]1CC[C@@H](C)c2ccccc2C1	1875369814	JORUTPQFHZWMEL-OCCSQVGLSA-N	241.334	2.635	30	50	BFEA	
C#CCN(C)C(=O)[C@@H](C)Sc1ccc(C)cc1	491463739	OJFYKTZKWRWYOA-GFCCVEGCSA-N	247.363	2.567	30	50	BFEA	
COc1ccc2cc(/C=N/OC(C)=O)ccc2c1	295795	KKCQVKFHOWKJPK-OQLLNIDSSA-N	243.262	2.745	30	50	BFEA	
CC(C)(C)C(=O)c1ccc(CC#N)cc1	398491	MFQJXKDJOOKCAN-UHFFFAOYSA-N	201.269	2.981	30	50	BFEA	
N#Cc1cc(-c2ccccc2)nnc1Cl	1387393	NYUXYSKLVIYNMD-UHFFFAOYSA-N	215.643	2.669	30	50	BFEA	in-vitro
O=C1/C(=C/N2CCCCC2)Nc2ccccc21	17835960	YRVMOPAGSAXTTF-RAXLEYEMSA-N	228.295	2.622	30	50	BFEA	
Cc1ccc2nc(-c3cnn(C)c3)cc(C#N)c2c1	1875330501	QPMSVSOTRCQMNS-UHFFFAOYSA-N	248.289	2.815	30	50	BFEA	
C=CCN(CC=C)C(=O)[C@H](C)Oc1ccccc1	30543	XLKXPMHCSGYIPC-ZDUSSCGKSA-N	245.322	2.655	30	50	BFEA	
Brc1ccc(/N=C2/CCCN2)cc1	3079005	YJAOUUBKCIDGCN-UHFFFAOYSA-N	239.116	2.863	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@@]1(C)[C@@H](C)CC	212074052	HGWBOZRGHRMLBC-WCFLWFBJSA-N	228.332	2.923	30	50	BFEA	
COc1ccc(Oc2ccc(C#N)nc2)cc1	129285316	BOMDOHJJXRMXNK-UHFFFAOYSA-N	226.235	2.754	30	50	BFEA	
COC1=CC(=O)[C@@H]2[C@@H]1[C@H]1CC[C@H]2C1=C(C)C	257358738	WCQTUYNZJTUGAZ-QYAIJTBZSA-N	218.296	2.708	30	50	BFEA	
N#Cc1ccc2nc(-c3ccccc3)cn2c1	387396	FMGMAYUWGRFWLT-UHFFFAOYSA-N	219.247	2.873	30	50	BFEA	
N#CCSCC(=O)Nc1ccc(Cl)cc1	1892647	DIXZMFBEMUCYOV-UHFFFAOYSA-N	240.715	2.535	30	50	BFEA	
Cc1nn(C)cc1/C=C/C(=O)c1cccs1	4651914	AURXODWECZEMDG-AATRIKPKSA-N	232.308	2.686	30	50	BFEA	
CC(C)=NOC(=O)OCc1ccccc1	4975977	YAECLTQWHQOIQR-UHFFFAOYSA-N	207.229	2.736	30	50	BFEA	
C#CCSc1nc2ccc(OCC)cc2[nH]1	5799662	COTIVCVCVWFPTF-UHFFFAOYSA-N	232.308	2.687	30	50	BFEA	
O=C(/C=C/c1cccnc1)c1ccc(O)cc1	13122613	JRNSRWHZOUBRQN-FPYGCLRLSA-N	225.247	2.683	30	50	BFEA	
C=CCCO[C@H](C)C(=O)N1CCCCCCC1	125064056	LHHWZXAGALNKCX-CYBMUJFWSA-N	239.359	2.760	30	50	BFEA	
CCn1cc(OCc2ccc(C#N)cc2C)cn1	166404935	HYASNODDYKTWNL-UHFFFAOYSA-N	241.294	2.662	30	50	BFEA	
C#CCCCCC(=O)N1CCC[C@@H]1CSC	180411254	ARXXSZXVANTWQK-GFCCVEGCSA-N	239.384	2.534	30	50	BFEA	
COc1cccc2c(N(C)CCC#N)ccnc12	193480219	QIUSLQVNWIDWJR-UHFFFAOYSA-N	241.294	2.593	30	50	BFEA	
C[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N	6248366	RUIZUCCFRARZAT-JTQLQIEISA-N	245.282	2.845	30	50	BFEA	
C=CCN(CCOc1ccccc1)C1CC1	95918101	BELVDFUMWPNCFP-UHFFFAOYSA-N	217.312	2.716	30	50	BFEA	
N#Cc1ccc2[nH]c(-c3ccco3)nc2c1	96874441	YYOGXTRQEAGSJK-UHFFFAOYSA-N	209.208	2.695	30	50	BFEA	in-vitro
CN(C)/C=C/C(=O)c1cccc(Cl)c1	142438	LDBZHHVGVAIVBT-VOTSOKGWSA-N	209.676	2.598	30	50	BFEA	in-vitro
Cc1cc(-c2ccccc2)n2ncc(C#N)c2n1	794228	YLUWQESESYCEMX-UHFFFAOYSA-N	234.262	2.576	30	50	BFEA	aggregator
C=CC(=O)N[C@@H](c1ccc(F)c(C#N)c1)C(C)C	1875376363	ULEZZZTVBBYDFG-CQSZACIVSA-N	246.285	2.697	30	50	BFEA	
N#Cc1c(Cl)ccc([N+](=O)[O-])c1Cl	157087	NSKVWZIEYFSHIM-UHFFFAOYSA-N	217.011	2.773	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)O/N=C(/C#N)c1ccccc1	1574049	QQWYQAQQADNEIC-PTNGSMBKSA-N	246.266	2.866	30	50	BFEA	
Cc1ccc(Oc2cnc(C#N)cn2)cc1F	192575659	MITBCSVLQXOICZ-UHFFFAOYSA-N	229.214	2.588	30	50	BFEA	
CC1(C)OB(/C=C/C2CCOCC2)OC1(C)C	306788881	XNDFSDONEUAXBI-VMPITWQZSA-N	238.136	2.601	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)Nc1cnsc1	585127336	XNNQZKSRQGKYGM-MRVPVSSYSA-N	210.302	2.684	30	50	BFEA	
CN(C(=O)OC(C)(C)C)C1CCC2(CC1)CO2	306650600	BXYFSAGQVHVMEU-UHFFFAOYSA-N	241.331	2.565	30	50	BFEA	
O=C1C(=C2CCCC2)Oc2cc(O)ccc21	334161334	ZALBXHZLDCZREA-UHFFFAOYSA-N	216.236	2.795	30	50	BFEA	biogenic
CC1(C)CCc2ccc(OC[C@H]3CO3)cc2O1	1875379192	OBXHLLQHDWCXMB-LBPRGKRZSA-N	234.295	2.568	30	50	BFEA	
N#CCc1ccc(OC(F)(F)F)cc1	2169762	LYFCAROXYJTUQF-UHFFFAOYSA-N	201.147	2.651	30	50	BFEA	in-vitro
CCC[C@@H](C)[C@](C#N)(CC)C(=O)OCC	2569833	FOGOQVLUCORCHH-ZYHUDNBSSA-N	211.305	2.906	30	50	BFEA	
O[C@H]1Cc2ccccc2C#Cc2ccccc21	113446244	VEKJQXKBHZVGBK-INIZCTEOSA-N	220.271	2.676	30	50	BFEA	in-vitro
C=C[C@@H](C)OC(=O)c1cc(C(C)=O)cs1	187509964	CXAPVCQJCYHXBB-SSDOTTSWSA-N	224.281	2.682	30	50	BFEA	
CC1(C)OB(C2=C[C@H]3CC[C@H]2C3)OC1(C)C	306238237	RDRIINBHGGSOPA-UWVGGRQHSA-N	220.121	2.974	30	50	BFEA	
CC(=O)Nc1ccc(NC2=CC(=O)CCC2)cc1	5186348	DZVWBYQERAOXQQ-UHFFFAOYSA-N	244.294	2.694	30	50	BFEA	
C[C@@H](C#N)Sc1ncc(C(C)(C)C)o1	129966334	DLZIKHFRQOOQJV-ZETCQYMHSA-N	210.302	2.976	30	50	BFEA	
N#Cc1ccc(NC2CC2)c(Br)c1	138635879	WDQGOORIULAYFD-UHFFFAOYSA-N	237.100	2.895	30	50	BFEA	
CC[C@H]1CC[C@H](C(=O)N(CC#N)C(C)C)CC1	252519030	ASYYIKXARAJKPX-JOCQHMNTSA-N	236.359	2.963	30	50	BFEA	
N#Cc1c(Br)cc(F)c(F)c1F	1857779290	ASUKAOLZKNKPDI-UHFFFAOYSA-N	235.990	2.738	30	50	BFEA	
Cc1nc(Oc2ccccc2C#N)ncc1F	2325865362	ZKXXPUKPTZKHAW-UHFFFAOYSA-N	229.214	2.588	30	50	BFEA	
CCc1nnc(/N=C/c2ccc(O)cc2)s1	40348	BAVCKFQNSXDYSV-KPKJPENVSA-N	233.296	2.557	30	50	BFEA	
C=CCNC(CCC)=C1C(=O)CC(C)(C)CC1=O	100475300	GWSITGCIXKESED-UHFFFAOYSA-N	249.354	2.774	30	50	BFEA	
N#CCc1ccc(Br)s1	334102	ZFTILCZVZSZDLI-UHFFFAOYSA-N	202.076	2.577	30	50	BFEA	in-vitro
N#Cc1ccc(-c2ccc(O)c(C#N)c2)cc1	1512261	HSXFHKWCOPMRIQ-UHFFFAOYSA-N	220.231	2.803	30	50	BFEA	in-vitro
C=CCN(CC=C)C(=O)[C@@H](C)Oc1ccccc1	30544	XLKXPMHCSGYIPC-CYBMUJFWSA-N	245.322	2.655	30	50	BFEA	
CSC(N=CN(C)C)=Nc1ccccc1F	334157446	KBIOJRINECCUEA-UHFFFAOYSA-N	239.319	2.766	30	50	BFEA	
C#C[C@@](C)(CC)NC(=O)c1ccc(Cl)cc1	99721	RZNCHSQULBAJPY-ZDUSSCGKSA-N	235.714	2.872	30	50	BFEA	
N#Cc1ccc(-c2cccnc2)[nH]c1=S	283288	PREZJTKROSTHFW-UHFFFAOYSA-N	213.265	2.678	30	50	BFEA	
C/N=C(\O)c1ccc(C(F)(F)F)cc1F	200953049	OLCDIAITVHRPNL-UHFFFAOYSA-N	221.153	2.779	30	50	BFEA	
Cc1ccccc1/N=C1\NC[C@H](C)S1	135005	NMDZRTMSJGRLJV-VIFPVBQESA-N	206.314	2.707	30	50	BFEA	
CCCCCCCCCS(=O)(=O)O	80135680	ZGAZPDWSRYNUSZ-UHFFFAOYSA-N	208.323	2.625	30	50	BFEA	in-vitro
Nc1ccc2c(c1)C/C(=C\c1ccco1)C2=O	237861	PZGJVWGHJXLBFJ-CSKARUKUSA-N	225.247	2.684	30	50	BFEA	
CCOC(=O)c1cc(C#N)c(SC)s1	329985	UOHGLSFLWKHJKB-UHFFFAOYSA-N	227.310	2.518	30	50	BFEA	in-vitro
Nc1ccc(/C=C/C(=O)c2cccnc2)cc1	5263433	XXDJKXSGPCIFKA-VMPITWQZSA-N	224.263	2.560	30	50	BFEA	
N#CCc1ccc(F)c(Br)c1	16159849	ORKCKZRBHXMWBO-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
CN1CCS/C1=C/C=Nc1ccccc1	334157185	PTROZTUDAJIDBT-QLQROWNFSA-N	218.325	2.909	30	50	BFEA	
C/C(=N\N=C1/CCCCCN1)c1ccccc1	5494493	VROKIYNHZIGYPW-FOWTUZBSSA-N	229.327	2.973	30	50	BFEA	
C=CCOc1ccc(NC(=O)C(C)C)cc1	40833798	VNSXZFAOIRADKW-UHFFFAOYSA-N	219.284	2.846	30	50	BFEA	
Cc1cc(C#N)cc(N[C@@H]2CCOC(C)(C)C2)n1	161112261	UIONYUOTCKCXIR-GFCCVEGCSA-N	245.326	2.631	30	50	BFEA	
N#CC[C@H]1C[C@@H](OCc2ccccc2)C1	299738109	KDHCQHWJIJPVQW-BETUJISGSA-N	201.269	2.895	30	50	BFEA	
Cc1nc(C#N)c(NCc2cc(F)ccc2C)o1	334162095	JIRCBWURGAEZIO-UHFFFAOYSA-N	245.257	2.914	30	50	BFEA	
F[C@@H]1[C@@H](F)C(F)(F)C(F)(F)C1(F)F	2243208	QVEJLBREDQLBKB-JCYAYHJZSA-N	214.055	2.582	30	50	BFEA	in-vitro
CC1=CC(=O)C(C(C)(C)C)=C(Cl)C1=O	3051949	GKDTWPAPZDPYAZ-UHFFFAOYSA-N	212.676	2.624	30	50	BFEA	
Cc1ccc[n+](CC(=O)c2ccc(F)cc2)c1C	3129737	JRZAVWPPCVMLDX-UHFFFAOYSA-N	244.289	2.613	30	50	BFEA	
CC(C)(C)C(=O)/C=C/Nc1ccc(C(=O)O)cc1	16322658	JSIQBGBRGGPCIG-CMDGGOBGSA-N	247.294	2.926	30	50	BFEA	
C=C(C)[C@H]1CC2=C(O1)c1ccccc1C(=O)C2=O	2164269	JXIGNVDGTOKIJS-GFCCVEGCSA-N	240.258	2.528	30	50	BFEA	biogenic
COc1ccc(/C=N/c2cc(C)on2)cc1	2506213	KYMRMSRSUPWBOP-MDWZMJQESA-N	216.240	2.742	30	50	BFEA	
Oc1ccc(C#Cc2ccc(F)cc2)cc1	2576973	LIPHCUGEWJPCQB-UHFFFAOYSA-N	212.223	2.931	30	50	BFEA	in-vitro
Cc1c(Cl)cccc1NC(=O)CC#N	3885161	ZGAKHZVQUKMFOI-UHFFFAOYSA-N	208.648	2.501	30	50	BFEA	in-vitro
Oc1cccc(/N=C/c2ccccc2O)c1	12494703	UALRWOGQNILXLJ-NTEUORMPSA-N	213.236	2.848	30	50	BFEA	
CN(C)c1ccc(/C=N/c2nccs2)cc1	18033007	ATZLMYHAZSBNPO-NTEUORMPSA-N	231.324	2.960	30	50	BFEA	
CCn1c2ccccc2c2cc(C#N)c(N)nc21	22146704	WPXFJZCEIDNZIQ-UHFFFAOYSA-N	236.278	2.663	30	50	BFEA	
N#CC1(c2ccc3c(c2)OC(F)(F)O3)CC1	95628954	RGKFSYDEMAFDQP-UHFFFAOYSA-N	223.178	2.563	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1cccc(C=O)c1	169807652	UPZYBRHQVJTPBO-UHFFFAOYSA-N	202.329	2.728	30	50	BFEA	
CC(C)NC(=O)Nc1ccc(Cl)cc1C#N	401990	ORHXVWYYXNSILF-UHFFFAOYSA-N	237.690	2.742	30	50	BFEA	
N#CC1(c2ccc(Cl)cc2)CCOCC1	28286117	MZHCOVGTFPCSQD-UHFFFAOYSA-N	221.687	2.912	30	50	BFEA	
CCOC(=O)[C@]1(CC)O[C@]1(C)[C@H](C)CC	252579734	ONAFDEUHKMTQFO-JLLWLGSASA-N	214.305	2.533	30	50	BFEA	
O=C(O)/C=C/C(=O)c1ccc(Cl)c(Cl)c1	2383012	XIZWELOARFUPLO-ONEGZZNKSA-N	245.061	2.817	30	50	BFEA	
O=C1Nc2ccccc2/C1=N/Cc1ccccc1	12408921	CDVQBWZXYMBSGU-UHFFFAOYSA-N	236.274	2.628	30	50	BFEA	
CCCCCCCCCC[C@@H](N)C(=O)O	2035155	QUBNFZFTFXTLKH-LLVKDONJSA-N	215.337	2.929	30	50	BFEA	
N#CCCC(=O)c1ccc(Br)cc1	2392781	UYGZSAQXYMVSOE-UHFFFAOYSA-N	238.084	2.936	30	50	BFEA	in-vitro
CC(=O)/C=C/c1[nH]c(/C=C/C(C)=O)c(C)c1C	2518989	AMZOFEUIKWQMKJ-KQQUZDAGSA-N	231.295	2.836	30	50	BFEA	
CC(C)(O)CCCC1=CC[C@@H](C=O)CC1	4582589	ORMHZBNNECIKOH-GFCCVEGCSA-N	210.317	2.853	30	50	BFEA	in-vitro
Cc1c(C(=O)O)sc2ccc(C#N)cc12	168656950	WYYMYFFWCHQAFQ-UHFFFAOYSA-N	217.249	2.780	30	50	BFEA	in-vitro
C=C(C)CNC(=O)[C@H]1CCCC(F)(F)C1	283304906	NOJYLLUFYZRTRI-VIFPVBQESA-N	217.259	2.504	30	50	BFEA	
N#Cc1ccc(C(=O)N2CCCCCC2)c(F)c1	4854289	LYIGTXQDPSOMSV-UHFFFAOYSA-N	246.285	2.714	30	50	BFEA	
Cc1ccc(/C=C/C(=O)c2cccnc2)o1	5218469	SDWSJLDBFNOBPU-VOTSOKGWSA-N	213.236	2.879	30	50	BFEA	
CO/N=C/[C@@H](C#N)c1ccc(Cl)cc1	5353956	BGWCMVGFWQHBBW-MRACZJACSA-N	208.648	2.579	30	50	BFEA	
CCSCCSc1ccc(C#N)cn1	266001369	OPSHTPNGKQMGMO-UHFFFAOYSA-N	224.354	2.798	30	50	BFEA	
CCCOc1ccc([C@@]2(C)O[C@H]2C#N)cc1	309496354	LFHRDBMENIWVFY-QWHCGFSZSA-N	217.268	2.613	30	50	BFEA	
C=CCS(=O)(=O)c1ccc2ccccc2c1	386032	DBNDUKDYRPXXJT-UHFFFAOYSA-N	232.304	2.800	30	50	BFEA	
CC1=C(/C=C/C(=O)CCN)C(C)(C)CCC1	5305401	IKYTVLNFZWXIDC-VOTSOKGWSA-N	221.344	2.987	30	50	BFEA	
CCOC(=O)/C(Cl)=N/Nc1ccc(C)cc1	100007716	IZJHYJDZIJLTOD-UVTDQMKNSA-N	240.690	2.522	30	50	BFEA	
CCCCCC/C=C\C[C@H](O)CC(=O)OC	201233096	WQAMZSPBYWALBP-LAUAKBEESA-N	228.332	2.827	30	50	BFEA	
CC(C)=CC(=O)C[C@@](C)(O)c1ccccc1	183453	DSWUMBKGTTUTAJ-CQSZACIVSA-N	218.296	2.820	30	50	BFEA	
O=C(O)c1cccc(C#Cc2ccccc2)c1	1692877	YVBDUPNCTBINKB-UHFFFAOYSA-N	222.243	2.785	30	50	BFEA	
C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@H](F)C1	335090590	HAQOOWSWGVKINL-UWVGGRQHSA-N	213.296	2.596	30	50	BFEA	
c1ccc2c(c1)C(=Nn1cnnc1)c1ccccc1-2	3176590	HQEGXAVUFIQMCR-UHFFFAOYSA-N	246.273	2.559	30	50	BFEA	
CC(C)=NOC(=O)Nc1cccc([N+](=O)[O-])c1	4774908	VFDYYIFOZSYJHX-UHFFFAOYSA-N	237.215	2.539	30	50	BFEA	
N#Cc1ccc2cc(Br)ccc2n1	16697358	BXWLFCFYDFRSPE-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
CN(C)/C=C/C(=O)c1ccc2ccccc2c1O	39213523	PFYZORSHKITQJM-MDZDMXLPSA-N	241.290	2.803	30	50	BFEA	
C[Si](C)(C)C#C[C@H](O)c1ccccc1	169744014	RVTDALNDYLDVMN-LBPRGKRZSA-N	204.345	2.601	30	50	BFEA	
CN1CCC([C@H](C#N)c2ccccc2)CC1	169795029	GCETYBDSGQBTEC-CQSZACIVSA-N	214.312	2.636	30	50	BFEA	
C#CC(C)(C)N(C)Cc1ccc(Cl)nc1	170616790	FAWKLNSEQOHPCU-UHFFFAOYSA-N	222.719	2.579	30	50	BFEA	
N#Cc1ccc(CN[C@@H]2CC[C@H](F)C2)cc1	309537141	XIUDIPQEBXUWLF-QWHCGFSZSA-N	218.275	2.538	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)NC1(C)CC=CC1	585090845	QPPMAAVRSPGRTB-LLVKDONJSA-N	207.317	2.814	30	50	BFEA	
C=CCc1c(C)nc(SCC(C)C)[nH]c1=O	8721009	QLJWXYPVDMXZMU-UHFFFAOYSA-N	238.356	2.555	30	50	BFEA	
C[C@@H]1C[C@H](O)[C@]23O[C@]12CC(C)(C)C[C@H]1C[C@]13C	71786226	MXKDLMFRHRQDKD-ADLWPHQSSA-N	236.355	2.741	30	50	BFEA	
CC(C)(C)OC(=O)N1C[C@H]2O[C@@H]2c2ccccc21	201769480	PPKCCKKBUDKBFQ-VXGBXAGGSA-N	247.294	2.882	30	50	BFEA	
C=C(C)CN(C)CCc1ccccc1[N+](=O)[O-]	241965513	UTKLYRNHBLIXMF-UHFFFAOYSA-N	234.299	2.645	30	50	BFEA	
N#Cc1ccc(N2CCC[C@@H]3CCC[C@H]32)nc1	228014762	RFKXHIMCXFETQB-QWHCGFSZSA-N	227.311	2.722	30	50	BFEA	
C=CCNC(=S)Nc1cccc(C)c1C	2995715	JMDSTTNKOWXAOV-UHFFFAOYSA-N	220.341	2.776	30	50	BFEA	
O=C(/C=C/c1ccc(O)cc1)c1ccncc1	5014092	NTBHFVAUTUKRMT-ZZXKWVIFSA-N	225.247	2.683	30	50	BFEA	
N#C[C@H](C(=O)c1ccco1)c1ccccc1	34975512	DIYSVLJRDLRHHY-NSHDSACASA-N	211.220	2.770	30	50	BFEA	
N#Cc1ncccc1N1CCc2ccccc2C1	129832572	MPVRAUWQEDYKQK-UHFFFAOYSA-N	235.290	2.516	30	50	BFEA	
Cn1cc(OCc2ccc(Cl)cc2C#N)cn1	193523723	YRKYKZMSKLRWJP-UHFFFAOYSA-N	247.685	2.524	30	50	BFEA	
N#Cc1ccc(O)c(OCc2ccccc2)c1	258609468	ZACGJZSNIGFUJL-UHFFFAOYSA-N	225.247	2.843	30	50	BFEA	
[N-]=[N+]=N/C(=N/O)c1ccccc1Br	685939444	PXTNTSRYFFIWFO-YRNVUSSQSA-N	241.048	2.895	30	50	BFEA	
O=C(O)CCCCC/N=C(\O)c1ccccc1	82156572	LFCIOBCYMAQQBT-UHFFFAOYSA-N	235.283	2.636	30	50	BFEA	
CCCNC(CC)=C1C(=O)CC(C)(C)CC1=O	100484164	YPRRIWREUAESRZ-UHFFFAOYSA-N	237.343	2.608	30	50	BFEA	
CCOC1=C([Si](C)(C)C)C(=O)C1(C)C	169833352	ZXOWZHUWKJPKMR-UHFFFAOYSA-N	212.365	2.763	30	50	BFEA	
CCN(C)N=C(O)[C@H](C)OC1CCCCCC1	328591783	JHKFCVMDJOPNAD-NSHDSACASA-N	242.363	2.938	30	50	BFEA	
N#C[C@H]1CC[C@@H](NCc2ccccc2F)C1	335283449	IRXMZCBEPJFMOC-CMPLNLGQSA-N	218.275	2.608	30	50	BFEA	
C=C[C@H]1CCN(Cc2cc3c(cc2C)OCO3)C1	820443846	UMHRBRJPOLXJHU-LBPRGKRZSA-N	245.322	2.732	30	50	BFEA	
Cn1nc(-c2ccccc2)c(C#N)c1Cl	170233	GHXQDLMAWHLJMD-UHFFFAOYSA-N	217.659	2.612	30	50	BFEA	
C=CCOc1ccc(C(=O)N[C@H](C)CC)cc1	8048876	HTGRZZLYLOXSEP-LLVKDONJSA-N	233.311	2.780	30	50	BFEA	
CC[C@@]1(c2ccc(Cl)cc2)O[C@@H]1C#N	307154640	UZGDHXHZMCFXLH-MNOVXSKESA-N	207.660	2.868	30	50	BFEA	
C=CCNC(=O)Cc1coc2cc(C)cc(C)c12	3017741	CMPYVODUMFTVSY-UHFFFAOYSA-N	243.306	2.894	30	50	BFEA	
Cc1ncc2c(c1C#N)-c1ccccc1OC2	5587299	DBSGFGKGZLPGTF-UHFFFAOYSA-N	222.247	2.821	30	50	BFEA	in-vitro
CCc1ccc([C@@]2(CC)O[C@H]2C#N)cc1	307233129	POYRWLYNONPPEL-QWHCGFSZSA-N	201.269	2.777	30	50	BFEA	
CCOc1ccc(CC#N)cc1OCC	52616	OBDKFHFLERWBBI-UHFFFAOYSA-N	205.257	2.550	30	50	BFEA	in-vitro
N#Cc1nc(-c2cccs2)oc1N1CCCC1	467248	SZQUBRVPSUAPNK-UHFFFAOYSA-N	245.307	2.875	30	50	BFEA	
CSc1snc(OC(C)C)c1C#N	1432410	YOAOQTJPEBUVEU-UHFFFAOYSA-N	214.315	2.524	30	50	BFEA	
Cc1cccc(CC#N)c1Br	197708336	LQQGCXTYKIBEJD-UHFFFAOYSA-N	210.074	2.824	30	50	BFEA	
CC(=O)C=C(C(F)(F)F)C(F)(F)F	34583495	NXASNTUMEFAWRZ-UHFFFAOYSA-N	206.085	2.626	30	50	BFEA	in-vitro
N#CCc1cc(Br)cc(F)c1F	216824007	SSZKSKWNLJSZDS-UHFFFAOYSA-N	232.027	2.793	30	50	BFEA	
C[C@@H]1O[C@@H]1COc1cccc(-c2nccs2)c1	1875324819	CDQMDXMFGJYCGN-JOYOIKCWSA-N	247.319	2.976	30	50	BFEA	
Oc1ccc(N/N=C/c2ccc(F)cc2)cc1	5344370	NBSOYBSEWGFVEM-OQLLNIDSSA-N	230.242	2.977	30	50	BFEA	
N#Cc1cccc(NC(=O)C2CCCC2)c1	5456676	FNTHWZJFBPFDRM-UHFFFAOYSA-N	214.268	2.687	30	50	BFEA	
N#Cc1cnc2ccc(Br)cc2c1	83332124	ZTDLEPVDXZCSPL-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
COc1ccc([C@H](O)c2ccc(C#N)cc2)cc1	85210101	QXJLWOYFDAVMLW-OAHLLOKOSA-N	239.274	2.649	30	50	BFEA	
CC(=O)C1=Cc2cccc(Cl)c2OC1	675063534	HQHPLUIDZCPOIT-UHFFFAOYSA-N	208.644	2.705	30	50	BFEA	
C=C(C)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1	225560	VMWUHWZFDITAOL-NSHDSACASA-N	228.247	2.673	30	50	BFEA	biogenic,in-vitro
C#Cc1cccc(NC(=O)C(C)(C)C)c1	226130	TZMCNGLUFLOCHJ-UHFFFAOYSA-N	201.269	2.653	30	50	BFEA	
CC(C)=NOC(=O)Nc1ccc(F)cc1	4583089	UPDZTCFOGLUWBS-UHFFFAOYSA-N	210.208	2.770	30	50	BFEA	
Cc1nc2ccccc2cc1OC[C@H]1O[C@H]1C	1875325041	GQSAZKVSZNRXCV-IINYFYTJSA-N	229.279	2.709	30	50	BFEA	
Cc1nc(-c2ccc(OC[C@H]3CO3)cc2)cs1	1875379936	ZYFNIIIOSFYGOP-LBPRGKRZSA-N	247.319	2.896	30	50	BFEA	
C=CCNC(=O)Nc1ccc(Cl)cc1C	2171511	KWVBBSDOAVJIAQ-UHFFFAOYSA-N	224.691	2.956	30	50	BFEA	
N#Cc1c(F)cc(F)cc1C(F)(F)F	263625381	ZJDYVSSKUCONPB-UHFFFAOYSA-N	207.101	2.855	30	50	BFEA	
CNc1oc(-c2ccccc2C)nc1C#N	467289	CURBZFAMFJYMRY-UHFFFAOYSA-N	213.240	2.563	30	50	BFEA	
COc1cc(C#N)ccc1OCC(C)C	1126734	ZOBILTYXIJZWFG-UHFFFAOYSA-N	205.257	2.602	30	50	BFEA	
CC(=O)/C(Cl)=N\Nc1ccc(C)cc1	8385656	SZUGRZADBSQNJK-JLHYYAGUSA-N	210.664	2.548	30	50	BFEA	
C=CCOc1ccc(C(=O)NCCCC)cc1	8477934	SEZKHWDCTOEUMZ-UHFFFAOYSA-N	233.311	2.781	30	50	BFEA	
Cc1ccc(C#Cc2ccccc2N)cc1	34276029	BMZWJMXJVGEQGL-UHFFFAOYSA-N	207.276	2.977	30	50	BFEA	
Cc1cccc(OC(=O)C#Cc2ccccc2)c1	1233813	OGWDBAOZDXGFQS-UHFFFAOYSA-N	236.270	2.952	30	50	BFEA	
COc1cccc(/C=C/C(=O)c2ccccn2)c1	5210994	ITGYAJMCQSYXIE-CMDGGOBGSA-N	239.274	2.986	30	50	BFEA	
O/N=C(\c1ccccc1)c1ccccc1O	6863881	HZXQKZWVTDAZAE-BUHFOSPRSA-N	213.236	2.619	30	50	BFEA	
C=CCN(C)C(=O)Nc1cccc(F)c1C	157531060	LVPURNRMTWYHMA-UHFFFAOYSA-N	222.263	2.784	30	50	BFEA	
N#CCc1cc(F)ccc1C(F)(F)F	4265208	ODNBTVLWRJNGCS-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	
C=C1CN(C(=O)C[C@H](C)Cc2cccc(F)c2)C1	585127985	OIFLJJHSSAYRMK-LLVKDONJSA-N	247.313	2.793	30	50	BFEA	
CC(=O)OC1=C(C)C(C)(C)[C@H](C#N)CC1	4831075	PBBTZKTUMCOJSI-JTQLQIEISA-N	207.273	2.783	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC(CC#N)CC1	15021673	LARQASBBVGBMDA-UHFFFAOYSA-N	224.304	2.547	30	50	BFEA	in-vitro
Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F	2172892	FJOACTZFMHZHSC-UHFFFAOYSA-N	233.086	2.844	30	50	BFEA	
CCOC(=O)Nc1cc(Cl)ccc1C#N	44124233	UGZDFIJISIBTDW-UHFFFAOYSA-N	224.647	2.780	30	50	BFEA	
C=C(C)C[C@]1(C(=O)OCC)CC[C@@H](C)C1=O	71786936	CVFLYWFEPUYRBH-ZWNOBZJWSA-N	224.300	2.501	30	50	BFEA	
O/C(C[C@@H]1C[C@H]2CC[C@H]1C2)=N/[C@H]1CC[C@@H](O)C1	328591945	GOMYMUBHUULMRM-PJSNJIKXSA-N	237.343	2.683	30	50	BFEA	
Cc1c(Cl)cccc1NC(=O)CS	111839	KRMKSTLHSNVWFD-UHFFFAOYSA-N	215.705	2.517	30	50	BFEA	
N#Cc1cnn(-c2ccccc2)c1C(F)(F)F	1392176	RZHQYJAXGRLEEN-UHFFFAOYSA-N	237.184	2.763	30	50	BFEA	
C=C(C)[C@@H]1CC2=C(O1)c1ccccc1C(=O)C2=O	2164271	JXIGNVDGTOKIJS-LBPRGKRZSA-N	240.258	2.528	30	50	BFEA	biogenic
N#Cc1ccc2nc(Br)sc2c1	11920215	KFWDPZBAVFCLDB-UHFFFAOYSA-N	239.097	2.930	30	50	BFEA	in-vitro
O=C(O)c1ccccc1/N=C/c1ccco1	61557	WRRBRKFIQKGYFF-MDWZMJQESA-N	215.208	2.728	30	50	BFEA	
N#Cc1c(N)sc2c1CCCCCC2	3683216	FFMNIWGELAUZIJ-UHFFFAOYSA-N	206.314	2.861	30	50	BFEA	in-vitro
Cc1ccc(C)c(C[S@@](=O)CCCC#N)c1	123473031	PSZNDJSBKAXTCS-MRXNPFEDSA-N	235.352	2.856	30	50	BFEA	
CC(C)(C)OC(=O)N1C[C@@H]2O[C@H]2c2ccccc21	144040717	PPKCCKKBUDKBFQ-RYUDHWBXSA-N	247.294	2.882	30	50	BFEA	
CN1CCC([C@@H](C#N)c2ccccc2)CC1	169795028	GCETYBDSGQBTEC-AWEZNQCLSA-N	214.312	2.636	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@@]1(C)[C@H](C)CC	251116522	HGWBOZRGHRMLBC-KGYLQXTDSA-N	228.332	2.923	30	50	BFEA	
CC#CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1	277643788	KFEHQYXVYHSAAD-ZDUSSCGKSA-N	241.334	2.837	30	50	BFEA	
O=C(C[n+]1ccccc1)c1ccc(Cl)cc1	1640975	IHPMKMIDMUXURP-UHFFFAOYSA-N	232.690	2.510	30	50	BFEA	
O/N=C1\CC[C@@H]2CN(C3CCCCC3)C[C@H]2C1	4977169	LTSLFNBPLYFMAG-IDNUSFOCSA-N	236.359	2.881	30	50	BFEA	
Cc1occc1C(=O)Nc1ccccc1C#N	6699671	HIJJHFZJWSOKTP-UHFFFAOYSA-N	226.235	2.712	30	50	BFEA	
Cc1ccc(Cl)cc1NC(=O)CC#N	378386	DOIFWZKNSQIYHB-UHFFFAOYSA-N	208.648	2.501	30	50	BFEA	in-vitro
CCn1ccc(C(=O)/C=C/c2ccc(F)cc2)n1	6490333	KSMFHXJCWYCYGO-VMPITWQZSA-N	244.269	2.938	30	50	BFEA	
CS/C(=N\Cc1cccnc1)NC(C)(C)C	96027871	GFHUJFWUNPPSBU-UHFFFAOYSA-N	237.372	2.689	30	50	BFEA	
N#C[C@H]1CC[C@@H](N2CCC(C(F)F)CC2)C1	336023657	CSGWRERPDHEXMB-GXSJLCMTSA-N	228.286	2.656	30	50	BFEA	
Cc1ncsc1CN[C@@H](C)CC(C)(C)C#N	863983439	IBAIVMFHCZEQRP-VIFPVBQESA-N	237.372	2.870	30	50	BFEA	
CCCCC#CB1OC(C)(C)C(C)(C)O1	169995703	RYRRXQHUSGAWQX-UHFFFAOYSA-N	208.110	2.811	30	50	BFEA	
Cc1n[nH]cc1CNc1cccc(C#N)c1C	181450310	ZIOKLMZARDHAPB-UHFFFAOYSA-N	226.283	2.510	30	50	BFEA	
C=CCN(CC=C)C(=O)Nc1ccc(OC)cc1	395232	DURFTHPHVWRRAK-UHFFFAOYSA-N	246.310	2.901	30	50	BFEA	
N#Cc1cc(F)c(C(F)(F)F)cc1F	2382337	UIUJARXSZPKAQW-UHFFFAOYSA-N	207.101	2.855	30	50	BFEA	
C=CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1	3080867	WTGSWOHAWGARQQ-UHFFFAOYSA-N	235.239	2.716	30	50	BFEA	
Cc1cc(C)cc(O[C@@H](C)C(=O)/C=C/N(C)C)c1	3134332	GNLHRGBODVPYRY-YBJDMEARSA-N	247.338	2.715	30	50	BFEA	
O=C(/C=C/c1ccccc1)CC(=O)C(F)(F)F	100021038	CSOPVKUECMSWBR-VOTSOKGWSA-N	242.196	2.790	30	50	BFEA	
C/C=C/C=NN(C)C(=N)c1ccccc1	254680024	VRLMXMWOCCSAIT-HGEJEENESA-N	201.273	2.506	30	50	BFEA	
C=C/C(O)=N/C[C@H]1[C@H]2c3ccccc3C[C@H]21	328597202	FRAQZHPCBWXYLW-SCRDCRAPSA-N	213.280	2.715	30	50	BFEA	
C[C@@H](CCC1CC1)/N=C(/O)[C@H]1CCC(O)=N1	329970029	WWZWZGJQCOMQQT-WCBMZHEXSA-N	224.304	2.641	30	50	BFEA	
C=C(F)C(=O)OC(C(F)(F)F)C(F)(F)F	2243173	RNMOMNJMYZWWGF-UHFFFAOYSA-N	240.074	2.506	30	50	BFEA	
C#CCOc1ccccc1CCCCCC(=O)O	2507633	CUNYTKVXYZYERK-UHFFFAOYSA-N	246.306	2.886	30	50	BFEA	in-vitro
C=C(C)CN(Cc1ccccc1)CC(C)(C)O	117951907	JZPPKUOGORHYBA-UHFFFAOYSA-N	233.355	2.836	30	50	BFEA	
N#C[C@H]1CC[C@@H](NCc2cccc(F)c2)C1	335283973	YANVRKGFGVMFNW-GXFFZTMASA-N	218.275	2.608	30	50	BFEA	
O=C(/C=C/c1ccc(O)cc1)c1ccccc1O	4252552	FGPJTMCJNPRZGF-JXMROGBWSA-N	240.258	2.994	30	50	BFEA	in-vitro
CC1CCN(c2ccccc2C#N)CC1	20075895	QVVFVZZUIIZJJH-UHFFFAOYSA-N	200.285	2.795	30	50	BFEA	in-vitro
Cc1cnccc1/C=N\Nc1ccccc1	43761448	XOBXCIGUKHHAEE-GDNBJRDFSA-N	211.268	2.836	30	50	BFEA	
CC1(C)OB(/C=C/c2ccncc2F)OC1(C)C	200999612	GBTWYMLCMVEHMW-FNORWQNLSA-N	249.094	2.865	30	50	BFEA	
N#Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1	8054836	YHAHHLXDJPCKMK-UHFFFAOYSA-N	245.282	2.847	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@]1(C)[C@H](C)CC	251116524	HGWBOZRGHRMLBC-RAIGVLPGSA-N	228.332	2.923	30	50	BFEA	
Cc1nc2ccccc2cc1OC[C@@]1(C)CO1	1875324804	BNTSITNVZKELPS-AWEZNQCLSA-N	229.279	2.711	30	50	BFEA	
CCCc1ccc([C@]2(C)O[C@H]2C#N)cc1	306524136	XGQQHRHUJQTYIR-STQMWFEESA-N	201.269	2.777	30	50	BFEA	
CC1=NN([C@H](C#N)c2ccccc2O)C(C)(C)C1	313049	UYJAFPWGKKJXSX-GFCCVEGCSA-N	243.310	2.817	30	50	BFEA	
CCOC(=O)C[C@@H](C#N)c1c[nH]c2ccccc12	2333954	GOTNBVYYMNYPJJ-JTQLQIEISA-N	242.278	2.728	30	50	BFEA	
O=CCCc1ccc(Br)cc1	19682858	RXZJWVPNFPPSEM-UHFFFAOYSA-N	213.074	2.581	30	50	BFEA	
Cc1c(Br)ccc(C#N)c1C	67802585	BHLPUVCVOAQINJ-UHFFFAOYSA-N	210.074	2.938	30	50	BFEA	
Cn1nccc1C#Cc1cccc2c1CCCC2	1875302826	IHOZLKBNFWFHEX-UHFFFAOYSA-N	236.318	2.699	30	50	BFEA	
CCCCOC1=CC(=O)C(=O)c2ccccc21	2163434	SMJAIQXDGOKGBD-UHFFFAOYSA-N	230.263	2.610	30	50	BFEA	
CC(=O)Nc1ccc(C#N)c(C(C)(C)C)c1	4164877	XDOYAQKUNRKKKS-UHFFFAOYSA-N	216.284	2.814	30	50	BFEA	
Cc1cc(-c2cccnc2)ccc1OC[C@@H]1CO1	1857779886	WLSMQURKMGYTMC-AWEZNQCLSA-N	241.290	2.835	30	50	BFEA	
Cc1cc(C(=O)/C=C/N(C)C)c(C)s1	6233129	UYKKHDSEKWKGAJ-AATRIKPKSA-N	209.314	2.623	30	50	BFEA	
Cc1nn(C)cc1/C=C/C(=O)c1ccc(F)cc1	6527169	ZLPFDKNMBFCFHM-VMPITWQZSA-N	244.269	2.764	30	50	BFEA	
C[C@]1(c2cccc(Br)c2)O[C@@H]1C#N	307338008	UINKQDFFVRQBNY-NXEZZACHSA-N	238.084	2.587	30	50	BFEA	
CC1(C)CCc2ccc(OC[C@@H]3CO3)cc2O1	1875379190	OBXHLLQHDWCXMB-GFCCVEGCSA-N	234.295	2.568	30	50	BFEA	
N#CCC[C@@H]1CCC[C@@H](CCC#N)C1=O	2162346	AWHFKTMJYGMAKQ-QWRGUYRKSA-N	204.273	2.579	30	50	BFEA	in-vitro
Nc1ccc(/C=C/C(=O)c2ccco2)cc1	4819104	ITPWUSUCOBCXRZ-VMPITWQZSA-N	213.236	2.758	30	50	BFEA	
CCN(CC)[C@H](C)C#Cc1ccccc1	5027214	CKZLTELEGHRENY-CYBMUJFWSA-N	201.313	2.768	30	50	BFEA	
C=C[C@H]1CCCN(C(=O)OC(C)(C)C)C1	34061875	JCQBWMAWTUBARI-JTQLQIEISA-N	211.305	2.820	30	50	BFEA	in-vitro
Cc1ccc(OCCCCNCCS)cc1	3602223	FSPSYNWJFRBIOS-UHFFFAOYSA-N	239.384	2.673	30	50	BFEA	
C=CCSc1nc2ccc(OC)cc2[nH]1	6592505	OOJITRYKYWVFMK-UHFFFAOYSA-N	220.297	2.850	30	50	BFEA	
N#Cc1cccc(NC(=O)N[C@@H]2CC[C@H](F)C2)c1	336353174	RQSDAQWAOKDNKX-CMPLNLGQSA-N	247.273	2.570	30	50	BFEA	
CCOc1ccccc1/C(N=[N+]=[N-])=N/O	685939449	VFDJAIHOLVDPNC-XFXZXTDPSA-N	206.205	2.531	30	50	BFEA	
N#Cc1ccc(-c2noc(C3CCC3)n2)s1	725273442	CPSOOMVGZQCKMX-UHFFFAOYSA-N	231.280	2.937	30	50	BFEA	
C=C(C)Cn1c([C@H](C)O)nc2ccccc21	210225	WICCMFMISVKWNL-JTQLQIEISA-N	216.284	2.666	30	50	BFEA	
C=CCNC(=O)/C=C/c1c(F)cccc1Cl	2086465	ITOBFQXUOJBEGX-VOTSOKGWSA-N	239.677	2.795	30	50	BFEA	
N#Cc1ccc(C=Cc2ccc(O)c(F)c2)nc1	1857529708	ZPQGZWOZCAWDRJ-UHFFFAOYSA-N	240.237	2.968	30	50	BFEA	
N#Cc1c(F)cccc1OCC(F)(F)F	172524	KPUXDDKZMLVAEI-UHFFFAOYSA-N	219.137	2.638	30	50	BFEA	
CC1=C(C[S@](=O)c2ccccc2)CCCC1=O	230508755	UGPXLUORNNNMMA-KRWDZBQOSA-N	248.347	2.864	30	50	BFEA	
CCOC(=O)[C@]1(CC)O[C@]12CCCC[C@H]2C	252582980	WSNIIJKJHOFXAE-WXHSDQCUSA-N	226.316	2.677	30	50	BFEA	
COC1=CC(=O)[C@H]2[C@@H]1[C@H]1CC[C@H]2C1=C(C)C	257358737	WCQTUYNZJTUGAZ-LBLXLQPISA-N	218.296	2.708	30	50	BFEA	
C[C@@H]1CN(CCc2ccccc2)[C@H](C)C/C1=N/O	4712812	RSOJDXFITJOAFZ-FJOSAAFMSA-N	246.354	2.790	30	50	BFEA	
CCOc1ccc(/C=N/Nc2ccccn2)cc1	4737972	COMNRDWXQPLTHT-LFIBNONCSA-N	241.294	2.926	30	50	BFEA	
C=CCn1c(-c2cccc(OC)c2)n[nH]c1=S	6556111	YGIKBVVKFOTEBF-UHFFFAOYSA-N	247.323	2.802	30	50	BFEA	
Cc1cccc(CNc2ccc(C)c(C#N)n2)n1	170088051	QCIOSKRNLBIPJY-UHFFFAOYSA-N	238.294	2.577	30	50	BFEA	
CCCCCC[C@@H]1CCC/C1=N/NC(N)=S	4898553	OWGUSBISUVLUJF-RLZNRLDCSA-N	241.404	2.946	30	50	BFEA	
ON=C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1	34428635	KFSOYEAOVNOZNU-OKILXGFUSA-N	230.311	2.644	30	50	BFEA	in-vitro
C=C/C(O)=N/[C@@H](c1nc(C2CC2)no1)C(C)C	328594543	SEPCXYHHQBNFMU-SNVBAGLBSA-N	235.287	2.787	30	50	BFEA	
C#C[C@@](C)(CC)NCc1cn(C(C)C)nc1C	585116927	MMXUIZBUQYTBLI-AWEZNQCLSA-N	233.359	2.664	30	50	BFEA	
N#Cc1ccccc1C(=O)c1ccccc1	403319	XPBIJHFBORWDCM-UHFFFAOYSA-N	207.232	2.789	30	50	BFEA	
O=C(O)c1ccccc1N/N=C/c1ccccc1	4416366	JWHPRNIQGLRBPH-XNTDXEJSSA-N	240.262	2.831	30	50	BFEA	
CC(C)(C)C(=O)/C=C(\N)COc1ccccc1	4663783	XEKYYNJDIDFMDZ-LUAWRHEFSA-N	233.311	2.523	30	50	BFEA	
C=CCc1cnccc1NC(=O)C(C)(C)C	38534063	SCQCOGSLQXRKHO-UHFFFAOYSA-N	218.300	2.795	30	50	BFEA	
COc1ccccc1-c1cc(C#N)ccn1	65426270	MMQMWIOLYRXTKH-UHFFFAOYSA-N	210.236	2.629	30	50	BFEA	
C=CCCCOc1ccc2oc(O)nc2c1	408525298	VCVJVUWDXDDHEL-UHFFFAOYSA-N	219.240	2.878	30	50	BFEA	
N#Cc1c([N+](=O)[O-])ccc(Cl)c1Cl	165687	RDFDRMZYAXQLRT-UHFFFAOYSA-N	217.011	2.773	30	50	BFEA	in-vitro
CC(C)NCC#CCOc1ccc(Cl)cc1	2862648	AXBOCXIOPBYFTA-UHFFFAOYSA-N	237.730	2.720	30	50	BFEA	
O=C(/C=C/c1ccncc1)c1ccccc1	3917202	MSXXXMPYLQXAKL-VOTSOKGWSA-N	209.248	2.978	30	50	BFEA	
N#Cc1cnc2ccc(C(F)(F)F)cc2c1N	53994724	WPAXSNMONIKHFU-UHFFFAOYSA-N	237.184	2.707	30	50	BFEA	
C=CCn1cc(CN2CC[C@@H](CCC)C2)c(C)n1	55119056	NIXZTRXOZVVTAR-CQSZACIVSA-N	247.386	3.000	30	50	BFEA	
N#Cc1cc(Br)c(Cl)cc1N	74938048	KJPRHLKWMOMEPN-UHFFFAOYSA-N	231.480	2.556	30	50	BFEA	in-vitro
C/C(=N\O)c1ccc(OC(F)(F)F)cc1	150235764	UVVGWVHFPSHDQW-AWNIVKPZSA-N	219.162	2.783	30	50	BFEA	
N#Cc1ccnc(CN2CCc3ccccc3C2)c1	299797447	RKJVYJDDZOLCOT-UHFFFAOYSA-N	249.317	2.512	30	50	BFEA	
C=CCNC(=O)Nc1cc(C)cc(C)c1	2172068	OYVDPBPTJDGPTL-UHFFFAOYSA-N	204.273	2.611	30	50	BFEA	
C/C(=N/Nc1ccccc1)c1ccccn1	17378591	IAHWYHYXNQDZNV-PTNGSMBKSA-N	211.268	2.918	30	50	BFEA	
COc1ccccc1NC1=CC(=O)CCC1	33867577	ANVIMHQBIADCBH-UHFFFAOYSA-N	217.268	2.744	30	50	BFEA	
C=C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	34061876	JCQBWMAWTUBARI-SNVBAGLBSA-N	211.305	2.820	30	50	BFEA	in-vitro
CCOC(=O)Nc1nc2ccc(C#N)cc2s1	1772572565	NBGPJAYQBNVWOA-UHFFFAOYSA-N	247.279	2.736	30	50	BFEA	
Cc1nn(C)cc1/C=C/C(=O)c1ccccc1	4652152	AAYYSLIYNKMBPH-CMDGGOBGSA-N	226.279	2.625	30	50	BFEA	
C[C@]1(c2ccccc2C(F)(F)F)O[C@@H]1C#N	380484285	XOYUBSTXGKVICW-NXEZZACHSA-N	227.185	2.843	30	50	BFEA	
CCCC[C@H](C)C(=O)Nc1ncc(C#N)s1	864094311	QCEHECVUPJRIMV-QMMMGPOBSA-N	237.328	2.780	30	50	BFEA	
CCCCNC(C)=C1C(=O)CC(C)(C)CC1=O	100319076	LCBAJYUPVGAASX-UHFFFAOYSA-N	237.343	2.608	30	50	BFEA	
Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C)c1C	195966068	BTWKQJRQHBAYDG-UHFFFAOYSA-N	246.159	2.911	30	50	BFEA	
N#Cc1cccnc1N1CCC[C@H]1C1CCC1	264025104	PWUZAHUPZICEDR-ZDUSSCGKSA-N	227.311	2.722	30	50	BFEA	
CC#CC(=O)N(CCC)CCc1cccc(F)c1	278839391	KJISNEJPDYJFCW-UHFFFAOYSA-N	247.313	2.630	30	50	BFEA	
CCCN1C(=O)CS/C1=N/c1ccccc1C	725326526	QTIPLRGLNSQFTD-BUHFOSPRSA-N	248.351	2.968	30	50	BFEA	
N#CCc1ncc(C(F)(F)F)cc1Cl	9428889	QSFVBRUYPUNIPH-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
N#Cc1cccc(COc2cccc(C=O)c2)c1	15423245	YZLHXAJTYDJDPP-UHFFFAOYSA-N	237.258	2.950	30	50	BFEA	
Cc1cccc(C)c1CN[C@@H](C)CC#N	166514051	NLSIVAHLBVPOSR-LBPRGKRZSA-N	202.301	2.695	30	50	BFEA	
C=C(CN[C@H](c1ccccc1)C(C)C)C(=O)O	2325852318	ZRKRHYVEOISVOU-ZDUSSCGKSA-N	233.311	2.614	30	50	BFEA	
Cc1cc(C)c(NC(=O)CS)c(Cl)c1	111830	RRHNHELVBGESAJ-UHFFFAOYSA-N	229.732	2.825	30	50	BFEA	
COc1ccc([C@H](C#N)C2(O)CCCCC2)cc1	21984928	ASYJSBPNAIDUHX-AWEZNQCLSA-N	245.322	2.998	30	50	BFEA	in-vitro
CCc1ccccc1C(=O)N[C@@H](C#N)C(C)C	161908165	RFBDHEVNOSSGHI-ZDUSSCGKSA-N	230.311	2.527	30	50	BFEA	
C[C@H]1CC[C@@H](C)[S@+]1c1cc(O)ccc1O	239173656	OJTVJPHOXXMYQX-IEVQFXQGSA-O	225.333	2.646	30	50	BFEA	
CSC(=S)N/N=C1\CCc2ccccc21	124125	ALTCRDXORSAPCL-ZRDIBKRKSA-N	236.365	2.574	30	50	BFEA	
SCc1ccc(Br)cc1	4244655	CUCKXDPCCYHFMQ-UHFFFAOYSA-N	203.104	2.879	30	50	BFEA	
CCOC(=O)c1cc2cc(C#N)ccc2s1	34432293	KURMBVGYOCYEDO-UHFFFAOYSA-N	231.276	2.950	30	50	BFEA	in-vitro
N#Cc1cccc(-c2nc(-c3cccnc3)no2)c1	78938112	HGFXDSQLRSWUBO-UHFFFAOYSA-N	248.245	2.670	30	50	BFEA	in-vitro
N#Cc1c(Br)cccc1NC1CC1	95495719	ISICKMZHCHSRPP-UHFFFAOYSA-N	237.100	2.895	30	50	BFEA	
CC(C)[C@H]1CN(c2ccc(C#N)nc2)CCS1	195535375	SRCXNQVFAXOBAW-CYBMUJFWSA-N	247.367	2.531	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@]1(C)C(C)(C)C	212046315	LXPBJSGLJNJYAI-CHWSQXEVSA-N	228.332	2.923	30	50	BFEA	
N#C[C@@H]1CC[C@H](N[C@H]2C[C@@H]2Cc2ccccc2)C1	442877898	XRVILPBEZFLBAV-UGUYLWEFSA-N	240.350	2.899	30	50	BFEA	
CC(C)=N/N=C1\NC(C)(C)Cc2ccccc21	231754	UOTOTPWWIZZLIP-UHFFFAOYSA-N	229.327	2.753	30	50	BFEA	
CC(C)=CC1=C(O)C(=O)c2ccccc2C1=O	402490	HXRBQSOSCSKMTM-UHFFFAOYSA-N	228.247	2.844	30	50	BFEA	biogenic
N#Cc1c(-c2ccc(Cl)cc2)c[nH]c1N	1389431	RERVEJUGSWMWSS-UHFFFAOYSA-N	217.659	2.789	30	50	BFEA	
O[C@H](C#Cc1ccccc1)c1ccccc1	1660004	DZZWMODRWHHWFR-OAHLLOKOSA-N	208.260	2.772	30	50	BFEA	
C=C(C)C[C@@H]1CC[C@@](C)(C(=O)OCC)C1=O	43214756	VVLWKFBAMQZYFB-GXFFZTMASA-N	224.300	2.501	30	50	BFEA	
C=CCOc1ccc(/C=C/[N+](=O)[O-])cc1OC	2818764	BJWUJOOOKRGUNM-VOTSOKGWSA-N	235.239	2.507	30	50	BFEA	
C=CCc1cccc2cc(C#N)c(=N)oc12	5290783	YKSSQKFXOAILMB-UHFFFAOYSA-N	210.236	2.512	30	50	BFEA	
C[C@]1(c2cccc(Br)c2)O[C@H]1C#N	307338010	UINKQDFFVRQBNY-VHSXEESVSA-N	238.084	2.587	30	50	BFEA	
C=C(CC(C)C)C(=O)N[C@@H]1CCCSC1	1262554035	QGDIWBGZRQFFFA-LLVKDONJSA-N	227.373	2.601	30	50	BFEA	
C#CCOC(=O)Nc1cccc(Cl)c1	1600629	ZKZLBLNPQRHCKR-UHFFFAOYSA-N	209.632	2.522	30	50	BFEA	
CC(C)CCNc1ccc([N+](=O)[O-])cc1C#N	8703024	CKOLPRKJMUFHSM-UHFFFAOYSA-N	233.271	2.924	30	50	BFEA	
CC[C@@](C)(C#N)C(=O)Nc1ccccc1F	136174536	NODGVZIKALROQW-LBPRGKRZSA-N	220.247	2.704	30	50	BFEA	
CC(=O)Nc1ccc(/C(C)=N/OC2CCC2)cc1	225655870	ASQPKAPOEWUMNT-MHWRWJLKSA-N	246.310	2.938	30	50	BFEA	
CC1(C#N)CCN(c2ncc(Cl)s2)CC1	613183227	ZXTGVVRJXWGVCD-UHFFFAOYSA-N	241.747	2.927	30	50	BFEA	
C=CCOc1ccc(CNC2CC2)cc1OC	6701980	ZBXDCWMUSXLHQQ-UHFFFAOYSA-N	233.311	2.512	30	50	BFEA	
Cc1ccc(C(=O)/C=C/c2cn(C)nc2C)cc1	6788100	ZHGQXYZDZYWMSJ-CMDGGOBGSA-N	240.306	2.933	30	50	BFEA	
COc1cc(OC)cc(-c2cc(C#N)ccn2)c1	67713297	YSULKXGLEXCZLD-UHFFFAOYSA-N	240.262	2.637	30	50	BFEA	
COc1ccc(O)c(C=Nc2ccccc2O)c1	254837130	ZSKAQEGIDOMWSO-UHFFFAOYSA-N	243.262	2.857	30	50	BFEA	
N#Cc1ccnc(N2CCC[C@H]2c2ccco2)c1	328586339	FQTOOWUOQORQAG-LBPRGKRZSA-N	239.278	2.888	30	50	BFEA	
C=CCOc1ccc(NC(=O)CC)cc1	6744520	LLQLXYTWKYYWJK-UHFFFAOYSA-N	205.257	2.600	30	50	BFEA	
O=C1/C(=N\O)CCc2c1ccc1ccccc21	43761396	QMQCFNDLXGJBHE-SQFISAMPSA-N	225.247	2.799	30	50	BFEA	
C[C@H]1CN(CCC#N)[C@H]1c1ccccc1	253603051	IHBGPAIJCXSXBC-WCQYABFASA-N	200.285	2.593	30	50	BFEA	
N#Cc1ccc(NCC(F)(F)F)cc1	19867757	IBWGDDUANDFOPJ-UHFFFAOYSA-N	200.163	2.532	30	50	BFEA	
COc1ccc(-c2nc(C)cc(C)c2C#N)cn1	67840830	FQJQODOGEXYFTA-UHFFFAOYSA-N	239.278	2.641	30	50	BFEA	
N#Cc1cc(C(F)(F)F)cc(Cl)c1N	91252192	FAYAZKBDGSUKFN-UHFFFAOYSA-N	220.581	2.813	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@@]1(C)C(C)(C)C	212046362	LXPBJSGLJNJYAI-STQMWFEESA-N	228.332	2.923	30	50	BFEA	
Cn1ccc2cccc(-c3cnn(CC#N)c3)c21	1875331421	ZOUQOHASGFYPQB-UHFFFAOYSA-N	236.278	2.565	30	50	BFEA	
CCCCCCCCCC[C@H](O)CO	2041985	ZITKDVFRMRXIJQ-LBPRGKRZSA-N	202.338	2.870	30	50	BFEA	in-vitro
N#Cc1cccc(-c2cccc(C(=O)O)c2)c1	2528940	BFOFVXTZGJGLES-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	in-vitro
CCCOc1ccc(/C=N/O)cc1Cl	2991812	MDZFWRZRNLXUPA-KPKJPENVSA-N	213.664	2.937	30	50	BFEA	
O=C(/C=C/c1ccccc1O)c1ccccc1O	4159316	KSHCTKZLHCSARH-MDZDMXLPSA-N	240.258	2.994	30	50	BFEA	biogenic,in-vitro
COc1cc(C#N)cc(C(F)(F)F)c1	16159857	DSMSXBUFGYTQPM-UHFFFAOYSA-N	201.147	2.586	30	50	BFEA	in-vitro
N#Cc1cccc(Cl)c1Br	36533238	DVMBZTNBWVDWBX-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
CC1(C)OB([C@H]2CCCC(=O)C2)OC1(C)C	169978517	RDLPCDXZYPJXPO-VIFPVBQESA-N	224.109	2.592	30	50	BFEA	in-vitro
C[C@]1(c2ccccc2C(F)(F)F)O[C@H]1C#N	380484289	XOYUBSTXGKVICW-VHSXEESVSA-N	227.185	2.843	30	50	BFEA	
N#CCC(=O)Nc1ccc(Cl)cc1Cl	64955	XSNWFABKENMBQB-UHFFFAOYSA-N	229.066	2.846	30	50	BFEA	in-vitro
C=CCn1c(-c2ccc(OC)cc2)n[nH]c1=S	548811	MVQQXNAKPPUALI-UHFFFAOYSA-N	247.323	2.802	30	50	BFEA	
CC(=O)Nc1cccc(-c2cccc(C#N)n2)c1	67983095	NRWLHZJUQWGBCR-UHFFFAOYSA-N	237.262	2.579	30	50	BFEA	
CC1(C)COB(c2cccc3ccccc23)OC1	169794693	VWRKQVBSFBSIOI-UHFFFAOYSA-N	240.111	2.608	30	50	BFEA	in-vitro
CC(C)CNc1ccc([N+](=O)[O-])cc1C#N	8127757	FGVNFTMTAITBRS-UHFFFAOYSA-N	219.244	2.534	30	50	BFEA	
N#Cc1cc2cc(Br)ccc2[nH]1	82046762	PWYJCECTKKQOTQ-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	in-vitro
C=C(B1O[C@H](C)CC(C)(C)O1)C(F)(F)F	169794631	GGSSZVWESZQFOZ-ZCFIWIBFSA-N	222.015	2.736	30	50	BFEA	in-vitro
CCCCCC/C=C/C[C@@H](O)CC(=O)OC	201233199	WQAMZSPBYWALBP-IDVQTMNDSA-N	228.332	2.827	30	50	BFEA	
CCOC(=O)[C@]1(CC)O[C@]1(C)[C@@H](C)CC	220823357	ONAFDEUHKMTQFO-WCQGTBRESA-N	214.305	2.533	30	50	BFEA	
C=C(C)CNc1ccc([C@H](C)C(=O)O)cc1	22	FPHLBGOJWPEVME-JTQLQIEISA-N	219.284	2.863	30	50	BFEA	in-man
N#Cc1cc2c(nc1Cl)[C@H]1CC[C@H]2C1	158980244	AFMFLAFHRUXVRV-BQBZGAKWSA-N	204.660	2.971	30	50	BFEA	
CC(C)c1ccc([C@@]2(C)O[C@H]2C#N)cc1	306519826	JHOBRAMQRPHFDG-QWHCGFSZSA-N	201.269	2.948	30	50	BFEA	
CCCOc1ccc([C@@]2(C)O[C@@H]2C#N)cc1	309496339	LFHRDBMENIWVFY-CHWSQXEVSA-N	217.268	2.613	30	50	BFEA	
c1ccc2nc(C3CC3)c(OC[C@@H]3CO3)cc2c1	1875378392	BQXILRKCFDPQDG-LBPRGKRZSA-N	241.290	2.890	30	50	BFEA	
N#Cc1ccccc1Oc1ccccc1CO	166375	UTBJBTJQWREABX-UHFFFAOYSA-N	225.247	2.843	30	50	BFEA	in-vitro
Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O	1402954	IWXSTGCZEMQTGC-UHFFFAOYSA-N	244.681	2.577	30	50	BFEA	aggregator
C/N=C(/S)Nc1ccc2nc(C)c(C)nc2c1	13471023	DFMCRUCOXYLFMY-UHFFFAOYSA-N	246.339	2.574	30	50	BFEA	
CC#CC(=O)N[C@H](C)c1cc2cc(F)ccc2o1	408515922	QKXOSVQRKLJRIF-SECBINFHSA-N	245.253	2.772	30	50	BFEA	
CC(C)(O)C(=O)/C=C/c1ccccc1Cl	12381159	PCGUUASYJOEBMN-BQYQJAHWSA-N	224.687	2.693	30	50	BFEA	
C[C@H]1CCCN(/C(S)=N\C2CCCC2)C1	13497364	NGNQBTFCORRJEQ-JTQLQIEISA-N	226.389	2.947	30	50	BFEA	
N#Cc1cc(Br)c(O)cc1Cl	118114023	AQMYRNXNGGGEJC-UHFFFAOYSA-N	232.464	2.680	30	50	BFEA	
CC[C@@H](CC#N)OC(=O)c1cccn1C(C)C	170605098	JIPPLVVHVPKLOK-NSHDSACASA-N	234.299	2.918	30	50	BFEA	
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@]2(C)O[C@H]12	254857550	DGWBAYBQBBTILR-CXDKZYLESA-N	246.306	2.836	30	50	BFEA	
Cc1ccc(/C=N/Nc2ccccc2[N+](=O)[O-])o1	4550927	HIUCDCUKBMXZJY-MDWZMJQESA-N	245.238	2.942	30	50	BFEA	
C/C(=N\O)c1cc([N+](=O)[O-])c2ccccc2c1O	4951805	AGCJGFIXPQLQTJ-NTUHNPAUSA-N	246.222	2.652	30	50	BFEA	
CC1=NOC(=O)/C1=C\c1cccc(Cl)c1	12413101	RXOCGBSFRDHWDM-POHAHGRESA-N	221.643	2.656	30	50	BFEA	
COc1ccc([C@H](C#N)N2CCCCC2)cc1	49778131	CYRKWIBBOQIQTG-AWEZNQCLSA-N	230.311	2.746	30	50	BFEA	in-vitro
C=CCN(C)Cc1nc(-c2ccccc2)c[nH]1	133506764	AXKSGJSPMNQQDU-UHFFFAOYSA-N	227.311	2.695	30	50	BFEA	
CC#CC(=O)NCC[C@@H]1CC[C@H]2C[C@@H]1C2(C)C	1875387514	LOXSVAAWQNZIOD-AVGNSLFASA-N	233.355	2.588	30	50	BFEA	
CC(C)(C#N)OC(=O)Nc1ccccc1	398236	RFHMRCAOOQCCTE-UHFFFAOYSA-N	204.229	2.537	30	50	BFEA	
C/C(=C\C(=O)c1sccc1C)N(C)C	1384232	CLGJKHSFXFPNOE-VQHVLOKHSA-N	209.314	2.705	30	50	BFEA	
C(#CCN1CCCCC1)COc1ccccc1	3040379	MKJUGLATHCMJOY-UHFFFAOYSA-N	229.323	2.555	30	50	BFEA	
N#Cc1ncccc1-c1ccc([N+](=O)[O-])cc1	74938341	IUQDELCNNJFVHX-UHFFFAOYSA-N	225.207	2.528	30	50	BFEA	in-vitro
COc1cc(OCc2nccs2)ccc1C#N	194513507	FIWWEPDAFIIHDV-UHFFFAOYSA-N	246.291	2.602	30	50	BFEA	
N#CCc1ccc(F)cc1Br	346317	OITVZXQQQFKXIP-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
N#CCc1ccc(Br)cc1F	4291238	QLASQEZPJFNZQC-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
Cc1c(C#N)c(N)n(-c2ccc(F)cc2)c1C	12372548	NMNGGCUKSMSBEK-UHFFFAOYSA-N	229.258	2.687	30	50	BFEA	
CC(C)(C(=O)O)c1ccc(C#N)c(Cl)c1	238110547	VKKGHNGGDMNGFC-UHFFFAOYSA-N	223.659	2.574	30	50	BFEA	
C[C@@]1(c2cccc(C(F)(F)F)c2)O[C@@H]1C#N	380519351	WLASYEUJPNECQM-ZJUUUORDSA-N	227.185	2.843	30	50	BFEA	
N#Cc1ccc(-c2cn3ccccc3n2)cc1	337781	QKFAADBAQQYFIL-UHFFFAOYSA-N	219.247	2.873	30	50	BFEA	
COc1ccc(C2(/C=N/O)CCCC2)cc1OC	343496	BSJKXPWSOYIVLE-XNTDXEJSSA-N	249.310	2.976	30	50	BFEA	
C=CCNC(=O)[C@@H](C)SCc1ccccc1	2958030	MIONOTDUIWCNJK-LLVKDONJSA-N	235.352	2.611	30	50	BFEA	
Cc1ccccc1[C@@H](O)c1ccc(C#N)cc1	85210105	JIGFPFBDFWBPAN-HNNXBMFYSA-N	223.275	2.948	30	50	BFEA	in-vitro
Cc1ccc(-n2nc(C)c(CCC#N)c2O)cc1	100163456	SNSRMSZGNYDNFN-UHFFFAOYSA-N	241.294	2.651	30	50	BFEA	
COc1cc(Cl)cc2c1OCC(C(C)=O)=C2	675063659	JPVXTYZKXDRMJP-UHFFFAOYSA-N	238.670	2.713	30	50	BFEA	
C=CCNc1nc(SC)nc2ccccc12	5527686	FFKHAJFJBRAONZ-UHFFFAOYSA-N	231.324	2.950	30	50	BFEA	
CCc1nc(CNc2ccc(C#N)nc2)cs1	195575227	IHEKOQMDRJZMGJ-UHFFFAOYSA-N	244.323	2.584	30	50	BFEA	
C#CC1(OC(=O)C2CCCCC2)CCC1	328596750	YHVUZTHJJHMWEC-UHFFFAOYSA-N	206.285	2.666	30	50	BFEA	
Cc1c(C#N)c(N)n(Cc2ccccc2F)c1C	12372546	BUFOQTPKSORXAV-UHFFFAOYSA-N	243.285	2.746	30	50	BFEA	
Cc1ccccc1[C@H](O)c1ccc(C#N)cc1	85210104	JIGFPFBDFWBPAN-OAHLLOKOSA-N	223.275	2.948	30	50	BFEA	in-vitro
C=C(CN(Cc1ccc(C)cc1)C1CC1)C(=O)O	2325852229	WXEMZCOGQWCLEV-UHFFFAOYSA-N	245.322	2.600	30	50	BFEA	
Nc1ccc(C(=O)/C=C/c2ccc(O)cc2)cc1	4099897	GJKSOGFGWQZGRL-XCVCLJGOSA-N	239.274	2.871	30	50	BFEA	in-vivo
O=C1C2=C(C(=O)c3ccccc31)[C@H]1C=C[C@H]2C1	100487767	UGTIHRDRMFXRLO-IUCAKERBSA-N	222.243	2.568	30	50	BFEA	
Fc1cccc(/C=N/N2CCCCC2)c1	110328	MRXNJJOMLPLDFY-GXDHUFHOSA-N	206.264	2.646	30	50	BFEA	
O=C1C(Cl)=C(Cl)C(=O)c2ccccc21	135323	SVPKNMBRVBMTLB-UHFFFAOYSA-N	227.046	2.755	30	50	BFEA	biogenic,in-vivo
COc1ccccc1/C=N/NC1=NCCCCC1	13110707	CDYUBGFAYXLJDK-LFIBNONCSA-N	245.326	2.591	30	50	BFEA	
CCOc1ccccc1[C@@H]1CC(=O)C=C(O)C1	26475480	FGSUULBFIUGQEH-JTQLQIEISA-N	232.279	2.974	30	50	BFEA	
CCN(CC)CCNN=C1CCCCCC1	71773100	GRDRUNABOHZZDY-UHFFFAOYSA-N	225.380	2.628	30	50	BFEA	
C=CCNCc1cc2cc(F)ccc2o1	119555345	FJZHKXKXBGSZME-UHFFFAOYSA-N	205.232	2.848	30	50	BFEA	
CC(C)(C)[S@](=O)/N=C/c1cccs1	212359113	YYSVBNDDIUTFLR-RSPDNQDQSA-N	215.343	2.629	30	50	BFEA	
C[C@@H](C#N)CNC1CCC2(CC1)CC2(F)F	952995330	IUKOEVABPSJLAN-WHXUTIOJSA-N	228.286	2.704	30	50	BFEA	
CC1(C)CCc2cc(OC[C@H]3CO3)ccc2O1	1875379638	SLZLYCPJXNXZNI-LBPRGKRZSA-N	234.295	2.568	30	50	BFEA	
CC(C)(C)N(O)C[C@H](C#N)c1ccccc1	405055	IBMYLULUARDVBI-LBPRGKRZSA-N	218.300	2.783	30	50	BFEA	
N#CCOc1c(C#N)sc2ccccc12	5948695	SFTVAECSVCRAAM-UHFFFAOYSA-N	214.249	2.675	30	50	BFEA	
N#C[C@H](NC(=O)c1ccccc1)c1ccccc1	35274229	NBZAGKIQCHKEBJ-AWEZNQCLSA-N	236.274	2.681	30	50	BFEA	
C[C@@H]1C[C@H](C#N)CCN1C(=O)OC(C)(C)C	144011706	XXKVWQNGTUSFSH-NXEZZACHSA-N	224.304	2.546	30	50	BFEA	
C[C@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1	173149226	CVPKCOMRANMUBF-GUOLPTJISA-N	240.306	2.582	30	50	BFEA	
O=C[C@@H]1CCc2c(ccc3ccccc23)C1=O	38193441	BVSWMUCFLFSYQL-NSHDSACASA-N	224.259	2.784	30	50	BFEA	
C=CCC[C@H](O)CN1CCCC[C@@H](SC)C1	246961130	UYYJJBGJANYLBL-QWHCGFSZSA-N	243.416	2.531	30	50	BFEA	
C[C@@]1(c2ccccc2C(F)(F)F)O[C@@H]1C#N	380484292	XOYUBSTXGKVICW-ZJUUUORDSA-N	227.185	2.843	30	50	BFEA	
C=CCNC(=O)Nc1ccc(F)c(Cl)c1	6699667	SFBRZJDNFVNCGQ-UHFFFAOYSA-N	228.654	2.787	30	50	BFEA	
O=C1C2=C(C(=O)c3ccccc31)[C@H]1C=C[C@H]2CC1	100938778	MDJZPMOKQTXXEH-UWVGGRQHSA-N	236.270	2.958	30	50	BFEA	
C=CCN[C@@H](C)c1cc(Cl)ccc1O	130679656	DHROEIWZWDUNIX-QMMMGPOBSA-N	211.692	2.882	30	50	BFEA	
C[C@@H]1C[C@H](O)[C@]23O[C@]12CC(C)(C)C[C@@H]1C[C@]13C	257357264	MXKDLMFRHRQDKD-MJMJJYSYSA-N	236.355	2.741	30	50	BFEA	
O=C1CCCC(=NNc2ccccc2)C1	242400256	ASBKHKGFGCNQJB-UHFFFAOYSA-N	202.257	2.598	30	50	BFEA	
CC#CC(=O)Nc1cc(C)cc2cccnc12	1775988388	MINGDHNPPRKJGL-UHFFFAOYSA-N	224.263	2.505	30	50	BFEA	
CCOC(=O)[C@@](C#N)(CC)C1=CCCCC1	4577416	FZEJSHBZNNNLCB-CYBMUJFWSA-N	221.300	2.970	30	50	BFEA	in-vitro
C=CCOc1ccccc1CN1CCCC1	4988530	JRHQZOZSIBBCMO-UHFFFAOYSA-N	217.312	2.847	30	50	BFEA	
C=C(C)COc1ccc(C(=O)NC(C)C)cc1	12137998	ZXRRFRIVXHZAEF-UHFFFAOYSA-N	233.311	2.780	30	50	BFEA	
CC[C@](C)(C#N)C(=O)Nc1ccc(F)cc1	136174215	OFQIYQPAHWNDSQ-GFCCVEGCSA-N	220.247	2.704	30	50	BFEA	
N#C[C@@H]1CC[C@H](N2CC[C@H](c3ccncc3)C2)C1	571578326	IJRIRIVJFINNFM-SNPRPXQTSA-N	241.338	2.563	30	50	BFEA	
N#Cc1cccnc1NCCCC[C@@H]1CCCO1	826796108	NRHJZSSPNGBXEJ-CYBMUJFWSA-N	245.326	2.714	30	50	BFEA	
C=C(Cl)CNc1ccc([N+](=O)[O-])cc1	5224897	ACFSWZFSITVARV-UHFFFAOYSA-N	212.636	2.759	30	50	BFEA	
CC[C@](C)(C#N)C(=O)Nc1cccc(F)c1	136173587	CVGNWPGTAOUOCF-GFCCVEGCSA-N	220.247	2.704	30	50	BFEA	
N#CCCCn1c(=O)oc2ccc(Cl)cc21	9237231	XMWKEWCMBFFTRE-UHFFFAOYSA-N	236.658	2.552	30	50	BFEA	
Oc1ccc(/N=C/c2ccccc2O)cc1	13302596	POLJRSQMPKDDIY-NTEUORMPSA-N	213.236	2.848	30	50	BFEA	
CCOc1cccc(Br)c1C#N	85477032	DSKBMPDFXIBMJK-UHFFFAOYSA-N	226.073	2.719	30	50	BFEA	in-vitro
CC1=CC(=O)C[C@@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12	1077995394	HVQUXKMKKKGSSD-IPYPFGDCSA-N	246.306	2.564	30	50	BFEA	biogenic
C=C1C(C)(C)[C@H]2CC[C@@]1(C(=O)NCC)C2	100266952	WWKODCHKNNHTJY-GXFFZTMASA-N	207.317	2.505	30	50	BFEA	
C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@H](F)C1	335090592	HAQOOWSWGVKINL-VHSXEESVSA-N	213.296	2.596	30	50	BFEA	
Oc1cccc(/C=N/N=C/c2cccc(O)c2)c1	2566621	RNYGIOAXUUJHOC-KAVGSWPWSA-N	240.262	2.551	30	50	BFEA	
N#Cc1ccc(Br)c(F)c1F	16159965	ITPYJIMXMPQSBK-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
C=CCCc1ccc2c(N)c(C#N)sc2n1	23550081	XABYOIFWGMOQHG-UHFFFAOYSA-N	229.308	2.869	30	50	BFEA	
CC(=N\Nc1ccccc1)/C(Cl)=N\O	97944374	HCEWSPXKKBQMGQ-IKHCGPGZSA-N	211.652	2.501	30	50	BFEA	
CC1(C)OB(c2sccc2Cl)OC1(C)C	169746052	UAAAZOFUOOBDBI-UHFFFAOYSA-N	244.552	2.701	30	50	BFEA	
C=C/C(O)=N/[C@@H]1CCC(O)=N[C@H]1C(C)(C)C	328597433	HERSNSNOLHDTQT-LDYMZIIASA-N	224.304	2.663	30	50	BFEA	
Cn1cc(-c2ccc(Cl)cc2)cc(C#N)c1=O	1388555	DNMWCFZJXGSDGE-UHFFFAOYSA-N	244.681	2.577	30	50	BFEA	
CC(C)Oc1ccc(C(=O)CC#N)cc1	2579793	SMJDHQGDATWMDR-UHFFFAOYSA-N	203.241	2.570	30	50	BFEA	in-vitro
COc1ccc(/C=N/Nc2ccccc2)cc1O	3899993	HWHLOERLLHQEAN-XNTDXEJSSA-N	242.278	2.847	30	50	BFEA	biogenic
CC(=O)[C@H](C#N)c1ccc(Br)cc1	22126412	KBODHHFICHANMJ-JTQLQIEISA-N	238.084	2.645	30	50	BFEA	in-vitro
CCC[C@]1(C(=O)OCC)O[C@@]1(C)C(C)(C)C	212046417	LXPBJSGLJNJYAI-QWHCGFSZSA-N	228.332	2.923	30	50	BFEA	
C=CCn1c(=O)[nH]c2cc(Cl)c(Cl)cc21	71773015	BFUPULVWFQWRQJ-UHFFFAOYSA-N	243.093	2.822	30	50	BFEA	
N#Cc1c([N+](=O)[O-])cc2c3c(cccc13)COC2	147999854	POHSOAQCQWVUHA-UHFFFAOYSA-N	240.218	2.650	30	50	BFEA	
c1ccc2c(c1)[C@H]1[C@H]3C4C5[C@]16C[C@@H]1O[C@H]1C[C@]56[C@@H]2[C@@H]43	254301514	QOAVIKPCPRLNQD-DTEASNPGSA-N	248.325	2.921	30	50	BFEA	
C[C@@]1(c2ccccc2Br)O[C@@H]1C#N	306187922	BHHJTSQEEMFIEA-ZJUUUORDSA-N	238.084	2.587	30	50	BFEA	
Cc1cc(/C(O)=N/C[C@@H]2CC[C@H](C)C2)cc(O)n1	331060295	BRANEHKNDHBBRR-GXSJLCMTSA-N	248.326	2.836	30	50	BFEA	
C=CCc1cc(C(=O)N2CCCCC2)ccc1O	464715	HHLPDRCRRDEWEL-UHFFFAOYSA-N	245.322	2.747	30	50	BFEA	biogenic
N#Cc1cc(Cl)ncc1C(F)(F)F	77027072	OKPDZBFTNATSFA-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	
C=C/C(O)=N/Cc1cc2c(cc1OC)C[C@@H](C)O2	328594277	OXJWVSJTIDHARA-SECBINFHSA-N	247.294	2.661	30	50	BFEA	
