smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C/C1=C\Cc2cc(ccc2O)OC/C(C)=C/CC1	899549	BSXTWYDVYNXVHH-YKNDAMCPSA-N	244.334	4.000	0	1	BHAF	biogenic,in-vitro
CC1=C2CC[C@](C)(O)[C@H]2[C@@H]2[C@@H](CC1)C2(C)C	14856509	FPRYGNYXOFHMLF-CXTNEJHOSA-N	220.356	3.530	0	1	BHAF	endogenous,in-man
CC(C)c1ccncc1-c1cc(F)c(O)c(F)c1	473088055	HRIBPTNPPPEBMO-UHFFFAOYSA-N	249.260	3.856	0	1	BHAF	
Cc1ccncc1-c1cc2c3c(cccc3n1)CC2	587212691	QBVGSHRZZYQABP-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
c1coc([C@H]2Nc3ccccc3[C@@H]3OCC[C@@H]23)c1	13151308	ZQRYWYRQXPVNFH-CQDKDKBSSA-N	241.290	3.524	0	1	BHAF	
CCCN1CCC[C@H]([C@H]2CCC[C@@H](C)C2)C1	58568556	MFQJGOGNSWZAMY-ILXRZTDVSA-N	223.404	3.935	0	1	BHAF	
CC1=C[C@H]2OC(C)(C)[C@@H]3CC[C@H](C)[C@@]23CC1	100829373	JGKMDLIITSKWAD-RMRHIDDWSA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
CC1(C)C[C@@H]2[C@@H]1CC[C@](C)(O)[C@H]1CC[C@@]12C	257398324	CPLGPDHGFNXBOA-OEMOEHNSSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
COc1cc2nc(C3=CCCC3)[nH]c2cc1Cl	586886004	YLQAYTCVGIZIIE-UHFFFAOYSA-N	248.713	3.792	0	1	BHAF	
C[C@@]12CCC[C@]1(C)[C@@H]1C[C@@]2(C)CC[C@@H]1CO	2356404020	AQPTUSRPCDHRQG-RYPNDVFKSA-N	222.372	3.611	0	1	BHAF	
C[C@@H]1C(=O)C[C@@]2(C)C[C@H]1[C@@]1(C)CCC[C@]21C	2356691309	DRNLMIXGZNDYEP-PWRGDLIESA-N	220.356	3.818	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)[C@](C)(O)CC[C@@H]2C(C)C	9222070	LHYHMMRYTDARSZ-CBBWQLFWSA-N	222.372	3.776	0	1	BHAF	biogenic,in-vitro
C=C1C=C[C@H]([C@@H](C)CCC=C(C)C)C[C@H]1O	14859925	UNSGLJWOHGSVLW-AEGPPILISA-N	220.356	3.862	0	1	BHAF	biogenic
Cc1nc2cccc3c2c(c1C1CC1)CC3	587214083	OEMDMQULJHGHIR-UHFFFAOYSA-N	209.292	3.519	0	1	BHAF	
CC[C@@H]1OCCC[C@H]1c1nc2ccc(C)cc2[nH]1	586911848	MQQLZVUJWYQBAU-RISCZKNCSA-N	244.338	3.544	0	1	BHAF	
c1ccc(-c2csc(Cn3ccnc3)c2)cc1	29130363	LOGYRTOPJWOZEE-UHFFFAOYSA-N	240.331	3.660	0	1	BHAF	
CC1(C)CCC=C2C[C@H](CO)C(C)(C)[C@@]21C	2356552069	CDVKOPSZZHDBPE-DOMZBBRYSA-N	222.372	3.778	0	1	BHAF	
CCN(C)[C@@H](C)Cc1cccc(C(F)(F)F)c1	38813872	KNELLTQVCHKYBM-JTQLQIEISA-N	245.288	3.588	0	3	BHAF	
CCCOC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	27095789	QXWDAKBZLIENSO-ZDUSSCGKSA-N	248.366	3.942	0	1	BHAF	
COc1ccc(CCCc2ccc(O)cc2)cc1	72175564	QDMJQCMUSFNVCX-UHFFFAOYSA-N	242.318	3.576	0	1	BHAF	
c1coc(-c2cc3c4c(cccc4n2)CC3)c1	587215616	KGFDIXFVYAVPCH-UHFFFAOYSA-N	221.259	3.593	0	1	BHAF	
Cc1cc(C)c2[nH]ccc2c1CN1CCCCC1	1911577016	RXZDXXAALUJXNK-UHFFFAOYSA-N	242.366	3.771	0	1	BHAF	
C1=C(c2csc3ccccc23)C2CCN1CC2	13740317	WTWPGUIYLXNGRX-UHFFFAOYSA-N	241.359	3.968	0	1	BHAF	
O=C(O)CCCCCCCCC/C=C\CCO	224878696	PXYSSHWBJZENJR-CLFYSBASSA-N	242.359	3.521	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(Cl)nc2[nH]1	586891525	RLSKMMSTMXNTKF-JMCQJSRRSA-N	235.718	3.515	0	1	BHAF	
COc1ccc(/C=C/c2ccc(N)c(F)c2)cc1	1857631743	QEOBQRDHZPTYCX-NSCUHMNNSA-N	243.281	3.587	0	1	BHAF	
CCOC(=O)[C@@H]1CCCC1=Cc1ccc(C)cc1	2356829167	IVORJBXEPTVCGJ-OAHLLOKOSA-N	244.334	3.742	0	1	BHAF	
CCO[P@@]1(=O)C=C(C)C(Cl)=C(C)C1	5840748	JGIMOEHVVMWQGZ-ZDUSSCGKSA-N	220.636	3.731	0	1	BHAF	
COc1ccccc1CC1=CC[C@@H](C)CC1	26839937	PLKAFSDTBHOTRA-GFCCVEGCSA-N	216.324	3.984	0	1	BHAF	
Cc1ccc(Cl)c(NC2=N[C@H](C)CC2)c1	143101936	QQARYPWIHQZGRL-SECBINFHSA-N	222.719	3.641	0	1	BHAF	
CCc1ccccc1Nc1nc(C)cs1	1173968214	QNQGZWJAERMMJS-UHFFFAOYSA-N	218.325	3.758	0	1	BHAF	
N=C1C[C@@H](c2ccccc2)c2ccccc2N1	96908690	ZIEPGDHLBJIXNE-ZDUSSCGKSA-N	222.291	3.611	0	1	BHAF	
CC1(C)O[C@@]23C=CCC[C@]2(C)CC[C@H]1C3	263636765	IEZDOTGOEOFYHV-IACUBPJLSA-N	206.329	3.690	0	1	BHAF	
C=CC(C)=CC[C@@]1(C)C(C(=O)O)=CCC[C@@H]1C	2356579006	NHASXRPHDCXJBS-SWLSCSKDSA-N	234.339	3.956	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C=C(CO)CC[C@@H]12	14918086	DFIKBBWSGFHYMP-ILXRZTDVSA-N	220.356	3.554	0	1	BHAF	biogenic
CCCCNc1nccc2[nH]c3ccccc3c12	40973545	IXKMSVHWGUFUOT-UHFFFAOYSA-N	239.322	3.928	0	1	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]21CC[C@]3(C)O	100044843	SVURIXNDRWRAFU-FMKNKJFCSA-N	222.372	3.610	0	1	BHAF	
C[C@@H]1CCC=C2CC[C@H](C(C)(C)O)[C@H](C)[C@H]21	2356463375	YEDSHUOBTRDKLW-UVLXDEKHSA-N	222.372	3.776	0	1	BHAF	
COC(=O)C1=Cc2c(C(C)C)ccc(C)c2CC1	13381378	PJGZRSIFHFSDIK-UHFFFAOYSA-N	244.334	3.621	0	1	BHAF	biogenic
Cc1ccc2c(c1C)CCc1ccoc1C2	14636185	VCIIUHSCOAPHTC-UHFFFAOYSA-N	212.292	3.586	0	1	BHAF	biogenic
CC1=CCC[C@](C)(O)[C@@H]2CC(C)(C)C[C@@H]2C1	18284235	FNFDOMBAWBPKHS-GUTXKFCHSA-N	222.372	3.920	0	1	BHAF	
CC1=C[C@]2(CC1)[C@H](C)CC[C@@H](C(C)C)[C@H]2O	33951407	MYLXGCVCCZCOHU-LXTVHRRPSA-N	222.372	3.776	0	1	BHAF	
CC(C)[C@H]1/C=C/[C@@](C)(O)CC/C=C/CC1	34619582	HLACYKWDKMDHMU-YHUNYKRISA-N	208.345	3.696	0	1	BHAF	
Cc1c(C(F)(F)F)nc2cccc3c2c1CC3	587210225	KJESPUGBRMINFS-UHFFFAOYSA-N	237.224	3.661	0	1	BHAF	
CC[C@@H]1OCCC[C@H]1c1nc2cccc(C)c2[nH]1	586914251	UVNKXMNUIGXEFJ-YPMHNXCESA-N	244.338	3.544	0	1	BHAF	
CC[C@H](C)c1nc2cc(C)cc(F)c2[nH]1	587954986	DPFDPSCFTQYVEL-QMMMGPOBSA-N	206.264	3.524	0	1	BHAF	
CC1(C)C=CC[C@]2(C)C[C@H](CO)C(C)(C)[C@H]12	2356651860	FZXLNBSTYCEHDA-TYNCELHUSA-N	222.372	3.633	0	1	BHAF	
CC1=CC[C@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CO	5063143	HMWSKUKBAWWOJL-IPYPFGDCSA-N	222.372	3.778	0	1	BHAF	in-vitro
CC1=CC[C@H](C(C)C)[C@@H]2C[C@@H](C)C(=O)C=C12	14918245	MTZVTPNRLNIWQL-BZPMIXESSA-N	218.340	3.760	0	1	BHAF	biogenic
CC1=CCC[C@]2(C)CC[C@@H](C(C)C)[C@@H](O)[C@@H]12	15209376	AYZYZJOUAKBQDF-GBJTYRQASA-N	222.372	3.776	0	1	BHAF	
C[C@]12N[C@H](CC3=C1CCCC3)[C@@H]1CCCC[C@@H]12	25998008	YGTVUMWZFUCODU-BVUBDWEXSA-N	231.383	3.798	0	1	BHAF	
CN(C)C[C@H]1C[C@H]1c1ccc2ccccc2c1	28960440	HCOYSMZXQIWWOK-CVEARBPZSA-N	225.335	3.505	0	1	BHAF	
C/C(=C\CCC(C)C)c1ccc(CO)cc1O	72106504	NWPUHDAIOGMKFI-WUXMJOGZSA-N	234.339	3.724	0	1	BHAF	in-vitro
C[C@@]12N[C@@H](Cc3ccccc31)C[C@H]1CCCC[C@H]12	253849837	DMDUWMGEBWRLLD-YALNPMBYSA-N	241.378	3.626	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1-c1ccncc1	587636731	GGCFOFFBVJFDRY-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
Cc1cc2nc(C=C3CCC3)[nH]c2cc1F	587965607	UVAZKVYIBQRLDV-UHFFFAOYSA-N	216.259	3.578	0	1	BHAF	
CC1=Cc2c(C)coc2C(=O)[C@]12CCC[C@H]2C	2356419920	IZGYUJRBTLSOFP-BMIGLBTASA-N	230.307	3.994	0	1	BHAF	
COc1ccc(/C=C\c2cccc(O)c2)cc1	28712378	PGUWMMWBXKRYFT-WAYWQWQTSA-N	226.275	3.571	0	1	BHAF	
Cc1ccc(-c2ccc3c(n2)CCCC3=O)cc1	66101384	OURFQBLSNQLOGI-UHFFFAOYSA-N	237.302	3.576	0	1	BHAF	
CC(C)C1=CC[C@@]2(C)C[C@@H](O)C[C@H](C)C2=C1	69481876	KNUCOFYQBDJBHF-WHOFXGATSA-N	220.356	3.696	0	1	BHAF	biogenic,in-vitro
CC1(C)CCCC2=C[C@H](CO)C(C)(C)[C@]21C	238743701	HPLQGFVYWQGCAW-IUODEOHRSA-N	222.372	3.778	0	1	BHAF	
CC(CO)=C1CC(C)(C)C[C@@H]2[C@@H](C)CC[C@@H]12	2356817241	DJBXKQSFHIRXRM-CYZMBNFOSA-N	222.372	3.778	0	1	BHAF	
CCCCn1c2ccccc2c2cnccc21	29062019	CMUBQNNGGBWNQS-UHFFFAOYSA-N	224.307	3.990	0	1	BHAF	
CC(C)(C)C1=CSC2=N[C@H]3CCCC[C@H]3N12	40738072	JHGPUVYVPAWRDX-VHSXEESVSA-N	236.384	3.604	0	1	BHAF	
C[C@H]1[C@H]2C[C@@H](C[C@@H]2[C@@H]2CCC[C@@H](O)C2)C1(C)C	100152142	BWVZAZPLUTUBKD-XWSJDDSLSA-N	236.399	3.856	0	1	BHAF	endogenous,in-man
Fc1ccc([C@H]2CC(c3ccccc3)=NO2)cc1	103179021	NXCJAQVTNGHLRI-OAHLLOKOSA-N	241.265	3.691	0	1	BHAF	
CC(C)/C1=C/[C@@H](O)[C@@H](C)C/C=C/[C@@H](C)CC1	523042461	XRVZBFPDDHAYMH-NPPSJGFASA-N	222.372	3.942	0	1	BHAF	biogenic
CC(C)(C)c1cccc2nc(C3=COCC3)[nH]c12	586913071	LUPSVHLXEHEBFS-UHFFFAOYSA-N	242.322	3.622	0	1	BHAF	
C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ccccc12	3786189	HSJIVJPREZQHFK-VIFPVBQESA-N	239.274	3.509	0	1	BHAF	
Cc1ccc2c(n1)C[C@@H]1CC[C@@]2(C)C1(C)C	14637911	BGCPDKKBYLHBFS-XHDPSFHLSA-N	215.340	3.640	0	1	BHAF	biogenic,in-vitro
C[C@@]12CC3C[C@]1(C)CC3(NCc1ccccc1)C2	40860786	NZMXOZPNOMAZGW-HPZPOOBXSA-N	241.378	3.745	0	1	BHAF	
CC1=C[C@H]2C(=C(C)C)CC[C@H](C)[C@H]2[C@@H](O)C1	238731140	BEIGEIPJNFKPQA-CYUUQNCZSA-N	220.356	3.696	0	1	BHAF	
C/C1=C\C[C@H]2[C@@H](C/C(C)=C/CC1)OC(=O)[C@@H]2C	238757834	QJRFOUJEGHRZIU-YCCMYYANSA-N	234.339	3.631	0	1	BHAF	
Clc1ccc2c(c1)CN1CCCCCC1=N2	49925470	ZSYBVMLBRRAALN-UHFFFAOYSA-N	234.730	3.760	0	1	BHAF	
CCC1(CC)C2C[C@H]3C[C@H](C2)CC1(NC)C3	103023681	YGDGWJWCWSQRCX-SIUPQYRZSA-N	221.388	3.591	0	1	BHAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cccc(C)c2[nH]1	586914246	UVNKXMNUIGXEFJ-AAEUAGOBSA-N	244.338	3.544	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@@H]1c1ccc(F)cc1	13755489	GCCTVSRWDHKLKK-CABCVRRESA-N	235.346	3.804	0	1	BHAF	
CCN1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1	27716767	LSNZMJWFCKUFCO-LBPRGKRZSA-N	249.785	3.638	0	1	BHAF	
C/C=C(\C)[C@@H]1CC(=O)c2cc(Cl)ccc2O1	40835751	WNLKLQTXTCBZQM-UTPRNQHHSA-N	236.698	3.640	0	1	BHAF	
C[C@@H](N=O)c1ccc2c3c([nH]c2c1)CCCC3	169690203	GCIKVSLEBNEOCU-SECBINFHSA-N	228.295	3.874	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3C(=CC[C@H]2C)C(=O)O[C@H]13	2356716307	JRAJNCLSYAFYFH-CWCGIWEBSA-N	248.366	3.567	0	1	BHAF	
CC(C)=CCC[C@@H](C)[C@@]12CC[C@@](C)(O)[C@@H]1C2	14697019	IRDFGGRWKUKANK-BARDWOONSA-N	222.372	3.920	0	1	BHAF	in-man
C[C@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC[C@]3(C)O	36385317	SVURIXNDRWRAFU-ZCRGAIPPSA-N	222.372	3.610	0	1	BHAF	biogenic,in-vitro
CCCCCCNC(=O)Oc1ccc(C)cc1	42988712	VJCMYRWPWMLBGE-UHFFFAOYSA-N	235.327	3.664	0	1	BHAF	
Fc1ccccc1[C@@H]1C=Cc2ccccc2O1	299837400	QRZFPOIUSDERSY-HNNXBMFYSA-N	226.250	3.973	0	1	BHAF	
CC(C)=CC[C@H]1Oc2cc(C)c(O)cc2[C@@H]1C	2356794075	HSNGQEFVJJBZCD-SMDDNHRTSA-N	232.323	3.921	0	1	BHAF	
C[C@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@]3(C)O	968465	SVURIXNDRWRAFU-QIRZIZBZSA-N	222.372	3.610	0	1	BHAF	
C[C@@H](c1ccc2ccccc2c1)c1ncc[nH]1	13450526	WVDIRTLHBANRPM-NSHDSACASA-N	222.291	3.715	0	1	BHAF	
CCCCOc1ccc(-c2ccncc2)cc1	13530173	CFJNAALMLFXEDF-UHFFFAOYSA-N	227.307	3.928	0	1	BHAF	
c1ccc2c(c1)CC[C@H]1[C@H](c3ccncc3)[C@@H]21	13741584	KNIGVLQBCXKAGG-JYJNAYRXSA-N	221.303	3.525	0	1	BHAF	
COc1cc(C(C)C)c2c(c1C)C(=O)C(C)(C)C2	14679472	NOCWBZZHYPKCKG-UHFFFAOYSA-N	246.350	3.892	0	1	BHAF	biogenic
C/C(=C\CN(C)C)c1ccc2cc(O)ccc2c1	28642428	CAUBKGFLXMKVIN-XYOKQWHBSA-N	241.334	3.510	0	1	BHAF	
C[C@H]1CC[C@H]2[C@@H](C)CC[C@H](c3ccoc3)N2C1	238739049	VACYOTYBTLYIEB-NZBPQXDJSA-N	233.355	3.851	0	1	BHAF	
CC[C@H]1CCc2c1nc1cccc3c1c2CC3	587214159	PLHRZBFVTKXDKT-JTQLQIEISA-N	223.319	3.773	0	1	BHAF	
COc1cc(O)c2c(c1)CCC21CCCCC1	13328508	QMZSJEYAJUNUSB-UHFFFAOYSA-N	232.323	3.549	0	1	BHAF	biogenic