N#C[C@@H](Cc1ccccc1)Sc1ncccn1	603961176	OAKKYZJRBDAOBF-GFCCVEGCSA-N	241.319	2.704	30	50	BFEA	
N#Cc1cccc(-c2cccc(CC(=O)O)c2)c1	1258047	HMYJGENGCMXDLR-UHFFFAOYSA-N	237.258	2.852	30	50	BFEA	in-vitro
C=C(C)[C@@H]1CC=C(CN2CCC(O)CC2)CC1	4988975	JARDXKIBQBFSOC-CQSZACIVSA-N	235.371	2.746	30	50	BFEA	
N#CCc1cccc(Br)c1F	16158450	JKRBRQNAVKGEHZ-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
CCN(Cc1ccccc1C#N)C[C@@H]1CCCO1	42337930	WCHYCUQZVDITEC-HNNXBMFYSA-N	244.338	2.559	30	50	BFEA	
Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)c(C)c1	169985696	MUSASZSRBLWJQA-UHFFFAOYSA-N	246.159	2.911	30	50	BFEA	in-vitro
CCCC[C@@H](C=O)Oc1ccc([N+](=O)[O-])cc1	214493253	UXPHQJIZAVORDI-LBPRGKRZSA-N	237.255	2.731	30	50	BFEA	
Cc1c(Cl)cccc1C(=O)NC(C)(C)C#N	219676094	KHJCXPZCFYPBMP-UHFFFAOYSA-N	236.702	2.680	30	50	BFEA	
Nc1ccccc1C=NNc1ccccc1	254819267	LCPNCBSCOIMOBC-UHFFFAOYSA-N	211.268	2.715	30	50	BFEA	
Cc1cc(C=O)c(C)n1-c1ccc(C#N)cc1	333958	AZYQCNIOZJETFM-UHFFFAOYSA-N	224.263	2.778	30	50	BFEA	
CCOC(=O)[C@@H](CC)[n+]1ccc2ccccc2c1	5664444	SAAUQWPRGNFVTO-CQSZACIVSA-N	244.314	2.642	30	50	BFEA	
C#CCN(C)C(=O)Nc1ccc(Cl)cc1F	170616965	RAACKUCGRVYQJS-UHFFFAOYSA-N	240.665	2.576	30	50	BFEA	
C=C1CSc2ccccc2N1C(C)=O	196467231	VQBOTJUJTLWENP-UHFFFAOYSA-N	205.282	2.659	30	50	BFEA	
C=C1C(=O)O[C@@H]2[C@@H]1CCC(C)=CCC[C@]1(C)O[C@H]21	253986898	KTEXNACQROZXEV-BHPKHCPMSA-N	248.322	2.762	30	50	BFEA	biogenic,in-vitro
Cc1cccc[n+]1CC(=O)c1ccc(Cl)cc1	1593407	BORRMYLVRDFGEY-UHFFFAOYSA-N	246.717	2.819	30	50	BFEA	
Cc1cc(-c2ccc(Cl)cc2)[nH]c(=O)c1C#N	2521035	QLPLXCVOLQXNHH-UHFFFAOYSA-N	244.681	2.875	30	50	BFEA	
N#C[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1	3995935	GHZHWDWADLAOIQ-CYBMUJFWSA-N	239.274	2.948	30	50	BFEA	biogenic,in-vitro
C=CCC(=O)N1CCC[C@@H](Nc2ccccc2)C1	12448776	GQPUBJURGIFEQE-CQSZACIVSA-N	244.338	2.666	30	50	BFEA	
COCCC/N=C1\CCCc2ccccc2N1	96027459	GVCZTQYZZPTOMD-UHFFFAOYSA-N	232.327	2.870	30	50	BFEA	
CC1(C)OB(/C=C/c2ccccn2)OC1(C)C	206030610	CTWJAXMMJWFSDO-CMDGGOBGSA-N	231.104	2.726	30	50	BFEA	
N#Cc1c(N)c(Cl)cc(Br)c1F	15443825	IRFNZWZNSTWZMB-UHFFFAOYSA-N	249.470	2.695	30	50	BFEA	
Cc1c(Br)cc(C#N)n1C(F)F	95496193	XCPAHUDFVKPHGY-UHFFFAOYSA-N	235.031	2.826	30	50	BFEA	in-vitro
CCCc1ccc([C@@]2(C)O[C@H]2C#N)cc1	306524135	XGQQHRHUJQTYIR-QWHCGFSZSA-N	201.269	2.777	30	50	BFEA	
COc1ccc(NC(=O)ON=C(C)C)cc1	241245	BKBDFZVAQSUPAZ-UHFFFAOYSA-N	222.244	2.640	30	50	BFEA	
C#CC(O)(c1ccccc1)c1ccccc1	1704130	SMCLTAARQYTXLW-UHFFFAOYSA-N	208.260	2.556	30	50	BFEA	in-vitro
F[C@H]1[C@@H](F)C(F)(F)C(F)(F)C1(F)F	95676664	QVEJLBREDQLBKB-XIXRPRMCSA-N	214.055	2.582	30	50	BFEA	in-vitro
C#CCCCCC(=O)OCc1ccnc(C)c1	585114104	SHMLMPOYTBLREO-UHFFFAOYSA-N	231.295	2.627	30	50	BFEA	
N#C[C@@]12O[C@@]1(Cl)CCCC2(Cl)Cl	494869	VXCVLHHMGCTERU-FSPLSTOPSA-N	226.490	2.572	30	50	BFEA	
N#CC[C@@H]1CN2CC[C@H]1[C@@H](c1ccccc1)C2	4723168	RTHQMNDUVQEPLS-RBSFLKMASA-N	226.323	2.636	30	50	BFEA	
C#CCn1cc(/C=C/[N+](=O)[O-])c2ccccc21	463842	GBJIGSKQFPXRPZ-VQHVLOKHSA-N	226.235	2.522	30	50	BFEA	
C=C(CCCCCCCC(=O)O)C(=O)OC	31154989	ZUNJWEGRDSXKIO-UHFFFAOYSA-N	228.288	2.531	30	50	BFEA	biogenic,in-vitro
C[C@H]1C[C@H](C=O)C[C@@H](C)N1Cc1ccccc1	250891290	DRTZROGRXLURID-AGGWBTHJSA-N	231.339	2.875	30	50	BFEA	
CCCC[C@H](C#N)SC[C@@H]1CCCO1	1875369135	RZERLCKPMDYVQT-WDEREUQCSA-N	213.346	2.981	30	50	BFEA	
C=CCN[C@@H](C)c1c(O)cc(F)cc1F	130728135	WLTVVEIXGLNYKF-ZETCQYMHSA-N	213.227	2.507	30	50	BFEA	
CCCC[C@@H](C#N)SC[C@H]1CCCO1	1875369133	RZERLCKPMDYVQT-MNOVXSKESA-N	213.346	2.981	30	50	BFEA	
N#CCc1ccc(C(=O)c2ccco2)s1	1400976	SXTQQHWWAHIESA-UHFFFAOYSA-N	217.249	2.638	30	50	BFEA	
O=Cc1ccc(/C=N/Nc2ccccc2)cc1	4826021	AUYRJHAJSCNGEN-XNTDXEJSSA-N	224.263	2.945	30	50	BFEA	
CNC(=O)c1ccc(C#CCC2CCCC2)o1	1506398556	DYWVUQIAMCSPAJ-UHFFFAOYSA-N	231.295	2.571	30	50	BFEA	
O=C(NO)c1sc2ccccc2c1Cl	307965	HRXULFWGEYSULN-UHFFFAOYSA-N	227.672	2.674	30	50	BFEA	in-vitro
O/N=C1\CC[C@H]2CN(C3CCCCC3)C[C@H]2C1	4977168	LTSLFNBPLYFMAG-ZZDFFKCPSA-N	236.359	2.881	30	50	BFEA	
N#CC1(c2nc3ccccc3s2)CC1	91692805	XYTVIWNRWFXXSV-UHFFFAOYSA-N	200.266	2.851	30	50	BFEA	in-vitro
C[Si](C)(C)C#CC(=O)Cc1ccccc1	169894363	LTMMBZAAXWLFCH-UHFFFAOYSA-N	216.356	2.679	30	50	BFEA	in-vitro
C[C@@H]1CCN(CCC#N)[C@@H]2CCCC[C@H]12	242305017	YUBPZRYARLEOFT-JHJVBQTASA-N	206.333	2.801	30	50	BFEA	
C[C@@]1(C#N)CCCN(C2Cc3ccccc3C2)C1	670450501	JJFAFISUKAOGPZ-INIZCTEOSA-N	240.350	2.779	30	50	BFEA	
CC(=O)C1=Cc2c(Cl)cccc2OC1	675082333	YMNDYAMJAPTDNN-UHFFFAOYSA-N	208.644	2.705	30	50	BFEA	
C=CCNC(=O)Nc1ccccc1Cl	2161686	AWTCJUDXLFXAQY-UHFFFAOYSA-N	210.664	2.648	30	50	BFEA	
C=CCNC(=O)Nc1cc(Cl)ccc1C	2170963	ZJYOXEBMFBRHBK-UHFFFAOYSA-N	224.691	2.956	30	50	BFEA	
CCCCCCCN1C(=O)CSC1=S	2382982	RVEZMHNHYRWSBL-UHFFFAOYSA-N	231.386	2.817	30	50	BFEA	
O=C1CCCC/C1=C/NCc1ccccc1	2833642	KLVAWWSRXIGVML-QBFSEMIESA-N	215.296	2.803	30	50	BFEA	
COc1cccc(/C=C/C(=O)c2cccnc2)c1	5671056	NGWVEROYSKVAKD-BQYQJAHWSA-N	239.274	2.986	30	50	BFEA	
N=C(O)C1(/N=C(/O)[C@H]2CC23CCCC3)CC1	330247302	YUDUYVUZECXFCR-MRVPVSSYSA-N	222.288	2.591	30	50	BFEA	
CC(C)C[C@](C)(C#N)/N=C(/O)c1cccnc1	330483447	UVVAKBBNOITXSX-CYBMUJFWSA-N	231.299	2.715	30	50	BFEA	
CO[C@H](CCC#N)OCC(Cl)(Cl)Cl	43199159	KKOBYTZVHZUIER-LURJTMIESA-N	246.521	2.649	30	50	BFEA	
N#Cc1c(F)cc(F)cc1Br	258830386	FXAHYHGFMOWUAL-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
C=CCNC(=S)Nc1ccccc1Cl	3468712	FWQCKIRVRGDMSB-UHFFFAOYSA-N	226.732	2.812	30	50	BFEA	
N#Cc1cc2c(Br)cccc2[nH]1	81991251	XFDNTTNQXSIPDZ-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	
COC(=O)c1c(Cl)cc(C#N)cc1Cl	84193606	SFGSLCVSCBZCIC-UHFFFAOYSA-N	230.050	2.652	30	50	BFEA	
COc1ccc([C@@H]2CC[C@H]2NC[C@@H](C)C#N)cc1	1616182400	PSFSVSSSLRJJIE-TUKIKUTGSA-N	244.338	2.690	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCC[C@@H](CO)C2)CC1	219494	QQVARLSXVZRUCB-CVEARBPZSA-N	249.398	2.993	30	50	BFEA	
Cc1cc(C)c(C(=O)C[n+]2ccccc2)c(C)c1	1669539	OQFCYVDTSFJJKX-UHFFFAOYSA-N	240.326	2.782	30	50	BFEA	
CC(=O)C/C(C)=N/c1ccc([N+](=O)[O-])cc1	100069106	KNBUYZVBVBGNPG-XYOKQWHBSA-N	220.228	2.666	30	50	BFEA	
C[C@@H](C#N)[C@H]1CCCN1C(=O)OC(C)(C)C	214621621	RWMFSSOBMVTXJK-VHSXEESVSA-N	224.304	2.546	30	50	BFEA	in-vitro
C[C@@]1(c2cccc3ccccc23)O[C@@H]1C#N	309434038	GXVOJQXMUDZHGY-KGLIPLIRSA-N	209.248	2.977	30	50	BFEA	
Cc1nc(-c2ccccc2OC[C@@H]2CO2)cs1	1875379896	ZCMDOJYNDYCEQU-JTQLQIEISA-N	247.319	2.896	30	50	BFEA	
N#Cc1ccccc1/N=C/N1CCCCC1	331439	HTXOPQWFLWYHOQ-RVDMUPIBSA-N	213.284	2.704	30	50	BFEA	
N#Cc1cccc(CNc2ccncc2F)c1	192150813	ACRVHVFTLGOXIA-UHFFFAOYSA-N	227.242	2.704	30	50	BFEA	
Cc1ncsc1-c1ccc(C#N)c(O)c1	223342200	VCLMFUPNCBAJRW-UHFFFAOYSA-N	216.265	2.696	30	50	BFEA	
Cc1cc(C#N)c(-c2c(C)n[nH]c2C)nc1C	426571572	HCSGLESPRQIOAO-UHFFFAOYSA-N	226.283	2.577	30	50	BFEA	
C[C@@H](C#N)n1cc(-c2ccccc2F)cn1	1875332116	FGVRZUAWRCGHBT-VIFPVBQESA-N	215.231	2.774	30	50	BFEA	
CC#CCCC(=O)Nc1ccccc1F	2761500	CBZOKGMYNJQIBF-UHFFFAOYSA-N	205.232	2.568	30	50	BFEA	
CC(C)(C)OC(=O)NC1(C#N)CCCCC1	6744805	FHEWQQKIHCOSKJ-UHFFFAOYSA-N	224.304	2.738	30	50	BFEA	
N#Cc1cccnc1NCc1ccc(F)cc1	19485536	QNCLYUZPZYWWRK-UHFFFAOYSA-N	227.242	2.704	30	50	BFEA	
CN(C)/C=C/C(=O)/C=C\C=C\c1ccccc1	169676085	UBLXAPPOEZMQTH-BIMANIMTSA-N	227.307	2.900	30	50	BFEA	
C=CCCc1cc(OC)ccc1C(=O)O	2024000	SJIUUFKNYXBKLK-UHFFFAOYSA-N	206.241	2.512	30	50	BFEA	
O=C(/C=C\Nc1ccccn1)c1ccccc1	16451238	WXSJJFDDJPPOOO-LUAWRHEFSA-N	224.263	2.890	30	50	BFEA	
N#CCCCN1CCC(C(F)(F)F)CC1	78876688	SKLPHRHEDHFZDD-UHFFFAOYSA-N	220.238	2.564	30	50	BFEA	
C=CCN(CC=C)C(=O)c1c(F)cccc1F	16579937	CGQNRPGHLITHJS-UHFFFAOYSA-N	237.249	2.779	30	50	BFEA	
N#Cc1cnc(C(F)(F)F)cc1Cl	139595269	NAIFZQCXPOLWKI-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	in-vitro
C=CCn1cnc2sc3c(c2c1=O)CCCC3	306507	XAJZHCWUJCCWCM-UHFFFAOYSA-N	246.335	2.523	30	50	BFEA	
N#Cc1ccc(NC(=O)c2cccc(F)c2)cc1	859953	VCDFFOJUFXAXQL-UHFFFAOYSA-N	240.237	2.950	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCC[C@H](CO)C2)CC1	4987570	QQVARLSXVZRUCB-HOTGVXAUSA-N	249.398	2.993	30	50	BFEA	
O=CCCc1cccc(C(F)(F)F)c1	22067288	APCCHYPQHODSBD-UHFFFAOYSA-N	202.175	2.837	30	50	BFEA	in-vitro
N#Cc1c[nH]c2cc(Br)c(F)cc12	66054854	HQQFKUFAZVTFQV-UHFFFAOYSA-N	239.047	2.941	30	50	BFEA	in-vitro
C=C(C)C(=O)Oc1ccc(OC(=O)C(=C)C)cc1	90615361	MDMKOESKPAVFJF-UHFFFAOYSA-N	246.262	2.650	30	50	BFEA	
N#C[C@]12O[C@@]1(Cl)CCCC2(Cl)Cl	494868	VXCVLHHMGCTERU-VDTYLAMSSA-N	226.490	2.572	30	50	BFEA	
N#Cc1cc(OC(F)(F)F)ccc1F	2527817	MFLGNKVMGUFLOV-UHFFFAOYSA-N	205.110	2.596	30	50	BFEA	in-vitro
C=CC(=O)c1ccc(Br)cc1	2579501	NALJNNVTRUWQKR-UHFFFAOYSA-N	211.058	2.818	30	50	BFEA	
C=CCNc1nnc(Cc2ccccc2)s1	2866931	YBQMJOPFEXBHDM-UHFFFAOYSA-N	231.324	2.727	30	50	BFEA	
O=C1Nc2ccccc2/C1=N/c1ccccc1	13465608	XHQFUPTZQYGGHC-UHFFFAOYSA-N	222.247	2.760	30	50	BFEA	
N#Cc1ccc([C@@H](O)c2ccc(F)cc2)cc1	38339595	VLJOTZAUMWJXDO-CQSZACIVSA-N	227.238	2.779	30	50	BFEA	in-vitro
CC[C@@]1(c2cccc(Cl)c2)O[C@@H]1C#N	307540551	WHPRCJPOYOQNLK-MNOVXSKESA-N	207.660	2.868	30	50	BFEA	
O=Cc1ccc(C#Cc2ccccc2)s1	161430	YFMUACLZRVJOBK-UHFFFAOYSA-N	212.273	2.960	30	50	BFEA	in-vitro
N#Cc1cc([N+](=O)[O-])cc(Cl)c1Cl	98214293	WNZMKLNDPCMSLI-UHFFFAOYSA-N	217.011	2.773	30	50	BFEA	
CC1(C)OB(c2cccc3ccoc23)OC1(C)C	169743735	DNZVVIZYTCIYNY-UHFFFAOYSA-N	244.099	2.732	30	50	BFEA	in-vitro
CC(=O)O[C@]1(C#N)C[C@H]2C[C@H]1C1=C2[C@H]2CC[C@H]1C2	257355987	FAVSZTHTIFYDML-HJHSNUOESA-N	243.306	2.578	30	50	BFEA	
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@@]2(C)O[C@@H]12	104288359	DGWBAYBQBBTILR-NRYLCXMISA-N	246.306	2.836	30	50	BFEA	
O=C(O)CCC(F)(C(F)(F)F)C(F)(F)F	2530927	ZKMKCYOZMOVHGJ-UHFFFAOYSA-N	242.090	2.684	30	50	BFEA	
Cc1cccnc1/C=C\C(=O)c1cccnc1	4531832	NFJPONLOHQMTNY-SREVYHEPSA-N	224.263	2.681	30	50	BFEA	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/Nc1cnccn1	229723356	BTBQCCDJXHPWFM-UFEKZKASSA-N	242.326	2.867	30	50	BFEA	
C=CCOc1ccc2oc(=O)cc(C)c2c1	2334305	ZCDCGUYMOOCLSZ-UHFFFAOYSA-N	216.236	2.666	30	50	BFEA	biogenic
CCCC[C@H]1CCCC/C1=N\NC(N)=S	55524986	HWRKNYSKNQUSOQ-CVZWZAMJSA-N	227.377	2.556	30	50	BFEA	
C/C(O)=C\C(C)=N\[C@H](Cc1ccccc1)C(=O)O	100509221	XEFDMJHLBUTSCZ-VRWSQJEKSA-N	247.294	2.605	30	50	BFEA	
N#Cc1ccc(OCC(=O)c2ccccc2)cc1	4829052	YNRSQNVZOZVINS-UHFFFAOYSA-N	237.258	2.820	30	50	BFEA	
C=CCNC(=O)CCc1ccccc1Cl	10457854	AATZWGAXVNSMOA-UHFFFAOYSA-N	223.703	2.575	30	50	BFEA	
CC1(C)OB(/C=C/c2cccc(N)c2)OC1(C)C	950757487	JXBMNXGLSSARJS-CMDGGOBGSA-N	245.131	2.913	30	50	BFEA	
Cc1cc(C(=O)CC#N)c(C(F)(F)F)o1	113377	FJIIDKSIRKJEOJ-UHFFFAOYSA-N	217.146	2.703	30	50	BFEA	in-vitro
N#C[C@H](c1ccccc1)c1ccc(N)cc1	394719	ICAAICSDOCMEKS-CQSZACIVSA-N	208.264	2.924	30	50	BFEA	
N#Cc1ccc(Oc2cccnc2)cc1C#N	453260	PLUZIFDYUWBQSQ-UHFFFAOYSA-N	221.219	2.617	30	50	BFEA	
Cc1cccc(/C=N\OCCC(C)C)n1	4577826	NDDRFVVJLAAPDP-LCYFTJDESA-N	206.289	2.787	30	50	BFEA	
CNCC#CCOc1cccc(C(C)(C)C)c1	12381764	CTZXYSWDBJBJQM-UHFFFAOYSA-N	231.339	2.586	30	50	BFEA	
C=CC[C@H](CC=O)OCc1ccc(OC)cc1	43763155	HMNKEKXHMQISRD-CQSZACIVSA-N	234.295	2.746	30	50	BFEA	
Cc1nc(-c2ccc(OC[C@@H]3CO3)cc2)cs1	1875379935	ZYFNIIIOSFYGOP-GFCCVEGCSA-N	247.319	2.896	30	50	BFEA	
C=CCN(CC=C)C(=O)Nc1cccc(OC)c1	396656	PKUKGFOKMZLDJH-UHFFFAOYSA-N	246.310	2.901	30	50	BFEA	
O=C(/C=C\c1ccccc1)c1cccnc1	4566903	PINRHPDVUJVFDC-HJWRWDBZSA-N	209.248	2.978	30	50	BFEA	
O/N=C(\c1ccccc1)[C@@H](O)c1ccccc1	8381481	WAKHLWOJMHVUJC-MRPLLJTBSA-N	227.263	2.599	30	50	BFEA	in-vitro
Cc1c(C#N)cnc2c(-c3ccccc3)cnn12	1848443191	YPSDHEZFBSMVCO-UHFFFAOYSA-N	234.262	2.576	30	50	BFEA	
CN(C)/C=C/C(=O)c1ccc(Cl)cc1	142346	TWBABRJLWCBTBS-BQYQJAHWSA-N	209.676	2.598	30	50	BFEA	
C=CCc1cc(Br)ccc1O	1562053	SWBCZCKHMGPYIP-UHFFFAOYSA-N	213.074	2.883	30	50	BFEA	
C=CCNC(=O)Nc1ccc(Cl)cc1	1807049	IXOORKMHZKVPBC-UHFFFAOYSA-N	210.664	2.648	30	50	BFEA	
Cc1ccc(C(=O)C[n+]2cc(C)cc(C)c2)cc1	1832571	ZTGDSBFRYXYJKX-UHFFFAOYSA-N	240.326	2.782	30	50	BFEA	
N#CCCn1c(=O)sc2cccc(Cl)c21	3107027	HHNKUSOMFSIDJJ-UHFFFAOYSA-N	238.699	2.630	30	50	BFEA	
C[C@@H](Nc1ccc(C#N)nc1)c1ccncc1	125890007	GMXMXRUDUKVEHT-SNVBAGLBSA-N	224.267	2.521	30	50	BFEA	
CCn1nccc1-c1nc(C(C)C)ccc1C#N	426530859	OXWSFDVSFDTAPZ-UHFFFAOYSA-N	240.310	2.960	30	50	BFEA	
Cc1cccc(C(=O)Nc2ccc(C#N)cn2)c1	1406462	QZBZRFDAHCPLGE-UHFFFAOYSA-N	237.262	2.514	30	50	BFEA	
O=C(/C=C/c1ccccc1)c1cc(O)ccc1O	3898703	PZVRZRARFZZBCA-SOFGYWHQSA-N	240.258	2.994	30	50	BFEA	endogenous,in-man
CC1(C)CC(=O)C(=CNc2ccccc2)C(=O)C1	100140075	KAKVULZOERVUHW-UHFFFAOYSA-N	243.306	2.941	30	50	BFEA	
CN1CCC/C1=C\C=Nc1ccccc1	334157219	AAYDNUMRZKVGCA-HSPZGYKOSA-N	200.285	2.998	30	50	BFEA	
N#Cc1ncc(C(F)(F)F)cc1Cl	1384977	FUPKVFJSGNZICR-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	in-vitro
COc1ccc([C@@H]2C/C(=N\O)C(C)(C)O2)cc1	12341412	ZTAREMLGSUJPPF-DLGQCPFBSA-N	235.283	2.765	30	50	BFEA	
COc1cc(OC)cc(C(C)(C)C#N)c1	16697867	HUNVEDXBDXUTNF-UHFFFAOYSA-N	205.257	2.505	30	50	BFEA	
CS/C(=N/C#N)Nc1cccc(Cl)c1	87587295	RVHKBIQFMDGXJL-UHFFFAOYSA-N	225.704	2.952	30	50	BFEA	
CN(Cc1ccc(C#N)cc1)c1ccc(F)cn1	252549072	QRTJFHPRBNHFLH-UHFFFAOYSA-N	241.269	2.729	30	50	BFEA	
CC(C)(C)C(=O)Nc1ccc(CC#N)cc1	12971317	PBHKMNYSCUKBIJ-UHFFFAOYSA-N	216.284	2.737	30	50	BFEA	
Cc1ccc(S(=O)(=O)OCCC2CC2)cc1	91302552	JVOCWIRGDNWGKH-UHFFFAOYSA-N	240.324	2.500	30	50	BFEA	
C=C(C)CNCc1cccc2[nH]ccc12	153387553	AVKVBAKNHPWEPF-UHFFFAOYSA-N	200.285	2.834	30	50	BFEA	
C=CC/N=C(/S)Nc1ccc(N(C)C)cc1	5549648	GPVHHIJERGQLKI-UHFFFAOYSA-N	235.356	2.636	30	50	BFEA	
C=C(C)C(=O)N(CC)c1cccc(C)c1	2160124	LLMLHXSJIKTFPN-UHFFFAOYSA-N	203.285	2.924	30	50	BFEA	
C=CCC1(NCc2ccco2)CCN(CC)CC1	5091211	ZULZYLDSUVAWLR-UHFFFAOYSA-N	248.370	2.800	30	50	BFEA	
N#Cc1cc(Cl)c(Cl)nc1Cl	79052329	FXYJHWZGUONOAL-UHFFFAOYSA-N	207.447	2.913	30	50	BFEA	in-vitro
CC[N+](CC)(CC)Cc1ccc(C#N)o1	312951	KPHSFUDRFZASDB-UHFFFAOYSA-N	207.297	2.528	30	50	BFEA	
C=C(C)COc1ccc(NC(=O)C2CC2)cc1	9813047	AWIXLQQTXUFAOM-UHFFFAOYSA-N	231.295	2.990	30	50	BFEA	
C=CCOc1cc(C)nc(-c2ccccc2O)n1	13125550	QDKXKCCJLNSWEZ-UHFFFAOYSA-N	242.278	2.722	30	50	BFEA	
CS[C@@H](C)Cc1nc2cc(C#N)ccc2[nH]1	67850485	RDQADIGCGQSTHP-QMMMGPOBSA-N	231.324	2.729	30	50	BFEA	
N#Cc1cc(F)c(F)cc1OC(F)(F)F	263625103	WTJTVTXCLXCFEL-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
C=C1CCN(C(=O)[C@H]2CCC(F)(F)C2)CC1	336342191	FDDFYEDJJWKJIO-JTQLQIEISA-N	229.270	2.600	30	50	BFEA	
C=CCCCCCCC[C@@H](O)C(=C)C(=O)OC	43198587	PJSDNPFPEBWQRR-CYBMUJFWSA-N	240.343	2.993	30	50	BFEA	
CC[C@@H](/N=C(O)/C=C/C(=O)O)c1ccccc1	82068101	BAEZIAZBAGGVTC-ANYFNZRUSA-N	233.267	2.735	30	50	BFEA	
CC(=O)c1ccc(C[C@@H](C)N(C)CCC#N)cc1	96027969	HGTPXXZKZQECOO-GFCCVEGCSA-N	244.338	2.666	30	50	BFEA	
C=C(C)CN(CC)C(=O)Nc1cccc(C)n1	122119246	DYEJMPIOTCPMFT-UHFFFAOYSA-N	233.315	2.820	30	50	BFEA	
C=CCC[C@H](C)Nc1cc(C(N)=O)ccc1C	195561779	KZZIBZRZUIKDLI-NSHDSACASA-N	232.327	2.861	30	50	BFEA	
CC(C)(C#N)c1ncccc1Br	216768241	PXTFAFJKPMABGV-UHFFFAOYSA-N	225.089	2.645	30	50	BFEA	
C=CCCCCCN1CC[S@@](=O)CC[C@H]1C	328587678	FBSSBVXFSQVUCN-CJNGLKHVSA-N	243.416	2.576	30	50	BFEA	
CCSCCS[C@@H](C#N)C1CC1	585118746	AHSVTXCBEXZNEN-VIFPVBQESA-N	201.360	2.775	30	50	BFEA	
N#Cc1c(Cl)cccc1Br	2651891	NVPXACXEVCJWCF-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
C=CCc1c(C)nc2ccc(C(=O)O)cc2c1O	8738495	WHQPHLFUQUQLHB-UHFFFAOYSA-N	243.262	2.676	30	50	BFEA	biogenic
C=CC[C@@](C)(O)[C@@](O)(CC=C)c1ccccc1	43198570	IUCMAUZVAJBOCY-HUUCEWRRSA-N	232.323	2.777	30	50	BFEA	
C=CCC[C@H](CC)N[C@@H](C)[C@H]1CCCO1	241383263	MTSQDODKZFGCOJ-RWMBFGLXSA-N	211.349	2.888	30	50	BFEA	
Cc1cccc(-c2nc(C#N)c(N(C)C)o2)c1	468320	QRMHELPSZJFYOS-UHFFFAOYSA-N	227.267	2.588	30	50	BFEA	
CN(/C(N)=N/CCCCC(C)(C)C)C1CC1	170594103	FDXIZBYELDEJIP-UHFFFAOYSA-N	225.380	2.612	30	50	BFEA	
C#C[C@](C)(O)CCc1c(C)cc(OC)c(C)c1C	235440	JXCJQKKRVOZZPW-INIZCTEOSA-N	246.350	2.937	30	50	BFEA	biogenic
N#CC1(c2ccc(Br)cn2)CCC1	95831192	LXWAHEQTYXIWOL-UHFFFAOYSA-N	237.100	2.789	30	50	BFEA	
CCc1ccccc1B1OC(C)(C)C(C)(C)O1	205325147	SAYRLTVCNLGXOW-UHFFFAOYSA-N	232.132	2.548	30	50	BFEA	
C=CC[C@@H]1CCCN(c2ncnc3[nH]ccc23)C1	664253416	LSDFXSACXXXECZ-LLVKDONJSA-N	242.326	2.750	30	50	BFEA	
N#CCC(=O)c1c[nH]c2cccc(Cl)c12	36047695	DNVRCOYPRROSOF-UHFFFAOYSA-N	218.643	2.918	30	50	BFEA	
CCCCCN/C=C/C(=O)c1ccccc1O	71774008	DKCFWILXOBFAMP-PKNBQFBNSA-N	233.311	2.868	30	50	BFEA	
C=CCN[C@H]1CCCOc2ccccc21	130685702	FRCUOTKKKYZKKT-LBPRGKRZSA-N	203.285	2.676	30	50	BFEA	
CC(C)CNC1=CC(=O)C[C@@H](c2ccco2)C1	13154067	HQHOUAWSPAQTBF-NSHDSACASA-N	233.311	2.856	30	50	BFEA	
N#CCN[C@H]1CCC[C@H]1Cc1ccccc1	170607284	PRORSFFSJNZCGC-KBPBESRZSA-N	214.312	2.511	30	50	BFEA	
N#Cc1ccc(NCc2cc(F)ccc2F)cn1	149410217	DVYMYSBPCLCMRR-UHFFFAOYSA-N	245.232	2.844	30	50	BFEA	
Cc1c(C#N)c(=O)oc2ccc(Cl)cc12	58083	JYTVXFGXASPMRG-UHFFFAOYSA-N	219.627	2.627	30	50	BFEA	biogenic
C=CC(F)(F)C(F)(F)Br	2584272	GVCWGFZDSIWLMO-UHFFFAOYSA-N	206.964	2.795	30	50	BFEA	biogenic,in-vitro
C=CCNC(=O)CSc1ccc(Cl)cc1	2961955	ASYARCQGPHAQHG-UHFFFAOYSA-N	241.743	2.734	30	50	BFEA	
C#CCOc1ccc2ccccc2c1/C=N/O	2988575	ZDDHBFOWPHXZRQ-XNTDXEJSSA-N	225.247	2.660	30	50	BFEA	
CC#CC(=O)NCc1cccc2ccsc12	1875376930	NJQHTQJXQHUAMT-UHFFFAOYSA-N	229.304	2.541	30	50	BFEA	
C#Cc1ccccc1CNC(=O)OC(C)(C)C	95830134	RSZRTXWCUFDWLA-UHFFFAOYSA-N	231.295	2.693	30	50	BFEA	
C=C1CCN(C(=O)OCc2ccccc2)C1	95707300	PZRAJGHBVXPIPV-UHFFFAOYSA-N	217.268	2.585	30	50	BFEA	
CCCCCCCCCC[C@@H](N)CO	100684743	VFAALMIZIKQCCB-GFCCVEGCSA-N	201.354	2.837	30	50	BFEA	
N#CCC(=O)Nc1ccc(Cl)c(Cl)c1	168222	HXXDPDIVNQZPCJ-UHFFFAOYSA-N	229.066	2.846	30	50	BFEA	in-vitro
C=C1C[C@H]2CCCCCC(=O)[C@@]2(C(=O)OC)C1	71786420	CNUWOLAIGBQHHH-BXUZGUMPSA-N	236.311	2.645	30	50	BFEA	
C#CCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2	164839772	MADVMWZHKDWTPZ-UHFFFAOYSA-N	245.366	2.685	30	50	BFEA	
O=C(/C=C\c1ccc(O)cc1)c1ccncc1	4566591	NTBHFVAUTUKRMT-UTCJRWHESA-N	225.247	2.683	30	50	BFEA	
O=C(CS)Nc1cc(Cl)ccc1Cl	5652620	IGTBRTDEGAGICZ-UHFFFAOYSA-N	236.123	2.862	30	50	BFEA	
COc1ccc(F)cc1-c1cc(C#N)ccn1	32520304	SSCIJPMKYWGRMJ-UHFFFAOYSA-N	228.226	2.768	30	50	BFEA	
C=CCCCCCCC[C@H](O)C(=C)C(=O)OC	43198588	PJSDNPFPEBWQRR-ZDUSSCGKSA-N	240.343	2.993	30	50	BFEA	
C=CC(=O)N(c1cc(C)ccc1C#N)C(C)C	1776003572	YHBKGSYQHDZPLA-UHFFFAOYSA-N	228.295	2.794	30	50	BFEA	
C=C1CC[C@]2([C@](C)(O)C[C@@H](O)C=C(C)C)C[C@@H]12	2332925117	IBMZBQSRIYNBIV-XQLPTFJDSA-N	236.355	2.811	30	50	BFEA	
N#Cc1ccc([C@@H]2CCCc3cncn32)cc1	6398	CLPFFLWZZBQMAO-AWEZNQCLSA-N	223.279	2.680	30	50	BFEA	biogenic,in-man
CC1(C)OB(CCc2ccncc2)OC1(C)C	195852153	CGOZUDINHQPJGX-UHFFFAOYSA-N	233.120	2.716	30	50	BFEA	
N#CCc1cc(OC(F)(F)F)ccc1F	2527814	HTFVCDAKICJOMB-UHFFFAOYSA-N	219.137	2.790	30	50	BFEA	
C=CC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O	5046589	AMINRBAYVKLJGE-JXMROGBWSA-N	233.223	2.639	30	50	BFEA	
C#CCn1c(CC(C)C)nc2ccccc21	12382396	HTASXOSMLIHSOG-UHFFFAOYSA-N	212.296	2.868	30	50	BFEA	
COc1cc2c(Cl)nccc2cc1C#N	95917527	AKLXWVUWJVQCMG-UHFFFAOYSA-N	218.643	2.768	30	50	BFEA	in-vitro
C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	250523955	NWAHZAIDMVNENC-RXGFPQBGSA-N	220.312	2.930	30	50	BFEA	
N#Cc1ccccc1-c1cc(N)c(F)cc1C#N	1875339682	UADSSJVNUNCIEJ-UHFFFAOYSA-N	237.237	2.818	30	50	BFEA	
Fc1ccc(/C=N/NC2=NCCCCC2)cc1	45532	PWWMTBKMVGMFBJ-MHWRWJLKSA-N	233.290	2.722	30	50	BFEA	
N#Cc1ccc(/N=C/c2cccc(O)c2O)cc1	292105	WBKRRJCLHBGPOH-CXUHLZMHSA-N	238.246	2.720	30	50	BFEA	
C=C1N2CCC(CC2)[C@]1(O)c1ccc(C)c(C)c1	355482	JCOFODPHNTXYLA-INIZCTEOSA-N	243.350	2.730	30	50	BFEA	
CC(C)C[C@@](C)(O)C#C[C@](C)(O)CC(C)C	1687071	LXOFYPKXCSULTL-KBPBESRZSA-N	226.360	2.584	30	50	BFEA	biogenic,in-vitro
N#Cc1cc(Cl)cc(Br)c1N	15443807	BWYLAELWYGJTEX-UHFFFAOYSA-N	231.480	2.556	30	50	BFEA	in-vitro
CCCCCCCCOC(=O)CS	59527030	MADOXCFISYCULS-UHFFFAOYSA-N	204.335	2.820	30	50	BFEA	
C=CCN(C)C(=O)N[C@@H]1CCc2c(C)cccc21	170601818	YTYIDAHVNGIVGB-CQSZACIVSA-N	244.338	2.810	30	50	BFEA	
CCc1noc(C)c1N=C(O)N1CCC12CCC2	328840986	ONMDNUFBHPTMGB-UHFFFAOYSA-N	249.314	2.719	30	50	BFEA	
Cc1cc(CNc2ccc(C#N)nc2)ccc1C#N	1875252398	NKNCKEYYFACYQT-UHFFFAOYSA-N	248.289	2.745	30	50	BFEA	
CN(C)/C=C/C(=O)c1cccc(OC(F)F)c1	2534788	IZYFFZWYQKKIKP-VOTSOKGWSA-N	241.237	2.546	30	50	BFEA	
C=CCc1cc(C(=O)O)ccc1OCCC	71774084	DSLPPKBXYDEUQV-UHFFFAOYSA-N	220.268	2.902	30	50	BFEA	
C=CCN[C@H]1CCCOc2ccc(OC)cc21	130683022	XEIOTUFCTQDZPE-ZDUSSCGKSA-N	233.311	2.685	30	50	BFEA	
N#Cc1cc2cc(Br)ccc2oc1=N	16123495	CLQWATANMIRGHW-UHFFFAOYSA-N	249.067	2.546	30	50	BFEA	
CCc1n[nH]c(SCc2ccccc2C#N)n1	18227591	JGBDSGJRXANRRE-UHFFFAOYSA-N	244.323	2.531	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@]1(CC)C(C)C	211920899	IFIJOZBMWNCGAC-CHWSQXEVSA-N	228.332	2.923	30	50	BFEA	
C=C(C)CN(CC)Cc1ccc([N+](=O)[O-])o1	215969	QFURUOKWFGILLN-UHFFFAOYSA-N	224.260	2.586	30	50	BFEA	
Cc1cccc(Cl)c1NC(=S)C#N	398679	RJMUXFMFTCIFLB-UHFFFAOYSA-N	210.689	2.911	30	50	BFEA	
C=CCn1c(-c2ccsc2)n[nH]c1=S	2491695	VIPYPYUBWHUTJY-UHFFFAOYSA-N	223.326	2.855	30	50	BFEA	
Cc1ccc(C(=O)/C=C/c2cnn(C)c2)cc1	4291285	WWGUUDGKKDWVGO-VMPITWQZSA-N	226.279	2.625	30	50	BFEA	
CC#CCCNC(=O)c1ccc(Cl)cc1F	163339170	VUAPXELNZQVSAV-UHFFFAOYSA-N	239.677	2.622	30	50	BFEA	
CN(C)/C=C/C(=O)c1cc(Cl)ccc1F	1772575807	ATSCJGPRGDEOKG-AATRIKPKSA-N	227.666	2.737	30	50	BFEA	
C=C1N(c2ccc([N+](=O)[O-])cc2)C(=O)OC1(C)C	4529388	ZVQLRYYXADIQNS-UHFFFAOYSA-N	248.238	2.844	30	50	BFEA	
N#Cc1ccncc1OCc1ccccc1	34503099	PNUBCWYZPDVCNL-UHFFFAOYSA-N	210.236	2.532	30	50	BFEA	
NC(=O)C1=C(N=C2CCCCC2)CCCC1	49591248	RKLVRQQRPQCYJR-UHFFFAOYSA-N	220.316	2.705	30	50	BFEA	in-vitro
C=CCC(C)(C)CNC(=O)c1ccn(C(C)C)n1	294114123	FINHDVFYJFOOGR-UHFFFAOYSA-N	249.358	2.796	30	50	BFEA	
C=C[C@@H]1CCN(Cc2cc3c(cc2C)OCO3)C1	820443845	UMHRBRJPOLXJHU-GFCCVEGCSA-N	245.322	2.732	30	50	BFEA	
C[C@H]1CC[C@@H](C)[S@+]1c1cc(O)ccc1O	1857524704	OJTVJPHOXXMYQX-ZZCKJEPUSA-O	225.333	2.646	30	50	BFEA	
CCc1ccc(/C=N/n2c(C)n[nH]c2=S)cc1	5686774	FTKADDCQBSNXQE-MDWZMJQESA-N	246.339	2.694	30	50	BFEA	
Clc1ccc(OCC#CCn2ccnc2)cc1	11535771	SKOSXDOJJNJJFL-UHFFFAOYSA-N	246.697	2.619	30	50	BFEA	
N#CCc1cc(Br)ccc1F	19275005	CVMIQENCTVIYOH-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
N#Cc1cc(OC(F)(F)F)cc(F)c1F	263624313	PFYKQWZHSTYJQR-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
CCc1nc(-c2ccc(C(C)(C)C#N)cc2)n[nH]1	426589754	JWCLIYOQVVPFCP-UHFFFAOYSA-N	240.310	2.835	30	50	BFEA	
C=CCOc1ccc(Cl)cc1C(=O)O	2210732	XAJFEVFAVBYSQP-UHFFFAOYSA-N	212.632	2.603	30	50	BFEA	
N#CCc1ccc2c(c1)C(=O)c1ccccc1C2=O	3884114	PDOFSHJOQBHGMM-UHFFFAOYSA-N	247.253	2.528	30	50	BFEA	
ON=C1[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2	252462556	UEMQBUNIAKDORY-AVGNSLFASA-N	236.359	2.881	30	50	BFEA	
C=C1CC[C@]2([C@](C)(O)C[C@H](O)C=C(C)C)C[C@@H]12	2332925115	IBMZBQSRIYNBIV-BARDWOONSA-N	236.355	2.811	30	50	BFEA	
O=[N+]([O-])c1ccc(/C=[N+](\[O-])c2ccccc2)cc1	57381205	UVECRWKWUJOHSR-UVTDQMKNSA-N	242.234	2.856	30	50	BFEA	
C=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1F	66339566	FHMOJENFEWBNDZ-VIFPVBQESA-N	215.268	2.522	30	50	BFEA	in-vitro
C[C@@H]1CCC[C@](C#N)(NC(=O)[C@@H]2CC=CCC2)C1	229702580	MULZMBFIJFMVMH-NFAWXSAZSA-N	246.354	2.931	30	50	BFEA	
C=CCC[C@H](CC)N[C@H](C)[C@H]1CCCO1	241383262	MTSQDODKZFGCOJ-FRRDWIJNSA-N	211.349	2.888	30	50	BFEA	
CC[C@]1(c2cccc(Cl)c2)O[C@H]1C#N	307540554	WHPRCJPOYOQNLK-WDEREUQCSA-N	207.660	2.868	30	50	BFEA	
CCSCCSCc1ccc(C#N)cn1	408522394	IKGMYRHLGJUJFP-UHFFFAOYSA-N	238.381	2.940	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@]1(C)CCC	211892556	DCUSFYHIRJFPOG-VXGBXAGGSA-N	214.305	2.677	30	50	BFEA	
N#Cc1cccc(NCCCC[C@H]2CCCO2)n1	826791910	JUYHHYNQCXLOFG-ZDUSSCGKSA-N	245.326	2.714	30	50	BFEA	
Cc1cc(C)c(C#N)c(-c2ccc(O)cc2)n1	67967851	WVZCKJJUPJNXJU-UHFFFAOYSA-N	224.263	2.943	30	50	BFEA	
COc1cc(Br)cc(CCC#N)c1	95802910	KEYFINLQPZENLE-UHFFFAOYSA-N	240.100	2.914	30	50	BFEA	
CC1(C)OB(c2ccc(C3CC3)cc2)OC1(C)C	169748364	WYEYFTIWQILPTE-UHFFFAOYSA-N	244.143	2.863	30	50	BFEA	in-vitro
C[C@@]1(c2cccc(C(F)(F)F)c2)O[C@H]1C#N	380519347	WLASYEUJPNECQM-UWVGGRQHSA-N	227.185	2.843	30	50	BFEA	
S=C(N/N=C/c1ccco1)Nc1ccccc1	136238	VEVZWLDVAFRIQA-UKTHLTGXSA-N	245.307	2.600	30	50	BFEA	
COc1cc(OC(F)(F)F)ccc1CC#N	2528354	BVBYGSDSEGLXBW-UHFFFAOYSA-N	231.173	2.660	30	50	BFEA	
CC/N=C(/N)N1CCC(=Cc2ccccc2)CC1	170691964	ZSNFYOBZTXRFAJ-UHFFFAOYSA-N	243.354	2.500	30	50	BFEA	
N#Cc1cccc2c1[C@H]1[C@@H]3[C@@H]2[C@H]2C=C[C@H]2[C@H]31	247661722	SPIAMXPAJFUTRW-XAMXSGMOSA-N	205.260	2.801	30	50	BFEA	
C=CCn1nc(C)c(-c2nc(C(C)C)no2)c1C	200558745	SJLNYUJKVDVVLQ-UHFFFAOYSA-N	246.314	2.859	30	50	BFEA	
C[C@]1(c2ccccc2Br)O[C@H]1C#N	306187921	BHHJTSQEEMFIEA-VHSXEESVSA-N	238.084	2.587	30	50	BFEA	
O=[N+]([O-])c1ccc(/C=N/c2ccccc2)o1	64435	OQWZYCADSKTIOH-XYOKQWHBSA-N	216.196	2.938	30	50	BFEA	
C=CCOc1cccc(C(=O)NC2CCCC2)c1	4843262	IIPXKYOHWFJWDG-UHFFFAOYSA-N	245.322	2.924	30	50	BFEA	
O=C1CC[C@@H]2C1=CCC21SCCCS1	101054665	VLVPXPXJNFKTST-SECBINFHSA-N	226.366	2.862	30	50	BFEA	
C/C(=N\O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	4957380	BSOGYCPJWMOCCD-GQWDJRMPSA-N	241.331	2.841	30	50	BFEA	
C/C(C[C@H](O)c1ccc2ccccc2n1)=N\O	12410403	BRHKOJCUSVQRPC-NCPSJORJSA-N	230.267	2.508	30	50	BFEA	
N#CCCOc1ccccc1Br	19439518	FMKAAGCNRHGGQO-UHFFFAOYSA-N	226.073	2.742	30	50	BFEA	in-vitro
N#Cc1cc(C(F)(F)F)cnc1Cl	62720814	BWFBFKPZLKQYPR-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	in-vitro
CCOc1cc(F)c(F)c(F)c1CC#N	575419785	ZEPHWKOOOZNIFV-UHFFFAOYSA-N	215.174	2.569	30	50	BFEA	
CN(C)/C=C/C=C1/CCc2ccccc2C1=O	2566636	PFXDCKOSCNEUJF-RKLIXYOZSA-N	227.307	2.817	30	50	BFEA	
CCOc1ccccc1/C=N\Nc1nccs1	31854309	WZIJEQCMZSTLST-ZROIWOOFSA-N	247.323	2.988	30	50	BFEA	
CN(c1cnc(C#N)cn1)C1CCCCCCC1	123068767	QKCSMSSWFAROEX-UHFFFAOYSA-N	244.342	2.897	30	50	BFEA	
Cc1cc(C)cc(O[C@H](C)C(=O)/C=C/N(C)C)c1	3134334	GNLHRGBODVPYRY-KTRBRXNASA-N	247.338	2.715	30	50	BFEA	
Cc1ccc(/C(=N/O)c2ccccc2)c(O)c1	5542515	SSIHOUYNCPXGKK-CCEZHUSRSA-N	227.263	2.927	30	50	BFEA	
CCCCNc1ccc([N+](=O)[O-])cc1C#N	8702993	JPXHHGMADNZXBT-UHFFFAOYSA-N	219.244	2.678	30	50	BFEA	
N#C[C@@H]1CC[C@@H](N2CC[C@H](c3ccncc3)C2)C1	571578327	IJRIRIVJFINNFM-VHDGCEQUSA-N	241.338	2.563	30	50	BFEA	
C=CC(=O)OC(F)(C(F)(F)F)C(F)(F)F	2564824	JTCVKNUSIGHJRG-UHFFFAOYSA-N	240.074	2.506	30	50	BFEA	in-vitro
C=CCc1cc(C(=O)NCC(C)C)ccc1OC	12382276	RVOMUIXNYLUSHQ-UHFFFAOYSA-N	247.338	2.810	30	50	BFEA	
[N-]=[N+]=Nc1c(F)c(F)c(C(=O)O)c(F)c1F	14982174	IOJFHZXQSLNAQJ-UHFFFAOYSA-N	235.096	2.883	30	50	BFEA	in-vitro
C=CCCCCCN1CC[S@](=O)CC[C@@H]1C	328587680	FBSSBVXFSQVUCN-XJKSGUPXSA-N	243.416	2.576	30	50	BFEA	
Cc1ccc[n+](/C=C/C(=O)c2ccccc2)c1	4276981	WQACIYVNRIYALB-PKNBQFBNSA-N	224.283	2.636	30	50	BFEA	
O=C[C@H]1CCc2c(ccc3ccccc23)C1=O	100084000	BVSWMUCFLFSYQL-LLVKDONJSA-N	224.259	2.784	30	50	BFEA	
C[C@@]1(c2cccc(Br)c2)O[C@H]1C#N	307338009	UINKQDFFVRQBNY-UWVGGRQHSA-N	238.084	2.587	30	50	BFEA	
Cc1c(-c2ccc(CC#N)s2)cnn1C	592989167	LETNBMFFXXXRDD-UHFFFAOYSA-N	217.297	2.523	30	50	BFEA	
N#Cc1ccc(NCc2cccc(F)c2F)cn1	619735451	ULZLMZCLIBNDNA-UHFFFAOYSA-N	245.232	2.844	30	50	BFEA	
CC(C)c1c(C#N)c(N)nc2ccccc12	952993190	RFIBOHBYQMOIPO-UHFFFAOYSA-N	211.268	2.812	30	50	BFEA	
C[C@@H](OC1=CC(=O)CCC1)C(=O)c1ccccc1	178966	XQVMTCUBXOWIPO-LLVKDONJSA-N	244.290	2.911	30	50	BFEA	
CCCCCCCC[C@H]1CC1(C(=O)O)C(=O)O	2495399	XAKBPRNOVFOBGE-JTQLQIEISA-N	242.315	2.913	30	50	BFEA	
C(=N/N1CCOCC1)\c1ccc2ccccc2c1	5740177	IEHPSYDLXIPJLT-FOWTUZBSSA-N	240.306	2.506	30	50	BFEA	
Cc1cc(F)cc(Br)c1C#N	26893595	JHKAGGIPLGOTCY-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
O=[N+]([O-])c1ccc(/C(=N\O)c2cccs2)cc1	100164199	QLVNSRHSACIMSV-VAWYXSNFSA-N	248.263	2.883	30	50	BFEA	
C[C@]1(c2cccc3ccccc23)O[C@@H]1C#N	309434040	GXVOJQXMUDZHGY-ZIAGYGMSSA-N	209.248	2.977	30	50	BFEA	
c1cc(-c2ccc(OC[C@@H]3CO3)cc2)ccn1	1875389975	BFYWBRABUHDSGF-CQSZACIVSA-N	227.263	2.526	30	50	BFEA	
C#CC1(NC(=O)OC(C)(C)C)CCCCC1	96032192	JQTUMANHLGZZEL-UHFFFAOYSA-N	223.316	2.847	30	50	BFEA	
CC[C@H]1CCN1C/C(O)=N/CCc1ccccc1	328596276	ACWRKTFINGQXJP-AWEZNQCLSA-N	246.354	2.670	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC[C@H]1C(C)(C)C=O	713532656	JBWCFWSOYYBLDT-JTQLQIEISA-N	241.331	2.611	30	50	BFEA	
N#Cc1ccccc1-c1ccccc1C(=O)O	405763	SSRWCQMTMKFPAZ-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	in-vitro
N#CCCc1ccc(Br)cc1	2574311	QAWLKTDBUQOFEF-UHFFFAOYSA-N	210.074	2.905	30	50	BFEA	in-vitro
C=C1N2CCC(CC2)[C@@]1(O)c1ccc(C)c(C)c1	5042623	JCOFODPHNTXYLA-MRXNPFEDSA-N	243.350	2.730	30	50	BFEA	
C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	14619485	ZFHSKBJBODQVBX-AXTRIDKLSA-N	248.322	2.969	30	50	BFEA	biogenic,in-vitro
Cc1ccc(C)c([C@H](O)CN(C)[C@H](C)CC#N)c1	230152675	JBKLWIYZLQHJKG-UKRRQHHQSA-N	246.354	2.571	30	50	BFEA	
Cc1nc2c(Br)cc(C#N)cc2[nH]1	260961335	RCNCHDDFAYNHMF-UHFFFAOYSA-N	236.072	2.506	30	50	BFEA	
C#C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1	226066026	LPRJMEKYEATMBZ-LLVKDONJSA-N	223.316	2.657	30	50	BFEA	
CC(C)[C@@H]1CN(c2cc(C#N)ccn2)CCS1	283961767	YTGTWOGJUFPYON-LBPRGKRZSA-N	247.367	2.531	30	50	BFEA	
CCC[C@]12CCC(=O)C=C1CCCC2=O	208520	FTUKEQBLEYMNMQ-ZDUSSCGKSA-N	206.285	2.815	30	50	BFEA	
N#Cc1nc(-c2ccccc2F)oc1NC1CC1	467589	IIZVASLDFVNLJL-UHFFFAOYSA-N	243.241	2.927	30	50	BFEA	
CC(=O)C1=C(Nc2ccccc2C)CCC1=O	522921	SHMFSIASRQBGNU-UHFFFAOYSA-N	229.279	2.613	30	50	BFEA	
Cc1ccc(C(=O)/C=C/[n+]2cccc(C)c2)cc1	4276982	ASEYJSKTVWZRSK-PKNBQFBNSA-N	238.310	2.945	30	50	BFEA	
N#Cc1cc([N+](=O)[O-])ccc1NCc1ccco1	5688859	GWQOVKBNYCXJHC-UHFFFAOYSA-N	243.222	2.672	30	50	BFEA	
Cc1cc(C#N)c(C)cc1Br	67802819	HZMQTNIFPKVBFC-UHFFFAOYSA-N	210.074	2.938	30	50	BFEA	
CC1(C)OB(c2cc(Cl)cs2)OC1(C)C	169956123	FQPQQVUHQXLKDP-UHFFFAOYSA-N	244.552	2.701	30	50	BFEA	in-vitro
Cc1ccc(-c2cccnc2)cc1OC[C@H]1CO1	1857780658	BKYRGWBNHRYDIZ-CQSZACIVSA-N	241.290	2.835	30	50	BFEA	
N/N=C\c1ccc(-c2cccs2)s1	23115172	CLGZFSDFMZJTJI-WDZFZDKYSA-N	208.311	2.769	30	50	BFEA	
C=C(C)CNC(=O)Nc1ccc(SC)cn1	225422683	GHHPUQHRSLVPHB-UHFFFAOYSA-N	237.328	2.501	30	50	BFEA	
N#CCc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	39170463	BKJDGCNCFIRUNL-UHFFFAOYSA-N	230.145	2.680	30	50	BFEA	
N#Cc1c(F)c(F)cc(Br)c1F	259298240	DLXLZWPGCSVVLE-UHFFFAOYSA-N	235.990	2.738	30	50	BFEA	
Cc1c(C#N)cccc1-c1cc(Cl)nc(N)n1	1776010845	QFPUUJKZXFTSRM-UHFFFAOYSA-N	244.685	2.559	30	50	BFEA	
CC1(C)OB([C@@]23COCCC[C@@H]2C3)OC1(C)C	1875389968	AGOFVDCWQURBOW-MFKMUULPSA-N	238.136	2.649	30	50	BFEA	
N#C[C@@H]1CC[C@H](N[C@@H]2C[C@@H]2Cc2ccccc2)C1	442877896	XRVILPBEZFLBAV-FXUDXRNXSA-N	240.350	2.899	30	50	BFEA	
N#Cc1ccccc1COc1ccc(C=O)cc1	457508	LKQUWXAECCEVJJ-UHFFFAOYSA-N	237.258	2.950	30	50	BFEA	
C[n+]1ccccc1C(=O)/C=C/C=C(Cl)Cl	12341426	HIDLYAXARGCZHP-GQCTYLIASA-N	243.113	2.569	30	50	BFEA	
C[Si](C)(C)C#Cc1cnc2cccnc2c1	169794156	NQZJFDDEKHPDJF-UHFFFAOYSA-N	226.355	2.859	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)Nc1ccc(NCC#N)cc1	585661700	LUKYHZMNQKDZRN-UHFFFAOYSA-N	247.298	2.969	30	50	BFEA	
CO[C@](C#N)(c1ccccc1)C(F)(F)F	56503	UBOJBAYKXZRZHI-SECBINFHSA-N	215.174	2.614	30	50	BFEA	in-vitro
N#CCOc1cc(Cl)ccc1Cl	3165137	KAVDBXFGOAPKHB-UHFFFAOYSA-N	202.040	2.896	30	50	BFEA	in-vitro
C=CCc1cc(C(=O)N[C@H](C)CC)ccc1OC	14398622	MAYRDBXHEHMXKF-LLVKDONJSA-N	247.338	2.952	30	50	BFEA	
C=CCC[C@H](C)NCc1ncc(C)s1	134925398	OIHYXBICZYHJBO-VIFPVBQESA-N	210.346	2.896	30	50	BFEA	
N#CCc1ccc(C(F)(F)F)cc1F	2600096	ZLGSJWMEAQTLFY-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	in-vitro
CC[C@@](C)(S)[P@](=O)(O)c1ccccc1	22203521	FNGIGSPBCHIEAZ-SNVBAGLBSA-N	230.269	2.638	30	50	BFEA	
CC(C)(C)OC(=O)N1CCCC[C@]1(C)C#N	38302356	GFJGITBGEUGJIU-GFCCVEGCSA-N	224.304	2.690	30	50	BFEA	in-vitro
C=CCNc1cc(C)oc(=O)c1C(=O)CCC	100344274	DSLCRQVVTMRXPR-UHFFFAOYSA-N	235.283	2.529	30	50	BFEA	
C[C@@H]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)C1	158415984	BRMBAEWOTOQCEY-MFKMUULPSA-N	243.310	2.868	30	50	BFEA	
C=C[C@@H](C)OC(=O)c1ccc(C(C)=O)cc1	187569740	IOZPTDRROWOYBF-SECBINFHSA-N	218.252	2.621	30	50	BFEA	
CCCCCCCCOC(=O)CC(C)=O	2169595	IKYDDBGYKFPTGF-UHFFFAOYSA-N	214.305	2.869	30	50	BFEA	in-vitro
CC(=O)/C=C(\OB(F)F)c1ccccc1	169805612	CXVNVHYNTQHBER-YFHOEESVSA-N	209.988	2.557	30	50	BFEA	
N#Cc1cc(NCCC[C@@H]2CCCCO2)ccn1	287069663	XRDJTIRAYHCMAG-AWEZNQCLSA-N	245.326	2.714	30	50	BFEA	
Cc1nn(-c2ccccc2)c(Cl)c1C#N	3162993	MWXQWRGAGVHIDR-UHFFFAOYSA-N	217.659	2.706	30	50	BFEA	biogenic,in-vitro
C#CCOc1c(Cl)cc(/C=N/O)cc1Cl	4894626	PXWRQHWSZOBVSM-AWNIVKPZSA-N	244.077	2.814	30	50	BFEA	
N#Cc1cnn2c(/C=C\c3ccccc3)ccnc12	5278505	ZITRGYAJUWLPBM-SREVYHEPSA-N	246.273	2.771	30	50	BFEA	
CC(C)(C)[C@](C)(O)C#C[C@](C)(O)C(C)(C)C	15016833	QDCJURCJXBBNBG-OKILXGFUSA-N	226.360	2.584	30	50	BFEA	
O=C(/C(Cl)=N/O)c1ccc(Cl)cc1	100011547	KPMRXNMLJSQAQE-FLIBITNWSA-N	218.039	2.549	30	50	BFEA	
C[C@H]1C[C@@H](C)C[C@H](CCn2cnc(C#N)n2)C1	246750675	BIVBWJBVWBKXSQ-GDNZZTSVSA-N	232.331	2.612	30	50	BFEA	
N#CCCS(=O)(=O)c1ccc2ccccc2c1	2023285	MMRZNSTXYOLACK-UHFFFAOYSA-N	245.303	2.527	30	50	BFEA	
FC(F)(F)C(F)(F)C(F)(F)C[C@@H]1CO1	2530852	YXNWXQYDINSHJC-GSVOUGTGSA-N	226.091	2.608	30	50	BFEA	
C#CCCC1(CC(=O)Nc2cscc2C)N=N1	2325900057	JLEYVTZXRDNCLH-UHFFFAOYSA-N	247.323	2.961	30	50	BFEA	
Cc1cccc(C)c1O[C@H](C)C(=O)/C=C/N(C)C	1401854	NCTUISPZBHYEMV-WTNCMQEWSA-N	247.338	2.715	30	50	BFEA	
CC1CC(=O)C(=CNc2ccccc2)C(=O)C1	2504463	HBESQPNIFDZRMU-UHFFFAOYSA-N	229.279	2.551	30	50	BFEA	
CCN(CC)/C(S)=N\CCc1ccccc1	13522070	NPVSSMXMOLZTQS-UHFFFAOYSA-N	236.384	2.857	30	50	BFEA	
N#Cc1cccc(NC(=O)N[C@H]2CC[C@@H](F)C2)c1	336353176	RQSDAQWAOKDNKX-PWSUYJOCSA-N	247.273	2.570	30	50	BFEA	
O=[N+]([O-])c1ccc(N/N=C/c2ccco2)cc1	4546557	ROUNDRXXZYHEHX-XYOKQWHBSA-N	231.211	2.634	30	50	BFEA	in-vitro
CCCCCCCCCc1n[nH]c(N)n1	8829889	HPOHZMMRYYDGAM-UHFFFAOYSA-N	210.325	2.680	30	50	BFEA	
C=CCNC(=O)Cc1coc2ccc(CC)cc12	16489678	NYYYJHQCHKEIAL-UHFFFAOYSA-N	243.306	2.840	30	50	BFEA	
O/N=C1C(=N/O)/c2ccccc2-c2ccccc2/1	18210201	CFZZKFOEDDHUAM-WXUKJITCSA-N	238.246	2.724	30	50	BFEA	
C#C[C@H](C)N(C)Cc1ccc(OC)c(SC)c1	252484262	FTEGYSVNDBSUKI-NSHDSACASA-N	249.379	2.871	30	50	BFEA	
C[C@H](C#N)n1cc(-c2ccccc2F)cn1	1875332114	FGVRZUAWRCGHBT-SECBINFHSA-N	215.231	2.774	30	50	BFEA	
C=CCOc1ccc2c(C)cc(=O)oc2c1	1676264	GLCBOQQZRISLFQ-UHFFFAOYSA-N	216.236	2.666	30	50	BFEA	biogenic
C#CCOc1ccc(CNC(C)C)cc1OCC	2863691	XGVLZIJKJIAENK-UHFFFAOYSA-N	247.338	2.595	30	50	BFEA	
N#CCC(=O)c1ccccc1OC(F)(F)F	16159901	OQOKGOUOTDCESI-UHFFFAOYSA-N	229.157	2.682	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1c(N)ccnc1Cl	169794072	XCPLDMMZZOBCFU-UHFFFAOYSA-N	224.767	2.546	30	50	BFEA	
CC(=O)CC(=O)C(C)(C)CC#C[Si](C)(C)C	169828628	MDOYUPFSMIZTPX-UHFFFAOYSA-N	238.403	2.832	30	50	BFEA	
CC#CC(=O)N[C@@H](C)c1cc2cc(F)ccc2o1	408515923	QKXOSVQRKLJRIF-VIFPVBQESA-N	245.253	2.772	30	50	BFEA	
O/N=C(\Cc1ccccn1)c1ccccc1	100712861	WRADUEDMKDJYKA-FYWRMAATSA-N	212.252	2.503	30	50	BFEA	
Cc1nc(C)c(CNCC2(C#N)CCCCC2)o1	600181613	WJJMLPKQGXGTSY-UHFFFAOYSA-N	247.342	2.855	30	50	BFEA	
N#Cc1ccc(Oc2ncnc3c2CCC3)cc1	334167093	AKGJGGVSSZNWJL-UHFFFAOYSA-N	237.262	2.629	30	50	BFEA	
N#Cc1cccc2c1-c1ccccc1C2=O	133553	GYZWHNSTYWQGPP-UHFFFAOYSA-N	205.216	2.770	30	50	BFEA	
CC(C)(C)C1=CC(=O)CN(C(C)(C)C)C1	4343938	BBFSUMGWYSYJOV-UHFFFAOYSA-N	209.333	2.642	30	50	BFEA	
CCCCC#CI	86002946	SACKEEAAIYXWOZ-UHFFFAOYSA-N	208.042	2.573	30	50	BFEA	
C=C(C)CN1CCC(NCCC(C)C)CC1	190746286	XSXJYGWFUNBBEY-UHFFFAOYSA-N	224.392	2.663	30	50	BFEA	
C[C@@H]1CCN(CCC#N)[C@H]2CCCC[C@H]21	242305016	YUBPZRYARLEOFT-AGIUHOORSA-N	206.333	2.801	30	50	BFEA	
CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C=O)CC1	261507936	NYVWCWFKYRHGOP-XYPYZODXSA-N	241.331	2.516	30	50	BFEA	
CC#CC(=O)N[C@H]1CC[C@H](C)c2ccccc2C1	1875369813	JORUTPQFHZWMEL-JSGCOSHPSA-N	241.334	2.635	30	50	BFEA	
COc1cccc(/C=N/c2cc(C)ccn2)c1O	8657063	GBXKQIQIVTZGLB-CXUHLZMHSA-N	242.278	2.855	30	50	BFEA	
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C\CC[C@@]1(C)O[C@H]21	12341708	KTEXNACQROZXEV-ZRPLFPEYSA-N	248.322	2.762	30	50	BFEA	in-vitro
CC1(C)OB(Cc2ccc(F)cc2)OC1(C)C	169747336	RLTRQJNDILQGNA-UHFFFAOYSA-N	236.095	3.000	30	50	BFEA	in-vitro
N#Cc1nccn1CC1CCC(F)(F)CC1	334587643	SRTNBZRSNJYKMJ-UHFFFAOYSA-N	225.242	2.580	30	50	BFEA	
CC[C@@](C)(C#N)C(=O)Nc1cccc(F)c1	136173547	CVGNWPGTAOUOCF-LBPRGKRZSA-N	220.247	2.704	30	50	BFEA	
N#C[C@@H](c1ccc(Cl)nn1)c1ccccc1F	167795	VIUNVHHXBJJUMQ-SECBINFHSA-N	247.660	2.925	30	50	BFEA	in-vitro
C#Cc1cccc(NC(=O)Cc2ccccc2)c1	468642	MBQOANKSCWLSPU-UHFFFAOYSA-N	235.286	2.849	30	50	BFEA	
CC1=C/C(=N\c2ccc(N(C)C)cc2)C=CC1=O	17146928	TVFVEJDBKZLTOQ-SSZFMOIBSA-N	240.306	2.910	30	50	BFEA	
O=CC1CCN(C2CCCCCC2)CC1	128468960	DWABVMILWLARHD-UHFFFAOYSA-N	209.333	2.620	30	50	BFEA	
C=CCN[C@H]1CCCc2nc(CC)sc21	130738648	HYQOLRQZEHUBAJ-VIFPVBQESA-N	222.357	2.859	30	50	BFEA	
CCn1cc(Oc2ccccc2C#N)cn1	228072171	JGTBKWWLDZHMKU-UHFFFAOYSA-N	213.240	2.567	30	50	BFEA	
CCc1cc(CC)c(/C=N/O)c(CC)c1/C=N/O	12413188	YVCZCIUCJDTVGQ-BVXMOGEKSA-N	248.326	2.990	30	50	BFEA	
N#Cc1ccc2[nH]cc([C@H]3CCC(=O)C3)c2c1	142550255	PCCIEBVCPXEIFS-JTQLQIEISA-N	224.263	2.876	30	50	BFEA	
CC[C@@H]1CCc2nc(S)c(C#N)cc2C1	6830069	OQXGYEAPEIPINX-MRVPVSSYSA-N	218.325	2.757	30	50	BFEA	
C=CCN(CC=C)C(=O)c1cc(C)oc1C	16580130	FCVLTRHJSHFPSN-UHFFFAOYSA-N	219.284	2.711	30	50	BFEA	
C=CCNCc1ccc(OC)c(Cl)c1	20927988	UYZAUPPJVIQPJM-UHFFFAOYSA-N	211.692	2.624	30	50	BFEA	
CC1(C)OB(CCc2ccc(N)cc2)OC1(C)C	170003959	CUBZEICPJDEYSH-UHFFFAOYSA-N	247.147	2.904	30	50	BFEA	
N#Cc1cccnc1Nc1ccc(F)cc1	7737567	CQPVCOCTBQRQIG-UHFFFAOYSA-N	213.215	2.836	30	50	BFEA	in-vitro
C[Si](C)(C)C#CC[C@H](O)c1ccccc1	169828399	SFHXIZWDLPPQRU-ZDUSSCGKSA-N	218.372	2.991	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)Nc1cnn(C)c1Cl	585127697	HJHZENCJIQOETO-MRVPVSSYSA-N	241.722	2.614	30	50	BFEA	
CCOc1cccc(/C(N=[N+]=[N-])=N/O)c1	685939447	SIOKYBTXDRASOQ-XFXZXTDPSA-N	206.205	2.531	30	50	BFEA	
OC(C#Cc1ccccc1)(C1CC1)C1CC1	3122462	DJPGPFIOAFRBIK-UHFFFAOYSA-N	212.292	2.589	30	50	BFEA	
O=C(/C=C\c1ccccc1)c1ccc(O)cc1O	13521995	JUMSUVHHUVPSOY-TWGQIWQCSA-N	240.258	2.994	30	50	BFEA	biogenic,in-vitro
COc1ccc(C#Cc2ccccc2C=O)cc1	21988425	RLDUQRLGSISLMK-UHFFFAOYSA-N	236.270	2.908	30	50	BFEA	
CS[C@H](C)Cc1nc2cc(C#N)ccc2[nH]1	67850487	RDQADIGCGQSTHP-MRVPVSSYSA-N	231.324	2.729	30	50	BFEA	
CC(=O)/C=C/[C@@H]1C(C)(C)CC[C@H]2O[C@@]21C	100002843	ODMUHAHUBCUABS-BYNAWZOMSA-N	208.301	2.725	30	50	BFEA	
CC1(C)OB(C#Cc2ccccc2)OC1(C)C	169904239	VEIORNIWTVJLCN-UHFFFAOYSA-N	228.100	2.670	30	50	BFEA	in-vitro
CC#CC(=O)N1CCc2sccc2[C@@H]1CC	277317703	FPNUXCXDBQEGQA-NSHDSACASA-N	233.336	2.607	30	50	BFEA	
c1ccc2nc(C3CC3)c(OC[C@H]3CO3)cc2c1	1875378391	BQXILRKCFDPQDG-GFCCVEGCSA-N	241.290	2.890	30	50	BFEA	
N#Cc1c(N)c2c(c3c1CCCC3)CCCC2	381835	YIAIHKYSUCSBQA-UHFFFAOYSA-N	226.323	2.898	30	50	BFEA	
C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](O)C2)CC1	23281833	WDPXODBODZAIGF-HUUCEWRRSA-N	235.371	2.746	30	50	BFEA	
N#CC(=O)c1cccc(Cl)c1Cl	59867791	FIBBFBXFASKAON-UHFFFAOYSA-N	200.024	2.700	30	50	BFEA	in-vitro
C=C(C)C[C@H](C)C(=O)Nc1ccns1	585128984	SVHKGQPQUNPLRV-QMMMGPOBSA-N	210.302	2.684	30	50	BFEA	
C#CCOc1c(Cl)cc(C=O)cc1OCC	2776350	UCAFDWQGVYKKLD-UHFFFAOYSA-N	238.670	2.563	30	50	BFEA	
C=C(CO[C@@H]1CCCCO1)c1ccccn1	5282982	IJRXTLVXDPEHAA-CYBMUJFWSA-N	219.284	2.638	30	50	BFEA	
N#CCSc1nc2cc(Cl)ccc2[nH]1	17989072	BYHOSYPICBBNNI-UHFFFAOYSA-N	223.688	2.832	30	50	BFEA	
O=CCCCCCNC(=O)OCc1ccccc1	136312499	XPGMGPSEWHRDSL-UHFFFAOYSA-N	249.310	2.672	30	50	BFEA	
C=C(C)[C@@H](NC(=O)C#CC)c1ccc(F)c(F)c1	801199274	LEQDJYJZSDBQMD-CQSZACIVSA-N	249.260	2.722	30	50	BFEA	
O/N=C(/NCc1ccccc1)Nc1ccccc1	4663564	KBWYSSSPIQBLRU-UHFFFAOYSA-N	241.294	2.634	30	50	BFEA	
O=C[C@H](C(=O)Cc1ccccc1)c1ccccc1	35973981	IZFGSRBIUVGIMT-HNNXBMFYSA-N	238.286	2.781	30	50	BFEA	
CCc1ccc(NC(=O)c2ccc(C#N)[nH]2)cc1	131589156	FRHCPCXVFMATTD-UHFFFAOYSA-N	239.278	2.701	30	50	BFEA	
CC1(C)OB(c2cccc(Cl)c2)OC1(C)C	169747925	CHQKHVZXPNHWEA-UHFFFAOYSA-N	238.523	2.639	30	50	BFEA	in-vitro
Cc1[nH]ccc1C(=O)Nc1ccc(CC#N)cc1	175048922	NRMFEXWCHLIQQP-UHFFFAOYSA-N	239.278	2.642	30	50	BFEA	
N#CCOc1ccc(Cl)cc1Cl	1688887	QSDMPLNZSJLFRM-UHFFFAOYSA-N	202.040	2.896	30	50	BFEA	
C[C@@H]1CC(=O)C=C(Nc2ccc(N)cc2)C1	5211714	UTZLKUALGLNGES-VIFPVBQESA-N	216.284	2.564	30	50	BFEA	
COC(=O)[C@]1(C)O[C@@]12C[C@H](C)CC(C)(C)C2	252157891	PKPFVDFQTSVDKN-JIMOISOXSA-N	226.316	2.533	30	50	BFEA	
Oc1ccccc1/C=N/Nc1ccccc1	4159325	SERARPRVBWDEBA-GXDHUFHOSA-N	212.252	2.838	30	50	BFEA	in-vitro
N#Cc1ccc(-c2ccco2)nc1Cl	12357300	HMPRWDLTTCZMAY-UHFFFAOYSA-N	204.616	2.867	30	50	BFEA	
COc1ccc([C@@H](C#N)N2CCCCC2)cc1	49778130	CYRKWIBBOQIQTG-CQSZACIVSA-N	230.311	2.746	30	50	BFEA	in-vitro
CC1(C)OB(C2=C[C@H]3CC[C@@H]2C3)OC1(C)C	170008216	RDRIINBHGGSOPA-VHSXEESVSA-N	220.121	2.974	30	50	BFEA	
N#C[C@@]12CCC[C@@H](CN1Cc1ccccc1)C2	263619708	DMWZPLQGIIQNAN-CABCVRRESA-N	226.323	2.955	30	50	BFEA	
CC[C@]1(c2ccc(Cl)cc2)O[C@H]1C#N	307154642	UZGDHXHZMCFXLH-WDEREUQCSA-N	207.660	2.868	30	50	BFEA	
C=C(C)[C@H](NC(=O)C#CC)c1ccc(F)c(F)c1	801199273	LEQDJYJZSDBQMD-AWEZNQCLSA-N	249.260	2.722	30	50	BFEA	
C#CCN1CCC(N[C@@H](C)C2=CCCCC2)CC1	820365049	BCGMPOJMITWDDU-AWEZNQCLSA-N	246.398	2.563	30	50	BFEA	
N#Cc1cc2c(ccc3ccccc32)oc1=O	241152	DRKGVTRICWHXPE-UHFFFAOYSA-N	221.215	2.818	30	50	BFEA	
C=C/C(C)=C/[C@]1(C)SC(=O)C(C)=C1O	53021620	SYQNUQSGEWNWKV-MLRMMBSGSA-N	210.298	2.983	30	50	BFEA	
CCN(CCC/C(O)=N/C)Cc1cccs1	328595826	FTPXRSNLNSGESV-UHFFFAOYSA-N	240.372	2.937	30	50	BFEA	
N#CCc1cc(F)cc(C(F)(F)F)c1	2600098	HKCQBEWZJZKBQM-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	
N#CCN(Cc1ccco1)c1ccccc1	5331744	LKFPVECRSFDQNO-UHFFFAOYSA-N	212.252	2.810	30	50	BFEA	
C=CCNC(=S)Nc1ccc(Cl)cc1	5426517	CIYHLGZJXIQQNB-UHFFFAOYSA-N	226.732	2.812	30	50	BFEA	
C=CCOc1cccc(NC(=O)C2CC2)c1	12137937	FSJRHVYRTXXXIQ-UHFFFAOYSA-N	217.268	2.600	30	50	BFEA	
Cc1c(C#N)c(-c2cccnc2)c(C)n1C	426386870	IDNGLMLGYOBDPW-UHFFFAOYSA-N	211.268	2.576	30	50	BFEA	
CC1(C)OB([C@H]2[C@@H]3CCC[C@@H]32)OC1(C)C	1772770345	KNOPKUHEOKRHAB-MYJAWHEDSA-N	208.110	2.879	30	50	BFEA	
CCc1nccn1Cc1ccc(F)c(C#N)c1	158636555	SDCJVKOMOPYDBI-UHFFFAOYSA-N	229.258	2.505	30	50	BFEA	
CC1(C)OB(/C=C2/CCCOCC2)OC1(C)C	306873305	XDURUUIIAQVAMD-KHPPLWFESA-N	238.136	2.745	30	50	BFEA	
C#CC1(OC(=O)c2ccc3c(c2)C=CCC3)CC1	2325756337	JQEGUCHJCPSPSZ-UHFFFAOYSA-N	238.286	2.969	30	50	BFEA	
C=CCNc1ncnc2sc(C)c(C)c12	1776839	NVAPMEMEEGIDIU-UHFFFAOYSA-N	219.313	2.906	30	50	BFEA	
N#Cc1cc(-c2cccc(Cl)c2)c[nH]c1=O	8656617	DBJFQRXFABBYJM-UHFFFAOYSA-N	230.654	2.567	30	50	BFEA	
O=C(Oc1ccc(/C=N/O)cc1)c1ccccc1	100468391	OCHGSVJYUVXWDJ-XNTDXEJSSA-N	241.246	2.714	30	50	BFEA	
C=CCN[C@H]1CCCOc2ccc(F)cc21	130649898	BDSXYINDFNPAFD-LBPRGKRZSA-N	221.275	2.815	30	50	BFEA	
N#Cc1sccc1-c1ccc(C(=O)O)cc1	145172486	BYZHJOOBAUYQDO-UHFFFAOYSA-N	229.260	2.985	30	50	BFEA	
Cc1ncsc1-c1ccc(C#N)cc1	166566181	REUDLMVWBUGLDA-UHFFFAOYSA-N	200.266	2.990	30	50	BFEA	in-vitro
N#Cc1ccc(F)c(Br)c1F	71790055	CBSFRWKKLLLLNM-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	
CCOc1ccc(/C=C\C(C)=N\O)cc1	13131024	PQHBUKNDCJQQME-GNPUEAEQSA-N	205.257	2.949	30	50	BFEA	
CN1C=CC=C/C1=C/C=C1C=CC(=O)C=C1	334156989	WLHKMTNVCBYKQU-JYRVWZFOSA-N	211.264	2.507	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)N[C@@](C)(CO)CCCC	585089861	QBPOKPGBTYVZRM-TZMCWYRMSA-N	241.375	2.646	30	50	BFEA	
c1cncc(Oc2ccc(OC[C@H]3CO3)cc2)c1	1857780716	HCEWSQICEVDWBM-AWEZNQCLSA-N	243.262	2.652	30	50	BFEA	
CC(=O)c1ccc(OCC(C)C)c(C#N)c1	138285952	VSNHMDQAWJYXIN-UHFFFAOYSA-N	217.268	2.796	30	50	BFEA	