C=Cc1ccc(OC(=O)c2ccccc2)cc1	14829602	OWXOPPOUUFQEPB-UHFFFAOYSA-N	224.259	3.549	0	1	BHAF	biogenic
C[C@@]12N[C@@H](Cc3ccccc31)C[C@H]1CCCC[C@@H]12	36011778	DMDUWMGEBWRLLD-YQFWSFKMSA-N	241.378	3.626	0	1	BHAF	
C[C@@H](CCC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	85845240	GDGGAJNITUJKMP-CUQRPORWSA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
Clc1ccc2nc(C=C3CCC3)[nH]c2c1	587965879	ZLJFMUFHVHJZSL-UHFFFAOYSA-N	218.687	3.784	0	1	BHAF	
Cc1ccc2c(c1)[C@@H](C(C)C)CC=C2CO	2356386701	SQUQSEUADQDUJA-CYBMUJFWSA-N	216.324	3.514	0	1	BHAF	
C[C@@H]1C(=O)C[C@@H]2[C@@H]([C@@H]3[C@@H]1CC[C@H]3C)C2(C)C	2356780897	GZWAUGUBRNNGII-AWLJRIHNSA-N	220.356	3.530	0	1	BHAF	
COc1cc2c(cc1C)[C@](O)(C(C)C)CC[C@H]2C	13381435	HGNDGYPWLHDLPF-BDJLRTHQSA-N	248.366	3.745	0	1	BHAF	biogenic
C[C@@H](CCN(C)C)c1ccc2cc(O)ccc2c1	28641898	DMMVIFXRTCFPHZ-LBPRGKRZSA-N	243.350	3.601	0	1	BHAF	
CC[C@@H]1C[C@@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	29481004	OWBORVXXMMDEAN-LBRJOISOSA-N	243.394	3.619	0	1	BHAF	
CC1(C)C[C@H]2C[C@]3(C)[C@H](O)CC[C@]3(C)[C@H]2C1	36467601	MIUZCESAFHFHFT-CWFCOSEVSA-N	222.372	3.610	0	1	BHAF	
CN(C1CCCC1)[C@H]1CCC(=O)c2ccccc21	40834754	YXOZJSADYOOVGQ-HNNXBMFYSA-N	243.350	3.579	0	1	BHAF	
CC(C)=C[C@@H]1[C@@H](C)CC[C@@H]2[C@H](C)CC[C@]12O	86032855	QGALFKRHZSPTEG-NJVJYBDUSA-N	222.372	3.776	0	1	BHAF	in-man
CC(C)[C@H]1CC[C@]2(C)CC=C(C(=O)O)CC=C12	238748338	IJONQLXWTMQRPH-DOMZBBRYSA-N	234.339	3.790	0	1	BHAF	
CC[C@@H](C)c1nc2cc(C)cc(F)c2[nH]1	587954983	DPFDPSCFTQYVEL-MRVPVSSYSA-N	206.264	3.524	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C(=O)O)CC[C@@]2(C)C1	2356799693	UTAPFIDKLZCUOR-IDTSFGKNSA-N	236.355	3.704	0	1	BHAF	
Cc1cccc(OCCCCN2CCCC2)c1C	2497050	ZKGDIDASEFQYGE-UHFFFAOYSA-N	247.382	3.558	0	1	BHAF	
CC1=CC[C@]2(O)[C@H](C)CC[C@H](C(C)C)[C@H]2C1	13381716	UNIAPSVPVLDCMD-TUVASFSCSA-N	222.372	3.776	0	1	BHAF	biogenic
C=C1C=CC[C@@H](C)CC(=O)c2c(C)coc2C1	15160656	KIOIOKFCSBQUGC-SNVBAGLBSA-N	230.307	3.856	0	1	BHAF	biogenic
Nc1cccc(/C=C2\C=Cc3ccccc32)c1	36382733	CPUGMFAWRNBIHY-GXDHUFHOSA-N	219.287	3.836	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(Cl)ncc2[nH]1	586889707	MNJUFOOEYSHECP-MADCSZMMSA-N	235.718	3.515	0	1	BHAF	
CC(C)=CCc1ccc2c(c1)NC(=O)C2=C(C)C	2356604714	DXUIVKIVTFTDKE-UHFFFAOYSA-N	241.334	3.941	0	1	BHAF	
COc1ccc2cc(-c3ccsc3)ncc2c1	36388888	STOHIIPAPCWUAS-UHFFFAOYSA-N	241.315	3.972	0	3	BHAF	
COc1ccc2cc(-c3ccsc3)cnc2c1	8076	AOLUUEDZXBVWED-UHFFFAOYSA-N	241.315	3.972	0	1	BHAF	in-vivo
C=C1C=C[C@H]([C@]2(C)CCCC2(C)C)C[C@H]1O	14948205	SDHORTCDXPFLAK-GUTXKFCHSA-N	220.356	3.696	0	1	BHAF	biogenic
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)CCC[C@@]2(O)C1	100781844	FUQAYSQLAOJBBC-AYRXBEOTSA-N	222.372	3.754	0	1	BHAF	endogenous,in-man
CC(C)[C@H]1CC(C)(C)C=C2[C@H](C)CC[C@@]21O	140646106	XDLCURIUCCHLSA-JMSVASOKSA-N	222.372	3.776	0	1	BHAF	
CC1=CC[C@@H]2[C@@H]3C[C@H]1[C@]2(C)[C@@H](O)C[C@@H]3C(C)C	1772630797	STGDIGPHLKTVET-SDSMMKDESA-N	234.383	3.632	0	1	BHAF	
CC1=CC[C@H](C(C)C)C[C@@H]2[C@@H]1CC[C@@]2(C)O	2356571547	UQBJCGOOKGDNGP-GBJTYRQASA-N	222.372	3.776	0	1	BHAF	
CC1=CC[C@]2(C(=C(C)C)CC[C@@H]2C)[C@@H](O)C1	13307482	XDDWKHKVKLJESI-QEJZJMRPSA-N	220.356	3.840	0	1	BHAF	biogenic
CCC[C@]12N[C@H](Cc3ccccc31)c1ccccc12	26015877	FYZYJIPHMYDLKT-MSOLQXFVSA-N	249.357	3.931	0	1	BHAF	
c1cncc([C@H]2[C@H]3CCc4ccccc4[C@H]32)c1	27982495	QRKOWDMRFAGLGC-OWCLPIDISA-N	221.303	3.525	0	1	BHAF	
NC12C[C@H]3C[C@H](C1)CC(C1CCCCC1)(C3)C2	101742978	WLPZAHQYMVQLHL-VRLRAXNCSA-N	233.399	3.864	0	1	BHAF	
c1ccc(-c2cnn[nH]2)c(CCC2CCCC2)c1	1857562849	PYZFWDNEIZQUPK-UHFFFAOYSA-N	241.338	3.595	0	1	BHAF	
c1cc2c3c(cccc3c1)[C@@H](c1c[nH]cn1)CC2	13757208	KFGFWNKBPWPCKX-ZDUSSCGKSA-N	234.302	3.641	0	1	BHAF	in-vivo
Cc1ccc([C@@]2(C)CC[C@H](C(C)C)O2)o1	14723380	OTCYDBRXABTHJM-DGCLKSJQSA-N	208.301	3.638	0	1	BHAF	biogenic
CCc1c(-c2ccccn2)[nH]c2cccc(F)c12	587636659	BOYIWVWWVXCTKW-UHFFFAOYSA-N	240.281	3.931	0	1	BHAF	
CC(C)(C)[C]1C=CC(=C2NC=CC=C2O)C=C1	2356809537	ZVQDLCXKYMNZGN-UHFFFAOYSA-N	228.315	3.546	0	1	BHAF	
C/C1=C/CC[C@@H](C)C(=O)C[C@H](C(C)C)C(=O)C1	15255941	KDPFMRXIVDLQKX-RLLAQXBXSA-N	236.355	3.553	0	1	BHAF	endogenous,in-man
O=Nc1c(O)[nH]c2ccc(Cl)c(Cl)c12	17287850	JJZRCYWFZHHXAK-UHFFFAOYSA-N	231.038	3.578	0	1	BHAF	
CC(C)CCN1CCC[C@H](c2cccc(O)c2)C1	25982289	LCOOQHLLCYOFMH-HNNXBMFYSA-N	247.382	3.618	0	1	BHAF	
CCCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2	253636407	KUFOCIILMPNBEI-NHYWBVRUSA-N	240.350	3.640	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cncc(Cl)c2[nH]1	586888289	IMUAHDCGIXQGIN-JMCQJSRRSA-N	235.718	3.515	0	1	BHAF	
O=S1(=Nc2ccccc2Cl)CCCCC1	1772609494	OVLAOVWXZWWYPO-UHFFFAOYSA-N	243.759	3.623	0	1	BHAF	
COc1ccc([C@H]2CCc3ccccc3O2)cc1	14589577	FDFZBTNUNQHGFC-MRXNPFEDSA-N	240.302	3.762	0	1	BHAF	biogenic
Cc1ccccc1-c1nc(C)c(-c2cccnc2)[nH]1	27521234	DVAYOJHBOJCMGA-UHFFFAOYSA-N	249.317	3.756	0	1	BHAF	
Cc1ccccc1-c1cccc(CCN(C)C)c1	28821759	HOMNPSYKSQTOHK-UHFFFAOYSA-N	239.362	3.766	0	1	BHAF	in-vivo
COC(=O)C1=C[C@H]2CCCC(C)(C)[C@]23CC[C@H]1C3	86030853	KXVGGKMDZZTNEJ-OZVIIMIRSA-N	248.366	3.712	0	1	BHAF	
CC1=C2C[C@](C)(C(=O)O)C[C@@H]2C[C@@H](C)C12CC2	2356611366	UJGMUYZMHUNIBX-OLUVUFQESA-N	234.339	3.624	0	1	BHAF	
CC[C@@H](C)[C@H]1C[C@@H](Cc2ccccc2)SC1=O	13737347	BGCYZMXAVKUSEX-MRVWCRGKSA-N	248.391	3.924	0	1	BHAF	
CCCN1CCC[C@H](c2cccc(C)c2C)C1	13782150	AORDKZRSVBDZJZ-HNNXBMFYSA-N	231.383	3.893	0	1	BHAF	in-vivo
CC(C)[C@H]1CC[C@@H](C)c2cc(O)c(C=O)cc21	207518364	XBEBUVYOVHQSMU-ZYHUDNBSSA-N	232.323	3.842	0	1	BHAF	
CC1=CCC[C@@H](C)[C@@]12CC[C@@H](C(C)(C)O)C2	1559988	ICWHTQRTTHCUHW-UMVBOHGHSA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
CC(C)=CCC[C@H](O)[C@H]1CC=C(C)CC1	2356710503	GRWNCQTXRVSTRT-KBPBESRZSA-N	208.345	3.840	0	1	BHAF	
C[C]1C=CN(Cc2cc(C)cc(C)c2)C=C1	2356829790	JZLJOWSYBZDUPT-UHFFFAOYSA-N	212.316	3.741	0	1	BHAF	
CCc1c(-c2ccccc2)c2ccccc2[nH]c1=O	28824667	HBGJLOGXBUITLP-UHFFFAOYSA-N	249.313	3.758	0	1	BHAF	
CC(C)CCN(C)CCc1c[nH]c2ccccc12	71333227	CLHVULXTJJXXND-UHFFFAOYSA-N	244.382	3.688	0	1	BHAF	
CC/C(C)=C(/N)c1c(C)[nH]c2cccc(F)c12	587635853	ONMTVWQPGCTJGL-RIYZIHGNSA-N	232.302	3.715	0	1	BHAF	
C[C@@H]1CC=C2C(C)(C)CCC[C@]2(C)[C@]1(C)O	2356330115	GKVOSYCVNKHQSI-BYCMXARLSA-N	222.372	3.920	0	1	BHAF	
CCCN(CCC)[C@H]1CCc2c(F)cccc2C1	13759322	WFENTJXFRAVXHY-AWEZNQCLSA-N	249.373	3.805	0	1	BHAF	
Nc1ccc(Cl)cc1[C@H](N=O)c1ccccc1	230604348	MUEZWNWWQORDQS-CYBMUJFWSA-N	246.697	3.778	0	1	BHAF	
CC[C@@H](C)c1nc2cc(OC)c(Cl)cc2[nH]1	587955692	KTDKMGSOSKAAJJ-SSDOTTSWSA-N	238.718	3.738	0	1	BHAF	
CC[C@H](C)Nc1nc(C)nc2sc(C)cc12	224157	FZWTVQIBVUZVED-ZETCQYMHSA-N	235.356	3.519	0	1	BHAF	
Nc1c2c(nc3cccc(Cl)c13)CCCCC2	13864105	KAAAIHLOSOSBCH-UHFFFAOYSA-N	246.741	3.739	0	1	BHAF	
C(=C1\COc2ccccc2C1)\c1ccccc1	43076106	BYLACDDMFKMEOP-UVTDQMKNSA-N	222.287	3.705	0	1	BHAF	
CCCC(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	2356764651	ZJAJBNKKRUUSMK-UHIISALHSA-N	208.345	3.818	0	1	BHAF	
CC(C)C1=C2CC[C@H](C)[C@@H]2CC(C)(C)[C@@H]1O	13379048	PFXZOGZHLWZMDT-VHRBIJSZSA-N	222.372	3.776	0	1	BHAF	biogenic
Cc1coc2c1[C@@H](O)[C@@]1(C)[C@@H](C)CCC[C@H]1C2	15220880	ANKFPIBCTISOBX-AZHAFVHUSA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
C[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C	28645657	BXPVRUBHRVECPL-UNVMTRKTSA-N	236.399	3.856	0	1	BHAF	
CCCCC1=Nc2c(OC)cccc2C(=O)C1	101412742	IOVRNYDVGMGXEQ-UHFFFAOYSA-N	231.295	3.544	0	1	BHAF	
CC1=CCC[C@@H](C)C(=O)Cc2c(C)coc2C1	2356379578	ZLESWHXADLWJPV-LLVKDONJSA-N	232.323	3.618	0	1	BHAF	
C[C@@H]1CC[C@@]2(C)[C@H](C)/C(=C\CO)CC[C@@]12C	34504874	RMIRDGFNJKHARM-YZDORDQZSA-N	222.372	3.778	0	1	BHAF	
CC1=C[C@](C)(CO)[C@@]23CCC[C@@]12[C@@H](C)CC3	59778963	PKIVAOLKVPUUIW-PMOUVXMZSA-N	220.356	3.532	0	1	BHAF	
CCCCCC(=O)n1c(=S)[nH]c2ccccc21	72116422	RDNIBHFUKRAUPS-UHFFFAOYSA-N	248.351	3.919	0	1	BHAF	
Cc1cccnc1-c1cc2c3c(cccc3n1)CC2	587211375	DHYHOABNQNJINI-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
CC1=C[C@H]2[C@H](CC1)C(C)(C)CC[C@H]2[C@@H](C)O	2356443929	DMVUUDMWVRKRFV-RQJABVFESA-N	222.372	3.776	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12	2356666450	YJHVMPKSUPGGPZ-QVHKTLOISA-N	224.388	4.000	0	1	BHAF	
CC1=CC[C@@]2(C[C@H]1O)[C@@H](C)CC[C@H]2C(C)C	13307519	WBVRKDUUNZBZET-BYNSBNAKSA-N	222.372	3.776	0	1	BHAF	
Nc1ncc(-c2ccc(Cl)cc2)n1C1CCC1	66103476	XHJUUQREPDNGBD-UHFFFAOYSA-N	247.729	3.511	0	1	BHAF	
CCC/C=C/C=C/C=C\C(=O)NCCC(C)C	238738510	SCPZCRFWGBTKEW-ZUGARUELSA-N	235.371	3.617	0	1	BHAF	
CCCCc1c(C)nc2cccc3c2c1CC3	587213573	KJEHWOQWDBVDLM-UHFFFAOYSA-N	225.335	3.984	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)C[C@H]1O	2356340718	WEDRSLQTRJEVCH-VHDGCEQUSA-N	220.356	3.696	0	1	BHAF	
CCO[P@]1(=O)C=C(C)C(Cl)=C(C)C1	1630766	JGIMOEHVVMWQGZ-CYBMUJFWSA-N	220.636	3.731	0	1	BHAF	
CC1=C2C=C(C(C)(C)O)CC[C@H](C)[C@@H]2CC1	15264385	CIUNGYCNQVTWPX-GWCFXTLKSA-N	220.356	3.840	0	1	BHAF	biogenic
c1ccc2c(c1)[C@H]1CCCN(CC3CC3)[C@@H]2C1	27523872	MWUBKKYEPJHFGH-XJKSGUPXSA-N	227.351	3.721	0	1	BHAF	
Cc1ccccc1O[C@@]12CCC[C@@H](CC(=O)C1)C2	29411194	JDAUYCQTBJPOOU-XJKSGUPXSA-N	244.334	3.666	0	1	BHAF	
CCc1ccc2cc([C@@H](C)C(=O)O)ccc2c1	59997631	YZDKUMBJSGZWRL-SNVBAGLBSA-N	228.291	3.590	0	1	BHAF	
c1cncc(CCCc2c[nH]c3ccccc23)c1	72108564	YBFSGMZRHXSPTL-UHFFFAOYSA-N	236.318	3.738	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(C)cc2[nH]1	586890394	OSTBZTSQSCIUIJ-QMTHXVAHSA-N	214.312	3.775	0	1	BHAF	
CC1=CC[C@H](O)C(C)=C[C@@H]2[C@@H](CC1)C2(C)C	2356746923	AMZJPZQKYICVMX-MCIONIFRSA-N	220.356	3.696	0	1	BHAF	
CC1=C[C@H]2[C@@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1	3978566	LHYHMMRYTDARSZ-LXTVHRRPSA-N	222.372	3.776	0	3	BHAF	endogenous,in-man
Cc1ccnc(NC23CC4CC(CC(C4)C2)C3)c1	28223143	YUIAUMBNVMZKQU-UHFFFAOYSA-N	242.366	3.771	0	1	BHAF	
C/C1=C\[C@H]2OC(=O)[C@H](C)[C@@H]2CC/C(C)=C/CC1	238737980	OVDMFKGCVWVONO-ZLBVSEAOSA-N	234.339	3.631	0	1	BHAF	
Fc1ccc2c(/C=C/c3ccncc3)c[nH]c2c1	6369	UJTBWNKRXRHIGU-OWOJBTEDSA-N	238.265	3.872	0	1	BHAF	
CCC[C@@H]1C[C@@H]2CCC[C@@H]3CCC[C@@](C)(O1)N23	14677259	NGQSKKCDMJUAMR-LXTVHRRPSA-N	237.387	3.699	0	1	BHAF	biogenic
Cc1ccc2nc(-c3ccncc3)ccc2c1	95574392	KLLSOLHHMQILEU-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	
c1ccc([C@@H]2c3ccccc3[C@H]3NCCC[C@H]32)cc1	2007746	SZHZTVQTASRAPD-RCCFBDPRSA-N	249.357	3.873	0	1	BHAF	
C[C@@H]1CC[C@]2(O)C1=CC(C)(C)C[C@@H]1C[C@@]12C	14415171	NPYWCGZXPHXONM-FIXIBIHLSA-N	220.356	3.530	0	1	BHAF	biogenic
C[C@]12N[C@H](C[C@H]3CCCC[C@@H]31)[C@@H]1CCCC[C@@H]12	25998003	FHRWBXVLMJUUQU-XMEMRUQMSA-N	233.399	3.733	0	1	BHAF	
CCO/C(O)=C1\Sc2ccccc2N=C1C	103582725	KPLWHFXUICOIAN-QXMHVHEDSA-N	235.308	3.648	0	1	BHAF	
CCCC1(c2nc3cncc(Cl)c3[nH]2)CCC1	586877535	CLVNHRQEWWOFOE-UHFFFAOYSA-N	249.745	3.833	0	1	BHAF	
CC1=CCC(C)(C)CC2=C(C[C@H]2C)C[C@H]1O	2356689974	HKOYGJNJKYCWBP-BXUZGUMPSA-N	220.356	3.840	0	1	BHAF	
CN1[C@]2(C)c3ccccc3[C@]1(C)[C@H]1CCCC[C@@H]12	100659779	IUXYFUGTQWYCGM-QMCVQRASSA-N	241.378	3.882	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1-c1ccccn1	587636881	NPQOEVTXWJAIBR-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
CC(C)CC(=O)C[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356340505	QMKMAMJJMONFFD-NIWJLPMPSA-N	220.356	3.674	0	1	BHAF	
Cc1ccc([C@@H](C)CC[C@@H](O)C(C)C)cc1	2356857210	SHFNOANMFOCKGN-DZGCQCFKSA-N	220.356	3.896	0	1	BHAF	
COc1ccc([C@H]2C[C@@H]2c2ccccc2)cc1	3161117	GLURZDVUJCOVBV-HZPDHXFCSA-N	224.303	3.966	0	1	BHAF	biogenic
CCCCOc1ccc(-c2cc(C)[nH]n2)cc1	13530230	MSHWCOQQFPXUKE-UHFFFAOYSA-N	230.311	3.564	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@H]([C@H]13)[C@]42C	100199761	XBWACJDEQIZTPR-GLHOCLSYSA-N	204.357	3.961	0	1	BHAF	in-vitro
C[C@H]1C(=O)CCC2=CC[C@H]3[C@H](C3(C)C)[C@@]21C	140126624	VTAKEPOARDGNDA-SQWGHXPGSA-N	218.340	3.594	0	1	BHAF	
CN1CC[C@]2(C(C)(C)C)C[C@@H]1Cc1ccccc12	169312797	AIFOYIFTUNZIKU-YOEHRIQHSA-N	243.394	3.621	0	1	BHAF	
Cc1nccc2nc(-c3ccc(Cl)cc3)[nH]c12	587069368	IXQPTIMIINVRAN-UHFFFAOYSA-N	243.697	3.587	0	1	BHAF	
Cc1cnc2cccc3c2c1-c1ccccc1C3=O	587208019	PRWOJPFJVGHMJK-UHFFFAOYSA-N	245.281	3.755	0	1	BHAF	
Cc1c[nH]c(C)c1-c1cc2c3c(cccc3n1)CC2	587212531	SNNJPVTVDGWUSH-UHFFFAOYSA-N	248.329	3.945	0	1	BHAF	
Cc1ccc([C@@H](C)C[C@H](O)CC(C)C)c(O)c1	13377522	BBLXPOXTPCPOJY-QWHCGFSZSA-N	236.355	3.601	0	1	BHAF	biogenic
CCCN(CCC)[C@@H]1C[C@H]1c1ccsc1	13755502	UZGBLHIJMBPRON-QWHCGFSZSA-N	223.385	3.726	0	1	BHAF	
CC(=O)Oc1c(C(C)C)cccc1C(C)C	13779584	UVYYQAXNOURFPH-UHFFFAOYSA-N	220.312	3.859	0	1	BHAF	in-vivo
CCCC[C@@]1(O)C[C@H]2C[C@@H]1[C@@H](C)C2(C)C	17249716	SMRFYWWGKRCKHO-HKUMRIAESA-N	210.361	3.610	0	1	BHAF	
FC(F)(F)c1cccc2nc(CC3CC3)[nH]c12	587958990	JQGCWFAHEUBSOX-UHFFFAOYSA-N	240.228	3.534	0	1	BHAF	
CC(C)[C@H](C=C[C@]1(C)CCCO1)CC[C@H](C)O	2356471757	YOMJFGRYEWDLQO-KKUMJFAQSA-N	240.387	3.545	0	1	BHAF	
C[C@@H]1CCC[C@](C)(O)C[C@@H]2[C@H](CC1)C2(C)C	2356732840	ACQCKSNSPHLAFM-COMQUAJESA-N	224.388	4.000	0	1	BHAF	
CC=C(C)C=CC=C[C@@H]1[C@@H]2C[C@@H]2[C@H]2CCCCN12	2356856120	RXGCHRLOGKSOBG-YYIAUSFCSA-N	243.394	3.938	0	1	BHAF	
C[C]1C=CC(C)=CN1Cc1cccc(C)c1	2356868005	JJHLAZSLLCJDCU-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CN[C@]12CCCC[C@H]1C[C@@H](C)c1ccccc12	13831982	LATMEMFFKNJSDV-DVOMOZLQSA-N	229.367	3.799	0	1	BHAF	
C=C1CCC[C@]2(C)CC[C@H]([C@H](C)C(=O)O)C[C@@H]12	15206741	QXRKIZKJLNNMNC-PWNZVWSESA-N	236.355	3.870	0	1	BHAF	biogenic
CC1=C2CC[C@](C)(O)[C@@H]2[C@H]2[C@H](CC1)C2(C)C	257418313	FPRYGNYXOFHMLF-XPCVCDNBSA-N	220.356	3.530	0	1	BHAF	endogenous,in-man
CC1=CC[C@H](C(C)C)[C@@H]2C=C(C)[C@H](O)C[C@H]12	2356510412	XYCKDFDUKUYASB-APIJFGDWSA-N	220.356	3.552	0	1	BHAF	
COc1cc2c(cc1C)[C@@H](C(C)C)[C@H](O)C[C@@H]2C	13381444	SGRUYFUVJPWQIO-DRZCJDIDSA-N	248.366	3.611	0	1	BHAF	
Cc1cccc(Cc2nc3ccccc3[nH]2)c1C	27999353	MYWFXZFJGXDAFG-UHFFFAOYSA-N	236.318	3.771	0	1	BHAF	
Cc1cncc2[nH]c(-c3ccc(Cl)cc3)nc12	587068533	CEUWIJDKORKQLN-UHFFFAOYSA-N	243.697	3.587	0	1	BHAF	
CC/C(C)=C(/N)c1c(C)[nH]c2cc(F)ccc12	587636335	WVJGHPCXVSCTBT-RIYZIHGNSA-N	232.302	3.715	0	1	BHAF	
CC[C@@H](C)[C@@H]1C[C@@H](Cc2ccccc2)SC1=O	13737345	BGCYZMXAVKUSEX-BNOWGMLFSA-N	248.391	3.924	0	1	BHAF	
O=C(Nc1ccccc1)[C@@H]1[C@H]2/C=C/CCCC[C@@H]12	136527669	QAUWUDWLPNVUBH-HPSGVNBSSA-N	241.334	3.618	0	1	BHAF	
CO/C=C(\C)c1nc2cccc3c2c(c1C)CC3	587214115	MBWIRBIOGAMGGT-MDZDMXLPSA-N	239.318	3.649	0	1	BHAF	
C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1ccsc1)C2(C)C	1857630837	JWQCZEPLPRHCOH-RUZUBIRVSA-N	249.423	3.908	0	1	BHAF	
CCC=CC=CC=CC=CCCCCO	2356400529	BLTWGWDMUNKAIK-UHFFFAOYSA-N	206.329	3.784	0	1	BHAF	
CCn1c2cc(OC)ccc2c2ccnc(C)c21	5847941	IPKUPGYEVPMEEL-UHFFFAOYSA-N	240.306	3.526	0	1	BHAF	in-vitro
C[C@@H]1CC[C@@H]2[C@H](C)CC=C(c3ccoc3)N2C1	13436098	GDNQZNOOISYXJU-YRGRVCCFSA-N	231.339	3.761	0	1	BHAF	biogenic
Cc1ccc(-c2cc3ccccc3c(=O)[nH]2)cc1	27524254	GNXMJRCVKBVQMQ-UHFFFAOYSA-N	235.286	3.504	0	1	BHAF	
CC1(C)O[C@@]23C=CCC[C@@]2(C)CC[C@@H]1C3	33952854	IEZDOTGOEOFYHV-KWCYVHTRSA-N	206.329	3.690	0	1	BHAF	
CC(C)=CCC[C@]1(C)[C@H]2CC[C@H](C2)[C@]1(C)O	34181715	BMYYECWIIFVCQD-YJNKXOJESA-N	222.372	3.920	0	1	BHAF	
CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2C(=O)C[C@H]3C	39205530	ORWURSUFHQIHMR-MPXAEWJHSA-N	218.340	3.594	0	1	BHAF	
C[C@H]1CCC[C@@H]2CCC(C(C)(C)O)=C[C@]12C	148004422	XEXRDVPNNGVFNR-YWPYICTPSA-N	222.372	3.920	0	1	BHAF	
c1ccc(CCC[N@]2C[C@H]2c2ccccc2)cc1	1857768970	HJBJXGBICCNTOP-ZWKOTPCHSA-N	237.346	3.676	0	1	BHAF	
Cc1coc2c1C[C@]1(C)[C@@H](C)CC=C[C@H]1C2=O	2356402636	MPBGARPFVGIPSH-ITDIGPHOSA-N	230.307	3.545	0	1	BHAF	
CC1=C[C@@H]2[C@H](C)CC[C@H]2[C@@](O)(C(C)C)CC1	2356435383	XMPXBOBVAYYYMD-TUVASFSCSA-N	222.372	3.776	0	1	BHAF	
O=C(Nc1ccccc1)[C@H]1[C@@H]2/C=C/CCCC[C@@H]21	33315438	QAUWUDWLPNVUBH-DTNWRDQHSA-N	241.334	3.618	0	1	BHAF	
CC(C)COc1nccc2c1[nH]c1ccccc12	40980843	ZXOXPROSQXCVTP-UHFFFAOYSA-N	240.306	3.751	0	1	BHAF	
Clc1cccc(C2=NO[C@@H]3CCCC[C@@H]23)c1	95573813	NSICCINQXFMPHF-VXGBXAGGSA-N	235.714	3.633	0	1	BHAF	
O=NC=C1C=CN(CCCc2ccccc2)C=C1	197959816	PZJUSBVHZYSRSE-UHFFFAOYSA-N	240.306	3.613	0	1	BHAF	
CSC(=S)/C=C(\O)c1ccccc1Cl	1911574717	TXLJCSRPTPMVJG-TWGQIWQCSA-N	244.768	3.929	0	1	BHAF	
C[C@H]1[C@H](C)CC=C2C[C@H](CO)C(C)(C)[C@]21C	2356565683	IEYRHRAWZNLSQL-OICBVUGWSA-N	222.372	3.633	0	1	BHAF	
CC[C@H]1C(c2ccccc2)=CC[C@H](C(=O)O)[C@@H]1C	11680152	CLMFEXDZPBGYQQ-BNOWGMLFSA-N	244.334	3.837	0	1	BHAF	in-man
CCCN(CCC)C[C@H]1C[C@@H]1c1ccccc1O	27410213	DXKCTJPTMVWVMM-HIFRSBDPSA-N	247.382	3.618	0	1	BHAF	
CC1(C)CC(=S)Nc2ccc(Cl)cc21	96908692	ZKLGDMFRZUIBNW-UHFFFAOYSA-N	225.744	3.761	0	1	BHAF	
CC1=C2C/C=C(\C)CC/C=C(\C)[C@@H](C2)OC1=O	238743100	WQSQTKXRQDVOIO-SKJLMIICSA-N	232.323	3.695	0	1	BHAF	
C[C@@]12CCC[C@]34CCC[C@H](C=C[C@@H]1CC3)N42	238753237	YXWOUJYNFPKTLH-KBUPBQIOSA-N	217.356	3.502	0	1	BHAF	
CC1=Cc2c(C)coc2C(=O)[C@]12CCC[C@@H]2C	238784976	IZGYUJRBTLSOFP-BONVTDFDSA-N	230.307	3.994	0	1	BHAF	
CC(C)[C@H]1CC[C@@H](C)C2=CC[C@@](C)(N)C[C@H]21	2356687782	AWCUDJMPDGKNIP-RJZRQDKASA-N	221.388	3.742	0	1	BHAF	
CC1=C2C(C)(C)[C@H](CO)C[C@@]2(C)CC[C@@H]1C	2356770637	CUFZOTYNOCYVBK-ITDIGPHOSA-N	222.372	3.778	0	1	BHAF	
CC(C)[C@H]1COC(c2cccc3ccccc23)=N1	8680150	BOUPXYXHWKSTJU-OAHLLOKOSA-N	239.318	3.641	0	3	BHAF	
CC1=C2C=C(C(C)C)CC[C@](C)(O)[C@@H]2CC1	15264377	NIUNALSTZWFRAY-CABCVRRESA-N	220.356	3.840	0	1	BHAF	biogenic
CC1=C2C[C@@H](/C=C(\C)C(=O)O)C[C@H](C)[C@@H]2CC1	70454998	KEXOELSKKSEHAC-GQRGDYHCSA-N	234.339	3.790	0	1	BHAF	biogenic,in-vitro
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@]2(O)CC1	2356610011	RLQQLZPOMNLHJN-NWANDNLSSA-N	220.356	3.840	0	1	BHAF	
COc1ccc(-c2ccc(C(C)=O)cc2C)cc1	29123535	XROGSYCGGGACBR-UHFFFAOYSA-N	240.302	3.873	0	1	BHAF	
O=NC1=C(c2c(O)[nH]c3ccccc23)CCCC1	101470867	ADCVCIBUBAEFRO-UHFFFAOYSA-N	242.278	3.925	0	1	BHAF	
C[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H]3[C@H](C3(C)C)[C@]12C	2356628113	GYIFZGHOLFRCQN-FFNJBFJXSA-N	236.399	3.856	0	1	BHAF	
Cc1coc2ccc3c(c12)C[C@@H](C)CC3	2356657036	SAZCYHYCQACRRN-VIFPVBQESA-N	200.281	3.866	0	1	BHAF	
CCc1c2c(nc3cccc(SC)c13)COC2	7991689	LZYLLHKGWPVABF-UHFFFAOYSA-N	245.347	3.549	0	1	BHAF	
CC(C)CC(=O)CCCCCCCCC(=O)O	33822326	GPDNBRNVGBBFDP-UHFFFAOYSA-N	242.359	3.807	0	1	BHAF	
C(=C1/CCCc2ccccc21)\c1cccnc1	100059770	GCIGECZMYPPCHH-PTNGSMBKSA-N	221.303	3.959	0	1	BHAF	
CCC/C=C/C=C/CCc1cc(O)cc(O)c1	208705219	OKTHKZQEUMDKTD-YTXTXJHMSA-N	232.323	3.943	0	1	BHAF	
C(/C=C/c1nc2ccccc2[nH]1)=C\c1ccncc1	1857607696	DTZZPSBYSDQXEZ-LZSLGQGWSA-N	247.301	3.685	0	1	BHAF	
COC(=O)[C@@H]1C[C@@H](c2ccccc2)[C@H](C)C1(C)C	36386596	GJIKMPIOHAWERW-YUTCNCBUSA-N	246.350	3.625	0	3	BHAF	
CCN1CCCC[C@@H]1C1C2CC3CC(C2)CC1C3	3654575	XLAGMECHVFKECM-OBYDGYHJSA-N	247.426	3.933	0	1	BHAF	
CCCC[C@H](CC)C(=O)CC(=O)CCC	15204806	TYMWSTNXNVORLP-NSHDSACASA-N	212.333	3.531	0	1	BHAF	
CO/C(O)=C1/Sc2cc(C)ccc2N=C1C	102763439	KWMCYWDRIYQRSU-VAWYXSNFSA-N	235.308	3.567	0	1	BHAF	
CC(C)[C@@H]1Cc2nc3cccc4c3c(c2C1)CC4	587215180	ISYVUANOHYGDSP-LBPRGKRZSA-N	237.346	3.704	0	1	BHAF	
CC(C)[C@H]1CC[C@@H](C)C2=CC=C(C(=O)O)[C@@H]2C1	2356450111	IHNAAHBUSNYLDV-UHIISALHSA-N	234.339	3.646	0	1	BHAF	
C[C@@H](C(=O)O)c1ccc2c(c1)[nH]c1ccccc12	13890426	HSJIVJPREZQHFK-SECBINFHSA-N	239.274	3.509	0	1	BHAF	
Cc1cn(-c2ccccc2)c(-c2ccccc2)n1	28475413	VUCKNACICSUGPI-UHFFFAOYSA-N	234.302	3.848	0	1	BHAF	
CC1=C2CCC(C(=O)O)=C[C@H]2[C@@H](C(C)C)CC1	31159331	DXZHOOZGLCRBGL-OCCSQVGLSA-N	234.339	3.790	0	1	BHAF	
CC1=C[C@H]2[C@@H](C(C)C)CC[C@@H](C)[C@]2(O)CC1	231195998	COGPRPSWSKLKTF-APIJFGDWSA-N	222.372	3.776	0	1	BHAF	
CC(C)(C)c1ccc2cc(F)cc(F)c2n1	95605685	JDBKDCHAMKQJHA-UHFFFAOYSA-N	221.250	3.811	0	3	BHAF	
CC1=CC[C@@H](C(C)C)[C@@H]2C[C@](C)(O)CC[C@@H]12	12153102	ISOIDIYKQYJGMC-ZQDZILKHSA-N	222.372	3.776	0	1	BHAF	
COc1cc(/C=C/c2cccs2)cc(OC)c1	13471769	URRYDXXEGGXDQJ-AATRIKPKSA-N	246.331	3.936	0	1	BHAF	in-vivo
Cc1ccc(C)c2[nH]c(C3=CCCC3)nc12	586882918	CYKNOWWCXGQBIK-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
Fc1ccc2c(S)c(C(F)(F)F)[nH]c2c1	587633569	GTKTTWSMHFIKHQ-UHFFFAOYSA-N	235.205	3.615	0	1	BHAF	
CC1=CCCC(CO)=C[C@H]2[C@H](CC1)C2(C)C	2356689329	FWWVEVHJDLNKDJ-KBPBESRZSA-N	220.356	3.698	0	1	BHAF	
C[C@@H]1CC[C@]2(O)C1=CC(C)(C)C[C@H]1C[C@@]12C	13308846	NPYWCGZXPHXONM-PKIAMQTDSA-N	220.356	3.530	0	1	BHAF	biogenic
CC1(C)CCC[C@@]2(C)CCC(=O)[C@@H]3C[C@]312	59778974	OZVBAFBRWKCCHV-BPNCWPANSA-N	206.329	3.572	0	1	BHAF	
Cc1ccccc1-c1ccccc1[C@@H]1CCNC1	96175942	YQNOOZMWLPLZPJ-CQSZACIVSA-N	237.346	3.739	0	1	BHAF	
C/C(=C/C=C/C(C)C)[C@H]1CC[C@](C)(NC=O)CC1	238745576	UTOXGRXZEVOUFE-IIFZKQRESA-N	249.398	3.840	0	1	BHAF	