Cc1ccc(/C=C/C(=O)N[C@@H](C)C#N)cc1Cl	125578578	YAZFDZVMUGOFOK-PORFMDCZSA-N	248.713	2.690	30	50	BFEA	
C(=NOCCc1ccccc1)c1ccncc1	254043327	KSSSPNXPNSIVQI-UHFFFAOYSA-N	226.279	2.675	30	50	BFEA	
C#C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1	306584498	QCBDGAXQZUXRTG-HAQNSBGRSA-N	237.343	2.951	30	50	BFEA	
C#C[C@](C)(CC)NCc1cn(C(C)C)nc1C	585116928	MMXUIZBUQYTBLI-CQSZACIVSA-N	233.359	2.664	30	50	BFEA	
C=C(C)[C@@H]1CC[C@H](C)O[C@@H]1CN1CCCC1	4480296	OESHVYGQGUCFKO-MELADBBJSA-N	223.360	2.842	30	50	BFEA	biogenic
C=C1C(=O)O[C@H]2[C@@H]3O[C@@]3(C)CCC=C(C)CC[C@H]12	253986902	KTEXNACQROZXEV-CXTNEJHOSA-N	248.322	2.762	30	50	BFEA	biogenic,in-vitro
CC[C@@H](C)CO/N=C1/CCCc2n[nH]cc21	1875252986	WVAQRBQDBZSYLZ-MCQFYPOTSA-N	221.304	2.513	30	50	BFEA	
CCSc1nc(C)cc(COC)c1C#N	50632	VVMGMPVFVKKWPE-UHFFFAOYSA-N	222.313	2.520	30	50	BFEA	
C[C@H]1CN(CCc2ccccc2)[C@@H](C)C/C1=N/O	4712815	RSOJDXFITJOAFZ-CRQJOFGKSA-N	246.354	2.790	30	50	BFEA	
O/N=C1/CCc2c1[nH]c1ccc(Cl)cc21	101687932	SEQUKMZNYSQIRO-UVTDQMKNSA-N	220.659	2.946	30	50	BFEA	
Cc1nn(C(C)C)cc1-c1cncc(C#N)c1	1875267557	ZENCTLDQCNAROL-UHFFFAOYSA-N	226.283	2.706	30	50	BFEA	
Cc1ccc([C@@H](O)C#Cc2ccccc2)o1	758965	AKKVSYRJLHURER-ZDUSSCGKSA-N	212.248	2.673	30	50	BFEA	
C#CCn1c(-c2ccco2)nc2ccccc21	1430007	QAXVAAVOCUKPKM-UHFFFAOYSA-N	222.247	2.930	30	50	BFEA	
C/C(=N/O)c1ccc(Br)s1	4828851	GGNDYUAZNCRVDC-YWEYNIOJSA-N	220.091	2.709	30	50	BFEA	
CCC(C#N)(CC)NCc1ccc(OC)cc1	71777686	WCRRPUJRVMBVTH-UHFFFAOYSA-N	232.327	2.867	30	50	BFEA	
N#Cc1ccccc1NC(=O)C1CCCC1	6730751	VJYFHBVACAFNQJ-UHFFFAOYSA-N	214.268	2.687	30	50	BFEA	
C=C1CC2(C1)CN(C(=O)OC(C)(C)C)C2	169804378	CBMMXWAEFJBHDO-UHFFFAOYSA-N	209.289	2.574	30	50	BFEA	in-vitro
CC1(C)CCC[C@H]1NC(=O)c1sccc1C#N	174947939	PNVLDIQWHQBCAZ-SNVBAGLBSA-N	248.351	2.928	30	50	BFEA	
CC1(C)CC(=O)C=C(N2CCCCC2)C1	179503	ZPOZHYJJQWTDJR-UHFFFAOYSA-N	207.317	2.745	30	50	BFEA	
CCNC(=S)N/N=C/C(C)=C\c1ccccc1	6871826	OCBCWEHFFYEJSK-LFHBGGBDSA-N	247.367	2.560	30	50	BFEA	
N#Cc1nc(C(F)(F)F)ccc1Cl	146985063	MZIUVLZTCOQBQX-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	
C=C(C)CN(CC)Cc1cccc(O)c1	279394	LODXMYKKEWMNND-UHFFFAOYSA-N	205.301	2.790	30	50	BFEA	
N#Cc1ccc(Oc2cccc(N)c2)cc1	3163730	VYJJWRGHMIEDQL-UHFFFAOYSA-N	210.236	2.933	30	50	BFEA	in-vitro
N#Cc1ccccc1Oc1nccc(Cl)n1	44713501	IXWFLIZOUFAVES-UHFFFAOYSA-N	231.642	2.794	30	50	BFEA	in-vitro
N#Cc1ccc(Oc2ccc([N+](=O)[O-])nc2)cc1	95829583	XJWARRWRELZZBV-UHFFFAOYSA-N	241.206	2.654	30	50	BFEA	
C=C(B1OC(C)(C)C(C)(C)O1)C(F)(F)F	206187841	XIHQTEZBKPUQTH-UHFFFAOYSA-N	222.015	2.736	30	50	BFEA	in-vitro
CC1(C)OB([C@H]2CC23CCOCC3)OC1(C)C	725268757	UAHHPIOZEURCBR-JTQLQIEISA-N	238.136	2.649	30	50	BFEA	
COc1ccc(C)cc1-c1ccc(C#N)nc1	1239767474	HNIZJICMBBJQJD-UHFFFAOYSA-N	224.263	2.937	30	50	BFEA	
CC(C)(C)OC(=O)NC1CCC(CC#N)CC1	118348044	FIWFOACIVWBZSW-UHFFFAOYSA-N	238.331	2.984	30	50	BFEA	in-vitro
CC1(C)OB(CCCN=[N+]=[N-])OC1(C)C	196881436	WZUBYGPUDKFLGI-UHFFFAOYSA-N	211.074	2.779	30	50	BFEA	
O=C1CCCC/C1=C/Nc1ccc(C(=O)O)cc1	2833205	PWYHWFYLCYYBNO-LUAWRHEFSA-N	245.278	2.824	30	50	BFEA	
CC1CCN(CCOc2ccc(C#N)cc2)CC1	4841330	BMRNQMARNOJXCC-UHFFFAOYSA-N	244.338	2.669	30	50	BFEA	
C[C@H](C#N)[C@H]1CCCN1C(=O)OC(C)(C)C	214621677	RWMFSSOBMVTXJK-NXEZZACHSA-N	224.304	2.546	30	50	BFEA	in-vitro
N#Cc1ccc(CN[C@H]2CC[C@@H](F)C2)cc1	309537140	XIUDIPQEBXUWLF-OLZOCXBDSA-N	218.275	2.538	30	50	BFEA	
CCOc1nc(-c2ccco2)ccc1C#N	1394691	XUODWEJDTCLDPZ-UHFFFAOYSA-N	214.224	2.612	30	50	BFEA	
N#CCC(=O)c1ccccc1Br	2579795	KETIGQNBJUHYCA-UHFFFAOYSA-N	224.057	2.545	30	50	BFEA	in-vitro
CC1(C)OB(Cc2ccccc2F)OC1(C)C	169935460	ABOCFFXSSUAFRP-UHFFFAOYSA-N	236.095	3.000	30	50	BFEA	in-vitro
CC1(C)OB([C@H]2CCCCC(=O)C2)OC1(C)C	196106690	OBKJEEXUXXCBDA-JTQLQIEISA-N	238.136	2.982	30	50	BFEA	
N#Cc1cc([N+](=O)[O-])ccc1Sc1ncco1	236407401	JBPTUADRVVWPRR-UHFFFAOYSA-N	247.235	2.606	30	50	BFEA	
C=CCOc1c(Cl)cc(C=O)cc1OC	2767315	HXTUEFQOQGLKHN-UHFFFAOYSA-N	226.659	2.726	30	50	BFEA	in-vitro
CC(=O)Nc1ccc(-c2ccc(C#N)nc2)cc1	67757141	WVAUDGMUMGIWHL-UHFFFAOYSA-N	237.262	2.579	30	50	BFEA	
C=C1[C@H]2[C@H](O)OC[C@H]3[C@H]2[C@H](C(C)C)CC[C@@]13C	137212516	RVFULFDTCDRKNZ-TVDPOAAXSA-N	236.355	2.826	30	50	BFEA	biogenic
OC1=N[C@@H](/C(O)=N/C2CCC(F)(F)CC2)CC1	328930922	ZIUITOOJQRWECA-MRVPVSSYSA-N	246.257	2.640	30	50	BFEA	
N#CCCN(CCC#N)c1ccc(Cl)cc1	2166009	PWPCWTLPMOTNGY-UHFFFAOYSA-N	233.702	2.974	30	50	BFEA	
N#C[C@H](C1CCCC1)N1CCCCCC1	34924991	MDVRVFBOHNBGHG-CYBMUJFWSA-N	206.333	2.945	30	50	BFEA	in-vitro
CCCCCCCC(=O)N[C@H]1CCCC[C@H]1O	100661812	WYTIAVOLLZDODA-QWHCGFSZSA-N	241.375	2.767	30	50	BFEA	
C[C@@H]1CCCN(c2ccccc2OC[C@@H]2CO2)C1	1857780265	YHYZEYKUYOFQSE-OLZOCXBDSA-N	247.338	2.701	30	50	BFEA	
[O-]/[N+](=C/c1ccc2c(c1)OCO2)c1ccccc1	330041	ZYMPIMWKBKPKIX-OQLLNIDSSA-N	241.246	2.676	30	50	BFEA	
COc1cccc(/C=C/C(=O)C(F)(F)F)c1	12404783	ONWCMCXRYGCTCF-AATRIKPKSA-N	230.185	2.840	30	50	BFEA	in-vitro
Cc1ccc2[nH]c3c(c2c1)CCC/C3=N/O	100144334	KODQVCCADXQRDY-QINSGFPZSA-N	214.268	2.991	30	50	BFEA	
CC(C)(C)OC(=O)/N=C(\C#N)c1ccccc1	140838225	FXMNVYBROILAKU-RVDMUPIBSA-N	230.267	2.934	30	50	BFEA	
CC1(C)OB(CCCCCC(=O)O)OC1(C)C	170007012	NPFUTPQKTRVSCB-UHFFFAOYSA-N	242.124	2.724	30	50	BFEA	
N#CCN[C@@H]1CCC[C@@H]1Cc1ccccc1	170607287	PRORSFFSJNZCGC-ZIAGYGMSSA-N	214.312	2.511	30	50	BFEA	
C[C@]1(c2ccc3ccccc3c2)O[C@H]1C#N	390108156	VDBMCOVPJUBJBO-UONOGXRCSA-N	209.248	2.977	30	50	BFEA	
CC(C)(C)c1ccc(OC[C@H]2CO2)cc1	119549	HHRACYLRBOUBKM-LBPRGKRZSA-N	206.285	2.762	30	50	BFEA	in-vitro
Cc1cc(/N=C/N(C)C)c2ccccc2n1	18030475	JSSMTNFNQJIGJE-NTEUORMPSA-N	213.284	2.765	30	50	BFEA	
CCOC(=O)/C(Cl)=N\Nc1ccc(C)cc1	95696955	IZJHYJDZIJLTOD-GXDHUFHOSA-N	240.690	2.522	30	50	BFEA	
C=C[C@H](C)OC(=O)c1cc(C(C)=O)cs1	187509948	CXAPVCQJCYHXBB-ZETCQYMHSA-N	224.281	2.682	30	50	BFEA	
C=CCNCc1ccccc1C(F)(F)F	2178150	ZOCXYMJIADIHPB-UHFFFAOYSA-N	215.218	2.981	30	50	BFEA	
O=C1CCCC/C1=C/Nc1ccc(O)cc1	12341623	ZTOSJTIBKOCUCF-KTKRTIGZSA-N	217.268	2.831	30	50	BFEA	
O=C1/C(=N/O)[C@@H](c2ccccc2)c2ccccc21	102314741	TXRMUKQKPSRVSL-YZGLPLCXSA-N	237.258	2.845	30	50	BFEA	
C#C[C@@](C)(CC)NC(=O)CCc1ccccc1	100201	ZWUDLAISSVORPP-HNNXBMFYSA-N	229.323	2.537	30	50	BFEA	
O=C(O)c1ccc(NN=C2CCCC2)cc1	144876	PMUDQBPCUNLWAV-UHFFFAOYSA-N	218.256	2.727	30	50	BFEA	
C=CCNC(=O)Nc1cc(C)ccc1C	2172123	FLQMYAWJVSGQAJ-UHFFFAOYSA-N	204.273	2.611	30	50	BFEA	
N#C[C@@H](C1CCCC1)N1CCCCCC1	34924990	MDVRVFBOHNBGHG-ZDUSSCGKSA-N	206.333	2.945	30	50	BFEA	in-vitro
CCOC(=O)C[C@@H](C#N)c1ccc(Cl)cc1	39387391	XEZYVIMQKOFWRH-JTQLQIEISA-N	237.686	2.900	30	50	BFEA	
Cc1noc2c1/C(=N\O)C[C@@H](c1ccccc1)C2	100319754	CSKVXKKYZIJVKB-DHVNXZJSSA-N	242.278	2.891	30	50	BFEA	
CC(C)(C)C(=O)/C=C1\Nc2ccccc2OC1=O	100549804	IBBQAWOGIGVTQC-NTMALXAHSA-N	245.278	2.517	30	50	BFEA	
COc1cccc(CB2OC(C)(C)C(C)(C)O2)c1	169747132	PEWMYAHTUICUAM-UHFFFAOYSA-N	248.131	2.869	30	50	BFEA	in-vitro
CC(=O)/C=C1/Sc2ccccc2N1C	31850096	MMGDXFPDKJNCAM-YRNVUSSQSA-N	205.282	2.659	30	50	BFEA	
CC(=O)/C=C/[C@@H]1C(C)(C)CC[C@H]2O[C@]21C	34586081	ODMUHAHUBCUABS-DKNZFQGMSA-N	208.301	2.725	30	50	BFEA	
C=CCOP(=O)(OCC=C)OCC=C	1661243	XHGIFBQQEGRTPB-UHFFFAOYSA-N	218.189	2.702	30	50	BFEA	in-vitro
CCC[C@@H]1COCCN1Cc1ccccc1C#N	67691535	VIKHBIVZRKMSPJ-OAHLLOKOSA-N	244.338	2.559	30	50	BFEA	
C#Cc1cccc(N[C@@H]2C[C@]3(C)CCO[C@H]23)c1	1875279631	BBAXBYBNRUZIEO-KFWWJZLASA-N	227.307	2.647	30	50	BFEA	
CCC/C=C/c1ccnc(OC)c1C#N	67714774	UQNFLHRTSVXISQ-AATRIKPKSA-N	202.257	2.775	30	50	BFEA	
C=CCC[C@H](CC)N[C@@H]1CCCC[C@H]1O	186803782	WIERRMCYSNNWID-YNEHKIRRSA-N	211.349	2.624	30	50	BFEA	
C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@@H]2CC=CCC2)C1	229702564	MULZMBFIJFMVMH-UMVBOHGHSA-N	246.354	2.931	30	50	BFEA	
CC(C)C[C@@]1(c2ccccc2)O[C@H]1C#N	307229785	ADFVQCWJAYKEKM-STQMWFEESA-N	201.269	2.850	30	50	BFEA	
CC(C)(c1ccccc1)C1(NC(=O)CC#N)CC1	408520759	VPXHFIUAPOGNHZ-UHFFFAOYSA-N	242.322	2.527	30	50	BFEA	
N#C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC3CCC2CC3)C1	1857528079	GGZWKCSHANQQAW-LNNYQDNLSA-N	246.354	2.621	30	50	BFEA	
COc1cc(Cl)c(Cl)cc1C#N	45957418	NXNFRXRUOUCXMF-UHFFFAOYSA-N	202.040	2.874	30	50	BFEA	
CC1(C)OB([C@@H]2CCCCC(=O)C2)OC1(C)C	196106681	OBKJEEXUXXCBDA-SNVBAGLBSA-N	238.136	2.982	30	50	BFEA	
N#Cc1cccc(-c2ccc(CC(=O)O)cc2)c1	5763190	FZCMCBMGTVYSLD-UHFFFAOYSA-N	237.258	2.852	30	50	BFEA	in-vitro
Cc1cccc(-n2nc(C)c(C=NO)c2C)c1	954190429	DSJIQKWVQJXTOF-UHFFFAOYSA-N	229.283	2.606	30	50	BFEA	
C=C(C)C(=O)OCCCCCCSC(C)=O	1501018218	GOBNYDLWWCHEDG-UHFFFAOYSA-N	244.356	2.946	30	50	BFEA	
C[C@H]1CCC[C@@]1(C)CNc1cc[nH]c(=N)c1C#N	2325861377	OHCYXZSNTQJTLL-HZMBPMFUSA-N	244.342	2.604	30	50	BFEA	
N#Cc1ccccc1OCC(=O)c1ccccc1	405399	YZBWYXVYCBQRJR-UHFFFAOYSA-N	237.258	2.820	30	50	BFEA	
CCCCCCCCCC[C@H](N)C(=O)O	1570993	QUBNFZFTFXTLKH-NSHDSACASA-N	215.337	2.929	30	50	BFEA	
CCCCc1ccc(NC(=O)CC#N)cc1	3260332	TXUGXSLBLAYKST-UHFFFAOYSA-N	216.284	2.881	30	50	BFEA	in-vitro
C=CCNC(=O)c1ccc(OCC(C)C)cc1	6697853	LSFFRADMUMGPMQ-UHFFFAOYSA-N	233.311	2.637	30	50	BFEA	
Cc1ccc([C@H](O)c2ccc(C#N)cc2)cc1	85210107	IHCBWUWUQNNJLY-HNNXBMFYSA-N	223.275	2.948	30	50	BFEA	in-vitro
CC(C)(C)[S@](=O)N=C1CCCCC1	166010121	DELUBRHLPUTXTN-CYBMUJFWSA-N	201.335	2.854	30	50	BFEA	
OCc1ccccc1C#Cc1ccccc1	1023925	JLZVTPSCFFBAKH-UHFFFAOYSA-N	208.260	2.579	30	50	BFEA	
CN(C)/C=N/c1cc(N(C)C)nc2ccccc12	4965100	LPTSFECPEOYFKO-XNTDXEJSSA-N	242.326	2.522	30	50	BFEA	
CN(CCCCC#N)Cc1ccccc1	2532333	UAKXCSBKOLSQJP-UHFFFAOYSA-N	202.301	2.812	30	50	BFEA	
O=C(/C=C/c1cccs1)CC(=O)C(F)(F)F	100054909	PTSWPTBHUGSXSK-ONEGZZNKSA-N	248.225	2.852	30	50	BFEA	
C=CCN[C@@H](c1cccc(OC)c1)C1CC1	195572772	HFWAJDWFRMEBSX-CQSZACIVSA-N	217.312	2.922	30	50	BFEA	
C=CCN[C@H](C)c1ccc(C)c(C)c1O	225475729	LTWCWSZPUAQXPF-LLVKDONJSA-N	205.301	2.846	30	50	BFEA	
C=C(C)CN[C@H](c1cccnc1)C1CCOCC1	253432438	KJJHICBJFUPMES-HNNXBMFYSA-N	246.354	2.715	30	50	BFEA	
N#Cc1ccc(NC2CCCCC2)c(N)c1	35674285	OEZUJPYAPODPJG-UHFFFAOYSA-N	215.300	2.885	30	50	BFEA	in-vitro
Cc1cnc([C@H](C)Nc2snc(C)c2C#N)o1	231761027	UTVNNBWXVPTWPC-QMMMGPOBSA-N	248.311	2.793	30	50	BFEA	
CC1=NN([C@@H](C#N)c2cccc(O)c2)C(C)(C)C1	1422392	OQDRHBXXPDTXIU-ZDUSSCGKSA-N	243.310	2.817	30	50	BFEA	
C=CCc1cccnc1NC(=O)C(C)(C)C	2547604	UCOZVKNANWZAOQ-UHFFFAOYSA-N	218.300	2.795	30	50	BFEA	in-vitro
C=C(C)COc1ccccc1NC(=O)CC	9814774	HDZXOOOPKCJHBH-UHFFFAOYSA-N	219.284	2.990	30	50	BFEA	
CC(=O)Nc1cccc(-c2cc(C#N)ccn2)c1	32529796	FHHAEWBYJMURLC-UHFFFAOYSA-N	237.262	2.579	30	50	BFEA	
C=CCN[C@@H]1CCCc2nc(CC)sc21	130738448	HYQOLRQZEHUBAJ-SECBINFHSA-N	222.357	2.859	30	50	BFEA	
C[C@H](CCn1cccn1)Nc1cccc(C#N)c1	137549189	QRMNMTQRMFYNOJ-GFCCVEGCSA-N	240.310	2.645	30	50	BFEA	
COc1cc(C(F)(F)F)c(C#N)c(Cl)n1	953043956	IDJGCHZLHLIILQ-UHFFFAOYSA-N	236.580	2.634	30	50	BFEA	
C=CC(=O)Nc1sc2c(c1C#N)C(C)(C)CC2	1776003250	HMQCRARMVPXJBU-UHFFFAOYSA-N	246.335	2.968	30	50	BFEA	
CCO[P@@](=O)(c1ccccc1)C1(C#N)CC1	444807	JZFGVBDJAWRJQE-INIZCTEOSA-N	235.223	2.683	30	50	BFEA	
CN(C)c1oc(-c2ccccc2Cl)nc1C#N	467727	HFRAYEALNRDZAA-UHFFFAOYSA-N	247.685	2.933	30	50	BFEA	
CCCCCCCCC[C@H]1O[C@@H]1CO	8382265	WFHRKQDHNGOVPA-VXGBXAGGSA-N	200.322	2.887	30	50	BFEA	
C=CC[C@](C)(O)[C@](O)(CC=C)c1ccccc1	43198573	IUCMAUZVAJBOCY-GJZGRUSLSA-N	232.323	2.777	30	50	BFEA	
CC(C)[C@H](C)CN=C1NC[C@@H](c2ccccc2)N1	2325790595	XCHQZPOIIUYSPY-OCCSQVGLSA-N	245.370	2.569	30	50	BFEA	
CC(C)(C)c1ccc(C(=O)/C=C/C(=O)O)cc1	88375	APBQKTQKFFYBES-CMDGGOBGSA-N	232.279	2.808	30	50	BFEA	
C=CCOc1ccc(C=O)cc1CC=C	9260226	UUGSYFSEGOEBDY-UHFFFAOYSA-N	202.253	2.792	30	50	BFEA	in-vitro
C=CCOc1ccc(CNC(C)C)cc1OC	10436047	BXSJVIHFJYFZMX-UHFFFAOYSA-N	235.327	2.758	30	50	BFEA	
CNC(=O)c1cccc(-c2ccccc2C#N)c1	85477045	SGLOTVGJRDAHFM-UHFFFAOYSA-N	236.274	2.585	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1ccnc2[nH]ccc12	169794169	OKPRDNLCWKLXGV-UHFFFAOYSA-N	214.344	2.792	30	50	BFEA	in-vitro
CC(C)C[C@@]1(c2ccccc2)O[C@@H]1C#N	307229776	ADFVQCWJAYKEKM-OLZOCXBDSA-N	201.269	2.850	30	50	BFEA	
C=C[C@H]1CC1(Br)Br	1673437	RTBUVGWEJCPSFF-BYPYZUCNSA-N	225.911	2.678	30	50	BFEA	
N#Cc1cnc2cc(F)ccc2c1Cl	12649539	GLDPOBFSPURDRC-UHFFFAOYSA-N	206.607	2.899	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1c(F)cnc2[nH]ccc12	169794194	CWLBIWBZPQAUCP-UHFFFAOYSA-N	232.334	2.931	30	50	BFEA	in-vitro
C=C(CN1c2ccccc2CC[C@H]1CC)C(=O)O	2325851685	GOCMSTFYFJAZAV-CYBMUJFWSA-N	245.322	2.859	30	50	BFEA	
OC(/C=C/c1ccccc1Cl)=N\c1ncn[nH]1	55686	AHIYYRSSKSVQKB-AATRIKPKSA-N	248.673	2.760	30	50	BFEA	
C=CCNC(=S)Nc1cccc(Cl)c1	5426518	PWMJPURKWVVDJH-UHFFFAOYSA-N	226.732	2.812	30	50	BFEA	
C[C@@H]1C[C@@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1	248768711	PGOBRJSVWLNFAQ-UTLUCORTSA-N	240.262	2.660	30	50	BFEA	
CCCC[C@H](C)C(=O)N(C)c1cc(C#N)ccn1	253395908	VCKCZICHWAGNKY-NSHDSACASA-N	245.326	2.742	30	50	BFEA	
C#CCN(CC#C)C(=O)/C(F)=C/C1CCCCC1	328592890	DRHKVOYNQHXAMS-OWBHPGMISA-N	247.313	2.515	30	50	BFEA	
C=C[C@H]1CCCCN1C(=O)C1CC(F)(F)C1	335388631	NPGRJTRURVHUSA-JTQLQIEISA-N	229.270	2.599	30	50	BFEA	
CO[C@H]1C=CC[C@@H](c2ccccc2)C1(C#N)C#N	333289	SVPZVBGULNAFRK-KBPBESRZSA-N	238.290	2.779	30	50	BFEA	
N#C[C@@H](Sc1cccc(O)c1)C1CC1	585119174	VGYHWLQZVXCJGL-LLVKDONJSA-N	205.282	2.786	30	50	BFEA	
COc1cc([C@@H](C#N)C(C)C)cc(OC)c1OC	389161	BATQRRPXKXQYAX-NSHDSACASA-N	249.310	2.976	30	50	BFEA	
N#Cc1ccccc1-c1ccc(C(=O)O)o1	14988380	YYRBOCOFPPKDFG-UHFFFAOYSA-N	213.192	2.516	30	50	BFEA	
C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	250523940	NWAHZAIDMVNENC-NAWOPXAZSA-N	220.312	2.930	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC[C@@H]1C(C)(C)C=O	713532659	JBWCFWSOYYBLDT-SNVBAGLBSA-N	241.331	2.611	30	50	BFEA	
O/N=C(\C=N\O)CC12CC3CC(CC(C3)C1)C2	4948973	MMRHXOSOHYOIOS-QKXSHZPQSA-N	236.315	2.883	30	50	BFEA	
Cc1ccc(C(=O)C[n+]2ccccc2C)c(C)c1	5681532	YNMPRFHHOUESDN-UHFFFAOYSA-N	240.326	2.782	30	50	BFEA	
N#Cc1c(NC(=O)C2CC2)sc2c1CCCC2	67618	DAYQQRFQUSNVLD-UHFFFAOYSA-N	246.335	2.847	30	50	BFEA	
CC(=O)Nc1ccc(C#N)cc1C(F)(F)F	128849	OBFBGHKUUCGSPC-UHFFFAOYSA-N	228.173	2.535	30	50	BFEA	in-vitro
C/C(=C/C(=O)C(F)(F)F)NCc1ccccc1	4530038	PDVLHTFNCXSUQF-CLFYSBASSA-N	243.228	2.811	30	50	BFEA	
COc1ccccc1Nc1ncccc1C#N	15018927	ZZGTUFJKDJKZST-UHFFFAOYSA-N	225.251	2.705	30	50	BFEA	
COc1ccc([C@@H](O)c2ccc(C#N)cc2)cc1	85210103	QXJLWOYFDAVMLW-HNNXBMFYSA-N	239.274	2.649	30	50	BFEA	
C[C@H](CC#N)Nc1nc2cc(F)ccc2o1	114448949	NVTGRAQVGWDREQ-SSDOTTSWSA-N	219.219	2.681	30	50	BFEA	
N#Cc1ccc(O[C@H]2CCCCO2)cc1F	217431111	VFGXWMIHKUTIGO-LBPRGKRZSA-N	221.231	2.603	30	50	BFEA	
Fc1ccccc1-c1cc(CS)no1	725252630	MRMMJFMOVZSSBR-UHFFFAOYSA-N	209.245	2.911	30	50	BFEA	
N#Cc1ccc(CSc2ncccn2)cc1	53783	QRKRVNMWQKOMQD-UHFFFAOYSA-N	227.292	2.641	30	50	BFEA	
C=CCNc1cc(Cl)ccc1[N+](=O)[O-]	4694060	AEZKAJWHJLCNSO-UHFFFAOYSA-N	212.636	2.846	30	50	BFEA	
C=CCN(C)CCSc1cccc(O)c1	585118947	JRADPPVAWGIEIX-UHFFFAOYSA-N	223.341	2.602	30	50	BFEA	
Cc1nsc(NC[C@@H]2CC23CCC3)c1C#N	2325766181	RRRFNHVKQCGDSC-VIFPVBQESA-N	233.340	2.925	30	50	BFEA	
C=CCNC(=O)[C@@H](C)Sc1ccc(C)cc1	2094095	BHMSFACNXNFPJG-LLVKDONJSA-N	235.352	2.778	30	50	BFEA	
C[C@@H]1CC[C@@H](C)[S+]1c1cc(O)ccc1O	4084820	OJTVJPHOXXMYQX-RKDXNWHRSA-O	225.333	2.646	30	50	BFEA	
C=CCSc1nc(-c2ccccc2OC)n[nH]1	16319342	SDPODEILEXIRQR-UHFFFAOYSA-N	247.323	2.758	30	50	BFEA	
N#Cc1cc(-c2ccc(O)cc2)ccc1O	65341293	HGZAAWVCEKXGEB-UHFFFAOYSA-N	211.220	2.636	30	50	BFEA	in-vitro
N#CCCCNC12CC3CC(CC(C3)C1)C2	20038137	VNUSTWJQTDOORI-UHFFFAOYSA-N	218.344	2.849	30	50	BFEA	
CC(C)Oc1ccc([C@]2(C)O[C@H]2C#N)cc1	309512203	UZYGFDCGAOBDOX-STQMWFEESA-N	217.268	2.611	30	50	BFEA	
N#Cc1nccnc1N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	329637125	VNGGSONHLUZJGQ-QJPTWQEYSA-N	242.326	2.729	30	50	BFEA	
N#CC[C@H]1CN2CC[C@H]1[C@H](c1ccccc1)C2	239403320	RTHQMNDUVQEPLS-ZNMIVQPWSA-N	226.323	2.636	30	50	BFEA	
C[C@]1(c2ccc(Br)cc2)O[C@H]1C#N	306361677	QDEZPKYZQTVANL-VHSXEESVSA-N	238.084	2.587	30	50	BFEA	
N#CCC(=O)c1c[nH]c2cc(Cl)ccc12	26461904	IVZYBUVHLPUYDV-UHFFFAOYSA-N	218.643	2.918	30	50	BFEA	
Cc1nc(-c2ccc(C(C)(C)C#N)cc2)nn1C	426411197	DDUUZPWHSWSPSD-UHFFFAOYSA-N	240.310	2.592	30	50	BFEA	
C=CCOC(F)(C(F)(F)F)C(F)(F)F	2584266	FXUHCQHWDACOKK-UHFFFAOYSA-N	226.091	2.979	30	50	BFEA	in-vitro
COc1ccc(-c2ccc(C#N)o2)c([N+](=O)[O-])c1	4838866	PFXIJSZIRVEWMW-UHFFFAOYSA-N	244.206	2.735	30	50	BFEA	
CN(/C=C/C(=O)C(F)(F)F)Cc1ccccc1	5659561	ILPOYMCOHLEMGO-BQYQJAHWSA-N	243.228	2.764	30	50	BFEA	
COc1c(Cl)cc(C#N)cc1Cl	16447820	NPWCZAJNWKKQOV-UHFFFAOYSA-N	202.040	2.874	30	50	BFEA	in-vitro
Nc1ccccc1/C=N/Nc1ccccc1	17316786	LCPNCBSCOIMOBC-XNTDXEJSSA-N	211.268	2.715	30	50	BFEA	
Cc1cc(-c2ccccc2)c(C#N)c(N)n1	19300133	BMDZIMCUFNDKQQ-UHFFFAOYSA-N	209.252	2.511	30	50	BFEA	
FC(F)(F)O[C@](F)(C[C@H]1CO1)C(F)(F)F	4979060	YLTWQTPPDBTMJI-IUYQGCFVSA-N	242.090	2.540	30	50	BFEA	
Cc1cc(C#N)cc(C)c1Br	12648818	AVXHSMPHQGFXRG-UHFFFAOYSA-N	210.074	2.938	30	50	BFEA	in-vitro
N#CCc1cc(F)cc(Br)c1	16159970	FSKMLBLIAOVQCF-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
C=C(C)C[C@@H](C)C(=O)N(C)c1ccccn1	185399259	AGDOCZDRCXKJCD-LLVKDONJSA-N	218.300	2.647	30	50	BFEA	
O=C(O)c1ccc(/C=N/c2ccccc2O)cc1	226085974	XSYUWHUXGVSAGT-OQLLNIDSSA-N	241.246	2.841	30	50	BFEA	
COc1ccc([C@H](C#N)C(C)C)cc1OC	82538	NFXAXMOAVPLEBH-LLVKDONJSA-N	219.284	2.967	30	50	BFEA	in-vitro
N#Cc1cnc2ccc(F)cc2c1Cl	12649536	OKGBGMNVXKHICZ-UHFFFAOYSA-N	206.607	2.899	30	50	BFEA	in-vitro
N#Cc1ccc(C(=O)N[C@H]2C=CCCC2)c(F)c1	1120621214	RWQYTIYRYORUBB-NSHDSACASA-N	244.269	2.536	30	50	BFEA	
C=CCn1cc(C(=O)O)c2ccccc21	20074517	NBSNSQJYXCXGLK-UHFFFAOYSA-N	201.225	2.526	30	50	BFEA	in-vitro
N#C[C@@H](C(=O)c1ccco1)c1ccccc1	34975510	DIYSVLJRDLRHHY-LLVKDONJSA-N	211.220	2.770	30	50	BFEA	
C=C(C)CN(CC)Cc1cccc([N+](=O)[O-])c1	215835	HHTJZVXIQANGJM-UHFFFAOYSA-N	234.299	2.993	30	50	BFEA	
C=C1C(=O)O[C@@H]2C[C@@H](C)C(/C=C/C(C)=O)=CC[C@@H]12	5763834	RBRPTFMVULVGIC-FLIMZDJFSA-N	246.306	2.586	30	50	BFEA	
O=[N+]([O-])c1ccc2[nH]c3c(c2c1)CCC/C3=N\O	273440	IKCRZOUCQBZIOS-SDNWHVSQSA-N	245.238	2.591	30	50	BFEA	
C[C@H](CC#N)Nc1nc2c(F)cccc2o1	260017481	BZHYYHPQFWVWEP-SSDOTTSWSA-N	219.219	2.681	30	50	BFEA	
CCCCCCCCCC[C@@H](O)CO	1628112	ZITKDVFRMRXIJQ-GFCCVEGCSA-N	202.338	2.870	30	50	BFEA	in-vitro
C=CCNC(=O)Nc1c(C)cccc1CC	2172067	TXYBCNCVTQHEIV-UHFFFAOYSA-N	218.300	2.865	30	50	BFEA	
CC(C)(C)OC(=O)N[C@@H](CC=O)c1ccccc1	34464149	ZGPCDZZHEWGTEU-LBPRGKRZSA-N	249.310	2.841	30	50	BFEA	in-vitro
COc1ccccc1C=Nc1ccccn1	254757967	DYJUEROOFOFUTD-UHFFFAOYSA-N	212.252	2.841	30	50	BFEA	
N#Cc1ncc(-c2ccc(Cl)cc2)nc1C#N	336210	FQDYTKWYQMSDRF-UHFFFAOYSA-N	240.653	2.540	30	50	BFEA	
C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21	12362725	KTEXNACQROZXEV-PWNZVWSESA-N	248.322	2.762	30	50	BFEA	biogenic,world
C=C(CN[C@@H](C)c1cc(C)sc1C)C(=O)O	235527932	RCJYANOVUUPHNV-VIFPVBQESA-N	239.340	2.656	30	50	BFEA	
C=CCNC/C(C)=C/c1ccc(OC)cc1	309906056	KFVZNCRDBPSWGE-ZRDIBKRKSA-N	217.312	2.874	30	50	BFEA	
N#Cc1cc(-c2ccc(Cl)cc2)c[nH]c1=O	169102	ZZPSWSVVNQNXJE-UHFFFAOYSA-N	230.654	2.567	30	50	BFEA	in-vitro
Cc1ccc[n+](CC(=O)c2ccc(Cl)cc2)c1	1665236	UUAGQILVJBDPIQ-UHFFFAOYSA-N	246.717	2.819	30	50	BFEA	
Cc1cc(C(F)(F)Cl)nc(S)c1C#N	2732072	ISRANJNFBBLYSM-UHFFFAOYSA-N	234.658	2.839	30	50	BFEA	
N#CCC(=O)c1ccc(Br)cc1F	11919437	JYQGDFCINOSMOC-UHFFFAOYSA-N	242.047	2.685	30	50	BFEA	in-vitro
C=C(C)C(=O)Nc1ccc(Br)cc1	65337108	SLCQGECCJKYUCZ-UHFFFAOYSA-N	240.100	2.964	30	50	BFEA	in-vitro
CC(C)=C1[C@H]2C=C[C@H]1[C@@]13O[C@@]21[C@H]1C=C[C@H]3C1	104304241	GJWOOIWADZTQAL-LMONPCFVSA-N	212.292	2.852	30	50	BFEA	
Cc1nccc(Oc2ccc(C#N)cc2F)n1	133086556	SRFXKTGKJJZKHV-UHFFFAOYSA-N	229.214	2.588	30	50	BFEA	
CC(C)=C1[C@H]2C=C[C@H]1[C@@]13O[C@]21[C@H]1C=C[C@H]3C1	257356153	GJWOOIWADZTQAL-IDMWBNCISA-N	212.292	2.852	30	50	BFEA	
N#Cc1c2n(c3c(=S)nc[nH]c13)CCCCC2	13111233	UFOBHGWLEPTLSI-UHFFFAOYSA-N	244.323	2.692	30	50	BFEA	
N#CC[C@H]1CN2CC[C@H]1[C@@H](c1ccccc1)C2	239403319	RTHQMNDUVQEPLS-RRFJBIMHSA-N	226.323	2.636	30	50	BFEA	
N#Cc1c(O)ccc(Cl)c1Br	258329704	BDPLXONWTACQMR-UHFFFAOYSA-N	232.464	2.680	30	50	BFEA	
CC(F)(F)c1cccc(NC(=O)CC#N)c1	335856423	VUSTVFHIDNSXDI-UHFFFAOYSA-N	224.210	2.650	30	50	BFEA	
COc1ccc(/C(N)=C\C(=O)C(C)(C)C)cc1	100466257	QTDHDKDEHYFTRI-FMIVXFBMSA-N	233.311	2.610	30	50	BFEA	
C[C@@H](CC#CCN1CCCC1)OC(C)(C)C	5527825	IGLCCGKIDKUMQB-ZDUSSCGKSA-N	223.360	2.679	30	50	BFEA	
CCOC(=O)/C(Cl)=N/Nc1cccc(C)c1	8383124	AQNDVZFJEOKUPX-UVTDQMKNSA-N	240.690	2.522	30	50	BFEA	
COc1ccc(C(F)(F)F)cc1C#N	15442954	KAJZODLWVHKBSI-UHFFFAOYSA-N	201.147	2.586	30	50	BFEA	
CC(=O)/C=C(\OB(F)F)c1ccc(C)cc1	169794533	MAZFSYKQNAXVLW-XFFZJAGNSA-N	224.015	2.865	30	50	BFEA	
C=CCNC(=S)Nc1ccccc1OCC	5499916	FHBRDAGWNMJITB-UHFFFAOYSA-N	236.340	2.558	30	50	BFEA	
C=CCc1cc(C)ccc1OCCNCC	6728687	VYVYWCHUIZZDDD-UHFFFAOYSA-N	219.328	2.712	30	50	BFEA	
N#C[C@@H](Sc1ncccc1F)C1CC1	601083795	NMJZEGUMLNSSNC-SECBINFHSA-N	208.261	2.615	30	50	BFEA	
CCc1c(C)nc(SCC#N)c(C#N)c1C	2072756	QARUXANJTCFBQN-UHFFFAOYSA-N	231.324	2.748	30	50	BFEA	
N#Cc1ccc(CN[C@H]2CC[C@@H](F)C2)s1	308884342	RWVYXJUVEFRUKP-BDAKNGLRSA-N	224.304	2.600	30	50	BFEA	
N#Cc1nc(C2CCC2)oc1NCC1CC1	1857799725	WFPGCGYBITXCJN-UHFFFAOYSA-N	217.272	2.636	30	50	BFEA	
C=CCNC(=O)c1cc(Cl)ccc1Cl	2773548	RBKDOTXTXUYHNT-UHFFFAOYSA-N	230.094	2.909	30	50	BFEA	
N#CCC(=O)Nc1cc(Cl)cc(Cl)c1	167769	JFQBJFTZFREUNU-UHFFFAOYSA-N	229.066	2.846	30	50	BFEA	in-vitro
C#CCSc1ncc(-c2ccccc2)cn1	3133757	RCOXXSJDIHXWCP-UHFFFAOYSA-N	226.304	2.869	30	50	BFEA	
CCc1nnc(S)n1N=C1CCC(C)CC1	5686836	HHVNZFWEBYZGLJ-UHFFFAOYSA-N	238.360	2.543	30	50	BFEA	
O=Cc1cccc(C#Cc2ccccc2)c1	2584211	RRMQKWJANJYKFC-UHFFFAOYSA-N	206.244	2.899	30	50	BFEA	in-vitro
CC(C)n1cccc1C(=O)N[C@H](C#N)C(C)(C)C	120804167	OJAIYIHRMOOOTD-GFCCVEGCSA-N	247.342	2.737	30	50	BFEA	
Cc1ccc(NC(=O)CC#N)cc1Cl	167944	JTBKZCLPLQHRBI-UHFFFAOYSA-N	208.648	2.501	30	50	BFEA	in-vitro
C=CCc1ccc(N2CCCC2)nc1F	39961316	LDXSFCJICZIMFH-UHFFFAOYSA-N	206.264	2.549	30	50	BFEA	
C[C@H](C=O)c1cccc(OC(F)(F)F)c1	238444457	GISZGUTXHMXCHV-SSDOTTSWSA-N	218.174	2.888	30	50	BFEA	
CC1(C)SC[C@@H]1NCc1cccc(C#N)c1	282649383	HQRJLCTXMFYCMV-LBPRGKRZSA-N	232.352	2.542	30	50	BFEA	
Cc1nc(C#N)c(N(C)C2CCCCC2)o1	585152275	JFCPGYWBNUMMRE-UHFFFAOYSA-N	219.288	2.624	30	50	BFEA	
COc1ccc(C(C)C)cc1OC[C@@H]1CO1	1875378390	BNIVUSDKEGTLSR-NSHDSACASA-N	222.284	2.596	30	50	BFEA	
N#Cc1cc(F)ccc1NC[C@H]1CCC=CO1	126322651	YRVWZAFGJCDEMA-GFCCVEGCSA-N	232.258	2.802	30	50	BFEA	
N#CCc1ccc(F)c(F)c1Br	216823850	IVMYDJVGZNHDRZ-UHFFFAOYSA-N	232.027	2.793	30	50	BFEA	
C#CCCCCNC(=O)OCc1ccccc1	224763908	CVYSNJHVKMVWDJ-UHFFFAOYSA-N	231.295	2.716	30	50	BFEA	in-vitro
N#CCOc1cc(Cl)cc(Cl)c1	2510240	PNROREDTZJCOHF-UHFFFAOYSA-N	202.040	2.896	30	50	BFEA	in-vitro
C[C@H]1C[C@H](C#N)CCN1C(=O)OC(C)(C)C	144011904	XXKVWQNGTUSFSH-VHSXEESVSA-N	224.304	2.546	30	50	BFEA	
C[C@@]1(CNc2cc[nH]c(=N)c2C#N)CC=CCC1	2325780709	JPWQUBOBJPDBGU-CQSZACIVSA-N	242.326	2.524	30	50	BFEA	
C=C(CN1c2ccccc2CC[C@@H]1CC)C(=O)O	2325851686	GOCMSTFYFJAZAV-ZDUSSCGKSA-N	245.322	2.859	30	50	BFEA	
C=CS(=O)(=O)CCCCCCCC	1723787	KWFGVRYYABRBHO-UHFFFAOYSA-N	204.335	2.905	30	50	BFEA	
Cc1ccc(/C=C\C(=O)c2ccncc2)o1	4566901	CROXFXREULCLDW-PLNGDYQASA-N	213.236	2.879	30	50	BFEA	
C=CCCCOS(=O)(=O)c1ccc(C)cc1	34624494	UBHNQKMTBYZSMM-UHFFFAOYSA-N	240.324	2.667	30	50	BFEA	
CCCOc1ccc([C@]2(C)O[C@H]2C#N)cc1	309496363	LFHRDBMENIWVFY-STQMWFEESA-N	217.268	2.613	30	50	BFEA	
CC1(C)OB(CC2CCOCC2)OC1(C)C	1857779756	IPGDTKLIAIPNJO-UHFFFAOYSA-N	226.125	2.505	30	50	BFEA	
Cc1cc(C)c(C)c(C(=O)/C=C\C(=O)O)c1C	33365632	ZTKCTDLIYGPZSY-WAYWQWQTSA-N	232.279	2.744	30	50	BFEA	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC#N)C1	141492145	VTQYAEKCJLVFBU-UWVGGRQHSA-N	224.304	2.593	30	50	BFEA	in-vitro
COC1=CC(=O)[C@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@@H]12	216474601	WCQTUYNZJTUGAZ-AWRWRYAPSA-N	218.296	2.708	30	50	BFEA	
O=C1C=C[C@@H]2C[C@]34C=CC[C@@H]3CC[C@@H]4[C@H]12	257356243	GZYCIIFSGMYZDD-JIFFNSBPSA-N	200.281	2.734	30	50	BFEA	
Cc1ccsc1/C=N/c1ccccc1C(N)=O	298189	KWYRFWUDDRHFKB-OVCLIPMQSA-N	244.319	2.906	30	50	BFEA	
N#Cc1cccnc1NCCc1ccccc1	19476373	RKRXVGCIBRUZLF-UHFFFAOYSA-N	223.279	2.608	30	50	BFEA	
CC(C)Oc1ccc([C@]2(C)O[C@@H]2C#N)cc1	309512194	UZYGFDCGAOBDOX-OLZOCXBDSA-N	217.268	2.611	30	50	BFEA	
COc1cc(/C=N/c2ccc(O)cc2)ccc1O	364996	CYURFQSFRRXJCU-OQLLNIDSSA-N	243.262	2.857	30	50	BFEA	
Cc1cc(C)c(N)c(C#Cc2cccc(F)c2)n1	3821213	MEDCLNYIYBERKO-UHFFFAOYSA-N	240.281	2.820	30	50	BFEA	in-man
C=CCn1c([C@@H](O)CC)nc2ccccc21	7548154	PWMAFOVVFYBHQA-LBPRGKRZSA-N	216.284	2.666	30	50	BFEA	
CC(=O)[C@@H](C#N)c1ccc(F)cc1Cl	62610273	OETUACOSRMQVSB-SECBINFHSA-N	211.623	2.675	30	50	BFEA	
C=CCN(CC=C)C(=O)Cc1ccc(F)cc1	304074	OAGMCSCEMFCFAM-UHFFFAOYSA-N	233.286	2.569	30	50	BFEA	
C#Cc1ccc(OC(F)(F)F)c(F)c1	16158426	MTPNHEDDMZRILD-UHFFFAOYSA-N	204.122	2.706	30	50	BFEA	in-vitro
Cc1cc(-c2ccc(F)cc2)c(C#N)c(N)n1	19732270	RAUOAUZFGVFVCW-UHFFFAOYSA-N	227.242	2.650	30	50	BFEA	
C=CCn1c(=O)sc2cccc(Cl)c21	404900	DUMXDUGUJNUUEM-UHFFFAOYSA-N	225.700	2.902	30	50	BFEA	
CC(C)=NOC(=O)Nc1ccccc1C	4583067	VETYJUURPZPYQL-UHFFFAOYSA-N	206.245	2.939	30	50	BFEA	
Cc1ccc(/C=C/C(=O)c2ccncc2)o1	5218471	CROXFXREULCLDW-SNAWJCMRSA-N	213.236	2.879	30	50	BFEA	
NC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)C1	13398266	PDFBDCHLULBNQS-VIFPVBQESA-N	221.687	2.629	30	50	BFEA	
C=CCNc1ccc(C(F)(F)F)cn1	20512848	WOMAHURELXMJMV-UHFFFAOYSA-N	202.179	2.698	30	50	BFEA	
N#Cc1ccc(Cl)c(Br)c1	22007383	GTTSCQCUEKBTNZ-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
N#CCc1c(F)cccc1Br	72284342	QFEXNLSISKHIBO-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
CCC[C@]1(C(=O)OCC)O[C@@]1(C)C(C)C	211997907	LAHJKJARQPXKBG-NWDGAFQWSA-N	214.305	2.533	30	50	BFEA	
C[C@@H]1C[C@H](O)[C@]23O[C@@]12CC(C)(C)C[C@@H]1C[C@]13C	257357263	MXKDLMFRHRQDKD-JMDLWMOSSA-N	236.355	2.741	30	50	BFEA	
C=C(C)CN(CC)C1CCN(CCC)CC1	279659	CSYDINQCPOWTHV-UHFFFAOYSA-N	224.392	2.759	30	50	BFEA	
Cc1cc(CC#N)ccc1Br	85210255	OIBRFAUQTMYQLB-UHFFFAOYSA-N	210.074	2.824	30	50	BFEA	in-vitro
O/N=C/c1ccc(-c2cn3ccccc3n2)cc1	5889797	DFLXZUYAYKBFJX-OQLLNIDSSA-N	237.262	2.809	30	50	BFEA	
Cc1c(Br)ccc(F)c1C#N	95803673	UMWADFWBCUFDLC-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
N#Cc1ccc(Oc2ccc(F)cc2)cn1	129283324	CMNGMROPDCTUTM-UHFFFAOYSA-N	214.199	2.885	30	50	BFEA	
CC1(C)OB(c2cscc2Cl)OC1(C)C	606291374	DCXKJEYKWQUZBI-UHFFFAOYSA-N	244.552	2.701	30	50	BFEA	
CCCC[C@H](C#N)SC[C@H]1CCCO1	1875369132	RZERLCKPMDYVQT-GHMZBOCLSA-N	213.346	2.981	30	50	BFEA	
N#Cc1cc(Br)cn1C(F)F	95496192	MRJMFZOFUDEWBK-UHFFFAOYSA-N	221.004	2.517	30	50	BFEA	in-vitro
Cc1ccc(C#CI)cc1	98044477	IWVHHJABVBKPQY-UHFFFAOYSA-N	242.059	2.739	30	50	BFEA	
CC1=NOC(=O)[C@@H]1/N=N/c1ccc(Cl)cc1	101922245	JKXQWBNZNCSUJT-TWLKNAOBSA-N	237.646	2.725	30	50	BFEA	
C=C(C)CNC(=O)Nc1cc(C(C)(C)C)on1	157304652	CWBLVCGGKXMOFY-UHFFFAOYSA-N	237.303	2.670	30	50	BFEA	
N#CCc1cc(C(F)(F)F)cc(Cl)n1	263623798	KVKCSVSHQONOKM-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
CCOC(=O)CC[C@](C)(C#N)c1ccccc1	1635588	PNOOWJWGNVEQPV-CQSZACIVSA-N	231.295	2.811	30	50	BFEA	
Cc1ccc(N=C(NO)NC2CCCCC2)cc1	3098204	ZSTDXFOGCYECMF-UHFFFAOYSA-N	247.342	2.884	30	50	BFEA	
Cc1cc(C)c(C#N)c(SC(F)F)n1	4042463	UOFFSWICFMCWNR-UHFFFAOYSA-N	214.240	2.885	30	50	BFEA	
CCCc1ccc(C(=O)/C=C/N(C)C)cc1	8873653	PAYSLIIMGZMPOJ-ZHACJKMWSA-N	217.312	2.897	30	50	BFEA	
CC1(C)OB([C@@H]2CCCC(=O)C2)OC1(C)C	169978515	RDLPCDXZYPJXPO-SECBINFHSA-N	224.109	2.592	30	50	BFEA	in-vitro
C=C(C)C[C@@H](C)C(=O)Nc1ccc(CO)cc1	585125887	ICMYMWBGXOLPAI-LLVKDONJSA-N	233.311	2.720	30	50	BFEA	
N#Cc1sc(=S)n(-c2ccccc2)c1N	137196	SSNKVURLRWLXES-UHFFFAOYSA-N	233.321	2.722	30	50	BFEA	in-vitro
CN1C=CC=CC1=CC=C1C=CC=CC1=O	1857624724	CCAGJVMUFYEMIQ-UHFFFAOYSA-N	211.264	2.507	30	50	BFEA	
C[Si](C)(C)C#Cc1cnc(Cl)cc1N	169953829	VZWKKHJDJCQARS-UHFFFAOYSA-N	224.767	2.546	30	50	BFEA	
CCOC(=O)/C(=C/c1c(C)cccc1C)C(C)=O	225501695	FPEBHGKOFMDFIU-NTEUORMPSA-N	246.306	2.839	30	50	BFEA	
N#Cc1ccccc1-c1ccc2c[nH]c(=N)nc2c1	2325854143	PQTUDCLYQRVKDZ-UHFFFAOYSA-N	246.273	2.581	30	50	BFEA	
CC1(C)CC(=O)C=C(NCc2ccco2)C1	4103359	JMZSNZNPGBOPEZ-UHFFFAOYSA-N	219.284	2.642	30	50	BFEA	
CCN(CC)[C@@H](C)C#Cc1ccccc1	5027213	CKZLTELEGHRENY-ZDUSSCGKSA-N	201.313	2.768	30	50	BFEA	
N#Cc1c(Br)cccc1OC(F)F	238528545	HEZIOFLOSYOBPM-UHFFFAOYSA-N	248.026	2.922	30	50	BFEA	
C=C1CCN(C(=O)CC2CC(F)(F)C2)CC1	334666445	PZUROIXCWILKOS-UHFFFAOYSA-N	229.270	2.600	30	50	BFEA	
CC[C@@H](CC#N)NC(=O)C1=C[C@@](C)(CC)C1	1775997373	CTMSCWXRBCHUHV-WCQYABFASA-N	220.316	2.541	30	50	BFEA	
N#Cc1ccc(-c2ccc(=N)[nH]c2)cc1C1CC1	1875341930	OSUMRFGKQFWPNG-UHFFFAOYSA-N	235.290	2.910	30	50	BFEA	
C=CCNC(=O)Nc1ccc(C)c(Cl)c1	2171732	QOKMBMQLKJXHHT-UHFFFAOYSA-N	224.691	2.956	30	50	BFEA	
COc1cccc(/C=C/C(=O)c2ccncc2)c1	4021915	SMEDYRIIZMHYEO-AATRIKPKSA-N	239.274	2.986	30	50	BFEA	
Cc1ncn(Cc2cccc(F)c2C#N)c1C	335744386	UOIOVQUJMFTSRS-UHFFFAOYSA-N	229.258	2.559	30	50	BFEA	
CC1(NCc2cccc(C#N)c2)CC=CC1	585091198	DSQXPZORWIWLTD-UHFFFAOYSA-N	212.296	2.757	30	50	BFEA	
C=CC(=O)Nc1ccc(Cl)c(CC#N)c1	1772718356	OLVSPSPHDGLNTP-UHFFFAOYSA-N	220.659	2.531	30	50	BFEA	
CC1(C)C=CC2=C(O1)C(=O)c1ccccc1C2=O	338411	OWFHAMHRUCUSRM-UHFFFAOYSA-N	240.258	2.685	30	50	BFEA	biogenic,in-vivo
C=C1C(=O)O[C@@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@@H]12	8628489	RBRPTFMVULVGIC-RLFNYLBTSA-N	246.306	2.586	30	50	BFEA	
ClC(Cl)(Cl)[C@@]1(C2CC2)CO1	64038141	CPEPDVGKTJJWIK-YFKPBYRVSA-N	201.480	2.536	30	50	BFEA	
C/C(=N/O)c1ccccc1Br	333806	DPLPRQURUMMJQY-POHAHGRESA-N	214.062	2.647	30	50	BFEA	
O=Cc1ccc(C#Cc2ccccc2)cc1	2159115	SYCFYQFCFHKYPI-UHFFFAOYSA-N	206.244	2.899	30	50	BFEA	in-vitro
Cc1cc(Br)nc(Cl)c1C#N	168843083	JNGGSPALBNEMQL-UHFFFAOYSA-N	231.480	2.678	30	50	BFEA	
C=C(COC(C)C)B1OC(C)(C)C(C)(C)O1	307144922	GHEUSCGAWVFASZ-UHFFFAOYSA-N	226.125	2.599	30	50	BFEA	
C=CCn1c2ccccc2n2cc(C)nc12	305769	DDSJTHCTSXKLQW-UHFFFAOYSA-N	211.268	2.783	30	50	BFEA	
C=CCNC(=O)Nc1ccc2nc(C)sc2c1	2140536	HSHZCFOTJMOBTK-UHFFFAOYSA-N	247.323	2.912	30	50	BFEA	
CC(C)C[C@]1(c2ccccc2)O[C@@H]1C#N	307229772	ADFVQCWJAYKEKM-CHWSQXEVSA-N	201.269	2.850	30	50	BFEA	
C#CCN1CCC(N[C@H](C)C2=CCCCC2)CC1	820365050	BCGMPOJMITWDDU-CQSZACIVSA-N	246.398	2.563	30	50	BFEA	
C=CCNC/C=C/COc1ccccc1OCC	16622566	ZEDDKBAICNABBD-BQYQJAHWSA-N	247.338	2.796	30	50	BFEA	
O=C(C1=COCCC1)C(Cl)(Cl)Cl	32301918	PWNGCQDVIQOYBS-UHFFFAOYSA-N	229.490	2.620	30	50	BFEA	in-vitro
C[C@@H](C#N)SCc1ccc2c(c1)OCO2	336078514	FALJCYJMBICRAB-QMMMGPOBSA-N	221.281	2.561	30	50	BFEA	
N#Cc1ccc(-c2ccccn2)nc1Cl	12357254	FDWQSLAEIHNJEU-UHFFFAOYSA-N	215.643	2.669	30	50	BFEA	
O=CCCc1ccccc1Br	60710424	LZYQKMVDCBFOOX-UHFFFAOYSA-N	213.074	2.581	30	50	BFEA	
CC[C@@H](CC#N)OC(=O)c1ccccc1OC	170605100	ORGKNQUOSAETAO-JTQLQIEISA-N	233.267	2.544	30	50	BFEA	
C=CCOc1ccc(CNc2ncccn2)cc1	195573311	YOMOXEZJAHYPOQ-UHFFFAOYSA-N	241.294	2.654	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)N[C@](C)(CO)CCCC	585089859	QBPOKPGBTYVZRM-JSGCOSHPSA-N	241.375	2.646	30	50	BFEA	
C=CCc1cc2c(C)cc(=O)oc2c(C)c1O	4189792	ZDDBOIKRVOGUCB-UHFFFAOYSA-N	230.263	2.844	30	50	BFEA	biogenic
C=CCn1ccnc1-c1nccn1C(C)C	71757177	SBWBOWZQKQIUEN-UHFFFAOYSA-N	216.288	2.514	30	50	BFEA	
Cc1cccc(C#Cc2ccc3nccnc3c2)n1	204378754	FJXBNXTYPDZJFP-UHFFFAOYSA-N	245.285	2.733	30	50	BFEA	
CCCC(=O)Nc1cccc(C#N)c1C	336504593	GUEIBXAFDLDNQA-UHFFFAOYSA-N	202.257	2.605	30	50	BFEA	
COc1ccc(/N=C2\CCCCCN2)cc1	263453	NMNIQWVCRPQNHM-UHFFFAOYSA-N	218.300	2.889	30	50	BFEA	
c1ccc2c(OC[C@H]3CO3)cccc2c1	1596387	QYYCPWLLBSSFBW-LLVKDONJSA-N	200.237	2.617	30	50	BFEA	in-vitro
C=C1CCC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@@H]12	5373275	FBMORZZOJSDNRQ-GLQYFDAESA-N	248.322	2.705	30	50	BFEA	biogenic,in-vitro
O=C(/C=C/c1ccc(O)cc1)c1cccnc1	7739335	IYPHTBFFSWNNED-VMPITWQZSA-N	225.247	2.683	30	50	BFEA	
N#Cc1ccc2c(c1)nnn2C1CCCCC1	95495623	MJOUMNCIFSQQHC-UHFFFAOYSA-N	226.283	2.808	30	50	BFEA	
CC1=NOC(=O)[C@H]1/N=N/c1ccc(Cl)cc1	101922242	JKXQWBNZNCSUJT-XRNDOFNESA-N	237.646	2.725	30	50	BFEA	
O=C[C@H](c1cccc(F)c1)C(F)(F)F	139742291	XUYZBJGXKSHGAA-MRVPVSSYSA-N	206.138	2.671	30	50	BFEA	in-vitro
C[C@H](/N=C(/O)c1conc1C1CC1)c1ccon1	329547038	DPNPMVKRHZWDNF-ZETCQYMHSA-N	247.254	2.606	30	50	BFEA	
C[C@H]1O[C@H]1COc1cccc(-c2nccs2)c1	1875324820	CDQMDXMFGJYCGN-SKDRFNHKSA-N	247.319	2.976	30	50	BFEA	
CC#CC(=O)NCCCc1c(C)cccc1Cl	1875363244	MPIMURXWMYRRGC-UHFFFAOYSA-N	249.741	2.721	30	50	BFEA	
CCN1C=CC(=C/C=C2/C=CC=CC2=O)C=C1	409415917	VAYUJBYZNHHPGG-ZSOIEALJSA-N	225.291	2.897	30	50	BFEA	
N#Cc1ccc(NCCCC[C@H]2CCCO2)nc1	826785024	BIQYKPSZLFTDPM-ZDUSSCGKSA-N	245.326	2.714	30	50	BFEA	
COc1cccc(OCC(F)(F)F)c1C#N	162071	FGPIHUUPWYOKIW-UHFFFAOYSA-N	231.173	2.508	30	50	BFEA	
C=CCNCCCOc1cccc(Cl)c1	5005468	TZSAQLCBUUFGFF-UHFFFAOYSA-N	225.719	2.885	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC[C@H](CC#N)C1	16697672	RWAQULYYWNUYFH-SNVBAGLBSA-N	224.304	2.547	30	50	BFEA	in-vitro
Cc1cccc(/N=C/c2ccccc2O)n1	17060217	VERGMQGYQKKMCK-NTEUORMPSA-N	212.252	2.846	30	50	BFEA	
Cc1cc(C#N)nc(N2CC(C)(C)[C@H]2C(C)C)n1	292637101	FOVJOOKUFQIEOF-GFCCVEGCSA-N	244.342	2.528	30	50	BFEA	
Cc1cc(Br)c([N+](=O)[O-])cc1C#N	307042520	RPDQZBSUGHHNNJ-UHFFFAOYSA-N	241.044	2.537	30	50	BFEA	
C[C@@H](C#N)CNCC1(c2ccccc2)CCC1	1616034013	GNBGJDPQEYYQDC-ZDUSSCGKSA-N	228.339	2.858	30	50	BFEA	
CCNc1oc(-c2ccccc2C)nc1C#N	1857800879	ZAMTWJFZBQHDCA-UHFFFAOYSA-N	227.267	2.954	30	50	BFEA	
N#Cc1c2ccc(O)cc2n2ccccc12	170277	OPRUTASSYAGEDI-UHFFFAOYSA-N	208.220	2.670	30	50	BFEA	in-vitro
CCCCc1ccc(/C(C)=N/NC(N)=S)cc1	19800154	PANZQRKMALHOBU-XNTDXEJSSA-N	249.383	2.586	30	50	BFEA	
CC1=C(C[S@@](=O)c2ccccc2)CCCC1=O	230508719	UGPXLUORNNNMMA-QGZVFWFLSA-N	248.347	2.864	30	50	BFEA	
CN(C)/C=N/C(=S)Nc1ccc(Cl)cc1	3028737	RHZZAPBYVAKUFY-KPKJPENVSA-N	241.747	2.627	30	50	BFEA	
C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C)C[C@@H](O)[C@@H]12	255258233	PDEJECFRCJOMEN-MGPQQGTHSA-N	248.322	2.522	30	50	BFEA	biogenic,in-vitro
C1CC12CC[C@]13CC[C@@]4(CO4)[C@@]21[C@]1(CC3)CO1	257355904	DKOVEYNPQMTMHN-DGHZRAPYSA-N	232.323	2.659	30	50	BFEA	
C=CCOc1nccc(Cl)c1Cl	261493593	FJJRZVLXRWMXJN-UHFFFAOYSA-N	204.056	2.953	30	50	BFEA	
C=C(CO[C@H]1CCCCO1)c1ccccn1	5282983	IJRXTLVXDPEHAA-ZDUSSCGKSA-N	219.284	2.638	30	50	BFEA	
N#Cc1nc(C(F)(F)F)ccc1OC(F)F	309545236	IQYWNFNZADLPDQ-UHFFFAOYSA-N	238.115	2.573	30	50	BFEA	
N#Cc1cc(F)c(Br)c(F)c1	34365145	LRMUGJVHRUVMHP-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
CC[C@@H]1CCN1C/C(O)=N/CCc1ccccc1	328596277	ACWRKTFINGQXJP-CQSZACIVSA-N	246.354	2.670	30	50	BFEA	
C=CCN(CC=C)C(=O)c1cccc(OC)c1	30014	QTJPBSQBIVTQTC-UHFFFAOYSA-N	231.295	2.509	30	50	BFEA	
Cc1cc(C)n2c3c(c(C#N)c2n1)CCCC3	215672	JYPUZBCTJJJTNJ-UHFFFAOYSA-N	225.295	2.702	30	50	BFEA	
Cc1ccc(O)c(C(=O)/C=C/N2CCCCC2)c1	335196	ASCVHOXXKXSOLV-JXMROGBWSA-N	245.322	2.883	30	50	BFEA	
N#Cc1ccc(-c2ccc(Cl)cc2)[nH]c1=O	4024959	JZMASTOHXMIBJG-UHFFFAOYSA-N	230.654	2.567	30	50	BFEA	in-vitro
FC(F)(F)O[C@@](F)(C[C@H]1CO1)C(F)(F)F	4979056	YLTWQTPPDBTMJI-IMJSIDKUSA-N	242.090	2.540	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@]1(CC)C(C)C	211920824	IFIJOZBMWNCGAC-OLZOCXBDSA-N	228.332	2.923	30	50	BFEA	
C=C[C@@H]1CCCCN1C(=O)CC(F)(F)F	335389402	OHIIPRBBNNETDG-MRVPVSSYSA-N	221.222	2.506	30	50	BFEA	
N#Cc1cccnc1NCCCC[C@H]1CCCO1	826796109	NRHJZSSPNGBXEJ-ZDUSSCGKSA-N	245.326	2.714	30	50	BFEA	
C#CC1(O)CCC(c2ccccc2)CC1	967375	FUFMQDPEADAKMD-UHFFFAOYSA-N	200.281	2.709	30	50	BFEA	
C=CCc1cc(C(=O)NCCC)ccc1OC	14396410	JNQXEGWPOPNANS-UHFFFAOYSA-N	233.311	2.564	30	50	BFEA	
Cc1ccc([N+](=O)[O-])cc1NC1=CC(=O)CCC1	40488496	SGRXVUBUSDQRPA-UHFFFAOYSA-N	246.266	2.952	30	50	BFEA	
NC(=O)CCCCCCCCCCS	44630074	LBHLMQVBCVDGID-UHFFFAOYSA-N	217.378	2.912	30	50	BFEA	
CN(C)/C=C/C(=O)c1ccccc1Cl	54202282	GIXVYAAKABCDLP-BQYQJAHWSA-N	209.676	2.598	30	50	BFEA	
Cc1ccc(-c2ccc(/C(N)=N/O)cc2)cc1	60142381	XSWNAJICRFPFCE-UHFFFAOYSA-N	226.279	2.757	30	50	BFEA	
CCOC(CC[C@@H](C#N)C(C)C)OCC	71773701	FGRWNYIZKFOLSZ-NSHDSACASA-N	213.321	2.961	30	50	BFEA	
N#Cc1cc([N+](=O)[O-])ccc1NC1CCCC1	4905820	HLOOAUXERWJSIU-UHFFFAOYSA-N	231.255	2.821	30	50	BFEA	
CC(C)/N=C(/S)NCc1cccs1	13519204	SMOGCQKQIMSFFU-UHFFFAOYSA-N	214.359	2.532	30	50	BFEA	
COc1ccc(OC)c(-c2cc(C#N)ccn2)c1	20450226	SXZPJEFXNHIBEX-UHFFFAOYSA-N	240.262	2.637	30	50	BFEA	
C=CCCc1nc(C(C)C)nn1-c1ccccn1	65373667	LNDWJSMAYYGFBU-UHFFFAOYSA-N	242.326	2.904	30	50	BFEA	
N#Cc1cc(Br)cc(Cl)c1N	15443809	PRFFLKJJFFIYGK-UHFFFAOYSA-N	231.480	2.556	30	50	BFEA	
Cc1cc(C#N)c(Br)cc1F	16158448	GFLYZSZBOYNJRI-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
C=C(C)C[C@@H](C)C(=O)Nc1ccns1	585128983	SVHKGQPQUNPLRV-MRVPVSSYSA-N	210.302	2.684	30	50	BFEA	
N#Cc1c2n(c3c(Cl)ncnc13)CCCCC2	287074	XYERBYUIQKQOHL-UHFFFAOYSA-N	246.701	2.683	30	50	BFEA	
N#CCCSc1nccn1Cc1ccccc1	2473078	MTGHTAOEVGDYAV-UHFFFAOYSA-N	243.335	2.937	30	50	BFEA	
C#CCOc1nc2c(Cl)cccc2s1	3106403	YNCKHELQYHUVKZ-UHFFFAOYSA-N	223.684	2.962	30	50	BFEA	
C=CCNCCCOc1ccc(CC)cc1	6709536	XQSIFLVCBYTASB-UHFFFAOYSA-N	219.328	2.794	30	50	BFEA	
N#Cc1cc([N+](=O)[O-])ccc1Nc1ccccn1	8703003	CCEDMUKBTAKLPF-UHFFFAOYSA-N	240.222	2.605	30	50	BFEA	
N#Cc1cc(F)c(F)c(Br)c1	71792132	DUXCHSUPTHPKKD-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	
N#CCc1cc(Cl)ncc1C(F)(F)F	238578857	LBWXOKXPMNMEPG-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
CC(C)(CC#N)CSc1cnccn1	578207115	LACDNJCBUKQLAK-UHFFFAOYSA-N	207.302	2.509	30	50	BFEA	
C/C(=N/Cc1cccnc1)c1ccccc1O	12410290	QDFCFXZCZJZGFX-WJDWOHSUSA-N	226.279	2.796	30	50	BFEA	
C=CCNC(=O)CC12CC3CC(CC(C3)C1)C2	16603707	BQXQUTIQJRUIFN-UHFFFAOYSA-N	233.355	2.895	30	50	BFEA	
CCC(=O)[C@H](C#N)c1ccc(Cl)cc1	22054887	NKRGJBDEEGULAN-SNVBAGLBSA-N	207.660	2.926	30	50	BFEA	in-vitro
CSC1(CNc2cccc(C#N)n2)CCC1	227985868	LKJNISJCLFDPSL-UHFFFAOYSA-N	233.340	2.651	30	50	BFEA	
N/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21	4737613	RGVIKWBWYXUHHH-LFIBNONCSA-N	233.702	2.820	30	50	BFEA	
C=CCn1c(C(=O)O)cc2ccccc21	20074707	MTSNBWAZEVRORN-UHFFFAOYSA-N	201.225	2.526	30	50	BFEA	
c1ccc2c(c1)[C@H]1[C@@H]3[C@H]4[C@H]2[C@]25C[C@@H]6O[C@H]6C[C@]12[C@H]5[C@H]34	254301516	QOAVIKPCPRLNQD-UOBBFYAISA-N	248.325	2.921	30	50	BFEA	
CN(C)c1ccc(C#N)c(C(F)(F)F)c1	36805582	HTHPHSCHVAJUNX-UHFFFAOYSA-N	214.190	2.643	30	50	BFEA	
N#Cc1ccc(N)c(Cl)c1C(F)(F)F	307369562	OSCSAJVHHBZVHZ-UHFFFAOYSA-N	220.581	2.813	30	50	BFEA	
N#CCc1cc(C(F)(F)F)ccc1F	2600097	UTHSCSXLGDJQGQ-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	in-vitro
N#Cc1cccnc1-c1ccc([N+](=O)[O-])cc1	74938339	CTNZPLAHZBESNQ-UHFFFAOYSA-N	225.207	2.528	30	50	BFEA	in-vitro
N#Cc1cccc(C(F)(F)C(F)(F)F)n1	169677472	JHTRASHYGAYPTG-UHFFFAOYSA-N	222.116	2.607	30	50	BFEA	
C=C(CO)c1cc2c(cc1O)CCC[C@H]2C	2332922383	YBXGAUIYZOSEBF-SECBINFHSA-N	218.296	2.838	30	50	BFEA	
C=CCNC(=O)Nc1cc(Cl)ccc1OC	6727092	GFCMLYADVJRHHF-UHFFFAOYSA-N	240.690	2.656	30	50	BFEA	
N#Cc1cccc(C#N)c1N1CCCCCC1	8885127	WUYLACNAAVFHDK-UHFFFAOYSA-N	225.295	2.810	30	50	BFEA	
COc1cc(C)c2occ(/C(C)=N\O)c2c1	13111981	PCQLROAYZFXRQJ-JYRVWZFOSA-N	219.240	2.948	30	50	BFEA	biogenic
CC1(C)OB(c2ccccc2Cl)OC1(C)C	169794283	CDVCBWQNFHAZRD-UHFFFAOYSA-N	238.523	2.639	30	50	BFEA	in-vitro
C[C@H](NCC1(C#N)CCC1)c1cc(F)ccc1O	585134888	OCYKQYDRVBCHKN-JTQLQIEISA-N	248.301	2.876	30	50	BFEA	
COc1cccc2cc(C(=O)/C=C/N(C)C)oc12	1392916	TWYDMMXLOHLHIJ-BQYQJAHWSA-N	245.278	2.699	30	50	BFEA	
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@]2(C)O[C@@H]12	104288362	DGWBAYBQBBTILR-LQNCWFGHSA-N	246.306	2.836	30	50	BFEA	
Cc1ccc(F)cc1CNc1ocnc1C#N	334161444	AZYQXUWTLFZEIW-UHFFFAOYSA-N	231.230	2.606	30	50	BFEA	
C/[N+]([O-])=C\c1ccccc1OCc1ccccc1	5638822	BRUDIIMWIFKTOZ-LFIBNONCSA-N	241.290	2.825	30	50	BFEA	
CC(C)(C)C(=O)[C@@H](C#N)c1ccccc1	36930368	CPKKAXQSTQDLEN-NSHDSACASA-N	201.269	2.909	30	50	BFEA	
CC(C)(C)OC(=O)N1CCCC[C@H](C#N)C1	215051223	QGYWDIMUFLWANK-SNVBAGLBSA-N	224.304	2.547	30	50	BFEA	
COc1cc(C)ccc1NC(=O)ON=C(C)C	5682187	SDXPRSAIKIGWTJ-UHFFFAOYSA-N	236.271	2.948	30	50	BFEA	
N=C(O)C1(/N=C(/O)[C@@H]2CC23CCCC3)CC1	330247307	YUDUYVUZECXFCR-QMMMGPOBSA-N	222.288	2.591	30	50	BFEA	
Cc1cccc(N(CCC#N)CCC#N)c1	2163494	KOLCFYBQZNXWET-UHFFFAOYSA-N	213.284	2.629	30	50	BFEA	
C=NOCc1c(F)c(F)c(F)c(F)c1F	2556849	SRTQFRQWTUMMTC-UHFFFAOYSA-N	225.116	2.514	30	50	BFEA	in-vitro
O/N=C(/C=C\c1ccccc1)c1cccnc1	4566688	CIZQSTBHIOIWIU-CXRYTTAVSA-N	224.263	2.973	30	50	BFEA	
O=C(/C=C/c1ccccc1O)c1ccccn1	25664440	JKTCHMQMVYEGAI-CMDGGOBGSA-N	225.247	2.683	30	50	BFEA	
Cc1cc(Br)cc(C#N)c1F	75847047	XPWCPSYTQVBPSU-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
C=CC[S@](=O)C12CC3CC(CC(C3)C1)C2	1875270706	XTDXYLRCSDPNNM-YZXOMZRCSA-N	224.369	2.890	30	50	BFEA	
O=C(/C=C/c1ccc2c(c1)OCO2)c1ccco1	5101419	HBXJOSUNFKXJOK-HWKANZROSA-N	242.230	2.904	30	50	BFEA	
N#Cc1ccc(-n2cc(Br)cn2)cc1	38054245	GNJHOGJNHBJBPP-UHFFFAOYSA-N	248.083	2.506	30	50	BFEA	
C=CCC1(CC=C)CCCN1Cc1ncc[nH]1	65375964	WYQRUTIGWZSXIR-UHFFFAOYSA-N	231.343	2.897	30	50	BFEA	
C[Si](C)(C)C#Cc1ccc(N)c(F)c1F	725325842	BNNQKZPTNYXUTP-UHFFFAOYSA-N	225.314	2.776	30	50	BFEA	
Cc1ccccc1/N=C1\NC[C@@H](C)S1	135003	NMDZRTMSJGRLJV-SECBINFHSA-N	206.314	2.707	30	50	BFEA	
CCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1	169747657	RWANCHDMVNWYHW-UHFFFAOYSA-N	232.132	2.548	30	50	BFEA	
Cc1cnc(SCC#N)c(Br)c1	215963626	OSKDYAWEQSASFK-UHFFFAOYSA-N	243.129	2.768	30	50	BFEA	
CC#CC(=O)N[C@@](C)(CCC)c1ccccc1	889482600	SRAVPYWAZGGHLC-HNNXBMFYSA-N	229.323	2.841	30	50	BFEA	
C#Cc1cccc(NC(=O)c2cccs2)c1	759406	DMJANKBAFHSGNO-UHFFFAOYSA-N	227.288	2.982	30	50	BFEA	
N#Cc1ccc(NCc2cccs2)cn1	131883421	JGBCOCXMXSFDIT-UHFFFAOYSA-N	215.281	2.627	30	50	BFEA	
CC1=CC(=O)C[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12	1077995392	HCWOSGGWMYYACF-DOMZBBRYSA-N	244.290	2.689	30	50	BFEA	biogenic
Cc1ccc([C@H](O)C#Cc2ccccc2)o1	758964	AKKVSYRJLHURER-CYBMUJFWSA-N	212.248	2.673	30	50	BFEA	
C#Cc1cccc(NC(=O)Cc2cccs2)c1	2934913	KFPKILHZEVBKNN-UHFFFAOYSA-N	241.315	2.911	30	50	BFEA	
Nc1ccc(C(=O)/C=C/c2cccc(N)c2)cc1	4772978	XPXLMPYGNCRVKM-RUDMXATFSA-N	238.290	2.747	30	50	BFEA	
N#Cc1cccc(CNC(=O)CC2=CCCC2)c1	1857688618	TUYULLXPNXGEEQ-UHFFFAOYSA-N	240.306	2.675	30	50	BFEA	
CC(C)C[C@](C)(O)C#C[C@@](C)(O)CC(C)C	1687072	LXOFYPKXCSULTL-ZIAGYGMSSA-N	226.360	2.584	30	50	BFEA	biogenic,in-vitro
CCCCc1ccc(NC(=O)CS)cc1	4270540	DFFHQZVAFZNKNH-UHFFFAOYSA-N	223.341	2.898	30	50	BFEA	
CCCCN=Cc1nc2ccccc2n1C	2049269214	RAQZDIVPEIVCQD-UHFFFAOYSA-N	215.300	2.792	30	50	BFEA	
N#CC(C#N)=NNc1cccc(C(F)(F)F)c1	495173	CFVQWSSWYUKQAR-UHFFFAOYSA-N	238.172	2.520	30	50	BFEA	
C=CCOc1ccc(CNC2CC2)cc1	6703403	MNHANZMPBQZNEQ-UHFFFAOYSA-N	203.285	2.503	30	50	BFEA	
N#Cc1ccnc(NCC2CCC(C#N)CC2)c1	286452125	NCDKBDUPKZPCJC-UHFFFAOYSA-N	240.310	2.695	30	50	BFEA	
Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1C	307682936	SODLXKMTJGXEJQ-UHFFFAOYSA-N	238.161	2.664	30	50	BFEA	
C=C(C)CN(C)C(=O)Nc1ccccc1F	334179244	FAOMWSXSMLJVLC-UHFFFAOYSA-N	222.263	2.866	30	50	BFEA	
N#Cc1ccc(C(=O)c2ccccc2)cc1	157115	YSZWJJANSNFQMM-UHFFFAOYSA-N	207.232	2.789	30	50	BFEA	
CCCCCCNc1ccc(C#N)nc1	131878899	MINSDVDCGWHZHB-UHFFFAOYSA-N	203.289	2.945	30	50	BFEA	
Cc1c(/C=C2\Cc3ccccc3C2=O)cnn1C	166637367	GGNKNNBZTFHASP-XYOKQWHBSA-N	238.290	2.551	30	50	BFEA	
COc1cccc(C#C[Si](C)(C)C)c1	170157304	QTRRBVKHHBFICK-UHFFFAOYSA-N	204.345	2.924	30	50	BFEA	
CC1=C(C(O)=Nc2cnns2)CCC1	330265850	ZUVRWLVOCUMNSV-UHFFFAOYSA-N	209.274	2.627	30	50	BFEA	