C/C(C(=O)O)=C1/CCC2=CCC[C@@H](C)[C@]2(C)C1	238770752	VNECIGJTOXTUTM-LCQUZILDSA-N	234.339	3.934	0	1	BHAF	
NC12C[C@H]3CC(Cl)(C[C@@H](C1)c1ccccc13)C2	299838691	QUGJBHIJTFQMNA-MPLXBHQASA-N	247.769	3.520	0	1	BHAF	
[C-]#[N+]c1ccc(/C=C/c2ccncc2)cc1	473117754	ZYDVDAJVXZSOMW-NSCUHMNNSA-N	206.248	3.803	0	1	BHAF	
COc1ccccc1-c1nc2ccc(C)cc2o1	1659654	OPGQRMYQBSPFMU-UHFFFAOYSA-N	239.274	3.812	0	1	BHAF	
C=C(C)[C@@H]1CC[C@]2(C)CC(=O)[C@H](C)CC[C@H]12	13432062	YIYTUCKPVQWDEN-QVHKTLOISA-N	220.356	3.984	0	1	BHAF	biogenic
COc1ccc(/C=C/c2cccc(O)c2)cc1	28712379	PGUWMMWBXKRYFT-AATRIKPKSA-N	226.275	3.571	0	1	BHAF	
Cc1cc(/C=C/c2cccnc2)cc(C)c1O	29549991	OXVGPNSHQAHDRW-AATRIKPKSA-N	225.291	3.574	0	1	BHAF	
COc1ccc([C@H]2C=Cc3ccccc3O2)cc1	34606783	JXHYOOKEUGHIAH-MRXNPFEDSA-N	238.286	3.842	0	1	BHAF	
C[C@@]12N[C@H](C[C@H]3CCCC[C@H]31)[C@H]1CCCC[C@@H]12	100659794	FHRWBXVLMJUUQU-ZTYXSZCMSA-N	233.399	3.733	0	1	BHAF	
C/C(N=O)=C1/C=CC=CN1Cc1ccccc1	137264187	UPOPXHUSXNMFSM-WYMLVPIESA-N	226.279	3.570	0	1	BHAF	
C[C@@H]1CCCCCC/C=C\CCC(=O)OC1	238747212	XFZGLIZDKYUJAG-SCXUMTSISA-N	224.344	3.856	0	1	BHAF	
Fc1c(Cl)cc2nc(C3CCC3)[nH]c2c1F	586884154	KXHWKVZKXKABHU-UHFFFAOYSA-N	242.656	3.762	0	1	BHAF	
c1ccc(Cc2cc3c4c(cccc4n2)CC3)cc1	587214116	OUIWTDGFIHQUEZ-UHFFFAOYSA-N	245.325	3.924	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2ccc(F)cc2[nH]1	587968279	YLBCJNOXIJZFJA-MWLCHTKSSA-N	230.286	3.772	0	1	BHAF	
CC1=C2C[C@H](C)CC[C@H]2[C@@H](C(C)(C)O)CC1	2356672089	WKWATASPNZWAFM-QKCSRTOESA-N	222.372	3.920	0	1	BHAF	
CC1=CCCC(CO)=C[C@@H]2[C@H](CC1)C2(C)C	2356689331	FWWVEVHJDLNKDJ-UONOGXRCSA-N	220.356	3.698	0	1	BHAF	
CCCOCCC1=CC[C@H]2C[C@H]1C2(C)C	101138138	WTSLBPFZKIMMLD-QWHCGFSZSA-N	208.345	3.796	0	1	BHAF	
CSCC(C)(C)c1nc2cccc(C)c2[nH]1	586968593	GFYWKOGAGYHNRG-UHFFFAOYSA-N	234.368	3.512	0	1	BHAF	
CC1=C[C@H]2C(=C(C)C)[C@H]3C[C@@H](C)[C@H]2[C@@H](C1)O3	2356570408	HWBVMESCZGIWFV-WPLOAARJSA-N	218.340	3.712	0	1	BHAF	
CC1=CCCC(=O)[C@H]2CC(C)(C)[C@@H]2CC1	3171716	MBZBBVTYLUNZPJ-NWDGAFQWSA-N	206.329	3.738	0	1	BHAF	biogenic
C[C@@H]1CCC[C@@]2(C)CC=C(C(C)(C)O)C=C12	15207158	SCFWEZZRBBRNAV-ABAIWWIYSA-N	220.356	3.840	0	1	BHAF	biogenic
CCc1c(C)[nH]c2ccc(N(C)C)c(Cl)c12	26484209	IKUWRNYQMGTZFL-UHFFFAOYSA-N	236.746	3.758	0	1	BHAF	
C[C@@H]1CCC2=C[C@H](CO)C(C)(C)[C@]2(C)[C@@H]1C	2356391835	FHNGRPUUPUOBAK-NLRBGTRBSA-N	222.372	3.633	0	1	BHAF	
Cc1coc2c1C[C@]1(C)[C@H](C)CC=C[C@H]1C2=O	2356402635	MPBGARPFVGIPSH-IFUGULHKSA-N	230.307	3.545	0	1	BHAF	
CC1=C[C@H]2[C@H](CC[C@H]2C)[C@](O)(C(C)C)CC1	2356435381	XMPXBOBVAYYYMD-APIJFGDWSA-N	222.372	3.776	0	1	BHAF	
C[C@H]1[C@H]2C(=CCC[C@H]2C)CC[C@@H]1C(C)(C)O	2356463374	YEDSHUOBTRDKLW-RFHZTLPTSA-N	222.372	3.776	0	1	BHAF	
Cc1ccc(SCC(=O)C(F)(F)F)c(C)c1	13859419	KSYQVQGYIPTDQV-UHFFFAOYSA-N	248.269	3.527	0	1	BHAF	
CN(C)[C@H]1CC[C@@H](c2c[nH]c3cc(F)ccc23)C1	38436761	CGGMFFCJZMGDBV-PWSUYJOCSA-N	246.329	3.505	0	1	BHAF	
CN1CC[C@@]2(C(C)(C)C)C[C@H]1Cc1ccccc12	100804257	AIFOYIFTUNZIKU-RHSMWYFYSA-N	243.394	3.621	0	1	BHAF	
COC(=O)/C(C)=C/CC[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C	238781053	CAMIEFGQPJUXLQ-FGDVNQQNSA-N	248.366	3.568	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1N1CCC[C@H](C)C1	587636784	IOGAMJOTJDSXJL-JTQLQIEISA-N	246.329	3.852	0	1	BHAF	
CC[C@H](C)c1nc2ccc3nc(C)ccc3c2[nH]1	587956534	SHOISWNERBWOKF-VIFPVBQESA-N	239.322	3.933	0	1	BHAF	
Fc1cc(Cl)cc2nc(C=C3CCC3)[nH]c12	587964924	JPPOGPKEDUDRPW-UHFFFAOYSA-N	236.677	3.923	0	1	BHAF	
CC=C(C)C(=O)Oc1cc(C)ccc1C(C)C	2356405479	UUEIVUJSJLKAAM-UHFFFAOYSA-N	232.323	3.990	0	1	BHAF	
CC(=CCC[C@]1(C)[C@@H]2C[C@@H]1CC=C2C)CO	2356420652	JGINTSAQGRHGMG-ZNMIVQPWSA-N	220.356	3.698	0	1	BHAF	
CCN1CCCC[C@H]1C1C2CC3CC(C2)CC1C3	3654572	XLAGMECHVFKECM-IKXAHOJESA-N	247.426	3.933	0	1	BHAF	
N[C@H]1C[C@@H]2CCCC[C@H]2C[C@H]1c1ccccc1	169344336	WLYIQVUZQRWOSU-VGWMRTNUSA-N	229.367	3.698	0	1	BHAF	
CSCC(C)(C)c1nc2ccc(C)c(C)c2[nH]1	586969722	WOSQWHFJPGTPRQ-UHFFFAOYSA-N	248.395	3.820	0	1	BHAF	
C=C1C=C[C@H]([C@H](C)CCC=C(C)C)C[C@H]1O	14859926	UNSGLJWOHGSVLW-VHDGCEQUSA-N	220.356	3.862	0	1	BHAF	biogenic
CC1=C[C@@H]2C(=C(C)C[C@H](O)[C@@H]2C(C)C)CC1	14917981	VAVHKURKIQXFJX-QLFBSQMISA-N	220.356	3.696	0	1	BHAF	biogenic
C(=C1/CCc2ccccc21)\c1cccnc1	100059789	WDSJJUYCBHIJRT-UVTDQMKNSA-N	207.276	3.568	0	1	BHAF	in-vivo
COc1ccc2c(c1)[nH]c1cc(C)c(OC)cc12	238732474	ACRMHFHDSLTUKT-UHFFFAOYSA-N	241.290	3.647	0	1	BHAF	
C[C@@H]1C(=O)[C@]2(C)CCC[C@@]23[C@H](C)CC[C@@]13C	238757643	QPSMCUKAUIKAPQ-MFHWUAJNSA-N	220.356	3.818	0	1	BHAF	
Clc1cccc2c1CN1CCCCCC1=N2	49925389	OMWVNMMKKOBHLD-UHFFFAOYSA-N	234.730	3.760	0	1	BHAF	
Fc1ccc(-c2csc(-c3cnco3)n2)cc1	587922644	GOOPSWBNKSSQFS-UHFFFAOYSA-N	246.266	3.604	0	1	BHAF	
CC1=C2C[C@](C)(C(=O)O)C[C@H]2C[C@@H](C)C12CC2	2356611364	UJGMUYZMHUNIBX-GLXFQSAKSA-N	234.339	3.624	0	1	BHAF	
CC1=C2[C@@H](CC1)[C@@H](C)CC[C@@H]2/C=C(\C)CO	14827122	KIQXKOUFPHTUQS-XYNMTXFFSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
c1coc(CCOc2ccc(CC3CC3)cc2)c1	28528099	SWMYCMWWXJTNMF-UHFFFAOYSA-N	242.318	3.854	0	1	BHAF	
CC1=CC[C@]2(C)[C@H](O)[C@H]1[C@]1(C)CCC[C@]21C	34569601	PKLUCFDICCLDGA-ZQNQSHIBSA-N	220.356	3.530	0	1	BHAF	
C[C@@H]1[C@@H]2C(=O)C[C@H]3[C@@H]2C(C)(C)CCC[C@@]31C	104937121	XROGGPRBZBLTOH-KHTVDDERSA-N	220.356	3.674	0	1	BHAF	
Fc1cccc2c1CC/C2=C\c1cccnc1	13610813	JKDSUQNXZNYUED-FMIVXFBMSA-N	225.266	3.708	0	1	BHAF	in-vivo
C[C@@]12N[C@H](C[C@H]3CCCC[C@@H]31)[C@H]1CCCC[C@@H]12	100659798	FHRWBXVLMJUUQU-FOLNQXHWSA-N	233.399	3.733	0	1	BHAF	
COc1cc2c(cc1C)[C@H](C(C)C)CCC2=O	14724184	NUHLSFVRQWRAGK-NSHDSACASA-N	232.323	3.720	0	1	BHAF	biogenic
C[C@H]1CCCCCCCCCCC(=O)O1	14771724	FXQRCXMLOZUIDC-LBPRGKRZSA-N	212.333	3.833	0	1	BHAF	biogenic
COc1nccnc1CCCCCCC(C)C	26672334	MKYSVLJFSZTHFH-UHFFFAOYSA-N	236.359	3.634	0	1	BHAF	
c1cncc(-c2ccc(N3CCCCC3)cc2)c1	117355442	CBOLTCLGNLMYKK-UHFFFAOYSA-N	238.334	3.739	0	1	BHAF	
COc1ccc([C@@H](C)CCN2CCCCC2)cc1	1772600571	ZOOXVBRSWKQPDT-AWEZNQCLSA-N	247.382	3.675	0	1	BHAF	
CC(C)=CCC[C@@H](O)[C@@H]1CC=C(C)CC1	2356710505	GRWNCQTXRVSTRT-ZIAGYGMSSA-N	208.345	3.840	0	1	BHAF	
CC(C)C(=O)OCC1=CCC(C)(C)C[C@H]1C	14822374	QTBRAZDTZAOKEV-LLVKDONJSA-N	224.344	3.568	0	1	BHAF	biogenic
CC1=C(C)[C@@](C)(c2ccc(CO)cc2)CC1	84705997	ASPJHNACYAXEJK-HNNXBMFYSA-N	216.324	3.567	0	1	BHAF	
c1ccc2oc(-n3cnc4ccccc43)cc2c1	146332464	FGADJQRSGZPZKT-UHFFFAOYSA-N	234.258	3.772	0	1	BHAF	
C[C@H]1CCC=C2CC[C@@H](c3cc3=O)C[C@@]21C	238734598	GKIKMPZURPYPCN-FIXISWKDSA-N	216.324	3.553	0	1	BHAF	
C[C@H]1C=CC2=C[C@H](C)CC[C@@H]2/C1=C\CC(=O)O	238784328	KACFUDDYHBRTGQ-CSAURMFTSA-N	232.323	3.566	0	1	BHAF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3cnccc3[nH]2)C1	587969022	KRGXWEHZNAPPBE-GHMZBOCLSA-N	243.354	3.888	0	1	BHAF	
CC/C=C(C)/C=C(\C)c1cc(=O)c(C)c(OC)o1	34383161	PQFNJZQHCVCCPG-AMMQDNIMSA-N	248.322	3.716	0	1	BHAF	
CC1=C[C@@H]2OC(C)(C)[C@H]3CC[C@H](C)[C@@]23CC1	85666903	JGKMDLIITSKWAD-SFDCQRBFSA-N	220.356	3.936	0	1	BHAF	in-man
Cc1ccc2c(ccc3nc(C4=CCCC4)[nH]c32)n1	586883869	MENKJXVJPDVBNM-UHFFFAOYSA-N	249.317	3.987	0	1	BHAF	
CC(C)[C@@H]1CC(C)(C)C=C2[C@H](C)CC[C@@]21O	2356436711	XDLCURIUCCHLSA-XUJVJEKNSA-N	222.372	3.776	0	1	BHAF	
CCC1=CN(Cc2cccc(C)c2)[CH]C=C1	2356873992	OTWXXJUQFGRZIT-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CC(=O)CC[C@@H]1[C@H]2[C@H]3[C@@H](CC[C@]21C)C3(C)C	95919392	HQLUKVNYXYVGFV-NTASLKFISA-N	220.356	3.674	0	1	BHAF	biogenic,in-vitro
CCc1ccc2nc(C(C)(C)Cl)[nH]c2c1	587007063	AZKGHKSYXXOHTL-UHFFFAOYSA-N	222.719	3.599	0	1	BHAF	
CC1=C[C@@H](CO)C(C)(C)[C@@]12CCCC2(C)C	2356752690	KJYKEAYNZFLDKB-WFASDCNBSA-N	222.372	3.778	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](C)[C@]2(NC=O)CC1	2356794851	LMQMCMBFYYSOGV-CAOSSQGBSA-N	249.398	3.530	0	1	BHAF	
Cc1cccc2cc(C3=CN4CCC3CC4)oc12	13757480	GQAHLUHWIIZPFR-UHFFFAOYSA-N	239.318	3.808	0	1	BHAF	
CC1=CC[C@@H]2C(C(=O)O)=CC[C@H](C(C)C)C[C@@H]12	238750862	DFXLQBQZXVPYFY-SCRDCRAPSA-N	234.339	3.646	0	1	BHAF	
Nc1ccc(-c2cssc2=S)cc1	1864977	UXARPYFFIYEWHB-UHFFFAOYSA-N	225.363	3.788	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@@H]1c1ccc(F)cc1	13755488	GCCTVSRWDHKLKK-HUUCEWRRSA-N	235.346	3.804	0	1	BHAF	
C/C=C(C)\C=C(/C)c1oc(=O)c(C)c(OC)c1C	14658879	IFHBFWLMLSPISM-FKJILZIQSA-N	248.322	3.635	0	1	BHAF	
CN(C)C[C@H]1C[C@@H]1c1cccc2ccccc12	28960235	AEWPIBYOYSOWAL-CJNGLKHVSA-N	225.335	3.505	0	1	BHAF	
C[C@@H]1CC[C@@H]2CC3=C(C(=O)O)CC[C@@]31C2(C)C	34803807	MFODEBYPUFXURM-FCHSOHFDSA-N	234.339	3.624	0	1	BHAF	biogenic,in-vitro
C(/C=C/c1nc2ccccc2o1)=C\c1ccccn1	1857586873	RLZRJZVTLPNXFU-IJJWMGEWSA-N	248.285	3.949	0	1	BHAF	
CC(C)[C@@H]1C=C[C@@](C)(O)CCC=CCC1	2356695441	HLACYKWDKMDHMU-KBPBESRZSA-N	208.345	3.696	0	1	BHAF	
Oc1ccc(-c2ccccc2F)c2cccnc12	36381418	AZMPNDKCBUEXJV-UHFFFAOYSA-N	239.249	3.747	0	3	BHAF	
c1cc(-c2ccncc2)nc(-c2ccsc2)c1	40863775	ADSUTNDRQRFWJK-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
Fc1ccc([C@@H]2CC(c3ccccc3)=NO2)cc1	103179019	NXCJAQVTNGHLRI-HNNXBMFYSA-N	241.265	3.691	0	1	BHAF	
C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C=CC(=O)O	2356620421	RUEMHNNYLHGNMT-XGFWRYKXSA-N	234.339	3.502	0	1	BHAF	
CC(=O)Cc1cc2c(C)cc(C)cc2c(O)c1C	2356791768	IYGIHGYVRFHMCP-UHFFFAOYSA-N	242.318	3.602	0	1	BHAF	
C[C@@H]1CC(=O)CC2=CC[C@H]3[C@H](C3(C)C)[C@@]21C	13372670	NYVDTZCCCWPPPG-MSELDCQNSA-N	218.340	3.594	0	1	BHAF	biogenic,in-vitro
c1ccc([C@@H]2C[C@H](c3ccccc3)CO2)cc1	14723470	DTRWVAWUKAYYNM-HOTGVXAUSA-N	224.303	3.932	0	1	BHAF	biogenic
Cc1c(-c2ccncc2)oc2ccc(O)cc12	40379953	YJKMRKMULWZALS-UHFFFAOYSA-N	225.247	3.509	0	1	BHAF	
N[C@@H]1CCc2c(-c3ccccc3)[nH]c3cccc1c23	3961299	ZBMKGCGCHYGZOH-CQSZACIVSA-N	248.329	3.781	0	1	BHAF	
C[C@H]1CCC2=C(C(C)(C)O)CC(C)(C)C[C@H]21	13379050	AXUFTLZFRGHJAV-JQWIXIFHSA-N	222.372	3.920	0	1	BHAF	biogenic
CC/C=C(C)/C=C(/C)c1cc(OC)c(C)c(=O)o1	15119984	YYOBOZLWPYZHOQ-WAKDDQPJSA-N	248.322	3.716	0	1	BHAF	
C/C=C/c1ccc(O)c(-c2cc(O)ccc2O)c1	33833489	URTHKYTYKNFMMZ-NSCUHMNNSA-N	242.274	3.504	0	1	BHAF	biogenic,in-vitro
Cc1nccc2c3ccccc3n(CC3CC3)c12	473124143	NDCGMDTZEVVASP-UHFFFAOYSA-N	236.318	3.908	0	1	BHAF	
C[C@@H]1CC=CC2=CC[C@@H](C(C)(C)O)C[C@]21C	15200554	WINATCPPCIWJCQ-KYOSRNDESA-N	220.356	3.696	0	1	BHAF	biogenic,in-vitro
Cc1onc([C@@H]2CCCO2)c1-c1ccccc1	96909039	OKEGSNSUTGIFHV-LBPRGKRZSA-N	229.279	3.502	0	1	BHAF	
CCCC[C@]1(O)C[C@H]2C[C@H]1[C@@H](C)C2(C)C	263607881	SMRFYWWGKRCKHO-NMKXLXIOSA-N	210.361	3.610	0	1	BHAF	
CCC[C@@H](c1nc2ccc(CO)cc2[nH]1)C(C)C	587956528	SGNQGMDAKWEABG-GFCCVEGCSA-N	246.354	3.595	0	1	BHAF	
CCCC/C=C/c1nc2ccccc2[nH]1	587965281	JCTAFUFSWVYBKH-BJMVGYQFSA-N	200.285	3.766	0	1	BHAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCCC[C@@H]2C1	2356583144	LFQGNVKBZIFOGJ-YRGRVCCFSA-N	210.361	3.754	0	1	BHAF	
C[C@H]1N[C@@H](C2CC2)C[C@@H]1c1ccc(Cl)cc1	4214148	PZJBWSQQDMRZHY-BIGNPOOSSA-N	235.758	3.584	0	1	BHAF	in-man
CC(C)C(=O)[C@H]1CCC2=CCC[C@H](C)[C@]21C	14923123	DVAATBRDCVSPRO-NJZAAPMLSA-N	220.356	3.984	0	1	BHAF	biogenic,in-vitro
CC[C@H](C)CCCCC[C@@H](C)C(=O)O	15119682	IDEAYCCGKZRXTP-WDEREUQCSA-N	200.322	3.704	0	1	BHAF	biogenic
COC(=O)[C@]12CC[C@H](C)[C@]13CCC[C@]3(C)C=C2C	85944245	TVCZZGHOJYZDQA-SRMUXQRQSA-N	248.366	3.712	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]1CC[C@](C)(O)[C@H]1CC[C@]21C	169654782	CPLGPDHGFNXBOA-JVSQWTDWSA-N	222.372	3.610	0	1	BHAF	
CC1=C2C[C@@H](CO)C(C)(C)[C@@H]2C(C)(C)CC1	2356375164	TWBBKSVRWRNTPJ-AAEUAGOBSA-N	222.372	3.778	0	1	BHAF	
CC[C@H](C)C[C@@H](C)C=C(C)C=CC(=O)O	2356720026	OILLDIIQDQVGSY-CMPLNLGQSA-N	210.317	3.646	0	1	BHAF	
CCCN1CCC[C@@H](c2cccc(SC)c2)C1	6380241	DQQBAKJEWKQXPD-CQSZACIVSA-N	249.423	3.998	0	1	BHAF	
CCCCOc1ccc(-c2ccns2)cc1	13530195	XIJNLZJHRREJKI-UHFFFAOYSA-N	233.336	3.989	0	1	BHAF	
Clc1cccc2nc(C=C3CCC3)[nH]c12	587965739	WDIVKSJSLJRYRQ-UHFFFAOYSA-N	218.687	3.784	0	1	BHAF	
C[C@@H]1CC[C@@H]2C[C@]3(C)C[C@H]3C(C)(C)C[C@]12O	2356478519	HJRGEXWNMQQNJV-AMVBZWJASA-N	222.372	3.610	0	1	BHAF	
CC(C)=CCCN(C)[C@@H]1CC=C(C)CC1	12504074	GGPFTSMJRHEOJG-CQSZACIVSA-N	207.361	3.773	0	1	BHAF	in-vivo
CC1=C[C@H]2C(=C(C(=O)O)CC[C@@H]2C(C)C)CC1	13381120	FUXWMRTVDHMJSZ-BXUZGUMPSA-N	234.339	3.790	0	1	BHAF	biogenic
C=C[C@]1(C)CC[C@H](C(C)=O)C[C@H]1C(=C)C	14614801	MQPOZMPCFISHSA-MELADBBJSA-N	206.329	3.760	0	1	BHAF	biogenic
c1ccc2c3c(sc2c1)[C@@H]1CCCCN1CC3	27724288	IIJWWDRFLXTECC-ZDUSSCGKSA-N	243.375	3.984	0	1	BHAF	
CC1=CC[C@@H]2[C@H](C1)C(=C(C)C)CC[C@]2(C)N	82047522	VLGSOUCSNXCRMI-KFWWJZLASA-N	219.372	3.807	0	1	BHAF	
Clc1ccc(C2=NO[C@@H]3CCCC[C@H]23)cc1	95576126	ZYHKMKIXWVUVFF-NWDGAFQWSA-N	235.714	3.633	0	1	BHAF	
C[C@@]12N[C@H](Cc3ccccc31)C[C@H]1CCCC[C@@H]12	100659823	DMDUWMGEBWRLLD-TXCZRRACSA-N	241.378	3.626	0	1	BHAF	
CC1=CC[C@H]2C[C@H]1[C@]2(C)CC/C=C(/C)C(=O)O	535384626	CTORLPNPQPAKGI-UUEOHABQSA-N	234.339	3.790	0	1	BHAF	in-vitro
CC1=CC[C@@]23C[C@H]1C(C)(C)[C@@H]2C(=O)C[C@@H]3C	2356444216	ORWURSUFHQIHMR-WJNVRWDZSA-N	218.340	3.594	0	1	BHAF	
C[C]1C=CC(C)=CN1Cc1ccccc1C	2356835815	IVHPSCKVCPQTIE-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
Oc1cccc(-c2ccc3ccc(O)cc3c2)c1	13645006	VEQWNMMVQWDERW-UHFFFAOYSA-N	236.270	3.918	0	1	BHAF	in-vivo
CC1=CC(C)(C)[C@@]23CC[C@@H](C)[C@@]12[C@H](O)CC3	14594555	JAELKEBODQWGTA-DWZYQQQCSA-N	220.356	3.530	0	1	BHAF	biogenic,in-vitro
Cc1ccc(-c2cc(=O)c3ccccc3n2C)cc1	64490525	UZSOZWCPXLJSBF-UHFFFAOYSA-N	249.313	3.514	0	1	BHAF	
CC(C)Cc1nc2ccccc2c2cc[nH]c12	96085851	LEWFRNLLNXKYJJ-UHFFFAOYSA-N	224.307	3.915	0	1	BHAF	
CN1[C@@]2(C)c3ccccc3[C@@]1(C)[C@H]1CCCC[C@@H]12	100659783	IUXYFUGTQWYCGM-HJWJTTGWSA-N	241.378	3.882	0	1	BHAF	
CC1=CC[C@]2([C@@]3(C)CCC(=O)C3(C)C)C[C@@H]12	2356554722	WGRPUSWOQOBTEG-CQDKDKBSSA-N	218.340	3.738	0	1	BHAF	
C[C@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	5004250	YJHVMPKSUPGGPZ-KYEXWDHISA-N	224.388	4.000	0	1	BHAF	
CC1=CCC[C@H](C)[C@@]12CC[C@@](O)(C(C)C)C2	14714069	PDFMGMLJJHVTMM-ZNMIVQPWSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1=CC(=N)C(c2ccccc2)(c2ccccc2)O1	26734492	ZJXAYZBBAIAJFD-UHFFFAOYSA-N	249.313	3.884	0	1	BHAF	
CCCC(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C	100281004	VIPNQHBVIDJXJE-MJVIPROJSA-N	224.344	3.545	0	1	BHAF	in-man
Cc1ccc(C)c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c1	100863037	VMNUJZBAOUTBFJ-MCIONIFRSA-N	243.350	3.678	0	1	BHAF	
CC(C)Oc1ccc2nc(C3CCC3)[nH]c2c1	586883455	CYLGMZAKGSLKEV-UHFFFAOYSA-N	230.311	3.618	0	1	BHAF	
CC(=O)O[C@@H](C)C=C(C)CCC=C(C)C	2356285629	AZPPBYINNXLPQZ-LBPRGKRZSA-N	210.317	3.631	0	1	BHAF	
CC1=C2[C@H](O)C[C@@H](C)[C@@]23CC[C@@H](C3)C1(C)C	2356580663	ZRRTYQUKAJCICD-FQMFCJFBSA-N	220.356	3.530	0	1	BHAF	
CC1(C)CCC[C@@]23C[C@@](C)(CC[C@@H]12)[C@@H]3C=O	14412002	GDTCRHYZPCTDEY-DDHJSBNISA-N	220.356	3.818	0	1	BHAF	biogenic
Clc1ccc(C2=NO[C@H]3CCCC[C@H]23)cc1	95576125	ZYHKMKIXWVUVFF-RYUDHWBXSA-N	235.714	3.633	0	1	BHAF	
c1coc([C@H]2Nc3ccccc3[C@H]3OCC[C@H]23)c1	100837057	ZQRYWYRQXPVNFH-BYCMXARLSA-N	241.290	3.524	0	1	BHAF	
CCC/C=C/C=C/C=C/C(=O)N1C=CCCC1	238783653	MYQLSFPPFMXWEZ-GXQSNXMPSA-N	231.339	3.591	0	1	BHAF	
CC(C)NCc1cccc2[nH]c3ccccc3c12	653773234	FQDRVQDEPDZKCL-UHFFFAOYSA-N	238.334	3.819	0	1	BHAF	
CC1=CC2=C(C(C)C)CC[C@H](C)[C@@H]2[C@H](O)C1	2356460492	XCXXQNHVVCTZPI-GLQYFDAESA-N	220.356	3.696	0	1	BHAF	
CC1=C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H](O)CC1	13311163	ZLJPQFLGGAYZAN-UMVBOHGHSA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
CC1=C[C@]2(O)[C@@H](CC1)C(C)=CC[C@H]2C(C)C	14918064	KIFNZUKQSDESLM-SOUVJXGZSA-N	220.356	3.696	0	1	BHAF	biogenic
Clc1ccc2c(c1)CN(c1ccccc1)CO2	32153873	ANDMOXODDHVMFN-UHFFFAOYSA-N	245.709	3.697	0	1	BHAF	
CN(C)[C@@H]1CC[C@@H](c2c[nH]c3c(F)cccc23)C1	38919175	IZSJBPYSEIJUIT-GHMZBOCLSA-N	246.329	3.505	0	1	BHAF	
CC1=CCC[C@@H]2CC[C@@H](C(C)(C)O)C[C@@H]12	2356485494	IPZIYGAXCZTOMH-UPJWGTAASA-N	208.345	3.530	0	1	BHAF	
Clc1ccccc1-c1ccc2nccn2c1	61895756	VTRQUPXQSLXLKY-UHFFFAOYSA-N	228.682	3.655	0	3	BHAF	
COc1cc(O)ccc1C/C=C/c1ccccc1	14616073	ZAGLUIIUOWEVEN-VMPITWQZSA-N	240.302	3.657	0	1	BHAF	endogenous,in-man
c1cc2c(ncc3onc(C4CCCCC4)c32)[nH]1	88347007	MNRAJFUSWSJXCI-UHFFFAOYSA-N	241.294	3.752	0	1	BHAF	
CC(C)COc1ccc2c(Cl)ccnc2c1	221314132	OMBCXYBJOKVIDX-UHFFFAOYSA-N	235.714	3.923	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cccc(C)c2[nH]1	586886795	DBQWZEVMAGLAOV-IINYFYTJSA-N	214.312	3.775	0	1	BHAF	
c1ccc(CCC[N@@]2C[C@H]2c2ccccc2)cc1	1857768969	HJBJXGBICCNTOP-ROUUACIJSA-N	237.346	3.676	0	1	BHAF	
CC1=CCC[C@]2(C)C[C@@H](CO)C(C)(C)[C@]12C	2356446931	SLMBSGIDLMLPQD-CFVMTHIKSA-N	222.372	3.778	0	1	BHAF	
CC1=CC=C[C@]2(C)Cc3occc3C[C@H]12	2356579939	LLXPXVCHMDEMQA-TZMCWYRMSA-N	200.281	3.517	0	1	BHAF	
CC1=CCC[C@H](C)[C@H](O)[C@H]2[C@@H](CC1)C2(C)C	2356580306	OAQDRZLZSMKKDK-DGAVXFQQSA-N	222.372	3.776	0	1	BHAF	
CC1(C)[C@@H]2CC=C3CCC[C@](C)(O)[C@@]3(C)[C@H]21	2356640589	INNGXJWTLWOYKO-RJZRQDKASA-N	220.356	3.530	0	1	BHAF	
CCCCCC[C@H](C)C[C@H](C)C=CC(N)=O	2356809761	ASWIDATXPVRDFO-QWHCGFSZSA-N	225.376	3.661	0	1	BHAF	
CC(C)C1=CC[C@@]2(C)CCC[C@@](C)(O)C2=C1	15207147	LGUGFZKFDQBVJK-HUUCEWRRSA-N	220.356	3.840	0	1	BHAF	biogenic
Cc1c2n(c3c(C)c(Cl)ccc13)[C@@H](C)NCC2	103277940	XRPHATNTVIIJKG-JTQLQIEISA-N	248.757	3.576	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(C)cc2[nH]1	586890395	OSTBZTSQSCIUIJ-YGRLFVJLSA-N	214.312	3.775	0	1	BHAF	
CCCC(CCC)NC(=O)c1cc(C)c(C)o1	148483285	AQYOYCPSCVPLOW-UHFFFAOYSA-N	237.343	3.595	0	1	BHAF	
Cc1cc2[nH]c(C3(F)CCCCC3)nc2c(C)n1	587131935	GJAIDQNRPYOKFR-UHFFFAOYSA-N	247.317	3.704	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12C[C@](C)(O)C3	238734006	PCROEXHGMUJCDB-OGMFBOKVSA-N	222.372	3.610	0	1	BHAF	
CC1(C)CCC[C@]2(C)O[C@](C)([C@@H]3CO3)CC[C@@H]12	15148750	NGUNELDGRATVRC-JURCDPSOSA-N	238.371	3.539	0	1	BHAF	biogenic
CCCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C	27707991	ZKYYWKSGAWKDCR-SWLSCSKDSA-N	247.382	3.503	0	1	BHAF	
CC(C)=CCC/C(C)=C/Cc1ncc[nH]1	89455657	ILOXEPYJYBNBIU-KPKJPENVSA-N	204.317	3.645	0	1	BHAF	
CC1=C[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H](O)CC1	14416919	ZLJPQFLGGAYZAN-VNHYZAJKSA-N	222.372	3.920	0	1	BHAF	biogenic
Cc1ccc([C@@H](C)CCC(=O)C(C)C)c(O)c1	14444404	NJCAREDQTSPWPA-LBPRGKRZSA-N	234.339	3.809	0	1	BHAF	biogenic,in-vitro
C/C(=C\CN(C)C)c1cccc2ccccc12	28642260	FJCQUALKJAKPEJ-ACCUITESSA-N	225.335	3.805	0	1	BHAF	
C[C@H]1CC(=O)CC2=CC[C@@H]3[C@@H](C3(C)C)[C@@]21C	33832975	NYVDTZCCCWPPPG-BYDSVVRCSA-N	218.340	3.594	0	1	BHAF	biogenic,in-vitro
CC1=C2[C@@H]3[C@H](CC[C@@](C)(O)[C@@H]2CC1)C3(C)C	238741781	OZCCRLYXPIORLS-REJLFOLJSA-N	220.356	3.530	0	1	BHAF	
CC/C=C/c1c(C)cc(C)c2[n+]1C[C@H](C)C=C2	1911575457	KUSMJQIDCYEYKM-NNNHXZLVSA-N	228.359	3.677	0	1	BHAF	
CC1=CCC[C@]2(C)C[C@H](O)C(=C(C)C)C[C@@H]12	2356781589	IXLZPSFSDTUQHG-SOUVJXGZSA-N	220.356	3.840	0	1	BHAF	
C=C[C@]1(C)CC[C@H]([C@@H](C)C(=O)c2cc(C)co2)O1	13456431	DJFSWRNRUGTHCI-LALPHHSUSA-N	248.322	3.531	0	1	BHAF	biogenic
CC[C@@H](C)CCCCCC1=C[C@H](C)OC1=O	14592390	DIGSICVZYKFCTI-NEPJUHHUSA-N	224.344	3.855	0	1	BHAF	biogenic
C[C@@H]1CC=C2C[C@H](CO)C(C)(C)[C@@]2(C)[C@@H]1C	238749834	IEYRHRAWZNLSQL-CVMIBZJCSA-N	222.372	3.633	0	1	BHAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@](C)(O)[C@@H]1C2	257447774	IRDFGGRWKUKANK-ZQDZILKHSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CC[C@H]1CCc2c(nc3cccc4c3c2CC4)C1	587215906	WOCLOEBHORYWFQ-NSHDSACASA-N	237.346	3.848	0	1	BHAF	
CC1=CC[C@]2(C[C@@H]1O)[C@@H](C)CC[C@@H]2C(C)C	14413243	WBVRKDUUNZBZET-XGUBFFRZSA-N	222.372	3.776	0	1	BHAF	biogenic
CS(C)(=N)=Nc1ccc(C(F)(F)F)cc1	1772635588	HMQLHFRTSSQXMZ-UHFFFAOYSA-N	236.262	3.696	0	1	BHAF	
CC=C(C)C(=O)O[C@@H](CC)CCCCC	2356285448	LMBAQNNBRWRROG-LBPRGKRZSA-N	212.333	3.855	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)C[C@H](O)[C@H](C)[C@@H]2CC1	2356672078	VYRPEQZTLXTRND-DHMWGJHJSA-N	220.356	3.696	0	1	BHAF	
CCCC[C@@H]1CCC[C@@]2(CC[C@H](C)O2)O1	13380549	YJXRBYWOYOXYFN-XQQFMLRXSA-N	212.333	3.641	0	1	BHAF	
CCCN(CCC)C[C@H]1C[C@@H]1c1cccc(O)c1	27409407	QNBSKBSCVXNBIF-GDBMZVCRSA-N	247.382	3.618	0	1	BHAF	
Cc1coc2cc3c(c(C)c12)[C@@H](C)CC[C@@H]3O	28973281	ZRWPAGVTPFFNTL-UFBFGSQYSA-N	230.307	3.980	0	1	BHAF	
C[C@H]1CCC[C@@H](C)[C@]12CC[C@@H](C(C)(C)O)C2	101514319	AALAEGJKWSYLOG-QVHKTLOISA-N	224.388	4.000	0	1	BHAF	
CC(CO)=C1CCC2=CCC[C@H](C)[C@@]2(C)C1	2356479829	FXWSXJNUPFBCMQ-SWLSCSKDSA-N	220.356	3.842	0	1	BHAF	
CC1=C2CC[C@H](C)C[C@H]2C(C)(C)C[C@@H](O)C1	14439431	CNORBICYYYYTFY-VHRBIJSZSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1=C[C@H]2C[C@@H](CC[C@@H]2C(C)C)C(=O)CC1	14689940	MGLWWZNRAQRXLJ-HZSPNIEDSA-N	220.356	3.984	0	1	BHAF	biogenic
O=C1S[C@@H](Cc2ccccc2)c2ccccc21	95556379	ZAKRJPYEWRNDJA-AWEZNQCLSA-N	240.327	3.857	0	1	BHAF	