CC(C)(O)CCCC1=CC[C@H](C=O)CC1	4582588	ORMHZBNNECIKOH-LBPRGKRZSA-N	210.317	2.853	30	50	BFEA	in-vitro
CC1(C)OB(C2=CCSCC2)OC1(C)C	169743432	QZVRTORVCKGPPY-UHFFFAOYSA-N	226.150	2.681	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1cnc2c(c1)CCCO2	169794270	ARFBUIUTXLKOMZ-UHFFFAOYSA-N	231.371	2.636	30	50	BFEA	in-vitro
C#CCC(C)(C)COC(=O)c1ccnc(C)c1	170618549	IPQLOOWAGGMMMC-UHFFFAOYSA-N	231.295	2.596	30	50	BFEA	
N#Cc1ccnc(N2CCC[C@@H]2c2ccco2)c1	328586338	FQTOOWUOQORQAG-GFCCVEGCSA-N	239.278	2.888	30	50	BFEA	
N#CCC(=O)Nc1cc(Cl)ccc1Cl	64954	RXFUXWREALPORB-UHFFFAOYSA-N	229.066	2.846	30	50	BFEA	in-vitro
C[C@@](C#N)(Nc1ccccc1)c1ccncc1	163516	KENMTKQYDZUVPZ-AWEZNQCLSA-N	223.279	2.932	30	50	BFEA	
CC(C)CNC1=CC(=O)C[C@H](c2ccco2)C1	13154068	HQHOUAWSPAQTBF-LLVKDONJSA-N	233.311	2.856	30	50	BFEA	
C=CCCCn1cc([N+](=O)[O-])c(C2CC2)n1	195057115	YADYJYOTPXAORX-UHFFFAOYSA-N	221.260	2.635	30	50	BFEA	
CC[C@@H](C#N)C(=O)Nc1ccc(C(F)F)nc1	1875295779	QDKMRHHDKGMSGI-ZETCQYMHSA-N	239.225	2.507	30	50	BFEA	
N#Cc1n[nH]nc1-c1c(Cl)cccc1Cl	5248636	QXLVUZYDPDPIOA-UHFFFAOYSA-N	239.065	2.650	30	50	BFEA	
COc1ccc(/C(=N/O)c2ccccc2)c(O)c1	16512692	CGMYMXLVMLLWHC-CCEZHUSRSA-N	243.262	2.627	30	50	BFEA	
Fc1ccc(C#CI)cc1	146589793	MAAFUPAVUGONCD-UHFFFAOYSA-N	246.022	2.570	30	50	BFEA	
N#Cc1ccnc(NCCC[C@H]2CCCCO2)c1	287096768	ZARIJPJSVPQCRC-CYBMUJFWSA-N	245.326	2.714	30	50	BFEA	
Cc1c(C#N)c(N)n(-c2ccccc2)c1C	10037791	FGDJNHMAJYGPOM-UHFFFAOYSA-N	211.268	2.548	30	50	BFEA	
N#CCc1ccc(Cl)nc1C(F)(F)F	238581370	WURXKTUSBJIYNT-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
CCCCCCCCCCOS(=O)(=O)O	1847701	CSMFSDCPJHNZRY-UHFFFAOYSA-N	238.349	2.947	30	50	BFEA	biogenic,in-vitro
CC1(C#N)CCN(C(=O)OC(C)(C)C)CC1	67172964	VREJUXWEWOVHHU-UHFFFAOYSA-N	224.304	2.547	30	50	BFEA	in-vitro
C=C(C)C/N=C(\N)Nc1cccc(CC)c1	162454095	LZFZMGQLAMWJAC-UHFFFAOYSA-N	217.316	2.552	30	50	BFEA	
O=C(/C=C\c1ccccc1O)c1ccncc1	4566985	IGTKEFCIWDBWNQ-WAYWQWQTSA-N	225.247	2.683	30	50	BFEA	
O=C(Nc1ccccc1)O/N=C\c1ccncc1	4996784	VWFMCEPLGRYJHQ-GDNBJRDFSA-N	241.250	2.664	30	50	BFEA	
C=CCCc1nc(Cc2ccccc2)n[nH]1	65429037	OVISOIJTUQVXHM-UHFFFAOYSA-N	213.284	2.514	30	50	BFEA	
C=CCN[C@@H]1CCCOc2ccccc21	130685491	FRCUOTKKKYZKKT-GFCCVEGCSA-N	203.285	2.676	30	50	BFEA	
CC1(C)OB(C2=CC[C@H](C#N)CC2)OC1(C)C	169808827	DHWWMTKTHOKXPV-JTQLQIEISA-N	233.120	2.868	30	50	BFEA	in-vitro
CCC[C@]1(C(=O)OCC)O[C@]1(C)CC(C)C	211970320	VGJJOZJIBFDZRP-CHWSQXEVSA-N	228.332	2.923	30	50	BFEA	
C[C@@]1(c2ccc(C(F)(F)F)cc2)O[C@H]1C#N	380467845	CMUYFLRPISUCQZ-UWVGGRQHSA-N	227.185	2.843	30	50	BFEA	
Cc1ccccc1-c1nc(C#N)c(N(C)C)o1	468532	HANBMUFQCNMKIE-UHFFFAOYSA-N	227.267	2.588	30	50	BFEA	
C/C=C/C=C/C(=O)Nc1ccccc1C#N	3086307	DPALBJVGKUGRAR-DSXPNFDZSA-N	212.252	2.629	30	50	BFEA	
COc1ccccc1/C=C\C(=O)c1ccncc1	4566893	PVHPZPKHRNPXOT-SREVYHEPSA-N	239.274	2.986	30	50	BFEA	
CC1CCN(CCOc2ccccc2C#N)CC1	4841423	IQANBCOTFJPHNH-UHFFFAOYSA-N	244.338	2.669	30	50	BFEA	
C=C[C@@H]1CCCCN1C(=O)C1CC(F)(F)C1	335388632	NPGRJTRURVHUSA-SNVBAGLBSA-N	229.270	2.599	30	50	BFEA	
N#CCc1ccc(F)c(C(F)(F)F)c1	2600100	ZWNJWEIQLXEBAM-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	in-vitro
CCCCCCCc1nc2nc(C)cc(O)n2n1	2854323	DNFQLHWAWFIFBB-UHFFFAOYSA-N	248.330	2.651	30	50	BFEA	
O=C1/C(=C/[C@H]2CCCO2)CC/C1=C\[C@H]1CCCO1	4547638	XVSALPHMDLRPHB-SCXCSFDHSA-N	248.322	2.560	30	50	BFEA	
CC(C)CC(=O)Nc1ccc(C#N)cc1	456617	HEJSLYDFUNQTLN-UHFFFAOYSA-N	202.257	2.543	30	50	BFEA	
CO/N=C1/C=C(C#Cc2cccc(C)n2)CCC1	13981546	CNNZLFXCUQLKOB-BMRADRMJSA-N	240.306	2.854	30	50	BFEA	in-vitro
C=C1CCN(C(=O)OC(C)(C)C)CC1(F)F	96028463	CBJFGYFUQNWSKI-UHFFFAOYSA-N	233.258	2.819	30	50	BFEA	
ClC(Cl)(Cl)C=Nc1ncccn1	254577286	AWDYVYGWIXPIDG-UHFFFAOYSA-N	224.478	2.549	30	50	BFEA	
N#Cc1ccc(CN[C@@H]2CC[C@@H](F)C2)cc1	309537139	XIUDIPQEBXUWLF-CHWSQXEVSA-N	218.275	2.538	30	50	BFEA	
C=CC1CC(NC(=O)Nc2cccc(C#N)c2)C1	1875315736	GAESCDFTGXXQGA-UHFFFAOYSA-N	241.294	2.644	30	50	BFEA	
CC1(C)CO/C(=N\c2ccc(Cl)cc2)N1	208945	TXDBBIPKMAHBOG-UHFFFAOYSA-N	224.691	2.726	30	50	BFEA	aggregator
CC[C@H](C)COS(=O)(=O)c1ccc(C)cc1	1725019	HPEVJTNZYIMANV-JTQLQIEISA-N	242.340	2.746	30	50	BFEA	
N#CCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	2507896	CSRSFUABKGQLSY-UHFFFAOYSA-N	230.145	2.680	30	50	BFEA	
FCC(F)(F)C(F)(F)C(F)(F)F	2560331	XALFNZSGFNPWSM-UHFFFAOYSA-N	202.044	2.789	30	50	BFEA	in-vitro
C/C=C/C=N/N(Cc1ccccc1)C(=S)NC	670418709	OJHPXSZGDJTLLO-LRHFEQMYSA-N	247.367	2.555	30	50	BFEA	
C=C[C@@H]1CCN(c2cc(C(C)C)ncn2)C1	1772711867	XSBZOIPAMRINRI-LLVKDONJSA-N	217.316	2.612	30	50	BFEA	
CCc1cccc(CC)c1NC(=O)CS	111823	GKLDCFCDPFFOSW-UHFFFAOYSA-N	223.341	2.680	30	50	BFEA	
CCO[C@@H]1CC2(CCCCC2)C1(C#N)C#N	333288	DPDIZGBWXYCZCB-LLVKDONJSA-N	218.300	2.779	30	50	BFEA	
O=C(/C=C/c1cccc(O)c1)c1cccnc1	5864856	YWQFCRRNTSUDQK-VOTSOKGWSA-N	225.247	2.683	30	50	BFEA	
CCC[C@@]1(C)CCCN(c2cnc(C#N)cn2)C1	126004315	IIMXWHXJEPSDRF-AWEZNQCLSA-N	244.342	2.755	30	50	BFEA	
O=C(/C=C/Nc1cccc(O)c1)c1ccco1	472364	QVULLCKRVVORKR-VOTSOKGWSA-N	229.235	2.794	30	50	BFEA	
CC(=O)/C=C(/C)N[C@H](C)c1ccccc1	4086139	IPLGCPNCNNFYEO-ZWLSGLHFSA-N	203.285	2.830	30	50	BFEA	
CC[C@@H]1CS/C(=N\c2ccccc2)N1	12417639	LOPXTRMPYUWBFN-SECBINFHSA-N	206.314	2.789	30	50	BFEA	in-vitro
C=CCNC1=C(C(=O)CCC)C(=O)CC(C)(C)C1	100319155	IVMWBYSFDFSMIA-UHFFFAOYSA-N	249.354	2.774	30	50	BFEA	
C[C@@H]1C[C@H](O)[C@]23O[C@@]12CC(C)(C)C[C@H]1C[C@]13C	101140793	MXKDLMFRHRQDKD-OANMQIDQSA-N	236.355	2.741	30	50	BFEA	
Cc1nc(C#N)c(NCCc2ccc(F)cc2)o1	227155080	ALHQRYFCBHYIQC-UHFFFAOYSA-N	245.257	2.648	30	50	BFEA	
Cc1cc[nH]c1C(=O)Nc1ccc(CC#N)cc1	336151964	JBCLYAQXACPGLK-UHFFFAOYSA-N	239.278	2.642	30	50	BFEA	
N#Cc1ccc(Br)c2ccncc12	694822158	MCMRZURYUKOFPE-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
CC#CCN[C@@H](C)c1cccc(-n2ccnc2)c1	189892511	LQBRQNITEZRPMB-ZDUSSCGKSA-N	239.322	2.546	30	50	BFEA	
COc1cccc(C(=O)/C=C(/O)C(F)(F)F)c1	100244391	YBNNPZXUQRORMU-UXBLZVDNSA-N	246.184	2.882	30	50	BFEA	
N#Cc1ccc(C(F)(F)F)cc1S	238569991	NWVQXMARHDUUPL-UHFFFAOYSA-N	203.188	2.866	30	50	BFEA	
N#Cc1cccc(CN2CC(C(F)(F)F)C2)c1	335806205	JGRIHVJLOKHTNN-UHFFFAOYSA-N	240.228	2.552	30	50	BFEA	
CC[C@H]1CCc2c(sc(N)c2C#N)C1	35875	UJSSIVVJQQNBCO-ZETCQYMHSA-N	206.314	2.717	30	50	BFEA	in-vitro
O=Cc1ccc(/C=C/C(=O)c2ccccc2)o1	3884353	WUJBMWMNRLSJID-CMDGGOBGSA-N	226.231	2.988	30	50	BFEA	
N#CCOc1ccc2c(C#N)c3ccccn3c2c1	4053743	SNXXXGOMGWMEGX-UHFFFAOYSA-N	247.257	2.867	30	50	BFEA	
O/N=C(/Cl)c1c(F)cccc1Cl	33986250	XQUJVGVNTYDLIG-YRNVUSSQSA-N	208.019	2.854	30	50	BFEA	
C=CCCCN(C)C(=O)c1c(O)cccc1F	125473981	CXZNUMBYOLQQKP-UHFFFAOYSA-N	237.274	2.570	30	50	BFEA	
CCCc1ccc([C@]2(C)O[C@@H]2C#N)cc1	306524134	XGQQHRHUJQTYIR-OLZOCXBDSA-N	201.269	2.777	30	50	BFEA	
CCCOc1ccc([C@]2(C)O[C@@H]2C#N)cc1	309496346	LFHRDBMENIWVFY-OLZOCXBDSA-N	217.268	2.613	30	50	BFEA	
C=CCc1ccccc1OCCCN(C)C	2824892	AXZVDJSRGLKAGU-UHFFFAOYSA-N	219.328	2.746	30	50	BFEA	
C=CCN(CC=C)CCOc1ccccc1	20118307	LXIXCOUUFXHLKZ-UHFFFAOYSA-N	217.312	2.739	30	50	BFEA	
CCO[C@@H]1C[C@@H](N[C@@H](CC)CC#N)C12CCC2	227117122	SAIPQXUFAYWMCZ-YNEHKIRRSA-N	236.359	2.616	30	50	BFEA	
CN(c1ncc(C#N)c2ccsc12)C1CC1	601104412	WFSXGUKKQAFLND-UHFFFAOYSA-N	229.308	2.767	30	50	BFEA	
C=CC(=O)N[C@H](c1ccc(F)c(C#N)c1)C(C)C	1875376362	ULEZZZTVBBYDFG-AWEZNQCLSA-N	246.285	2.697	30	50	BFEA	
C=CCNC(=O)Nc1ccc(C)c(C)c1	2172006	HAVLYGJYPKLQHV-UHFFFAOYSA-N	204.273	2.611	30	50	BFEA	
COc1ccc(-c2cc(C#N)ccn2)cc1	3883861	QMGLKQCZSCZZPP-UHFFFAOYSA-N	210.236	2.629	30	50	BFEA	
N#CC[C@]12CC=CC[C@@]1(C(=O)O)CCCC2	71785949	WWXBNKRLLMNDHJ-OLZOCXBDSA-N	219.284	2.881	30	50	BFEA	
Cc1nc2ccccc2cc1OC[C@H]1O[C@@H]1C	1875325042	GQSAZKVSZNRXCV-QMTHXVAHSA-N	229.279	2.709	30	50	BFEA	
FC(F)(F)C(F)(F)C(F)(F)C[C@H]1CO1	4269686	YXNWXQYDINSHJC-VKHMYHEASA-N	226.091	2.608	30	50	BFEA	
C[C@H]1CN(CCc2ccccc2)[C@H](C)C/C1=N/O	4712814	RSOJDXFITJOAFZ-UBQVSUSGSA-N	246.354	2.790	30	50	BFEA	
N#Cc1cccnc1N1CCc2ccccc2C1	19486779	QTPARYQPKQDVAT-UHFFFAOYSA-N	235.290	2.516	30	50	BFEA	
C=CCB1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1	170161479	ZWEMLWHNKCNXMY-KQXIARHKSA-N	220.121	2.901	30	50	BFEA	
C=CCn1c(-c2ccccc2F)n[nH]c1=S	2840476	NJNBIKPYOFXWET-UHFFFAOYSA-N	235.287	2.933	30	50	BFEA	
Cc1ccc(C(=O)/C=C/N(C)C)cc1C	47959439	SLLJLNGZUQJZCR-BQYQJAHWSA-N	203.285	2.561	30	50	BFEA	
COc1cccc(/C=N/c2ccccn2)c1O	101667935	BZMGIOMYUYNGED-OQLLNIDSSA-N	228.251	2.546	30	50	BFEA	
CCN(CC)C(=O)/C(=C/c1ccccc1)C(C)=O	462943	VNIBVBFPSPMYCH-SDNWHVSQSA-N	245.322	2.527	30	50	BFEA	
CCCCCOc1ccc(C#N)c(C#N)c1	2522746	LEYRHJFOAFEIDH-UHFFFAOYSA-N	214.268	2.999	30	50	BFEA	in-vitro
O=C(/C=C/c1cccc(O)c1)c1ccncc1	5249110	GCMCCZGESDGTJF-SNAWJCMRSA-N	225.247	2.683	30	50	BFEA	
O=CC1CCC(OCc2ccccc2)CC1	114974972	QRULNFQXSNRBTQ-UHFFFAOYSA-N	218.296	2.961	30	50	BFEA	
C=Cc1c(C#N)cnc2ccc(OC)cc12	149748349	NWMXWYGJPOKJKV-UHFFFAOYSA-N	210.236	2.758	30	50	BFEA	
Cc1nn(C(C)C)cc1-c1cncc(CC#N)c1	1875283345	OLAVHPQGRJFATD-UHFFFAOYSA-N	240.310	2.901	30	50	BFEA	
O=C(/C=C/c1cccs1)C(F)(F)F	12404788	PLFWJGKAWSDIQO-ONEGZZNKSA-N	206.188	2.893	30	50	BFEA	in-vitro
C[C@@]1(c2ccc(F)c(Cl)c2)O[C@@H]1C#N	306383828	AMTHMHLAVYJZRH-ZJUUUORDSA-N	211.623	2.617	30	50	BFEA	
CN/C(S)=N\N=C\c1ccc(C(C)C)cc1	4043263	FBELSXQLSAVMRE-RIYZIHGNSA-N	235.356	2.649	30	50	BFEA	
CC(C)(C#N)CCCn1cnc(C(C)(C)C)n1	310258557	HDRWICAMWKOGDQ-UHFFFAOYSA-N	234.347	2.906	30	50	BFEA	
N#Cc1ccc(Cl)cc1Br	39937514	PEAQTMSQUXACRN-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
OC1(C#CCN2CCCCCC2)CCCCC1	185616	KIZAODKUFDDCRP-UHFFFAOYSA-N	235.371	2.561	30	50	BFEA	
CCCCCCCCCC[C@H](O)C(=O)O	2043222	YDZIJQXINJLRLL-NSHDSACASA-N	216.321	2.963	30	50	BFEA	biogenic,in-vitro
C[C@H]1C[C@H](C)CCN1c1ccc(C#N)nc1	222088184	JHZRTMARNAEOGP-MNOVXSKESA-N	215.300	2.578	30	50	BFEA	
C=CCNC(=O)c1c(C)cc(Cl)nc1Cl	2192343	JSLAFYWICAEELE-UHFFFAOYSA-N	245.109	2.613	30	50	BFEA	
CC(=O)c1ccccc1-c1ncccc1C#N	32598260	KRTKWCPDFICDIN-UHFFFAOYSA-N	222.247	2.823	30	50	BFEA	
COc1ccc(C(=O)C=C(C)C)c(OC)c1	101369782	CQDSIKOYHNQIEM-UHFFFAOYSA-N	220.268	2.853	30	50	BFEA	
C(=NOCCc1ccccc1)c1ccccn1	254045439	KBIACYAMUCSGOF-UHFFFAOYSA-N	226.279	2.675	30	50	BFEA	
C=CCn1c(COc2ccccc2)n[nH]c1=S	173320	NIAYRNAJFNFAIP-UHFFFAOYSA-N	247.323	2.706	30	50	BFEA	
N#C[C@@]12CCCC[C@@H]1CCC1(C2)OCCO1	393194	XDZWVZVEAHGFPL-NEPJUHHUSA-N	221.300	2.614	30	50	BFEA	
C=CCCc1ccccc1NC(=O)[C@@H]1CCCO1	252510931	ZRQLZUJEHPRNJR-AWEZNQCLSA-N	245.322	2.923	30	50	BFEA	
CN(C(=O)c1ccc(F)c(C#N)c1)[C@H]1CC1(C)C	253392549	FXJPCHBTPJMPEK-LBPRGKRZSA-N	246.285	2.568	30	50	BFEA	
O/N=C1\CCCc2[nH]c3ccccc3c21	83540	MYJLWCZBXSLDMA-SDNWHVSQSA-N	200.241	2.683	30	50	BFEA	
CC(=O)OC(C)(C)C(=O)/C=C/c1ccccc1	294615	WEZGWFGVKJJUNO-MDZDMXLPSA-N	232.279	2.611	30	50	BFEA	
CCc1cc2c(SCC#N)ncnc2s1	2849282	FDBOPXHOMCJBFE-UHFFFAOYSA-N	235.337	2.869	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC[C@@H](C#N)CC1	57354185	GWIFZKJNRMQRJU-SNVBAGLBSA-N	224.304	2.547	30	50	BFEA	in-vitro
N#Cc1ccc(Cl)nc1C(F)(F)F	75898640	YNOOOWSRQHMRAA-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	
C=C1[C@H]2[C@@H](O)OC[C@H]3[C@H]2[C@H](C(C)C)CC[C@@]13C	256966328	RVFULFDTCDRKNZ-SAAWNECCSA-N	236.355	2.826	30	50	BFEA	biogenic
CC#CC(=O)Nc1nc2c(C)c(C)ccc2s1	1471144257	WJOZUOMSBWIINH-UHFFFAOYSA-N	244.319	2.875	30	50	BFEA	
CC(C)=CC(=O)C[C@](C)(O)c1ccccc1	183452	DSWUMBKGTTUTAJ-AWEZNQCLSA-N	218.296	2.820	30	50	BFEA	
N#Cc1ccc(Cn2cnc3ccccc32)cc1	419911	KZMYEQMVROHICO-UHFFFAOYSA-N	233.274	2.956	30	50	BFEA	in-vitro
COc1ccccc1/C=C/C(=O)c1cccnc1	5671171	RHEQTDVPLWMMGR-CMDGGOBGSA-N	239.274	2.986	30	50	BFEA	
N#CCC1CCN(Cc2ccccc2)CC1	6661503	ZKOHFVJCKMHYSL-UHFFFAOYSA-N	214.312	2.812	30	50	BFEA	in-vitro
C=C(C)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1	13360048	WLRXMMDATRQQNQ-LBPRGKRZSA-N	228.247	2.673	30	50	BFEA	biogenic,in-vitro
C=CCn1cc(CN2CC[C@H](CCC)C2)c(C)n1	55119058	NIXZTRXOZVVTAR-AWEZNQCLSA-N	247.386	3.000	30	50	BFEA	
COC(=O)[C@]1(C)O[C@@]12C[C@@H](C)CC(C)(C)C2	227199614	PKPFVDFQTSVDKN-TVYUQYBPSA-N	226.316	2.533	30	50	BFEA	
CC[C@H](CC#N)NC(=O)C1=C[C@@](C)(CC)C1	1775997372	CTMSCWXRBCHUHV-DGCLKSJQSA-N	220.316	2.541	30	50	BFEA	
COc1ccc(CC#N)cc1Br	2565991	OBJKHHRZMIIEOK-UHFFFAOYSA-N	226.073	2.524	30	50	BFEA	biogenic,in-vitro
C/C(=N/Nc1ccccc1[N+](=O)[O-])C1CC1	12342932	RVMJZDOKOJNHOB-WQLSENKSSA-N	219.244	2.793	30	50	BFEA	
Fc1ccccc1C#CI	138820472	XJTSBOYVAFJJSV-UHFFFAOYSA-N	246.022	2.570	30	50	BFEA	
N#Cc1cccc(NCCC[C@@H]2CCCCO2)n1	186077088	IQYHKAZJORDMHO-ZDUSSCGKSA-N	245.326	2.714	30	50	BFEA	
Oc1cccc(/C=N/c2ccccc2O)c1	433453	PQKMAPANQMNEHB-NTEUORMPSA-N	213.236	2.848	30	50	BFEA	
CCO[P@](=O)(c1ccccc1)C1(C#N)CC1	444808	JZFGVBDJAWRJQE-MRXNPFEDSA-N	235.223	2.683	30	50	BFEA	
O=C1C[C@H]2CCCCN2C2=C1CCCC2	1761655	XCEGAJDOZFNNRC-SNVBAGLBSA-N	205.301	2.642	30	50	BFEA	
C[C@H]1CCCN(Cc2ccccc2C#N)C1	19486801	ADCDOTBFTGQZRP-LBPRGKRZSA-N	214.312	2.790	30	50	BFEA	
C=C/C(O)=N/[C@H](c1ccccc1)c1nc(C)no1	328597027	CQBRTCIBDLQYOA-GFCCVEGCSA-N	243.266	2.610	30	50	BFEA	
Clc1ccc2cccc(OC[C@H]3CO3)c2n1	1875378439	DAMGBSBDWWKCHZ-SECBINFHSA-N	235.670	2.666	30	50	BFEA	
N#Cc1c(N)sc2c1CCc1ccccc1-2	163961	JJKLELBOXAKAAD-UHFFFAOYSA-N	226.304	2.968	30	50	BFEA	
CC(=O)[C@H](C#N)c1ccc(F)cc1Cl	62610278	OETUACOSRMQVSB-VIFPVBQESA-N	211.623	2.675	30	50	BFEA	
C=CCOc1cc(C(=O)OC)cc2occc12	72228354	RDCNCRNVBIISCP-UHFFFAOYSA-N	232.235	2.784	30	50	BFEA	
Cc1nc(-c2ccc(C#N)cc2)cs1	113846	FOKBMJMDQCPNJI-UHFFFAOYSA-N	200.266	2.990	30	50	BFEA	
COc1cccc(/C=C\C(=O)c2ccncc2)c1	4566596	SMEDYRIIZMHYEO-WAYWQWQTSA-N	239.274	2.986	30	50	BFEA	
C=CCSc1nc(-c2ccccc2)n[nH]1	5847733	TWQFNUXVXFMLPV-UHFFFAOYSA-N	217.297	2.750	30	50	BFEA	
CCOc1ccc(/C=C/C(=O)CCC(=O)O)cc1	1382971	WVIFKBMCEYSBQB-ZZXKWVIFSA-N	248.278	2.532	30	50	BFEA	
N#CCC(=O)c1cccc(Br)c1	2579775	VBFNSHGLANEMRM-UHFFFAOYSA-N	224.057	2.545	30	50	BFEA	in-vitro
CC(C)(C)[C@](C)(O)C#C[C@@](C)(O)C(C)(C)C	2868448	QDCJURCJXBBNBG-ZIAGYGMSSA-N	226.360	2.584	30	50	BFEA	
O=C(C#CC(=O)c1ccccc1)c1ccccc1	398466	BLCJVQFFSUNDMV-UHFFFAOYSA-N	234.254	2.756	30	50	BFEA	biogenic,in-vitro
C/C(=N\O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C	4957377	BSOGYCPJWMOCCD-CMMQBRDDSA-N	241.331	2.841	30	50	BFEA	
Clc1ccc(/C=N/c2nnc[nH]2)c(Cl)c1	1847244	IKZFQFDQQNFWNI-UUILKARUSA-N	241.081	2.862	30	50	BFEA	
[N-]=[N+]=Nc1cnn(-c2ccccc2)c(=O)c1Cl	8383171	PXDKCEJJDZPWLF-UHFFFAOYSA-N	247.645	2.828	30	50	BFEA	
N#Cc1cc(F)cc(F)c1C(F)(F)F	263624890	UXLLZZMWGQHYGN-UHFFFAOYSA-N	207.101	2.855	30	50	BFEA	
N#Cc1cnc2cc(Br)ccc2c1O	53994628	FNDKKWUFCCNDEC-UHFFFAOYSA-N	249.067	2.575	30	50	BFEA	
C=C(Cl)CNC(=O)c1cc(C)sc1C	124607249	PLBBTMZLFRGPSE-UHFFFAOYSA-N	229.732	2.847	30	50	BFEA	
CCSc1ccc([C@@H](C)NCC#N)cc1	182113378	ROBXNYNNGMDVKG-SNVBAGLBSA-N	220.341	2.973	30	50	BFEA	
Cc1ccc(C2=C(CC(=O)O)C(=O)CC2)cc1	318929	BALIATPFOUBDIU-UHFFFAOYSA-N	230.263	2.586	30	50	BFEA	
N#CCC(=O)c1sccc1-n1cccc1	1406434	OEPSCFGAQZUCOE-UHFFFAOYSA-N	216.265	2.635	30	50	BFEA	
CCCCCCCC(=O)N[C@@H]1CCCC[C@H]1O	100661810	WYTIAVOLLZDODA-CHWSQXEVSA-N	241.375	2.767	30	50	BFEA	
Cc1nc(Cl)c(C#N)c(C)c1Br	168893	UUEREACRVVTQKF-UHFFFAOYSA-N	245.507	2.986	30	50	BFEA	
N#CC[C@H]1CCCN(Cc2ccccc2)C1	39214361	QLRIWGFJEARQCE-CQSZACIVSA-N	214.312	2.812	30	50	BFEA	
COc1cc(C#C[Si](C)(C)C)cc(OC)c1	170160110	DGSBDARVIGVKSP-UHFFFAOYSA-N	234.371	2.933	30	50	BFEA	
N#CC(C#N)=NNc1c(Cl)cccc1Cl	2870883	WEBDTAJDCTXAPX-UHFFFAOYSA-N	239.065	2.808	30	50	BFEA	
COc1ccc(Br)c(CC#N)c1	32298747	VSSZEBGUCILFSV-UHFFFAOYSA-N	226.073	2.524	30	50	BFEA	in-vitro
C#Cc1cccc(N[C@H]2C[C@]3(C)CCO[C@H]23)c1	1875279632	BBAXBYBNRUZIEO-ZNMIVQPWSA-N	227.307	2.647	30	50	BFEA	
Cc1nc(-c2ccccc2OC[C@H]2CO2)cs1	1875379897	ZCMDOJYNDYCEQU-SNVBAGLBSA-N	247.319	2.896	30	50	BFEA	
C=CC[C@H](CCCO)OCc1ccccc1	43199320	QNOSTEKYWYSJFL-CQSZACIVSA-N	220.312	2.920	30	50	BFEA	
N#Cc1sccc1-c1ccccc1C(=O)O	141247751	DGJXKRTXLSURKV-UHFFFAOYSA-N	229.260	2.985	30	50	BFEA	
C#CCN(C)Cc1sc(C)nc1C(F)(F)F	170611956	BXDBABNVOQDXEY-UHFFFAOYSA-N	248.273	2.535	30	50	BFEA	
c1ccc2cc(OC[C@@H]3CO3)ccc2c1	134035	BKYSFVJCBRHGMA-CYBMUJFWSA-N	200.237	2.617	30	50	BFEA	in-vitro
C#CCn1c(C(F)(F)F)nc2ccccc21	1384022	BGVAOBAJEPPXHE-UHFFFAOYSA-N	224.185	2.688	30	50	BFEA	
O/N=C1\CCC[C@H]1C[C@H]1CCC/C1=N\O	15767574	JUXFUPRYYBKRHQ-YMZJAYRBSA-N	210.277	2.637	30	50	BFEA	
COP(=O)(Cc1cccc(C#N)c1)OC	165455402	QXJONTDJAWIVSY-UHFFFAOYSA-N	225.184	2.544	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)N(C)c1ccccn1	185399239	AGDOCZDRCXKJCD-NSHDSACASA-N	218.300	2.647	30	50	BFEA	
COC(C)(C)CCNc1nc(C)c(C)cc1C#N	824250312	VQGCTRFCKFCERO-UHFFFAOYSA-N	247.342	2.797	30	50	BFEA	
CC(C)C(O)(C#CCN1CCCCC1)C(C)C	63686	LYPMYQFAMLMBLK-UHFFFAOYSA-N	237.387	2.519	30	50	BFEA	
C=CCN(CC=C)C(=O)/C=C/c1ccccc1	242089	OZUPCQVLMASRPB-ZHACJKMWSA-N	227.307	2.900	30	50	BFEA	
Cc1cccc(C)c1O[C@@H](C)C(=O)/C=C/N(C)C	1401852	NCTUISPZBHYEMV-LXKVQUBZSA-N	247.338	2.715	30	50	BFEA	
OCc1ccc(C#Cc2ccccc2)cc1	141676416	LLAXRYBKRTYKLH-UHFFFAOYSA-N	208.260	2.579	30	50	BFEA	
CC(C)=C1[C@H]2C=C[C@H]1[C@]13O[C@@]21[C@H]1C=C[C@H]3C1	257356154	GJWOOIWADZTQAL-QUTRTJBFSA-N	212.292	2.852	30	50	BFEA	
CC#CC(=O)N[C@H](CC)c1ccc(Cl)s1	283079318	DNPXQNUEFBAMDI-MRVPVSSYSA-N	241.743	2.992	30	50	BFEA	
CC1(C)OB(C2[C@@H]3CCC[C@@H]23)OC1(C)C	1772770346	KNOPKUHEOKRHAB-RKDXNWHRSA-N	208.110	2.879	30	50	BFEA	
N#CCc1ccccc1OC(F)(F)F	2560220	OIKWCWVMUBCXJM-UHFFFAOYSA-N	201.147	2.651	30	50	BFEA	
Cn1nccc1/C=C1/CCc2ccccc2C1=O	2771118	QHXJLUOLANGHTF-BENRWUELSA-N	238.290	2.633	30	50	BFEA	
CC1=C(/C(C)=N\O)/C(=N\O)[C@@H]2CCCC[C@H]2O1	4764990	FOEWKBVMWHWBLO-CLTMLTTMSA-N	238.287	2.530	30	50	BFEA	
CSC1=C(C)C(=O)c2ccccc2C1=O	1693223	LQCRQSQHGKVTCR-UHFFFAOYSA-N	218.277	2.703	30	50	BFEA	
N#CC[C@@H]1CCCN(Cc2ccccc2)C1	39214362	QLRIWGFJEARQCE-AWEZNQCLSA-N	214.312	2.812	30	50	BFEA	
O=CC12c3ccccc3[C@@H]3C1[C@H]3c1ccccc12	101043430	MAIJIHLVZUMKDO-JUVOFCAFSA-N	232.282	2.996	30	50	BFEA	
C=C(C)COc1ccc(C#N)cc1OC	4808623	DYTBZROKJQIPCJ-UHFFFAOYSA-N	203.241	2.522	30	50	BFEA	
N#Cc1nc(-c2ccccc2)oc1Cl	224845684	YROWVLHJEDTTBS-UHFFFAOYSA-N	204.616	2.867	30	50	BFEA	
C#CCOc1ccc2ccccc2c1C=O	2597461	PBBARMTULNYTSF-UHFFFAOYSA-N	210.232	2.664	30	50	BFEA	in-vitro
CC(C)N(CC#CC1(O)CCCCC1)C(C)C	34546799	SKWBIGRGTHTUPX-UHFFFAOYSA-N	237.387	2.804	30	50	BFEA	
C[C@H]1CC(=O)C=C(B2OC(C)(C)C(C)(C)O2)C1	202242537	KQLGMNXGSZJBMG-SECBINFHSA-N	236.120	2.543	30	50	BFEA	
COc1cc(C)ccc1C1(C)C=CC(=O)C=C1	4576727	ICNQBKXBEBKUKY-UHFFFAOYSA-N	228.291	2.956	30	50	BFEA	
N#Cc1cnc2nc(Cl)ccc2c1Cl	95707507	MEFSGEHETMCLGK-UHFFFAOYSA-N	224.050	2.808	30	50	BFEA	in-vitro
C=CCCCOC(=O)/C=C/c1cccc(O)c1	753459490	URSHQRPJFZJTGE-CMDGGOBGSA-N	232.279	2.915	30	50	BFEA	
CC(C)c1ccc2occ(C#N)c(=O)c2c1	155078	IMVAJLIIWCJMJP-UHFFFAOYSA-N	213.236	2.788	30	50	BFEA	in-vitro
CC1=NOC(=O)[C@H]1/N=N/c1cccc(Cl)c1	101922249	XPMCSTPXJPIPNF-XRNDOFNESA-N	237.646	2.725	30	50	BFEA	
Cc1cc(C#N)nc(NCC2(C)CCCC2)n1	231901827	ODEFODVVHGQUID-UHFFFAOYSA-N	230.315	2.649	30	50	BFEA	
Cc1cc(C)n2c(nc3ccccc32)c1C#N	361152	VEEHUUCFPCGPKD-UHFFFAOYSA-N	221.263	2.976	30	50	BFEA	
C#CC(CC)(CC)NC(=O)NC1CCCCC1	6726598	CWBGYMHRYGCGHN-UHFFFAOYSA-N	236.359	2.810	30	50	BFEA	
C=CCNCc1cccc(Oc2ncccn2)c1	13731606	JJEVHALTFOTCFF-UHFFFAOYSA-N	241.294	2.545	30	50	BFEA	
C/[N+]([O-])=C/c1ccc(Cl)cc1Cl	205806728	GINWUXORVLUUKS-WZUFQYTHSA-N	204.056	2.552	30	50	BFEA	
C(=N/n1cnnc1)\c1ccc(-c2ccccc2)cc1	554489	AZZWUTZSRHGGBL-VCHYOVAHSA-N	248.289	2.827	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@]1(C)C(C)C	211997757	LAHJKJARQPXKBG-VXGBXAGGSA-N	214.305	2.533	30	50	BFEA	
CN(C)/C=C/C(=O)c1ccc(F)c(Cl)c1	143109	ZOJGJDORYXDPEO-AATRIKPKSA-N	227.666	2.737	30	50	BFEA	
CN(C)c1ccc(N=C2C=CC(=O)C=C2)cc1	3861668	LHGMHYDJNXEEFG-UHFFFAOYSA-N	226.279	2.520	30	50	BFEA	
C=CC(=O)N(CC(=C)C)Cc1cnn(C(C)C)c1	328596964	BXBIODIIJYCCPK-UHFFFAOYSA-N	247.342	2.555	30	50	BFEA	
C=C/C(O)=N/[C@H](C)[C@H]1CCCN(C2CCC2)C1	328600532	YJSYEBGLPVAYIZ-NEPJUHHUSA-N	236.359	2.782	30	50	BFEA	
C=CCNC(=O)[C@H](C)SCc1ccccc1	2958029	MIONOTDUIWCNJK-NSHDSACASA-N	235.352	2.611	30	50	BFEA	
C=C[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	34184526	SEDZCRLQHSPEFD-SECBINFHSA-N	227.304	2.544	30	50	BFEA	in-vitro
CC(C)=CC(=O)[C@H](O)[C@H](C)c1ccc(C)cc1	222466334	GEYUWGLUFTZZAX-IUODEOHRSA-N	232.323	2.995	30	50	BFEA	biogenic
N#Cc1ccc(OC(F)F)cc1Br	224679855	DEKFUJSIORNWKY-UHFFFAOYSA-N	248.026	2.922	30	50	BFEA	in-vitro
C[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(O)c1	282255064	JQVJPVQSSRUJML-GVXVVHGQSA-N	230.311	2.735	30	50	BFEA	
CCc1ccc([C@]2(CC)O[C@@H]2C#N)cc1	307233128	POYRWLYNONPPEL-OLZOCXBDSA-N	201.269	2.777	30	50	BFEA	
C=C1CCN(C(=O)[C@@H]2CCC(F)(F)C2)CC1	336342192	FDDFYEDJJWKJIO-SNVBAGLBSA-N	229.270	2.600	30	50	BFEA	
CC(C)(C)C1=CC(=O)C(C(C)(C)C)=C(O)C1=O	4786286	OIBNNHWXRCJHCI-UHFFFAOYSA-N	236.311	2.969	30	50	BFEA	
N#Cc1cccnc1NCc1ccccc1	19430851	GSDQHSDPGWFMHN-UHFFFAOYSA-N	209.252	2.565	30	50	BFEA	in-vitro
N#Cc1cccnc1NCc1cccs1	19797697	VWMYTCXMQQUOEW-UHFFFAOYSA-N	215.281	2.627	30	50	BFEA	
N/N=C/C1=C(Cl)c2ccccc2CC1	43761449	SLHFQDQCAWAOOB-VGOFMYFVSA-N	206.676	2.527	30	50	BFEA	
C[C@@H](C#N)NC(=O)c1ccc(F)c2ccccc12	235494362	WTFFHUYJHMJYFJ-VIFPVBQESA-N	242.253	2.621	30	50	BFEA	
CC(C)Oc1ccc([C@@]2(C)O[C@H]2C#N)cc1	309512198	UZYGFDCGAOBDOX-QWHCGFSZSA-N	217.268	2.611	30	50	BFEA	
O=[N+]([O-])c1ccc(O)c(/C=N/c2nccs2)c1	101080	FYBNZFUHNPAOQZ-WUXMJOGZSA-N	249.251	2.508	30	50	BFEA	
C#C[C@H](C)N(C)C(=O)Nc1ccc(Cl)cc1	2038418	BYYMILHAKOURNM-VIFPVBQESA-N	236.702	2.825	30	50	BFEA	biogenic,in-vitro
O=C(/C=C/c1ccccc1)C(F)(F)F	2557087	ADEYYFREIBSWFP-VOTSOKGWSA-N	200.159	2.831	30	50	BFEA	
C#CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1	4827063	IWBACDGIZHNSIZ-UHFFFAOYSA-N	248.238	2.555	30	50	BFEA	
C[C@H]1O[C@@H]1COc1cccc(-c2nccs2)c1	1875324817	CDQMDXMFGJYCGN-BXKDBHETSA-N	247.319	2.976	30	50	BFEA	
Cc1cc2oc(=O)c(C#N)c(C)c2cc1Cl	58082	NUWIWGKMNPHRAI-UHFFFAOYSA-N	233.654	2.935	30	50	BFEA	biogenic
C=C(C)[C@H]1Cc2cc3ccc(=O)oc3cc2O1	225559	VMWUHWZFDITAOL-LLVKDONJSA-N	228.247	2.673	30	50	BFEA	biogenic,in-vitro
C#C[C@@H](C)OC(=O)Nc1cccc(Cl)c1	2036776	ULBXWWGWDPVHAO-MRVPVSSYSA-N	223.659	2.910	30	50	BFEA	biogenic,in-vitro
CCO/C=C(\C)C(=O)c1ccccc1F	308732630	AXGIKIPTEAAYOQ-CMDGGOBGSA-N	208.232	2.949	30	50	BFEA	
C=C(C)CN(CC)Cc1ccc2c(c1)OCO2	4670468	AFMFKRGKUADSQE-UHFFFAOYSA-N	233.311	2.813	30	50	BFEA	
N#Cc1cccc(OCC(=O)c2ccccc2)c1	4826005	QGHNBVFIKZBUMB-UHFFFAOYSA-N	237.258	2.820	30	50	BFEA	
C=Cc1ccccc1B1OC(C)(C)C(C)(C)O1	199507469	LMSISTSGLMQBGW-UHFFFAOYSA-N	230.116	2.629	30	50	BFEA	
CC(C)Oc1cccc(OC[C@@]2(C)CO2)c1	1875325407	MZUNCCGDRHUTLZ-ZDUSSCGKSA-N	222.284	2.642	30	50	BFEA	
N#Cc1ccc(OC2CCCCC2)nc1	19475949	YLPGOZAMCPACJH-UHFFFAOYSA-N	202.257	2.665	30	50	BFEA	in-vitro
N#CCCC/C=C/CO[C@@H]1CCCCO1	34520578	RIWZVGMEJFXPKY-UXONFWTHSA-N	209.289	2.780	30	50	BFEA	
CCCCCCCC(=O)C[C@H]1CCOC1=O	64859356	YLZYTNRUFRQSBY-LLVKDONJSA-N	226.316	2.869	30	50	BFEA	in-vitro
O=C(/C(=N\O)c1ccccc1)c1ccccc1	100069909	OLBYFEGTUWWPTR-SQFISAMPSA-N	225.247	2.748	30	50	BFEA	
C=CCN[C@H](C)c1cc(Cl)ccc1O	130679876	DHROEIWZWDUNIX-MRVPVSSYSA-N	211.692	2.882	30	50	BFEA	
Oc1ccccc1C=Nc1ccccc1O	254526652	CHBGIQHEGBKNGA-UHFFFAOYSA-N	213.236	2.848	30	50	BFEA	
C(=N/Nc1ccccn1)\c1cccs1	4737973	WSSYFBKJUAUOLO-XYOKQWHBSA-N	203.270	2.589	30	50	BFEA	
COc1cccc(/C=N/c2cccc(C)n2)c1O	8657064	VNHTVXGLHCZTHP-OQLLNIDSSA-N	242.278	2.855	30	50	BFEA	
C=CCN(CC=C)CCOc1ccccc1F	20272463	YWFKZEHEOQIXKV-UHFFFAOYSA-N	235.302	2.879	30	50	BFEA	
C=CC[C@@]1(O)CC[C@H](C(C)(C)C)[C@@H](O)C1	34431348	IVDIRXYPTPIDBO-GMXVVIOVSA-N	212.333	2.501	30	50	BFEA	
C=CCN[C@H](c1cccc(OC)c1)C1CC1	195572773	HFWAJDWFRMEBSX-AWEZNQCLSA-N	217.312	2.922	30	50	BFEA	
CCCCCC/C=C/C[C@H](O)CC(=O)OC	201233130	WQAMZSPBYWALBP-BCPZQOPPSA-N	228.332	2.827	30	50	BFEA	
Cc1cc(Br)c(F)c(C#N)c1	238457398	KPGJEXZQSFSJNZ-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	
OC[C@@H](Cc1ccccc1)/N=C/c1ccccc1	6529719	XPAUYOLNAAYWDN-QRYYFKOISA-N	239.318	2.709	30	50	BFEA	
C/C(=N/O)c1ccc(-n2cccc2)cc1	11536102	PXPFQUACXGFCRJ-RAXLEYEMSA-N	200.241	2.676	30	50	BFEA	
C=CCOc1ccc(/C(CC)=N/O)cc1OC	13153820	DRFVIOAEJXHUGJ-SDNWHVSQSA-N	235.283	2.848	30	50	BFEA	
CCNC(=S)N(Cc1ccccc1)N=C(C)C	164964885	HKDVCRXVZZYIDW-UHFFFAOYSA-N	249.383	2.779	30	50	BFEA	
C[C@@H](CC=O)c1cn(C)c2ccccc12	2548271	OQWWHYBHQFZHLP-JTQLQIEISA-N	201.269	2.871	30	50	BFEA	
N#Cc1ccc([C@H](O)c2cccc(F)c2)cc1	85483721	OBZFKUCGZVOHJQ-AWEZNQCLSA-N	227.238	2.779	30	50	BFEA	in-vitro
CC(C)OB(C#CC(C)(C)C)OC(C)C	169877139	FLHZJMZNIOCRSX-UHFFFAOYSA-N	210.126	2.913	30	50	BFEA	
CC1(C)CCC[C@@H]1NC(=O)c1sccc1C#N	174947922	PNVLDIQWHQBCAZ-JTQLQIEISA-N	248.351	2.928	30	50	BFEA	
C=CCNC(=O)Nc1nc(C2CCC2)cs1	282932566	GBANRGPHJZHRHU-UHFFFAOYSA-N	237.328	2.718	30	50	BFEA	
CCCCCCCCC(C(=O)O)C(=O)O	2031172	QJGNSTCICFBACB-UHFFFAOYSA-N	216.277	2.522	30	50	BFEA	
CCc1cc(Br)ccc1C#N	39101420	AUVHFKHIXUZCKD-UHFFFAOYSA-N	210.074	2.883	30	50	BFEA	in-vitro
CCCc1n[nH]c2c1/C(=N\O)CC(C)(C)C2	103337979	LMBUFSHRHWDKOE-GDNBJRDFSA-N	221.304	2.513	30	50	BFEA	
C#CCCCCC(=O)Nc1ccc(OC)cc1O	135409818	OCBIRPKIKYUVOC-UHFFFAOYSA-N	247.294	2.533	30	50	BFEA	
CC(C)Oc1cccc(OC[C@@H]2O[C@@H]2C)c1	1875325068	HNZJJBYWLBMRGZ-MFKMUULPSA-N	222.284	2.640	30	50	BFEA	
C=CCn1c([C@H](O)CC)nc2ccccc21	7548187	PWMAFOVVFYBHQA-GFCCVEGCSA-N	216.284	2.666	30	50	BFEA	
C=CCOc1ccccc1NC(=O)C1CC1	9815259	WTLHMVFCPJWAJH-UHFFFAOYSA-N	217.268	2.600	30	50	BFEA	
C/C(=N\Nc1nc(C)cc(C)n1)c1ccccc1	12416842	PRXAIKISHRXOCR-SFQUDFHCSA-N	240.310	2.930	30	50	BFEA	
CC(=O)c1ccc(Br)c(C#N)c1	66325826	JXUIGUNENZXIEQ-UHFFFAOYSA-N	224.057	2.523	30	50	BFEA	
CCO/C=C1/Cc2cc(Cl)ccc2C1=O	127685360	OLCFWTGQAXMXIG-CLFYSBASSA-N	222.671	2.999	30	50	BFEA	
N#Cc1cccnc1Sc1ccc(C=O)o1	226095209	ZDLCDSYZRZGIKH-UHFFFAOYSA-N	230.248	2.510	30	50	BFEA	
C=C/C(O)=N/C(C)(C)c1noc(C(C)(C)C)n1	328597591	HWEREMUUWPDTMU-UHFFFAOYSA-N	237.303	2.745	30	50	BFEA	
c1ccc(Oc2ccc(OC[C@@H]3CO3)cc2)nc1	1875378373	BGQLRSYHHXRDEF-CYBMUJFWSA-N	243.262	2.652	30	50	BFEA	
Cc1cccc(/C=N/N=C/c2cccc(C)n2)n1	1693883	VSJRZCZUEFIXFC-KAVGSWPWSA-N	238.294	2.546	30	50	BFEA	
CCCCC(=O)Nc1ccc(C#N)cc1	2734993	ZRGDTKXJUWJTSJ-UHFFFAOYSA-N	202.257	2.687	30	50	BFEA	
CCN(CC)CCO/N=C(\C)c1ccccc1	34117625	FEANMTJMZIRCBH-FYWRMAATSA-N	234.343	2.769	30	50	BFEA	
CC#CC(=O)Nc1ccc(OC(C)C)c(C)c1	283090883	FMKZJQMBVJFYQU-UHFFFAOYSA-N	231.295	2.744	30	50	BFEA	
N#CCc1ccc(NC(=O)c2ccco2)cc1	34399	KRRZEIPFEWLBMU-UHFFFAOYSA-N	226.235	2.598	30	50	BFEA	
C=CCNC(=S)Nc1ccc(OCC)cc1	2688690	JUYGRDKXJBNWHN-UHFFFAOYSA-N	236.340	2.558	30	50	BFEA	
CCO[C@@H]1C[C@@H](N[C@H](CC)CC#N)C12CCC2	225244502	SAIPQXUFAYWMCZ-JHJVBQTASA-N	236.359	2.616	30	50	BFEA	
Cc1nnc(C)n1/N=C/c1ccc(C(C)C)cc1	135499	ULHOGIXZNMDDKK-OQLLNIDSSA-N	242.326	2.901	30	50	BFEA	
C=CCNC(=S)Nc1ccc(C)c(C)c1	2995141	LYQOMYLUMYVEFZ-UHFFFAOYSA-N	220.341	2.776	30	50	BFEA	
C#C[C@@H](C)N(C)C(=O)Nc1ccc(Cl)cc1	12955462	BYYMILHAKOURNM-SECBINFHSA-N	236.702	2.825	30	50	BFEA	biogenic,in-vitro
C#Cc1ccc(C(=O)OC(C)(C)C)cc1	34199262	FWAUARVBLKIMRS-UHFFFAOYSA-N	202.253	2.623	30	50	BFEA	in-vitro
CC1(C)OB(c2csc(Cl)c2)OC1(C)C	199487997	DOSLKRUJMFJILD-UHFFFAOYSA-N	244.552	2.701	30	50	BFEA	
Cc1ccc(CNc2oc(C)nc2C#N)cc1	71077	SRIFRIDCNQEVQZ-UHFFFAOYSA-N	227.267	2.775	30	50	BFEA	
C=CCC[C@H](C)NCc1cn2ccccc2n1	195561586	HWOJGAGCOOWFGR-LBPRGKRZSA-N	229.327	2.779	30	50	BFEA	
C=C/C(O)=N/[C@@H]1CCCC[C@H]1n1cccn1	328597176	FGUXTXVIUQRBBC-GHMZBOCLSA-N	219.288	2.509	30	50	BFEA	
C=CCNCc1cccc(Br)c1	6855917	GQAFXFFNHAJIOA-UHFFFAOYSA-N	226.117	2.725	30	50	BFEA	in-vitro
N#Cc1ccc(O[C@@H]2CCCCO2)cc1F	217431031	VFGXWMIHKUTIGO-GFCCVEGCSA-N	221.231	2.603	30	50	BFEA	
C=CC(=O)N(c1ccccc1C#N)C1CCC1	1776007284	NWAYPEGFKKRBQO-UHFFFAOYSA-N	226.279	2.630	30	50	BFEA	
CC(C)Oc1cccc(OC[C@]2(C)CO2)c1	1875325406	MZUNCCGDRHUTLZ-CYBMUJFWSA-N	222.284	2.642	30	50	BFEA	
O=C1CCCC/C1=N\Nc1ccc(F)cc1	100293030	PQLGJYWEBWNBLE-RVDMUPIBSA-N	220.247	2.737	30	50	BFEA	
CCOC(=O)c1ccc(NC(C)(C)C#N)cc1	170624079	GVIXWPKDQBGNFK-UHFFFAOYSA-N	232.283	2.577	30	50	BFEA	
C[C@@H](CC#N)Nc1nc2c(F)cccc2o1	260017494	BZHYYHPQFWVWEP-ZETCQYMHSA-N	219.219	2.681	30	50	BFEA	
N#Cc1ccc(Sc2ncco2)c([N+](=O)[O-])c1	408514857	OEHCSUOETZMXNZ-UHFFFAOYSA-N	247.235	2.606	30	50	BFEA	
CC(=O)C1=Cc2cc(C)c(C)cc2OC1	675063897	SDWYOGJZFMEXTC-UHFFFAOYSA-N	202.253	2.668	30	50	BFEA	
CCOC(=O)[C@@H](C#N)c1ccccc1Cl	2530096	RASKCCDHQWXWHO-VIFPVBQESA-N	223.659	2.510	30	50	BFEA	
C=CCc1c(F)c(F)c(C(=O)O)c(F)c1F	2572164	INABVTWXXDFTOB-UHFFFAOYSA-N	234.148	2.670	30	50	BFEA	biogenic,in-vitro
Cc1cc(-c2c(C#N)c(C)n(C)c2C)ccn1	426541243	JBNQCKMIVAJGJJ-UHFFFAOYSA-N	225.295	2.884	30	50	BFEA	
Cc1nc2sc(C#N)c(N)c2c(C)c1C	50204	DCAJTYVEAQDBII-UHFFFAOYSA-N	217.297	2.675	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCC[C@@H]2CO)CC1	4985595	FGWKUVQCXOEULL-LSDHHAIUSA-N	235.371	2.746	30	50	BFEA	
N#Cc1cc(F)c(F)cc1Br	16158446	YHOIAMUAYXTORN-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
Cc1cccc(/C=N/OCc2ccccc2)n1	1635627	CISKZGJZNWBKSC-XNTDXEJSSA-N	226.279	2.941	30	50	BFEA	in-vitro
C=CCNC(=O)Nc1ccc(OC)c(Cl)c1	4002127	ARVVRZBARPZFOC-UHFFFAOYSA-N	240.690	2.656	30	50	BFEA	
Nc1ccc(C(=O)/C=C/c2ccco2)cc1	4159685	RAJXSKUOVLPIKF-BQYQJAHWSA-N	213.236	2.758	30	50	BFEA	
N#Cc1c(N)ccc(Cl)c1Br	258830332	FTLQTMJDWBPFGI-UHFFFAOYSA-N	231.480	2.556	30	50	BFEA	
C#CC1(O)CCN([C@H](C)c2cccc(C)c2)CC1	585133533	LBKFSYPHPZPPKO-CQSZACIVSA-N	243.350	2.516	30	50	BFEA	
CC1(C)CCC2=C(O1)C(=O)c1ccccc1C2=O	1628348	PJWHOPKRRBUSDH-UHFFFAOYSA-N	242.274	2.909	30	50	BFEA	biogenic,in-vitro
C[C@@H]1CCN(c2ccc(C#N)cc2)CCS1	276888582	JRQHQWZGGJYTCI-LLVKDONJSA-N	232.352	2.890	30	50	BFEA	
C/N=C(/S)Nc1cc(C)ccc1OC(F)F	13519613	SSOMQPHPMCKQCK-UHFFFAOYSA-N	246.282	2.924	30	50	BFEA	
C=CCCO[C@@H](C)C(=O)N1CCCCCCC1	125063830	LHHWZXAGALNKCX-ZDUSSCGKSA-N	239.359	2.760	30	50	BFEA	
CC1(C)OB(C2=C[C@H]3C=C[C@H]2C3)OC1(C)C	1875389792	HMEDULVHIZNNJN-UWVGGRQHSA-N	218.105	2.750	30	50	BFEA	
Oc1ccccc1/C=N/N=C/c1ccccc1	2227861	GUVKXRKDJAEWRO-RWPWKDLBSA-N	224.263	2.845	30	50	BFEA	
CCCCC(=O)Nc1ccccc1C#N	2998874	MVVVNBZBGWEGHF-UHFFFAOYSA-N	202.257	2.687	30	50	BFEA	
Cc1sc(NC(=O)C(C)C)c(C#N)c1C	4436522	MAPFGZGJWXIVEV-UHFFFAOYSA-N	222.313	2.831	30	50	BFEA	
C=CCn1c(-c2ccccc2)n[nH]c1=S	18249651	ZLSZMYUZPQLFCY-UHFFFAOYSA-N	217.297	2.794	30	50	BFEA	in-vitro
Cc1ccc(Oc2c(/C=N/O)c(C)nn2C)cc1	1875391289	UOCUUUXLXVRNEP-RIYZIHGNSA-N	245.282	2.637	30	50	BFEA	
C=CCOc1cc(OCC=C)cc(C(=O)O)c1	2383809	DYXSRNKEBQTTIB-UHFFFAOYSA-N	234.251	2.514	30	50	BFEA	
COc1c(Br)cccc1CC#N	216412233	LHMNKBGKOIMKCU-UHFFFAOYSA-N	226.073	2.524	30	50	BFEA	
CC(C)c1ccc([C@]2(C)O[C@H]2C#N)cc1	306519827	JHOBRAMQRPHFDG-STQMWFEESA-N	201.269	2.948	30	50	BFEA	
CC(=O)N(O)Cc1cc(Cl)cc(Cl)c1	901379486	BSEXOEZUXCLSRE-UHFFFAOYSA-N	234.082	2.731	30	50	BFEA	
Cc1noc(C)c1-c1ccc(OC[C@H]2CO2)cc1	1875378556	GDLVQDNOLICAEU-ZDUSSCGKSA-N	245.278	2.736	30	50	BFEA	
Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1	169988740	QGOMTDDALYCQMG-UHFFFAOYSA-N	238.161	2.664	30	50	BFEA	in-vitro
N#C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1	2383130	GHZHWDWADLAOIQ-ZDUSSCGKSA-N	239.274	2.948	30	50	BFEA	biogenic,in-vitro
C=CCC[C@@H](O)CN1CCCC[C@H](SC)C1	134550916	UYYJJBGJANYLBL-OLZOCXBDSA-N	243.416	2.531	30	50	BFEA	
C[C@@]1(c2ccc3ccccc3c2)O[C@@H]1C#N	390108151	VDBMCOVPJUBJBO-KGLIPLIRSA-N	209.248	2.977	30	50	BFEA	
Cc1cnnc(-c2cccc(C#N)c2)c1C	2100539645	RIASCNOEIURLMF-UHFFFAOYSA-N	209.252	2.632	30	50	BFEA	
N#Cc1ccccc1NC(=O)c1ccc(F)cc1	142732	BIGFKIVIYQNJSR-UHFFFAOYSA-N	240.237	2.950	30	50	BFEA	
O=C(/C=C\c1cccc(O)c1)c1cccnc1	4566598	YWQFCRRNTSUDQK-SREVYHEPSA-N	225.247	2.683	30	50	BFEA	
CC(=O)[C@@H](C#N)c1ccc(Br)cc1	22126409	KBODHHFICHANMJ-SNVBAGLBSA-N	238.084	2.645	30	50	BFEA	in-vitro
COc1cc(CN2CCC[C@H](C#N)C2)ccc1F	97323880	QXTYXCXHBWVZRD-GFCCVEGCSA-N	248.301	2.570	30	50	BFEA	
COc1ccc(N/N=C2\CCCCC2=O)cc1	100499285	KNCDPROEWFUTIJ-NTCAYCPXSA-N	232.283	2.606	30	50	BFEA	
CC1(C)CN(CCCC#N)CC2(CCCC2)O1	190981054	CNUYGONKHWOHCS-UHFFFAOYSA-N	236.359	2.714	30	50	BFEA	
C(=NOCc1ccccc1)c1ccccn1	254128397	OFVXRRHDUXNKLS-UHFFFAOYSA-N	212.252	2.632	30	50	BFEA	
N#Cc1cccc(/N=C/c2cccc(O)c2O)c1	125119	LLZTUYOTUNPGML-CXUHLZMHSA-N	238.246	2.720	30	50	BFEA	
Fc1cccc(C#CI)c1	98044483	QZXPGJSXTOUDCF-UHFFFAOYSA-N	246.022	2.570	30	50	BFEA	
C=C1OC(=O)O[C@@]1(C)Cc1ccccc1	1235117	HSFHALUNPNBMJY-LBPRGKRZSA-N	204.225	2.668	30	50	BFEA	
CC(C)CCSc1nc(N)c(C#N)cc1C#N	20387632	TWBVQIJUXSQGLL-UHFFFAOYSA-N	246.339	2.545	30	50	BFEA	
C=C(Br)CN1CCC[C@H](C)C1	52440588	NAWZPXIHCWXUIL-QMMMGPOBSA-N	218.138	2.627	30	50	BFEA	in-vitro
CN1C=CC=CC1=CC=C1C=CC(=O)C=C1	1857525215	WLHKMTNVCBYKQU-UHFFFAOYSA-N	211.264	2.507	30	50	BFEA	
N#CCC(=O)Nc1cccc(C(F)(F)F)c1	136796	HYPXSLNQQNLJDY-UHFFFAOYSA-N	228.173	2.558	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)NC1(CC=O)CCCCC1	72481755	OFUFLFMPZVVWTK-UHFFFAOYSA-N	241.331	2.803	30	50	BFEA	in-vitro
CCOC(=O)[C@]1(CC)O[C@@]1(C)[C@@H](C)CC	220823295	ONAFDEUHKMTQFO-DLOVCJGASA-N	214.305	2.533	30	50	BFEA	
N#CCC1CCN(CC2CC(F)(F)C2)CC1	336274606	BNMKAFZRNHDGMX-UHFFFAOYSA-N	228.286	2.657	30	50	BFEA	
O=C1c2ccccc2N[C@@H](c2cccs2)N1O	196126	OVWQPDCULUSUTF-LLVKDONJSA-N	246.291	2.704	30	50	BFEA	
CN(C)/C=C/C(=O)c1sccc1Cl	1401692	JDJRLADAALOSDU-HWKANZROSA-N	215.705	2.660	30	50	BFEA	
CC/C(C)=N/Nc1ccc([N+](=O)[O-])cc1	4754860	HCKKWFJUSMCMHZ-DHZHZOJOSA-N	207.233	2.793	30	50	BFEA	
CO[C@@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	202718523	PUJKAJRQPDUAFS-LLVKDONJSA-N	238.136	2.743	30	50	BFEA	
N#Cc1cccc(NC(=O)Cc2ccccc2)c1	142250	AFBIVMWJUFLUNW-UHFFFAOYSA-N	236.274	2.739	30	50	BFEA	in-vitro
O=C(/C=C/c1ccc(CO)o1)c1ccccc1	5681112	PAGMPWNTQNKMDO-CMDGGOBGSA-N	228.247	2.668	30	50	BFEA	
O=C(O)C[C@H]1CCC(c2ccccc2)=CC1=O	34291257	CKQJLFJSJUIOEL-GFCCVEGCSA-N	230.263	2.524	30	50	BFEA	
CC(C)(C)N/C=C/C(=O)c1ccccc1[N+](=O)[O-]	43761134	PFUKKOZYUXIQIH-CMDGGOBGSA-N	248.282	2.679	30	50	BFEA	
C[C@H](C#N)CNCC1(c2ccccc2)CCC1	1616034012	GNBGJDPQEYYQDC-CYBMUJFWSA-N	228.339	2.858	30	50	BFEA	
N#CCCNc1cc2ccccc2cc1C(=O)O	2478915	KDJZSPWAASAKAZ-UHFFFAOYSA-N	240.262	2.864	30	50	BFEA	
CC(C)/N=C(\NC(C)C)OC(C)(C)C	34611877	FESDUDPSRMWIDL-UHFFFAOYSA-N	200.326	2.564	30	50	BFEA	
C=C(C)C[C@H]1CC[C@](C)(C(=O)OCC)C1=O	43214755	VVLWKFBAMQZYFB-MFKMUULPSA-N	224.300	2.501	30	50	BFEA	
N#CC1(c2cccc([N+](=O)[O-])c2)CCC1	141629473	HWARNLYPVCYXJB-UHFFFAOYSA-N	202.213	2.540	30	50	BFEA	
Cc1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1	169986454	BOEXYCYPLLWKMJ-UHFFFAOYSA-N	232.132	2.603	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@]1(C)CC(C)C	211970250	VGJJOZJIBFDZRP-OLZOCXBDSA-N	228.332	2.923	30	50	BFEA	
CN1CCS/C1=C\C=Nc1ccccc1	334157184	PTROZTUDAJIDBT-KACKULFRSA-N	218.325	2.909	30	50	BFEA	
Cc1nsc(NC[C@H]2CC23CCC3)c1C#N	2325766180	RRRFNHVKQCGDSC-SECBINFHSA-N	233.340	2.925	30	50	BFEA	
N#CCn1c(C(F)(F)F)nc2ccccc21	4003160	FGQQPVKNHDGDEY-UHFFFAOYSA-N	225.173	2.579	30	50	BFEA	
CC(=O)/C=C(/C)N[C@@H](C)c1ccccc1	4086138	IPLGCPNCNNFYEO-PRDAAYKISA-N	203.285	2.830	30	50	BFEA	
C[C@@]1(c2ccc(Br)cc2)O[C@H]1C#N	306361676	QDEZPKYZQTVANL-UWVGGRQHSA-N	238.084	2.587	30	50	BFEA	
O=C(/C=C\c1ccccc1O)c1ccccn1	4566609	JKTCHMQMVYEGAI-HJWRWDBZSA-N	225.247	2.683	30	50	BFEA	
CC(=O)/C=C/c1cn(C(C)=O)c2ccccc12	12341330	BVTIGHQAQCJFGF-BQYQJAHWSA-N	227.263	2.904	30	50	BFEA	
CN(C)/C=C/C=C/C(=O)c1ccccc1N(C)C	18083413	RGGKNXSWDUTXSN-MKICQXMISA-N	244.338	2.567	30	50	BFEA	
N#Cc1cc(Cl)c(C=O)c(Cl)c1	75629630	QKJHOBOTYMPIKQ-UHFFFAOYSA-N	200.024	2.678	30	50	BFEA	
N#Cc1cccc(NCc2ccc(C#N)o2)c1	166378115	BNYKAKRWOHRWOG-UHFFFAOYSA-N	223.235	2.635	30	50	BFEA	
C#C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1	226066017	LPRJMEKYEATMBZ-NSHDSACASA-N	223.316	2.657	30	50	BFEA	
CC(C)c1ccc([C@]2(C)O[C@@H]2C#N)cc1	306519825	JHOBRAMQRPHFDG-OLZOCXBDSA-N	201.269	2.948	30	50	BFEA	
c1csc(Oc2ccc(OC[C@@H]3CO3)cc2)n1	1875378871	KRFWQIQUPUKZGD-LLVKDONJSA-N	249.291	2.713	30	50	BFEA	
C=CCOc1ccc([C@@H](O)CC)cc1OC	2236357	NCGGPTUSFJZYKA-NSHDSACASA-N	222.284	2.703	30	50	BFEA	
COc1cc(/C=N/Nc2ccccc2)ccc1O	3899994	BYJHTDOYXMLKFQ-XNTDXEJSSA-N	242.278	2.847	30	50	BFEA	biogenic
Nc1cccc(/C=C/C(=O)c2cccc(N)c2)c1	4421717	AOKSIVVSCQOMRN-BQYQJAHWSA-N	238.290	2.747	30	50	BFEA	
N#Cc1cccnc1Sc1ccccc1N	9482400	BRZVDYGBEMANID-UHFFFAOYSA-N	227.292	2.687	30	50	BFEA	
C=CCc1c(C)nc(SCCCC)[nH]c1=O	13424418	DWAVTNUIYXETFV-UHFFFAOYSA-N	238.356	2.699	30	50	BFEA	
CCCCCCCC(=O)N[C@H]1CCCCC1=O	100661804	XFGXBEBYWDZIJM-LBPRGKRZSA-N	239.359	2.975	30	50	BFEA	
Nc1ccccc1C#Cc1ccc(F)cc1	167708970	TUKBDCKEFZMYLE-UHFFFAOYSA-N	211.239	2.808	30	50	BFEA	
C#CC(CC)(CC)NC(=O)Cc1ccccc1C	6725801	UJLUNSUAHZYDBP-UHFFFAOYSA-N	243.350	2.846	30	50	BFEA	
O/N=C1/c2ccccc2-c2nc3ccccc3nc21	12360522	SZHHSFHOIDCNLD-JXAWBTAJSA-N	247.257	2.837	30	50	BFEA	
C[Si](C)(C)C#Cc1cc(F)ccc1N	169804574	OKSLJFHZXHCOQX-UHFFFAOYSA-N	207.324	2.637	30	50	BFEA	
FC(F)(F)O[C@](F)(C[C@@H]1CO1)C(F)(F)F	2530917	YLTWQTPPDBTMJI-QWWZWVQMSA-N	242.090	2.540	30	50	BFEA	
CCCCCC/C=C\C[C@@H](O)CC(=O)OC	201233166	WQAMZSPBYWALBP-JLVNDZCYSA-N	228.332	2.827	30	50	BFEA	
N#Cc1ccc(CN[C@H]2CCCC[C@@H]2F)o1	1615629693	FQGGTUHODHVXLT-RYUDHWBXSA-N	222.263	2.522	30	50	BFEA	
Clc1ccc2ncc(OC[C@@H]3CO3)cc2c1	1875379806	XJVUQZBWHYPKNI-LLVKDONJSA-N	235.670	2.666	30	50	BFEA	
N#Cc1ccc(Oc2ccc(N)cc2)cc1	281576	YDNICCZCAISDAG-UHFFFAOYSA-N	210.236	2.933	30	50	BFEA	in-vitro
Nc1ccc(C(=O)/C=C\c2ccncc2)cc1	4531798	RCUGSZKISDCJQH-BHQIHCQQSA-N	224.263	2.560	30	50	BFEA	
C=C(C)CNCc1cnc2c(cnn2C(C)C)c1	119622517	SCGBAYPCXWPCMM-UHFFFAOYSA-N	244.342	2.678	30	50	BFEA	
C(#Cc1[nH]nc2ncccc12)CC1CCCC1	1506420038	RJSXYXQWAFUZPV-UHFFFAOYSA-N	225.295	2.890	30	50	BFEA	
Oc1ccc(/C=N/c2ccc(O)cc2)cc1	271726	LJMQHGKETUOVSG-NTEUORMPSA-N	213.236	2.848	30	50	BFEA	
Cc1ccc(-c2cc(C3CC3)c(C#N)c(N)n2)o1	67867410	RMIDYGPUVHRELR-UHFFFAOYSA-N	239.278	2.981	30	50	BFEA	
O=C[C@@H](C(=O)Cc1ccccc1)c1ccccc1	101134681	IZFGSRBIUVGIMT-OAHLLOKOSA-N	238.286	2.781	30	50	BFEA	
N#Cc1cc(Br)cc(Cl)c1O	238719059	HFUTUKKYMCXKPF-UHFFFAOYSA-N	232.464	2.680	30	50	BFEA	
CC1(C)OB(/C=C/c2cccnc2)OC1(C)C	200390108	XUKWNEMIMBQPEB-BQYQJAHWSA-N	231.104	2.726	30	50	BFEA	
C(#Cc1cccc2c1CCCC2)c1cncnc1	1875302662	BBJWBIMZFNNLRZ-UHFFFAOYSA-N	234.302	2.755	30	50	BFEA	
Cc1ccc(/N=C2/NC[C@H](C)S2)cc1	972878	AOYUFMHJLUCTHN-VIFPVBQESA-N	206.314	2.707	30	50	BFEA	
C#CC(C)(C)OC(=O)Nc1ccccc1	1077133	ULBSSUIJJSCNPA-UHFFFAOYSA-N	203.241	2.647	30	50	BFEA	
CCO/C(C)=N\Oc1cc(=O)oc2ccccc12	13372162	LTLXZNUHLOPMGB-ZROIWOOFSA-N	247.250	2.542	30	50	BFEA	
N#Cc1cccnc1NC1CC(Cl)(Cl)C1	952995766	YFBZBIUTTKQPNG-UHFFFAOYSA-N	242.109	2.701	30	50	BFEA	
O=C(/C(=N/O)c1ccccc1)c1ccccc1	4482988	OLBYFEGTUWWPTR-FYWRMAATSA-N	225.247	2.748	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCC[C@H](O)C2)CC1	4988808	WDPXODBODZAIGF-GJZGRUSLSA-N	235.371	2.746	30	50	BFEA	
C[Si](C)(C)C#C[C@@H](O)c1ccccc1	169744013	RVTDALNDYLDVMN-GFCCVEGCSA-N	204.345	2.601	30	50	BFEA	
N#Cc1c(F)cc(Br)c(F)c1F	1857783765	HQTCOSQFCOLILP-UHFFFAOYSA-N	235.990	2.738	30	50	BFEA	
C=CCOc1ccc(/C=C/C(C)=O)cc1	2929117	LQRQXLFRTJZPCL-SNAWJCMRSA-N	202.253	2.854	30	50	BFEA	
NC1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1	13398270	PDFBDCHLULBNQS-SECBINFHSA-N	221.687	2.629	30	50	BFEA	
N#Cc1n[nH]c2cc(Cl)c(Cl)cc12	82048613	KPYROIGJUKKVPI-UHFFFAOYSA-N	212.039	2.741	30	50	BFEA	in-vitro
C=C[C@H]1CCN(c2cc(C(C)C)ncn2)C1	1772711876	XSBZOIPAMRINRI-NSHDSACASA-N	217.316	2.612	30	50	BFEA	
CCOc1ccc(Br)cc1/C=N/O	11802086	OHTNAXRFUOZZOB-IZZDOVSWSA-N	244.088	2.656	30	50	BFEA	
CC(C)(C)OC(=O)NCc1ccccc1C#N	91351539	UVSPFCKIIRSFTO-UHFFFAOYSA-N	232.283	2.583	30	50	BFEA	
Cc1cc(C)cc(B2OC(C)(C)C(C)(C)O2)c1	196003989	XWCNEQGQJTWRHX-UHFFFAOYSA-N	232.132	2.603	30	50	BFEA	in-vitro
N#CCc1ccnc(Cl)c1C(F)(F)F	238563878	KDCBGGREUFUEEE-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
N#CCc1ccc(Br)c(F)c1	35904778	CGDCFGJXTOGEGD-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	in-vitro
C=C(C)CNCc1c[nH]nc1-c1ccc(F)cc1	55393322	QKGFGCBCQUYAGE-UHFFFAOYSA-N	245.301	2.882	30	50	BFEA	
N#Cc1ccccc1OCCCN1CCCCC1	4841030	CVNZGWWICPVBQN-UHFFFAOYSA-N	244.338	2.813	30	50	BFEA	
C#CCSc1nc2c(cc1C#N)CCCC2	11535929	ZADZSWXNBAIIBQ-UHFFFAOYSA-N	228.320	2.557	30	50	BFEA	
C=CCC(C)(C)C(=O)CCC1(C)OCCO1	45071714	RMYWSLHSKZOZKH-UHFFFAOYSA-N	226.316	2.701	30	50	BFEA	
CN(C)/C=N/c1sc2c(c1C#N)CCCC2	100843349	ARSRUQWMZUTUAG-RIYZIHGNSA-N	233.340	2.720	30	50	BFEA	
COc1cc(Br)cc(CC#N)c1	114154251	IVKIDNUBLJFKNF-UHFFFAOYSA-N	226.073	2.524	30	50	BFEA	
C#CCN1CCC(NCC2(C)CCCCC2)CC1	222264702	WPGQBHSIHDWQPO-UHFFFAOYSA-N	248.414	2.644	30	50	BFEA	
CC#CC(=O)N[C@@](C)(Cc1ccccc1)C1CC1	837163881	FGYNLCWZMVRTDD-INIZCTEOSA-N	241.334	2.537	30	50	BFEA	
COc1ccc2cc(C#N)c(Cl)nc2c1	269800	UTLRIOWIEJHVQJ-UHFFFAOYSA-N	218.643	2.768	30	50	BFEA	in-vitro
O=C(C[n+]1cccc(Cl)c1)c1ccccc1	1559950	YZQSGBKNMGHWIK-UHFFFAOYSA-N	232.690	2.510	30	50	BFEA	
CC(C)Cc1cc(-c2ccco2)c(C#N)c(N)n1	19535601	NRWFPAUHGLPWBR-UHFFFAOYSA-N	241.294	2.994	30	50	BFEA	
Cc1cc(C)c(C#N)c(N2C[C@H]3CC[C@H]2C3)n1	245225241	QFWWLKPDRYTAQY-RYUDHWBXSA-N	227.311	2.559	30	50	BFEA	
N#Cc1cnn2ccn(CCCC3CCC3)c12	596275481	RWOXPJCCEWMNLE-UHFFFAOYSA-N	228.299	2.588	30	50	BFEA	
C=CCNCc1cccn1-c1ccccc1	2496690	LKVGKPWWHBUJIQ-UHFFFAOYSA-N	212.296	2.753	30	50	BFEA	
O=C(/C=C/c1ccccc1)c1ccccn1	4091593	UYYLCENCUQKANA-MDZDMXLPSA-N	209.248	2.978	30	50	BFEA	
O=[N+]([O-])c1cccc(NN=C2CCCC2)c1	272493	SREPZCLZMZNQEC-UHFFFAOYSA-N	219.244	2.937	30	50	BFEA	
SCc1ccccc1Br	4244657	UJNSDLRPHRMVGZ-UHFFFAOYSA-N	203.104	2.879	30	50	BFEA	in-vitro
N#Cc1cccnc1NC1CCCCC1	19471674	UCVVPEUOVNJIJP-UHFFFAOYSA-N	201.273	2.698	30	50	BFEA	in-vitro
N#Cc1ccc2c(Br)c[nH]c2c1	84326626	OOSWUPGDEJKIDC-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	in-vitro
C=C1N(C)c2ccc(OC)cc2C1(C)C	111872012	BGXWEEHVMWADRH-UHFFFAOYSA-N	203.285	2.936	30	50	BFEA	
C=C1CN(C(=O)C[C@@H](C)Cc2cccc(F)c2)C1	585127986	OIFLJJHSSAYRMK-NSHDSACASA-N	247.313	2.793	30	50	BFEA	
CC(C)=NOC(=O)Nc1ccc(C)cc1	4583128	AVOUVHZZHZHVDW-UHFFFAOYSA-N	206.245	2.939	30	50	BFEA	
C=CCNC(=O)COc1ccc(C(C)(C)C)cc1	8557465	CZEJWUKTWTZSPI-UHFFFAOYSA-N	247.338	2.665	30	50	BFEA	
N#Cc1ccc(C(=O)c2cccc(F)c2)cc1	85477000	ARIWCURIZIYVQZ-UHFFFAOYSA-N	225.222	2.928	30	50	BFEA	in-vitro
N#Cc1cc(Br)c(F)cc1F	95217916	UXQMPZRISKJUCZ-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
N#Cc1ccc(NC[C@@H]2CCC=CO2)c(F)c1	168279705	IROGKCODSGZJOH-NSHDSACASA-N	232.258	2.802	30	50	BFEA	
Cn1cccc1[C@@H](C#N)c1cccc(F)c1C#N	167319	WNKVQLPPLKLOOG-LBPRGKRZSA-N	239.253	2.691	30	50	BFEA	
C=C(C)CN(CC)Cc1ccc(C(=O)OC)cc1	277062	OPBCCIKQSDQUED-UHFFFAOYSA-N	247.338	2.871	30	50	BFEA	
CC(C)(C)C(=O)Nc1ccc(C#N)nc1Cl	35270474	SJCBNZGJDPGSLH-UHFFFAOYSA-N	237.690	2.591	30	50	BFEA	
CCN(/C=N/C1=NN(c2ccccc2)CC1)CC	103365847	BCRYVRHMKDWFCA-NTCAYCPXSA-N	244.342	2.580	30	50	BFEA	
Cc1ccc(/C=C\C(=O)c2cccnc2)o1	4566988	SDWSJLDBFNOBPU-SREVYHEPSA-N	213.236	2.879	30	50	BFEA	
N#Cc1ccc(CNCc2ccc(C#N)cc2)cc1	34182953	DDJWDGHTAANTCU-UHFFFAOYSA-N	247.301	2.720	30	50	BFEA	
O=C1C=CC(=S2CCCCCC2)C=C1	334157294	QRCUKVHNRQRGGR-UHFFFAOYSA-N	208.326	2.697	30	50	BFEA	
C/C(Cl)=C1\Nc2ccccc2C(=O)N1CC#N	1848352891	QTXDGRXYZBEQMB-FLIBITNWSA-N	247.685	2.506	30	50	BFEA	
CCCSc1nc(C)cc(COC)c1C#N	2464576	UHYSAGFCFKJPQM-UHFFFAOYSA-N	236.340	2.910	30	50	BFEA	
C/C(=N\O)c1ccc(Br)cc1	12362220	AWJKRPKYUKWTJX-UXBLZVDNSA-N	214.062	2.647	30	50	BFEA	
C=C/C(O)=N/C[C@@H]1[C@@H]2Cc3ccccc3[C@@H]12	328597201	FRAQZHPCBWXYLW-OUCADQQQSA-N	213.280	2.715	30	50	BFEA	