CCN(C)C[C@@H]1C[C@H]1c1cccc2ccccc12	253666904	HPZAIKAZTLALFB-WMLDXEAASA-N	239.362	3.895	0	1	BHAF	
Clc1ccc2c(ccn2Nc2ccncc2)c1	13745930	SDCIJOLMGUGDKZ-UHFFFAOYSA-N	243.697	3.565	0	1	BHAF	
Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12	28377383	FUWUZPRNKPGRGX-UHFFFAOYSA-N	240.258	3.819	0	1	BHAF	in-vivo
CC1=CC[C@@H](C2=CC[C@H](CO)CC2)C1(C)C	64624724	XQIOPWXEFQXMSF-JSGCOSHPSA-N	220.356	3.698	0	1	BHAF	in-vitro
CC1=C2[C@H](/C=C(\C)CO)CC[C@H](C)[C@H]2CC1	142643559	KIQXKOUFPHTUQS-NKCSTSMZSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
O=C(O)CCC[C@@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1	231930475	WWHSTYPFQBWANZ-JMEBGAHHSA-N	248.366	3.560	0	1	BHAF	
CC1=CCCc2c1nc1cccc3c1c2CC3	587216085	YSQDBRBMVRCEPO-UHFFFAOYSA-N	221.303	3.683	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C12)CO	2356381378	KIQXKOUFPHTUQS-FPMFFAJLSA-N	220.356	3.698	0	1	BHAF	
CC(C)C1=C[C@H]2[C@H]3CC[C@@]2(C)O[C@@]3(C)CC1	2356520636	UMCNORHDCWNDKA-CBBWQLFWSA-N	220.356	3.936	0	1	BHAF	
CC1=C[C@H]2OC(C)(C)[C@@H]3CC[C@@H](C)[C@]23CC1	15152708	JGKMDLIITSKWAD-COMQUAJESA-N	220.356	3.936	0	1	BHAF	
CN1[C@@]2(C)c3ccccc3C[C@]1(C)c1ccccc12	27885129	NTYASZOGDPMGGG-MSOLQXFVSA-N	249.357	3.667	0	1	BHAF	
C[C@H]1C[C@]2(C)CC[C@H]3[C@H](C)CC[C@]32[C@@]1(C)O	40863582	PEXFPFKCJPWRDJ-XZBVAUNFSA-N	222.372	3.610	0	1	BHAF	
C/C(=C\C=C\C(C)C)[C@H]1CC[C@](C)(NC=O)CC1	255272153	UTOXGRXZEVOUFE-QACOOCLTSA-N	249.398	3.840	0	1	BHAF	
CCCCCC[C@@H](C)C=C(C)C=CC(N)=O	2356550278	SQTPXUBCYVVRHH-GFCCVEGCSA-N	223.360	3.581	0	1	BHAF	
CC(C)=CCc1c(O)ccc2c1C=C(C)OC2	2356717974	ZMCJACRZITZSCB-UHFFFAOYSA-N	230.307	3.792	0	1	BHAF	
O=C(C/C=C/c1ccccc1)Nc1ccccc1	33844370	PWCRFMFRXLAXLY-JXMROGBWSA-N	237.302	3.729	0	1	BHAF	
CCCN1CCC[C@@H]2C[C@@H]1c1ccccc12	100916088	HCZMILOQFKMCJC-IUODEOHRSA-N	215.340	3.721	0	1	BHAF	
C/C1=C\CCC(=O)[C@H]2CC(C)(C)[C@H]2CC1	3171715	MBZBBVTYLUNZPJ-AMYKANGRSA-N	206.329	3.738	0	1	BHAF	in-vitro
C=C[C@]1(C)CC[C@@H]([C@H](C)C(=O)c2cc(C)co2)O1	13456421	DJFSWRNRUGTHCI-SLEUVZQESA-N	248.322	3.531	0	1	BHAF	biogenic
CC(=O)CCc1cc(CC(C)C)ccc1C	14719634	NTOMHKYRNVDEMJ-UHFFFAOYSA-N	218.340	3.715	0	1	BHAF	biogenic
c1ccc(C2(N3CCCCC3)CCC2)cc1	29216249	JOQRWFDEJVAQKD-UHFFFAOYSA-N	215.340	3.552	0	1	BHAF	
C[C@@H]1C=C2C=C[C@H](C)C(=CCC(=O)O)[C@@H]2CC1	2356424115	KACFUDDYHBRTGQ-COPLHBTASA-N	232.323	3.566	0	1	BHAF	
Cc1cc([C@@]2(C)CC[C@@H](C(C)C)O2)co1	2356473234	YMGVCVXPMGCDBS-QWHCGFSZSA-N	208.301	3.638	0	1	BHAF	
Cc1noc2cccc(OCc3ccccc3)c12	1622631	SVTSHSWFOVTABN-UHFFFAOYSA-N	239.274	3.715	0	1	BHAF	
C/C1=C\CC/C(C)=C/C(=O)OC/C(C)=C/CC1	15214163	NMEKMYDKPCWTTQ-QLOZGWRYSA-N	234.339	3.943	0	1	BHAF	
C[C@]12N[C@H](Cc3ccccc31)C[C@H]1CCCC[C@@H]12	36011777	DMDUWMGEBWRLLD-JHNDHUHGSA-N	241.378	3.626	0	1	BHAF	
C[C@H]1CCCC2=CC=C[C@H](C(C)(C)O)[C@@]21C	238776057	NAMGLFWPKVHQKV-NJZAAPMLSA-N	220.356	3.696	0	1	BHAF	
CCCCCCN1CC[C@H](c2cccc(O)c2)C1	1857755761	OIDVIVFTQMTONJ-HNNXBMFYSA-N	247.382	3.762	0	1	BHAF	
CC1=C[C@@H]2C(=C[C@@H]1O)[C@H](C)CC[C@@H]2C(C)C	2356328994	PDDMWQFBZZFOQR-DWZYQQQCSA-N	220.356	3.552	0	1	BHAF	
CC1=C2C[C@H](C(C)(C)O)CC[C@@H](C)[C@@H]2CC1	2356485059	QWMCMMDXNNGJGG-RTXFEEFZSA-N	222.372	3.920	0	1	BHAF	
Cc1cccc(-c2cc3nc(C)ccc3cn2)c1	28826056	RXRAEDHCPCFPLI-UHFFFAOYSA-N	234.302	3.914	0	1	BHAF	in-vivo
Cc1ccc2c(Cl)c(C=O)c(/C=C/O)nc2c1	102204428	WHVFOXBWQGABBY-SNAWJCMRSA-N	247.681	3.538	0	1	BHAF	
COc1ccc(/C=C/c2cccc(C#N)c2)cc1	169580794	KRMOJFCWEIWNRF-AATRIKPKSA-N	235.286	3.737	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)C[C@H](C1CC1)CC4)CC2	587215801	VJODTNXALYIYEM-CYBMUJFWSA-N	249.357	3.848	0	1	BHAF	
Clc1ccc(Nc2n[nH]c3ccccc23)cc1	1772604301	QNQAJPYYMAPRBO-UHFFFAOYSA-N	243.697	3.960	0	1	BHAF	
CC1=C2C[C@H](C)CC[C@@H]2[C@H](C(C)(C)O)CC1	2356672090	WKWATASPNZWAFM-SCDSUCTJSA-N	222.372	3.920	0	1	BHAF	
CC(C)(C)c1cn(-c2ccccc2)c(=S)[nH]1	6492517	OVHVWCVACOIESJ-UHFFFAOYSA-N	232.352	3.832	0	3	BHAF	
CCCN(CCC)[C@@H]1CCc2sccc2C1	13474743	GTEKPTHVDJVUHM-CYBMUJFWSA-N	237.412	3.727	0	1	BHAF	
C(=C/c1c[nH]c2ccccc12)\c1ccccn1	27993232	OZPYZRJHDWCCQM-CMDGGOBGSA-N	220.275	3.733	0	1	BHAF	
CCN1[C@H]2CC[C@@H]1[C@H](c1ccc(Cl)cc1)C2	40709673	BYKWZRJIQJVYGD-MELADBBJSA-N	235.758	3.680	0	1	BHAF	
CC=Cc1c(CC)c2n3c1CC[C@@H]3CC=C2	2356663414	FLBBRRZFRKLKMF-NSHDSACASA-N	213.324	3.988	0	1	BHAF	
C[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H](C)[C@@]13CC2(C)C	3994501	KHINYKJYBNWSSP-IAGXKZSMSA-N	220.356	3.674	0	1	BHAF	
CC1=C2CC[C@]2(C)[C@@H]2C[C@@](C)(CO)C[C@@H]2C1	14681233	CEHAGMRKIZPEMS-ATGSNQNLSA-N	220.356	3.532	0	1	BHAF	biogenic
CC(C)=C[C@@H]1CC(=O)c2cc(Cl)ccc2O1	40862977	ULZQGYIDQCQREN-SNVBAGLBSA-N	236.698	3.640	0	1	BHAF	
CC1(C)C[C@]2(C)C[C@@H]1C[C@@]2(O)c1ccccc1	195514403	KQZKZBLFKVGKCX-VNQPRFMTSA-N	230.351	3.720	0	1	BHAF	
CC1(C)C[C@H]2[C@H]1CCC1=CCC[C@@]2(O)CC1	238770956	UUFHSKASMKIFRT-VNHYZAJKSA-N	220.356	3.674	0	1	BHAF	
CC1=C2CC(C)(C)C[C@H]2[C@@H](O)c2cocc2C1	15168807	ZWRLWJAFBLTMSQ-TZMCWYRMSA-N	232.323	3.622	0	1	BHAF	biogenic
CN1CCc2ccc(Cl)c3c2[C@@H](CCCC3)C1	27723017	MBJGLFKMFSBMPB-LBPRGKRZSA-N	249.785	3.638	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@]3(C)O[C@@H](C1)[C@@H]23	95912770	CJPKEQVKLSZFCR-BTFPBAQTSA-N	220.356	3.792	0	1	BHAF	biogenic,in-vitro
Cc1cc2oc(C)c(C)c2c2c1CCC2	238753424	OEXISUKIIHCFRJ-UHFFFAOYSA-N	200.281	3.847	0	1	BHAF	
CCN1CCC[C@H]1C12CC3CC(CC(C3)C1)C2	26995439	ZOZSPXRFPOGNPG-DQGBIZLVSA-N	233.399	3.687	0	1	BHAF	
CCC(C)(C)c1[nH]c2ccccc2c1CCNC	72122993	OMHHVTKNDWGWRP-UHFFFAOYSA-N	244.382	3.617	0	1	BHAF	
Fc1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1	586902185	VKNFVUAPHWCHFB-UHFFFAOYSA-N	242.253	3.839	0	1	BHAF	
CC(C)Cn1nc2cc1Oc1ccc(F)cc1-2	587874492	CTLWVMGBCHUSRH-UHFFFAOYSA-N	232.258	3.451	0	1	BHAF	
C[C@@H](c1cccc(C2(C)CC2)c1O)C1CC1	1772637490	ZYWMCDVDNOVZGC-SNVBAGLBSA-N	216.324	3.957	0	1	BHAF	
CN1CC[C@]23CCCC[C@@]12CCc1ccccc13	2356543153	HRVFWGHILZIZQQ-IRXDYDNUSA-N	241.378	3.519	0	1	BHAF	
CCC=C(C)C=C(C)c1cc(=O)c(C)c(OC)o1	2356652121	PQFNJZQHCVCCPG-UHFFFAOYSA-N	248.322	3.716	0	1	BHAF	
C[C@H]1N[C@@H](C2CC2)C[C@H]1c1ccc(Cl)cc1	5763955	PZJBWSQQDMRZHY-OWYVNGRQSA-N	235.758	3.584	0	1	BHAF	in-man
CC[C@@H](C)CCCCC[C@H](C)C(=O)O	15119683	IDEAYCCGKZRXTP-MNOVXSKESA-N	200.322	3.704	0	1	BHAF	biogenic
CC(C)=CCC/C(C)=C/c1nc2cnncc2[nH]1	587969536	YZPYDQCKAPRVHN-YRNVUSSQSA-N	242.326	3.503	0	1	BHAF	
CCCCC=COC(=O)c1ccccc1	2356738253	ALTSDDHTSDGUCM-UHFFFAOYSA-N	204.269	3.547	0	1	BHAF	
C/C1=C\CC[C@H](C)C(=O)Cc2c(C)coc2C1	6072099	ZLESWHXADLWJPV-UAWPZABVSA-N	232.323	3.618	0	1	BHAF	endogenous,in-man
Cc1ccc([C@H]2CC=CC(=O)O2)c2ccccc12	40979416	PCEBRNJCKGIJLD-OAHLLOKOSA-N	238.286	3.692	0	1	BHAF	
Cc1sc2ccccc2c1[C@H]1C=CN=CN1C	218959812	KNTGMWFWVKRZOL-GFCCVEGCSA-N	242.347	3.738	0	1	BHAF	
C[C@H]1CCC[C@]2(C)CC[C@H]3[C@H](C3(C)C)[C@@]12O	238755431	OZQFXWFQYIVHRZ-OBORUHMCSA-N	222.372	3.610	0	1	BHAF	
CCCC1(c2nc3cc(Cl)cnc3[nH]2)CCC1	586877558	DJVIXRVREYKHAR-UHFFFAOYSA-N	249.745	3.833	0	1	BHAF	
Cc1ccc(-c2cc3c4c(cccc4n2)CC3)nc1	587212333	NJQXTBIBWFEDAC-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
Cc1cc2c(cc1F)[C@@](C)(CCC(C)C)NCC2	962303936	YOYQOTQJEUKVOI-MRXNPFEDSA-N	249.373	3.931	0	1	BHAF	
C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1CCC(=O)O	2356609156	PWQNLFCXVDTJKD-XGFWRYKXSA-N	236.355	3.726	0	1	BHAF	
COc1c2c(c3ccccc3c1O)[C@@H]1C=C[C@H]2C1	1633837	ISTNMYZRHAPWOD-ZJUUUORDSA-N	238.286	3.695	0	1	BHAF	
CC1=C[C@H]2[C@@H](CC1)C(CO)=CC[C@@H]2C(C)C	13381209	XDKFSOYELINRIA-QLFBSQMISA-N	220.356	3.554	0	1	BHAF	biogenic
CC(C)C1=C2CC[C@@H](CO)CC[C@]2(C)CC1	13432649	RVCIHQWCEFELJN-IUODEOHRSA-N	222.372	3.922	0	1	BHAF	biogenic
CC(C)=C1CCC(C)=C2CC[C@](C)(O)[C@@H]2C1	15264310	ZVIMQWMKXPGGTC-CABCVRRESA-N	220.356	3.984	0	1	BHAF	biogenic
CCCC=C(C)c1cc(O)c(CC)c(O)c1C=O	2356596151	BEEZXTYOZYXCKI-UHFFFAOYSA-N	248.322	3.676	0	1	BHAF	
c1cnc2c(c1)-c1cccc3cccc-2c13	2040921	XJWJTIKXJYAHBE-UHFFFAOYSA-N	203.244	3.882	0	1	BHAF	biogenic
CC[C@H]1OCCC[C@@H]1c1nc2cccc(C)c2[nH]1	586914249	UVNKXMNUIGXEFJ-WCQYABFASA-N	244.338	3.544	0	1	BHAF	
CC(C)(Cl)c1nc2cnc3ccccc3c2[nH]1	587008243	MMNHPYKKLSPDKC-UHFFFAOYSA-N	245.713	3.585	0	1	BHAF	
C[C]1C=C(C)C=CN1Cc1ccccc1C	2356820217	QUGXKWYQTJOSGZ-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CCC1=CN(Cc2ccc(F)cc2)[CH]C=C1	2356848212	ZCISLYSPTCUSNV-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CCCO[P@@]1(=O)C=CC(Cl)=C(C)C1	1629077	FJRUJMZGGYRQBK-ZDUSSCGKSA-N	220.636	3.731	0	1	BHAF	
CC1=CC=C[C@]2(C)CC[C@H](C(C)(C)O)C[C@H]12	5766887	AMZWKSYAMHGGSR-GZBFAFLISA-N	220.356	3.696	0	1	BHAF	biogenic
CC1(C)CCC[C@]2(C)[C@H]1CC[C@@]2(C)C(=O)O	13374728	JQVRGJMXYNVMIA-GDLCADMTSA-N	224.344	3.704	0	1	BHAF	biogenic
CC1=C2C[C@H](C=CC(=O)O)CC[C@@]2(C)CCC1	2356670800	CFUISBDJXHZKJK-IUODEOHRSA-N	234.339	3.934	0	1	BHAF	
CC(C)=CCCN(C)[C@H]1CC=C(C)CC1	12501587	GGPFTSMJRHEOJG-AWEZNQCLSA-N	207.361	3.773	0	1	BHAF	in-vivo
CC(=O)CC[C@H]1C(C)=CC[C@@H](C)C1(C)C	14557282	GOWGYNUJGXNVOU-YPMHNXCESA-N	208.345	3.984	0	1	BHAF	biogenic
CC1=CC[C@H]([C@]2(C)CC(=O)CC(C)(C)O2)CC1	14682143	FBZSMLWLLPEEKP-WFASDCNBSA-N	236.355	3.650	0	1	BHAF	biogenic
CC1(C)CCC[C@]2(C)CC=C(CO)[C@H]3C[C@@]312	14766750	RIGGCOJUFQBLRZ-BPLDGKMQSA-N	220.356	3.532	0	1	BHAF	biogenic
CNc1c2c(nc3ccccc13)-c1ccccc1C2	14946327	XDJMSAGMRHXWGV-UHFFFAOYSA-N	246.313	3.848	0	1	BHAF	
C/C(=C\c1cccc(F)c1)c1cc(O)cc(O)c1	40379050	VJYCOEIIIBNIEJ-BJMVGYQFSA-N	244.265	3.797	0	1	BHAF	
CC1(C)[C@H]2CC[C@]3(C)O[C@@]4(C)CC[C@@H]3[C@H]4[C@H]21	238766649	XMYINGMBVGGPBQ-CJIRXYIGSA-N	220.356	3.626	0	1	BHAF	
CC1=C[C@]23OC(=O)[C@H](C)[C@@H]2CC[C@H](C)[C@]3(C)CC1	2356710487	GLENKKGPJNCTCZ-AKIOZOGOSA-N	248.366	3.711	0	1	BHAF	
C[C]1C=CC(C)=CN1Cc1cccc(F)c1	2356862628	HBRWGSPOPHDFPQ-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
Cc1cc2c(cc1O)[C@H](C)C(=O)C[C@@H]2C(C)C	13381473	QPXQUILITXIQFA-WDEREUQCSA-N	232.323	3.517	0	1	BHAF	endogenous,in-man
C[C@H]1CC/C(=C\C(C)(C)O)[C@H]2[C@@H](C)CC[C@@H]12	14827161	IYMKPZYUEJPWPC-ACOCKAGDSA-N	222.372	3.776	0	1	BHAF	
CCC/C=C\C=C\C=C/C(=O)NCCC(C)C	238788121	SCPZCRFWGBTKEW-KDQYYBQISA-N	235.371	3.617	0	1	BHAF	
CC=C(C)C(=O)O[C@H](CC)CCCCC	2356285447	LMBAQNNBRWRROG-GFCCVEGCSA-N	212.333	3.855	0	1	BHAF	
C1=C[C@]2(CCCCO2)OC1=Cc1cccs1	2356471585	RXMTVKWPXJEZLL-ZDUSSCGKSA-N	234.320	3.572	0	1	BHAF	
[CH]1C=CC=C(c2ccccn2)N1Cc1ccccc1	2356804454	MEBVICXKXKXUAL-UHFFFAOYSA-N	247.321	3.656	0	1	BHAF	
CC(C)[C@H]1CC(C)(C)[C@@H](O)C2=C1CC[C@H]2C	13379033	YAYULTVMGYOHHF-QKCSRTOESA-N	222.372	3.776	0	1	BHAF	biogenic
CC(C)[C@@H]1CCc2coc3c2[C@H]1C[C@@H](C)C3=O	14439209	OXGBVJBYGGQURY-USWWRNFRSA-N	232.323	3.804	0	1	BHAF	biogenic
CCC[C@H](C)C[C@@H](C)Cc1coc(=O)c(C)c1	15119969	MXIKDHHQNDZAAJ-NWDGAFQWSA-N	236.355	3.953	0	1	BHAF	biogenic
O=C1S[C@H](Cc2ccccc2)c2ccccc21	95556378	ZAKRJPYEWRNDJA-CQSZACIVSA-N	240.327	3.857	0	1	BHAF	
Cc1cccc2c1[C@H](c1ccccc1)CN(C)C2	95563452	PUACBDCIAIMRLD-INIZCTEOSA-N	237.346	3.572	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]3C[C@@](C)(CCC3=O)CC[C@H]21	100042800	JLZBTPJKBKNFEG-RTWAVKEYSA-N	220.356	3.818	0	1	BHAF	biogenic,in-vitro
CC[C@H]1C[C@@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	100805918	OWBORVXXMMDEAN-ZFZWDLNGSA-N	243.394	3.619	0	1	BHAF	
Cc1cccc2c(=O)[nH]c(-c3ccccc3)c(C)c12	146075228	GRSACGLQNOTJPL-UHFFFAOYSA-N	249.313	3.812	0	1	BHAF	in-vitro
C[C@@]12N[C@H](Cc3ccccc31)C[C@@H]1CCCC[C@@H]12	169359836	DMDUWMGEBWRLLD-HDEZJCGLSA-N	241.378	3.626	0	1	BHAF	
CCCC(=O)c1cc2c(cn1)[nH]c1ccccc12	7260873	QIZPCEVRKTWHIE-UHFFFAOYSA-N	238.290	3.699	0	1	BHAF	
c1ccc2cc(CC3CCOCC3)ccc2c1	653915613	CXESJNDAXJSIQH-UHFFFAOYSA-N	226.319	3.809	0	1	BHAF	
C[C@H]1CC[C@@]2(O)[C@H]3C[C@H](CC[C@@H](C)[C@@H]13)C2(C)C	2356365193	HKGFZBDJALFJBU-QBEQGLCCSA-N	236.399	3.856	0	1	BHAF	
C[C@@H]1CC[C@]2(C)[C@H](C)C(=CCO)CC[C@@]12C	2356510249	RMIRDGFNJKHARM-RJZRQDKASA-N	222.372	3.778	0	1	BHAF	
CC(C)[C@@H]1C=C[C@](C)(O)CCC=CCC1	2356695443	HLACYKWDKMDHMU-UONOGXRCSA-N	208.345	3.696	0	1	BHAF	
Cc1ccc(COc2ccc(CN=O)cc2)cc1	169691653	UPJPOVGMLYXCOS-UHFFFAOYSA-N	241.290	3.840	0	1	BHAF	
Cc1cc(C)c2[nH]c(C3=CCCC3)nc2c1	586882741	AURUWAGUQUUDBB-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
Cc1[nH]c2c(C)cc(Cl)cc2c1-n1ccnc1	587627093	NSKNDWISOZSIMM-UHFFFAOYSA-N	245.713	3.624	0	1	BHAF	
CC(=C[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C12)CO	2356381381	KIQXKOUFPHTUQS-XBFCOCLRSA-N	220.356	3.698	0	1	BHAF	
CC1(C)C[C@H]2[C@@H](C1)[C@@H]1O[C@@]2(C)Cc2cocc21	5762449	ILACEZQKVDMRMW-HTUGSXCWSA-N	232.323	3.718	0	1	BHAF	
Cc1coc2c(O)c3c(c(C=O)c12)[C@H](C)CCC3	13300428	DPPNXGXKFMEGBU-MRVPVSSYSA-N	244.290	3.699	0	1	BHAF	biogenic
CC1=C2C/C=C(\C)CC/C=C(\C)C[C@@H]2OC1=O	30726907	SLGKCOCDZZQQLY-HSLDFMSTSA-N	232.323	3.695	0	1	BHAF	biogenic,in-vitro
CC(C)=CCC[C@@H](C)[C@]12CC[C@](C)(O)[C@H]1C2	100823538	IRDFGGRWKUKANK-APIJFGDWSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CCC/C=C\C=C/C=C\C(=O)NCCC(C)C	238788117	SCPZCRFWGBTKEW-HAQUHOBPSA-N	235.371	3.617	0	1	BHAF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](C(C)C)N1	962944755	FEMXLXNUYVHGNU-ABAIWWIYSA-N	242.366	3.789	0	1	BHAF	
c1ccc(-c2cc3c(n2C2CC2)CCC3)cc1	1772645739	GURODVALECOZEW-UHFFFAOYSA-N	223.319	3.979	0	1	BHAF	
CC1=C2C[C@H]3CC[C@@H](C)[C@@]2(C[C@H]1O)C3(C)C	2356510771	KVXSGZUUGMQBGN-ZTYOMDHBSA-N	220.356	3.530	0	1	BHAF	
CC1=C(C)[C@H]2C(C)(C)[C@@H](CO)C[C@@]2(C)CC1	2356659615	LFLBXCLVRYZDOG-VNHYZAJKSA-N	222.372	3.778	0	1	BHAF	
CCN[C@@]12CCCC[C@@H]1CCc1ccccc12	29569751	DGBRGNBZYYODJF-ZBFHGGJFSA-N	229.367	3.628	0	1	BHAF	
CC(C)c1[nH]c2ccccc2c1Cn1cccn1	35000817	DEOJWUBKXWDGAU-UHFFFAOYSA-N	239.322	3.536	0	1	BHAF	
C[C@@]12N[C@H](c3ccccc31)[C@@H](F)c1ccccc12	100649106	ZALAPTYRPBPOQR-XHSDSOJGSA-N	239.293	3.619	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@@H]2C(=O)C[C@H](C)C[C@H]12	2356329381	CUDCDRWHADINCC-OICBVUGWSA-N	220.356	3.984	0	1	BHAF	
CCCN(CCC)[C@@H]1CCc2c(F)cccc2C1	13759323	WFENTJXFRAVXHY-CQSZACIVSA-N	249.373	3.805	0	1	BHAF	
Fc1ccc(Oc2nccc3occc23)c(F)c1	169325532	HGWAQHCIDNYZGS-UHFFFAOYSA-N	247.200	3.898	0	1	BHAF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3cccnc3[nH]2)C1	587969624	RKCYPTBHNJMQBF-GHMZBOCLSA-N	243.354	3.888	0	1	BHAF	
CC(C)c1ccc([C@@H]2NN=C3CCC[C@H]32)cc1	1857571030	YJVCDFQEAWAOCJ-HIFRSBDPSA-N	228.339	3.610	0	1	BHAF	
CC=CC=CCCCC=CC(=O)NCC(C)C	2356440817	RRGACHGVTJJFEN-UHFFFAOYSA-N	235.371	3.617	0	1	BHAF	
CC=C(C)C=CC=C[C@@H]1[C@@H]2C[C@H]2[C@@H]2CCCCN12	2356856119	RXGCHRLOGKSOBG-VQHPVUNQSA-N	243.394	3.938	0	1	BHAF	
Cc1coc2c1C(=O)[C@]1(C)[C@@H](C)CCC[C@@H]1C2	85767742	IKHQPKRQQBNMQX-FIXISWKDSA-N	232.323	3.769	0	1	BHAF	
CC(C)=C[C@@H]1[C@H](C)CC[C@H]2[C@H](C)CC[C@]12O	86032859	QGALFKRHZSPTEG-UXXRCYHCSA-N	222.372	3.776	0	1	BHAF	in-man
CC[C@@H](C)c1nc2cc(C)c(F)cc2[nH]1	587955894	LYUYAUMGJIOEKW-SSDOTTSWSA-N	206.264	3.524	0	1	BHAF	
CC1=CCC[C@H](C)[C@H](O)[C@@H]2[C@@H](CC1)C2(C)C	2356580302	OAQDRZLZSMKKDK-CRWXNKLISA-N	222.372	3.776	0	1	BHAF	
C[C@@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@]2(C)[C@@H]1C3	116274122	GGHMUJBZYLPWFD-BUONHZGMSA-N	222.372	3.610	0	1	BHAF	
CCC[C@@]12CCN(C)[C@@H](Cc3ccccc31)[C@@H]2C	169342351	KCNQCXUUZIOATN-JQFCIGGWSA-N	243.394	3.621	0	1	BHAF	
CC(=O)c1nc(Nc2ccc(C)cc2)sc1C	1772604838	GNWRNASXULGRCS-UHFFFAOYSA-N	246.335	3.706	0	1	BHAF	
CC(=O)n1c(-c2ccccc2)cc2ccccc21	5167651	WXKQMCXQOXPSKQ-UHFFFAOYSA-N	235.286	3.968	0	1	BHAF	
Cc1ccccc1O[C@]12CCC[C@@H](CC(=O)C1)C2	101221591	JDAUYCQTBJPOOU-BBRMVZONSA-N	244.334	3.666	0	1	BHAF	
CC1(C)CC[C@](C)([C@]23CC[C@@](C)(O)[C@H]2C3)C1	2356402478	ICNMPYNAXDDQCA-BEAPCOKYSA-N	222.372	3.754	0	1	BHAF	
c1ccc(-c2ccc3c(c2)C[C@@H]2CNC[C@H]3C2)cc1	28472331	MDGLXPGRXDKFKE-SUMWQHHRSA-N	249.357	3.603	0	1	BHAF	
CC(C)=CCC[C@@](C)(NC=O)[C@H]1CC=C(C)CC1	2356429047	IDWULDRBNICSKT-JKSUJKDBSA-N	249.398	3.984	0	1	BHAF	
CCCCOc1ccc(-c2cc(C)no2)cc1	13530218	XEKAEMQSBUSNIO-UHFFFAOYSA-N	231.295	3.829	0	1	BHAF	
c1ccc(-n2cc3cnc4ccccc4c3n2)cc1	13648697	GUVLEBBZKMQLIY-UHFFFAOYSA-N	245.285	3.574	0	1	BHAF	in-vivo
CC1=C2CC[C@]2(C)C[C@@H]2CC(C)(C)[C@@H](O)[C@H]12	14715795	PDYFRRZJPCCQRD-QMPIGLIWSA-N	220.356	3.530	0	1	BHAF	biogenic
C1=C(Cc2ccccc2)COc2ccccc21	39378642	LHQZXZBFAHEVAD-UHFFFAOYSA-N	222.287	3.705	0	1	BHAF	
Oc1ccccc1N1CCC[C@H]2CCCC[C@@H]21	66098642	GSVFSJBIDHVUJE-OLZOCXBDSA-N	231.339	3.551	0	1	BHAF	
Fc1ccc(CN2C3CC4CC(C3)CC2C4)cc1	72105111	FQFBUHNDTLYTAW-UHFFFAOYSA-N	245.341	3.589	0	1	BHAF	
CC1=CC[C@@H]2[C@@H]1C[C@@H](C(C)C)CC[C@@]2(C)O	2356751849	QVIBTAJDNXPTIG-GBJTYRQASA-N	222.372	3.776	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@]12CC=C(CO)CC2	13307441	BQHRDXJFXULIGH-SWLSCSKDSA-N	220.356	3.842	0	1	BHAF	biogenic
Cc1ccc([C@@H](C)C(=O)O)cc2c(C)ccc1-2	13385392	VEHBLYQIKWPOQM-LLVKDONJSA-N	228.291	3.596	0	1	BHAF	biogenic
CC(N=O)=C1C=CC=CN1Cc1ccccc1	38176467	UPOPXHUSXNMFSM-UHFFFAOYSA-N	226.279	3.570	0	1	BHAF	
CC(C)=CCc1ccc(O)c(CCC(C)(C)O)c1	13378301	PHHVRUIBGWRBDD-UHFFFAOYSA-N	248.366	3.604	0	1	BHAF	biogenic
C=C(C)[C@@H]1CC[C@]2(C)CC(=O)[C@@H](C)CC[C@@H]12	13432067	YIYTUCKPVQWDEN-PWNZVWSESA-N	220.356	3.984	0	1	BHAF	biogenic
c1ccc(N(Cc2c[nH]cn2)c2ccccc2)cc1	95558251	RBMRXSZSDPYCHD-UHFFFAOYSA-N	249.317	3.748	0	1	BHAF	
Cc1cccc(C2=C[C@@H](C)c3cccnc3N2)c1	100801100	JIOPAIHBJURUGO-GFCCVEGCSA-N	236.318	3.960	0	1	BHAF	
CC=C(C)C(=O)Oc1ccc(C)cc1C(C)C	2356585279	KRVQPLGJQFNMHY-UHFFFAOYSA-N	232.323	3.990	0	1	BHAF	
C[C@@]12CCC[C@]1(C)[C@@H]1C[C@@]2(C)CCC1=O	14615016	VLWAAPCZYHOYCB-ZRJCITRHSA-N	206.329	3.572	0	1	BHAF	biogenic
CC1(C)[C@@H]2[C@H]1CCC1=CCC[C@](C)(O)[C@@]12C	38321644	KNXZVLCOUSPZJD-DHMWGJHJSA-N	220.356	3.530	0	1	BHAF	biogenic,in-vitro
c1ccc([C@H]2c3ccccc3[C@@H]3CCNC[C@H]23)cc1	39223538	BREMVKXMHGWYKJ-SZMVWBNQSA-N	249.357	3.525	0	1	BHAF	
CC(C)(C)C1=CSC2=N[C@H]3CCCC[C@@H]3N12	40738065	JHGPUVYVPAWRDX-UWVGGRQHSA-N	236.384	3.604	0	1	BHAF	
Cc1cccnc1-c1c(C)[nH]c2cccc(F)c12	587636786	IPEYTPZCAWMIPK-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
CC(=O)[C@@H](C)CC=CC=Cc1ccccc1	2356554084	KJVVKOWXNRGZDU-ZDUSSCGKSA-N	214.308	3.871	0	1	BHAF	
CCCCC[C@@H](O)C[C@@H](O)CCCC=CCl	2356606798	DOJFCHNSBVYWMU-OLZOCXBDSA-N	248.794	3.601	0	1	BHAF	
COc1ccc2cc(-c3ccccc3)ncc2c1	1017954	LSVLRXZNHHSROX-UHFFFAOYSA-N	235.286	3.910	0	3	BHAF	
C=C(C)[C@@H]1CC[C@H](C)[C@]12C[C@H](C(C)C)C(=O)O2	13412538	JBUPYYZICGGNGI-SFDCQRBFSA-N	236.355	3.567	0	1	BHAF	biogenic
Cc1cccc2c1Cc1c-2nc2ccccc2c1N	13808521	DKKGRNTXCNVFPV-UHFFFAOYSA-N	246.313	3.697	0	1	BHAF	
C[C@@]12CCC[C@]1(C)[C@@H]1C[C@@]2(C)CC[C@]12CO2	15265905	ROBVBIQWPFXMHM-QRTUWBSPSA-N	220.356	3.772	0	1	BHAF	biogenic
CC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12	26012251	PWOMGUJYIACTOZ-DLBZAZTESA-N	235.330	3.541	0	1	BHAF	
C/C(CO)=C1/CCC2=CCC[C@@H](C)[C@]2(C)C1	33950695	FXWSXJNUPFBCMQ-GDULLBNJSA-N	220.356	3.842	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@@](C)(O)[C@@H]3CC[C@]12C3	33950732	IJVXAOHQRPSJDV-HPYVJYLESA-N	222.372	3.610	0	1	BHAF	
CCC1=CCCC(C)(C)[C@]12C=C[C@H](C)O2	38634839	NHJSLVJXXDHDRV-FZMZJTMJSA-N	206.329	3.857	0	1	BHAF	endogenous,in-man
c1ccc2c(c1)sc1ccc3c(c12)CNCC3	40631752	PWDIKIPQYRIZSK-UHFFFAOYSA-N	239.343	3.700	0	1	BHAF	
CS[C@@H]1C[C@@H]2[C@@H](C[C@]1(C)SC)C2(C)C	136742389	GHHXTHWFXOUDSH-BFLSOPEQSA-N	230.442	3.906	0	1	BHAF	
c1ccc2c(c1)nc(-c1ccncc1)c1cccn12	203385484	OLVKAAAANOJZJE-UHFFFAOYSA-N	245.285	3.550	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(F)cc(F)c2[nH]1	586887796	HZKRDWOLWRFLQX-OQPBUACISA-N	236.265	3.745	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1C(F)(F)F	587633876	MNJMXNKCZVZEMK-UHFFFAOYSA-N	217.165	3.634	0	1	BHAF	
CC1=CC[C@]2(CC1)[C@H](C)CC[C@]2(O)C(C)C	13307521	LKCXXQCYAOULSO-ILXRZTDVSA-N	222.372	3.920	0	1	BHAF	biogenic
Clc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2	13611829	IXZHKLPXEBEKJV-IZZDOVSWSA-N	244.725	3.940	0	1	BHAF	
CC(=O)CCCc1cc2occ(C)c2cc1C	14694215	MULXWMGYKBEMKX-UHFFFAOYSA-N	230.307	3.961	0	1	BHAF	biogenic
CCCC/C=C/OC(=O)c1ccccc1	34496693	ALTSDDHTSDGUCM-DHZHZOJOSA-N	204.269	3.547	0	1	BHAF	biogenic,in-vitro
CC1=C2C[C@H](C(C)(C)O)CC[C@@H](C)[C@H]2CC1	2356485058	QWMCMMDXNNGJGG-RAIGVLPGSA-N	222.372	3.920	0	1	BHAF	
CC(C)Cc1cc2c(o1)c(N)nc1ccccc12	96914613	LGOIDUAPYDMEQU-UHFFFAOYSA-N	240.306	3.762	0	1	BHAF	
NCCCCCCCCCCc1cccnc1	13531724	SOZBJQHYMWHOEA-UHFFFAOYSA-N	234.387	3.704	0	1	BHAF	
Cc1cc2c(C)coc2cc1[C@H]1CC[C@](C)(O)O1	14694225	HGZNBZRPLXXXCS-UKRRQHHQSA-N	246.306	3.610	0	1	BHAF	biogenic
C=C(C)[C@@H]1CC[C@H](C)[C@@H](CCC(C)=O)C(=O)C1	14884885	CGLWYEZJKQTMLC-IACUBPJLSA-N	236.355	3.553	0	1	BHAF	biogenic