N#C[C@H](NC(=O)C1CCCC1)c1ccc(F)cc1	336596423	XXVLQBRFDSOHLB-ZDUSSCGKSA-N	246.285	2.697	30	50	BFEA	
CCCCCCCCCCNCCN	100638283	YZPMGCUOUVFLJC-UHFFFAOYSA-N	200.370	2.675	30	50	BFEA	in-vitro
O/C(Cc1ccc2c[nH]nc2c1)=N/C1CCC1	329418651	GJEYPZHDDIQIRC-UHFFFAOYSA-N	229.283	2.614	30	50	BFEA	
CCOCc1cc(C#N)ccc1Br	114045604	XRJSKTBQQQSECE-UHFFFAOYSA-N	240.100	2.857	30	50	BFEA	
N#Cc1ccc2c(c1)[C@@H]1[C@@H]3C=C[C@@H]3[C@@H]3[C@@H]2[C@@H]31	247655299	OVXKINMQQCFJOD-WUEPUJKGSA-N	205.260	2.801	30	50	BFEA	
Cc1cc(C#N)c(F)cc1Br	26893601	AVBKISZUVMWQIA-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
O/N=C(\Cl)c1ccc(Br)cc1	71774064	ZOPFQZFNZNMZEF-YFHOEESVSA-N	234.480	2.824	30	50	BFEA	
Cc1cc(C)c(C#N)c(N2CCC3(CC3)C2)n1	400413629	VGHITLBCYVKDLT-UHFFFAOYSA-N	227.311	2.560	30	50	BFEA	
COc1ccc(C(=O)c2ccc(C#N)cc2)cc1	2242944	LJZVSJCLGALFPA-UHFFFAOYSA-N	237.258	2.798	30	50	BFEA	in-vitro
CN1CC=C(c2c[nH]c3ccc(C#N)cc23)CC1	12336371	HNOKHIURIJOQKM-UHFFFAOYSA-N	237.306	2.758	30	50	BFEA	
O/N=C1\CCCc2oc3c(c21)CCCC3	12341467	KFUPTLMZTKSXIG-UKTHLTGXSA-N	205.257	2.673	30	50	BFEA	
CC(=C/N(C)C)/C=C1\Nc2ccccc2C1=O	12342747	KICCNSYIUSLTBK-KHGXCJAJSA-N	228.295	2.644	30	50	BFEA	
C[C@@H]1C/C(=C/B2OC(C)(C)C(C)(C)O2)CCO1	307413292	LGYXAKVAXJGLGA-OYVNLZQHSA-N	238.136	2.743	30	50	BFEA	
N#C[C@@H]1CC[C@H](N2CCC(C(F)F)CC2)C1	336023658	CSGWRERPDHEXMB-KOLCDFICSA-N	228.286	2.656	30	50	BFEA	
O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl	240941	UGNWTBMOAKPKBL-UHFFFAOYSA-N	245.876	2.517	30	50	BFEA	biogenic,in-vivo
CCN(Cc1ccccc1C#N)C[C@H]1CCCO1	42337931	WCHYCUQZVDITEC-OAHLLOKOSA-N	244.338	2.559	30	50	BFEA	
N#Cc1ccc(C(=O)c2ccc(F)cc2)cc1	85482208	PGIJLXGFXADEIQ-UHFFFAOYSA-N	225.222	2.928	30	50	BFEA	
C[C@@H](CCn1cccn1)Nc1cccc(C#N)c1	137549111	QRMNMTQRMFYNOJ-LBPRGKRZSA-N	240.310	2.645	30	50	BFEA	
C=CCN(C)C(=O)Nc1ccc(F)cc1C	156169258	LCESOYSPSNXIKT-UHFFFAOYSA-N	222.263	2.784	30	50	BFEA	
Cc1c(C#N)sc(C(N)=O)c1-c1ccccc1	169562	ZTZHNCQVFOLOEO-UHFFFAOYSA-N	242.303	2.694	30	50	BFEA	
O=CCCc1ccc(C(F)(F)F)cc1	36533728	RAJLHYZMTYVILB-UHFFFAOYSA-N	202.175	2.837	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)N1Cc2ccc(C#N)cc2C1	59722720	IXXSRJYZPJRWPB-UHFFFAOYSA-N	244.294	2.809	30	50	BFEA	
CC[C@@]1(CO)CCCN(c2ccc(C#N)cc2)C1	302420728	MXFOPTAUIBIKBI-OAHLLOKOSA-N	244.338	2.547	30	50	BFEA	
C#CC(CC)(CC)NC(=O)Cc1cccc(C)c1	6728718	PUXGFNNKIMKIBK-UHFFFAOYSA-N	243.350	2.846	30	50	BFEA	
CC[C@H](CC#N)OC(=O)c1ccccc1OC	170605101	ORGKNQUOSAETAO-SNVBAGLBSA-N	233.267	2.544	30	50	BFEA	
CC#CC(=O)N[C@](C)(Cc1ccccc1)C1CC1	837163884	FGYNLCWZMVRTDD-MRXNPFEDSA-N	241.334	2.537	30	50	BFEA	
N#Cc1cccc(NC(=O)c2ccccc2F)c1	3603821	FAWNNBNAYWSVGO-UHFFFAOYSA-N	240.237	2.950	30	50	BFEA	
Cc1cc(-c2nc3c(cc2C#N)CCCC3)n[nH]1	534651816	RXKDHJCFGTUUAD-UHFFFAOYSA-N	238.294	2.531	30	50	BFEA	
COc1ccc([C@@H](C#N)C(C)C)cc1OC	82541	NFXAXMOAVPLEBH-NSHDSACASA-N	219.284	2.967	30	50	BFEA	in-vitro
N#Cc1ccc(COC(=O)c2ccco2)cc1	3257273	ZTGQYCVXCCVPBO-UHFFFAOYSA-N	227.219	2.508	30	50	BFEA	
C#CCCCC(=O)Nc1cc(F)cc(F)c1	192047316	XXEPUSVROJVGKR-UHFFFAOYSA-N	223.222	2.707	30	50	BFEA	
O/N=C(/Cc1ccccc1)c1ccc(O)cc1O	5602514	NFBLRMMNCNYUEA-SQFISAMPSA-N	243.262	2.519	30	50	BFEA	
N#Cc1ccc(-c2ccc(C(=O)O)o2)cc1	6863172	QSWFKKSKRNCSDY-UHFFFAOYSA-N	213.192	2.516	30	50	BFEA	
O=C(O)[C@]1(C#Cc2ccccc2)[C@H]2CCCC[C@H]21	828453952	KBBYMOPPZJULCO-FOLVSLTJSA-N	240.302	2.929	30	50	BFEA	
CN(C)/C=C/C(=O)c1ccc(C(F)(F)F)cc1	142375	AHNAAWZIFOCBDY-BQYQJAHWSA-N	243.228	2.963	30	50	BFEA	in-vitro
N#Cc1ccc(C(F)(F)F)nc1Cl	154427	CDSFASYGONAHHN-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	in-vitro
N#CCCn1nc(-c2cccs2)oc1=S	4109985	ZNNLRWNWDYIAFN-UHFFFAOYSA-N	237.309	2.848	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC(CCC#N)CC1	117065623	USHKLYFOHPHRRX-UHFFFAOYSA-N	238.331	2.937	30	50	BFEA	
N#Cc1cccc(NC(=O)N[C@H]2CC[C@H](F)C2)c1	336353175	RQSDAQWAOKDNKX-JQWIXIFHSA-N	247.273	2.570	30	50	BFEA	
N#Cc1cc(F)ccc1N1CCC2(CC2)C1	400443113	JSWCUYILJSNARK-UHFFFAOYSA-N	216.259	2.688	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)NOCc1cccc(C)n1	585129091	XOQCJNSTDQCKAC-NSHDSACASA-N	248.326	2.540	30	50	BFEA	
CC(=O)c1cc(Br)c(C#N)s1	1857780993	CKVQXGUFLUZKIS-UHFFFAOYSA-N	230.086	2.585	30	50	BFEA	
Cc1cc(SCc2ccccc2C#N)ncn1	11903003	WMICZURWYLVUAO-UHFFFAOYSA-N	241.319	2.949	30	50	BFEA	
O=C1Nc2ccccc2/C1=C1\CCCC\C1=N/O	13131043	WSYJFGSXLXNZIL-USNKLODOSA-N	242.278	2.797	30	50	BFEA	
N#C[C@@H]1CCCCN1C(=O)OCc1ccccc1	16697515	NENRYYPPHIHDHC-ZDUSSCGKSA-N	244.294	2.701	30	50	BFEA	
N#Cc1c[nH]c2cc(Br)ccc12	30677707	PUBXTAVHPDZLBK-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	
CC[C@H](/N=C(O)/C=C/C(=O)O)c1ccccc1	82068100	BAEZIAZBAGGVTC-FBOQAHMBSA-N	233.267	2.735	30	50	BFEA	
N#Cc1ccnc(OCc2ccccc2)c1	19423491	KYMIUUVPYRKLMC-UHFFFAOYSA-N	210.236	2.532	30	50	BFEA	in-vitro
C=CCn1c(-c2ccoc2C)n[nH]c1=S	6556462	DSXUGTKLONYCDV-UHFFFAOYSA-N	221.285	2.695	30	50	BFEA	in-vitro
CC(C)/C=C1\CCCC\C1=N/n1cnnc1	18037371	OUOBOPWKEASDDT-XLMIDGIWSA-N	218.304	2.639	30	50	BFEA	
C#CCCOC(=O)Cc1cccc(C)c1Cl	225411359	TVRRGOPVPZSOLM-UHFFFAOYSA-N	236.698	2.757	30	50	BFEA	
Clc1ccc2ncc(OC[C@H]3CO3)cc2c1	1875379807	XJVUQZBWHYPKNI-NSHDSACASA-N	235.670	2.666	30	50	BFEA	
N#Cc1c(N)c(Br)cc(Cl)c1F	15443831	QDBMUGJYCLTPIJ-UHFFFAOYSA-N	249.470	2.695	30	50	BFEA	
C=C(C)C[C@@]1(C(=O)OCC)CC[C@H](C)C1=O	43214837	CVFLYWFEPUYRBH-GWCFXTLKSA-N	224.300	2.501	30	50	BFEA	
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CC=O)CC1	100007037	OPGBSEXLSWYFOR-XYPYZODXSA-N	241.331	2.659	30	50	BFEA	in-vitro
C[C@@H](CC#N)Nc1nc2cc(F)ccc2o1	114448947	NVTGRAQVGWDREQ-ZETCQYMHSA-N	219.219	2.681	30	50	BFEA	
C[C@@H]1C[C@H]1C(=O)[C@H](C#N)c1nc2ccccc2o1	248768706	PGOBRJSVWLNFAQ-BBBLOLIVSA-N	240.262	2.660	30	50	BFEA	
C=C1CCN(CC[C@H]2CCCCN2C)CC1	253418849	BBYZCFSLSJAGAR-CQSZACIVSA-N	222.376	2.513	30	50	BFEA	
C=CCN(Cc1ccc(C)cc1)C(=O)[C@H](C)OC	1506420994	RXKWEPPVSDDWCI-ZDUSSCGKSA-N	247.338	2.545	30	50	BFEA	
C=CC(=O)N(c1cccc(C#N)c1)C1CCC1	1875366651	JZICPYSDHKJFSN-UHFFFAOYSA-N	226.279	2.630	30	50	BFEA	
N#Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	167674	KBNUZLPQQMVGPR-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	in-vitro
O=C1C=C2CC[C@@H]3CCCC[C@@]2(CC1)C3=O	71786427	ALNFUAKGWWGQIU-HZMBPMFUSA-N	218.296	2.815	30	50	BFEA	
C[C@@H]1CC(CCn2cnc(C#N)n2)C[C@@H](C)C1	120885834	BIVBWJBVWBKXSQ-QWRGUYRKSA-N	232.331	2.612	30	50	BFEA	
Cc1nnc(C)n1/N=C/C1=CC[C@H]2C[C@H]1C2(C)C	253416183	PUMZRYRZWAPKRH-BKHJPCMFSA-N	244.342	2.721	30	50	BFEA	
O/C(C[C@H]1C[C@H]2CC[C@H]1C2)=N/[C@H]1CC[C@@H](O)C1	328591944	GOMYMUBHUULMRM-IEECTRCBSA-N	237.343	2.683	30	50	BFEA	
C=CCN(CC=C)C(=O)Nc1ccccc1OC	396424	UHJKOWCRVNRFLS-UHFFFAOYSA-N	246.310	2.901	30	50	BFEA	
Cc1noc(C)c1COc1cccc(C#N)c1	5429433	YJRJXELEUXGHPN-UHFFFAOYSA-N	228.251	2.742	30	50	BFEA	in-vitro
O/N=C(C(=N\O)\c1ccccc1)/c1ccccc1	100012872	JJZONEUCDUQVGR-VCFJNTAESA-N	240.262	2.743	30	50	BFEA	
C[C@H]1CC(B2OC(C)(C)C(C)(C)O2)=C[C@@H](C)O1	214793227	DBRPBBDCXSNINM-ZJUUUORDSA-N	238.136	2.742	30	50	BFEA	in-vitro
C/C=C/C(=O)N(CC#Cc1ccccc1)CCC	534632989	RKIURMBEQKPLOO-YCRREMRBSA-N	241.334	2.853	30	50	BFEA	
C=CCN1N=C(/C=C/c2ccccc2)CCC1=O	1383557	PDPWYHQARMDUBQ-CMDGGOBGSA-N	240.306	2.864	30	50	BFEA	
O=C1/C(=N/O)c2ccccc2Cc2ccccc21	101922216	PJGUNCPCMWXDKA-JQIJEIRASA-N	237.258	2.652	30	50	BFEA	
CCC[C@]1(C(=O)OCC)OC1(CC)CC	211945892	OWCIRNVYIVXMCJ-GFCCVEGCSA-N	214.305	2.677	30	50	BFEA	
N#Cc1cccc2cc(Br)cnc12	260361986	DJRGZESCZUUQOT-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
C=CCNCc1cc(OC)c(OC)cc1Cl	4867702	FFQXNNLWSIRTBU-UHFFFAOYSA-N	241.718	2.633	30	50	BFEA	
C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1	6248256	APLJWVBOLYEGMA-SNVBAGLBSA-N	245.282	2.703	30	50	BFEA	
C=C(C(=O)O)[C@H]1CC[C@H](C)[C@@H]2CC(=O)C(C)=C2C1	14619487	ZFHSKBJBODQVBX-UWJYBYFXSA-N	248.322	2.969	30	50	BFEA	
CC(=O)/C=C/[C@@H]1C(C)(C)CC[C@@H]2O[C@@]21C	100002845	ODMUHAHUBCUABS-AJKHXVQNSA-N	208.301	2.725	30	50	BFEA	in-vitro
CCCCCOS(=O)(=O)OCCCCC	100019694	GAFRWLVTHPVQGK-UHFFFAOYSA-N	238.349	2.645	30	50	BFEA	in-vitro
C=C(C)C1(O)[C@H]2CC[C@H]1c1ccccc12	101037482	LXEQMQYXEKHOJG-STQMWFEESA-N	200.281	2.968	30	50	BFEA	
CC(C)SCCN1CCC[C@@](C)(C#N)C1	619781274	JGKUOFPXRXGVSX-LBPRGKRZSA-N	226.389	2.754	30	50	BFEA	
CSC(=S)N/N=C/c1cc2ccccc2[nH]1	824870956	MKFBRLVYUHHHDM-KPKJPENVSA-N	249.364	2.739	30	50	BFEA	
C=C(C)CN(CC)Cc1ccccc1O	277570	SZXPPOKZNFWDST-UHFFFAOYSA-N	205.301	2.790	30	50	BFEA	
C=CCC(CC=C)(C(N)=O)c1ccccc1	615830	OLTOLZPJXXAQOK-UHFFFAOYSA-N	215.296	2.562	30	50	BFEA	
CC1=C(/C(C)=N\O)/C(=N\O)[C@@H]2CCCC[C@@H]2O1	4764984	FOEWKBVMWHWBLO-LYXVGZLJSA-N	238.287	2.530	30	50	BFEA	
COc1cccc(F)c1-c1ccc(C#N)nc1	67541477	MLEGTEIDBNYKDT-UHFFFAOYSA-N	228.226	2.768	30	50	BFEA	
C=C(B1OC(C)(C)C(C)(C)O1)C1CCOCC1	222955824	XLAJGUYZHNFJKT-UHFFFAOYSA-N	238.136	2.601	30	50	BFEA	
C[C@@](C#N)(Nc1ccccc1)c1cccnc1	163538	HQAJLDUHPSSFDV-AWEZNQCLSA-N	223.279	2.932	30	50	BFEA	
CCC(=O)Nc1sc2c(c1C#N)CCCC2	322143	CIQULTXYCPXNMG-UHFFFAOYSA-N	234.324	2.847	30	50	BFEA	
C=C[C@@H](C)OC(=O)c1cnc2onc(CC)c2c1	187633039	SAVOPTIYKASDBX-MRVPVSSYSA-N	246.266	2.517	30	50	BFEA	
C[C@@H](C=O)c1cccc(OC(F)(F)F)c1	238381992	GISZGUTXHMXCHV-ZETCQYMHSA-N	218.174	2.888	30	50	BFEA	
CC(C)Oc1ccc([C@@]2(C)O[C@@H]2C#N)cc1	309512189	UZYGFDCGAOBDOX-CHWSQXEVSA-N	217.268	2.611	30	50	BFEA	
N#Cc1cn(-c2ccccc2)nc1-c1ccncc1	619062	BQNJWLJUPACWPX-UHFFFAOYSA-N	246.273	2.806	30	50	BFEA	
CCOC(=O)/C(C)=N/Nc1ccc(Cl)cc1	16969545	TZUIRWBUCNJLAC-MDWZMJQESA-N	240.690	2.691	30	50	BFEA	biogenic
Cc1cc(Cl)nc(C#N)c1Br	115015704	AWDWVENUBWLRAV-UHFFFAOYSA-N	231.480	2.678	30	50	BFEA	
N#Cc1ccc(OCc2ccc(C=O)o2)cc1	2576721	OPICANRJCDTIIB-UHFFFAOYSA-N	227.219	2.543	30	50	BFEA	
C=C(C)[C@@H]1CC=C(CN2CCOCC2)CC1	23281335	LKTHUGNSRDBLRF-CQSZACIVSA-N	221.344	2.621	30	50	BFEA	
COc1cc(F)ccc1-c1cc(C#N)ccn1	65528960	SKYFYZMFMQNBMZ-UHFFFAOYSA-N	228.226	2.768	30	50	BFEA	
C/C(=N/O)c1cccc(Br)c1	100067371	TUEQLTCSWQPJIV-POHAHGRESA-N	214.062	2.647	30	50	BFEA	
CC1(C)OB(C2=CC[C@@H](C#N)CC2)OC1(C)C	169808826	DHWWMTKTHOKXPV-SNVBAGLBSA-N	233.120	2.868	30	50	BFEA	in-vitro
C[C@]1(c2ccc(C(F)(F)F)cc2)O[C@@H]1C#N	380467843	CMUYFLRPISUCQZ-NXEZZACHSA-N	227.185	2.843	30	50	BFEA	
CCOC1=C(Cl)C(=O)c2ccccc2C1=O	21238	YLULGOCHLLLHOM-UHFFFAOYSA-N	236.654	2.553	30	50	BFEA	
Cc1c(Br)cccc1CC#N	149203433	VBNCKBSHNGLORC-UHFFFAOYSA-N	210.074	2.824	30	50	BFEA	
COC(=O)c1ccc(C(=O)/C=C/C(C)C)cc1	585145542	RGOIVUHJZBNLPV-RUDMXATFSA-N	232.279	2.868	30	50	BFEA	
Cc1c(C(=O)/C=C/c2ccc(F)cc2)cnn1C	6527526	ZLKCOCFXFMDYQB-VMPITWQZSA-N	244.269	2.764	30	50	BFEA	
c1ccc2c(c1)[C@H]1[C@@H]3[C@@H]4[C@H]3[C@H]3[C@]15C[C@@H]1O[C@@H]1C[C@]35[C@@H]24	254301517	QOAVIKPCPRLNQD-WCBRGGTPSA-N	248.325	2.921	30	50	BFEA	
C=CCN(CC=C)C(=O)c1ccccc1	29214	WJUWKNWIOVQEEI-UHFFFAOYSA-N	201.269	2.501	30	50	BFEA	
N#Cc1ccc(Br)cc1Cl	2390020	AYQBMZNSJPVADT-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
C#CCSc1nc(C)c2cc(C)ccc2n1	2486959	NYOBKDLNJZGXDI-UHFFFAOYSA-N	228.320	2.972	30	50	BFEA	
C=C(C)[C@@H]1CC=C(CN2CCC[C@H](CO)C2)CC1	4022279	QQVARLSXVZRUCB-JKSUJKDBSA-N	249.398	2.993	30	50	BFEA	
O/N=C(\c1ccccc1)[C@H](O)c1ccccc1	4579188	WAKHLWOJMHVUJC-SXWSKBOKSA-N	227.263	2.599	30	50	BFEA	in-vitro
N#CCOc1ccnc2ccc(Cl)cc12	40227512	SJUSFJRXADDZIV-UHFFFAOYSA-N	218.643	2.791	30	50	BFEA	
CC[C@@H](CSC)Nc1ccc(C#N)nc1	135521332	IUWKUXYXIXIGCY-VIFPVBQESA-N	221.329	2.507	30	50	BFEA	
COC(=O)[C@]1(C)O[C@]12C[C@H](C)CC(C)(C)C2	252157890	PKPFVDFQTSVDKN-ICCXJUOJSA-N	226.316	2.533	30	50	BFEA	
CC1(C)C[C@@]1(C#Cc1ccccc1)C(=O)O	255861	PUQSZRKIOJBRFJ-AWEZNQCLSA-N	214.264	2.539	30	50	BFEA	
O=C1C=CC(=O)c2cc3ccccc3cc21	1686135	LSOTZYUVGZKSHR-UHFFFAOYSA-N	208.216	2.775	30	50	BFEA	biogenic,in-vitro
CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(O)n1	4023716	QVFWPGJSZRZLAM-UHFFFAOYSA-N	244.216	2.975	30	50	BFEA	
C=C(C)C[C@@]1(C(=O)OCC)CC[C@@H](C)C1=O	71786935	CVFLYWFEPUYRBH-MFKMUULPSA-N	224.300	2.501	30	50	BFEA	
CC(C)OC(=O)c1ccc(OC(C)C)c(C#N)c1	114869988	PXOPMWGRVJKKHM-UHFFFAOYSA-N	247.294	2.911	30	50	BFEA	
N#CCc1cc(Cl)nc(C(F)(F)F)c1	238566633	KRXBHNNIFQAPAC-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
C=C[C@@]12CC[C@@H](C1)C(C)(C)[C@H](O)[C@@]21CCCO1	257357999	REYAQYKDCFRZMF-VIRABCJISA-N	236.355	2.909	30	50	BFEA	
CC1(C)OB([C@@H]2C[C@H]2C2CC2)OC1(C)C	223927498	MFOCKZYRZAVWDO-VHSXEESVSA-N	208.110	2.879	30	50	BFEA	
C=CC(=O)N[C@H](C(=C)C)c1ccc(F)c(F)c1	1120461880	MRPWKTFHTKLABF-CYBMUJFWSA-N	237.249	2.884	30	50	BFEA	
C(=N/c1cccc2cn[nH]c12)\N1CCCCC1	102194143	GPBDJYIIBJGUPY-GXDHUFHOSA-N	228.299	2.709	30	50	BFEA	
N#Cc1sccc1-c1ccc(N)cc1	259902404	POUABRGUJRFAAD-UHFFFAOYSA-N	200.266	2.869	30	50	BFEA	
COC(=O)c1cc(C(C)C)nc(Cl)c1C#N	263584728	NIVDEVNOPIRNDW-UHFFFAOYSA-N	238.674	2.517	30	50	BFEA	
C=CCN(CC=C)C(=O)c1ccccc1F	29726	ANARBISQGPPAPZ-UHFFFAOYSA-N	219.259	2.640	30	50	BFEA	
COc1ccc(NC2=CC(=O)CCC2)cc1	284173	OMJNZLJMPGAMBL-UHFFFAOYSA-N	217.268	2.744	30	50	BFEA	biogenic
C[C@@H]1CCCN(Cc2ccccc2C#N)C1	19486799	ADCDOTBFTGQZRP-GFCCVEGCSA-N	214.312	2.790	30	50	BFEA	
CCCCC/C(=N\NC(=N)N)c1cccc(C)c1	4760425	FDCHEAXFRRSNLV-GHRIWEEISA-N	246.358	2.762	30	50	BFEA	
C=C1C(=C(C)C)C(=O)N[C@@H]1c1ccccc1	45027803	BWNPLPNQEILIQO-ZDUSSCGKSA-N	213.280	2.750	30	50	BFEA	
N#C[C@H](Sc1cccc(O)c1)C1CC1	585119175	VGYHWLQZVXCJGL-NSHDSACASA-N	205.282	2.786	30	50	BFEA	
N#Cc1ccc(N)c(-c2ccsc2)c1	642886326	CDGYQXCCUPIWLQ-UHFFFAOYSA-N	200.266	2.869	30	50	BFEA	
C[C@](O)(c1ccccc1)c1ccc(C#N)cc1	400045	VYNZCOZPJMGVIF-HNNXBMFYSA-N	223.275	2.814	30	50	BFEA	
CC(C)(C)N(O)C[C@@H](C#N)c1ccccc1	405053	IBMYLULUARDVBI-GFCCVEGCSA-N	218.300	2.783	30	50	BFEA	
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O	1531790	QZPQTZZNNJUOLS-UHFFFAOYSA-N	242.274	2.752	30	50	BFEA	biogenic,investigational
Cc1ccc(/C=N/Nc2ccccn2)cc1	4981735	XWLQKHPZFLSJLT-XNTDXEJSSA-N	211.268	2.836	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C#N	71788989	MYXLXKKWRQMPOP-JTQLQIEISA-N	236.315	2.547	30	50	BFEA	in-vitro
Oc1cccc(/C=N/c2ccc(F)cc2)c1O	294340	JYBJIURXQOHXLI-OVCLIPMQSA-N	231.226	2.988	30	50	BFEA	
CC(C)C[C@]1(c2ccccc2)O[C@H]1C#N	307229781	ADFVQCWJAYKEKM-QWHCGFSZSA-N	201.269	2.850	30	50	BFEA	
Cc1cccnc1/N=C/c1ccccc1O	13208099	PRFAPZNNQURZKR-OQLLNIDSSA-N	212.252	2.846	30	50	BFEA	
C=C(C)CNC(=O)C1CCC(F)(F)CC1	153434662	VYXNOORTQOBHGE-UHFFFAOYSA-N	217.259	2.504	30	50	BFEA	
N#C[C@]12O[C@]1(Cl)CCCC2(Cl)Cl	494866	VXCVLHHMGCTERU-IYSWYEEDSA-N	226.490	2.572	30	50	BFEA	
Cc1ccc[n+]([C@@H](C)C(=O)c2ccccc2)c1	1955965	SIOSLSBEKQQGLM-ZDUSSCGKSA-N	226.299	2.726	30	50	BFEA	
COc1ccc(OC)c2c1[C@H]1CC[C@H]2[C@@]2(C)O[C@H]12	101047716	DGWBAYBQBBTILR-FVCGPZGOSA-N	246.306	2.836	30	50	BFEA	
O=C1C=C(Nc2ccc([N+](=O)[O-])cc2)CCC1	4235216	IYOUHCZLVXEMML-UHFFFAOYSA-N	232.239	2.644	30	50	BFEA	biogenic
Nc1ccc(/C=C\C(=O)c2cccnc2)cc1	4531828	XXDJKXSGPCIFKA-YVMONPNESA-N	224.263	2.560	30	50	BFEA	
N#C[C@@H](c1ccccc1)N1CCCCC1	19419103	IXQJQHORYHYKBD-ZDUSSCGKSA-N	200.285	2.737	30	50	BFEA	
Cn1ccc2c(-c3ncccc3C#N)ccnc21	77358047	JNFSXMCGSJMUFE-UHFFFAOYSA-N	234.262	2.507	30	50	BFEA	
C[C@@](O)(c1ccccc1)c1ccc(C#N)cc1	400044	VYNZCOZPJMGVIF-OAHLLOKOSA-N	223.275	2.814	30	50	BFEA	
O=C(O)CC12C[C@H]3C[C@@H](CC(S)(C3)C1)C2	100493664	CHSPPLSPXOFYII-WWAQEKKBSA-N	226.341	2.730	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)NOc1ccc(F)cc1	585127360	YJBNOIVYCJMOPM-JTQLQIEISA-N	237.274	2.838	30	50	BFEA	
C=CCN(CC=C)C(=O)c1ccc(OC)cc1	29240	JLJXRKIYQXUAAL-UHFFFAOYSA-N	231.295	2.509	30	50	BFEA	
CCCCCCCC(=O)N[C@@H]1CCCC[C@@H]1O	2573394	WYTIAVOLLZDODA-OLZOCXBDSA-N	241.375	2.767	30	50	BFEA	
C/C(O)=N/c1nc(SCc2ccccc2)n[nH]1	9926588	LXENCKAYEWZLFJ-UHFFFAOYSA-N	248.311	2.705	30	50	BFEA	
C=CCCCN(C)C(=O)C[C@@H](N)c1ccccc1	158160314	VWNNOCWFLRZPKO-CQSZACIVSA-N	246.354	2.501	30	50	BFEA	
C=C[C@H](C)OC(=O)c1occc1Br	187509989	MIEAYRVEZFRJNN-LURJTMIESA-N	245.072	2.773	30	50	BFEA	
Cc1nc(CN2CCC(C)(C#N)CC2)sc1C	227352705	IDKROOYJDAQHPB-UHFFFAOYSA-N	249.383	2.886	30	50	BFEA	
CCN1C=CC=C/C1=C\C=C1C=CC(=O)C=C1	334157228	XJEYJUGDHHMEKL-NTEUORMPSA-N	225.291	2.897	30	50	BFEA	
N#CCOc1cccc(C(F)(F)F)c1	2169314	UGZFDPFADQHEMW-UHFFFAOYSA-N	201.147	2.608	30	50	BFEA	
O=C(O)CCC(F)(F)C(F)(F)C(F)(F)F	2555199	ISFKSWMQWIRDNC-UHFFFAOYSA-N	242.090	2.684	30	50	BFEA	biogenic,in-vitro
C=CCNC(=O)c1ccc(OCCCC)cc1	2879886	OVOZCPKQQSVOBY-UHFFFAOYSA-N	233.311	2.781	30	50	BFEA	
CC[C@H]1CS/C(=N\c2ccccc2)N1	12417642	LOPXTRMPYUWBFN-VIFPVBQESA-N	206.314	2.789	30	50	BFEA	in-vitro
CCN[C@@]1(c2ccccc2C)CCC=CC1=O	96027563	MRWNPZGMIRZVNE-OAHLLOKOSA-N	229.323	2.719	30	50	BFEA	
N#CCC(=N)Nc1sc2c(c1C#N)CCCC2	3685007	MAMGCGORUUCPQY-UHFFFAOYSA-N	244.323	2.801	30	50	BFEA	
C=C/C(O)=N/Cc1cc2c(cc1OC)C[C@H](C)O2	328594278	OXJWVSJTIDHARA-VIFPVBQESA-N	247.294	2.661	30	50	BFEA	
CC(C)(C)C#CB1OC(C)(C)C(C)(C)O1	169794318	OHUIXIILHRVORA-UHFFFAOYSA-N	208.110	2.667	30	50	BFEA	in-vitro
CC1(C)[C@@H]2C=C(C[C@@H](O)[C@@H]3CO3)[C@@]1(C)CC2	216509698	LQAFXQTYXRNOOU-WSXWTOPLSA-N	222.328	2.519	30	50	BFEA	
N#C[C@@H]1CC[C@H](NCc2cccc(F)c2)C1	335620243	YANVRKGFGVMFNW-MFKMUULPSA-N	218.275	2.608	30	50	BFEA	
N#CCc1nc(-c2ccccc2)cs1	88487	SOFCSIBVJROWGI-UHFFFAOYSA-N	200.266	2.876	30	50	BFEA	in-vitro
N#CC(C#N)=NNc1ccc(Cl)c(Cl)c1	5427363	GTVGGHQLKNCAMB-UHFFFAOYSA-N	239.065	2.808	30	50	BFEA	
CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C#N)CC1	144869038	KOFJDBKWKCOOLP-XYPYZODXSA-N	238.331	2.841	30	50	BFEA	
CCC[C@]1(C)O[C@]1(CCC)C(=O)OCC	211892629	DCUSFYHIRJFPOG-NWDGAFQWSA-N	214.305	2.677	30	50	BFEA	
C=C(C)CN[C@@H](c1cccnc1)C1CCOCC1	253432440	KJJHICBJFUPMES-OAHLLOKOSA-N	246.354	2.715	30	50	BFEA	
Cc1cc(C(=O)Nc2ccc(CC#N)cc2)c[nH]1	1875341201	KPICPDIRNSYSIU-UHFFFAOYSA-N	239.278	2.642	30	50	BFEA	
C=C(C)[C@@H]1CC=C(CN2CCN(C)CC2)CC1	22586671	XSAHZPXCUZAEIA-OAHLLOKOSA-N	234.387	2.536	30	50	BFEA	
c1ccc2cc(OC[C@H]3CO3)ccc2c1	134031	BKYSFVJCBRHGMA-ZDUSSCGKSA-N	200.237	2.617	30	50	BFEA	in-vitro
CCCCCCCCC[n+]1cccc(C(N)=O)c1	1726159	HTNLHKMRPSLNJI-UHFFFAOYSA-O	249.378	2.824	30	50	BFEA	
Cc1ccc2n(c1)cc(-c1ccc(C#N)cc1)[n+]2C	12341495	LLFJMYPEIHXMAM-UHFFFAOYSA-N	248.309	2.611	30	50	BFEA	
Cc1cc(/C=N/O)c(C)n1-c1ccccc1	100102065	IDSZHOJRUWOQHG-NTEUORMPSA-N	214.268	2.902	30	50	BFEA	
CC(C)(C)NCCC(=O)C1=CCCCC1	3682851	KRSRASHNAORYMB-UHFFFAOYSA-N	209.333	2.834	30	50	BFEA	
N#Cc1ccc(C(O)c2ccc(C#N)cc2)cc1	21985090	JNJWXPZHWUOYRZ-UHFFFAOYSA-N	234.258	2.512	30	50	BFEA	world
CC(C)(C#N)c1cccc(Br)n1	167625990	QBASSRFWCWKBLN-UHFFFAOYSA-N	225.089	2.645	30	50	BFEA	
C=CCNC(=O)c1ccc(C(C)(C)C)cc1	2572314	GTLXSPCXLGSZOV-UHFFFAOYSA-N	217.312	2.900	30	50	BFEA	
CCOc1ccc(C#N)cc1Br	2886864	POVUENZMXWGMMC-UHFFFAOYSA-N	226.073	2.719	30	50	BFEA	
C=C(CC(=O)OCCCCCCCC)C(=O)O	78825308	KBASUIDPDITQHT-UHFFFAOYSA-N	242.315	2.921	30	50	BFEA	
CC1=C(/C(O)=N/[C@H](C)c2cn[nH]c2)CCC1	328866305	NTRABZBBYYYSNZ-SECBINFHSA-N	219.288	2.928	30	50	BFEA	
C=C(C)CSc1nc2ccccc2c(=O)n1C	4810764	RVIXZXIPVVOLML-UHFFFAOYSA-N	246.335	2.602	30	50	BFEA	
C=C1CCN(C(=O)OC(C)(C)C)C[C@H]1F	66339564	FHMOJENFEWBNDZ-SECBINFHSA-N	215.268	2.522	30	50	BFEA	in-vitro
C=CCC1(CC=C)CCCN1C(=O)c1ncc[nH]1	67688750	GRRYCSQPZXPSRM-UHFFFAOYSA-N	245.326	2.537	30	50	BFEA	
N#Cc1c(-c2ccccc2)nc2n1CCS2	109320	IZQIKDXGZAUCPH-UHFFFAOYSA-N	227.292	2.527	30	50	BFEA	
C=CCc1cc(CNC)cc(OC)c1OCC	13731195	DOBLICOARSRXRC-UHFFFAOYSA-N	235.327	2.542	30	50	BFEA	
COc1cccc(OC)c1-c1ncccc1C#N	19741894	SHYPKUHGPFHIQY-UHFFFAOYSA-N	240.262	2.637	30	50	BFEA	
C[C@@]1(c2ccc(C(F)(F)F)cc2)O[C@@H]1C#N	380467853	CMUYFLRPISUCQZ-ZJUUUORDSA-N	227.185	2.843	30	50	BFEA	
Cc1cc(C(F)F)[nH]c(=S)c1C#N	373381	RQXKKFTWZSTHHQ-UHFFFAOYSA-N	200.213	2.862	30	50	BFEA	
F[C@H]1[C@H](F)C(F)(F)C(F)(F)C1(F)F	95676666	QVEJLBREDQLBKB-LWMBPPNESA-N	214.055	2.582	30	50	BFEA	in-vitro
Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1	196603587	RCCYMBKXLWUXTG-UHFFFAOYSA-N	232.132	2.603	30	50	BFEA	
N#CCC[C@@H]1CCC[C@H](CCC#N)C1=O	2162345	AWHFKTMJYGMAKQ-PHIMTYICSA-N	204.273	2.579	30	50	BFEA	in-vitro
Cc1ccc(C)c(C[S@](=O)CCCC#N)c1	123473243	PSZNDJSBKAXTCS-INIZCTEOSA-N	235.352	2.856	30	50	BFEA	
N#CCc1ccc(C(F)(F)F)nc1Cl	238570520	SKQWEHMDRWALNK-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
CCc1cc(B2OC(C)(C)C(C)(C)O2)cs1	306490513	MXXQMXIFGBDGMH-UHFFFAOYSA-N	238.161	2.610	30	50	BFEA	
N#Cc1c(-c2ccccc2)csc1N	3032833	RMSVWOYCWFNSCM-UHFFFAOYSA-N	200.266	2.869	30	50	BFEA	in-vitro
CCC(C)(C)C(=O)N(O)Cc1ccccc1	616570725	AVYVHIKSFXVDBG-UHFFFAOYSA-N	221.300	2.841	30	50	BFEA	in-vitro
CCOc1cccc(/C=N/c2ccccn2)c1O	438592	YYZODCUIDXEDDU-MHWRWJLKSA-N	242.278	2.937	30	50	BFEA	
CCN(CC)CC#CC[C@H](C)OC(C)(C)C	3684413	UAYMTKPMDNHKJH-ZDUSSCGKSA-N	225.376	2.925	30	50	BFEA	
Cc1cccnc1/C=C\C(=O)c1ccncc1	4531833	RBOHAEPGSUAHFA-PLNGDYQASA-N	224.263	2.681	30	50	BFEA	
Cc1cc(F)c(Br)cc1C#N	258167767	YLVXOFLZONNIQK-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	
CC1(C)OC(C)(C)c2c1sc(N)c2C#N	269432	MOKRFKOKZIASDJ-UHFFFAOYSA-N	222.313	2.702	30	50	BFEA	in-vitro
O=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	2527750	ILSWGKFIWBVLDG-UHFFFAOYSA-N	248.044	2.654	30	50	BFEA	
CN(C)c1oc(/C=C/c2cccs2)nc1C#N	4856986	YJHQTLNJWKIQAP-AATRIKPKSA-N	245.307	2.844	30	50	BFEA	
CC(C)CCCCCOC(=O)CS	5188332	RZBBHEJLECUBJT-UHFFFAOYSA-N	204.335	2.676	30	50	BFEA	
O/N=C1\CCC[C@H]1C[C@@H]1CCC/C1=N\O	5282947	JUXFUPRYYBKRHQ-LLDRZWJASA-N	210.277	2.637	30	50	BFEA	
N#CCc1ccc2ccc(CC#N)cc2c1	43214932	FRRJLWRPGVLKGK-UHFFFAOYSA-N	206.248	2.972	30	50	BFEA	
C[C@H]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1	158416454	BRMBAEWOTOQCEY-GXFFZTMASA-N	243.310	2.868	30	50	BFEA	
Cc1ccncc1-c1ccc(OC[C@@H]2CO2)cc1	1857780904	ZRDOLWRTEPBSQH-CQSZACIVSA-N	241.290	2.835	30	50	BFEA	
N#Cc1cccc(NCCCC[C@@H]2CCCO2)n1	826791909	JUYHHYNQCXLOFG-CYBMUJFWSA-N	245.326	2.714	30	50	BFEA	
C#CC1CCC(NCc2scnc2C)CC1	888098329	HZIRGGYSIKPCIQ-UHFFFAOYSA-N	234.368	2.733	30	50	BFEA	
O=C(/C=C/c1ccc(O)cc1)C1(O)CCCCC1	111127	ZPQWVZVNZNUXFA-RMKNXTFCSA-N	246.306	2.670	30	50	BFEA	
CC(C)Sc1nc2sccn2c1C#N	1393390	BDAUXGQUQAMIDB-UHFFFAOYSA-N	223.326	2.768	30	50	BFEA	
N#Cc1ccc(F)c(C(F)(F)F)c1F	94986198	FEAFTLMBXARNRM-UHFFFAOYSA-N	207.101	2.855	30	50	BFEA	in-vitro
Oc1ccccc1N=Cc1ccc2c(c1)OCO2	254814204	BQRPHDGQSWTHRV-UHFFFAOYSA-N	241.246	2.872	30	50	BFEA	
C=CCCC(=O)N1Cc2cccc(F)c2C1	335133356	NMFNRDLQYJLWNX-UHFFFAOYSA-N	219.259	2.634	30	50	BFEA	
c1csc(Oc2ccc(OC[C@H]3CO3)cc2)n1	1875378873	KRFWQIQUPUKZGD-NSHDSACASA-N	249.291	2.713	30	50	BFEA	
N#Cc1ccc(COC(=O)c2ccccc2)cc1	3525305	NLLRGSOJQLUKFM-UHFFFAOYSA-N	237.258	2.915	30	50	BFEA	
Cc1ccc(/C=C/C(=O)c2cnn(C)c2)s1	6788903	SWXOJNCJYOTXKX-AATRIKPKSA-N	232.308	2.686	30	50	BFEA	
N#Cc1ccccc1-c1ccc(C(=O)O)cc1	16947558	MZIFVOLYXURHDM-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	in-vitro
C#CCCCOC(=O)c1cccc2[nH]ccc12	766880872	NQYUAGJNDJLTLZ-UHFFFAOYSA-N	227.263	2.738	30	50	BFEA	
CC1(C)CC(=O)C[C@H]1B1OC(C)(C)C(C)(C)O1	1857787422	PJKFGEJUBYEDQU-SNVBAGLBSA-N	238.136	2.838	30	50	BFEA	
C#CC1(O)c2ccccc2-c2ccccc21	1081526	MMZVVJGCZZAWBN-UHFFFAOYSA-N	206.244	2.536	30	50	BFEA	biogenic,in-vitro
c1ccc2c(OC[C@@H]3CO3)cccc2c1	2169433	QYYCPWLLBSSFBW-NSHDSACASA-N	200.237	2.617	30	50	BFEA	in-vitro
CC1(C)OB(c2ccc(Cl)cc2)OC1(C)C	169743569	NYARTXMDWRAVIX-UHFFFAOYSA-N	238.523	2.639	30	50	BFEA	in-vitro
c1ccc(-c2cccc(OC[C@H]3CO3)c2)nc1	1875379199	OECIVJSFTXJUBK-ZDUSSCGKSA-N	227.263	2.526	30	50	BFEA	
COc1ccc(/C=C/C(=O)C2CC2)cc1OC	2171087	QPNZOEWGRMEXNE-XVNBXDOJSA-N	232.279	2.696	30	50	BFEA	
COc1ccc2ncc(C#N)c(Cl)c2c1	16697597	VIKNILFXAQPQEF-UHFFFAOYSA-N	218.643	2.768	30	50	BFEA	
NC1=C(c2ccccc2)C(=O)c2ccccc21	19300510	HLEKBTIHDXNOQP-UHFFFAOYSA-N	221.259	2.710	30	50	BFEA	in-vitro
COc1ccc2c(Cl)c(C#N)cnc2c1	39246714	WMBCMCMNNWELKB-UHFFFAOYSA-N	218.643	2.768	30	50	BFEA	in-vitro
CC(C)COc1cc([N+](=O)[O-])ccc1C#N	261494239	SMFDNTQLUJUDLN-UHFFFAOYSA-N	220.228	2.501	30	50	BFEA	
C=CCNC(=O)COc1ccc2ccccc2c1	2679892	LDZBUCMZFAHUJY-UHFFFAOYSA-N	241.290	2.521	30	50	BFEA	
CCCC(=O)Oc1ccc(C#N)cc1OCC	4813649	QGFLCXJYRJMMPG-UHFFFAOYSA-N	233.267	2.662	30	50	BFEA	
COc1ccc(/C=C/C(=O)c2cccnc2)cc1	5128265	GBVFJQGIYDYHLE-RMKNXTFCSA-N	239.274	2.986	30	50	BFEA	
C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@H]21	253675838	KTEXNACQROZXEV-RMRHIDDWSA-N	248.322	2.762	30	50	BFEA	biogenic,in-vitro
C=CC[C@@]1(C#N)CCN(C(=O)OC(C)(C)C)C1	263624065	NCTBMZNEWVJUOP-ZDUSSCGKSA-N	236.315	2.713	30	50	BFEA	
N#Cc1ccc(NCCC[C@@H]2CCCCO2)nc1	273903915	HZBYXLLYMIVWNU-ZDUSSCGKSA-N	245.326	2.714	30	50	BFEA	
COc1c(N)ccnc1C#CCC1CCCC1	1506424404	JRAMATGCHSRWSO-UHFFFAOYSA-N	230.311	2.604	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCC(O)CC2)CC1	4988974	JARDXKIBQBFSOC-AWEZNQCLSA-N	235.371	2.746	30	50	BFEA	
CCC(CC)C(=O)Nc1sccc1C#N	6850858	KTMWQNGOTABWIR-UHFFFAOYSA-N	222.313	2.994	30	50	BFEA	
O=C1C=C(Nc2ccccc2)c2ccccc2C1=O	100293649	NMSRYZBDOYDJBJ-UHFFFAOYSA-N	249.269	2.905	30	50	BFEA	biogenic
CC(C)(C)OC(=O)N[C@H](C=O)CC1CCCC1	220789992	LKCFNSRNEPSJIY-NSHDSACASA-N	241.331	2.659	30	50	BFEA	
Cc1cc(C)c([C@@]2(C)O[C@H]2C#N)c(C)c1	306449609	AUSKDPCYHIVXKT-AAEUAGOBSA-N	201.269	2.749	30	50	BFEA	
c1cc(-c2ccc(OC[C@H]3CO3)cc2)ccn1	1875389974	BFYWBRABUHDSGF-AWEZNQCLSA-N	227.263	2.526	30	50	BFEA	
C[N+](C)(C)/N=C/C1=C(Cl)CCCC1	1722010	ALZPHVFXZWLEPM-XYOKQWHBSA-N	201.721	2.745	30	50	BFEA	
O=C1C=C(Nc2cccc([N+](=O)[O-])c2)CCC1	4235210	XSKKZXQWMQORFT-UHFFFAOYSA-N	232.239	2.644	30	50	BFEA	biogenic
C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@]1(C)O[C@@H]21	253993184	KTEXNACQROZXEV-ABHRYQDASA-N	248.322	2.762	30	50	BFEA	
CCc1cc(/C(O)=N/CC2CCCC2)cc(O)n1	330740569	OZVFBBRVFXTSMZ-UHFFFAOYSA-N	248.326	2.844	30	50	BFEA	
C=C[C@H](C)NC(=O)c1c(F)cccc1Cl	335686321	NGDCXOYHIHPENB-ZETCQYMHSA-N	227.666	2.783	30	50	BFEA	
C=CCC[C@H](C)Sc1nncs1	379316133	XBFPZOHQEIIHQL-ZETCQYMHSA-N	200.332	2.985	30	50	BFEA	
N#Cc1c(F)cccc1-c1ccc(N)cc1	390823813	FSXXHIQKEAXIDE-UHFFFAOYSA-N	212.227	2.947	30	50	BFEA	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/O)[C@H]2[n+]1ccccc1	252693873	GOJSQMBDTXKYPT-RFRBJRJISA-O	245.346	2.802	30	50	BFEA	
NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F	1678657	TVSDZBUZBHRNBV-UHFFFAOYSA-N	248.101	2.547	30	50	BFEA	in-vitro
O=C1C[C@@H]2CCCCN2C2=C1CCCC2	5425887	XCEGAJDOZFNNRC-JTQLQIEISA-N	205.301	2.642	30	50	BFEA	
CCN(CC)CCN/N=C(\C)Cc1ccccc1	71773072	RQKJKQNCKQAQIB-SAPNQHFASA-N	247.386	2.536	30	50	BFEA	
N#Cc1cccnc1N1CCC[C@@H]1C1CCC1	264025102	PWUZAHUPZICEDR-CYBMUJFWSA-N	227.311	2.722	30	50	BFEA	
C=C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C	22004062	SEDZCRLQHSPEFD-VIFPVBQESA-N	227.304	2.544	30	50	BFEA	in-vitro
C=CCCCNC(=O)c1cc[nH]c1C1CC1	287013365	JJULLLQTIGDZLQ-UHFFFAOYSA-N	218.300	2.588	30	50	BFEA	
CNc1oc(C2CCCCC2)nc1C#N	1775977525	ZJHVANQXBQEAGZ-UHFFFAOYSA-N	205.261	2.636	30	50	BFEA	
CC1(C)OB(c2cc3ccccc3o2)OC1(C)C	169807807	GVWNFCUCNAWDNO-UHFFFAOYSA-N	244.099	2.732	30	50	BFEA	in-vitro
COc1cc(C2=CC(=O)CC2)cc(F)c1F	1772797599	KVOQBGVFYUPUNK-UHFFFAOYSA-N	224.206	2.720	30	50	BFEA	
CCCSc1nc(C)c(C(C)=O)cc1C#N	3104312	DSGTWNCLXNZODP-UHFFFAOYSA-N	234.324	2.966	30	50	BFEA	
C#CCSc1nc2c(cc1C#N)CCCCC2	3683241	DUEYVPFYVMJPCL-UHFFFAOYSA-N	242.347	2.947	30	50	BFEA	
N#Cc1cc(C(F)(F)F)cc(Cl)n1	88190104	HQVYLNKDLDHDMB-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	in-vitro
C#Cc1ccc2c(cnn2[C@H]2CCCCO2)c1	114545191	MZPATBVOSBLBPO-CQSZACIVSA-N	226.279	2.717	30	50	BFEA	
CC#CCSc1nnc(SCC)s1	123658139	GOEGWHVDBXANDP-UHFFFAOYSA-N	230.383	2.766	30	50	BFEA	
CC#CC(=O)N[C@@H]1CC[C@H](C)c2ccccc2C1	1875369812	JORUTPQFHZWMEL-GXTWGEPZSA-N	241.334	2.635	30	50	BFEA	
N#Cc1ccc(-n2nccc2C2CC2)cc1	95495567	NRGMUCAJRLJYCG-UHFFFAOYSA-N	209.252	2.621	30	50	BFEA	in-vitro
N#CCc1ccc(F)cc1C(F)(F)F	2600099	YTIAVOXEDRIPNR-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	in-vitro
O=C(O)/C=C/C(=O)c1cccc(C(F)(F)F)c1	71777529	OTQBRQCBHQBOHF-SNAWJCMRSA-N	244.168	2.529	30	50	BFEA	
C=CCN(C)C(=O)Nc1c(F)cccc1F	156099564	UOIQYKTZRTVECT-UHFFFAOYSA-N	226.226	2.615	30	50	BFEA	
CC1(C)OB(Cc2ccccc2)OC1(C)C	169744900	YCNQPAVKQPLZRS-UHFFFAOYSA-N	218.105	2.861	30	50	BFEA	
O=C1c2ccccc2NC2(CCCCC2)N1O	196131	PKCWVMBUYINTCM-UHFFFAOYSA-N	232.283	2.604	30	50	BFEA	
N#CCc1cccc(C(F)(F)F)c1F	2600095	VUUVDTMSSVKPDJ-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	in-vitro
N#Cc1cc(O)cc(-c2cccc(N)c2)c1	65341286	OVYAQDYNWUBATQ-UHFFFAOYSA-N	210.236	2.513	30	50	BFEA	in-vitro
COc1cc(CN2CCC[C@@H](C#N)C2)ccc1F	97323881	QXTYXCXHBWVZRD-LBPRGKRZSA-N	248.301	2.570	30	50	BFEA	
C=C1C[C@H]1C(=O)N1CCCC[C@@H](SCC)C1	585132202	QKOGOKWZALREJH-VXGBXAGGSA-N	239.384	2.697	30	50	BFEA	
CC(C)Oc1cccc(OC[C@@H]2O[C@H]2C)c1	1875325066	HNZJJBYWLBMRGZ-GWCFXTLKSA-N	222.284	2.640	30	50	BFEA	
O=C(/C=C/N1CCCCC1)c1cccs1	58542	MKOMFVWNWOXCAW-RMKNXTFCSA-N	221.325	2.930	30	50	BFEA	
CC1(C)CC(=O)C(CCC#N)(CCC#N)C(=O)C1	2496273	FDPLKCNPHFYUMS-UHFFFAOYSA-N	246.310	2.539	30	50	BFEA	
O=C(/C=C/N1CCc2ccccc21)C(F)(F)F	4052117	YQUWDTZFUWILAX-SOFGYWHQSA-N	241.212	2.694	30	50	BFEA	
CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1C	6382024	KRWNNYXEKJJWCT-MRVPVSSYSA-N	247.338	2.732	30	50	BFEA	
N#Cc1ccc2c(c1)[C@H]1[C@H]3[C@H]([C@H]4C=C[C@H]41)[C@@H]23	101003235	OVXKINMQQCFJOD-NMVPSPRLSA-N	205.260	2.801	30	50	BFEA	
C=CCN(CC=C)C(=O)c1cccc(F)c1C#N	193124514	KXSXGQJYPHZHBQ-UHFFFAOYSA-N	244.269	2.512	30	50	BFEA	
CCN(CC)c1ccc2cc(C#N)c(=O)oc2c1	58015	LOUYEVRVQGFIFB-UHFFFAOYSA-N	242.278	2.511	30	50	BFEA	biogenic
C=CCNC(=O)c1ccc(OCC(=C)C)cc1	12138000	HICRXJNQZVCOIZ-UHFFFAOYSA-N	231.295	2.557	30	50	BFEA	
N#Cc1cc(Cl)c(C(=O)O)c(Cl)c1	77027067	RABGVNSIHQKYAS-UHFFFAOYSA-N	216.023	2.563	30	50	BFEA	in-vitro
Cc1cc(Br)sc1C#N	91366376	YRHGVLYIFCHFJY-UHFFFAOYSA-N	202.076	2.691	30	50	BFEA	
C=CCOC(=N)C(Cl)(Cl)Cl	5369461	UJYZRNWTLPBNOR-UHFFFAOYSA-N	202.468	2.536	30	50	BFEA	in-vitro
Cc1cc(C(F)(F)F)c(C#N)c(Cl)n1	22995894	LNJOJFNFYGSCCR-UHFFFAOYSA-N	220.581	2.934	30	50	BFEA	in-vitro
N#Cc1cnc2cnc(Cl)cc2c1Cl	72194090	OKYQWZDOLIYAHN-UHFFFAOYSA-N	224.050	2.808	30	50	BFEA	in-vitro
C#CCCCCC(=O)N1CCC[C@H]1CSC	180411236	ARXXSZXVANTWQK-LBPRGKRZSA-N	239.384	2.534	30	50	BFEA	
N#Cc1cc(F)cc(F)c1OC(F)(F)F	263623910	LTEBTAWWFNYAFQ-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
CCSc1sc(CN(C)C)cc1/C=N/O	42380	YOPRRBQRVICXOZ-IZZDOVSWSA-N	244.385	2.730	30	50	BFEA	
C=CCOc1ccc([C@H](O)CC)cc1OC	2236358	NCGGPTUSFJZYKA-LLVKDONJSA-N	222.284	2.703	30	50	BFEA	
CCOc1cc(C#N)cc(Cl)c1OC	2882794	FLJCBUDXJJWUPL-UHFFFAOYSA-N	211.648	2.619	30	50	BFEA	
N#CCc1cc(Br)cs1	16123657	PBIOBPCDJCIIOW-UHFFFAOYSA-N	202.076	2.577	30	50	BFEA	in-vitro
O/N=C(\Cl)c1cccc(Br)c1	138333475	PYTGMMRJSZMTOA-YFHOEESVSA-N	234.480	2.824	30	50	BFEA	
N#Cc1c(O)c(Cl)c(Cl)c(O)c1Cl	405073	FUGCRBOMZLPJFM-UHFFFAOYSA-N	238.457	2.930	30	50	BFEA	
O=C(C#Cc1ccccc1)Nc1ccc(F)cc1	6729208	IMCTTYPKPVYSTH-UHFFFAOYSA-N	239.249	2.816	30	50	BFEA	
CCCC[C@@H]1CCCC/C1=N\NC(N)=S	55524984	HWRKNYSKNQUSOQ-YPJZTRPGSA-N	227.377	2.556	30	50	BFEA	
N#Cc1c(N)ccc(Br)c1Cl	169797929	VCQUJWHUIPJFDH-UHFFFAOYSA-N	231.480	2.556	30	50	BFEA	
C=C1C[C@@H]1C(=O)N1CCCC[C@H](SCC)C1	585132201	QKOGOKWZALREJH-RYUDHWBXSA-N	239.384	2.697	30	50	BFEA	
Cc1c(C#N)c(N2CC=CC2)nc2ccccc12	1144203811	DBVPGXSRBIIIBI-UHFFFAOYSA-N	235.290	2.791	30	50	BFEA	
COc1ccc(C)cc1NC(=O)ON=C(C)C	4775419	AOGUSKFRMYOWSO-UHFFFAOYSA-N	236.271	2.948	30	50	BFEA	
CCO/C=N/c1ccc(C)c(C)c1C#N	43763750	XPIBSASDRJRMNB-RIYZIHGNSA-N	202.257	2.871	30	50	BFEA	
C#Cc1nc2ccccc2cc1Br	79065126	LTQSCOVUBXPRCF-UHFFFAOYSA-N	232.080	2.979	30	50	BFEA	
N#Cc1ccccc1CSC1=NCCS1	617764	CYFHXJPQXDGLAS-UHFFFAOYSA-N	234.349	2.894	30	50	BFEA	
C[C@@H]1C=C(B2OC(C)(C)C(C)(C)O2)C[C@@H](C)O1	214793124	DBRPBBDCXSNINM-NXEZZACHSA-N	238.136	2.742	30	50	BFEA	in-vitro
COc1ccc(-c2c(C#N)c(C)n(C)c2C)cn1	426535391	DKLNGBIYXLFMDF-UHFFFAOYSA-N	241.294	2.584	30	50	BFEA	
C#CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])c1	1077088	QWDYZMFYOQTHOE-UHFFFAOYSA-N	248.238	2.555	30	50	BFEA	
C=CCNC(=S)Nc1cccc(OCC)c1	5333189	WAGCJBIPQDEUID-UHFFFAOYSA-N	236.340	2.558	30	50	BFEA	
CC(C)(C)OC(=O)Nc1ccccc1C#N	19512018	CEYTZDSWLJPPRT-UHFFFAOYSA-N	218.256	2.905	30	50	BFEA	in-vitro
Cc1ccc2c(c1)c1c(n2CC#N)C(=O)CCC1	22018939	QUSMQLZESANEBD-UHFFFAOYSA-N	238.290	2.992	30	50	BFEA	
C=CC[C@@]1(O)CCCc2cc(C#N)ccc21	43199143	XGDACFVIBJGULY-CQSZACIVSA-N	213.280	2.658	30	50	BFEA	
COc1ccccc1OCCCCS	23115439	CDFUXQFTDNASRC-UHFFFAOYSA-N	212.314	2.784	30	50	BFEA	
N#Cc1ccccc1C1(F)CCOCC1	97758584	RUTCOHKFZWLZTK-UHFFFAOYSA-N	205.232	2.533	30	50	BFEA	
C[C@H](Nc1ccc(C#N)nc1)c1ccncc1	125889843	GMXMXRUDUKVEHT-JTQLQIEISA-N	224.267	2.521	30	50	BFEA	
Cc1cc(Sc2nc(C)c(C)[nH]2)ncc1C#N	1639953129	NIXHJEWWXPXRGM-UHFFFAOYSA-N	244.323	2.753	30	50	BFEA	
CSc1nc(C)c(Cl)c(C)c1C#N	141142	PKSPYJQTMVTEOV-UHFFFAOYSA-N	212.705	2.945	30	50	BFEA	
CC(C)CC1=C(O)C(=O)c2ccccc2C1=O	402470	UASBUFXONXNWEH-UHFFFAOYSA-N	230.263	2.924	30	50	BFEA	
CCCCCCCCCC(=O)N(C)CC(=O)O	2565534	LERPQJNGDVCXSI-UHFFFAOYSA-N	243.347	2.670	30	50	BFEA	in-vitro
O=C(CS)Nc1ccc(Cl)cc1Cl	5332521	JEMVBIAKJHVUDN-UHFFFAOYSA-N	236.123	2.862	30	50	BFEA	
N#Cc1cc(Cl)ccc1Br	15443805	CTSHRMBLMKPDAG-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
CCOC(=O)[C@]1(CC)O[C@@]12CCC[C@@H](C)C2	220824009	VBLDDIDQBGIOFP-RTXFEEFZSA-N	226.316	2.677	30	50	BFEA	
Cc1c(F)cc(Cl)c(CC#N)c1F	255187935	HSTZYZCQPKNXCV-UHFFFAOYSA-N	201.603	2.993	30	50	BFEA	
CCN(C)N=C(O)[C@@H](C)OC1CCCCCC1	328591782	JHKFCVMDJOPNAD-LLVKDONJSA-N	242.363	2.938	30	50	BFEA	
Cc1cccnc1/C=C/C(=O)c1cccnc1	5218786	NFJPONLOHQMTNY-VOTSOKGWSA-N	224.263	2.681	30	50	BFEA	
N#Cc1ccc2c(c1)[C@H]1[C@@H]3[C@@H]2[C@H]3[C@H]2C=C[C@H]21	247655296	OVXKINMQQCFJOD-SUPTYASCSA-N	205.260	2.801	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)NOc1ccccc1	585109987	LJEVVMIVBXYARD-NSHDSACASA-N	219.284	2.699	30	50	BFEA	
Cc1cc2nc(SCC#N)[nH]c2cc1C	4535354	IMTNIYZHEPLLOZ-UHFFFAOYSA-N	217.297	2.795	30	50	BFEA	
C=CCNC(=O)c1ccc(O[C@H](C)CC)cc1	10289422	AOPYGQPHDZLHIS-LLVKDONJSA-N	233.311	2.780	30	50	BFEA	
OC1(C#CCOc2ccccc2)CCCCC1	16156596	DAHZABCINXQANI-UHFFFAOYSA-N	230.307	2.764	30	50	BFEA	
Cc1cccc(C#Cc2cc(F)cc(C#N)c2)n1	71294752	ZGEXQIMQZVRTDZ-UHFFFAOYSA-N	236.249	2.801	30	50	BFEA	in-vitro
C=C(C)C(=O)OC(C(F)(F)F)C(F)(F)F	2389893	FMQPBWHSNCRVQJ-UHFFFAOYSA-N	236.111	2.599	30	50	BFEA	in-vitro
N#CCOc1ccc(Cl)c(Cl)c1	3165136	NIQAEZYNTJNSMP-UHFFFAOYSA-N	202.040	2.896	30	50	BFEA	in-vitro
O=C1C=C(Nc2ccccc2[N+](=O)[O-])CCC1	4051876	YPPTUMWGKHRCMR-UHFFFAOYSA-N	232.239	2.644	30	50	BFEA	
CC1CCN(c2ccc(C#N)cc2)CC1	4536026	JDTREFVKULGGHT-UHFFFAOYSA-N	200.285	2.795	30	50	BFEA	
Cc1ccc(-c2nn(CCC#N)cc2C=O)cc1	2983342	DBJOWPZREPGLLN-UHFFFAOYSA-N	239.278	2.585	30	50	BFEA	
CC#CCCN1CCO[C@@H](c2ccccc2F)C1	155372427	CMYDLCMMHNOGPR-OAHLLOKOSA-N	247.313	2.612	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)N[C@@](C)(CO)CCCC	585089858	QBPOKPGBTYVZRM-GXTWGEPZSA-N	241.375	2.646	30	50	BFEA	
C=CCc1cccc2cc(C(C)=O)c(=O)oc12	187644	NEJFWOZMTMIYSE-UHFFFAOYSA-N	228.247	2.724	30	50	BFEA	biogenic
CC(C)(C)C(=O)/C=C/Nc1ccccc1O	18323721	UICJUHYDBFXQQS-CMDGGOBGSA-N	219.284	2.933	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCN(C)CC2)CC1	22586667	XSAHZPXCUZAEIA-HNNXBMFYSA-N	234.387	2.536	30	50	BFEA	
Cc1cc(C#N)cc(N[C@H]2CCOC(C)(C)C2)n1	161112378	UIONYUOTCKCXIR-LBPRGKRZSA-N	245.326	2.631	30	50	BFEA	
Cc1ccc(O)c(/C(=N/O)c2ccccc2)c1	5541890	OFNQACPWWOTIFY-CCEZHUSRSA-N	227.263	2.927	30	50	BFEA	
CCCCCCCCC[C@H](N)C(=O)O	1742220	HASUJDLTAYUWCO-JTQLQIEISA-N	201.310	2.539	30	50	BFEA	
C=CCNC(=O)c1csc2c1CCCC2	4868072	ASELXSHPILRLHT-UHFFFAOYSA-N	221.325	2.543	30	50	BFEA	
CC1(C)[C@@H]2C[C@@H]1CC=C(Br)C2=O	101051254	UPPAJWJACJKKNB-NKWVEPMBSA-N	229.117	2.900	30	50	BFEA	
ON=C1c2ccccc2-c2nc3ccccc3nc21	254824371	SZHHSFHOIDCNLD-UHFFFAOYSA-N	247.257	2.837	30	50	BFEA	
COc1ccnc(Oc2ccccc2)c1C#N	1398094	AYKVTTDUUVLXPI-UHFFFAOYSA-N	226.235	2.754	30	50	BFEA	
Cc1cccc(-n2ncc(C#N)c2-n2cccc2)c1	4110170	OAXSOAFTMHVEGH-UHFFFAOYSA-N	248.289	2.843	30	50	BFEA	
N#Cc1cc(N)ccc1NCc1ccccc1	20134969	CVXDKWLZMPOXSV-UHFFFAOYSA-N	223.279	2.753	30	50	BFEA	in-vitro
Cc1cc(C)c(C#N)cc1Br	39108933	MUESXHWNYAMOEX-UHFFFAOYSA-N	210.074	2.938	30	50	BFEA	in-vitro
CCCCCCCCC[n+]1ccc(C(N)=O)cc1	1726158	DCBBCFDXWUMUCP-UHFFFAOYSA-O	249.378	2.824	30	50	BFEA	
C=C(C)Cc1c(C)nc(-c2ccccc2)[nH]c1=O	8680827	KCJSRFXVABQXRY-UHFFFAOYSA-N	240.306	2.864	30	50	BFEA	
CCCCCC[C@H]1CCC/C1=N\NC(N)=S	13562963	OWGUSBISUVLUJF-AYDSOBSRSA-N	241.404	2.946	30	50	BFEA	
CN(C)[C@@H](C#N)c1ccccc1Br	16124304	HYRRJFUQMCBRMD-JTQLQIEISA-N	239.116	2.575	30	50	BFEA	
Oc1cccc(/C=N\N=C\c2cccc(O)c2)c1	16399467	RNYGIOAXUUJHOC-CKOAPEAFSA-N	240.262	2.551	30	50	BFEA	
N#Cc1ccnc(NCCC[C@@H]2CCCCO2)c1	287096770	ZARIJPJSVPQCRC-ZDUSSCGKSA-N	245.326	2.714	30	50	BFEA	
N#Cc1c(-c2ccc3c(c2)OCO3)csc1N	188888	BFECTSJQJVUEPP-UHFFFAOYSA-N	244.275	2.598	30	50	BFEA	
N#CCC(=O)NCC1(c2ccccc2)CCCC1	380919	XQERMXLRGZVATK-UHFFFAOYSA-N	242.322	2.528	30	50	BFEA	
N#CCc1c[nH]c2cccc(Br)c12	35635619	CGFUOBNYUICDPH-UHFFFAOYSA-N	235.084	2.996	30	50	BFEA	
CN(C)c1ccc([C@@H](C#N)N2CCCCC2)cc1	49609828	NBFNPTWKHQZQRU-OAHLLOKOSA-N	243.354	2.803	30	50	BFEA	in-vitro
C(=N/c1nc2ccccc2[nH]1)\c1ccco1	165094415	KCHFVGKSHKTSDH-MDWZMJQESA-N	211.224	2.907	30	50	BFEA	
C=CCCN1CCN(CCC(C)(C)C)CC1	337194270	AFHDBWSNFWTGOT-UHFFFAOYSA-N	224.392	2.616	30	50	BFEA	
C=CCNC(=O)/C=C/c1ccccc1Cl	2056079	IFPKVUPODZVOHX-BQYQJAHWSA-N	221.687	2.655	30	50	BFEA	
C[C@@]1(c2ccc(F)c(Cl)c2)O[C@H]1C#N	306383826	AMTHMHLAVYJZRH-UWVGGRQHSA-N	211.623	2.617	30	50	BFEA	
C(#Cc1ccccc1)CN1CCCCCC1	1225582	AUHMVYQLZBFPFI-UHFFFAOYSA-N	213.324	2.914	30	50	BFEA	
N#Cc1ccc(C(=O)NC2CCCCC2)c(F)c1	4858697	JUEAANWPIQJSSL-UHFFFAOYSA-N	246.285	2.760	30	50	BFEA	
C=CC[C@]1(O)CCCc2cc(C#N)ccc21	43199142	XGDACFVIBJGULY-AWEZNQCLSA-N	213.280	2.658	30	50	BFEA	
C=CCN[C@]1(c2cccs2)CCCCC1=O	96027866	MKGQQPZQNLMNMD-CYBMUJFWSA-N	235.352	2.862	30	50	BFEA	
N#Cc1ccc2ncc(Br)cc2c1	138163161	MNDUNONVTLIGOD-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
N#Cc1sccc1-c1cccc(N)c1	259857928	MIJAEVSXWOVKPU-UHFFFAOYSA-N	200.266	2.869	30	50	BFEA	
CC#CC(=O)N(C)C1(c2cccc(Cl)c2)CC1	1875381272	PFJUONUWGNADGQ-UHFFFAOYSA-N	247.725	2.811	30	50	BFEA	
N#Cc1cccc2[nH]cc(Br)c12	42684391	FFSJNHMOWYMQJQ-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	in-vitro
CC#CC(=O)NCC(C)(C)c1ccc(Cl)cc1	283470531	YGOQKUIXXUKIAB-UHFFFAOYSA-N	249.741	2.757	30	50	BFEA	
C[C@]1(c2ccc(F)c(Cl)c2)O[C@H]1C#N	306383827	AMTHMHLAVYJZRH-VHSXEESVSA-N	211.623	2.617	30	50	BFEA	
C=CCC1(C(=O)Nc2ccc(C)nc2O)CCC1	332488867	WSOLWUSSNCSBOD-UHFFFAOYSA-N	246.310	2.781	30	50	BFEA	
COc1ccc(/C=C/C(=O)C2CC2)cc1	69236	OETDGAVCXAJYJG-RUDMXATFSA-N	202.253	2.688	30	50	BFEA	biogenic
O=C(ON=C1CCSCC1)c1ccccc1	192179	NVAVALYBOSBMHB-UHFFFAOYSA-N	235.308	2.726	30	50	BFEA	
N#CCC[C@H]1CCC[C@H](CCC#N)C1=O	2162348	AWHFKTMJYGMAKQ-GHMZBOCLSA-N	204.273	2.579	30	50	BFEA	in-vitro
N#CCC(=O)C12CC3CC(CC(C3)C1)C2	4998083	ALVFKYUPAPUUIU-UHFFFAOYSA-N	203.285	2.686	30	50	BFEA	
COc1ccc([C@H]2C/C(=N\O)C(C)(C)O2)cc1	12341413	ZTAREMLGSUJPPF-UWYSJPFYSA-N	235.283	2.765	30	50	BFEA	
CC(C)[C@@H]1CN(c2ccc(C#N)nc2)CCS1	195535373	SRCXNQVFAXOBAW-ZDUSSCGKSA-N	247.367	2.531	30	50	BFEA	
CC(C)(C)[S@@](=O)/N=C/c1cccs1	203260091	YYSVBNDDIUTFLR-UTSBKAFOSA-N	215.343	2.629	30	50	BFEA	
C=C(C)COc1ccccc1NC(=O)COCC	952988186	BXFQNZWTSORRTA-UHFFFAOYSA-N	249.310	2.617	30	50	BFEA	
CCc1c2c([nH]c(=S)c1C#N)CCC2	2848723	QKYPEAYWLXDFCP-UHFFFAOYSA-N	204.298	2.667	30	50	BFEA	
C=CCn1c(Cc2cccs2)n[nH]c1=S	9928085	WGQWVGVMMLGFGU-UHFFFAOYSA-N	237.353	2.779	30	50	BFEA	
C[C@@]1(c2ccccc2C(F)(F)F)O[C@H]1C#N	380484287	XOYUBSTXGKVICW-UWVGGRQHSA-N	227.185	2.843	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)Nc1cnsc1	585127337	XNNQZKSRQGKYGM-QMMMGPOBSA-N	210.302	2.684	30	50	BFEA	
CC(=O)C1=C(NC(=O)c2ccccc2)CCCC1	59850	PPZVJUASUWWBBD-UHFFFAOYSA-N	243.306	2.834	30	50	BFEA	
C=CCNC(=O)Nc1ccc(C)cc1C	2170905	RRIOUVOIPJQPOD-UHFFFAOYSA-N	204.273	2.611	30	50	BFEA	
N#Cc1ccc(-c2ccc(O)cc2)cc1O	65341294	BCDTVDHAXREYJE-UHFFFAOYSA-N	211.220	2.636	30	50	BFEA	in-vitro
CO[C@@](C#N)(c1ccccc1)C(F)(F)F	56502	UBOJBAYKXZRZHI-VIFPVBQESA-N	215.174	2.614	30	50	BFEA	in-vitro
C=C(C)Cn1c([C@@H](C)O)nc2ccccc21	210227	WICCMFMISVKWNL-SNVBAGLBSA-N	216.284	2.666	30	50	BFEA	
Cc1cccc(/N=C2\NC(=O)c3ccccc32)c1	3130688	UJCSPXRFDQJWRR-UHFFFAOYSA-N	236.274	2.817	30	50	BFEA	
C=CCNC/C=C/COc1ccccc1F	12343796	OALUOPJOQGUUDL-AATRIKPKSA-N	221.275	2.536	30	50	BFEA	
C=CCc1cccc2c1N(C(C)=O)CCC2	63772477	DPYZFCRPNKXLFZ-UHFFFAOYSA-N	215.296	2.714	30	50	BFEA	
CC(C)[C@H](C)CN=C1NC[C@H](c2ccccc2)N1	2325790596	XCHQZPOIIUYSPY-TZMCWYRMSA-N	245.370	2.569	30	50	BFEA	
C(=N/Nc1nc2ccccc2o1)\c1ccco1	3909478	GCFITFWBLNXNPZ-MDWZMJQESA-N	227.223	2.867	30	50	BFEA	
O=C(/C=C/c1ccccc1O)c1cccnc1	5716862	XTWJHAQBORZNOB-BQYQJAHWSA-N	225.247	2.683	30	50	BFEA	
C=C[C@]1(O)C[C@H]2C(C)=C(OC)[C@H]1CC2(C)C	101054641	HNFKXDSQSGFUCK-WDMOLILDSA-N	222.328	2.890	30	50	BFEA	
CC#CC(=O)Nc1ccccc1OC(C)(C)C	283287226	SQXFUFKDUOVPIQ-UHFFFAOYSA-N	231.295	2.826	30	50	BFEA	
C=C/C(O)=N/[C@@H]1CCCC[C@@H]1n1cccn1	328597177	FGUXTXVIUQRBBC-MNOVXSKESA-N	219.288	2.509	30	50	BFEA	
CN1CCC/C1=C/C=Nc1ccccc1	334157220	AAYDNUMRZKVGCA-PDIJOADXSA-N	200.285	2.998	30	50	BFEA	
CC[C@@H](C)O/N=C(\C)c1ccc(CC(=O)O)cc1	584908378	IIKXXEJHCJCCCM-YMQUWAGYSA-N	249.310	2.853	30	50	BFEA	
CC(=O)OCc1ccccc1C#C[Si](C)(C)C	643919615	LNEWAFKVZRZIIV-UHFFFAOYSA-N	246.382	2.979	30	50	BFEA	
C=CC[C@](C)(O)[C@@](O)(CC=C)c1ccccc1	43198571	IUCMAUZVAJBOCY-LSDHHAIUSA-N	232.323	2.777	30	50	BFEA	
C#Cc1ccc(C(=O)OC(C)(C)C)s1	1772715678	OAVSLHGRGSEVKZ-UHFFFAOYSA-N	208.282	2.685	30	50	BFEA	
C=CCc1c(C)[nH]c2ccc(C)cc2c1=O	4037182	BSGSBOSRWALTLH-UHFFFAOYSA-N	213.280	2.873	30	50	BFEA	
CN(C)/C=N/c1ccc([N+](=O)[O-])c2ccccc12	17002812	GYPMYHHWJKLXEC-NTEUORMPSA-N	243.266	2.969	30	50	BFEA	
CC(Nc1ccccc1)=C1C(=O)CCCC1=O	100640787	BBCGPSONMMWQCU-UHFFFAOYSA-N	229.279	2.695	30	50	BFEA	
Cn1cc(Oc2cccc(Cl)c2C#N)cn1	227940389	XQKBPODTZGZOOS-UHFFFAOYSA-N	233.658	2.737	30	50	BFEA	
CC(C)(C)C(=O)Nc1ccccc1C#N	398212	UTEFQTWRANORDC-UHFFFAOYSA-N	202.257	2.543	30	50	BFEA	
Cc1ccc(C(=O)/C=C/c2ccn(C)n2)cc1	6788098	OOYIPUKWWZROBV-BQYQJAHWSA-N	226.279	2.625	30	50	BFEA	
Nc1cccc(C(=O)/C=C/c2ccncc2)c1	25664313	LQGFSBGVVVYAAM-SNAWJCMRSA-N	224.263	2.560	30	50	BFEA	
O=C1C=CC(=O)C(SC2CCCCC2)=C1	94781556	UBYILXJXVVVLTA-UHFFFAOYSA-N	222.309	2.644	30	50	BFEA	
O/N=C1/[C@H]2CCC[C@H]1[C@@H](N1CCCCC1)CC2	100291520	UEMQBUNIAKDORY-GUVFVBGMSA-N	236.359	2.881	30	50	BFEA	
CCCCOc1ccc(/C(C)=N/O)c(O)c1	5420477	OEXIASPJDBMJHB-UKTHLTGXSA-N	223.272	2.769	30	50	BFEA	
C[C@H](CCC1CC1)/N=C(/O)[C@H]1CCC(O)=N1	329970028	WWZWZGJQCOMQQT-PSASIEDQSA-N	224.304	2.641	30	50	BFEA	
COc1cc(C2(C#N)CCCC2)ccc1O	227110	ATIYBDKLBAVJRJ-UHFFFAOYSA-N	217.268	2.736	30	50	BFEA	
C[C@H](CCc1ccccc1)NCCC#N	1867354	ZQXYBODARBOTEP-GFCCVEGCSA-N	202.301	2.511	30	50	BFEA	in-vitro
O=C(/C=C/Nc1ccccc1O)c1ccco1	13639136	XDULSPDVCAHBMV-BQYQJAHWSA-N	229.235	2.794	30	50	BFEA	
C=CCC(=O)N1CCO[C@H](CCCC(C)C)C1	65452108	ZEHLEONAIGZAAG-CYBMUJFWSA-N	239.359	2.616	30	50	BFEA	
C=C[C@@]1(O)C[C@H]2C(C)=C(OC)[C@H]1CC2(C)C	101054647	HNFKXDSQSGFUCK-MISXGVKJSA-N	222.328	2.890	30	50	BFEA	
C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(O)c1	282255062	JQVJPVQSSRUJML-GMXVVIOVSA-N	230.311	2.735	30	50	BFEA	
CSC1=NC(C)(C)CC12C=CC(=O)C=C2	170261	KPVFPILHEWPNLU-UHFFFAOYSA-N	221.325	2.612	30	50	BFEA	
C=CCNC(=O)c1cc(-c2ccc(C)cc2)on1	2863637	CHJGCGYSUVCTDM-UHFFFAOYSA-N	242.278	2.566	30	50	BFEA	
C/C(=N\Nc1ccccc1)c1ccccn1	5184094	IAHWYHYXNQDZNV-RVDMUPIBSA-N	211.268	2.918	30	50	BFEA	
C=CCC[C@@H](O)CN1CCCC[C@@H](SC)C1	134550897	UYYJJBGJANYLBL-CHWSQXEVSA-N	243.416	2.531	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)Nc1nc(C2CC2)c[nH]1	289352603	LRMZCCUOGJRBGV-VIFPVBQESA-N	233.315	2.828	30	50	BFEA	
CCCCNC(=S)Nc1cc(C)cc(C#N)c1	308164135	YKWHMZROLGHPRK-UHFFFAOYSA-N	247.367	2.953	30	50	BFEA	
O/C(=N/CCCCc1ccccc1)N1CCC1	328590325	SXKNSRZLGVGYQS-UHFFFAOYSA-N	232.327	2.629	30	50	BFEA	
N#Cc1csc(-c2ccc(F)cc2F)n1	121387	DRWBYYUPPIDFJM-UHFFFAOYSA-N	222.219	2.960	30	50	BFEA	
C/C(=N\Nc1nc(C)cc(C)n1)c1cccs1	4995993	IQWIMTCFPJEUJQ-XNTDXEJSSA-N	246.339	2.991	30	50	BFEA	
C=CCN[C@@H](C)c1ccc(C)c(C)c1O	225475692	LTWCWSZPUAQXPF-NSHDSACASA-N	205.301	2.846	30	50	BFEA	
C#CCCC(=O)NCCCC1CCCCC1	225703879	QPIIKZHADNBTEY-UHFFFAOYSA-N	221.344	2.877	30	50	BFEA	
C=C(C)C(C)(C)C(=O)N[C@H]1CC[C@@H](F)C1	335090594	HAQOOWSWGVKINL-ZJUUUORDSA-N	213.296	2.596	30	50	BFEA	
C=CCOC[C@H](CSCCCC)OC(C)=O	5102447	FKFPXAYBAAROLX-GFCCVEGCSA-N	246.372	2.654	30	50	BFEA	
C#CC1(C)CCN(C(=O)OC(C)(C)C)CC1	95629908	KVSMRAKIKMZNAH-UHFFFAOYSA-N	223.316	2.657	30	50	BFEA	in-vitro
C=C(B1OCC(C)(C)CO1)c1ccccc1	169904333	HNJLVOQORSGCLB-UHFFFAOYSA-N	216.089	2.800	30	50	BFEA	in-vitro
CCSc1ccc([C@H](C)NCC#N)cc1	182113397	ROBXNYNNGMDVKG-JTQLQIEISA-N	220.341	2.973	30	50	BFEA	
O=[N+]([O-])c1ccccc1NN=C1CCCC1	4674571	QRAGGNODPJAMHM-UHFFFAOYSA-N	219.244	2.937	30	50	BFEA	
N#Cc1ccccc1OCCCCn1ccnc1	16488431	ASOLTMOIYVTDDP-UHFFFAOYSA-N	241.294	2.614	30	50	BFEA	
Cc1ccc(S(=O)(=O)OCC2CCC2)cc1	39411184	RNIHFEJHABJCID-UHFFFAOYSA-N	240.324	2.500	30	50	BFEA	in-vitro
N#Cc1ccc2c(c1)[C@@H]1[C@@H]3C=C[C@@H]3[C@@H]3[C@H]2[C@@H]31	247655294	OVXKINMQQCFJOD-JSPKAECFSA-N	205.260	2.801	30	50	BFEA	
C#CC(C)(C)NC(=O)/C=C/c1ccccc1Cl	77225	ICMLZVZKBRUEOG-MDZDMXLPSA-N	247.725	2.881	30	50	BFEA	
N#CCC(=O)Nc1ccccc1C(F)(F)F	3289675	QRMBMSKLEQIKLX-UHFFFAOYSA-N	228.173	2.558	30	50	BFEA	in-vitro
CC(=O)[C@@H](C#N)c1cccc(Br)c1	37409261	YNSRFDBOLZEERT-SNVBAGLBSA-N	238.084	2.645	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1cc(Cl)cnc1N	169794052	ZZSDHUMNIBZFFM-UHFFFAOYSA-N	224.767	2.546	30	50	BFEA	in-vitro
CCC[C@]1(C(=O)OCC)O[C@@]1(CC)C(C)C	211921051	IFIJOZBMWNCGAC-QWHCGFSZSA-N	228.332	2.923	30	50	BFEA	
O=C(O)c1ccc(C#CCC2CCCC2)nc1	1506423779	JNADQCCQUJJRCG-UHFFFAOYSA-N	229.279	2.712	30	50	BFEA	
COc1ccc([C@@H]2CC[C@H]2NC[C@H](C)C#N)cc1	1616182395	PSFSVSSSLRJJIE-BYCMXARLSA-N	244.338	2.690	30	50	BFEA	
O=C1CCCC/C1=N/Nc1ccc([N+](=O)[O-])cc1	17299518	LTGSLBNCOXOGEC-KAMYIIQDSA-N	247.254	2.506	30	50	BFEA	
N#C[C@H]1C(=O)CC23CC=CCC12CC=CC3	45027842	NYPAILYZRYJGJS-XGNXJENSSA-N	213.280	2.772	30	50	BFEA	
C/C(O)=C\C(C)=N\c1cccc(C(=O)O)c1	100162807	FPZQYIKUWMJVFB-IMWXLZLDSA-N	219.240	2.939	30	50	BFEA	
Cc1cc(C)c(/C=C/C(=O)C(C)(C)O)c(C)c1	143166573	MZEPKOZFBZWACD-VOTSOKGWSA-N	232.323	2.965	30	50	BFEA	
C=CCn1c(=N)sc2cc(F)cc(F)c21	217429796	QIVWKASDARDNKP-UHFFFAOYSA-N	226.251	2.646	30	50	BFEA	
Cc1cc(N/C=C/C(=O)c2cccs2)no1	5541607	XHXHAWXTNNBJQS-SNAWJCMRSA-N	234.280	2.853	30	50	BFEA	
COC(=O)c1ccc(-c2ccc(C#N)cc2)o1	12957867	KXWHTAUZNSVTPO-UHFFFAOYSA-N	227.219	2.605	30	50	BFEA	
Oc1cccc(/C=N/Cc2ccccc2)c1O	18285660	KPXVMHSEGZWIOA-XNTDXEJSSA-N	227.263	2.717	30	50	BFEA	
CC/N=C(/O)[C@H]1C[C@@]12CCOc1ccc(F)cc12	328605681	OTYNQRQIWWUCLW-BXUZGUMPSA-N	249.285	2.842	30	50	BFEA	
CCN1C=CC=CC1=CC=C1C=CC(=O)C=C1	1857666591	XJEYJUGDHHMEKL-UHFFFAOYSA-N	225.291	2.897	30	50	BFEA	
C=C1OC(=O)O[C@]1(C)Cc1ccccc1	1235116	HSFHALUNPNBMJY-GFCCVEGCSA-N	204.225	2.668	30	50	BFEA	
COc1cc(C#N)ccc1OCC=C(C)C	6729053	XAUVVIOWATYRAA-UHFFFAOYSA-N	217.268	2.912	30	50	BFEA	
C[C@H](CC=O)NC(=O)c1cc2ccccc2s1	71786955	ZDXIOEXKGCMMBF-SECBINFHSA-N	247.319	2.609	30	50	BFEA	
O=C(O)c1cccc2c1-c1ccccc1/C2=N\O	100370373	IHSOXTPEDUKGBD-FYWRMAATSA-N	239.230	2.592	30	50	BFEA	
N#Cc1ccc2[nH]cc([C@@H]3CCC(=O)C3)c2c1	142550461	PCCIEBVCPXEIFS-SNVBAGLBSA-N	224.263	2.876	30	50	BFEA	
O/N=C1\CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]12	216580365	YGUBLIFXKQYDAG-LPPHJRPXSA-N	244.338	2.749	30	50	BFEA	in-vitro
N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC3CCC2CC3)C1	591797766	GGZWKCSHANQQAW-IYIPPKHMSA-N	246.354	2.621	30	50	BFEA	
Oc1c(F)c(F)c(C(F)(F)F)c(F)c1F	2530921	HZQGKHUTYHEFBT-UHFFFAOYSA-N	234.070	2.967	30	50	BFEA	in-vitro
CCSc1nc2c(cc1C#N)CCCC2	3682860	MLWKWLJRGWWEFI-UHFFFAOYSA-N	218.325	2.944	30	50	BFEA	
O=[N+]([O-])c1ccc(/C=N/Nc2ccccc2)o1	3921332	HUZCMQIIFYRKFJ-XYOKQWHBSA-N	231.211	2.634	30	50	BFEA	
C=CCCc1ccccc1NC(=O)[C@@H](C)OC	242087967	WAQCLXICYUDXEV-LLVKDONJSA-N	233.311	2.779	30	50	BFEA	
N#Cc1cc2c(nc1-c1cccnc1)CCCC2	426504673	XWPBLNZLDDQUHS-UHFFFAOYSA-N	235.290	2.894	30	50	BFEA	
CC(C)(C)c1cc(C#N)cc(C(=O)O)c1	42689524	XPKGPEUHQNUSRA-UHFFFAOYSA-N	203.241	2.554	30	50	BFEA	
N#Cc1ccc(Br)c2cccnc12	90563374	DAYKHFAZOORREQ-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
COc1cc(Cl)c(C#N)c(Cl)c1	75602154	MTKOPGRUFMDVSS-UHFFFAOYSA-N	202.040	2.874	30	50	BFEA	in-vitro
CC(=O)c1ccc(C[C@H](C)N(C)CCC#N)cc1	96027968	HGTPXXZKZQECOO-LBPRGKRZSA-N	244.338	2.666	30	50	BFEA	
N#Cc1cc2ncccc2cc1Br	228899813	VWQQBJVNZXPMLZ-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
CCN1C=CC=C/C1=C/C=C1C=CC(=O)C=C1	334157229	XJEYJUGDHHMEKL-ZROIWOOFSA-N	225.291	2.897	30	50	BFEA	
Oc1ccc(/C=N/c2ccccc2O)c(O)c1	227156	VISLUSLXCVLVTQ-RIYZIHGNSA-N	229.235	2.554	30	50	BFEA	
CO/C(=N/c1cccc(Cl)c1)c1nccn1C	4552379	IYFJOFUEDMNCPG-NTCAYCPXSA-N	249.701	2.798	30	50	BFEA	
O=C(/C=C\c1ccccc1)c1ccncc1	4566892	SVMJUKBSJNQUFP-SREVYHEPSA-N	209.248	2.978	30	50	BFEA	
CC#CC(=O)N(CC)Cc1ccc(Cl)s1	277589619	ZNSQTHSXCQYBAL-UHFFFAOYSA-N	241.743	2.773	30	50	BFEA	
Cc1ncccc1-c1cc(C#N)ccc1N	1875340229	QTUYKDQXEHRPHW-UHFFFAOYSA-N	209.252	2.511	30	50	BFEA	
O=C1C(=Cc2cccnc2)C(=O)c2ccccc21	76034	OMHZFEWYVFWVLI-UHFFFAOYSA-N	235.242	2.544	30	50	BFEA	in-vitro
C=CCOc1ccc2c(C)cc(=O)oc2c1C	1690204	CWBNOQSQEHMTNZ-UHFFFAOYSA-N	230.263	2.975	30	50	BFEA	biogenic
C[C@H]1CC(CCn2cnc(C#N)n2)C[C@H](C)C1	120885984	BIVBWJBVWBKXSQ-GHMZBOCLSA-N	232.331	2.612	30	50	BFEA	
C=CCSc1ncc(CO)n1CCC(C)C	12382240	AMCBENCVZCNVHH-UHFFFAOYSA-N	240.372	2.700	30	50	BFEA	
N#Cc1cccc2c1-c1ccccc1/C2=N/O	13563205	IWWISSBCSVMCGM-PEZBUJJGSA-N	220.231	2.765	30	50	BFEA	
Cc1cc(C)c(C#N)c(-c2cccc3ccnn23)n1	72152592	DUINRPPSCWUHAZ-UHFFFAOYSA-N	248.289	2.885	30	50	BFEA	
C[C@]1(c2ccc3ccccc3c2)O[C@@H]1C#N	390108158	VDBMCOVPJUBJBO-ZIAGYGMSSA-N	209.248	2.977	30	50	BFEA	
O=Cc1cc(C#Cc2ccccc2)cs1	161423	SAYKNBQCVYQQJF-UHFFFAOYSA-N	212.273	2.960	30	50	BFEA	in-vitro
Cc1nc(N)c(C#N)c(-c2ccccc2)c1C	19832452	XLLWVRJCMPYGFW-UHFFFAOYSA-N	223.279	2.819	30	50	BFEA	
N#CCCC/C=C\CO[C@H]1CCCCO1	39118477	RIWZVGMEJFXPKY-GCLPIYDQSA-N	209.289	2.780	30	50	BFEA	
Oc1ccc(/C=N/c2nccs2)cc1	100310448	LEXABYIVSICYNZ-KPKJPENVSA-N	204.254	2.599	30	50	BFEA	
COC1(OC)C[C@H]2C[C@H]1c1c(C#N)cccc12	101048907	LLSHASVSKMSTAW-PWSUYJOCSA-N	229.279	2.522	30	50	BFEA	
O=CC1CC2(C1)CC1(CC(F)(F)C1)C2	1857785052	HCHMYHAUFOSVKX-UHFFFAOYSA-N	200.228	2.791	30	50	BFEA	
N#C[C@@]12O[C@]1(Cl)CCCC2(Cl)Cl	494867	VXCVLHHMGCTERU-CAHLUQPWSA-N	226.490	2.572	30	50	BFEA	
C/C(=N\O)c1cccc(C(F)(F)F)c1	100008418	QQGVWMIRCZEUBB-AWNIVKPZSA-N	203.163	2.904	30	50	BFEA	in-vitro
N#Cc1cccc2c1-c1ccccc1/C2=N\O	100479196	IWWISSBCSVMCGM-JQIJEIRASA-N	220.231	2.765	30	50	BFEA	
O=C[C@@H](c1cccc(F)c1)C(F)(F)F	139742456	XUYZBJGXKSHGAA-QMMMGPOBSA-N	206.138	2.671	30	50	BFEA	in-vitro
COC(=O)CCCCCCCC[C@@H]1CO1	2083215	UGYHPPMOOSFOTN-LLVKDONJSA-N	214.305	2.679	30	50	BFEA	biogenic
C#CC(C)(C)OC(=O)Nc1ccc(F)cc1	4838491	FBJRRXUOIUFWHY-UHFFFAOYSA-N	221.231	2.786	30	50	BFEA	
CNC(=O)c1ccc(CSCCCC#N)cc1	190942280	KQIDLCJWNTZROT-UHFFFAOYSA-N	248.351	2.583	30	50	BFEA	
COc1ccc(-c2cccc(C#N)n2)c(C)c1	67741825	HFCITJPPECTPJZ-UHFFFAOYSA-N	224.263	2.937	30	50	BFEA	
C=CCOc1ccc(/C=N/O)cc1Cl	100903136	PVVYXFJRXJOEIM-KPKJPENVSA-N	211.648	2.713	30	50	BFEA	
CCN(CC)CC#CC[C@@H](C)OC(C)(C)C	2495977	UAYMTKPMDNHKJH-CYBMUJFWSA-N	225.376	2.925	30	50	BFEA	
C=CCOc1ccc(C=O)c(OCC=C)c1	4615411	GACDJVALBBJGQY-UHFFFAOYSA-N	218.252	2.629	30	50	BFEA	in-vitro
COc1ccccc1-c1cc(C)nc(N)c1C#N	23279760	KHGHWRIVNDYDQQ-UHFFFAOYSA-N	239.278	2.520	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@@]1(CC)C(C)C	211920981	IFIJOZBMWNCGAC-STQMWFEESA-N	228.332	2.923	30	50	BFEA	
CC(C)(C)OC(=O)N1CCCC[C@@H](C#N)C1	215051268	QGYWDIMUFLWANK-JTQLQIEISA-N	224.304	2.547	30	50	BFEA	
CC#CC(=O)N[C@H](C)c1ccc(SC)cc1	801305366	JFBSCHOUDLSGAC-SNVBAGLBSA-N	233.336	2.609	30	50	BFEA	
CC#CC(=O)N[C@](C)(CCC)c1ccccc1	889482601	SRAVPYWAZGGHLC-OAHLLOKOSA-N	229.323	2.841	30	50	BFEA	
N#Cc1cccc(NC(=O)c2ccccc2)c1	46446	UCPDMPHZMMJOJJ-UHFFFAOYSA-N	222.247	2.811	30	50	BFEA	in-vitro
N#Cc1ccc(Nc2ccccc2)c(N)c1	453563	IQOJDSWWUHQSEO-UHFFFAOYSA-N	209.252	2.884	30	50	BFEA	in-vitro
Cc1cc(C)nc(N/N=C/c2ccccc2)n1	3913812	AYTYJXVNZZYPMI-NTEUORMPSA-N	226.283	2.539	30	50	BFEA	
Cc1ccc(C(=O)/C=C/c2cnn(C)c2C)cc1	6922778	CDZZCQWVUVOTRG-CMDGGOBGSA-N	240.306	2.933	30	50	BFEA	
CS/C(=N\C#N)Nc1ccc(C)c(C)c1	18029744	VJDFVCFNOXUOHG-UHFFFAOYSA-N	219.313	2.915	30	50	BFEA	
CC(C)C[C@@H](CC=O)NC(=O)OC(C)(C)C	72481773	PXSPQTFERASGAD-SNVBAGLBSA-N	229.320	2.515	30	50	BFEA	
C=CCN[C@@H]1CCCOc2ccc(OC)cc21	130682808	XEIOTUFCTQDZPE-CYBMUJFWSA-N	233.311	2.685	30	50	BFEA	
CC1(C#N)CCN(Cc2cnccc2Cl)CC1	670466938	LBMZRPJYDCJWBZ-UHFFFAOYSA-N	249.745	2.861	30	50	BFEA	
N#Cc1c(Nc2ccccc2)ccnc1S	197463	BHWRXDXEEBEYSK-UHFFFAOYSA-N	227.292	2.986	30	50	BFEA	
CC1=C(/C(C)=N\O)/C(=N\O)[C@H]2CCCC[C@@H]2O1	4764986	FOEWKBVMWHWBLO-AWRLBUGQSA-N	238.287	2.530	30	50	BFEA	
N#Cc1ccc(/N=C2\C(=O)Nc3ccccc32)cc1	12341742	WVDRDZVTZUDHOK-UHFFFAOYSA-N	247.257	2.631	30	50	BFEA	
CSC(=Nc1nccs1)SC	44125138	DJYCOYZZTRFION-UHFFFAOYSA-N	204.345	2.857	30	50	BFEA	
C=C1C(=C(C)C)C(=O)N[C@H]1c1ccccc1	45027802	BWNPLPNQEILIQO-CYBMUJFWSA-N	213.280	2.750	30	50	BFEA	
N#Cc1cn(-c2ccccc2)nc1C(F)(F)F	66322715	LWQJQWADNBQYCP-UHFFFAOYSA-N	237.184	2.763	30	50	BFEA	
C=C(C)CNC(=O)[C@@H]1CCCC(F)(F)C1	283304905	NOJYLLUFYZRTRI-SECBINFHSA-N	217.259	2.504	30	50	BFEA	
C#CCNCc1ccc(Cl)cc1Cl	19875405	BJXNVEGAWLTJGS-UHFFFAOYSA-N	214.095	2.716	30	50	BFEA	
O=C(C1=C(c2ccccc2)NCC1)C(F)(F)F	34792365	ITYVPKIPAMPCKO-UHFFFAOYSA-N	241.212	2.522	30	50	BFEA	
C[C@H]1CCN(c2ccc(C#N)nc2)[C@@H](C)C1	222088226	JHZRTMARNAEOGP-QWRGUYRKSA-N	215.300	2.578	30	50	BFEA	
CSc1nc2c(cc1C#N)CCCCC2	107785	PVMOBFWFZJAJJE-UHFFFAOYSA-N	218.325	2.944	30	50	BFEA	
CC(C)=N/N=C(/N)SCc1ccccc1	13686790	ZQZSCLVJHVILHH-UHFFFAOYSA-N	221.329	2.630	30	50	BFEA	
C[C@]1(c2ccccc2Br)O[C@@H]1C#N	306187919	BHHJTSQEEMFIEA-NXEZZACHSA-N	238.084	2.587	30	50	BFEA	
C=CCNC(=O)c1ccc(C(C)C)cc1	2609205	IGVQIESPHSKKLI-UHFFFAOYSA-N	203.285	2.726	30	50	BFEA	
C=CCN(CC=C)C(=O)CCc1ccccc1	5382732	BVOOSYBJNDMCRX-UHFFFAOYSA-N	229.323	2.820	30	50	BFEA	
C#Cc1ccc2c(cnn2[C@@H]2CCCCO2)c1	114545188	MZPATBVOSBLBPO-AWEZNQCLSA-N	226.279	2.717	30	50	BFEA	
N#CCc1cc(F)ccc1Br	2243305	KTNJFIQOVKEQFB-UHFFFAOYSA-N	214.037	2.654	30	50	BFEA	biogenic,in-vitro
CC(=NN=C(C)c1ccccn1)c1ccccn1	257357593	PABCPYWMQOSNHD-UHFFFAOYSA-N	238.294	2.710	30	50	BFEA	
CC(=O)/C(Cl)=N\Nc1ccc(Cl)cc1	8385654	RJHCGGWBOWGPJS-UKTHLTGXSA-N	231.082	2.893	30	50	BFEA	
N#Cc1cccc(Br)c1Cl	49582122	SKSXVQHWKWTNPO-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
CCCCCCCCCC[C@H](N)CO	100684740	VFAALMIZIKQCCB-LBPRGKRZSA-N	201.354	2.837	30	50	BFEA	
C=CCn1c(=O)n(CC=C)c2c(C)cc(C)cc21	214943	MIRSHXFBZCXFKN-UHFFFAOYSA-N	242.322	2.792	30	50	BFEA	
C=C(C)CNc1ccc([C@@H](C)C(=O)O)cc1	1999253	FPHLBGOJWPEVME-SNVBAGLBSA-N	219.284	2.863	30	50	BFEA	in-man
N#Cc1c(N)nc2c(c1-c1ccco1)CCCC2	19300145	OKAHHDMYHOXNHD-UHFFFAOYSA-N	239.278	2.674	30	50	BFEA	
Cc1ccc([C@@H](O)c2ccc(C#N)cc2)cc1	85210108	IHCBWUWUQNNJLY-OAHLLOKOSA-N	223.275	2.948	30	50	BFEA	in-vitro
CC(C)SCCN1CCC[C@](C)(C#N)C1	619781273	JGKUOFPXRXGVSX-GFCCVEGCSA-N	226.389	2.754	30	50	BFEA	
N#Cc1coc2c(Cl)cc(Cl)cc2c1=O	155082	YERQUFAYRCSXEQ-UHFFFAOYSA-N	240.045	2.971	30	50	BFEA	in-vitro
CC[N+](C)(CC)CC(=O)Nc1c(C)cccc1C	1881708	HFRFLLYLVAKRMZ-UHFFFAOYSA-O	249.378	2.728	30	50	BFEA	in-vitro
C=CCc1ccccc1B1OC(C)(C)C(C)(C)O1	195888337	DJVJQUXDYIOXFO-UHFFFAOYSA-N	244.143	2.714	30	50	BFEA	
N#CCc1ccnc(Oc2ccccc2)c1	1857783413	MUENFOSTZOPFAF-UHFFFAOYSA-N	210.236	2.940	30	50	BFEA	
O=C(O)c1ccc(/N=C/c2cccs2)cc1O	2155905	IRKDYMSWCNSRHN-NTUHNPAUSA-N	247.275	2.903	30	50	BFEA	
Cc1ncsc1CNC1CCC(C#N)CC1	600850291	RZOSKMGVRQZLTL-UHFFFAOYSA-N	235.356	2.624	30	50	BFEA	
Cc1ccc2c(c1)SCCCN2C(=O)CC#N	818027481	VCVJCJSZZKNMKF-UHFFFAOYSA-N	246.335	2.738	30	50	BFEA	
C=CCc1ccccc1Oc1cc(F)nc(N)n1	178744	HDAPZDITMDANFK-UHFFFAOYSA-N	245.257	2.719	30	50	BFEA	
N#Cc1ncc(Br)c2ccccc12	82767447	WYYWXXFJXOJBBJ-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
COc1nccc(Nc2ccccc2)c1C#N	190282	NIROEMKUMMZZRN-UHFFFAOYSA-N	225.251	2.705	30	50	BFEA	
C=CCOc1ccc(NC(=O)C2CC2)cc1	6742885	PHBMLWVCYUAFCV-UHFFFAOYSA-N	217.268	2.600	30	50	BFEA	
N#Cc1ccc(-c2cc(N)c(F)cc2C#N)cc1	1875339381	HVIPVMAHSTZTTA-UHFFFAOYSA-N	237.237	2.818	30	50	BFEA	
C[C@]1(CNc2cc[nH]c(=N)c2C#N)CC=CCC1	2325780708	JPWQUBOBJPDBGU-AWEZNQCLSA-N	242.326	2.524	30	50	BFEA	
CCCC1=C(Br)C(=O)CC1	140127860	XYURTFJZFFNYTF-UHFFFAOYSA-N	203.079	2.798	30	50	BFEA	
CC(C)(C)OC(=O)NCCc1ccccc1C#N	140548775	WDNZFVXAIWZLHC-UHFFFAOYSA-N	246.310	2.625	30	50	BFEA	
C=CCn1c(N)nnc1SCCC(C)(C)C	187123626	JFILRSSLOCLCNE-UHFFFAOYSA-N	240.376	2.575	30	50	BFEA	
N#Cc1cc(F)cc(OC(F)(F)F)c1F	263624841	UPYQHYKDOYTBBQ-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
[N-]=[N+]=Nc1ccc(C2=S=C(C(=O)O)C=C2)cc1	725260988	DHAXRUXZOUGQMB-UHFFFAOYSA-N	245.263	2.709	30	50	BFEA	
CCCCCCCCSc1n[nH]c(N)n1	2573224	ZENVYDNEKHBMPM-UHFFFAOYSA-N	228.365	2.840	30	50	BFEA	
Cc1nc(C)c(CN2CCC[C@](C)(C#N)C2)s1	612166538	VLMVWJKNBNBCGH-CYBMUJFWSA-N	249.383	2.886	30	50	BFEA	
C=C(C)[C@@H]1CC[C@H](C)O[C@H]1CN1CCCC1	4029233	OESHVYGQGUCFKO-IHRRRGAJSA-N	223.360	2.842	30	50	BFEA	biogenic
N#CCc1cccc(OC(F)(F)F)c1F	36533790	ARBIPBYGYZWBDC-UHFFFAOYSA-N	219.137	2.790	30	50	BFEA	in-vitro
COc1nccc(NCc2ccccc2)c1C#N	19595267	OHMPBXVHHJFEID-UHFFFAOYSA-N	239.278	2.574	30	50	BFEA	
CC1(C)CCCc2sc(N)c(C#N)c21	86841741	RANGIXHAOGTFIH-UHFFFAOYSA-N	206.314	2.816	30	50	BFEA	
C=C[C@H]1CCCCN1C(=O)CC(F)(F)F	335389403	OHIIPRBBNNETDG-QMMMGPOBSA-N	221.222	2.506	30	50	BFEA	
C[C@H](N)C12C[C@H]3C[C@@H](CC(S)(C3)C1)C2	820723377	NASGBIMHXZIRHY-RSUGOBJVSA-N	211.374	2.602	30	50	BFEA	
CC(=O)c1ccc(C#N)c(Br)c1	40433996	RDSQFNDEGYBDJD-UHFFFAOYSA-N	224.057	2.523	30	50	BFEA	
CCC[C@@H](C)[C@@](C#N)(CC)C(=O)OCC	49588685	FOGOQVLUCORCHH-PWSUYJOCSA-N	211.305	2.906	30	50	BFEA	
C=CCS(=O)(=O)Nc1cccc2ccccc12	270926	OGYQVGXUKZRCMU-UHFFFAOYSA-N	247.319	2.768	30	50	BFEA	
C#C[C@H](C)OC(=O)Nc1cccc(Cl)c1	2036775	ULBXWWGWDPVHAO-QMMMGPOBSA-N	223.659	2.910	30	50	BFEA	biogenic,in-vitro
N#Cc1ccccc1-c1cccc(C(=O)O)c1	16947599	VRVHOPQLBGJNCG-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	in-vitro
C=CCSc1ncc(Br)cn1	86032227	WXSCROBWRJHOAC-UHFFFAOYSA-N	231.118	2.517	30	50	BFEA	
CC1(C(=O)/C=C/c2ccc3c(c2)OCCO3)CC1	169942356	DOHPDOXQRNKBHV-HWKANZROSA-N	244.290	2.840	30	50	BFEA	
C=C1[C@@H](O)CC[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12	238763085	LEEZDPXWPYCRRM-SFDCQRBFSA-N	238.371	2.891	30	50	BFEA	biogenic
COc1ccc([C@@H]2CC[C@@H]2NC[C@H](C)C#N)cc1	1616182401	PSFSVSSSLRJJIE-UGFHNGPFSA-N	244.338	2.690	30	50	BFEA	
CC1(C)CC(=O)C[C@@H]1B1OC(C)(C)C(C)(C)O1	1857787421	PJKFGEJUBYEDQU-JTQLQIEISA-N	238.136	2.838	30	50	BFEA	
COc1ccc(/C=C\C(=O)c2cccnc2)cc1	4566886	GBVFJQGIYDYHLE-TWGQIWQCSA-N	239.274	2.986	30	50	BFEA	
C=CCNC/C=C/COc1ccc(C)cc1	16622362	PSABLOGGPJVHPV-SNAWJCMRSA-N	217.312	2.706	30	50	BFEA	
Cc1ccc(Br)c(F)c1C#N	306978371	OHLAYODKKOFLJT-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	
C=CCOc1ccc(CNC(C)C)cc1	10436053	DVYPOZGBHCMTOG-UHFFFAOYSA-N	205.301	2.749	30	50	BFEA	
COc1cc(Cl)c(Br)cc1C#N	45957420	WGNXNQOFUQIOKQ-UHFFFAOYSA-N	246.491	2.983	30	50	BFEA	in-vitro
O=C(/C=C\c1cccc(O)c1)c1ccncc1	4566590	GCMCCZGESDGTJF-PLNGDYQASA-N	225.247	2.683	30	50	BFEA	
CC(C)(C)Nc1ccc(C#N)cc1[N+](=O)[O-]	6416996	GHVJGWCXLNQJJH-UHFFFAOYSA-N	219.244	2.677	30	50	BFEA	in-vitro
CC1(C)CC[C@H](C=O)N(C(=O)OC(C)(C)C)C1	616583214	XRUPEDVKHIJTTG-SNVBAGLBSA-N	241.331	2.611	30	50	BFEA	
O=C(/C=C/c1cccc(O)c1)c1ccccc1O	4252550	BLEVPIDFNNFTHJ-CMDGGOBGSA-N	240.258	2.994	30	50	BFEA	biogenic,in-vitro
O=C(/C=C/c1ccccc1)c1ccncc1	15768194	SVMJUKBSJNQUFP-VOTSOKGWSA-N	209.248	2.978	30	50	BFEA	
CC(C)Cc1ccc([N+](=O)[O-])cc1C#N	98086051	SYTVZDZXEXCQFF-UHFFFAOYSA-N	204.229	2.665	30	50	BFEA	
C[C@H](C#N)Sc1ncc(C(C)(C)C)o1	129966553	DLZIKHFRQOOQJV-SSDOTTSWSA-N	210.302	2.976	30	50	BFEA	
C[C@H](OC1=CC(=O)CCC1)C(=O)c1ccccc1	178964	XQVMTCUBXOWIPO-NSHDSACASA-N	244.290	2.911	30	50	BFEA	
SCc1cccc(Br)c1	4244656	LXEHTZZVGCUFCS-UHFFFAOYSA-N	203.104	2.879	30	50	BFEA	
CCCCCCCSCC(=O)OC	97972617	HTPKHJAVGQDPEF-UHFFFAOYSA-N	204.335	2.863	30	50	BFEA	
CC(C)=NOC(=O)Nc1cccc(C)c1	238240	MNKVHPDQFOMZBL-UHFFFAOYSA-N	206.245	2.939	30	50	BFEA	
N#CCn1ccc(-c2ccc(Cl)cc2)n1	2567196	BJXBZMXJVYRBHY-UHFFFAOYSA-N	217.659	2.727	30	50	BFEA	
COc1cc(CC#N)ccc1OC(C)C	77028290	QNDYSZLZQUROSI-UHFFFAOYSA-N	205.257	2.548	30	50	BFEA	in-vitro
C[C@@H]1CN(CCC#N)[C@H]1c1ccccc1	253603050	IHBGPAIJCXSXBC-DGCLKSJQSA-N	200.285	2.593	30	50	BFEA	
O=[N+]([O-])c1ccc(C=Nc2ccccn2)cc1	254616118	BFMMXVVVVKDLLR-UHFFFAOYSA-N	227.223	2.740	30	50	BFEA	
N#Cc1cnccc1C=Cc1ccc(O)c(F)c1	1857529696	JBQYAJQNLXDXTB-UHFFFAOYSA-N	240.237	2.968	30	50	BFEA	
C=CCONC(=O)Nc1ccccc1Cl	3076061	CFMMRWCXRUCLQN-UHFFFAOYSA-N	226.663	2.579	30	50	BFEA	
CCCCNC(=O)ON=C1CCCCC1	4583060	KGFKWTLTGNZRIQ-UHFFFAOYSA-N	212.293	2.833	30	50	BFEA	
Cc1nn(C)cc1C(=O)/C=C/c1cccc(F)c1	6527245	ODKVTBBQVIHVNR-VOTSOKGWSA-N	244.269	2.764	30	50	BFEA	
C=CCOc1cc(Cl)c(C(=O)O)cc1OC	16448928	MFVYINNGHWWNTK-UHFFFAOYSA-N	242.658	2.612	30	50	BFEA	
C[C@@H]1CC(=O)C=C(B2OC(C)(C)C(C)(C)O2)C1	202242562	KQLGMNXGSZJBMG-VIFPVBQESA-N	236.120	2.543	30	50	BFEA	
C=CC(=O)N[C@@H](C(=C)C)c1ccc(F)c(F)c1	1120461881	MRPWKTFHTKLABF-ZDUSSCGKSA-N	237.249	2.884	30	50	BFEA	
C[C@@H]1CCC(=O)C2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@]21C	1772820417	GUEXXPFDDWZAAQ-QYIBJPSASA-N	232.323	2.773	30	50	BFEA	
C=CCNC(=O)c1c(Cl)cccc1Cl	2114868	WIJJUATXYZPQPD-UHFFFAOYSA-N	230.094	2.909	30	50	BFEA	
O=C1ON=C(c2ccccc2)/C1=C/c1ccco1	4482266	XHXFSCFVKOCKSR-XFXZXTDPSA-N	239.230	2.624	30	50	BFEA	
C=CCNCc1nc(-c2ccc(Cl)cc2)no1	4487197	GEUWGBLPUIZVDB-UHFFFAOYSA-N	249.701	2.666	30	50	BFEA	
CC/N=C(/S)Nc1cccc(F)c1C	13496996	NYRXKVCMOJHUFL-UHFFFAOYSA-N	212.293	2.852	30	50	BFEA	
COc1ccc(NC2=CC(=O)CCC2)c(OC)c1	17723283	NIINDONIQBXDPW-UHFFFAOYSA-N	247.294	2.753	30	50	BFEA	
CS/C(=N/C#N)Nc1ccc(C)cc1	39255600	ZQERTWOJISUONU-UHFFFAOYSA-N	205.286	2.607	30	50	BFEA	
N#Cc1cc(F)ccc1N1CCCCC1	71508885	LYVDRCWSALCYHG-UHFFFAOYSA-N	204.248	2.688	30	50	BFEA	
O=CC12c3ccccc3[C@H]3C1[C@@H]3c1ccccc12	101043432	MAIJIHLVZUMKDO-NUWOQIAWSA-N	232.282	2.996	30	50	BFEA	
CCc1ccc([C@@]2(CC)O[C@@H]2C#N)cc1	307233126	POYRWLYNONPPEL-CHWSQXEVSA-N	201.269	2.777	30	50	BFEA	
Cc1coc(C)c1/C(O)=N/CCn1cccc1	328590341	AOIRMBSFBPGBII-UHFFFAOYSA-N	232.283	2.703	30	50	BFEA	
CC1(C)OB(C#Cc2cccs2)OC1(C)C	169952323	AXPMFQSZPYQNEJ-UHFFFAOYSA-N	234.129	2.731	30	50	BFEA	
COC(=O)[C@]1(C)O[C@]12C[C@@H](C)CC(C)(C)C2	227199623	PKPFVDFQTSVDKN-XDTLVQLUSA-N	226.316	2.533	30	50	BFEA	
N#Cc1ccc(NC(=O)c2ccccc2)cc1	186568	BXZUKYCXOQHJAM-UHFFFAOYSA-N	222.247	2.811	30	50	BFEA	
C=C1C(=O)O[C@H]2[C@H]1CC/C(C)=C/CC[C@@]1(C)O[C@H]21	4492886	KTEXNACQROZXEV-PVLRGYAZSA-N	248.322	2.762	30	50	BFEA	biogenic,in-vitro
CC[C@@H]1CCc2c(sc(N)c2C#N)C1	35876	UJSSIVVJQQNBCO-SSDOTTSWSA-N	206.314	2.717	30	50	BFEA	in-vitro
CC(C)(C#N)c1ccc(Br)cn1	26896171	LCFRTRIRICENNR-UHFFFAOYSA-N	225.089	2.645	30	50	BFEA	in-vitro
N#Cc1c(N)c(Cl)cc(Cl)c1F	31829572	WVAYFCJXIZINLC-UHFFFAOYSA-N	205.019	2.586	30	50	BFEA	
Cc1ccc(N/N=C2\CCCCC2=O)cc1	100036347	SVFSFFXAWSSMEM-NTCAYCPXSA-N	216.284	2.906	30	50	BFEA	
C=C(C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1	120948573	LPHWBDUCQIXXJL-JTQLQIEISA-N	220.272	2.822	30	50	BFEA	
N#Cc1ccc(CNc2ccc(Cl)cn2)o1	191935305	YARUHACPUYOPGV-UHFFFAOYSA-N	233.658	2.812	30	50	BFEA	
N#CCc1ccc2cc(CC#N)ccc2c1	68689	RZWVWBONNSEWDU-UHFFFAOYSA-N	206.248	2.972	30	50	BFEA	
C=C(C)CN(CC)Cc1ccc([N+](=O)[O-])cc1	215937	QZVQBDLZDTVALB-UHFFFAOYSA-N	234.299	2.993	30	50	BFEA	
C=CCOC(F)(F)[C@H](F)C(F)(F)F	2584542	ADXLBHULARLUSE-SCSAIBSYSA-N	208.101	2.682	30	50	BFEA	in-vitro
C=C/C(O)=N/C[C@H](C)c1c(C)noc1C	328594392	HFANNBCGIMZATM-ZETCQYMHSA-N	208.261	2.537	30	50	BFEA	
Cc1nc2ccccc2cc1OC[C@]1(C)CO1	1875324805	BNTSITNVZKELPS-CQSZACIVSA-N	229.279	2.711	30	50	BFEA	
CCOC(=O)C[C@H](C#N)c1ccc(Cl)cc1	39387392	XEZYVIMQKOFWRH-SNVBAGLBSA-N	237.686	2.900	30	50	BFEA	
C[Si](C)(C)C#Cc1ccc(Cl)nc1	169794036	CGJKMVMYUJVZRQ-UHFFFAOYSA-N	209.752	2.964	30	50	BFEA	in-vitro
N#Cc1c2c(nc3ccccc13)CCCC2	1301176	VEHATGLGJQJYIM-UHFFFAOYSA-N	208.264	2.985	30	50	BFEA	
N#CCCc1cc([N+](=O)[O-])ccc1Cl	2166756	YMPSOFPFXGJJEG-UHFFFAOYSA-N	210.620	2.704	30	50	BFEA	
Cc1ccc(-c2ccccc2/C(N)=N/O)cc1	60142034	QJFADABYPQMCIF-UHFFFAOYSA-N	226.279	2.757	30	50	BFEA	
C=CCN[C@H](C)c1ccccc1N(C)C	130669094	BQXKIDHGLAIANS-LLVKDONJSA-N	204.317	2.589	30	50	BFEA	
C=CCOP(OCC=C)OCC=C	1676907	KJWHEZXBZQXVSA-UHFFFAOYSA-N	202.190	2.821	30	50	BFEA	
N#CC1(c2ccc(F)cc2)CCC(=O)CC1	6092782	FNWWTNNFZGBMEM-UHFFFAOYSA-N	217.243	2.730	30	50	BFEA	in-vitro
CC(=O)/C(Cl)=N\Nc1cccc(C)c1	104499246	GNRUGHRKUSMOBX-JLHYYAGUSA-N	210.664	2.548	30	50	BFEA	
CC(C)(C)SCCN1CCC(C#N)CC1	252486114	HHJPKQJGCJTYJB-UHFFFAOYSA-N	226.389	2.754	30	50	BFEA	
C=C/C(O)=N/C[C@@H](C)c1c(C)noc1C	328594391	HFANNBCGIMZATM-SSDOTTSWSA-N	208.261	2.537	30	50	BFEA	
C=CCSCc1nc2ccccc2[nH]1	2715349	FTVDNBQLLGCSIS-UHFFFAOYSA-N	204.298	2.982	30	50	BFEA	
CN(C)[C@H](C#N)c1ccccc1Br	16124307	HYRRJFUQMCBRMD-SNVBAGLBSA-N	239.116	2.575	30	50	BFEA	
N#Cc1ccc(CN[C@@H]2CCCC[C@H]2F)o1	335630712	FQGGTUHODHVXLT-VXGBXAGGSA-N	222.263	2.522	30	50	BFEA	
CC[C@H](C#N)C(=O)Nc1ccc(C(F)F)nc1	1875295778	QDKMRHHDKGMSGI-SSDOTTSWSA-N	239.225	2.507	30	50	BFEA	
COC(OC)c1cncc(C#C[Si](C)(C)C)c1	169794051	OZASIYDGVNBWMZ-UHFFFAOYSA-N	249.386	2.602	30	50	BFEA	
CCO[C@@H]1C[C@H](N[C@H](CC)CC#N)C12CCC2	225244463	SAIPQXUFAYWMCZ-FRRDWIJNSA-N	236.359	2.616	30	50	BFEA	
COc1ccc2nc(Cl)c(C#N)cc2c1	422210	AMFXVCDHDIEGIM-UHFFFAOYSA-N	218.643	2.768	30	50	BFEA	in-vitro
C=CCNC(=O)c1ccc(C)cc1Cl	2178233	IRCJIYSEDRCBFP-UHFFFAOYSA-N	209.676	2.564	30	50	BFEA	
C=CCNc1oc(Cc2ccccc2)nc1C#N	5027922	DTEDBOPSBJHBDR-UHFFFAOYSA-N	239.278	2.735	30	50	BFEA	
C=CCNC/C=C/COc1ccccc1C	16623134	AOZKDUNEMBQCHU-VOTSOKGWSA-N	217.312	2.706	30	50	BFEA	
CCC(=O)[C@@H](C#N)c1ccc(Cl)cc1	22054883	NKRGJBDEEGULAN-JTQLQIEISA-N	207.660	2.926	30	50	BFEA	in-vitro
Cc1ccc(/C=N\Nc2nccs2)cc1	31854336	NTYMVVDYISLIGU-JYRVWZFOSA-N	217.297	2.898	30	50	BFEA	
N#Cc1ccc(-c2cccc(C=O)c2)cc1O	65341311	ORIFYTFYZTXXMJ-UHFFFAOYSA-N	223.231	2.743	30	50	BFEA	
CC1(C)OB(c2coc3ccccc23)OC1(C)C	169807944	JSWDWMBIBSINSL-UHFFFAOYSA-N	244.099	2.732	30	50	BFEA	in-vitro
CC1(C)OB(c2cccc3occc23)OC1(C)C	199715309	QHBWRIRRPKKWSW-UHFFFAOYSA-N	244.099	2.732	30	50	BFEA	
O=[N+]([O-])c1cccc(C=Nc2ccccn2)c1	252394570	UJDGGSJKGFHUBU-UHFFFAOYSA-N	227.223	2.740	30	50	BFEA	
C[C@H]1CC[C@H](C)[S+]1c1cc(O)ccc1O	4084818	OJTVJPHOXXMYQX-IUCAKERBSA-O	225.333	2.646	30	50	BFEA	
N#Cc1c(-c2cccs2)csc1N	5582481	OMMDPTFXYBRCBW-UHFFFAOYSA-N	206.295	2.930	30	50	BFEA	
C=CCSc1nc(C)c(CCCC)c(=O)[nH]1	8767753	FUEPHCALQKUQJU-UHFFFAOYSA-N	238.356	2.699	30	50	BFEA	
CCCCN(CC#C/C(C)=C/CO)CCCC	22215392	IYPVXGPQKZYCDE-XNTDXEJSSA-N	237.387	2.831	30	50	BFEA	
CCCCCCCC(=O)N[C@H]1CCCC[C@@H]1O	100661808	WYTIAVOLLZDODA-STQMWFEESA-N	241.375	2.767	30	50	BFEA	
C#CC1(O)CCN([C@@H](C)c2cccc(C)c2)CC1	585133532	LBKFSYPHPZPPKO-AWEZNQCLSA-N	243.350	2.516	30	50	BFEA	
COc1ccc(CN/C=C2/CCCCC2=O)cc1	3957493	ZZFLIDVGKWNAMP-QBFSEMIESA-N	245.322	2.812	30	50	BFEA	
C=CCOc1ccc(C(=O)CC)cc1OC	2322227	NJZSOFPZLSKDGL-UHFFFAOYSA-N	220.268	2.853	30	50	BFEA	
O=C(O)c1ccc(C#Cc2ccccc2)cc1	4299335	OGZUGPOTBGMCLE-UHFFFAOYSA-N	222.243	2.785	30	50	BFEA	
N#CCC(=O)Nc1nc(-c2ccccc2)cs1	6242782	UBFLHMNQIQMLKX-UHFFFAOYSA-N	243.291	2.662	30	50	BFEA	
C/C(=N\O)c1cccc(-n2cccc2)c1	12356680	XDGZSGIGBYNFFS-JLHYYAGUSA-N	200.241	2.676	30	50	BFEA	
C=CCN[C@@]1(c2cccs2)CCCCC1=O	96027867	MKGQQPZQNLMNMD-ZDUSSCGKSA-N	235.352	2.862	30	50	BFEA	
C=C(C)C(C)(C)C(=O)N[C@@H]1CC[C@@H](F)C1	335090588	HAQOOWSWGVKINL-NXEZZACHSA-N	213.296	2.596	30	50	BFEA	
Cc1cc(-n2nc(C)c(C#N)c2N)ccc1Cl	604941597	RRYNWZYZXIWXNG-UHFFFAOYSA-N	246.701	2.596	30	50	BFEA	
N#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	6221917	OCQMLFSLIFFXDG-UHFFFAOYSA-N	214.180	2.726	30	50	BFEA	
N#Cc1cc(OCc2ccccc2)ccn1	61815253	KHDORVLVNIOXJY-UHFFFAOYSA-N	210.236	2.532	30	50	BFEA	in-vitro
COCc1c(C)cc(C)c(/C=N/O)c1C	100286965	HCBLOYKLVUIIJX-AWNIVKPZSA-N	207.273	2.566	30	50	BFEA	
Cc1cc(COc2ccc(C#N)cc2F)no1	134298511	KHQXCGACDWZIOO-UHFFFAOYSA-N	232.214	2.573	30	50	BFEA	
COCC1(CNc2cc(C#N)ccn2)CCCC1	450920618	ZAJQGLALAGDKPP-UHFFFAOYSA-N	245.326	2.572	30	50	BFEA	
CCOc1nsc(SCC)c1C#N	4728131	JKFNVWGKOYSUDI-UHFFFAOYSA-N	214.315	2.525	30	50	BFEA	
N/C(S)=N\Nc1cc(Cl)cc(Cl)c1	8580391	KJLLDURTKFHSJE-UHFFFAOYSA-N	236.127	2.565	30	50	BFEA	
COc1ccc(OC)c(-c2ncccc2C#N)c1	67677879	ZLQFVDJGNBZCOQ-UHFFFAOYSA-N	240.262	2.637	30	50	BFEA	
C=CCNC/C(O)=N/C1C2CC3CC(C2)CC1C3	82124237	YOVUBGGGLXMHKL-UHFFFAOYSA-N	248.370	2.543	30	50	BFEA	
N#Cc1cccc(NCCC[C@H]2CCCCO2)n1	186077103	IQYHKAZJORDMHO-CYBMUJFWSA-N	245.326	2.714	30	50	BFEA	
N#Cc1ccc(N2CC[C@H]3CCCC[C@H]32)cn1	228210078	BRJWPDFYJITRHT-BXUZGUMPSA-N	227.311	2.722	30	50	BFEA	
Cc1cccc(CCN2CCC[C@](C)(C#N)C2)n1	592101841	UASVNSQRAIXBRL-OAHLLOKOSA-N	243.354	2.558	30	50	BFEA	
CC(=O)Nc1ccc2ccccc2c1C#N	345556	FDTWGIMHPCGOJX-UHFFFAOYSA-N	210.236	2.670	30	50	BFEA	
CCOc1ccc(Br)cc1C#N	1007408	RNRDIQJUDTUNEN-UHFFFAOYSA-N	226.073	2.719	30	50	BFEA	in-vitro
N#CCCn1c(=S)oc2ccccc21	2871119	OYWAZTQTBZTSAC-UHFFFAOYSA-N	204.254	2.877	30	50	BFEA	
Cn1cc(Oc2ccc(Cl)cc2C#N)cn1	227940524	YJQOZRLTVQFBLB-UHFFFAOYSA-N	233.658	2.737	30	50	BFEA	
C[C@]1(c2ccc(Br)cc2)O[C@@H]1C#N	306361675	QDEZPKYZQTVANL-NXEZZACHSA-N	238.084	2.587	30	50	BFEA	
c1nc(-c2ccc(OC[C@H]3CO3)cc2)cs1	1875378463	DIIQQMNVVJMJDP-NSHDSACASA-N	233.292	2.588	30	50	BFEA	
Cc1cc(C)c[n+](CC(=O)c2ccc(F)cc2)c1	1880384	OBJKZJQMXXMUFZ-UHFFFAOYSA-N	244.289	2.613	30	50	BFEA	
N#CCCNc1ccc(Br)cc1	2166006	CVHHKMGRKXSRKO-UHFFFAOYSA-N	225.089	2.775	30	50	BFEA	
Cc1ccc(C(=O)/C=C/C=C/N(C)C)cc1	55484582	DYWHVJSMLDFDOH-KGUOMNFLSA-N	215.296	2.809	30	50	BFEA	
O=C(/C=C\c1ccc(O)cc1)c1cccnc1	4566592	IYPHTBFFSWNNED-YVMONPNESA-N	225.247	2.683	30	50	BFEA	
Nc1ccc(C(=O)/C=C/c2cccnc2)cc1	5420935	XNRPHFPVYAZSBF-FPYGCLRLSA-N	224.263	2.560	30	50	BFEA	
CC1(C)OB(/C=C/C(F)(F)F)OC1(C)C	206095138	LSQJLEDIJPQESE-AATRIKPKSA-N	222.015	2.736	30	50	BFEA	
O=[N+]([O-])c1ccc(-c2ccc(/C=N/O)o2)cc1	4992046	HPAWHLYTSAIGMS-KPKJPENVSA-N	232.195	2.663	30	50	BFEA	
N#Cc1ccc2nccc(Br)c2c1	49582008	GFHZKMVPIQRHHT-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
NC(=O)c1ccc(C#CCC2CCCC2)s1	1506407092	MDYXZKCDGLKEPK-UHFFFAOYSA-N	233.336	2.779	30	50	BFEA	
O=C(/C=N/O)c1ccc(Cl)cc1Cl	262294	JQMDFQFZPLWFBE-NYYWCZLTSA-N	218.039	2.636	30	50	BFEA	
O=C(c1ccccc1)N(O)c1ccccc1	402743	YLYIXDZITBMCIW-UHFFFAOYSA-N	213.236	2.723	30	50	BFEA	in-vitro
O=C1C(=O)c2ccccc2/C1=C/c1ccccc1	22781902	YOFNCPDSUQUNBQ-UVTDQMKNSA-N	234.254	2.993	30	50	BFEA	
C=CCNc1ccccc1C(=O)N1CCC[C@@H]1C	65503622	DAWDBCJSIJDLTJ-LBPRGKRZSA-N	244.338	2.909	30	50	BFEA	
C[C@H]1C[C@@H](C#N)CCN1C(=O)OC(C)(C)C	144012304	XXKVWQNGTUSFSH-UWVGGRQHSA-N	224.304	2.546	30	50	BFEA	
C#CCN(C)Cc1csc(C2CCCC2)n1	192238397	BSGKQPUHDNBQAZ-UHFFFAOYSA-N	234.368	2.866	30	50	BFEA	
N#CC(C#N)c1ncc(C(F)(F)F)cc1Cl	169459	VTOFPCYTNQCBJU-UHFFFAOYSA-N	245.591	2.885	30	50	BFEA	
C=CCOc1ccccc1OCCN(CC)CC	4842754	SARSRAGWCZCZDB-UHFFFAOYSA-N	249.354	2.972	30	50	BFEA	
C#CCOC(=O)Nc1cccc(C(F)(F)F)c1	5826405	LWRVWVXJOOCGQM-UHFFFAOYSA-N	243.184	2.887	30	50	BFEA	
C=CCNc1nc(-c2ccncc2)cs1	5848731	AGBJSRBGYGJNLA-UHFFFAOYSA-N	217.297	2.803	30	50	BFEA	
N/C(=N\c1ccccc1)c1ccc([N+](=O)[O-])cc1	96026726	CGHFZKMZCISGOY-UHFFFAOYSA-N	241.250	2.632	30	50	BFEA	
C[Si](C)(C)C#Cc1cccnc1Cl	169794037	SBSZJRBQSBKNGE-UHFFFAOYSA-N	209.752	2.964	30	50	BFEA	in-vitro
N#CCCCCN1CCC[C@@H]1c1ccc[nH]1	169975434	GYBFWVBWDAPOOK-CYBMUJFWSA-N	217.316	2.845	30	50	BFEA	
Cc1cc(/C(O)=N/C[C@@H]2CC[C@@H](C)C2)cc(O)n1	331060296	BRANEHKNDHBBRR-MWLCHTKSSA-N	248.326	2.836	30	50	BFEA	
N#CCc1ccc(-c2cscn2)cc1	669380926	TVKUNNUFNSREEG-UHFFFAOYSA-N	200.266	2.876	30	50	BFEA	
CCCCNc1ccc(C#N)cc1[N+](=O)[O-]	6203841	ZTZCOPOIQUGTNK-UHFFFAOYSA-N	219.244	2.678	30	50	BFEA	in-vitro
C=C(C)[C@H]1CC=C(CN2CCC[C@@H](O)C2)CC1	23281831	WDPXODBODZAIGF-LSDHHAIUSA-N	235.371	2.746	30	50	BFEA	
C(=N\n1cnc2ccccc21)\c1ccccc1	348757	OPGLONOADIEPAF-YBEGLDIGSA-N	221.263	2.919	30	50	BFEA	
C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@H]12	4098225	RBRPTFMVULVGIC-ZTIIIDENSA-N	246.306	2.586	30	50	BFEA	biogenic,in-vitro
N#Cc1cc(F)ccc1OCCN1CCCCC1	111037233	MSPLRIRFYUCCHA-UHFFFAOYSA-N	248.301	2.562	30	50	BFEA	
N#Cc1cncc(N2CCCC[C@H]2C2CCC2)n1	585089054	CADGQWQIVVDHHS-ZDUSSCGKSA-N	242.326	2.507	30	50	BFEA	
O=C1C=C(c2ccccc2)C1(Cl)Cl	1665557	JQIUAKCMZXIOFM-UHFFFAOYSA-N	213.063	2.827	30	50	BFEA	
Cc1cc[n+](CC(=O)c2ccc(Cl)cc2)cc1	3130513	JXOAYSBMTLOMDC-UHFFFAOYSA-N	246.717	2.819	30	50	BFEA	
N#Cc1c[nH]c2ccc(Br)cc12	4690389	ZPUQCVKBNRGSAP-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	in-vitro
C=C1CCN(C(=O)OCc2ccccc2)CC1	34577225	FQLKVNIQHUASLU-UHFFFAOYSA-N	231.295	2.975	30	50	BFEA	in-vitro
C=C(C)C[C@H]1CC[C@@](C)(C(=O)OCC)C1=O	43214754	VVLWKFBAMQZYFB-ZWNOBZJWSA-N	224.300	2.501	30	50	BFEA	
C[Si](C)(C)C#Cc1cnccc1Cl	169794141	GPODELODEGHSTC-UHFFFAOYSA-N	209.752	2.964	30	50	BFEA	in-vitro
CCCC[C@@H](C)C(=O)N(C)c1cc(C#N)ccn1	253395902	VCKCZICHWAGNKY-LLVKDONJSA-N	245.326	2.742	30	50	BFEA	
CC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1	74570	FHKLGEQKLMMVCZ-UHFFFAOYSA-N	228.173	2.535	30	50	BFEA	in-vitro
C=C(CC)C[C@]1(C(=O)OC)C(=O)CC[C@H]1C	43762253	SPJZHRHQGLPOIV-ZWNOBZJWSA-N	224.300	2.501	30	50	BFEA	
C=C[C@@](O)(c1ccccc1)C(F)(F)F	4284370	QZTXJLLJGFCKCH-SECBINFHSA-N	202.175	2.623	30	50	BFEA	
O/N=C1\CC[C@H]2CN(C3CCCCC3)C[C@@H]2C1	169311754	LTSLFNBPLYFMAG-NWKFZWBHSA-N	236.359	2.881	30	50	BFEA	
Cc1c(C#N)c(N)n(Cc2ccccc2)c1C	3883219	RJDOFGRDZKVLTM-UHFFFAOYSA-N	225.295	2.607	30	50	BFEA	in-vitro
C/C(=C\C(=O)c1ccccc1)N1CCCC1	13406382	YGOUMBZNIBHPBM-VAWYXSNFSA-N	215.296	2.869	30	50	BFEA	
CCC/N=C(\C)C1C(=O)c2ccccc2C1=O	13756620	XCKFQWFXNYZRQC-OQLLNIDSSA-N	229.279	2.553	30	50	BFEA	
CC(=O)c1cc(CN2CCC[C@H](C#N)C2)cs1	97655419	FYCLCUXQBCUILV-LLVKDONJSA-N	248.351	2.686	30	50	BFEA	
CC(C)(C)OC(=O)N1Cc2cccc(C#N)c2C1	147738950	UBZSASIIBDEUJP-UHFFFAOYSA-N	244.294	2.809	30	50	BFEA	in-vitro
CO[C@]1(C)CCCN(c2ccc(C#N)cc2)C1	230264598	UNFYVADSNKTMBQ-CQSZACIVSA-N	230.311	2.564	30	50	BFEA	
COc1ccc(C(C)C)cc1OC[C@H]1CO1	1875378389	BNIVUSDKEGTLSR-LLVKDONJSA-N	222.284	2.596	30	50	BFEA	
COc1cccnc1-c1ccccc1C#N	32553545	UXKJPQXYHOEIEN-UHFFFAOYSA-N	210.236	2.629	30	50	BFEA	
N#Cc1cc(Cl)nc(C(F)(F)F)c1	71863943	DKJFUZIDAHUIJV-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	in-vitro
CO[C@H]1CC=C(B2OC(C)(C)C(C)(C)O2)CC1	202718508	PUJKAJRQPDUAFS-NSHDSACASA-N	238.136	2.743	30	50	BFEA	
CC(C)Oc1cccc(OC[C@H]2O[C@H]2C)c1	1875325067	HNZJJBYWLBMRGZ-GXFFZTMASA-N	222.284	2.640	30	50	BFEA	
CCc1cc(CC)c(CO)c(CC)c1/C=N/O	271602	BBHDVUIOGNDJGN-OVCLIPMQSA-N	235.327	2.674	30	50	BFEA	
CCCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1	170152045	WQUCCSKISHNGKO-UHFFFAOYSA-N	246.159	2.938	30	50	BFEA	
C=C[C@@H](C)NC(=O)c1c(F)cccc1Cl	335686319	NGDCXOYHIHPENB-SSDOTTSWSA-N	227.666	2.783	30	50	BFEA	
Cc1ccc(C(=O)/C=C\NC(C)C)cc1	2325809626	QLDNZRWDEMFZMS-HJWRWDBZSA-N	203.285	2.689	30	50	BFEA	
CSc1nc(C(F)(F)F)ccc1C#N	4052768	BVVISEWICREHLG-UHFFFAOYSA-N	218.203	2.694	30	50	BFEA	
CCCOc1nsc(SC)c1C#N	4593429	ZTDJJQWYBKPIRZ-UHFFFAOYSA-N	214.315	2.525	30	50	BFEA	
C=Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1	169807635	BXAMYNCWLIRUPU-UHFFFAOYSA-N	230.116	2.629	30	50	BFEA	in-vitro
C=C(C)C[C@@H](C)C(=O)N=c1[nH][nH]c(C(C)C)c1C	585089952	PJNBYQGYIMNPJS-SNVBAGLBSA-N	249.358	2.804	30	50	BFEA	
N#C[C@]12CCCC[C@H]1CCC1(C2)OCCO1	393197	XDZWVZVEAHGFPL-NWDGAFQWSA-N	221.300	2.614	30	50	BFEA	
CC(C)(C)OC(=O)c1ccc(C#N)cc1	1704876	PBGZJUKYAHDTND-UHFFFAOYSA-N	203.241	2.514	30	50	BFEA	in-vitro
Cc1nc(Cl)c(C#N)cc1Br	82298273	LVZAACVPURBIGE-UHFFFAOYSA-N	231.480	2.678	30	50	BFEA	in-vitro
C=CCCNc1ccccc1N1CCC(O)CC1	252549288	RCGJGJJYVBZSJH-UHFFFAOYSA-N	246.354	2.636	30	50	BFEA	
C#C[C@@](C)(CC)NC(=O)Cc1ccc(Cl)cc1	100194	YHKJMJLZAYRJFX-AWEZNQCLSA-N	249.741	2.801	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCC[C@H]2CO)CC1	8553312	FGWKUVQCXOEULL-GJZGRUSLSA-N	235.371	2.746	30	50	BFEA	
O=C1/C(=C\c2ccco2)Nc2ccccc21	17728985	OQJBUPWGSLGLEH-XYOKQWHBSA-N	211.220	2.929	30	50	BFEA	
C=C(C)C[C@@H]1CC[C@](C)(C(=O)OCC)C1=O	43214757	VVLWKFBAMQZYFB-GWCFXTLKSA-N	224.300	2.501	30	50	BFEA	
C[C@H](Nc1ccc(C#N)cc1Cl)C(C)(C)O	235566295	CGWSGXCUKNBJIA-QMMMGPOBSA-N	238.718	2.783	30	50	BFEA	
c1ccc(Oc2ccc(OC[C@H]3CO3)cc2)nc1	1875378374	BGQLRSYHHXRDEF-ZDUSSCGKSA-N	243.262	2.652	30	50	BFEA	
N#CCc1ccc(NC[C@@H]2CCSC2)cc1	224352377	ADQWKJTVTQBIQT-LBPRGKRZSA-N	232.352	2.918	30	50	BFEA	
Cc1cc(C)c([C@]2(C)O[C@@H]2C#N)c(C)c1	306449610	AUSKDPCYHIVXKT-DGCLKSJQSA-N	201.269	2.749	30	50	BFEA	
COc1ccccc1NC1=C(C)C(=O)CC1	287530	DIAOODYYHKXOFZ-UHFFFAOYSA-N	217.268	2.744	30	50	BFEA	
N#Cc1ccccc1CSc1ncccn1	617068	DGIMWYIYHJXLKX-UHFFFAOYSA-N	227.292	2.641	30	50	BFEA	
CCCCCCCCCNC(=O)NC	193165621	MBZFRNDYYPOMKK-UHFFFAOYSA-N	200.326	2.666	30	50	BFEA	
C#CCOc1c(CC=C)cc(C=O)cc1OCC	2983736	ZCKGXMJPBNJXJS-UHFFFAOYSA-N	244.290	2.638	30	50	BFEA	
Cc1nc(Cl)cc(N/N=C/c2ccccc2)n1	4947074	IGWBPWFSILJXIL-RIYZIHGNSA-N	246.701	2.884	30	50	BFEA	
CCOc1ccc(/C=N/O)cc1Br	16692120	DADXKRGJXABYHA-IZZDOVSWSA-N	244.088	2.656	30	50	BFEA	
O/N=C1\CCc2ccc(Br)cc21	114177725	AAKSFBFMXXWCSH-PKNBQFBNSA-N	226.073	2.574	30	50	BFEA	
C#CC1CCN(C(=O)OCc2ccccc2)CC1	307679853	NPQOOIHCWGQKNH-UHFFFAOYSA-N	243.306	2.668	30	50	BFEA	
C=CCNC(=S)Nc1cc(C)cc(C)c1	2994580	MHZOYNKHPVSPPK-UHFFFAOYSA-N	220.341	2.776	30	50	BFEA	
N#CC1(CC2CC2)CCC2(CC1)OCCO2	116495991	ADFQRLFDDKIGAG-UHFFFAOYSA-N	221.300	2.614	30	50	BFEA	in-vitro
O=C1C=C[C@@H]2C[C@]34C=CC[C@@H]3CC[C@@H]4[C@@H]12	216489106	GZYCIIFSGMYZDD-KLKTVBQGSA-N	200.281	2.734	30	50	BFEA	
ON=C1[C@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2	252462557	UEMQBUNIAKDORY-RWMBFGLXSA-N	236.359	2.881	30	50	BFEA	
C=CCCCCCN1CC[S@@](=O)CC[C@@H]1C	328587677	FBSSBVXFSQVUCN-BBRMVZONSA-N	243.416	2.576	30	50	BFEA	
CC1(C)OB(C2[C@H]3CCC[C@H]23)OC1(C)C	1772770344	KNOPKUHEOKRHAB-IUCAKERBSA-N	208.110	2.879	30	50	BFEA	
O=C(C#CC1CCC1)N1CC[C@H]2CCC[C@@H](C2)C1	2325783222	FDBZXSQLOMGCCZ-CABCVRRESA-N	245.366	2.829	30	50	BFEA	
C=CCNC(=O)Cc1coc2c(C)c(C)ccc12	8316677	ZGNYMJMYONZIAN-UHFFFAOYSA-N	243.306	2.894	30	50	BFEA	
C=CCN1C(=O)S/C(=C\c2ccc(C)o2)C1=O	12406978	INYDXLLXTAASCF-YFHOEESVSA-N	249.291	2.810	30	50	BFEA	
CCCCCCCCCNC(N)=S	101367926	DOXBODWJDNHQOS-UHFFFAOYSA-N	202.367	2.570	30	50	BFEA	
CC#CCCN1CCO[C@H](c2ccccc2F)C1	155372313	CMYDLCMMHNOGPR-HNNXBMFYSA-N	247.313	2.612	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@]1(C)C(C)(C)C	212046247	LXPBJSGLJNJYAI-OLZOCXBDSA-N	228.332	2.923	30	50	BFEA	
COc1ncnc(C)c1C#CCC1CCCC1	1506405509	BZTVUMAUKRSMKP-UHFFFAOYSA-N	230.311	2.725	30	50	BFEA	
COc1ccc(Oc2cccc(C#N)c2)cn1	1800413414	GTGMBTYOJMSPTD-UHFFFAOYSA-N	226.235	2.754	30	50	BFEA	
N#C[C@@H](c1ccccc1)c1ccc(Cl)nn1	169380	AVFQUMVXIBTANI-JTQLQIEISA-N	229.670	2.785	30	50	BFEA	in-vitro
CC(C)(C)CC(=O)Nc1cccc(C#N)c1	311179	DIYWFUHFQDBALD-UHFFFAOYSA-N	216.284	2.933	30	50	BFEA	
N#Cc1c[nH]c2cccc(Br)c12	4198782	PMIGAISGWPTELT-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	in-vitro
CCCC/N=C(/S)NC1CCCC1	8682769	XRDGYGHZLJGCFX-UHFFFAOYSA-N	200.351	2.605	30	50	BFEA	
Cc1ccc(NC(=O)CC#N)c(Cl)c1	20471427	RTKKFUWRRABMTM-UHFFFAOYSA-N	208.648	2.501	30	50	BFEA	
Cc1cc(-c2cnccc2C=O)ccc1C#N	117052646	MGJUIKRXVZTIJJ-UHFFFAOYSA-N	222.247	2.741	30	50	BFEA	
N#Cc1ncc(OCC2CCCCCC2)cn1	330200735	WWGTXXJPEIFRAW-UHFFFAOYSA-N	231.299	2.697	30	50	BFEA	
Fc1cc(OC[C@@H]2CO2)cc(-c2cccnc2)c1	1875390090	WHLWDAYTAWRDFW-CQSZACIVSA-N	245.253	2.665	30	50	BFEA	
N#Cc1ccc(OC(=O)c2ccccc2)cc1	398738	PRDZROBDMPYWMJ-UHFFFAOYSA-N	223.231	2.777	30	50	BFEA	
N#Cc1cccc(NCc2cncc(F)c2)c1	230954823	WCEFBYVUZFVXQI-UHFFFAOYSA-N	227.242	2.704	30	50	BFEA	
N#CCSc1ncnc2c1oc1ccccc12	2412023	HHSVCIDQPKNSLW-UHFFFAOYSA-N	241.275	2.992	30	50	BFEA	
CCN(CC)C/C(C)=N\Nc1ccccc1	13477083	SHBRHXIRAAZLAA-OWBHPGMISA-N	219.332	2.816	30	50	BFEA	
N#CCCCCN1CCC[C@H]1c1ccc[nH]1	169975429	GYBFWVBWDAPOOK-ZDUSSCGKSA-N	217.316	2.845	30	50	BFEA	
O=C([C@@H]1CO1)N1CCCCC[C@H]1c1ccccc1	1875372919	PUKDCIFGWKTEPV-KBPBESRZSA-N	245.322	2.529	30	50	BFEA	
Oc1ccc(/C=N/N=C/c2ccc(O)cc2)cc1	1628024	UKWBKIBZVTUBQP-KAVGSWPWSA-N	240.262	2.551	30	50	BFEA	
N#Cc1ccccc1-n1cc(Br)cn1	38054246	RPTLEHPSCLVUDJ-UHFFFAOYSA-N	248.083	2.506	30	50	BFEA	in-vitro
Cc1ccc(F)c(CC#N)c1Br	72284325	SXKXQRGCMCPSBH-UHFFFAOYSA-N	228.064	2.963	30	50	BFEA	
CC#CC(=O)N1CCc2sccc2[C@H]1CC	277317699	FPNUXCXDBQEGQA-LLVKDONJSA-N	233.336	2.607	30	50	BFEA	
N#Cc1ccc(C(=O)N[C@@H]2C=CCCC2)c(F)c1	1120621213	RWQYTIYRYORUBB-LLVKDONJSA-N	244.269	2.536	30	50	BFEA	
CCc1c(C#N)c(=O)oc2ccc(C)cc12	57776	IERFIFFZNPLCNQ-UHFFFAOYSA-N	213.236	2.536	30	50	BFEA	biogenic
C=CCOc1cc(OCC=C)cc(C(=O)OC)c1	2529135	XIHVVZYQCQQHHV-UHFFFAOYSA-N	248.278	2.603	30	50	BFEA	in-vitro
Cc1ccc(S(=O)(=O)OCCC(C)C)cc1	34592643	PCZZZZSXMTUGGG-UHFFFAOYSA-N	242.340	2.746	30	50	BFEA	
N#CCc1c(Br)ccc(F)c1F	75898785	FLFVGCCMEOSUQN-UHFFFAOYSA-N	232.027	2.793	30	50	BFEA	
C[Si](C)(C)C#Cc1ncccc1Cl	195841979	VZHFUVHBBXLELQ-UHFFFAOYSA-N	209.752	2.964	30	50	BFEA	in-vitro
COc1ccc(CB2OC(C)(C)C(C)(C)O2)cc1	196009644	HPNLRRQVSZVKHY-UHFFFAOYSA-N	248.131	2.869	30	50	BFEA	in-vitro
[N-]=[N+]=N/C(=N/O)c1cccc(Br)c1	685939438	GROSECCHBMFBCD-YRNVUSSQSA-N	241.048	2.895	30	50	BFEA	
C=CCNC(=O)Nc1cccc(C)c1C	2171953	WHMUSAWYEUDUHA-UHFFFAOYSA-N	204.273	2.611	30	50	BFEA	
O=C[C@]12c3ccccc3[C@H]3[C@@H](c4ccccc41)[C@@H]32	257346499	MAIJIHLVZUMKDO-ZYGGUILKSA-N	232.282	2.996	30	50	BFEA	
CCCCCCCCOCCC(=O)O	2166780	HEGJNIDWGDSHDA-UHFFFAOYSA-N	202.294	2.838	30	50	BFEA	
C#CC(CC)(CC)NC(=O)Cc1ccc(C)cc1	6700088	OJNBJQALWABGJT-UHFFFAOYSA-N	243.350	2.846	30	50	BFEA	
COc1cccc(/C=N/c2nccs2)c1O	101200310	OUAMFZFGMKFLGT-NTUHNPAUSA-N	234.280	2.608	30	50	BFEA	
N#Cc1ccc(-c2cc(O)cc(C#N)c2)cc1	65341306	DIJDJBUVDVMXFR-UHFFFAOYSA-N	220.231	2.803	30	50	BFEA	in-vitro
C=C[C@H]1CC(=O)N1[Si](C)(C)C(C)(C)C	196874552	SYIIKHCRDAGGQD-VIFPVBQESA-N	211.381	2.779	30	50	BFEA	
C=C(C)CNC(=S)Nc1ccc(F)cc1	527913	ZGSCEJDTTFBMMC-UHFFFAOYSA-N	224.304	2.688	30	50	BFEA	
C=CCNC(=O)CCCOc1cc(C)ccc1C	1779954	STYCGUFAPQLLLC-UHFFFAOYSA-N	247.338	2.765	30	50	BFEA	
N#CCc1c(F)cccc1C(F)(F)F	2600101	SFLYZUWDTDYATN-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	in-vitro
Clc1ccc(OCC#CCN2CCCC2)cc1	2862869	VRBGIZXUPCLQHF-UHFFFAOYSA-N	249.741	2.818	30	50	BFEA	
COc1c2c(cc3ccccc13)C(=O)C=CC2=O	3051841	QGGGUGGTVYQASK-UHFFFAOYSA-N	238.242	2.784	30	50	BFEA	
CC(C)(C)Nc1ccc([N+](=O)[O-])cc1C#N	8147087	ILNYZDDENIXXCN-UHFFFAOYSA-N	219.244	2.677	30	50	BFEA	
N#Cc1cc(Cl)c(N)c(Br)c1	15443851	RVAYUALQDNDXJD-UHFFFAOYSA-N	231.480	2.556	30	50	BFEA	
C=C(Br)CSc1ncc(C)cn1	299016576	FAWPCSRKJYLRBQ-UHFFFAOYSA-N	245.145	2.786	30	50	BFEA	
N#Cc1ccc(CN[C@H]2CC[C@H](F)C2)s1	308884346	RWVYXJUVEFRUKP-IUCAKERBSA-N	224.304	2.600	30	50	BFEA	
COc1ccc(/C=C/C(=O)C(C)C)cc1	1633170	ZIXVMEYRFPMOAV-RMKNXTFCSA-N	204.269	2.934	30	50	BFEA	endogenous,in-man
C=CCn1c(S)nnc1-c1ccc(F)cc1	2379826	DMSRFFUUYVAHRE-UHFFFAOYSA-N	235.287	2.559	30	50	BFEA	in-vitro
CN(C)/C=C/C(=O)c1ccc(-n2cccc2)cc1	4050276	PLNVOJGOVGGOPS-FMIVXFBMSA-N	240.306	2.735	30	50	BFEA	
C=CCCOCCOCc1ccccc1	585661696	KRYZCBRTGXUCEA-UHFFFAOYSA-N	206.285	2.796	30	50	BFEA	
COc1ccc([C@@H]2CC[C@@H]2NC[C@@H](C)C#N)cc1	1616182399	PSFSVSSSLRJJIE-CQDKDKBSSA-N	244.338	2.690	30	50	BFEA	
C=CCOc1ccc(C(=O)NC2CCCC2)cc1	4870211	OLZOHWUQSKGXFX-UHFFFAOYSA-N	245.322	2.924	30	50	BFEA	
N#CCSc1nccc(-c2cccs2)n1	5897025	ZVZGYYVTFFCICB-UHFFFAOYSA-N	233.321	2.821	30	50	BFEA	
CNCC#CCOc1c(Cl)cccc1Cl	16623596	QJKGLBFMKVRICA-UHFFFAOYSA-N	244.121	2.595	30	50	BFEA	
CCc1c(C)nc2sc(C#N)c(N)c2c1C	95951897	UUJGLZRXEIKCSC-UHFFFAOYSA-N	231.324	2.929	30	50	BFEA	
CC(=O)c1cc(CN2CCC[C@@H](C#N)C2)cs1	97655420	FYCLCUXQBCUILV-NSHDSACASA-N	248.351	2.686	30	50	BFEA	
CCOc1ccc(/C(N=[N+]=[N-])=N/O)cc1	685939450	VNMNGEPKSUVDPR-XFXZXTDPSA-N	206.205	2.531	30	50	BFEA	
C/C(=C\B1OC(C)(C)C(C)(C)O1)C(F)F	2325903719	QDGODSSBDOAUSQ-VOTSOKGWSA-N	218.052	2.829	30	50	BFEA	
C=CCOc1cc(Cl)c(C=O)cc1OC	2776079	NRDGWVVVMWKGRU-UHFFFAOYSA-N	226.659	2.726	30	50	BFEA	in-vitro
Cn1cc(/C=C/C(=O)c2ccc(Cl)cc2)cn1	6828133	MEESTRIIHPMTNV-FARCUNLSSA-N	246.697	2.970	30	50	BFEA	
O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc[nH]1	4651434	OTVNXYQKOLOLGW-HWKANZROSA-N	241.246	2.640	30	50	BFEA	
N#Cc1ccc2c(Br)cccc2n1	26474723	JIVIKOIXOUTCTN-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	in-vitro
C=CCC[C@H](CC)N[C@H]1CCCC[C@H]1O	242106253	WIERRMCYSNNWID-RWMBFGLXSA-N	211.349	2.624	30	50	BFEA	
C[C@H](C#N)C(=O)Nc1cccc(C(F)F)c1	335275862	ZPQNWGXWKRJWHV-SSDOTTSWSA-N	224.210	2.722	30	50	BFEA	
O=CCCc1ccc(F)c(Cl)c1F	228955024	AYXCJCQNQDUWEO-UHFFFAOYSA-N	204.603	2.750	30	50	BFEA	
N#CC1(c2cccc(O)c2F)CCCC1	261494090	PPCHLDUEPRSICB-UHFFFAOYSA-N	205.232	2.867	30	50	BFEA	
N#Cc1ccc2ccc3cccnc3c2n1	44914	LSMQCFPLQFCYAW-UHFFFAOYSA-N	205.220	2.655	30	50	BFEA	
C=CCNC(=O)c1ccc(O[C@@H](C)CC)cc1	10289429	AOPYGQPHDZLHIS-NSHDSACASA-N	233.311	2.780	30	50	BFEA	
CC[C@](C)(S)[P@](=O)(O)c1ccccc1	22203525	FNGIGSPBCHIEAZ-JTQLQIEISA-N	230.269	2.638	30	50	BFEA	
C=CCC[C@@H](C)Nc1cc(C(N)=O)ccc1C	195561778	KZZIBZRZUIKDLI-LLVKDONJSA-N	232.327	2.861	30	50	BFEA	
C[C@H](C=O)c1ccccc1OC(F)(F)F	238444522	RQZDJBZLCBWKFJ-SSDOTTSWSA-N	218.174	2.888	30	50	BFEA	
OCCCC(F)(F)C(F)(F)C(F)(F)F	2555200	VACKBPFJJWRSAO-UHFFFAOYSA-N	228.107	2.592	30	50	BFEA	in-vitro
COc1ccc([S+]2CCCCC2)cc1	4976430	SJOTUCUITNTTEO-UHFFFAOYSA-N	209.334	2.856	30	50	BFEA	
O=CC1(c2cccc(Cl)c2)CCOCC1	12359751	DGVXFYWXCMGXSF-UHFFFAOYSA-N	224.687	2.587	30	50	BFEA	in-vitro
N#Cc1ccc(O)c(-c2cccc3ccnn23)c1	72167314	ARBJOZCEMOGOSH-UHFFFAOYSA-N	235.246	2.579	30	50	BFEA	
ON=C(/C(=N/O)c1ccccc1)c1ccccc1	252441177	JJZONEUCDUQVGR-QJKVABESSA-N	240.262	2.743	30	50	BFEA	
Cc1ccc(-c2nc[nH]c3nccc2-3)cc1C#N	1244470136	HGMUIBJYGCMWJJ-UHFFFAOYSA-N	234.262	2.757	30	50	BFEA	
C#CCSc1nnc(-c2ccc(C)cc2)o1	2815081	UTNBDQZOZKSNCM-UHFFFAOYSA-N	230.292	2.770	30	50	BFEA	
C=CCNc1nc(-c2ccccc2)ncc1OC	4060835	JOGNQLLSGJZTCJ-UHFFFAOYSA-N	241.294	2.750	30	50	BFEA	
Cc1c(Br)ccc(C#N)c1F	98210861	PWISOHRBGSJIPW-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1ccnc(Cl)c1	169804571	GUFPUCBBPLNIIN-UHFFFAOYSA-N	209.752	2.964	30	50	BFEA	in-vitro
Cc1cccc(CN2CCC[C@@](C)(C#N)C2)n1	612165036	IECOREYRNLJEAV-AWEZNQCLSA-N	229.327	2.516	30	50	BFEA	
N#Cc1ccc(N2CCCCC2)c(F)c1	318532	ATWAMCJDNQDOEA-UHFFFAOYSA-N	204.248	2.688	30	50	BFEA	
C=CCCCCOC(=O)C[C@@H](CN)CC(C)C	585124093	QJPBZKPEAQUTOJ-ZDUSSCGKSA-N	241.375	2.897	30	50	BFEA	
C[C@@H]1CCC[C@@]1(C)CNc1cc[nH]c(=N)c1C#N	2325861380	OHCYXZSNTQJTLL-YGRLFVJLSA-N	244.342	2.604	30	50	BFEA	
C/C(CCc1c[nH]c2ccccc12)=N\O	100061143	MAIWVLSTHAALPQ-NTEUORMPSA-N	202.257	2.951	30	50	BFEA	
CC(=O)O[C@@]1(C#N)C[C@H]2C[C@H]1C1=C2[C@H]2CC[C@H]1C2	257355988	FAVSZTHTIFYDML-QKZHPOIUSA-N	243.306	2.578	30	50	BFEA	
C#CCCC1(CCC(=O)Nc2ccccc2)N=N1	2325885347	ZRUNZZCUEBDVSZ-UHFFFAOYSA-N	241.294	2.981	30	50	BFEA	
CC(C)(C)OC(=O)N[C@H](C#N)Cc1ccccc1	2243526	PMCZSKSPRUQIOF-LBPRGKRZSA-N	246.310	2.646	30	50	BFEA	in-vitro
Cc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)o1	4578351	QIAHLMSFXLGGIH-MDWZMJQESA-N	245.238	2.942	30	50	BFEA	
O/N=C(/Nc1ccccc1)c1ccccc1	18091079	LQZPIDPVRIFWFJ-UHFFFAOYSA-N	212.252	2.935	30	50	BFEA	
COc1ccc(C#C[Si](C)(C)C)cc1	169876946	GODVAYLZXZQBFP-UHFFFAOYSA-N	204.345	2.924	30	50	BFEA	in-vitro
C=CCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)OC	1506420993	RXKWEPPVSDDWCI-CYBMUJFWSA-N	247.338	2.545	30	50	BFEA	
C[C@](O)(C#Cc1ccccc1)c1ccccc1	1081524	GKABQYUTWQPLER-INIZCTEOSA-N	222.287	2.946	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@]1(C)C(C)C	211997679	LAHJKJARQPXKBG-NEPJUHHUSA-N	214.305	2.533	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)Nc1ccc(CO)cc1	585125888	ICMYMWBGXOLPAI-NSHDSACASA-N	233.311	2.720	30	50	BFEA	
OC[C@H](Cc1ccccc1)/N=C/c1ccccc1	481515	XPAUYOLNAAYWDN-WLSWZUKCSA-N	239.318	2.709	30	50	BFEA	
O=C1/C(=C2\C[C@H]3C=C[C@H]2C3)[C@H]2CC[C@H]1C2	102319179	XMGOEJLNWLFCEK-FCPXSZSCSA-N	200.281	2.878	30	50	BFEA	
C[C@@H]1CC[C@H](C#N)CN1C(=O)OC(C)(C)C	204015567	DNGIVRGRDVYEPQ-NXEZZACHSA-N	224.304	2.546	30	50	BFEA	
C/C(=N\Nc1nc(C)cc(C)n1)c1ccc(C)o1	4828392	VFXLQGLEVRJXOZ-LFIBNONCSA-N	244.298	2.831	30	50	BFEA	
CCCCCC[C@H]1CCC/C1=N/NC(N)=S	4898555	OWGUSBISUVLUJF-SFEFGNTJSA-N	241.404	2.946	30	50	BFEA	
CCc1nc(N)c(C#N)c(-c2ccco2)c1C	19972541	MUYKTJQTZWEPFP-UHFFFAOYSA-N	227.267	2.666	30	50	BFEA	
C[C@@H](/N=C(/O)c1conc1C1CC1)c1ccon1	329547035	DPNPMVKRHZWDNF-SSDOTTSWSA-N	247.254	2.606	30	50	BFEA	
C=C(C)[C@@H]1CC=C(CN2CCC[C@H](O)C2)CC1	4988809	WDPXODBODZAIGF-CABCVRRESA-N	235.371	2.746	30	50	BFEA	
O=C1/C(=N/O)[C@H](c2ccccc2)c2ccccc21	102314745	TXRMUKQKPSRVSL-ZPTIMJQQSA-N	237.258	2.845	30	50	BFEA	
C=C(C)CN(CC)Cc1ccc(OC)cc1O	23281996	FTPSLEUXXLBVLH-UHFFFAOYSA-N	235.327	2.799	30	50	BFEA	
O=C(O)c1ccc(/N=C/c2cccnc2)cc1	40912	AUWGKVCETDCGDW-OQLLNIDSSA-N	226.235	2.530	30	50	BFEA	
CCSc1nc(C)c(C(C)=O)cc1C#N	115204	NDUMCAMPHFJCJR-UHFFFAOYSA-N	220.297	2.576	30	50	BFEA	
C=C(C)[C@@H]1CC=C(CN2CCC[C@@H]2CO)CC1	4021093	FGWKUVQCXOEULL-HUUCEWRRSA-N	235.371	2.746	30	50	BFEA	
N#CCCC/C=C\CO[C@@H]1CCCCO1	39118476	RIWZVGMEJFXPKY-RYBZSIHZSA-N	209.289	2.780	30	50	BFEA	
C=C1CC[C@]2([C@](C)(O)C[C@H](O)C=C(C)C)C[C@H]12	2332925116	IBMZBQSRIYNBIV-TUVASFSCSA-N	236.355	2.811	30	50	BFEA	
N#CCCCC1=C(O)C(=O)c2ccccc2C1=O	4552439	ASNKZDWTBKZYKY-UHFFFAOYSA-N	241.246	2.572	30	50	BFEA	
C=C(C)CNc1nc2cccnc2s1	170602785	OZVUIDNEDYVPAT-UHFFFAOYSA-N	205.286	2.679	30	50	BFEA	
C=C/C(O)=N/C1CCC(c2nc(C)no2)CC1	328599747	TVKSWYVLKBNTBJ-UHFFFAOYSA-N	235.287	2.547	30	50	BFEA	
CC(C)(C)OC(=O)n1nc(C#N)c2ccccc21	95628577	XFIIOOSOJNYTPJ-UHFFFAOYSA-N	243.266	2.691	30	50	BFEA	
N#Cc1ccc(-c2cccc3nsnc23)nc1	1875330986	KJHWKAAIUWBLAQ-UHFFFAOYSA-N	238.275	2.625	30	50	BFEA	
O=C1C=C(Nc2cccc(F)c2)CCC1	4265247	VSYILMIYVRAESQ-UHFFFAOYSA-N	205.232	2.875	30	50	BFEA	biogenic
CCCNC1=C(Cl)C(=O)c2ccccc2C1=O	100314628	XRAWTFQHXJQAGX-UHFFFAOYSA-N	249.697	2.516	30	50	BFEA	
CC(C)n1cccc1C(=O)N[C@@H](C#N)C(C)(C)C	120803993	OJAIYIHRMOOOTD-LBPRGKRZSA-N	247.342	2.737	30	50	BFEA	
NN=Cc1ccc(-c2cccs2)s1	254738452	CLGZFSDFMZJTJI-UHFFFAOYSA-N	208.311	2.769	30	50	BFEA	
N#CCC(=O)c1ccc(C(F)(F)F)cc1	2579790	FSYIJSKUDBUEQZ-UHFFFAOYSA-N	213.158	2.802	30	50	BFEA	in-vitro
C[C@H](CC#CCN1CCCC1)OC(C)(C)C	5528844	IGLCCGKIDKUMQB-CYBMUJFWSA-N	223.360	2.679	30	50	BFEA	
CCCCCCCCCC(=O)N[C@@H](C)C(=O)O	2023334	KMJDEJIZLJQIQI-NSHDSACASA-N	243.347	2.716	30	50	BFEA	
N#Cc1ccc(Oc2ccc(/C=N/O)cn2)cc1	8656623	ZQLAGKWPMNNNJV-CXUHLZMHSA-N	239.234	2.554	30	50	BFEA	
CC1(C)OB(Cc2ccc(C#N)cc2)OC1(C)C	169746725	IBNNFFDCOHDYJE-UHFFFAOYSA-N	243.115	2.732	30	50	BFEA	
C/C=C\C=NN(C)C(=N)c1ccccc1	254680023	VRLMXMWOCCSAIT-BKENGYKWSA-N	201.273	2.506	30	50	BFEA	
N#Cc1cccc(-c2noc(C3CCC3)n2)c1	725273674	UATBCBPIOIRRDC-UHFFFAOYSA-N	225.251	2.876	30	50	BFEA	
N#Cc1c(F)cccc1N[C@H]1CCCOCC1	86870457	AOLJCCUVTHCKSC-JTQLQIEISA-N	234.274	2.678	30	50	BFEA	
CC[C@H](C)NC(C)=C1C(=O)CC(C)(C)CC1=O	100319085	NTULLRNOCVQCBE-VIFPVBQESA-N	237.343	2.607	30	50	BFEA	
CC1(C)[C@@H]2C=C(C[C@H](O)[C@H]3CO3)[C@@]1(C)CC2	257357023	LQAFXQTYXRNOOU-PQFRYHKHSA-N	222.328	2.519	30	50	BFEA	
N#CCc1ccnc(C(F)(F)F)c1Cl	238582517	DWOGJEQCDCGJFJ-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
CCCCC/C(=N\NC(=N)N)c1ccc(C)cc1	4760426	LBFSXTRBLOWEGU-GHRIWEEISA-N	246.358	2.762	30	50	BFEA	
O/N=C1\CCC[C@@H]1C[C@H]1CCC/C1=N\O	5282935	JUXFUPRYYBKRHQ-ILSUEOQESA-N	210.277	2.637	30	50	BFEA	
CCCCCCCC[S@](=O)CCC(=O)O	17357186	XVNOLOWZGLUMGU-OAHLLOKOSA-N	234.361	2.570	30	50	BFEA	
COc1cc(C#N)ccc1C(F)(F)F	91252355	QASUCJMIPAXDOB-UHFFFAOYSA-N	201.147	2.586	30	50	BFEA	
N#CCN[C@@H]1CCC[C@H]1Cc1ccccc1	170607286	PRORSFFSJNZCGC-UONOGXRCSA-N	214.312	2.511	30	50	BFEA	
CC[C@@]1(c2cccc(Cl)c2)O[C@H]1C#N	307540552	WHPRCJPOYOQNLK-QWRGUYRKSA-N	207.660	2.868	30	50	BFEA	
Cc1csc(CNc2cc(C#N)ccn2)c1	335914757	FTBVUCMLTHPIEX-UHFFFAOYSA-N	229.308	2.935	30	50	BFEA	
[CH2]CCCCCCCCCC(=O)OCCO	2049178256	CMIYZIITUFQTOO-UHFFFAOYSA-N	229.340	2.867	30	50	BFEA	
CSC1=N/C(=C\c2ccco2)C(=O)S1	4755328	LHWHWVKQRRBLFF-ALCCZGGFSA-N	225.294	2.613	30	50	BFEA	
CNCC#CCOc1ccccc1C(C)(C)C	12381771	UAUZVEGDCIURIK-UHFFFAOYSA-N	231.339	2.586	30	50	BFEA	
N#CCC(=O)c1ccc(Br)cc1	251883	HSNWUXWZCSDJPL-UHFFFAOYSA-N	224.057	2.545	30	50	BFEA	in-vitro
CN(C)/C=C1/CCc2c([nH]c3ccccc23)C1=O	12341605	WQOMNKDELFYTQR-KTKRTIGZSA-N	240.306	2.742	30	50	BFEA	biogenic
COc1cc2c(Cl)c(C#N)cnc2cc1F	12649559	PNVRUIFACIJUKH-UHFFFAOYSA-N	236.633	2.908	30	50	BFEA	
N#Cc1cnc2ccc(C(F)(F)F)cc2c1O	53994934	BQMKSDRNSZUJTN-UHFFFAOYSA-N	238.168	2.831	30	50	BFEA	
Oc1ccccc1/C=N\c1nccs1	95851161	JLXKDXBSISPXJW-GHXNOFRVSA-N	204.254	2.599	30	50	BFEA	
Cc1ccc(F)cc1Oc1cnc(C#N)cn1	225537822	CWTFMEMXAGFDJM-UHFFFAOYSA-N	229.214	2.588	30	50	BFEA	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC#N)CC1	306145435	FIWFOACIVWBZSW-XYPYZODXSA-N	238.331	2.984	30	50	BFEA	
Cc1nccc(Oc2cccc(F)c2C#N)n1	133520487	VGUSODZEWGIAAT-UHFFFAOYSA-N	229.214	2.588	30	50	BFEA	
C[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)C[C@H](C)O1	214793175	DBRPBBDCXSNINM-UWVGGRQHSA-N	238.136	2.742	30	50	BFEA	in-vitro
C=C(C)C[C@@H](C)C(=O)NOCc1cccc(C)n1	585129090	XOQCJNSTDQCKAC-LLVKDONJSA-N	248.326	2.540	30	50	BFEA	
C[C@@H]1CCCN(c2ccccc2OC[C@H]2CO2)C1	1857780264	YHYZEYKUYOFQSE-CHWSQXEVSA-N	247.338	2.701	30	50	BFEA	
Cc1nc(Cl)c(C#N)c(C)c1Cl	53863	UCGWYTUBYASPFG-UHFFFAOYSA-N	201.056	2.877	30	50	BFEA	in-vitro
C=CCC[C@@H](C)NCc1cn2ccccc2n1	195561585	HWOJGAGCOOWFGR-GFCCVEGCSA-N	229.327	2.779	30	50	BFEA	
CC#CC(=O)N(CC)Cc1cccc2[nH]ccc12	1875379057	MMJVFTZVLHNNPI-UHFFFAOYSA-N	240.306	2.540	30	50	BFEA	
N#Cc1ccc(COc2ccc(C=O)cc2)cc1	2862196	DAPVPNWZUFRDRP-UHFFFAOYSA-N	237.258	2.950	30	50	BFEA	in-vitro
O=C(/C=C/c1ccco1)c1ccccc1O	3892550	RTGXXLFEOHIIBM-BQYQJAHWSA-N	214.220	2.881	30	50	BFEA	
CC(=O)OC1=C(C)C(C)(C)[C@@H](C#N)CC1	4831074	PBBTZKTUMCOJSI-SNVBAGLBSA-N	207.273	2.783	30	50	BFEA	
N#CCc1nc(C(F)(F)F)ccc1Cl	238571218	SBKNWIGXYLXLSJ-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
O=C(/C=C\c1cccnc1)c1ccc(O)cc1	4531790	JRNSRWHZOUBRQN-BAQGIRSFSA-N	225.247	2.683	30	50	BFEA	
CCC[C@@]1(C(=O)OCC)O[C@@]1(C)CC(C)C	211970383	VGJJOZJIBFDZRP-STQMWFEESA-N	228.332	2.923	30	50	BFEA	
C=C[C@@](C)(CC)C(=O)Nc1snc(C)c1C#N	331303882	ANYBHEFTOGTNHH-LBPRGKRZSA-N	249.339	2.864	30	50	BFEA	
CCN(CC)CCCC#CCN1CCCCC1	1689789	JSMYVEANMICDFU-UHFFFAOYSA-N	236.403	2.598	30	50	BFEA	
C[C@H](CC=O)c1cn(C)c2ccccc12	2548280	OQWWHYBHQFZHLP-SNVBAGLBSA-N	201.269	2.871	30	50	BFEA	
N#CCCOc1ccc(Br)cc1	2566838	JXVPKJBXTXXLPN-UHFFFAOYSA-N	226.073	2.742	30	50	BFEA	in-vitro
C=C[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C	196874544	SYIIKHCRDAGGQD-SECBINFHSA-N	211.381	2.779	30	50	BFEA	
N#Cc1cnn(Cc2c(F)cccc2Cl)c1	253393603	SJLPMOGWUJWFDN-UHFFFAOYSA-N	235.649	2.596	30	50	BFEA	
C#CCO[C@@H](CCCCc1ccccc1)C(=O)O	263618236	RVZAYUNVFMTQKG-AWEZNQCLSA-N	246.306	2.502	30	50	BFEA	
Cc1ccc(C#N)c(Br)c1C	575687599	KOMHDSYTLDGMCU-UHFFFAOYSA-N	210.074	2.938	30	50	BFEA	
CCC(C)(C)/C=N/[S@@](=O)C(C)(C)C	218160511	ISTZVHFMPABYQN-YKWSONSWSA-N	203.351	2.956	30	50	BFEA	
CC(=O)Nc1ccc(C#N)c2ccccc12	394192	COZOJWLUNAGFJN-UHFFFAOYSA-N	210.236	2.670	30	50	BFEA	
C=CCSc1nnc2c(n1)[nH]c1ccccc12	2473148	QLCMIARCWVIETD-UHFFFAOYSA-N	242.307	2.784	30	50	BFEA	
C=CCNC(=O)CCSc1ccc(C)cc1	4690910	GHWRISMKEVRPQF-UHFFFAOYSA-N	235.352	2.779	30	50	BFEA	
C=CCCC(=O)C1SCCCS1	43214634	PNQMKHODQVNZKP-UHFFFAOYSA-N	202.344	2.718	30	50	BFEA	
O=C1CC(c2ccc(Cl)cc2Cl)=NO1	100350896	DDIJAWTYTDUVEX-UHFFFAOYSA-N	230.050	2.644	30	50	BFEA	
c1cncc(Oc2ccc(OC[C@@H]3CO3)cc2)c1	1857780717	HCEWSQICEVDWBM-CQSZACIVSA-N	243.262	2.652	30	50	BFEA	
N#Cc1ccc(OC(F)(F)F)c(F)c1	12359192	BMDFWWSJQONADD-UHFFFAOYSA-N	205.110	2.596	30	50	BFEA	in-vitro
C#CCC(O)(c1ccccc1)c1ccccc1	136897561	BWZTZBBQICLASF-UHFFFAOYSA-N	222.287	2.946	30	50	BFEA	
C=C(C)COc1ccc(C(OC)OC)cc1	1772715441	ZQKUGWDERPEEGY-UHFFFAOYSA-N	222.284	2.933	30	50	BFEA	
C=CCSc1nc2ccc(C(=O)O)cc2[nH]1	212717392	MVNNLTXGXFEMKV-UHFFFAOYSA-N	234.280	2.539	30	50	BFEA	
CC(C)(C)CC(=O)N1CCc2ccc(C#N)cc21	225516745	KHKFXDICFXRSNV-UHFFFAOYSA-N	242.322	2.884	30	50	BFEA	
O=C([C@@H]1CO1)N1CCCCC[C@@H]1c1ccccc1	1875372920	PUKDCIFGWKTEPV-KGLIPLIRSA-N	245.322	2.529	30	50	BFEA	
Oc1ccc(/C=N/Cc2ccccc2)cc1O	3131543	MHYSIMHYPVATDS-XNTDXEJSSA-N	227.263	2.717	30	50	BFEA	
CCc1cc(C#N)ccc1Br	67802835	ITVYYZNUYKBREP-UHFFFAOYSA-N	210.074	2.883	30	50	BFEA	
C[C@@H]1CC(C=O)C[C@@H](C)N1Cc1ccccc1	307674844	DRTZROGRXLURID-CHWSQXEVSA-N	231.339	2.875	30	50	BFEA	
Cc1cc(C)n(N=C2CCCCC2)c(=O)c1C#N	478626	RARGZCKMIJRSRG-UHFFFAOYSA-N	243.310	2.505	30	50	BFEA	
O=C1C(=O)C(Cl)=C(Cl)C(Cl)=C1Cl	1595936	VRGCYEIGVVTZCC-UHFFFAOYSA-N	245.876	2.517	30	50	BFEA	in-vivo
C=CCN(CC=C)C(=O)Nc1ccccc1	241025	WTNHSTMLXCXNDF-UHFFFAOYSA-N	216.284	2.893	30	50	BFEA	
CN1CCO/C1=N/c1ccc(Cl)c(Cl)c1	101922383	RFRGNHFKUJIHDA-JLHYYAGUSA-N	245.109	2.943	30	50	BFEA	
C[C@H](C#N)CNC1CCC2(CC1)CC2(F)F	952995329	IUKOEVABPSJLAN-KPPDAEKUSA-N	228.286	2.704	30	50	BFEA	
C=CCOc1ccccc1CNCCC	4820470	BJXHLLXLJVJEOP-UHFFFAOYSA-N	205.301	2.751	30	50	BFEA	
C=Cc1ccc(C(=O)Nc2ccc(C#N)cn2)cc1	253416194	UNYUTMKTIIKMPK-UHFFFAOYSA-N	249.273	2.849	30	50	BFEA	
C/C(=C\N(C)C)C(=O)/C=C/c1ccccc1	36372336	PCHDJRQCFNATCA-HULFFUFUSA-N	215.296	2.734	30	50	BFEA	
C[Si](C)(C)C#Cc1cccc(C(=O)O)c1	169807656	HVFJDDIMHALNJE-UHFFFAOYSA-N	218.328	2.614	30	50	BFEA	
C[C@]1(c2cccc(C(F)(F)F)c2)O[C@H]1C#N	380519349	WLASYEUJPNECQM-VHSXEESVSA-N	227.185	2.843	30	50	BFEA	
C=C(C)C(CCC#N)(CCC#N)C(C)=O	1695144	GQXHZFIFOVAOCM-UHFFFAOYSA-N	204.273	2.745	30	50	BFEA	
C=CCNC(=O)Nc1cccc(Cl)c1	1917318	ITFLIVVAIKVBLP-UHFFFAOYSA-N	210.664	2.648	30	50	BFEA	
C=CCNC/C=C/COc1cccc(C)c1	16623298	SBHFIRWGLOSOFD-SNAWJCMRSA-N	217.312	2.706	30	50	BFEA	
CCC[C@]1(C)CCCN(c2cnc(C#N)cn2)C1	126004074	IIMXWHXJEPSDRF-CQSZACIVSA-N	244.342	2.755	30	50	BFEA	
N#Cc1cccn1-c1c(F)cccc1F	4054834	GJPDKGRREPXCAN-UHFFFAOYSA-N	204.179	2.627	30	50	BFEA	
N#Cc1cccc(OC(=O)c2ccccc2)c1	4825968	INDVQLDWDQNRAP-UHFFFAOYSA-N	223.231	2.777	30	50	BFEA	
CO/N=C/[C@H](C#N)c1ccc(Cl)cc1	5353961	BGWCMVGFWQHBBW-PBJWJZLWSA-N	208.648	2.579	30	50	BFEA	
COc1ccc(CN2CCC(C#N)CC2)c(F)c1	215383434	CCUHNNSDARVUEV-UHFFFAOYSA-N	248.301	2.570	30	50	BFEA	
COCc1csc(Nc2ccc(C#N)cc2)n1	357250216	POVWFDGTVILFDI-UHFFFAOYSA-N	245.307	2.905	30	50	BFEA	
Cc1[nH][nH]c(=Nc2cccc(C(C)C)c2)c1C#N	2356135819	UVLWLVGJCGWSLS-UHFFFAOYSA-N	240.310	2.879	30	50	BFEA	
N#Cc1cccc2c1[C@H]1[C@H]3[C@@H]2[C@H]2C=C[C@H]2[C@@H]13	247661718	SPIAMXPAJFUTRW-MTIYOPRHSA-N	205.260	2.801	30	50	BFEA	
CC(C)(C)OC(=O)N1C[C@@](C)(C=O)CC1(C)C	1857785472	RCVLNBFDXITWAI-ZDUSSCGKSA-N	241.331	2.611	30	50	BFEA	
N#Cc1ccccc1Oc1ccc(N)cc1	2534010	TULFOUYGBDHHPP-UHFFFAOYSA-N	210.236	2.933	30	50	BFEA	in-vitro
CCCC[C@@H](CC)COC(=O)CS	4521866	OWHSTLLOZWTNTQ-SECBINFHSA-N	204.335	2.676	30	50	BFEA	in-vitro
C=CCOc1c(CC=C)cc(C=O)cc1OC	5661111	RPPBOALIYMJLNA-UHFFFAOYSA-N	232.279	2.801	30	50	BFEA	
CCN1C=CC=C/C1=C/C=C1/C=CC=CC1=O	409415899	NTVFYYIBNJTPSJ-WGYBXSNTSA-N	225.291	2.897	30	50	BFEA	
COc1ccc(C#N)cc1C(F)(F)F	157433	FLHQJZPLFRIGOT-UHFFFAOYSA-N	201.147	2.586	30	50	BFEA	in-vitro
C=CCOc1ccccc1OCCCN(C)C	4842598	NGIWKOVIXAJMNA-UHFFFAOYSA-N	235.327	2.582	30	50	BFEA	
C=CCNC(=O)Cc1ccc(Cl)cc1Cl	12343786	WBNWDQADKDJNNP-UHFFFAOYSA-N	244.121	2.838	30	50	BFEA	
CC1(C)OB(/C=C/c2ccncc2)OC1(C)C	200998922	IEKWFCPMKVVRKB-VMPITWQZSA-N	231.104	2.726	30	50	BFEA	
N#CC1CCN(C(=O)OCc2ccccc2)CC1	2527493	UGKXZMBTBFELAS-UHFFFAOYSA-N	244.294	2.559	30	50	BFEA	in-vitro
C=C(C)c1nc(-c2ccc([N+](=O)[O-])cc2)no1	38537064	HJCLGFFHDOBJDR-UHFFFAOYSA-N	231.211	2.678	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)N[C@@H](C=O)CC1CCCC1	220790049	LKCFNSRNEPSJIY-LLVKDONJSA-N	241.331	2.659	30	50	BFEA	
N#Cc1ccc(NCc2ccccc2)nc1	19513901	WWTAXAFLJMUESZ-UHFFFAOYSA-N	209.252	2.565	30	50	BFEA	in-vitro
N#CCc1c(C(F)(F)F)ccnc1Cl	238577082	PAOSWZYTRQUQGA-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
C[C@@]1(c2cccc(Br)c2)O[C@@H]1C#N	307338011	UINKQDFFVRQBNY-ZJUUUORDSA-N	238.084	2.587	30	50	BFEA	
CCSCCS[C@H](C#N)C1CC1	585118745	AHSVTXCBEXZNEN-SECBINFHSA-N	201.360	2.775	30	50	BFEA	
C/C(=N\O)c1ccc2ccccc2c1O	25885	IZFPWYLXBWCBIN-MDWZMJQESA-N	201.225	2.744	30	50	BFEA	
C=CCc1cc(/C=C/[N+](=O)[O-])cc(OCC)c1O	452039	ZREWPULZTFPUMX-VOTSOKGWSA-N	249.266	2.767	30	50	BFEA	
CCC(=N/O)/C(=N\O)c1ccc(CC)cc1	6225133	RKJNWIXRWUUPMP-XSYHWHKQSA-N	220.272	2.668	30	50	BFEA	
C[C@@H]1C[C@@H]1/N=C(/O)C[C@@H]1CCCCC(O)=N1	328652069	JWGAXISNKWSKAL-UTLUCORTSA-N	224.304	2.641	30	50	BFEA	
COc1ncc2cc3ccccc3nc2c1C#N	1772572840	QNJYUHRGCPRPQS-UHFFFAOYSA-N	235.246	2.663	30	50	BFEA	
COc1ccc(C(=O)/C=C/c2cccnc2)cc1	3998732	WPXOTBIFJKUITB-RUDMXATFSA-N	239.274	2.986	30	50	BFEA	
CC[C@]1(CO)CCCN(c2ccc(C#N)cc2)C1	302420727	MXFOPTAUIBIKBI-HNNXBMFYSA-N	244.338	2.547	30	50	BFEA	
CC(C)C[C@H](CC=O)NC(=O)OC(C)(C)C	72481774	PXSPQTFERASGAD-JTQLQIEISA-N	229.320	2.515	30	50	BFEA	
O=C1C=C[C@@H]2C[C@]34C=CC[C@@H]3CC[C@H]4[C@H]12	257356244	GZYCIIFSGMYZDD-KHQUWSPVSA-N	200.281	2.734	30	50	BFEA	
N#Cc1cc(NCCC[C@H]2CCCCO2)ccn1	287069666	XRDJTIRAYHCMAG-CQSZACIVSA-N	245.326	2.714	30	50	BFEA	
CCOC(=O)CC[C@@](C)(C#N)c1ccccc1	2163462	PNOOWJWGNVEQPV-AWEZNQCLSA-N	231.295	2.811	30	50	BFEA	
N#Cc1c(C(F)(F)F)ccc(F)c1F	16158221	QODCSKFZMRDUMK-UHFFFAOYSA-N	207.101	2.855	30	50	BFEA	in-vitro
C=CCNCCOc1ccccc1CC=C	3001790	OSPRYOVNLIFPTL-UHFFFAOYSA-N	217.312	2.570	30	50	BFEA	
CCc1ccc(B2OC(C)(C)C(C)(C)O2)s1	198093745	SPNIWDLPUBCHPG-UHFFFAOYSA-N	238.161	2.610	30	50	BFEA	in-vitro
C#CC(C)(C)OC(=O)Nc1ccccc1C	618057	ASYJTHOYDLXOFJ-UHFFFAOYSA-N	217.268	2.955	30	50	BFEA	
CC[C@@H](C)NC(C)=C1C(=O)CC(C)(C)CC1=O	100319082	NTULLRNOCVQCBE-SECBINFHSA-N	237.343	2.607	30	50	BFEA	
C=C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1	153697169	LMKGOICZXLQARP-VIFPVBQESA-N	249.270	2.599	30	50	BFEA	
CC1=NN([C@@H](C#N)c2ccccc2O)C(C)(C)C1	313044	UYJAFPWGKKJXSX-LBPRGKRZSA-N	243.310	2.817	30	50	BFEA	
CCCCCCCCC[C@@H](O)CC(=O)O	16051927	MUCMKTPAZLSKTL-LLVKDONJSA-N	216.321	2.963	30	50	BFEA	endogenous,in-man
C=C(Br)CN1CCC[C@@H](C)C1	52440586	NAWZPXIHCWXUIL-MRVPVSSYSA-N	218.138	2.627	30	50	BFEA	in-vitro
C=C(C)C[C@H]1C=CC[C@@H](CC(=C)C)N1CCO	59498140	IVXINRRYVFFQLP-CABCVRRESA-N	235.371	2.910	30	50	BFEA	
CCCCCCCCOC(=O)/C=C/C(=O)O	97943436	VTWGIDKXXZRLGH-CMDGGOBGSA-N	228.288	2.531	30	50	BFEA	
COC(=O)c1cccc(C#C[Si](C)(C)C)c1	195965327	NSXWMGYQHNWJQL-UHFFFAOYSA-N	232.355	2.702	30	50	BFEA	
Cc1ccc(N=C(O)C[C@H]2CCOC2)c(C)n1	330140492	PMZAQDGWDBBJHH-LLVKDONJSA-N	234.299	2.713	30	50	BFEA	
N#C[C@@H](NC(=O)c1ccccc1)c1ccccc1	35274225	NBZAGKIQCHKEBJ-CQSZACIVSA-N	236.274	2.681	30	50	BFEA	
C=CCNc1cnn(C(C)C)c1C1CC1	241969562	UXNBURZMEQUVBT-UHFFFAOYSA-N	205.305	2.939	30	50	BFEA	
N#Cc1cc(F)c(F)c(OC(F)(F)F)c1	263625216	XTIDVJCIJPFWPF-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
C=C(C)C[C@H](C)C(=O)N1CCc2nc(F)ccc21	585122434	FWWOIEBMTJUJQH-JTQLQIEISA-N	248.301	2.712	30	50	BFEA	
C=CCN[C@@H]1CCCOc2ccc(F)cc21	130649705	BDSXYINDFNPAFD-GFCCVEGCSA-N	221.275	2.815	30	50	BFEA	
C#CCn1c(C)cc(C(=O)OC(C)(C)C)c1C	950756213	ZMQQSNJHAXJNLP-UHFFFAOYSA-N	233.311	2.693	30	50	BFEA	
COc1cc2ccc(C#N)cc2cc1OC	39260119	ZSNPTAWENJOIHZ-UHFFFAOYSA-N	213.236	2.729	30	50	BFEA	
CNc1oc(-c2ccc(C)cc2)nc1C#N	50670	RGVURXFZNFIRRC-UHFFFAOYSA-N	213.240	2.563	30	50	BFEA	
C#C[C@@H](C)N(C)Cc1ccc(OC)c(SC)c1	252484261	FTEGYSVNDBSUKI-LLVKDONJSA-N	249.379	2.871	30	50	BFEA	
O=[N+]([O-])c1ccc(O)c(/N=C/c2ccco2)c1	5580800	KFZCZGMNMZRXFE-KPKJPENVSA-N	232.195	2.644	30	50	BFEA	
CC1(C)[C@@H]2C=C(C[C@@H](O)[C@H]3CO3)[C@@]1(C)CC2	257357022	LQAFXQTYXRNOOU-LEJCRSTHSA-N	222.328	2.519	30	50	BFEA	
C=CCCCCCN1CC[S@](=O)CC[C@H]1C	328587679	FBSSBVXFSQVUCN-CZUORRHYSA-N	243.416	2.576	30	50	BFEA	
C=CCOc1c(C)cc(C(=O)O)cc1C	2029544	BJPBXFYIWSDQPA-UHFFFAOYSA-N	206.241	2.566	30	50	BFEA	
O=C1/C(=C\c2ccc(Cl)cc2)N2CCC1CC2	12368688	KHICWBBWZMQJKM-UKTHLTGXSA-N	247.725	2.976	30	50	BFEA	
C=C/C(O)=N/[C@H](C)[C@@H]1CCCN(C2CCC2)C1	328600533	YJSYEBGLPVAYIZ-VXGBXAGGSA-N	236.359	2.782	30	50	BFEA	
N#CC[C@@H]1CN2CC[C@H]1[C@H](c1ccccc1)C2	4723167	RTHQMNDUVQEPLS-KFWWJZLASA-N	226.323	2.636	30	50	BFEA	
COc1ccccc1/C=C/C(=O)c1ccncc1	5211059	PVHPZPKHRNPXOT-VOTSOKGWSA-N	239.274	2.986	30	50	BFEA	
Cc1ccc(Cl)cc1NC(=S)C#N	398677	NBEYHEFECIMZAG-UHFFFAOYSA-N	210.689	2.911	30	50	BFEA	
Cc1ccnc(/N=C/c2ccccc2O)c1	1768217	XCRFLWQHRLBXSU-OQLLNIDSSA-N	212.252	2.846	30	50	BFEA	
C=CCOc1cccc(OCC=C)c1[N+](=O)[O-]	71780546	SNLOSLVMUDYYHI-UHFFFAOYSA-N	235.239	2.724	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)Nc1nc(C2CC2)c[nH]1	289352601	LRMZCCUOGJRBGV-SECBINFHSA-N	233.315	2.828	30	50	BFEA	
CCc1ccc([C@]2(CC)O[C@H]2C#N)cc1	307233131	POYRWLYNONPPEL-STQMWFEESA-N	201.269	2.777	30	50	BFEA	
CC(C)Oc1cccc(OC[C@H]2O[C@@H]2C)c1	1875325069	HNZJJBYWLBMRGZ-ZWNOBZJWSA-N	222.284	2.640	30	50	BFEA	
O=C([C@H]1CO1)N1CCCCC[C@H]1c1ccccc1	1875372921	PUKDCIFGWKTEPV-UONOGXRCSA-N	245.322	2.529	30	50	BFEA	
N#CCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	113909	URTLLRGORUKPOJ-UHFFFAOYSA-N	245.263	2.784	30	50	BFEA	
N#Cc1cc(Cl)cc(Br)c1	15020598	DRKWKPSNVQVDKZ-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	250523950	NWAHZAIDMVNENC-QNWJLWSRSA-N	220.312	2.930	30	50	BFEA	
N#Cc1cc(F)cc(C(F)(F)F)c1F	263623120	DUHCJVHWLAUHJU-UHFFFAOYSA-N	207.101	2.855	30	50	BFEA	
Cc1n[nH]cc1-c1ccc(C#N)c(Cl)c1	725271237	ASJHFFWVHNJRDR-UHFFFAOYSA-N	217.659	2.910	30	50	BFEA	
Cc1ccc2c(c1)[C@]1(C)C=CC(=O)C[C@@H]1O2	338953	RGTPQXAKJODXMX-KBPBESRZSA-N	214.264	2.543	30	50	BFEA	
CCCCCCCC[C@@H]1CC1(C(=O)O)C(=O)O	2495400	XAKBPRNOVFOBGE-SNVBAGLBSA-N	242.315	2.913	30	50	BFEA	
C=C(C)COc1ccc(C=O)cc1OCC	19094243	GJMOOYUPIDSNJK-UHFFFAOYSA-N	220.268	2.853	30	50	BFEA	in-vitro
Cc1cc(Br)ccc1CC#N	83593243	JVPNKXZIJKBMDH-UHFFFAOYSA-N	210.074	2.824	30	50	BFEA	in-vitro
CN1CCSC1=CC=Nc1ccccc1	1857524695	PTROZTUDAJIDBT-UHFFFAOYSA-N	218.325	2.909	30	50	BFEA	
CCOc1cc(C#N)cc(Cl)c1OC(C)=O	619291	VXKDAEJAANSKHK-UHFFFAOYSA-N	239.658	2.536	30	50	BFEA	
N#Cc1cc(Br)ccc1Cl	2567826	NKDMQBUJOXQVEA-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
COc1ccc(-c2csc(N)c2C#N)cc1	5670691	QNIPKTMXJFZLMN-UHFFFAOYSA-N	230.292	2.878	30	50	BFEA	in-vitro
CC(C)(C)CC(=O)Nc1sccc1C#N	6823552	CXGYCKYOPOPLED-UHFFFAOYSA-N	222.313	2.994	30	50	BFEA	
C=C1CCc2c(c3ccccc3n2C)C1=O	21301192	AGQJDIDJKSFVTC-UHFFFAOYSA-N	211.264	2.863	30	50	BFEA	in-vitro
C=CCC(N)(CC=C)CC(=O)OC(C)(C)C	63772466	QURQIBNRVVEBRS-UHFFFAOYSA-N	225.332	2.568	30	50	BFEA	
CC(C)(C)OC(=O)c1cccc(C#N)c1	68813268	ASCIDWNCPZKTCI-UHFFFAOYSA-N	203.241	2.514	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1cncc(Cl)c1	197637330	NAMUZWXILOMIGX-UHFFFAOYSA-N	209.752	2.964	30	50	BFEA	in-vitro
N#Cc1cc(F)c(OC(F)(F)F)c(F)c1	263625008	VZXCVRQBRMONGP-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
N#Cc1nccnc1N[C@@H]1CC[C@@H]2CCC[C@H]2C1	329637126	VNGGSONHLUZJGQ-SDDRHHMPSA-N	242.326	2.729	30	50	BFEA	
COc1ccc(F)c(-c2ncccc2C#N)c1	67739571	ZSRARQQLKZEAPG-UHFFFAOYSA-N	228.226	2.768	30	50	BFEA	
CC(=O)/C(Cl)=N\Nc1ccccc1Cl	104499273	GDHYSSOCKWDUHA-UKTHLTGXSA-N	231.082	2.893	30	50	BFEA	
O=C([C@H]1CO1)N1CCCCC[C@@H]1c1ccccc1	1875372922	PUKDCIFGWKTEPV-ZIAGYGMSSA-N	245.322	2.529	30	50	BFEA	
N#CCc1nc(-c2cccc([N+](=O)[O-])c2)cs1	137858	ABKAYHUEIOAOGT-UHFFFAOYSA-N	245.263	2.784	30	50	BFEA	
N#CC(C#N)=NNc1cccc(Cl)c1Cl	272471	ZTURGYPZSAQJDJ-UHFFFAOYSA-N	239.065	2.808	30	50	BFEA	
N#Cc1ccc(OC(=O)N2CCCCC2)cc1	616231	UTYVDAXIPFPNKN-UHFFFAOYSA-N	230.267	2.543	30	50	BFEA	
CC(=O)O/N=C1\CCCc2c1[nH]c1ccccc21	281691	UWMZPNMLGDABCJ-DTQAZKPQSA-N	242.278	2.771	30	50	BFEA	
C=CCc1c(C)[nH]c(=S)c(C#N)c1C	495258	DTAKRPFXUUWVDI-UHFFFAOYSA-N	204.298	2.961	30	50	BFEA	
O=[N+]([O-])c1cc2c(s1)CCCC/C2=N\O	4007158	RVGPMCAQOOYMFJ-JXMROGBWSA-N	226.257	2.561	30	50	BFEA	
C=CCSc1nc(O)c2sccc2n1	8873081	QWELKKMMJMSCLJ-UHFFFAOYSA-N	224.310	2.675	30	50	BFEA	
N#Cc1c(F)ccc(Br)c1F	71792184	IORVOBJVFPHSKR-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
C=C(C)[C@@H]1CC=C(CN2CCC[C@@H](CO)C2)CC1	4022280	QQVARLSXVZRUCB-HZPDHXFCSA-N	249.398	2.993	30	50	BFEA	
C=CCOc1cccc(NC(=O)CC)c1	8905539	QQEFUGGZDQCTFR-UHFFFAOYSA-N	205.257	2.600	30	50	BFEA	
Cc1nc(-c2ccccc2C#N)n(C(C)(C)C)n1	96150099	OBEPUCHQNXLBPA-UHFFFAOYSA-N	240.310	2.880	30	50	BFEA	
C=C(C)CNc1nc2c(s1)C(=O)CCC2	195567867	ZRXLAHLAPCMLPG-UHFFFAOYSA-N	222.313	2.650	30	50	BFEA	
CC(Cl)=NOC(=O)Nc1cccc(F)c1	239121245	JOCATTCFNOHYOP-UHFFFAOYSA-N	230.626	2.946	30	50	BFEA	
C=C(Br)Cn1cnc2ccccc21	281483	ITXGAGYNZCLCAZ-UHFFFAOYSA-N	237.100	2.945	30	50	BFEA	
Cc1ccc[n+]([C@H](C)C(=O)c2ccccc2)c1	1955967	SIOSLSBEKQQGLM-CYBMUJFWSA-N	226.299	2.726	30	50	BFEA	
CCCC(=O)Nc1sc(C)c(C)c1C#N	4436520	OOPSQWZKPFOLCY-UHFFFAOYSA-N	222.313	2.975	30	50	BFEA	
CC(C)C[C@](C)(O)C#C[C@](C)(O)CC(C)C	12359964	LXOFYPKXCSULTL-OKILXGFUSA-N	226.360	2.584	30	50	BFEA	biogenic,in-vitro
N#C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1	12650714	GTUBNUQWSDFBEE-ZDUSSCGKSA-N	244.294	2.559	30	50	BFEA	in-vitro
C=CC[C@@H](CCCO)OCc1ccccc1	43199319	QNOSTEKYWYSJFL-AWEZNQCLSA-N	220.312	2.920	30	50	BFEA	
Cn1c2c(c3ccccc31)CCC/C2=N\O	100268074	OOBXCCORQXSCMC-SDNWHVSQSA-N	214.268	2.693	30	50	BFEA	
C=CCOc1c(Cl)cc(C(N)=O)cc1Cl	2006683	QAFXHUDHHDQWJD-UHFFFAOYSA-N	246.093	2.657	30	50	BFEA	
FC(F)C(F)(F)COC(F)(F)C(F)F	2530904	HCBRSIIGBBDDCD-UHFFFAOYSA-N	232.070	2.761	30	50	BFEA	
C/N=C(/S)Nc1cccc(Cl)c1C	13519943	VHYASPXPJBYSEW-UHFFFAOYSA-N	214.721	2.976	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC[C@@H](CC#N)C1	16697670	RWAQULYYWNUYFH-JTQLQIEISA-N	224.304	2.547	30	50	BFEA	in-vitro
C=CCOc1ccc(/C(CC)=N/O)c(OC)c1	100481473	LPLIFBCMDOJGDR-WYMLVPIESA-N	235.283	2.848	30	50	BFEA	
N#Cc1cccc2c1[C@H]1[C@@H]3[C@H]2[C@H]2C=C[C@H]2[C@H]31	247661720	SPIAMXPAJFUTRW-VWYTYQQPSA-N	205.260	2.801	30	50	BFEA	
Cc1cc(NC(=O)ON=C(Cl)C(C)C)no1	252327504	IQUBDUWUOYZXCU-UHFFFAOYSA-N	245.666	2.740	30	50	BFEA	
N#CCc1cccc(OC(F)(F)F)c1	156333	WZLPHJZVNJXHPV-UHFFFAOYSA-N	201.147	2.651	30	50	BFEA	in-vitro
CN(C)c1ccc(/C=N\Nc2ccccn2)cc1	31667584	AODUIAGAJDMVAK-WJDWOHSUSA-N	240.310	2.594	30	50	BFEA	
N#Cc1c(F)cc(OC(F)(F)F)cc1F	263624320	PHTQDUNKRPXJHK-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
O=[N+]([O-])c1ccccc1/C=N/Cc1ccco1	2532471	RCOPTTIBHHTJJB-MDWZMJQESA-N	230.223	2.807	30	50	BFEA	
COc1cccc(/C=C\C(=O)c2ccccn2)c1	4566888	ITGYAJMCQSYXIE-HJWRWDBZSA-N	239.274	2.986	30	50	BFEA	
N#CC/C=N/OCc1ccc(Cl)cc1	5344431	WJMWSQDLLCUMRP-NTUHNPAUSA-N	208.648	2.756	30	50	BFEA	
CC(C)(C)C(=O)Nc1ccnc2cc(C#N)oc12	39961374	IHPVDBFKYPBQHI-UHFFFAOYSA-N	243.266	2.684	30	50	BFEA	
N#Cc1ccccc1CN1CC(c2cccnc2)C1	72128367	IBZDJGJVCXDFJT-UHFFFAOYSA-N	249.317	2.553	30	50	BFEA	
O=C1/C(=N/O)c2ccccc2-c2ccccc21	101073470	SFWCXJFWZCIEFJ-FYWRMAATSA-N	223.231	2.728	30	50	BFEA	
COc1c(OC[C@@H]2CO2)ccc2ccccc12	1875379529	RZLVKKTUVYDISX-NSHDSACASA-N	230.263	2.626	30	50	BFEA	
C=CCSc1ccccc1C(=O)NCC	6742814	MHGGXJGCPJMBSZ-UHFFFAOYSA-N	221.325	2.714	30	50	BFEA	
Cc1nc(C)c(CN2CCC[C@@](C)(C#N)C2)s1	612166541	VLMVWJKNBNBCGH-ZDUSSCGKSA-N	249.383	2.886	30	50	BFEA	
[N-]=[N+]=N/C(=N/O)c1ccc(Br)cc1	685939436	CTWBZVXVMKNBIR-YRNVUSSQSA-N	241.048	2.895	30	50	BFEA	
C[C@H]1CCC[C@]1(C)CNc1cc[nH]c(=N)c1C#N	2325861378	OHCYXZSNTQJTLL-IINYFYTJSA-N	244.342	2.604	30	50	BFEA	
N#Cc1ccccc1COc1ccc(CO)cc1	2837724	BRNBIKDBMFHMNT-UHFFFAOYSA-N	239.274	2.630	30	50	BFEA	
C[Si](C)(C)C#Cc1ccccc1C=O	169744524	IROGCMISRBINQX-UHFFFAOYSA-N	202.329	2.728	30	50	BFEA	
C[Si](C)(C)C#CCC1(O)CCCCC1	169828390	GBFFZZZSCNEOSM-UHFFFAOYSA-N	210.393	2.953	30	50	BFEA	
C[C@H](C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C	214621573	RWMFSSOBMVTXJK-ZJUUUORDSA-N	224.304	2.546	30	50	BFEA	in-vitro
C[C@@H](C=O)c1ccccc1OC(F)(F)F	238382084	RQZDJBZLCBWKFJ-ZETCQYMHSA-N	218.174	2.888	30	50	BFEA	
Cc1cn2c(-c3ccc(N)c(C#N)c3)cccc2n1	1244114920	WRULBGUTTJOWQP-UHFFFAOYSA-N	248.289	2.764	30	50	BFEA	
Cc1cc(O)nc(C=Cc2cccc(C#N)c2)n1	1857529855	NJOXLWMAEZOGGN-UHFFFAOYSA-N	237.262	2.533	30	50	BFEA	
C=C[C@](O)(c1ccccc1)C(F)(F)F	4284371	QZTXJLLJGFCKCH-VIFPVBQESA-N	202.175	2.623	30	50	BFEA	
Nc1cccc(C(=O)/C=C\c2ccncc2)c1	4531823	LQGFSBGVVVYAAM-PLNGDYQASA-N	224.263	2.560	30	50	BFEA	
N#CCN[C@H]1CCC[C@@H]1Cc1ccccc1	170607285	PRORSFFSJNZCGC-KGLIPLIRSA-N	214.312	2.511	30	50	BFEA	
CO[C@H]1C=CC[C@H](c2ccccc2)C1(C#N)C#N	333293	SVPZVBGULNAFRK-KGLIPLIRSA-N	238.290	2.779	30	50	BFEA	
Oc1ccccc1/C=N/N=C/c1ccccc1O	1587649	STOVYWBRBMYHPC-KAVGSWPWSA-N	240.262	2.551	30	50	BFEA	in-vitro
CN(C)/C=C/C(=O)c1cc2ccccc2o1	45895549	LYDIXICMUJTETF-BQYQJAHWSA-N	215.252	2.691	30	50	BFEA	
C=CCOc1ccccc1CN1CCSCC1	2489817	ANCBJTYNDGJKLC-UHFFFAOYSA-N	249.379	2.800	30	50	BFEA	
CCCC[C@H](CC)COC(=O)CS	4521867	OWHSTLLOZWTNTQ-VIFPVBQESA-N	204.335	2.676	30	50	BFEA	in-vitro
CCOC(=O)[C@H](CC)[n+]1ccc2ccccc2c1	5593172	SAAUQWPRGNFVTO-AWEZNQCLSA-N	244.314	2.642	30	50	BFEA	
Cc1c(C(=O)/C=C/c2cccc(F)c2)cnn1C	6527530	JFSRSTQZGLEXAH-VOTSOKGWSA-N	244.269	2.764	30	50	BFEA	
CC(=O)c1ccc(CC(C)(C)NCCC#N)cc1	96027967	YYNFRWMZXNEZOV-UHFFFAOYSA-N	244.338	2.714	30	50	BFEA	
CC(=O)/C=C/[C@@H]1C(C)(C)CC[C@@H]2O[C@]21C	101789611	ODMUHAHUBCUABS-TZHJYYBLSA-N	208.301	2.725	30	50	BFEA	
C=C(C)COc1ccccc1NC(=O)C1CC1	9822576	LJTGUYKLNSREPU-UHFFFAOYSA-N	231.295	2.990	30	50	BFEA	
Cc1cc(Br)cc(F)c1C#N	98213428	NQKDPPUHIHCHGG-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
CC(=O)N1Cc2ccccc2C#Cc2ccccc21	224700400	LSIBMABOLKPSEO-UHFFFAOYSA-N	247.297	2.953	30	50	BFEA	
C#CCOC(=O)Nc1ccc(Cl)cc1	1673342	ILZPTYLLCMOROP-UHFFFAOYSA-N	209.632	2.522	30	50	BFEA	
CCc1nc2sc(C#N)c(N)c2cc1C	47872	SQKAQFNTCKNDFF-UHFFFAOYSA-N	217.297	2.621	30	50	BFEA	
CCn1c(C)[n+](CC)c2cc(C#N)c(Cl)cc21	390942	CRAIMQOPTIXXPJ-UHFFFAOYSA-N	248.737	2.802	30	50	BFEA	
COc1cccc(/C=N/c2ncccc2C)c1O	8657065	BEOASCUMYZJVAY-CXUHLZMHSA-N	242.278	2.855	30	50	BFEA	
C=CCc1cc(C(=O)N[C@@H](C)CC)ccc1OC	14398624	MAYRDBXHEHMXKF-NSHDSACASA-N	247.338	2.952	30	50	BFEA	
Cc1cccc(/C=N\OCCc2ccccc2)n1	14807818	MPPVJGPJOIUGCV-VBKFSLOCSA-N	240.306	2.983	30	50	BFEA	
C=CCOc1ccc(Br)cc1CO	2837861	LBKGGLGIUVMBSH-UHFFFAOYSA-N	243.100	2.506	30	50	BFEA	
N#Cc1cccc(-c2cc(O)cc(C(=O)O)c2)c1	65349637	QYZVOMJDXIGJQH-UHFFFAOYSA-N	239.230	2.629	30	50	BFEA	in-vitro
CC1(C)COB(c2ccc3ccccc3c2)OC1	169806798	PYUGEXFBFIGNIR-UHFFFAOYSA-N	240.111	2.608	30	50	BFEA	in-vitro
CCCc1cccc(B2OC(C)(C)C(C)(C)O2)c1	200173254	JGNYJUVXKHWGOD-UHFFFAOYSA-N	246.159	2.938	30	50	BFEA	
CC(C)(C)OC(=O)NCCc1ccc(C#N)cc1	16697428	KAOXDKZFTYWETQ-UHFFFAOYSA-N	246.310	2.625	30	50	BFEA	
C[C@H](N[C@H]1CC[C@@H](C#N)C1)c1cccc(O)c1	282255066	JQVJPVQSSRUJML-LOWVWBTDSA-N	230.311	2.735	30	50	BFEA	
COc1ccc(-c2csc(CC#N)n2)cc1	3218468	PVJHQECSHPIPKG-UHFFFAOYSA-N	230.292	2.885	30	50	BFEA	in-vitro
Cc1cc2n(c(=O)c1C#N)CC(c1ccccc1)=C2	4126902	YLSWSSCRJOUHEH-UHFFFAOYSA-N	248.285	2.583	30	50	BFEA	
C=CCN(CC=C)Cc1nc2ccccc2[nH]1	19939660	OTWAOBUVLIDZRG-UHFFFAOYSA-N	227.311	2.737	30	50	BFEA	
C[C@@H](CC=O)NC(=O)c1cc2ccccc2s1	71786954	ZDXIOEXKGCMMBF-VIFPVBQESA-N	247.319	2.609	30	50	BFEA	
N#C[C@@H]1CC[C@@H](N2CC[C@@H](c3ccncc3)C2)C1	571578325	IJRIRIVJFINNFM-BPLDGKMQSA-N	241.338	2.563	30	50	BFEA	
Clc1cccc2cc(OC[C@H]3CO3)cnc12	1875378516	FDVMVSXXSSTIQM-JTQLQIEISA-N	235.670	2.666	30	50	BFEA	
N#CCC(=O)c1cccc(C(F)(F)F)c1	128855	GEPORLBYZLQDOB-UHFFFAOYSA-N	213.158	2.802	30	50	BFEA	in-vitro
CCCC[C@@H](C#N)SC[C@@H]1CCCO1	1875369134	RZERLCKPMDYVQT-QWRGUYRKSA-N	213.346	2.981	30	50	BFEA	
C#C[C@](C)(CC)NC(=O)Cc1ccc(Cl)cc1	100191	YHKJMJLZAYRJFX-CQSZACIVSA-N	249.741	2.801	30	50	BFEA	
N#C[C@@]12CCCC[C@H]1CCC1(C2)OCCO1	393195	XDZWVZVEAHGFPL-RYUDHWBXSA-N	221.300	2.614	30	50	BFEA	
Cc1c(C#N)[nH]c(C2SCCS2)c1C	2518971	XIATWMXCFFFAOA-UHFFFAOYSA-N	224.354	2.982	30	50	BFEA	
C=CCC(=O)N1CCC[C@H](Nc2ccccc2)C1	12448777	GQPUBJURGIFEQE-AWEZNQCLSA-N	244.338	2.666	30	50	BFEA	
C=C(C)[C@@H]1CC[C@@H](C)O[C@@H]1CN1CCCC1	12660487	OESHVYGQGUCFKO-HZSPNIEDSA-N	223.360	2.842	30	50	BFEA	biogenic
N#Cc1ccc([C@H](O)c2ccc(F)cc2)cc1	38339594	VLJOTZAUMWJXDO-AWEZNQCLSA-N	227.238	2.779	30	50	BFEA	in-vitro
N#Cc1ccccc1CN1Cc2ccccc2C1=N	100726354	AAQXKENJNQTXEG-UHFFFAOYSA-N	247.301	2.899	30	50	BFEA	
CCO/C=C(\C)C(=O)c1ccc(F)cc1	308775136	JSGUVFTYRIUCAF-CMDGGOBGSA-N	208.232	2.949	30	50	BFEA	
C[C@@H]1C[C@@H]1/N=C(/O)C[C@H]1CCCCC(O)=N1	328652068	JWGAXISNKWSKAL-BBBLOLIVSA-N	224.304	2.641	30	50	BFEA	
C=C(CO)c1cc2c(cc1O)CCC[C@@H]2C	2332922384	YBXGAUIYZOSEBF-VIFPVBQESA-N	218.296	2.838	30	50	BFEA	
CN(C)/C=C/C(=O)/C=C/c1ccc(Cl)cc1	159565	QUKRUPURRGVIDX-CPSCNVPRSA-N	235.714	2.998	30	50	BFEA	
CC(C)(C)[C@@](C)(O)C#C[C@](C)(O)C(C)(C)C	2868447	QDCJURCJXBBNBG-KBPBESRZSA-N	226.360	2.584	30	50	BFEA	
O=C(/C=C/c1ccccc1)c1cccnc1	12416478	PINRHPDVUJVFDC-CMDGGOBGSA-N	209.248	2.978	30	50	BFEA	
C=C[C@H]1CCCCN1C(=O)OC(C)(C)C	34586133	RZTACBWUQPTZHE-JTQLQIEISA-N	211.305	2.962	30	50	BFEA	
C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C#N)C1	6248369	APLJWVBOLYEGMA-JTQLQIEISA-N	245.282	2.703	30	50	BFEA	
N#Cc1ccccc1COc1cccc(C=O)c1	15423243	VHOIEMOIWWFYEJ-UHFFFAOYSA-N	237.258	2.950	30	50	BFEA	
CC[C@@H](CC#N)NC(=O)C1=C[C@](C)(CC)C1	1775997368	CTMSCWXRBCHUHV-AAEUAGOBSA-N	220.316	2.541	30	50	BFEA	
Cc1cc(-c2cccnc2)ccc1OC[C@H]1CO1	1857779887	WLSMQURKMGYTMC-CQSZACIVSA-N	241.290	2.835	30	50	BFEA	
C=C(C)COc1cccc(NC(=O)CC)c1	8723226	USBKIOVRBCAUMX-UHFFFAOYSA-N	219.284	2.990	30	50	BFEA	
CS/C(N)=N/c1ccc(Cl)cc1	95628196	RVVNEQQMDNKLRB-UHFFFAOYSA-N	200.694	2.649	30	50	BFEA	
C[C@@H](NCC1(C#N)CCC1)c1cc(F)ccc1O	585134889	OCYKQYDRVBCHKN-SNVBAGLBSA-N	248.301	2.876	30	50	BFEA	
COc1c(OC[C@H]2CO2)ccc2ccccc12	1875379528	RZLVKKTUVYDISX-LLVKDONJSA-N	230.263	2.626	30	50	BFEA	
C/C(=N\O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C	274657	BSOGYCPJWMOCCD-SQOGWDEMSA-N	241.331	2.841	30	50	BFEA	
C=C(C)Cn1c(CCCO)nc2ccccc21	8656207	KNYRUUYXTNRFTP-UHFFFAOYSA-N	230.311	2.537	30	50	BFEA	
COc1ccc(C)cc1-c1cc(C#N)ccn1	32550951	CCNCGHOSHXOQKQ-UHFFFAOYSA-N	224.263	2.937	30	50	BFEA	
Cc1ccc(F)c(C#N)c1Br	204757074	IFKXUQSSXXKPNN-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	
c1nc(-c2ccc(OC[C@@H]3CO3)cc2)cs1	1875378462	DIIQQMNVVJMJDP-LLVKDONJSA-N	233.292	2.588	30	50	BFEA	
C1CC12CCC13CC[C@]4(CO4)C21[C@]1(CC3)CO1	45071535	DKOVEYNPQMTMHN-GQKFXUNGSA-N	232.323	2.659	30	50	BFEA	
Cc1noc(C)c1-c1nc2cc(C#N)ccc2[nH]1	123223136	VOGHMZHHOSWQCL-UHFFFAOYSA-N	238.250	2.706	30	50	BFEA	
CN(C(=O)c1ccc(F)c(C#N)c1)[C@@H]1CC1(C)C	253392545	FXJPCHBTPJMPEK-GFCCVEGCSA-N	246.285	2.568	30	50	BFEA	
CC(C)c1ccc(NC(=O)CC#N)cc1	483425	DJILJMIVNTYFGG-UHFFFAOYSA-N	202.257	2.662	30	50	BFEA	in-vitro
C=CCCCOc1ccc(C(=O)O)cc1	2485620	RQQKUZDJSZVTFZ-UHFFFAOYSA-N	206.241	2.730	30	50	BFEA	
N#Cc1c(Cl)ncnc1-c1ccccc1	343495	BFQQETAXLWKTMY-UHFFFAOYSA-N	215.643	2.669	30	50	BFEA	
O=C1N/C(=N\c2ccccc2)c2ccccc21	6190309	QVNMXIXTWWOKCP-UHFFFAOYSA-N	222.247	2.508	30	50	BFEA	
N/C(S)=N\Nc1ccc(Cl)c(Cl)c1	13658704	KFDCINBRGZTQLH-UHFFFAOYSA-N	236.127	2.565	30	50	BFEA	
C[C@H]1CCCN(c2ccccc2OC[C@H]2CO2)C1	1857780266	YHYZEYKUYOFQSE-QWHCGFSZSA-N	247.338	2.701	30	50	BFEA	
C[C@](C#N)(Nc1ccccc1)c1ccncc1	163512	KENMTKQYDZUVPZ-CQSZACIVSA-N	223.279	2.932	30	50	BFEA	
C=CCNC(=O)Nc1ccccc1CC	2166450	NDRHMIYGINDPEY-UHFFFAOYSA-N	204.273	2.557	30	50	BFEA	
Cc1cnc([C@@H](C)Nc2snc(C)c2C#N)o1	231761025	UTVNNBWXVPTWPC-MRVPVSSYSA-N	248.311	2.793	30	50	BFEA	
CCCCCCCCCC[C@@H](O)C(=O)O	1671060	YDZIJQXINJLRLL-LLVKDONJSA-N	216.321	2.963	30	50	BFEA	biogenic,in-vitro
CCc1nnc(SCc2ccccc2C#N)o1	6697377	XWSFFKPSXJJTCQ-UHFFFAOYSA-N	245.307	2.796	30	50	BFEA	
N#Cc1cccc(-c2cccc(C=O)c2O)c1	65341767	OGDANKKNPVLHPK-UHFFFAOYSA-N	223.231	2.743	30	50	BFEA	
Cc1ccc2[nH]c3c(c2c1)CCC/C3=N\O	188370	KODQVCCADXQRDY-NTCAYCPXSA-N	214.268	2.991	30	50	BFEA	
CN(CCC#N)Cc1ccccc1Cl	19834149	XMWGIELNBJJTGB-UHFFFAOYSA-N	208.692	2.685	30	50	BFEA	
COC(=O)[C@]12CC=CC[C@@]1(C#N)CCCC2	71785604	RGPYJYDNLUARHT-QWHCGFSZSA-N	219.284	2.580	30	50	BFEA	
Cc1cc(NC2=CC(=O)CC(C)(C)C2)no1	100158340	XWTNFBOFMHIMAT-UHFFFAOYSA-N	220.272	2.668	30	50	BFEA	
C=C(C)CN(C)C(=O)c1cc(O)nc(C(C)C)c1	155719262	IUNMHZFMTWDZKT-UHFFFAOYSA-N	248.326	2.559	30	50	BFEA	
CC1(C)SC[C@H]1NCc1cccc(C#N)c1	282649380	HQRJLCTXMFYCMV-GFCCVEGCSA-N	232.352	2.542	30	50	BFEA	
C=CCn1c(CCc2ccccc2)n[nH]c1=S	2522267	SUVDKGDAFNEOAN-UHFFFAOYSA-N	245.351	2.912	30	50	BFEA	in-vitro
COCCC/N=C(/S)Nc1ccccc1C	8687595	CXVKTOVNRJTRCV-UHFFFAOYSA-N	238.356	2.729	30	50	BFEA	
C=CCNC(=O)[C@H](C)Oc1ccccc1C(C)C	20486740	RYKOCBGGBALLLF-LBPRGKRZSA-N	247.338	2.880	30	50	BFEA	
N#Cc1ccc2[nH]c(-c3cccc(O)c3)nc2c1	55255139	BFSYHSUNPZYCNZ-UHFFFAOYSA-N	235.246	2.807	30	50	BFEA	
C=CCNC(=O)c1c(-c2ccccc2)noc1C	2752783	GHXORLQEYUSGGT-UHFFFAOYSA-N	242.278	2.566	30	50	BFEA	
O=c1[nH]c2ccc(/N=C\c3ccccc3)cc2[nH]1	109340032	OBCVAVGTHLINHM-DHDCSXOGSA-N	237.262	2.607	30	50	BFEA	
C[C@@]1(c2ccc(Br)cc2)O[C@@H]1C#N	306361678	QDEZPKYZQTVANL-ZJUUUORDSA-N	238.084	2.587	30	50	BFEA	
CC1=C(B2OC(C)(C)C(C)(C)O2)CCCC1=O	306906678	ZQERQNZHHRBQQU-UHFFFAOYSA-N	236.120	2.687	30	50	BFEA	
CC1=NOC(=O)[C@@H]1/N=N/c1cccc(Cl)c1	101922252	XPMCSTPXJPIPNF-TWLKNAOBSA-N	237.646	2.725	30	50	BFEA	
N#CCc1c(F)cc(Br)cc1F	2243324	LAQFPQSYKMWFAW-UHFFFAOYSA-N	232.027	2.793	30	50	BFEA	in-vitro
O=C1C=CCCCC[C@@]1(O)Cc1ccccc1	101083803	MJEMTPWORMLEJL-OAHLLOKOSA-N	230.307	2.660	30	50	BFEA	
Cc1ccc(F)cc1CNCCCCC#N	134534022	JBGLZLDGERHSNB-UHFFFAOYSA-N	220.291	2.918	30	50	BFEA	
C=CCC[C@@H](C)Sc1nncs1	379316132	XBFPZOHQEIIHQL-SSDOTTSWSA-N	200.332	2.985	30	50	BFEA	
CCc1n[nH]c(=S)n1/N=C/c1ccc(C)cc1	6519861	GFQJERMWCNYKNC-MDWZMJQESA-N	246.339	2.694	30	50	BFEA	
CCC[C@H](C)[C@@](C#N)(CC)C(=O)OCC	49588687	FOGOQVLUCORCHH-JQWIXIFHSA-N	211.305	2.906	30	50	BFEA	
C=C/C(O)=N/Cc1cc(-c2ccccc2)on1	328594369	FYPDYVZZQBCMLO-UHFFFAOYSA-N	228.251	2.984	30	50	BFEA	
N#C[C@H](c1ccccc1)c1ccc(Cl)nn1	169379	AVFQUMVXIBTANI-SNVBAGLBSA-N	229.670	2.785	30	50	BFEA	in-vitro
N#CC1[C@H]2CC[C@H]1CN(Cc1ccccc1)C2	166213187	GTIQIRBEEJPFTL-KBPBESRZSA-N	226.323	2.668	30	50	BFEA	
COc1ccccc1CNC1CCC(C#N)CC1	258859281	RUXPQSKRVGCVEM-UHFFFAOYSA-N	244.338	2.867	30	50	BFEA	
C=C1C[C@H]1C(=O)N1CCCC[C@H](SCC)C1	585132200	QKOGOKWZALREJH-NWDGAFQWSA-N	239.384	2.697	30	50	BFEA	
C=C(C)[C@@H]1CC=C(CN2CCC[C@H]2CO)CC1	4021094	FGWKUVQCXOEULL-CABCVRRESA-N	235.371	2.746	30	50	BFEA	
CCCCCCCCCNC(=O)CC#N	97941737	ZGUOPDXQMYCTEF-UHFFFAOYSA-N	210.321	2.767	30	50	BFEA	
Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C	169975033	JKDFOFHMRVPTMO-UHFFFAOYSA-N	232.132	2.603	30	50	BFEA	in-vitro
CC1(C#N)CN(Cc2ccccc2C2CC2)C1	590967870	IHPNALHSJNXOGN-UHFFFAOYSA-N	226.323	2.909	30	50	BFEA	
CCC#CCN1CCOc2ccc(Cl)cc2C1	1529101840	OGLWXTYQDFZOEB-UHFFFAOYSA-N	249.741	2.948	30	50	BFEA	
N#CC[N+]1(Cc2ccccc2)CCCCC1	301483	QTMWRNJBMJWTSC-UHFFFAOYSA-N	215.320	2.711	30	50	BFEA	
N#CCC(=O)Nc1cccc(Cl)c1Cl	3529927	PAARTMNKZUCFOT-UHFFFAOYSA-N	229.066	2.846	30	50	BFEA	in-vitro
CC(C)CC(=O)Nc1ccc(CC#N)cc1	15028871	OUTBTWJAEFQHFB-UHFFFAOYSA-N	216.284	2.737	30	50	BFEA	
O=C(O)C[C@@H]1CCC(c2ccccc2)=CC1=O	34291255	CKQJLFJSJUIOEL-LBPRGKRZSA-N	230.263	2.524	30	50	BFEA	
N#Cc1cc(-c2cc[nH]n2)ccc1C1CC1	725272481	GUMRGNPWZLMOAZ-UHFFFAOYSA-N	209.252	2.826	30	50	BFEA	
CCC(=O)C1=C(O)C[C@H](c2ccccc2)CC1=O	405831	HZVVLXRWSWDFOS-NSHDSACASA-N	244.290	2.924	30	50	BFEA	
N#Cc1ccc(-c2ccccc2CN)cc1	67434057	ZIPLHENYQBYCHT-UHFFFAOYSA-N	208.264	2.684	30	50	BFEA	
CCC[C@]1(C(=O)OCC)O[C@@]1(C)CC(C)C	211970448	VGJJOZJIBFDZRP-QWHCGFSZSA-N	228.332	2.923	30	50	BFEA	
CC(C)(C)OC(=O)N[C@H](CC=O)C1CCCC1	217478323	XYBBNXIVNWNJSG-LLVKDONJSA-N	241.331	2.659	30	50	BFEA	
CC(C)OC[C@@H](C)Nc1ccc(CC#N)cc1	225717171	YQIIADVBKJYBBK-GFCCVEGCSA-N	232.327	2.978	30	50	BFEA	
C[C@@H](N)C12C[C@H]3C[C@@H](CC(S)(C3)C1)C2	820723376	NASGBIMHXZIRHY-HVHKSXCFSA-N	211.374	2.602	30	50	BFEA	
N#Cc1ccc(C=Cc2ccncn2)cc1	1857530222	OUTPENPLPOARAF-UHFFFAOYSA-N	207.236	2.519	30	50	BFEA	
C=C(C)CN(CC)Cc1ccc(O)cc1	277713	HOIUKICGAIJKTQ-UHFFFAOYSA-N	205.301	2.790	30	50	BFEA	
C=CCNC(=O)CSCc1ccc(C)cc1	2958039	PWAMPKSZMZOVQL-UHFFFAOYSA-N	235.352	2.530	30	50	BFEA	
COc1cc(Br)ccc1CC#N	59268606	MKTBTBUHEXXTRR-UHFFFAOYSA-N	226.073	2.524	30	50	BFEA	in-vitro
C[C@@H](C#N)[C@@H]1CCCN1C(=O)OC(C)(C)C	214621521	RWMFSSOBMVTXJK-UWVGGRQHSA-N	224.304	2.546	30	50	BFEA	in-vitro
CC[C@H](C)CO/N=C1/CCCc2n[nH]cc21	1875252987	WVAQRBQDBZSYLZ-YHMWOKNVSA-N	221.304	2.513	30	50	BFEA	
N#Cc1nccnc1N[C@@H]1CC[C@H]2CCC[C@@H]2C1	329637124	VNGGSONHLUZJGQ-IJLUTSLNSA-N	242.326	2.729	30	50	BFEA	
CN(C)N=C1C=C(N2CCCC2)CC(C)(C)C1	334157730	IUAJKIRSUDWOTD-UHFFFAOYSA-N	235.375	2.704	30	50	BFEA	
C=C1CCN(C(=O)C23CC(C(C)(C)C)(C2)C3)C1	2325766678	RSVILBFAZQKTIE-UHFFFAOYSA-N	233.355	2.991	30	50	BFEA	
N#Cc1ccc(CN[C@@H]2CC[C@H](F)C2)s1	308884344	RWVYXJUVEFRUKP-DTWKUNHWSA-N	224.304	2.600	30	50	BFEA	
N#Cc1ccc(F)c(OC(F)(F)F)c1F	396083366	HJESAQICKUPRBX-UHFFFAOYSA-N	223.100	2.735	30	50	BFEA	
N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CC3CCC2CC3)C1	591797768	GGZWKCSHANQQAW-XTNFGFQESA-N	246.354	2.621	30	50	BFEA	
CCCC[C@@H](C)C(=O)Nc1ncc(C#N)s1	864094310	QCEHECVUPJRIMV-MRVPVSSYSA-N	237.328	2.780	30	50	BFEA	
N#Cc1cc(Cl)c(N)cc1C(F)(F)F	98178721	IPRWLSPAJFJPBP-UHFFFAOYSA-N	220.581	2.813	30	50	BFEA	in-vitro
C/C(=C\C(=O)C(F)(F)F)NCc1ccccc1	104211587	PDVLHTFNCXSUQF-VQHVLOKHSA-N	243.228	2.811	30	50	BFEA	
N#CC[C@H]1C[C@H](OCc2ccccc2)C1	299738110	KDHCQHWJIJPVQW-JOCQHMNTSA-N	201.269	2.895	30	50	BFEA	
C=CCCC(=O)Oc1ccc(-c2cn[nH]c2)cc1	328596576	DITKRAOUZMWZIC-UHFFFAOYSA-N	242.278	2.948	30	50	BFEA	
Cc1cc2occ(C#N)c(=O)c2cc1Cl	57929	QJYOVWJKXADAIP-UHFFFAOYSA-N	219.627	2.627	30	50	BFEA	biogenic,in-vitro
Cc1c(C#N)ccc(Br)c1F	67802612	ATWKXXGBCZWOCX-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	
C/C(=C\c1ccccc1)C(=O)CCN(C)C	4575231	BOWBHFNSIUTSMW-VAWYXSNFSA-N	217.312	2.611	30	50	BFEA	
C#CCNC(=O)Nc1ccc(Cl)c(Cl)c1	5938978	WNQAMUYJXZRLES-UHFFFAOYSA-N	243.093	2.748	30	50	BFEA	
CSC(=S)NN=C1CCCCC1	6425111	SXFQFCCHISQZPU-UHFFFAOYSA-N	202.348	2.544	30	50	BFEA	
CC#Cn1c2ccccc2c(=O)c2ccccc21	36380983	LRAICOJVYQWOQX-UHFFFAOYSA-N	233.270	2.984	30	50	BFEA	
CCc1cc(CC)c(/C=N/O)c(CC)c1/C=N\O	101126026	YVCZCIUCJDTVGQ-IZKYPSLPSA-N	248.326	2.990	30	50	BFEA	
C/C(=N\N=C(/C)c1cccnc1)c1cccnc1	12342964	AUVSPPFSWHBKLQ-JYFOCSDGSA-N	238.294	2.710	30	50	BFEA	
CC1(C)OB([C@@H]2CC23CCOCC3)OC1(C)C	725268758	UAHHPIOZEURCBR-SNVBAGLBSA-N	238.136	2.649	30	50	BFEA	
CCCCCCCC[S@@](=O)CCC(=O)O	17357184	XVNOLOWZGLUMGU-HNNXBMFYSA-N	234.361	2.570	30	50	BFEA	
COC1=CC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C(C)C)[C@@H]12	104298724	WCQTUYNZJTUGAZ-WBRVRECLSA-N	218.296	2.708	30	50	BFEA	
C[C@@H]1CCN(CCC#N)[C@@H]2CCCC[C@@H]12	229649828	YUBPZRYARLEOFT-FRRDWIJNSA-N	206.333	2.801	30	50	BFEA	
CCn1ncnc1-c1ccc(C(C)(C)C#N)cc1	426488433	QRIMMZLVXWZPCO-UHFFFAOYSA-N	240.310	2.766	30	50	BFEA	
C=CCNc1ccc(-c2ccccc2)nn1	28580628	URSAFXNBEMEOSE-UHFFFAOYSA-N	211.268	2.742	30	50	BFEA	
Cc1cc(Br)c(C#N)nc1Cl	115015221	KTNIOKHUGSUQRF-UHFFFAOYSA-N	231.480	2.678	30	50	BFEA	
C=CC[Si](C)(C)c1ccc(OC)cc1	170172448	BEKRXBQZYQZFBV-UHFFFAOYSA-N	206.361	2.797	30	50	BFEA	
Cc1ccc(C(=O)/C=C(/N)C(F)(F)F)cc1	5044498	ITPWYJOACKZIPX-UXBLZVDNSA-N	229.201	2.583	30	50	BFEA	
COc1ccc(/C(=N\O)c2ccccc2)c(O)c1	100331477	CGMYMXLVMLLWHC-PFONDFGASA-N	243.262	2.627	30	50	BFEA	
O/N=C1\c2ccccc2-c2nc3ccccc3nc21	100561477	SZHHSFHOIDCNLD-NBVRZTHBSA-N	247.257	2.837	30	50	BFEA	
CCO[C@@H]1C[C@H](N[C@@H](CC)CC#N)C12CCC2	227117133	SAIPQXUFAYWMCZ-RWMBFGLXSA-N	236.359	2.616	30	50	BFEA	
CCC[C@@]12CCC(=O)C=C1CCCC2=O	208521	FTUKEQBLEYMNMQ-CYBMUJFWSA-N	206.285	2.815	30	50	BFEA	
CCCc1ccc(-c2ccc(C#N)c(=O)[nH]2)cc1	16676241	YVSDQWBROXINKQ-UHFFFAOYSA-N	238.290	2.866	30	50	BFEA	
CCCCCCCCN1N=C(C)CC1=O	100000855	RMWAUOKTFDJYCD-UHFFFAOYSA-N	210.321	2.955	30	50	BFEA	
CC1(C)OB(Cc2cccc(C#N)c2)OC1(C)C	221142617	KSRQVEBUMGQLQE-UHFFFAOYSA-N	243.115	2.732	30	50	BFEA	
N#CCc1ncc(Cl)cc1C(F)(F)F	238567683	UYTDZNFNZMQCOS-UHFFFAOYSA-N	220.581	2.820	30	50	BFEA	
CC(=O)/C(Cl)=N/Nc1cccc(C)c1	8383120	GNRUGHRKUSMOBX-RAXLEYEMSA-N	210.664	2.548	30	50	BFEA	
CC1(CC#N)CCN(C(=O)OC(C)(C)C)CC1	113627488	PRMYRRODTPOYIU-UHFFFAOYSA-N	238.331	2.937	30	50	BFEA	
[O-]/[N+](=C\c1ccccc1)Cc1ccccc1	1737113	UBINNYMQZVKNFF-PTNGSMBKSA-N	211.264	2.816	30	50	BFEA	
C=C(C)CN(CC)CCC(=O)Nc1ccccc1	2765135	CZVYGACHBZEEEF-UHFFFAOYSA-N	246.354	2.913	30	50	BFEA	
CC(C)[C@@H](C)CN=C1NC[C@@H](c2ccccc2)N1	2325790594	XCHQZPOIIUYSPY-JSGCOSHPSA-N	245.370	2.569	30	50	BFEA	
C#C[C@](C)(CC)NC(=O)CCc1ccccc1	100199	ZWUDLAISSVORPP-OAHLLOKOSA-N	229.323	2.537	30	50	BFEA	
N#C[C@H]1CCCCN1C(=O)OCc1ccccc1	16697513	NENRYYPPHIHDHC-CYBMUJFWSA-N	244.294	2.701	30	50	BFEA	
N#Cc1cccc(-n2cc(Br)cn2)c1	98181780	WUOGJTKLBOEUEW-UHFFFAOYSA-N	248.083	2.506	30	50	BFEA	
C=C/C(O)=N/CCCN(C)c1ccccc1F	328599019	PUQBZUJGXODAFT-UHFFFAOYSA-N	236.290	2.795	30	50	BFEA	
CSC(N=CN(C)C)=Nc1ccccc1	380462356	LSIPRERFGOLUIE-UHFFFAOYSA-N	221.329	2.627	30	50	BFEA	
Cc1ccncc1-c1ccc(OC[C@H]2CO2)cc1	1857780903	ZRDOLWRTEPBSQH-AWEZNQCLSA-N	241.290	2.835	30	50	BFEA	
Cc1noc(C)c1-c1ccc(OC[C@@H]2CO2)cc1	1875378555	GDLVQDNOLICAEU-CYBMUJFWSA-N	245.278	2.736	30	50	BFEA	
Cc1cnnc(-c2ccc(C#N)cc2)c1C	2356157807	RMBQAWMHIIRRLF-UHFFFAOYSA-N	209.252	2.632	30	50	BFEA	
N#Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	163245	LPVFWLRZUKSHEK-UHFFFAOYSA-N	214.180	2.726	30	50	BFEA	
N#Cc1ccc(OCc2ccccc2)nc1	19479587	JCNCJLHDANUPGQ-UHFFFAOYSA-N	210.236	2.532	30	50	BFEA	in-vitro
COc1ccc(CNc2ncccc2C#N)cc1	19505383	REHJUGIWJJBCMY-UHFFFAOYSA-N	239.278	2.574	30	50	BFEA	
CC1CCN(c2cccc(C#N)c2C#N)CC1	225387204	DHDQPQHDUHSKBT-UHFFFAOYSA-N	225.295	2.666	30	50	BFEA	
N#C[C@@H]1CC[C@@H](N2CCC(C(F)F)CC2)C1	336023659	CSGWRERPDHEXMB-MWLCHTKSSA-N	228.286	2.656	30	50	BFEA	
c1ccc2c(c1)c1c(n2C[C@@H]2CO2)CCCC1	21085412	HPEFFMHRKFBRLQ-LLVKDONJSA-N	227.307	2.919	30	50	BFEA	
C=CCN(C)C(=O)N[C@H]1CCc2c(C)cccc21	170601817	YTYIDAHVNGIVGB-AWEZNQCLSA-N	244.338	2.810	30	50	BFEA	
Cc1ccc(/C=N/[S@](=O)C(C)(C)C)cc1	196343356	CIQHJZHMIYCJTP-BMQCOBNYSA-N	223.341	2.876	30	50	BFEA	
C=CCN(CCCC(=O)O)Cc1ccc(C)cc1	1529125707	YBCJSXAHDLFJJS-UHFFFAOYSA-N	247.338	2.848	30	50	BFEA	
CSc1nc2c(cc1C#N)CCCC2	11535927	QDBBHPGXQYWTIS-UHFFFAOYSA-N	204.298	2.554	30	50	BFEA	
C=C[C@@H](C)OC(=O)c1occc1Br	187510004	MIEAYRVEZFRJNN-ZCFIWIBFSA-N	245.072	2.773	30	50	BFEA	
C#Cc1cccc(CNCc2cccc(C#C)c2)c1	253496138	KHKQWUSDQFBWHQ-UHFFFAOYSA-N	245.325	2.939	30	50	BFEA	
N#Cc1cnccc1C=Cc1ccc(O)cc1	1857529847	WMPXFDVNTDGPCL-UHFFFAOYSA-N	222.247	2.829	30	50	BFEA	
N#Cc1ccc(Br)cc1-n1cccn1	165996792	QBIXFOXMXRADNV-UHFFFAOYSA-N	248.083	2.506	30	50	BFEA	
C=C(C)COc1ccccc1NC(=O)N1CCC1	96136335	GUZDRQRYZDXIRL-UHFFFAOYSA-N	246.310	2.879	30	50	BFEA	
CC(C)(C)[S@@](=O)/N=C/C1CCCC1	147978974	UCOGKZLKACTCDX-YKWSONSWSA-N	201.335	2.710	30	50	BFEA	
Cc1cc(O)nc(/C=C/c2cccc(C#N)c2)n1	167834810	NJOXLWMAEZOGGN-AATRIKPKSA-N	237.262	2.533	30	50	BFEA	
C[C@@H]1O[C@H]1COc1cccc(-c2nccs2)c1	1875324818	CDQMDXMFGJYCGN-CABZTGNLSA-N	247.319	2.976	30	50	BFEA	
C=C[C@](C)(CC)C(=O)Nc1snc(C)c1C#N	331303881	ANYBHEFTOGTNHH-GFCCVEGCSA-N	249.339	2.864	30	50	BFEA	
Clc1cccc2cc(OC[C@@H]3CO3)cnc12	1875378517	FDVMVSXXSSTIQM-SNVBAGLBSA-N	235.670	2.666	30	50	BFEA	
N/C(=N/O)C(c1ccccc1)c1ccccc1	13153918	KTMXYVWQDZLZAI-UHFFFAOYSA-N	226.279	2.565	30	50	BFEA	in-vitro
CC(=O)/C=C(\OB(F)F)c1ccc(F)cc1	169805603	FFUAFBSKYHQKCJ-POHAHGRESA-N	227.978	2.696	30	50	BFEA	
CC(C)(C)OC(=O)NCc1ccc(C#N)cc1	34483105	NCGBJBDHEYDWEC-UHFFFAOYSA-N	232.283	2.583	30	50	BFEA	biogenic
CC/C(=N/O)c1ccc(CCCC(=O)O)s1	102441282	RRRSZPNKUUNYHY-XFXZXTDPSA-N	241.312	2.744	30	50	BFEA	
C=CCc1cc(C)ccc1OCCn1ccnc1	235911	QLDDAZUABGEIOI-UHFFFAOYSA-N	242.322	2.999	30	50	BFEA	
Cc1cc(OCC#N)cc(C)c1Br	11834421	ODEGONCELYZGPA-UHFFFAOYSA-N	240.100	2.968	30	50	BFEA	in-vitro
N#C[C@H](Cc1ccccc1)Sc1ncccn1	603961177	OAKKYZJRBDAOBF-LBPRGKRZSA-N	241.319	2.704	30	50	BFEA	
Cc1cc(-c2ccccc2C#N)cnc1N	65397729	YHOCGRXIZYGULZ-UHFFFAOYSA-N	209.252	2.511	30	50	BFEA	
CN(C)/C=C/C(=O)c1ccc(Cl)s1	168108	LURWBHIWFVQYPC-AATRIKPKSA-N	215.705	2.660	30	50	BFEA	in-vitro
C=CCn1cc(C(=O)C(C)(C)N)c2ccccc21	34222347	QMQUKUPJMAOHFQ-UHFFFAOYSA-N	242.322	2.747	30	50	BFEA	
Cc1cccc(C)c1CN[C@H](C)CC#N	166514150	NLSIVAHLBVPOSR-GFCCVEGCSA-N	202.301	2.695	30	50	BFEA	
CC(=NO)c1sc(C(C)(C)C)nc1C	252518013	XJQHTPYTEOSMGK-UHFFFAOYSA-N	212.318	2.947	30	50	BFEA	
Cc1cc(-c2ccccc2)n2nc(C)c(C#N)c2n1	208604	XGFNYRLYWZRFSQ-UHFFFAOYSA-N	248.289	2.885	30	50	BFEA	
COc1ccc(OCCCCS)cc1	4007277	UTVHZOWJTUZIIS-UHFFFAOYSA-N	212.314	2.784	30	50	BFEA	
C=CCn1c(OCc2ccccc2)n[nH]c1=S	6492917	HQHVIDWGWBKEJO-UHFFFAOYSA-N	247.323	2.706	30	50	BFEA	
CCOC(=O)C[C@H](C#N)c1c[nH]c2ccccc12	2333955	GOTNBVYYMNYPJJ-SNVBAGLBSA-N	242.278	2.728	30	50	BFEA	
Cc1cc(Br)c(C#N)cc1F	26893598	BYIUSPLUNPDMFR-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
CC(=O)Nc1cccc(-c2ncccc2C#N)c1	67691681	BTABFXBVGXOKPG-UHFFFAOYSA-N	237.262	2.579	30	50	BFEA	
CC[C@](C)(C#N)C(=O)Nc1ccccc1F	136174571	NODGVZIKALROQW-GFCCVEGCSA-N	220.247	2.704	30	50	BFEA	
N#CCc1ccc(-c2ccncc2F)cc1	725242455	GRJQWCGQXOJDRO-UHFFFAOYSA-N	212.227	2.954	30	50	BFEA	
C[C@H]1C/C(=N/O)[C@H](C)CN1CCc1ccccc1	4712813	RSOJDXFITJOAFZ-JJLJGCLUSA-N	246.354	2.790	30	50	BFEA	
COc1ccc(-c2ccccc2C#N)cn1	6715211	VLOWYFALJGHBGR-UHFFFAOYSA-N	210.236	2.629	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)NOc1ccc(F)cc1	585127361	YJBNOIVYCJMOPM-SNVBAGLBSA-N	237.274	2.838	30	50	BFEA	
[O-]/[N+](=C/c1ccccc1)Cc1ccccc1	100482756	UBINNYMQZVKNFF-RVDMUPIBSA-N	211.264	2.816	30	50	BFEA	
N#Cc1ccccc1NC(=O)c1cccs1	61901	HFHGCGQZVXLOBX-UHFFFAOYSA-N	228.276	2.872	30	50	BFEA	
C=C(CC(=O)OCCCC)C(=O)OCCCC	1680802	OGVXYCDTRMDYOG-UHFFFAOYSA-N	242.315	2.619	30	50	BFEA	biogenic
N#C[C@@H]1CC[C@H](N[C@@H]2C[C@H]2Cc2ccccc2)C1	442877897	XRVILPBEZFLBAV-LVQVYYBASA-N	240.350	2.899	30	50	BFEA	
COc1ccc(C#N)c(C(F)(F)F)c1	15442961	FNPSTMJRNVUTJV-UHFFFAOYSA-N	201.147	2.586	30	50	BFEA	
C=C(C)CN[C@@H](C)c1ccc(OC)cc1OC	128479896	DWVFLHKENQMTHZ-NSHDSACASA-N	235.327	2.931	30	50	BFEA	
N#Cc1ccc(N2CC[C@@H]3CCCC[C@H]32)cn1	228210068	BRJWPDFYJITRHT-SMDDNHRTSA-N	227.311	2.722	30	50	BFEA	
CCCCCCCCCC(=O)N[C@H](C)C(=O)O	2023337	KMJDEJIZLJQIQI-LLVKDONJSA-N	243.347	2.716	30	50	BFEA	
Cc1sc[n+](CC(=O)c2ccccc2)c1C	3916477	LYLFQLCLUXOFOL-UHFFFAOYSA-N	232.328	2.535	30	50	BFEA	investigational
N#CCCC/C=C/CO[C@H]1CCCCO1	34520579	RIWZVGMEJFXPKY-MJRJWQSSSA-N	209.289	2.780	30	50	BFEA	
N#Cc1ccc(Br)c(Cl)c1	36533194	YWTKUWXYQQZSIL-UHFFFAOYSA-N	216.465	2.974	30	50	BFEA	in-vitro
C=CC[C@@]1(C(=O)O)CCCN(Cc2ccoc2)C1	91575515	RBCJSSFAGKSNLW-CQSZACIVSA-N	249.310	2.523	30	50	BFEA	
N#Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1	216341373	ROUFPYVFBJVDLE-SOFGYWHQSA-N	239.230	2.916	30	50	BFEA	
CCOC(=O)[C@]1(CC)O[C@@]12CCCC[C@H]2C	252582979	WSNIIJKJHOFXAE-KGYLQXTDSA-N	226.316	2.677	30	50	BFEA	
Fc1ccc(/N=C2\NCCS2)cc1Cl	528279	GTWYXLBRYWONSP-UHFFFAOYSA-N	230.695	2.803	30	50	BFEA	
N/N=C(/c1ccccc1)c1cc(Cl)ccc1N	546539	WPRRWTZCKYTGRJ-LGMDPLHJSA-N	245.713	2.633	30	50	BFEA	
CC(C)=C/C=C1\O[C@H]2CC(C)=CC(=O)[C@H]2[C@@]1(C)O	14859902	GNWNPLBSEQDDQV-VRBKASCLSA-N	248.322	2.522	30	50	BFEA	
CCN[C@]1(c2ccccc2C)CCC=CC1=O	96027562	MRWNPZGMIRZVNE-HNNXBMFYSA-N	229.323	2.719	30	50	BFEA	
Cc1c(Cl)cccc1NC(=S)C#N	398678	YCQMDDCAGNRHAX-UHFFFAOYSA-N	210.689	2.911	30	50	BFEA	
C[n+]1c2ccccc2c(C#N)c2ccccc21	4829935	HJFDHFMIUUSMMA-UHFFFAOYSA-N	219.267	2.689	30	50	BFEA	
C=C(C)CNCc1ccc(C)c([N+](=O)[O-])c1	153393868	VKKCETOQKFHWDM-UHFFFAOYSA-N	220.272	2.569	30	50	BFEA	
C(=NOCCc1ccccc1)c1cccnc1	254005598	JCVYFJONAJNXEU-UHFFFAOYSA-N	226.279	2.675	30	50	BFEA	
N#Cc1ccc(C(=O)Nc2ccccc2)cc1	3480996	PMOXWVIRAXTQPK-UHFFFAOYSA-N	222.247	2.811	30	50	BFEA	in-vitro
C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1C#N	6248254	RUIZUCCFRARZAT-SNVBAGLBSA-N	245.282	2.845	30	50	BFEA	
[C-]#[N+]c1ccc(B2OC(C)(C)C(C)(C)O2)cc1	196874897	LSAGFQFDWYWSHS-UHFFFAOYSA-N	229.088	2.537	30	50	BFEA	in-vitro
N#Cc1csc(CNc2ccncc2F)c1	225406604	FCHKZEZJYFNQCW-UHFFFAOYSA-N	233.271	2.766	30	50	BFEA	
C(=NOCc1ccccc1)c1ccncc1	254015257	DUCOZYAQYJSURU-UHFFFAOYSA-N	212.252	2.632	30	50	BFEA	
C=CCNCCCOc1cccc(OCC)c1	3000682	ULWMVXZAOYHRQT-UHFFFAOYSA-N	235.327	2.630	30	50	BFEA	
O=C1C(=O)c2ccccc2C(Cl)=C1Cl	3882869	JDQAAXMSEQPHAM-UHFFFAOYSA-N	227.046	2.598	30	50	BFEA	
C[Si](C)(C)C#Cc1ccc(C=O)cc1	169744476	UZQDUXAJFTWMDT-UHFFFAOYSA-N	202.329	2.728	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)N1C[C@H]2O[C@H]2c2ccccc21	201769445	PPKCCKKBUDKBFQ-NEPJUHHUSA-N	247.294	2.882	30	50	BFEA	
N#Cc1ccc(NCCC[C@H]2CCCCO2)nc1	273903912	HZBYXLLYMIVWNU-CYBMUJFWSA-N	245.326	2.714	30	50	BFEA	
CCCCCCCC(=O)Nc1c(O)n[nH]c1C	408518184	WKEIIFCZJKPYKD-UHFFFAOYSA-N	239.319	2.723	30	50	BFEA	
CN1CCCC1=CC=Nc1ccccc1	1857666367	AAYDNUMRZKVGCA-UHFFFAOYSA-N	200.285	2.998	30	50	BFEA	
N#Cc1ccc(/C=C/C(=O)c2ccncc2)cc1	19908274	DFBDJVRRMZUGIM-AATRIKPKSA-N	234.258	2.849	30	50	BFEA	
CC(C)(C)OC(=O)N1CCC(CS)CC1	71485010	VEPAXJUGIFPJNK-UHFFFAOYSA-N	231.361	2.563	30	50	BFEA	in-vitro
C=CCn1c(=N)sc2cc(C)ccc21	404888	DICUTMLEOKPECA-UHFFFAOYSA-N	204.298	2.677	30	50	BFEA	
CCCCCCCCC[C@H](O)CC(=O)O	2504625	MUCMKTPAZLSKTL-NSHDSACASA-N	216.321	2.963	30	50	BFEA	endogenous,in-man
C/C(=N/Nc1nccc(C)n1)c1ccccc1	4990079	YHNZHGFZPFRGEO-WJDWOHSUSA-N	226.283	2.621	30	50	BFEA	
C#C[C@](C)(CC)OC(=O)c1ccc([N+](=O)[O-])cc1	32190292	BMYYHJWJYBIWKL-CYBMUJFWSA-N	247.250	2.554	30	50	BFEA	
C=CCC(=O)N(CC)CCOc1cccc(C)c1	55060603	VWVLRSPADYNGEV-UHFFFAOYSA-N	247.338	2.798	30	50	BFEA	
CC(C)(C)OC(=O)NC1CCC(C#N)CC1	38518584	QHZJRHRMFIDRFL-UHFFFAOYSA-N	224.304	2.593	30	50	BFEA	
N#C[C@H](c1ccc(Cl)nn1)c1ccccc1F	167797	VIUNVHHXBJJUMQ-VIFPVBQESA-N	247.660	2.925	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)O/N=C(\C#N)c1ccccc1	1574048	QQWYQAQQADNEIC-RVDMUPIBSA-N	246.266	2.866	30	50	BFEA	
N#C[C@H]1CCCN(C(=O)OCc2ccccc2)C1	2527492	GTUBNUQWSDFBEE-CYBMUJFWSA-N	244.294	2.559	30	50	BFEA	in-vitro
C=CCc1ccnc(Cl)c1C(OC)OC	38534054	ACMZFZNXZXPSLQ-UHFFFAOYSA-N	227.691	2.755	30	50	BFEA	
O=C1C=C(Nc2cccnc2Cl)CCC1	40488495	CEMPSRLOXQCZMZ-UHFFFAOYSA-N	222.675	2.784	30	50	BFEA	
N#Cc1cc(F)cc(Br)c1F	95930281	NWWDPWGIGDDQRZ-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	
CCNc1oc(-c2ccccc2F)nc1C#N	334163252	XXWGCKVTBIKYNV-UHFFFAOYSA-N	231.230	2.784	30	50	BFEA	
CCN1C=CC(=C/C=C2\C=CC=CC2=O)C=C1	409415916	VAYUJBYZNHHPGG-RIYZIHGNSA-N	225.291	2.897	30	50	BFEA	
Cc1ccc(-c2cc(C)c(C#N)c(=O)[nH]2)cc1	2521034	JKHNDFXCJABXEV-UHFFFAOYSA-N	224.263	2.530	30	50	BFEA	
N#Cc1cnc(Cl)cc1C(F)(F)F	77027105	MXQLUANSPBCUGU-UHFFFAOYSA-N	206.554	2.625	30	50	BFEA	
O=C(C#Cc1ccccc1)Nc1ccccc1F	6698673	FVWUAEMADGZQHX-UHFFFAOYSA-N	239.249	2.816	30	50	BFEA	
N#Cc1c(-c2ccc(F)cc2)nc(=S)[nH]c1O	18102324	YRUUGEPPEPQISW-UHFFFAOYSA-N	247.254	2.523	30	50	BFEA	
COc1ncccc1-c1cccc(C#N)c1	67880928	STIBCOLDOIQTPT-UHFFFAOYSA-N	210.236	2.629	30	50	BFEA	
O=C(O)CCC/N=C1/CCCc2ccccc2N1	1901154	CWCMOJCXPIFZMG-UHFFFAOYSA-N	246.310	2.698	30	50	BFEA	biogenic
CCCCCCCCCN1CCNCC1	22026804	JXSIBFCQEWUEDI-UHFFFAOYSA-N	212.381	2.642	30	50	BFEA	in-vitro
C=CCC(=O)N1CCO[C@@H](CCCC(C)C)C1	65452110	ZEHLEONAIGZAAG-ZDUSSCGKSA-N	239.359	2.616	30	50	BFEA	
O/N=C1/CCc2cc(Br)ccc21	100562695	FKVWLYRRDKFLBM-LUAWRHEFSA-N	226.073	2.574	30	50	BFEA	
C=CCn1c(=N)sc2cccc(F)c21	217429896	WEDJTFPUMQMZBQ-UHFFFAOYSA-N	208.261	2.507	30	50	BFEA	
CC(C)C[C@@](C)(C#N)/N=C(/O)c1cccnc1	330483449	UVVAKBBNOITXSX-ZDUSSCGKSA-N	231.299	2.715	30	50	BFEA	
N#CC1(S(=O)(=O)c2ccccc2)CCCCC1	283853	BUEZXYYURQEFQY-UHFFFAOYSA-N	249.335	2.687	30	50	BFEA	
N#Cc1c(F)cc(Br)cc1F	2574361	TZHQWUAOIWRFSW-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
CCCCCOS(=O)OCCCCC	5820717	QHKKGWHSXSIVAJ-UHFFFAOYSA-N	222.350	2.979	30	50	BFEA	in-vitro
O=C1CC[C@H]2C1=CCC21SCCCS1	45072255	VLVPXPXJNFKTST-VIFPVBQESA-N	226.366	2.862	30	50	BFEA	
C=C/C(O)=N/CCc1ccc(-n2cccn2)cc1	328598190	KXCJFKPPELQCQR-UHFFFAOYSA-N	241.294	2.557	30	50	BFEA	
C=CCCCOC(=O)C[C@@H](CN)CC(C)C	408525553	ABYXFRYSXGTEIQ-LBPRGKRZSA-N	227.348	2.507	30	50	BFEA	
C[C@@](O)(C#Cc1ccccc1)c1ccccc1	1081523	GKABQYUTWQPLER-MRXNPFEDSA-N	222.287	2.946	30	50	BFEA	
N#CCc1ccc(C(F)(F)F)c(F)c1	2560199	SQAMKWHPORKALE-UHFFFAOYSA-N	203.138	2.911	30	50	BFEA	
CC1(C)CS/C(=N\c2ccccc2)N1	2597971	HJXLTASCCNSSRC-UHFFFAOYSA-N	206.314	2.789	30	50	BFEA	
N#Cc1ccc(-c2ccc(-n3cccn3)cc2)cn1	65490811	HPMYYYSAPXWQEC-UHFFFAOYSA-N	246.273	2.806	30	50	BFEA	
C/C(O)=C\C(C)=N\[C@@H](Cc1ccccc1)C(=O)O	100509218	XEFDMJHLBUTSCZ-BMTRYUDNSA-N	247.294	2.605	30	50	BFEA	
CC1(C)OB(c2ccc3ccoc3c2)OC1(C)C	170011688	MHDVSQAMAAZZEG-UHFFFAOYSA-N	244.099	2.732	30	50	BFEA	
N#Cc1cn[nH]c1NCc1ccc(Cl)s1	253393503	DISXFKXMRGUCCH-UHFFFAOYSA-N	238.703	2.608	30	50	BFEA	
Cc1cc(C/C(O)=N/[C@@H](C)c2ncc(C)o2)no1	329470131	YPZCQMAKELTQQC-VIFPVBQESA-N	249.270	2.540	30	50	BFEA	
O=C1c2ccccc2C(=O)N1N=C1CCCCC1	290926	ZZMDJUQMWJRFIR-UHFFFAOYSA-N	242.278	2.603	30	50	BFEA	
C=C(B1O[C@@H](C)CC(C)(C)O1)C(F)(F)F	169794632	GGSSZVWESZQFOZ-LURJTMIESA-N	222.015	2.736	30	50	BFEA	in-vitro
CC1(C)OB(c2ccccc2C2CC2)OC1(C)C	206048299	UBDGFSVRSANTJW-UHFFFAOYSA-N	244.143	2.863	30	50	BFEA	
C=C(CN[C@@H](c1ccccc1)C(C)C)C(=O)O	2325852317	ZRKRHYVEOISVOU-CYBMUJFWSA-N	233.311	2.614	30	50	BFEA	
N#Cc1cc(C#N)cc(/N=C/c2ccco2)c1	5716070	WCXXVALIRSYZLT-CXUHLZMHSA-N	221.219	2.774	30	50	BFEA	
C(/C=C/c1ccccc1)=N/[n+]1ccccc1	19800235	XWLZBJJCQLXFBR-XGQUATGFSA-N	209.272	2.521	30	50	BFEA	
CC(C)N(CC#CC(C)(C)O)Cc1ccccc1	55502029	HATURAWECLAASR-UHFFFAOYSA-N	245.366	2.671	30	50	BFEA	
C#Cc1cnccc1/C=C/c1ccncc1	95100060	JHZVYKSUIZTKPM-ONEGZZNKSA-N	206.248	2.628	30	50	BFEA	
Cc1cnc(CSCCCC#N)s1	190996729	PLHIRXLDDYCIHQ-UHFFFAOYSA-N	212.343	2.989	30	50	BFEA	
Cc1n[nH]cc1-c1nc2c(cc1C#N)CCCC2	426387180	YOJCBDPMQQUHKH-UHFFFAOYSA-N	238.294	2.531	30	50	BFEA	
Cc1cc(F)ccc1-c1cnn(CC#N)c1	2325844119	ZIEOMRQPZWEELL-UHFFFAOYSA-N	215.231	2.521	30	50	BFEA	
C=CCNC(=O)Nc1cccc(Cl)c1OC	2171993	WDAHJNAKUDLNFQ-UHFFFAOYSA-N	240.690	2.656	30	50	BFEA	
CC(=O)CSc1nc2c(cc1C#N)CCCC2	4954127	GAGZJXNTFGZCDT-UHFFFAOYSA-N	246.335	2.513	30	50	BFEA	
N#Cc1ccc(-c2cccc(F)c2F)cn1	67696073	FMLKJKIRZYTIBN-UHFFFAOYSA-N	216.190	2.898	30	50	BFEA	
CCOc1cccc(OCC(F)(F)F)c1C#N	162072	YZBRNALJPGILPM-UHFFFAOYSA-N	245.200	2.898	30	50	BFEA	
Cc1cc(C(F)(F)F)c(C#N)c(=S)[nH]1	183038	SNXNHTJMLREHDW-UHFFFAOYSA-N	218.203	2.943	30	50	BFEA	in-vitro
CO[C@@H]1C=CC[C@@H](c2ccccc2)C1(C#N)C#N	333292	SVPZVBGULNAFRK-UONOGXRCSA-N	238.290	2.779	30	50	BFEA	
COc1cccc(NC(=O)ON=C(C)C)c1	4583091	WSEKQLWMHGTWKK-UHFFFAOYSA-N	222.244	2.640	30	50	BFEA	
Cc1ccsc1/C=C/C(=O)c1cnn(C)c1	6790053	CPTBBOQFRUUSPF-ONEGZZNKSA-N	232.308	2.686	30	50	BFEA	
CC[C@H]1CCc2nc(S)c(C#N)cc2C1	6830116	OQXGYEAPEIPINX-QMMMGPOBSA-N	218.325	2.757	30	50	BFEA	
CC1=C(/C(O)=N/[C@@H](C)c2cn[nH]c2)CCC1	328866306	NTRABZBBYYYSNZ-VIFPVBQESA-N	219.288	2.928	30	50	BFEA	
C=CC[C@H]1N(C(=O)C=C)CCCC1(C)C	952882352	VFZDGCAEMRQGDZ-LLVKDONJSA-N	207.317	2.766	30	50	BFEA	
C=CCNC(=O)c1ccc(OCC)c(Cl)c1	59400329	XNPWNLCIRWLLSF-UHFFFAOYSA-N	239.702	2.655	30	50	BFEA	
CC[C@H](CC#N)OC(=O)c1cccn1C(C)C	170605099	JIPPLVVHVPKLOK-LLVKDONJSA-N	234.299	2.918	30	50	BFEA	
CO[C@@]1(C)CCCN(c2ccc(C#N)cc2)C1	230264597	UNFYVADSNKTMBQ-AWEZNQCLSA-N	230.311	2.564	30	50	BFEA	
C=C1C(=O)O[C@@H]2[C@@H]1CCC(C)=CCC[C@@]1(C)O[C@H]21	253986906	KTEXNACQROZXEV-RGCMKSIDSA-N	248.322	2.762	30	50	BFEA	biogenic,in-vitro
C=C(COc1cccc(C2CC2)c1F)C(=O)O	2325851881	LTDYLOYXYLLZOC-UHFFFAOYSA-N	236.242	2.723	30	50	BFEA	
C=CCN(CC=C)C(=O)NC1CCCCC1	395239	XPIAAFPDZJIJKC-UHFFFAOYSA-N	222.332	2.703	30	50	BFEA	
C=C(C)CN[C@H](C)c1cccc([N+](=O)[O-])c1	120948742	LPHWBDUCQIXXJL-SNVBAGLBSA-N	220.272	2.822	30	50	BFEA	
N#Cc1ccc(C(F)(F)C(F)(F)F)cn1	150240809	OOJPQAVPOXNSEK-UHFFFAOYSA-N	222.116	2.607	30	50	BFEA	
Cc1ccc(-c2cccnc2)cc1OC[C@@H]1CO1	1857780657	BKYRGWBNHRYDIZ-AWEZNQCLSA-N	241.290	2.835	30	50	BFEA	
C=CCc1cc(Cl)ccc1OCCNC	2845282	DYAKRWMATVZAFX-UHFFFAOYSA-N	225.719	2.667	30	50	BFEA	
C=CCOc1ccc(C(=O)N[C@@H](C)CC)cc1	8048879	HTGRZZLYLOXSEP-NSHDSACASA-N	233.311	2.780	30	50	BFEA	
C=C[C@@]12CC[C@@H](C1)C(C)(C)[C@H](O)[C@]21CCCO1	101080923	REYAQYKDCFRZMF-DDHJSBNISA-N	236.355	2.909	30	50	BFEA	
C#CCCSc1nnc(C2CC2)s1	170668211	BBGWZHDXBKARFV-UHFFFAOYSA-N	210.327	2.531	30	50	BFEA	
C#Cc1c(Cl)c(OC)cc(OC)c1Cl	217664191	ZGXDEQGKNWQYAD-UHFFFAOYSA-N	231.078	2.992	30	50	BFEA	
Cc1ncn(Cc2cccc(C#N)c2F)c1C	223540861	OMJKGKRPRVMGJQ-UHFFFAOYSA-N	229.258	2.559	30	50	BFEA	
Cc1cccc(C(=O)c2cc(C#N)ccc2N)c1	1857796609	ZXUPZAQTOBZMRS-UHFFFAOYSA-N	236.274	2.680	30	50	BFEA	
N#Cc1ccc(/C=C\C(=O)c2ccncc2)cc1	4566608	DFBDJVRRMZUGIM-WAYWQWQTSA-N	234.258	2.849	30	50	BFEA	
CC(=O)c1ccc(N/N=C2\CCCCC2=O)cc1	4785462	QZCKQRHCBBFSFK-DTQAZKPQSA-N	244.294	2.800	30	50	BFEA	
C=C(C)[C@H]1CC=C(CN2CCOCC2)CC1	23281333	LKTHUGNSRDBLRF-AWEZNQCLSA-N	221.344	2.621	30	50	BFEA	
CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C#N	35287645	YFUICMOSRQSXTO-NSHDSACASA-N	244.294	2.876	30	50	BFEA	
COc1ccc2c(C#N)c(Cl)cnc2c1	1775984363	QTGFHDKKFUAMPM-UHFFFAOYSA-N	218.643	2.768	30	50	BFEA	
O=C1/C(=C/c2ccco2)Oc2cc(O)ccc21	490085	VWSAKNMQNUDSHW-GHXNOFRVSA-N	228.203	2.601	30	50	BFEA	biogenic
CCO/C=N/c1cccc([N+](=O)[O-])c1C	100173008	NONIOTXCYPEXMP-YRNVUSSQSA-N	208.217	2.600	30	50	BFEA	in-vitro
CC#CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1	277643786	KFEHQYXVYHSAAD-CYBMUJFWSA-N	241.334	2.837	30	50	BFEA	
N#Cc1cccc(NC(=O)N[C@@H]2CC[C@@H](F)C2)c1	336353177	RQSDAQWAOKDNKX-ZYHUDNBSSA-N	247.273	2.570	30	50	BFEA	
N#Cc1cccc(CN2C[C@H]3CC=CC[C@H]3C2)c1	71749065	NAHGJQSAOCGHGI-IYBDPMFKSA-N	238.334	2.956	30	50	BFEA	
CN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1	100113402	DBOHWMPKJCJANT-UHFFFAOYSA-N	211.264	2.507	30	50	BFEA	in-vitro
CC#CCN[C@H](C)c1cccc(-n2ccnc2)c1	189892523	LQBRQNITEZRPMB-CYBMUJFWSA-N	239.322	2.546	30	50	BFEA	
CC1(CC=O)CCN(C(=O)OC(C)(C)C)CC1	200087834	XCEHBZUIZUBINW-UHFFFAOYSA-N	241.331	2.613	30	50	BFEA	
CC1(C)OB(/C=C/c2ccc(N)cc2)OC1(C)C	202769579	GNAVWBTYNUHSDS-MDZDMXLPSA-N	245.131	2.913	30	50	BFEA	
Cc1nnc(SCc2ccccc2C#N)o1	4943087	ANOOHGPEBRQTKZ-UHFFFAOYSA-N	231.280	2.542	30	50	BFEA	
CN(Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C	82609565	GHJRYEQNGTUIFJ-UHFFFAOYSA-N	246.310	2.925	30	50	BFEA	
CC(C)(C)OC(=O)ON=C(C#N)c1ccccc1	242648301	QQWYQAQQADNEIC-UHFFFAOYSA-N	246.266	2.866	30	50	BFEA	
CC(C)(C#N)c1ncc(CN2CCCC2)s1	2325815836	UESJJMYZOAZYCH-UHFFFAOYSA-N	235.356	2.540	30	50	BFEA	
CO[C@@H]1C=CC[C@H](c2ccccc2)C1(C#N)C#N	333294	SVPZVBGULNAFRK-ZIAGYGMSSA-N	238.290	2.779	30	50	BFEA	
N#Cc1ccccc1COc1ccccc1CO	469976	OLERWKLDIACLQG-UHFFFAOYSA-N	239.274	2.630	30	50	BFEA	
FC(F)(F)O[C@@](F)(C[C@@H]1CO1)C(F)(F)F	4979057	YLTWQTPPDBTMJI-DMTCNVIQSA-N	242.090	2.540	30	50	BFEA	
CC1(C)CC(=O)C=C(Nc2ccccc2N)C1	17837781	XNPJRPDGAPQDSN-UHFFFAOYSA-N	230.311	2.954	30	50	BFEA	
c1ccc2c(c1)c1c(n2C[C@H]2CO2)CCCC1	21085416	HPEFFMHRKFBRLQ-NSHDSACASA-N	227.307	2.919	30	50	BFEA	
N#Cc1ccc(Br)c2cc[nH]c12	44184924	JRCFPOKROROTNV-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	in-vitro
CC(C)[C@H]1CN(c2cc(C#N)ccn2)CCS1	283961765	YTGTWOGJUFPYON-GFCCVEGCSA-N	247.367	2.531	30	50	BFEA	
C=C1N(C)C(=O)O[C@@]1(C)Cc1ccccc1	1423659	BWCNMNHSRZZWPV-ZDUSSCGKSA-N	217.268	2.584	30	50	BFEA	
C=CCOc1ccc(Br)cc1C=O	2767937	XYVUMFXVQDVVHV-UHFFFAOYSA-N	241.084	2.826	30	50	BFEA	
N#Cc1cnc2ccc([N+](=O)[O-])cc2c1Cl	16697582	QRUCHOLKZVCUAH-UHFFFAOYSA-N	233.614	2.668	30	50	BFEA	
CC(=O)c1ccccc1-c1cc(C#N)ccn1	32541236	RZUNOKFGNPSCTN-UHFFFAOYSA-N	222.247	2.823	30	50	BFEA	
CCCCCCCC(=O)N1Cc2cn[nH]c2C1	311685022	NCFNRJNXZUTKCR-UHFFFAOYSA-N	235.331	2.612	30	50	BFEA	
CCCCCCCC(=O)N[C@@H]1CCCCC1=O	2519876	XFGXBEBYWDZIJM-GFCCVEGCSA-N	239.359	2.975	30	50	BFEA	
CCCCOc1ccc([N+](=O)[O-])cc1C#N	4181846	BUMXRKVUUVNARY-UHFFFAOYSA-N	220.228	2.645	30	50	BFEA	
Cc1cc(C)c(C#N)c(-c2ccc(CO)cc2)n1	32598334	FYGFOMXKMIKQGD-UHFFFAOYSA-N	238.290	2.729	30	50	BFEA	
CN(C(=S)SCC#N)c1ccccc1	34632982	FYACMHCOSCVNHO-UHFFFAOYSA-N	222.338	2.664	30	50	BFEA	in-vitro
Cc1cccc(-n2nc(C)c(/C=N/O)c2C)c1	100148797	DSJIQKWVQJXTOF-RIYZIHGNSA-N	229.283	2.606	30	50	BFEA	
N#Cc1ccc(Oc2ccccc2N)cc1	328445	SBJJVBACWYPFTP-UHFFFAOYSA-N	210.236	2.933	30	50	BFEA	in-vitro
CN(C)c1ccnc(Oc2ccccc2)c1C#N	20218583	LBCOHQRBXSMFHT-UHFFFAOYSA-N	239.278	2.812	30	50	BFEA	
CC(C)(O)C#Cc1cccc(Cl)c1F	38537913	KUQCWTGOKZLVCH-UHFFFAOYSA-N	212.651	2.602	30	50	BFEA	in-vitro
CC[C@@H](C)NC(C)=C1C(=O)c2ccccc2C1=O	100559159	XLBSQWPXRZXYRF-SECBINFHSA-N	243.306	2.728	30	50	BFEA	
O[C@@H]1Cc2ccccc2C#Cc2ccccc21	113446243	VEKJQXKBHZVGBK-MRXNPFEDSA-N	220.271	2.676	30	50	BFEA	in-vitro
CC1(C)OB(/C=C2/CCSC2)OC1(C)C	307130496	RIUHLEQILODDFB-CLFYSBASSA-N	226.150	2.681	30	50	BFEA	
N#Cc1sccc1-c1noc(C2CCC2)n1	725273433	BWMWRYZEOHEWMK-UHFFFAOYSA-N	231.280	2.937	30	50	BFEA	
C=C(C)C(=O)N1CCCc2ccccc21	336968	ALVNQTDMQBKHJO-UHFFFAOYSA-N	201.269	2.542	30	50	BFEA	
CC#Cc1cc(C)nc(Nc2ccccc2)n1	900546	CIFWZNRJIBNXRE-UHFFFAOYSA-N	223.279	2.900	30	50	BFEA	biogenic,in-vitro
N/C(=C/C(=O)c1ccc(Cl)cc1)C(F)(F)F	5613857	BMXJNQMRQNWOOC-WEVVVXLNSA-N	249.619	2.928	30	50	BFEA	
C[Si](C)(C)C#CC[C@@H](O)c1ccccc1	169828400	SFHXIZWDLPPQRU-CYBMUJFWSA-N	218.372	2.991	30	50	BFEA	
CCOC(=O)C12CCCC(C#N)(CC1)CC2	306145401	DKJALPUNHJVORP-UHFFFAOYSA-N	221.300	2.804	30	50	BFEA	
Cc1nc(-c2ccc(C(C)(C)C#N)cc2)n(C)n1	426632935	VEBGGFRONKAZIC-UHFFFAOYSA-N	240.310	2.592	30	50	BFEA	
COc1ccc(-c2ncccc2C#N)cc1F	1239576458	IVFIKNKYUZQTKI-UHFFFAOYSA-N	228.226	2.768	30	50	BFEA	
N#Cc1sc2nc3c(cc2c1N)CCCC3	107777	ZDJDVRCSNUJIQQ-UHFFFAOYSA-N	229.308	2.629	30	50	BFEA	
C1#Cc2ccccc2C#Cc2ccccc21	104784222	JFYLRMKUYCIWMX-UHFFFAOYSA-N	200.240	2.800	30	50	BFEA	in-vitro
Cc1ccc(/C=C2\Oc3cc(O)ccc3C2=O)o1	539634	MKJSIKADDKCCCR-QPEQYQDCSA-N	242.230	2.910	30	50	BFEA	
N#Cc1cccc(-c2ccc(C(=O)O)cc2)c1	2528939	ITRBFYPHDCHMCY-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	in-vitro
Cc1ccc(-c2nn(CCC#N)cc2C#N)cc1	3273732	PVPSAYTXRLHYEG-UHFFFAOYSA-N	236.278	2.644	30	50	BFEA	
N#CCCSCc1nc2ccccc2[nH]1	11730758	VEOMHADJBHJIRC-UHFFFAOYSA-N	217.297	2.710	30	50	BFEA	
CCNc1cccc(Br)c1C#N	95495717	DZKQYKGQNHRNQF-UHFFFAOYSA-N	225.089	2.753	30	50	BFEA	
C#C[C@@]1(N(C)C)C(C)(C)[C@H]2CC[C@@]1(C)C2	216002665	MHBYLNVHCBMXIV-FPMFFAJLSA-N	205.345	2.766	30	50	BFEA	
CCn1nccc1-c1nc(C)c(C)c(C)c1C#N	426386343	NTMZTZUPSIHMCP-UHFFFAOYSA-N	240.310	2.762	30	50	BFEA	
CN(C)/C=N/c1nc2ccccc2s1	4543000	DCWDATDHZDWTPZ-YRNVUSSQSA-N	205.286	2.518	30	50	BFEA	
COc1cc([N+](=O)[O-])ccc1-c1ccc(C#N)o1	6700726	OIJFAXABOWIWFH-UHFFFAOYSA-N	244.206	2.735	30	50	BFEA	
Cc1cc(Br)c(F)cc1C#N	26893605	ULVCSNKNBWWEMI-UHFFFAOYSA-N	214.037	2.768	30	50	BFEA	in-vitro
C=CC[C@](O)(c1ccccc1)[C@](C)(O)CC=C	43198572	IUCMAUZVAJBOCY-CABCVRRESA-N	232.323	2.777	30	50	BFEA	
Oc1ccccc1/C=N/c1ccccc1O	95551763	CHBGIQHEGBKNGA-NTEUORMPSA-N	213.236	2.848	30	50	BFEA	in-vitro
C=C(C)CN(CC)C(=O)Nc1ccc(F)cn1	122927671	RWEVDRAIVKDWKD-UHFFFAOYSA-N	237.278	2.651	30	50	BFEA	
C[Si](C)(C)C#Cc1ccc(C(=O)O)cc1	169807649	GUFYYXWHDBOLBG-UHFFFAOYSA-N	218.328	2.614	30	50	BFEA	in-vitro
N#CC1(CSc2ncccc2F)CC1	334659500	BXTMDIIRYVPUHX-UHFFFAOYSA-N	208.261	2.617	30	50	BFEA	
C=C/C(C)=C/[C@@]1(C)SC(=O)C(C)=C1O	4099011	SYQNUQSGEWNWKV-XUIVZRPNSA-N	210.298	2.983	30	50	BFEA	world
C(=N/CCCC/N=C/c1ccc[nH]1)\c1ccc[nH]1	100336827	HQCVPLFPWAIRQF-JOBJLJCHSA-N	242.326	2.661	30	50	BFEA	
CCOC(=O)[C@](C#N)(CC)C1=CCCCC1	4577419	FZEJSHBZNNNLCB-ZDUSSCGKSA-N	221.300	2.970	30	50	BFEA	in-vitro
O=C(C#Cc1ccccc1)Nc1cccc(F)c1	6742389	SULCUNWTESHQHZ-UHFFFAOYSA-N	239.249	2.816	30	50	BFEA	
C=CCNC(=O)c1ccccc1SCC	7684328	FXEIJUMTQOPETH-UHFFFAOYSA-N	221.325	2.714	30	50	BFEA	
C#CCO[C@H](CCCCc1ccccc1)C(=O)O	263618237	RVZAYUNVFMTQKG-CQSZACIVSA-N	246.306	2.502	30	50	BFEA	
C=CC[C@]1(C#N)CCN(C(=O)OC(C)(C)C)C1	263624064	NCTBMZNEWVJUOP-CYBMUJFWSA-N	236.315	2.713	30	50	BFEA	
CC(C)=NOC(=O)Nc1ccc([N+](=O)[O-])cc1	4947688	ADMFPBIYWIVWEW-UHFFFAOYSA-N	237.215	2.539	30	50	BFEA	
C/C(=N\O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C	4957379	BSOGYCPJWMOCCD-AFARREPOSA-N	241.331	2.841	30	50	BFEA	
C=CCNC(=O)c1ccc(CCC)cc1	16602332	KISXTDHBSVEINW-UHFFFAOYSA-N	203.285	2.555	30	50	BFEA	
COC(=O)c1ccc(C#C[Si](C)(C)C)cc1	169989402	OMKQKBOYVRHLRP-UHFFFAOYSA-N	232.355	2.702	30	50	BFEA	
C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	250523946	NWAHZAIDMVNENC-NJMOYASZSA-N	220.312	2.930	30	50	BFEA	
CC(C)(C)c1ccc(OC[C@@H]2CO2)cc1	119553	HHRACYLRBOUBKM-GFCCVEGCSA-N	206.285	2.762	30	50	BFEA	in-vitro
O[C@@H](C#Cc1ccccc1)c1cccs1	439685	JOYLAXKLSFKRDD-LBPRGKRZSA-N	214.289	2.833	30	50	BFEA	
C/C(=N\Nc1ccccc1)c1ccc(O)cc1O	15045725	PRASTCBVKOOZPU-XNTDXEJSSA-N	242.278	2.934	30	50	BFEA	
CC(C)(CNc1cc[nH]c(=N)c1C#N)C1CCC1	2325775501	ZLHVUGUGVNWZKT-UHFFFAOYSA-N	244.342	2.604	30	50	BFEA	
Cc1nc(Cl)c(C#N)c2c1COC(C)(C)C2	214246	QWVWHHASPGMJMB-UHFFFAOYSA-N	236.702	2.766	30	50	BFEA	
Cc1cc(Br)cc(C)c1OCC#N	11834392	QTDXMYXASSOVFY-UHFFFAOYSA-N	240.100	2.968	30	50	BFEA	in-vitro
C=C1CCCN(C(=O)OCc2ccccc2)C1	35803754	DFLLABDAFZKLMX-UHFFFAOYSA-N	231.295	2.975	30	50	BFEA	in-vitro
N#CCc1ccc(NC[C@H]2CCSC2)cc1	224352421	ADQWKJTVTQBIQT-GFCCVEGCSA-N	232.352	2.918	30	50	BFEA	
Cc1nc2ccccc2cc1OC[C@@H]1O[C@H]1C	1875325040	GQSAZKVSZNRXCV-HZMBPMFUSA-N	229.279	2.709	30	50	BFEA	
N#CN=C(Oc1ccccc1)Oc1ccccc1	56637	SLIKWVTWIGHFJE-UHFFFAOYSA-N	238.246	2.981	30	50	BFEA	
C=CCCc1ccccc1NC(=O)[C@H]1CCCO1	252510932	ZRQLZUJEHPRNJR-CQSZACIVSA-N	245.322	2.923	30	50	BFEA	
CCCCCCCCCC(=O)NCCC(=O)O	3161236	UXYLDVKJEPKPBF-UHFFFAOYSA-N	243.347	2.718	30	50	BFEA	
Cc1nn(C)c(C)c1/C=C/C(=O)c1ccccc1	4651997	UUAUUGKHQXBEFP-MDZDMXLPSA-N	240.306	2.933	30	50	BFEA	
Cc1ccc(Br)cc1CC#N	83593235	CNMZUCWQQWFUML-UHFFFAOYSA-N	210.074	2.824	30	50	BFEA	in-vitro
CCOc1cc(Br)ccc1C#N	95725449	BYYLYSYPEWKIPJ-UHFFFAOYSA-N	226.073	2.719	30	50	BFEA	in-vitro
CCO[C@H]1CC2(CCCCC2)C1(C#N)C#N	333286	DPDIZGBWXYCZCB-NSHDSACASA-N	218.300	2.779	30	50	BFEA	
O=C1C=C(Nc2ccccc2F)CCC1	5278092	GWAUOKDKFYGIGM-UHFFFAOYSA-N	205.232	2.875	30	50	BFEA	
C=CCN1C(=O)c2cccc3cccc1c23	5553194	NMHQHMZVKWYGNQ-UHFFFAOYSA-N	209.248	2.986	30	50	BFEA	
C=C(CC)COC(=O)C[C@@H](CN)CC(C)C	408525576	DMVHOQACNMMVHU-LBPRGKRZSA-N	227.348	2.507	30	50	BFEA	
N#Cc1ccc(CN2CCCCC2)cc1	5177709	JOGVBKNLRQCYKS-UHFFFAOYSA-N	200.285	2.544	30	50	BFEA	in-vitro
C=CCNc1cc(C(F)(F)F)nc(SC)n1	5527683	UKOMYRGSTDLZJB-UHFFFAOYSA-N	249.261	2.815	30	50	BFEA	
COc1ccc([N+](=O)[O-])cc1-c1ccc(C#N)o1	6700860	MZHGRJLUYSNSNI-UHFFFAOYSA-N	244.206	2.735	30	50	BFEA	
N#Cc1ccc(F)c(OC(F)(F)F)c1	12359263	QTSJFYSQJUUNAY-UHFFFAOYSA-N	205.110	2.596	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)Nc1ccc(C#N)cc1	19512838	CPIRTCVNDVQQLE-UHFFFAOYSA-N	218.256	2.905	30	50	BFEA	in-vitro
C[Si](C)(C)C#Cc1ccc([N+](=O)[O-])cc1	169795838	YVPIXZAXKQWEOB-UHFFFAOYSA-N	219.316	2.824	30	50	BFEA	
O=C1C2=C(CC=CC2)C(=O)c2ccccc21	398364	ZVALGBPJYGUWIS-UHFFFAOYSA-N	210.232	2.712	30	50	BFEA	biogenic
CCSc1ncc2c(c1C#N)CCC2	6702590	MFBMEWCABSAEFA-UHFFFAOYSA-N	204.298	2.554	30	50	BFEA	
N#Cc1ccc(NCCCC[C@@H]2CCCO2)nc1	826785015	BIQYKPSZLFTDPM-CYBMUJFWSA-N	245.326	2.714	30	50	BFEA	
O/N=C1/[C@H]2CCC[C@H]1[C@H](N1CCCCC1)CC2	100291517	UEMQBUNIAKDORY-JPMZIEJESA-N	236.359	2.881	30	50	BFEA	
C=Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1	169807633	ONBKTEDYJFZZCU-UHFFFAOYSA-N	230.116	2.629	30	50	BFEA	
Cc1cc(C)c(C)c(C(=O)/C=C/C(=O)O)c1C	129066	ZTKCTDLIYGPZSY-AATRIKPKSA-N	232.279	2.744	30	50	BFEA	in-vitro
N#C[C@@H](c1ccccc1)c1ccc(N)cc1	394720	ICAAICSDOCMEKS-AWEZNQCLSA-N	208.264	2.924	30	50	BFEA	
C[C@]1(c2ccc(F)c(Cl)c2)O[C@@H]1C#N	306383825	AMTHMHLAVYJZRH-NXEZZACHSA-N	211.623	2.617	30	50	BFEA	
C#Cc1cccc(NC(=O)/C=C/C=C/C)c1	4695646	YOHGOTWMKYWGNM-YBRHCDHNSA-N	211.264	2.739	30	50	BFEA	
C[C@H]1CC(=O)C=C(Nc2ccc(N)cc2)C1	5211402	UTZLKUALGLNGES-SECBINFHSA-N	216.284	2.564	30	50	BFEA	
CC1=CC(=O)CC(C)(C)[C@@]12CC[C@@H](C)O2	14765839	AXQMCYYCOKLZPP-ZWNOBZJWSA-N	208.301	2.869	30	50	BFEA	endogenous,in-man
CC(C)N(C=[N+](C(C)C)C(C)C)C(C)C	38244495	ZGVSCPOCGWSLNJ-UHFFFAOYSA-N	213.389	2.963	30	50	BFEA	
CN(C)c1ccc([C@H](C#N)N2CCCCC2)cc1	49609830	NBFNPTWKHQZQRU-HNNXBMFYSA-N	243.354	2.803	30	50	BFEA	in-vitro
N#Cc1c(F)ccc(C(F)(F)F)c1F	238625932	MSZXOQCUAPUNSY-UHFFFAOYSA-N	207.101	2.855	30	50	BFEA	
COCCCCB1OC(C)(C)C(C)(C)O1	253388133	ZCUZASBWRILIOM-UHFFFAOYSA-N	214.114	2.505	30	50	BFEA	
CCCCCC[C@@H]1CCC/C1=N\NC(N)=S	13562960	OWGUSBISUVLUJF-PIYPRNMZSA-N	241.404	2.946	30	50	BFEA	
C=CCN(Cc1ncc[nH]1)Cc1ccccc1C	55413527	UGFKLGKOAPFJIX-UHFFFAOYSA-N	241.338	2.906	30	50	BFEA	
CCC/N=C1\SCC(=O)N1c1ccccc1C	114896363	OYBHACSOBWDLDC-YPKPFQOOSA-N	248.351	2.841	30	50	BFEA	
Cc1cc(SCC#N)ncc1Br	215963356	ZITGOTXKCNWDKM-UHFFFAOYSA-N	243.129	2.768	30	50	BFEA	
CC(=O)C(=Cc1ccc(Cl)cc1)C(C)=O	1579202	OIQVUABIINFFPT-UHFFFAOYSA-N	222.671	2.901	30	50	BFEA	in-vitro
Cc1cnc(CNc2c(F)cc(C#N)cc2F)o1	192735740	JHFXENVWEVOBIQ-UHFFFAOYSA-N	249.220	2.745	30	50	BFEA	
Cc1nc(C#N)c(NCc2ccc(F)c(F)c2)o1	227155001	VCWSZHSFCLYPAC-UHFFFAOYSA-N	249.220	2.745	30	50	BFEA	
CC(C)c1ccc([C@@]2(C)O[C@@H]2C#N)cc1	306519824	JHOBRAMQRPHFDG-CHWSQXEVSA-N	201.269	2.948	30	50	BFEA	
N#Cc1ncc(C(F)(F)F)cc1N1CCCC1	1388047	LWSSGVODPGZOON-UHFFFAOYSA-N	241.216	2.572	30	50	BFEA	
C=CCc1cc(C(=O)NC(C)(C)C)ccc1OC	12381467	OYUSWOZLOSYCBR-UHFFFAOYSA-N	247.338	2.952	30	50	BFEA	
CCC[C@@]1(C)O[C@@]1(CCC)C(=O)OCC	211892699	DCUSFYHIRJFPOG-NEPJUHHUSA-N	214.305	2.677	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)NOc1ccccc1	585109986	LJEVVMIVBXYARD-LLVKDONJSA-N	219.284	2.699	30	50	BFEA	
O=C1CCCC(=O)C1=CNc1ccc(Cl)cc1	173809	OBMYJCYUQAECII-UHFFFAOYSA-N	249.697	2.958	30	50	BFEA	
CCN1/C(=C\C(C)=O)Sc2ccc(O)cc21	100766569	GCSZJMUFYOAHFY-WUXMJOGZSA-N	235.308	2.755	30	50	BFEA	in-vitro
C=C/C(O)=N/[C@H](c1nc(C2CC2)no1)C(C)C	328594542	SEPCXYHHQBNFMU-JTQLQIEISA-N	235.287	2.787	30	50	BFEA	
N#Cc1ccc(Oc2ncccc2C=O)cc1	1394923	LGFOTXWHBPRDBG-UHFFFAOYSA-N	224.219	2.558	30	50	BFEA	in-vitro
C=CCc1c(C)[nH]c2ccc(OC)cc2c1=O	8740036	VBNWZPCBIPFTOE-UHFFFAOYSA-N	229.279	2.574	30	50	BFEA	biogenic
N#Cc1ccc(N)c(-c2cccs2)c1	238578779	FGLSNAYDLMOOKK-UHFFFAOYSA-N	200.266	2.869	30	50	BFEA	
N#Cc1c[nH]c2nc(Cl)cc(Cl)c12	261508586	UVZULFCBDHDUBG-UHFFFAOYSA-N	212.039	2.741	30	50	BFEA	
C[C@@]1(c2cccc3ccccc23)O[C@H]1C#N	309434037	GXVOJQXMUDZHGY-KBPBESRZSA-N	209.248	2.977	30	50	BFEA	
Cc1nc2ccccc2cc1OC[C@@H]1O[C@@H]1C	1875325043	GQSAZKVSZNRXCV-YGRLFVJLSA-N	229.279	2.709	30	50	BFEA	
N#Cc1cc(Br)c2cc[nH]c2c1	2384057	LIXMZLHXLYDHRO-UHFFFAOYSA-N	221.057	2.802	30	50	BFEA	in-vitro
N#Cc1cc2cc(F)ccc2nc1Cl	11985180	DSSHKNDTEAQJEZ-UHFFFAOYSA-N	206.607	2.899	30	50	BFEA	in-vitro
N#C[C@@H]1CC[C@H](NC(=O)[C@H]2CC3CCC2CC3)C1	1857528080	GGZWKCSHANQQAW-UTAXJDLNSA-N	246.354	2.621	30	50	BFEA	
COc1cc(/C=N/Cc2ccco2)ccc1O	225790	HGRSNSKJFXSUTL-RIYZIHGNSA-N	231.251	2.613	30	50	BFEA	
N#Cc1c[nH]cc1-c1cccc2c1OC(F)(F)O2	2381595	MUJOIMFVNIBMKC-UHFFFAOYSA-N	248.188	2.875	30	50	BFEA	biogenic,in-vitro
CC1(C)OB(c2ccc3occc3c2)OC1(C)C	169743660	ZQCCCOMKYKVFFN-UHFFFAOYSA-N	244.099	2.732	30	50	BFEA	in-vitro
C=C(C)C[C@@H](C)C(=O)N[C@](C)(CO)CCCC	585089860	QBPOKPGBTYVZRM-OCCSQVGLSA-N	241.375	2.646	30	50	BFEA	
Nc1nc2ccccc2n1/N=C/c1ccccc1	348766	ABOHMJLHJPNTRZ-MHWRWJLKSA-N	236.278	2.501	30	50	BFEA	
C#CCOc1c(Cl)cc(C=O)cc1Cl	2727072	GBYFSVNODFASGY-UHFFFAOYSA-N	229.062	2.818	30	50	BFEA	in-vitro
CCCc1ccc([C@@]2(C)O[C@@H]2C#N)cc1	306524133	XGQQHRHUJQTYIR-CHWSQXEVSA-N	201.269	2.777	30	50	BFEA	
C=C1CC[C@]2([C@](C)(O)C[C@@H](O)C=C(C)C)C[C@H]12	2332925118	IBMZBQSRIYNBIV-YJNKXOJESA-N	236.355	2.811	30	50	BFEA	
N#CCSc1nc2ccccc2s1	2148847	GWSJKSFGUSSSKQ-UHFFFAOYSA-N	206.295	2.912	30	50	BFEA	in-vitro
O=C(O)c1ccccc1/N=C/c1ccccc1O	12375300	AMNAGEKFWSNOTE-OQLLNIDSSA-N	241.246	2.841	30	50	BFEA	
C[C@]1(c2cccc3ccccc23)O[C@H]1C#N	309434039	GXVOJQXMUDZHGY-UONOGXRCSA-N	209.248	2.977	30	50	BFEA	
C=CCCCOC(=O)c1cccc2[nH]ncc12	747139154	MHLSHZDOMUAHBR-UHFFFAOYSA-N	230.267	2.686	30	50	BFEA	
C#C[C@](C)(CC)NC(=O)c1ccc(Cl)cc1	99719	RZNCHSQULBAJPY-CYBMUJFWSA-N	235.714	2.872	30	50	BFEA	
N#Cc1ccc(COc2cccc(C=O)c2)cc1	7263306	ONXCUAVQNJMYLO-UHFFFAOYSA-N	237.258	2.950	30	50	BFEA	in-vitro
Cc1ccc(Br)c(CC#N)c1	168875053	WEFMDZHZHVGPSC-UHFFFAOYSA-N	210.074	2.824	30	50	BFEA	
N#CC1(Cn2ccc(C(F)(F)F)n2)CCC1	334969056	SETAMLWVLYKZDF-UHFFFAOYSA-N	229.205	2.596	30	50	BFEA	
N#Cc1ncc(-c2ccc(F)cc2)cc1F	1239474168	IYCBRTONOBBVLE-UHFFFAOYSA-N	216.190	2.898	30	50	BFEA	
O=C(CS)Nc1cccc(C(F)(F)F)c1	36629358	LRIKARNWWZHGBR-UHFFFAOYSA-N	235.230	2.574	30	50	BFEA	
CCOc1ccc(CC#N)cc1Br	452126	VCBJUORYPNLMNT-UHFFFAOYSA-N	240.100	2.914	30	50	BFEA	
C=C[C@@H](C)NC(=O)Nc1ccc([N+](=O)[O-])c(C)c1	153697248	LMKGOICZXLQARP-SECBINFHSA-N	249.270	2.599	30	50	BFEA	
C=C(C)COc1ccc(NC(C)=O)cc1	9814753	KZLWWMYAFYETPA-UHFFFAOYSA-N	205.257	2.600	30	50	BFEA	
N#Cc1c(Cl)c(F)cc(C(=O)O)c1Cl	79045448	PAJAHSZQWFSIFX-UHFFFAOYSA-N	234.013	2.702	30	50	BFEA	in-vitro
CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H](C#N)C2	101714859	UVURMTGIVKSLEM-RTCCRHLQSA-N	236.315	2.688	30	50	BFEA	
N#Cc1cc(N)ccc1N1CCCCCC1	19092725	PZBCMBNBNDTIMM-UHFFFAOYSA-N	215.300	2.521	30	50	BFEA	in-vitro
C=C[C@@H]1CCCCN1C(=O)OC(C)(C)C	35269702	RZTACBWUQPTZHE-SNVBAGLBSA-N	211.305	2.962	30	50	BFEA	
COc1cc(C#N)c(Cl)cc1Cl	67802869	CSHBTMCAUOTCLB-UHFFFAOYSA-N	202.040	2.874	30	50	BFEA	
C=C[C@H](C)OC(=O)c1ccc(C(C)=O)cc1	187569721	IOZPTDRROWOYBF-VIFPVBQESA-N	218.252	2.621	30	50	BFEA	
Cc1cc2c(SCC#N)ncnc2s1	4488357	KTRVCTWSSRPXSF-UHFFFAOYSA-N	221.310	2.615	30	50	BFEA	
Fc1ccccc1OCCCCS	16662298	NIEHZMHMXYBAMB-UHFFFAOYSA-N	200.278	2.915	30	50	BFEA	
N#Cc1cnn(-c2ccccc2)c1-n1cccc1	150137	CLPBUILTGSQXDN-UHFFFAOYSA-N	234.262	2.535	30	50	BFEA	
CCCCCOS(=O)(=O)c1ccc(C)cc1	2173398	KOUCTZDKTJGHSS-UHFFFAOYSA-N	242.340	2.891	30	50	BFEA	
N#Cc1ccc(-c2ccccc2C(=O)O)cc1	2528937	KXKMLGZDXQJDLU-UHFFFAOYSA-N	223.231	2.923	30	50	BFEA	
C=CCOC(=O)CCCC(=O)Nc1ccccc1	2847282	NCPRCGARSFMTPR-UHFFFAOYSA-N	247.294	2.525	30	50	BFEA	
COc1cc2ncc(C#N)c(Cl)c2cc1OC	16697533	HMLOMVBFQJAMCN-UHFFFAOYSA-N	248.669	2.777	30	50	BFEA	in-vitro
C=C1C(=O)O[C@@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@H]12	38264323	RBRPTFMVULVGIC-MDKNCZOUSA-N	246.306	2.586	30	50	BFEA	biogenic
CCOC(CC[C@H](C#N)C(C)C)OCC	71773702	FGRWNYIZKFOLSZ-LLVKDONJSA-N	213.321	2.961	30	50	BFEA	
CC(C)(C)OC(=O)NCc1ccc(C#N)s1	114162630	DXUXBZDPVIIKBO-UHFFFAOYSA-N	238.312	2.644	30	50	BFEA	
C=C(C)CN[C@H](C)c1ccc(OC)cc1OC	128480125	DWVFLHKENQMTHZ-LLVKDONJSA-N	235.327	2.931	30	50	BFEA	
C#CCCN(C)C(=O)c1cc(CC)c(C)s1	700580390	OSTZEEHZGXYVLC-UHFFFAOYSA-N	235.352	2.714	30	50	BFEA	
N#Cc1cccc(NC(=O)c2cccs2)c1	46151	UMGIUNNEDQZWNZ-UHFFFAOYSA-N	228.276	2.872	30	50	BFEA	
CCc1ccc(C#N)c(Br)c1	91306037	ABQVGEQFWXVFNU-UHFFFAOYSA-N	210.074	2.883	30	50	BFEA	in-vitro
C[C@H]1CC[C@H](NC(=O)Nc2cccc(C#N)c2)C1	158416120	BRMBAEWOTOQCEY-GWCFXTLKSA-N	243.310	2.868	30	50	BFEA	
Cc1cccc(CCNC(=O)CC(C)(C)C#N)c1	241139444	JQYXKEJAFXXYJA-UHFFFAOYSA-N	244.338	2.594	30	50	BFEA	
CCO/C=C(\CC)C(=O)C(F)(F)Cl	379347141	YONYRHDIZKOIEN-AATRIKPKSA-N	212.623	2.718	30	50	BFEA	
Cc1ncsc1CN[C@H](C)CC(C)(C)C#N	863983438	IBAIVMFHCZEQRP-SECBINFHSA-N	237.372	2.870	30	50	BFEA	
O=C1c2ccccc2N[C@H](c2cccs2)N1O	196122	OVWQPDCULUSUTF-NSHDSACASA-N	246.291	2.704	30	50	BFEA	
CC(=O)/C(Cl)=N\Nc1ccccc1C	104499241	YBRHPFGCYHUIGW-JLHYYAGUSA-N	210.664	2.548	30	50	BFEA	
CC[C@H](CC#N)NC(=O)C1=C[C@](C)(CC)C1	1775997375	CTMSCWXRBCHUHV-YPMHNXCESA-N	220.316	2.541	30	50	BFEA	
O=C(NO)c1ccc(-c2ccc(Cl)cc2)o1	226290097	YSTOHTQIBYANRV-UHFFFAOYSA-N	237.642	2.719	30	50	BFEA	
N#CCC(=O)Nc1cccc2ccccc12	50330	UWQDBRNNYSFJFC-UHFFFAOYSA-N	210.236	2.692	30	50	BFEA	in-vitro
N#C[C@]12CCCC[C@@H]1CCC1(C2)OCCO1	393196	XDZWVZVEAHGFPL-VXGBXAGGSA-N	221.300	2.614	30	50	BFEA	
CC1=NN([C@H](C#N)c2cccc(O)c2)C(C)(C)C1	1422394	OQDRHBXXPDTXIU-CYBMUJFWSA-N	243.310	2.817	30	50	BFEA	
O=C(/C=C/c1ccccc1)c1ccc(O)cc1O	4252553	JUMSUVHHUVPSOY-RMKNXTFCSA-N	240.258	2.994	30	50	BFEA	biogenic,in-vitro
N#Cc1nccnc1-c1cc2ccccc2o1	65508036	WCBCGZNLDYEBRW-UHFFFAOYSA-N	221.219	2.761	30	50	BFEA	
CCOc1ccccc1[C@H]1CC(=O)C=C(O)C1	95093692	FGSUULBFIUGQEH-SNVBAGLBSA-N	232.279	2.974	30	50	BFEA	
CCCn1nc(C(C)(C)C)c(CCC#N)c1O	153475879	GYFUEUNDKUXNIN-UHFFFAOYSA-N	235.331	2.752	30	50	BFEA	
C[C@H](C#N)SCc1ccc2c(c1)OCO2	336078513	FALJCYJMBICRAB-MRVPVSSYSA-N	221.281	2.561	30	50	BFEA	
CC1(C)OB(C(F)=C(F)F)OC1(C)C	1875390009	IARJWUZJQHTUFJ-UHFFFAOYSA-N	207.988	2.695	30	50	BFEA	
C=CCc1cc(C=O)cc(OC)c1OCC	4992638	KQKITKAUHIZELC-UHFFFAOYSA-N	220.268	2.635	30	50	BFEA	in-vitro
N#Cc1cnc2cc(Br)ccc2c1	95830136	QFRSJDDDOGXJKX-UHFFFAOYSA-N	233.068	2.869	30	50	BFEA	
C[C@H]1C=C(B2OC(C)(C)C(C)(C)O2)C[C@@H](C)O1	206072695	DBRPBBDCXSNINM-VHSXEESVSA-N	238.136	2.742	30	50	BFEA	in-vitro
C[C@@H]1CCCN1C(=O)/C=C/c1cccc(C#N)c1	173149220	CVPKCOMRANMUBF-ABZNLYFFSA-N	240.306	2.582	30	50	BFEA	
N#Cc1ccsc1NC(=O)c1cccs1	2642295	UMIVALFFGSRDRM-UHFFFAOYSA-N	234.305	2.934	30	50	BFEA	
COc1ccc(/C=C/C(=O)c2ccccn2)cc1	5526842	GFHMCCZEIHMATM-JXMROGBWSA-N	239.274	2.986	30	50	BFEA	
C=CCNC(=O)Nc1ccc(CC)cc1	6730151	GPQOILZUTUSVGJ-UHFFFAOYSA-N	204.273	2.557	30	50	BFEA	
C=C(C)C[C@]1(C(=O)OCC)CC[C@H](C)C1=O	71786934	CVFLYWFEPUYRBH-GXFFZTMASA-N	224.300	2.501	30	50	BFEA	
N#Cc1cc(F)c(Br)cc1F	34419669	YIEQHIRFLYNDKP-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
C=C/C(O)=N/[C@@H](c1ccccc1)c1nc(C)no1	328597028	CQBRTCIBDLQYOA-LBPRGKRZSA-N	243.266	2.610	30	50	BFEA	
C=CC1CCN(C(=O)OC(C)(C)C)CC1	39325932	LKUCYFONIRHGSQ-UHFFFAOYSA-N	211.305	2.820	30	50	BFEA	in-vitro
C[C@@H]1CC[C@@H](NC(=O)Nc2cccc(C#N)c2)C1	158416292	BRMBAEWOTOQCEY-ZWNOBZJWSA-N	243.310	2.868	30	50	BFEA	
COc1ccc(NC2=C(C)C(=O)CC2)cc1	287529	OIQAKWAVSVPOEE-UHFFFAOYSA-N	217.268	2.744	30	50	BFEA	
C=C(C)Cn1c(-c2ccco2)n[nH]c1=S	6492946	MGNMLBJVSAEQKS-UHFFFAOYSA-N	221.285	2.777	30	50	BFEA	
COc1ccc([C@@H](C#N)C2(O)CCCCC2)cc1	21984926	ASYJSBPNAIDUHX-CQSZACIVSA-N	245.322	2.998	30	50	BFEA	in-vitro
C=C[C@]12CCCC[C@@]1(C)C=C(C)C(=O)O2	71786117	WJNKCBPRBGPVFI-STQMWFEESA-N	206.285	2.995	30	50	BFEA	
O=C(/C=C/Nc1ccccc1)C(F)(F)F	2570219	PTCXQMALTDIQMW-VOTSOKGWSA-N	215.174	2.744	30	50	BFEA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C1CC1	5428926	CHNIPFJTNSOHAV-FPYGCLRLSA-N	217.224	2.587	30	50	BFEA	
CCC[C@H](C)[C@](C#N)(CC)C(=O)OCC	49588683	FOGOQVLUCORCHH-CMPLNLGQSA-N	211.305	2.906	30	50	BFEA	
C=C(Br)CN1CCCCCC1	52440867	AXIWYDKNWICISY-UHFFFAOYSA-N	218.138	2.771	30	50	BFEA	in-vitro
C(=C/c1ccco1)\C=N\Nc1ccccn1	1923319	JCKFWGUZPODCQJ-HNBAAQFOSA-N	213.240	2.786	30	50	BFEA	
C[n+]1cccc(C(=O)/C=C/C=C(Cl)Cl)c1	3137050	HWUBMJKDLQQWBS-GORDUTHDSA-N	243.113	2.569	30	50	BFEA	
O[C@@H](C#Cc1ccccc1)c1ccccc1	4071835	DZZWMODRWHHWFR-HNNXBMFYSA-N	208.260	2.772	30	50	BFEA	
CN(/N=C/c1ccc([N+](=O)[O-])o1)c1ccccc1	4989895	FBNFLHMGTZRYOE-UKTHLTGXSA-N	245.238	2.658	30	50	BFEA	
CC(C)(C)C(=O)[C@H](C#N)c1ccccc1	36930369	CPKKAXQSTQDLEN-LLVKDONJSA-N	201.269	2.909	30	50	BFEA	
COc1nc(Cl)c(C#N)c(C)c1Cl	51951704	FAJSGZKKDBVZAO-UHFFFAOYSA-N	217.055	2.577	30	50	BFEA	in-vitro
N#Cc1c(F)cccc1N[C@@H]1CCCOCC1	86870455	AOLJCCUVTHCKSC-SNVBAGLBSA-N	234.274	2.678	30	50	BFEA	
CC(C)(C)OC(=O)N1C[C@](C)(C=O)CC1(C)C	1857785471	RCVLNBFDXITWAI-CYBMUJFWSA-N	241.331	2.611	30	50	BFEA	
C=CCOc1cc(C(=O)O)cc2occc12	72228302	HHCSOIFPTUOHEK-UHFFFAOYSA-N	218.208	2.696	30	50	BFEA	
COc1ccccc1C#C[Si](C)(C)C	170160266	HNAJPTRCGNBCPB-UHFFFAOYSA-N	204.345	2.924	30	50	BFEA	
C=C(C)C[C@@H](C)C(=O)N1CCc2nc(F)ccc21	585122435	FWWOIEBMTJUJQH-SNVBAGLBSA-N	248.301	2.712	30	50	BFEA	
N=C(Nc1ccccc1)/C(N)=N/c1ccccc1	4100063	NMLPNHKAECKVKO-UHFFFAOYSA-N	238.294	2.765	30	50	BFEA	
C[C@@H]1CCCN(/C(S)=N\C2CCCC2)C1	13497362	NGNQBTFCORRJEQ-SNVBAGLBSA-N	226.389	2.947	30	50	BFEA	
N#Cc1cncc(NCC2CCCCCC2)n1	401312878	FQHMKAJJMMOHKR-UHFFFAOYSA-N	230.315	2.731	30	50	BFEA	
N#C[C@H](Sc1ncccc1F)C1CC1	601083796	NMJZEGUMLNSSNC-VIFPVBQESA-N	208.261	2.615	30	50	BFEA	
N#Cc1cc(O)ccc1-c1ccccc1C(=O)O	2325850852	JMRHSZIZLFBCAN-UHFFFAOYSA-N	239.230	2.629	30	50	BFEA	
CN(C)c1ccc(/C(=N\O)c2ccccc2)cc1	100383327	BWFJUJNDYYZWQU-NXVVXOECSA-N	240.306	2.979	30	50	BFEA	
CCOC(=O)[C@]1(CC)O[C@]12CCC[C@@H](C)C2	220824120	VBLDDIDQBGIOFP-WXHSDQCUSA-N	226.316	2.677	30	50	BFEA	
C=CCOC(=O)Nc1cc(C)ccc1OC	2165862	WWWABAGSXWMSME-UHFFFAOYSA-N	221.256	2.738	30	50	BFEA	
Cc1cccnc1/C=C/C(=O)c1ccncc1	5218788	RBOHAEPGSUAHFA-SNAWJCMRSA-N	224.263	2.681	30	50	BFEA	
CCOc1cc(Br)c(F)cc1C#N	95217936	RFQMRYFIZBEFEH-UHFFFAOYSA-N	244.063	2.859	30	50	BFEA	
C=CCCCc1nc(-c2ncoc2C)no1	225555967	PPCUOCHXIGXVJI-UHFFFAOYSA-N	219.244	2.542	30	50	BFEA	
Cc1cc(C)c([C@@]2(C)O[C@@H]2C#N)c(C)c1	306449612	AUSKDPCYHIVXKT-YPMHNXCESA-N	201.269	2.749	30	50	BFEA	
CCC[C@]1(C)O[C@@]1(CCC)C(=O)OCC	211892764	DCUSFYHIRJFPOG-RYUDHWBXSA-N	214.305	2.677	30	50	BFEA	
C=CCNC(=O)[C@H](C)Sc1ccc(C)cc1	2094093	BHMSFACNXNFPJG-NSHDSACASA-N	235.352	2.778	30	50	BFEA	
C#C[C@@](C)(CC)OC(=O)c1ccc([N+](=O)[O-])cc1	32190290	BMYYHJWJYBIWKL-ZDUSSCGKSA-N	247.250	2.554	30	50	BFEA	
N#Cc1cc(N)c(Cl)cc1Br	40456593	PFNQBUNIWRQPRB-UHFFFAOYSA-N	231.480	2.556	30	50	BFEA	in-vitro
ON=C(Cl)c1ccc(Br)cc1	387834865	ZOPFQZFNZNMZEF-UHFFFAOYSA-N	234.480	2.824	30	50	BFEA	
C#CCN(C)Cc1ccc(-c2ncco2)cc1F	1473442550	HJIAPXSENDDCIX-UHFFFAOYSA-N	244.269	2.546	30	50	BFEA	
CN(C)/C=C/C(=O)c1cccc(C(F)(F)F)c1	142350	WWXXUJAADIZIRL-VOTSOKGWSA-N	243.228	2.963	30	50	BFEA	
N#Cc1nc(-c2ccc(F)cc2)oc1NC1CC1	468630	LSUUEPJEACOLSM-UHFFFAOYSA-N	243.241	2.927	30	50	BFEA	
N#CC1(c2cccc(Cl)c2)CCOCC1	26514839	IGYRKNZKSDWJLM-UHFFFAOYSA-N	221.687	2.912	30	50	BFEA	
C=C(C)CNC(=S)Nc1ccccc1	8553298	WDEXQEFRTBKART-UHFFFAOYSA-N	206.314	2.549	30	50	BFEA	
Cc1cc(C)nc(-c2ccccc2C#N)n1	32573420	CPEXQIVTVLOUMT-UHFFFAOYSA-N	209.252	2.632	30	50	BFEA	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC=O)CC1	100007275	OPGBSEXLSWYFOR-PHIMTYICSA-N	241.331	2.659	30	50	BFEA	
CC(C)(C#N)c1cc(Br)ccn1	216331029	OXTKTYKANRFXEV-UHFFFAOYSA-N	225.089	2.645	30	50	BFEA	
N#Cc1ccc(-c2ccnc3[nH]ccc23)c(CO)c1	1875330992	KRXMVFMTRPBNDS-UHFFFAOYSA-N	249.273	2.594	30	50	BFEA	
O=C1/C(=C\C=C\c2ccccc2)N2CCC1CC2	39324000	BYGXMZALOKSELM-DUEVJXGLSA-N	239.318	2.878	30	50	BFEA	
CC[C@H](C)NC(C)=C1C(=O)c2ccccc2C1=O	100559162	XLBSQWPXRZXYRF-VIFPVBQESA-N	243.306	2.728	30	50	BFEA	
O=C1/C(=C/[C@@H]2CCCO2)CC/C1=C\[C@@H]1CCCO1	4547637	XVSALPHMDLRPHB-KFKSWXRUSA-N	248.322	2.560	30	50	BFEA	
Cc1cc(/C=C/C(=O)c2ccncc2)ccc1O	5212294	JYRCJGLHMFSVSJ-HWKANZROSA-N	239.274	2.992	30	50	BFEA	
CCCCOc1cc(C)nc(C)c1C#N	5297363	NWKIDXMIFUPKGE-UHFFFAOYSA-N	204.273	2.749	30	50	BFEA	
Cc1cc(/N=C/c2cccc([N+](=O)[O-])c2)no1	43761138	WKOHMUUUDGDKJI-KPKJPENVSA-N	231.211	2.642	30	50	BFEA	
N#Cc1ccccc1CN1CC(c2ccncc2)C1	72120884	HVDYVGQRVXTJFZ-UHFFFAOYSA-N	249.317	2.553	30	50	BFEA	
C[C@@H]1C[C@@H](C#N)CCN1C(=O)OC(C)(C)C	144012081	XXKVWQNGTUSFSH-ZJUUUORDSA-N	224.304	2.546	30	50	BFEA	
CC#CCn1ccnc1-c1cccs1	158308714	PUWFNTHYCAUBTN-UHFFFAOYSA-N	202.282	2.635	30	50	BFEA	
C=CCNc1oc(-c2ccccc2F)nc1C#N	2373865	DKEYHSUBGLHLIJ-UHFFFAOYSA-N	243.241	2.950	30	50	BFEA	
CC(C)(C)OC(=O)N1CCCC[C@@]1(C)C#N	38302357	GFJGITBGEUGJIU-LBPRGKRZSA-N	224.304	2.690	30	50	BFEA	in-vitro
FC(F)(F)COC(F)(F)C(F)(F)F	95681909	ZOMISZRVOJQGOT-UHFFFAOYSA-N	218.043	2.720	30	50	BFEA	in-vitro
C=C/C(O)=N/C[C@H]1CCN(C)c2ccccc21	328600736	ZJKHLHFJBLOGPM-LLVKDONJSA-N	230.311	2.753	30	50	BFEA	
O=[N+]([O-])c1ccccc1N/N=C/c1ccco1	4677070	ZMMJYEWJEHLAMT-XYOKQWHBSA-N	231.211	2.634	30	50	BFEA	
C=CCc1ccccc1OCCN1CCCC1	4845220	RDBUWCJPKOUIHP-UHFFFAOYSA-N	231.339	2.890	30	50	BFEA	
C/N=C(/S)N1CCC(Cc2ccccc2)CC1	6331619	FLCZVCSNQTVRTF-UHFFFAOYSA-N	248.395	2.857	30	50	BFEA	
C=CCN(Cc1ncc[nH]1)Cc1ccc(C)s1	55576226	HGXZPACVBOXZMW-UHFFFAOYSA-N	247.367	2.968	30	50	BFEA	
CCCC[C@H](C=O)Oc1ccc([N+](=O)[O-])cc1	214493300	UXPHQJIZAVORDI-GFCCVEGCSA-N	237.255	2.731	30	50	BFEA	
CSC1=N/C(=C\c2ccc(C)o2)C(=O)S1	199435	RYYQSYCYNQWETF-YVMONPNESA-N	239.321	2.921	30	50	BFEA	
C=CCNC(=O)[C@@H](C)Oc1ccccc1C(C)C	20486743	RYKOCBGGBALLLF-GFCCVEGCSA-N	247.338	2.880	30	50	BFEA	
CC(C)(C)C(=O)c1cccc(CC#N)c1	399080	UKXHZNYJVJGMKU-UHFFFAOYSA-N	201.269	2.981	30	50	BFEA	
C=C(C)C(=O)N(CC)c1ccccc1C	2160126	IFDHZHUTMRJWHT-UHFFFAOYSA-N	203.285	2.924	30	50	BFEA	
N#Cc1ccccc1NC(=O)C#Cc1ccccc1	6699948	YAAXGESBCBTLRA-UHFFFAOYSA-N	246.269	2.548	30	50	BFEA	
C=CCNC(=S)Nc1ccc2nc(C)oc2c1	13571580	WAMSLOVFRZZAKX-UHFFFAOYSA-N	247.323	2.609	30	50	BFEA	
C=CCN[C@@H](C)c1ccccc1N(C)C	130668903	BQXKIDHGLAIANS-NSHDSACASA-N	204.317	2.589	30	50	BFEA	
COC(=O)CCCCCCCC[C@H]1CO1	1609594	UGYHPPMOOSFOTN-NSHDSACASA-N	214.305	2.679	30	50	BFEA	biogenic
C=C1C(=O)O[C@@H]2C[C@@H](C)C(/C=C/C(C)=O)=CC[C@H]12	105227205	RBRPTFMVULVGIC-BDFHWDRJSA-N	246.306	2.586	30	50	BFEA	
C#C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	245189297	NZTBBJYAWNVCOE-XYPYZODXSA-N	223.316	2.703	30	50	BFEA	in-vitro
C=CCNC/C=C/COc1ccc(F)cc1	12343794	IIFJLAYCEAXVOA-ONEGZZNKSA-N	221.275	2.536	30	50	BFEA	
N#Cc1cc(Br)cc(F)c1F	91301801	MMCIFQUWYTZTIW-UHFFFAOYSA-N	218.000	2.599	30	50	BFEA	in-vitro
CCNc1oc(-c2cccs2)nc1C#N	1775976653	OKNNCDHNPSUVOR-UHFFFAOYSA-N	219.269	2.707	30	50	BFEA