CC1(C)CC=C[C@@]2(C)C[C@H](CO)C(C)(C)[C@H]12	238777293	FZQSFFXBKWKOFG-XUJVJEKNSA-N	222.372	3.633	0	1	BHAF	
CCCCOC[C@H](C)CC=C[C@H](C)[C@@H](O)CC	2356394613	FADLKENMLJJTQC-ILXRZTDVSA-N	242.403	3.793	0	1	BHAF	
CNc1ccc(/C=C/c2cccc(OC)c2)cc1	64446891	TWHAVEWPWVFFDU-VOTSOKGWSA-N	239.318	3.907	0	1	BHAF	
C[C@H]1[C@@H]2C[C@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C	100521183	BWVZAZPLUTUBKD-VRPMWHRCSA-N	236.399	3.856	0	1	BHAF	in-man
CCCC[C@H](C)CCC[C@@H](C)C(=O)OC	214745420	VRLOLQPLMALDSE-NWDGAFQWSA-N	214.349	3.792	0	1	BHAF	
CC(C)=CCC[C@@](C)(NC=O)[C@@H]1CC=C(C)CC1	238742899	IDWULDRBNICSKT-HZPDHXFCSA-N	249.398	3.984	0	1	BHAF	
C[C@@H]1CCC2=C(C(=O)O)C(C)(C)CC[C@@]21C	2356848664	PHGGTDBZXHQBFS-YMTOWFKASA-N	222.328	3.624	0	1	BHAF	
CC1=CC[C@@]2(CC1)[C@@H](C(C)(C)O)CC[C@H]2C	13307527	XDVDHFJMCJWDPI-NFAWXSAZSA-N	222.372	3.920	0	1	BHAF	biogenic
O=c1ccc2cc(-c3cccs3)ccc2o1	72127981	NVROUZJKQRCFQT-UHFFFAOYSA-N	228.272	3.522	0	1	BHAF	
CCc1cncc(-c2sccc2C)c1	146946993	DRAGTOVRYDSRRV-UHFFFAOYSA-N	203.310	3.681	0	1	BHAF	
CC1=CC[C@@H](C(C)C)[C@@H]2C[C@H](CO)CC[C@H]12	238782176	IUKILOCAVNUEAC-BARDWOONSA-N	222.372	3.633	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)C[C@H](O)[C@@H](C)[C@@H]2CC1	2356672079	VYRPEQZTLXTRND-JURCDPSOSA-N	220.356	3.696	0	1	BHAF	
CCCC[C@H](CC)c1cc(C)cc(=O)o1	103203548	VMHGAIDIOHDNRR-NSHDSACASA-N	208.301	3.632	0	1	BHAF	
C[C@H]1CCC/C=C\C/C=C\CCCC(=O)O1	136897829	JSZKXZJGTWVDOI-FMASVTSHSA-N	222.328	3.775	0	1	BHAF	
Fc1cccc2nc(/C=C\c3ccsc3)[nH]c12	587025700	MVRCPCPCPNHZEB-PLNGDYQASA-N	244.294	3.934	0	1	BHAF	
CC[n+]1c(C)sc2c3ccsc3ccc21	370081	NHIQZLXROCGXAB-UHFFFAOYSA-N	234.369	3.732	0	3	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)C[C@@]3(C)CC[C@@H]1[C@@]23O	14679243	ZCRYDCBITZERMT-CWFCOSEVSA-N	222.372	3.610	0	1	BHAF	
Cc1ccc2cc(C(C)C)c(O)c3c2c1C(=O)N3	14679546	OHUGIXFKJDHURL-UHFFFAOYSA-N	241.290	3.543	0	1	BHAF	biogenic
c1ccc(-c2cccc3c2[C@@H]2CNC[C@H]3C2)cc1	28528465	WXTSGZNDVZORJW-KGLIPLIRSA-N	235.330	3.528	0	1	BHAF	
CC1=C[C@@]23OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@]3(C)CC1	34218782	GLENKKGPJNCTCZ-XYTFPVCRSA-N	248.366	3.711	0	1	BHAF	
Oc1ccc2c3c(oc2c1)-c1ccccc1CC3	653717530	LPPPLZMKKAJNSA-UHFFFAOYSA-N	236.270	3.904	0	1	BHAF	
CC(C)[C@@H]1CC(C)(C)C=C2[C@H](C)CC[C@]21O	2356436710	XDLCURIUCCHLSA-TYNCELHUSA-N	222.372	3.776	0	1	BHAF	
COC(=O)CC[C@@H](C)CCCCC(C)C	2356778704	BUAGASJNVKDZLY-LBPRGKRZSA-N	214.349	3.792	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1F	13755481	IDIJMAQOOZIZRH-HIFRSBDPSA-N	235.346	3.804	0	1	BHAF	
N=C(Sc1ccccc1)c1cccs1	90569341	NRGFBLMWRHHXLJ-UHFFFAOYSA-N	219.334	3.866	0	1	BHAF	
CCCCC/C=C/[C@H](C)CCOC(C)=O	95618267	NSCSPGLXFSPKCQ-BCPZQOPPSA-N	212.333	3.712	0	1	BHAF	endogenous,in-man
Cc1ccc([C@H](C)CC=CC(C)(C)O)cc1O	2356649225	DZGXYWVBUAZNOS-LLVKDONJSA-N	234.339	3.521	0	1	BHAF	
CC(C)C1=C2CC[C@@H](C)[C@@H]2CC(C)(C)[C@@H]1O	13379047	PFXZOGZHLWZMDT-SCDSUCTJSA-N	222.372	3.776	0	1	BHAF	
CC1(C)CCC[C@@]1(C)[C@H]1C=C[C@](C)(O)CC1	13412353	SGAVEYGCXUNESW-QEJZJMRPSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1(C)CCC[C@]1(C)[C@@]12CC[C@@](C)(O)[C@@H]1C2	13414983	KETNCTJQTHDBOO-PMOUVXMZSA-N	222.372	3.754	0	1	BHAF	
CC(C)[C@H]1CC[C@@H](C)C2=CC[C@](C)(NC=O)C[C@@H]21	38814214	OZDCCYQQEMKOSA-XOUADPBQSA-N	249.398	3.530	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@@H]3CC(=O)OCC3=CC[C@H]12	2356563640	LGRHALRTKURVFA-XJKCOSOUSA-N	248.366	3.712	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	2356666451	YJHVMPKSUPGGPZ-UKTARXLSSA-N	224.388	4.000	0	1	BHAF	
Cc1cc(CCc2ccc(F)cc2)cc(C)c1O	29554755	MMOZIIXKKMXNHL-UHFFFAOYSA-N	244.309	3.933	0	1	BHAF	
CC1=C2CC[C@](C)(O)[C@H]2[C@H]2[C@@H](CC1)C2(C)C	59586835	FPRYGNYXOFHMLF-BHPKHCPMSA-N	220.356	3.530	0	1	BHAF	biogenic,in-vitro
CC1(C)C[C@]2(O)[C@@]3(C)CCC[C@]2(C)[C@@H]1CC3	85647380	QOXUIQMPPDIDGM-BEAPCOKYSA-N	222.372	3.754	0	1	BHAF	in-man
CCCCc1ccc2cc(N(C)C)ccc2n1	653859569	HVBABCSPCNRYHN-UHFFFAOYSA-N	228.339	3.643	0	1	BHAF	
COc1cc2c(cc1C)[C@H](C(C)C)C(=O)C[C@@H]2C	13381460	MGLWKHLTALUWRL-QFYYESIMSA-N	246.350	3.820	0	1	BHAF	biogenic
Oc1cccc(-c2ccc3c(O)cccc3c2)c1	13644987	HXKYTCGOCJUQSE-UHFFFAOYSA-N	236.270	3.918	0	1	BHAF	in-vivo
Fc1cccc2nc(-c3ccoc3C3CC3)[nH]c12	586901940	QRIYIJJKNZBCJI-UHFFFAOYSA-N	242.253	3.839	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)CC[C@@H]4C1CC1)CC2	587214972	GYYSNPAKGYXJQY-GFCCVEGCSA-N	235.330	3.773	0	1	BHAF	
CC[C@@H](C)CCC[C@H]1CCCCC(=O)O1	14592102	FWCJVEHVQQNKBH-VXGBXAGGSA-N	212.333	3.689	0	1	BHAF	biogenic
CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@H]2CC1	14957310	HTJLBKLQZZOCAC-ZNMIVQPWSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CCCCC/C=C/C=C/C(=O)NCCC(C)C	141267194	ULOLHZSIMBITQO-BNFZFUHLSA-N	237.387	3.841	0	1	BHAF	
CC(C)[C@@H]1CC[C@@H](C)C2=CC=C(C(=O)O)[C@@H]2C1	2356450109	IHNAAHBUSNYLDV-JTNHKYCSSA-N	234.339	3.646	0	1	BHAF	
C[C]1C=CN(Cc2ccccc2F)C=C1C	2356861078	TYBCARGOLLLPQQ-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CC1=CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	15209408	FCSRUSQUAVXUKK-IPYPFGDCSA-N	222.372	3.920	0	1	BHAF	
CCNc1c(C)c(C)c2c(c1C)CC(C)(C)O2	13652148	OLMZSAXQYVJLLR-UHFFFAOYSA-N	233.355	3.757	0	1	BHAF	
CN1[C@@H]2Cc3ccccc3[C@@]1(C)[C@@H]1CCCC[C@@H]21	25996790	LGEKADIHPOTMRU-DZUCGIPZSA-N	241.378	3.578	0	1	BHAF	
CC(C)=C[C@]1(O)[C@@H](C)CC[C@@H]2[C@@H](C)CC[C@H]21	238733142	JOARPSTUQGJONT-AHDPXTMNSA-N	222.372	3.776	0	1	BHAF	
CC1(C)[C@@H]2CC[C@]3(C)CCC[C@@](C)(O)[C@H]3[C@@H]21	238768803	CJRKEDMYNFITCQ-RKEKIRQTSA-N	222.372	3.610	0	1	BHAF	
CC(C)(C)C(=O)N1CCCC[C@@H]1c1ccccc1	1857614108	QDFXDFSFZJNYJA-CQSZACIVSA-N	245.366	3.786	0	1	BHAF	
CC1=Cc2[nH]nc(C)c2[C@H](c2ccccc2)C1	4140255	SOBTVCXFFLNSSB-ZDUSSCGKSA-N	224.307	3.657	0	1	BHAF	
Cc1cc(-c2ccncc2)nc2c(C)cccc12	40863086	CUSMUOSQTFOIQE-UHFFFAOYSA-N	234.302	3.914	0	1	BHAF	
CC1=CC[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@H]2C	2356471491	QJRFOUJEGHRZIU-IHRRRGAJSA-N	234.339	3.631	0	1	BHAF	
CC1(C)[C@@H]2[C@H]1CC=C1CCC[C@](C)(O)[C@]12C	2356640588	INNGXJWTLWOYKO-PAPYEOQZSA-N	220.356	3.530	0	1	BHAF	
Fc1ccc(-c2ccc3nccn3c2)cc1Cl	61895779	ZPVALLWVOZSGAD-UHFFFAOYSA-N	246.672	3.794	0	3	BHAF	
c1ccc2c(c1)[C@H]1CC[C@]2(N2CCCCC2)C1	27527158	ADYWIWWZHCTASJ-BBRMVZONSA-N	227.351	3.649	0	1	BHAF	
CC1=C[C@]2(C=C[C@@H](C)O2)[C@@H](C(C)C)CC1	59560109	QQLMXACDDRGTPU-MGPQQGTHSA-N	206.329	3.712	0	1	BHAF	endogenous,in-man
Cc1cc2c(c(C)c1C(=O)O)CCCC2(C)C	103192351	TXCRZTIDNOXEEI-UHFFFAOYSA-N	232.323	3.616	0	1	BHAF	
CCCC/C=C\c1nc2cncc(Cl)c2[nH]1	587966523	VNPBHOSMKZCUEK-WAYWQWQTSA-N	235.718	3.815	0	1	BHAF	
Oc1ccc(CCc2ccccc2)c2cccnc12	36381419	BQZMRISVTJDRJE-UHFFFAOYSA-N	249.313	3.726	0	3	BHAF	
C[C@H]1CCC[C@]2(C)CC[C@H](C(C)(C)O)C=C12	100779315	SRHDLIDOZXPROB-SLEUVZQESA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
COc1ccc2[nH]c3cc(OC)c(C)cc3c2c1	6070469	MKQKWPIESXSKSS-UHFFFAOYSA-N	241.290	3.647	0	1	BHAF	biogenic
COC(=O)[C@]12CC[C@H](C)[C@@]13CCC[C@@]3(C)C=C2C	14558775	TVCZZGHOJYZDQA-DANNLKNASA-N	248.366	3.712	0	1	BHAF	biogenic
CCCC/C=C/CCCCCCCC(N)=O	26579906	HEYUMBMCJNRLSP-AATRIKPKSA-N	225.376	3.949	0	1	BHAF	
COc1cccc(-c2nc3ccc(F)cc3o2)c1	40424802	GGCLXKFKVNFJQZ-UHFFFAOYSA-N	243.237	3.643	0	1	BHAF	
Cc1cccc2c1CN(C)C[C@@H]2c1ccccc1	95562345	SUYOCKAQLJWIGF-QGZVFWFLSA-N	237.346	3.572	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@@H](O)[C@@H]31	100202397	MNNFKQAYXGEKFA-XXUMUBMXSA-N	222.372	3.610	0	1	BHAF	in-vitro
CCCC/C=C/c1nc2ccc(C(C)=O)cc2[nH]1	587965690	OSPJNKFMECHLBS-VOTSOKGWSA-N	242.322	3.969	0	1	BHAF	
CC(=O)CC[C@H]1C[C@@]2(CCC=C2C)OC1(C)C	14721231	WIQUMZFHDBZVSM-DZGCQCFKSA-N	236.355	3.650	0	1	BHAF	biogenic
CCCCCC[C@H](CC)C(=O)CC(C)=O	15204804	XCPDYBSBMIJFCN-LBPRGKRZSA-N	212.333	3.531	0	1	BHAF	
CC(C)=C1CCC(C)=C2CC[C@@](C)(O)[C@@H]2C1	15264308	ZVIMQWMKXPGGTC-HUUCEWRRSA-N	220.356	3.984	0	1	BHAF	biogenic
CCCCCC[C@@H](C)OC(=O)CC(=O)CCC	27706638	FDBMSWJCURJEMP-GFCCVEGCSA-N	242.359	3.648	0	1	BHAF	
CCC[C@@H]1CCC[C@]2(CCC[C@H](C)O2)O1	86052047	QXUAOIHBLJZVTQ-XQQFMLRXSA-N	212.333	3.641	0	1	BHAF	
CC(C)=CCC[C@@H](C)[C@]12CC[C@@](C)(O)[C@H]1C2	230541838	IRDFGGRWKUKANK-KBUPBQIOSA-N	222.372	3.920	0	1	BHAF	in-vitro
CC(C)Cc1cnc2cccc3c2c1CC3	587212972	DXFMLYJMUXWCHV-UHFFFAOYSA-N	211.308	3.532	0	1	BHAF	
Oc1c(Cc2ccccn2)ccc2ccccc12	27206373	YIGKMZOWTGFGST-UHFFFAOYSA-N	235.286	3.531	0	1	BHAF	
CC[C@@H](C)c1nc2ccc(SC)cc2[nH]1	587956051	NNTHYILBLQGFMN-MRVPVSSYSA-N	220.341	3.798	0	1	BHAF	
CC(C(=O)O)=C1CCC2=CCC[C@H](C)[C@@]2(C)C1	2356646956	VNECIGJTOXTUTM-ZUZCIYMTSA-N	234.339	3.934	0	1	BHAF	
C[C@H](CCN(C)C)c1cccc2ccccc12	2013206	VSHCVDNCTJJPDK-CYBMUJFWSA-N	227.351	3.895	0	1	BHAF	
Cc1cc2c(cc1C1CCCCC1)OC(=O)C2	29248100	KVDBCJNAYVLNHC-UHFFFAOYSA-N	230.307	3.504	0	1	BHAF	
CC1=CCC[C@@]2(C)CC[C@@H](C(C)C)C(=O)[C@H]12	85758479	OUIUORSUNABXEN-YDHLFZDLSA-N	220.356	3.984	0	1	BHAF	in-man
CCC1(CC)C2C[C@@H]3C[C@@H](C2)CC1(NC)C3	103023672	YGDGWJWCWSQRCX-YKQCJFHZSA-N	221.388	3.591	0	1	BHAF	
CCc1ccc2nc(C3=CCCC3)[nH]c2c1	586882753	BAFOWIBDCPBHNU-UHFFFAOYSA-N	212.296	3.693	0	1	BHAF	
CC(=CCC[C@@]1(C)[C@@H]2C[C@@H]1CC=C2C)CO	2356420651	JGINTSAQGRHGMG-RRFJBIMHSA-N	220.356	3.698	0	1	BHAF	
CC(=O)Oc1ccccc1C=Cc1ccccc1	2356318170	WSPVVKRXXXCPAG-UHFFFAOYSA-N	238.286	3.782	0	1	BHAF	
CC1=CCC[C@@]2(C)CC[C@H](C(C)(C)O)C=C12	15206792	ZGXJVMOLIQCZFN-WFASDCNBSA-N	220.356	3.840	0	1	BHAF	biogenic
CN(C)C[C@@H]1C[C@H]1c1ccc2ccccc2c1	28960436	HCOYSMZXQIWWOK-HOTGVXAUSA-N	225.335	3.505	0	1	BHAF	
CC1=C[C@H]2C[C@](C)(O)C[C@H](C)[C@H]2[C@@H](C)CC1	238772401	CQZPGEQDHSSUQN-BTFPBAQTSA-N	222.372	3.776	0	1	BHAF	
CC(C)=C[C@H]1C[C@H](C)c2cc(O)c(C)cc2O1	2356466586	LWGKZBSDGZFFFY-JQWIXIFHSA-N	232.323	3.921	0	1	BHAF	
CCCC[C@H](C)CCC[C@@H](C)C(=O)O	15119678	KATHYIVCSSJTDJ-WDEREUQCSA-N	200.322	3.704	0	1	BHAF	biogenic
C[C@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1	28645464	KVDDHSOWSOEYMM-NUEKZKHPSA-N	229.367	3.665	0	1	BHAF	
C[C@H]1CC(Cl)=C[C@@H](C2CCCCC2)O1	28821612	JHWDSEKCCQNMCB-CABZTGNLSA-N	214.736	3.867	0	1	BHAF	
CC1=C2CCC(C(=O)O)=C[C@@H]2[C@H](C(C)C)CC1	31159334	DXZHOOZGLCRBGL-GXTWGEPZSA-N	234.339	3.790	0	1	BHAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@@](C)(O)[C@H]1C2	230541799	IRDFGGRWKUKANK-GBJTYRQASA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CC1=C[C@H](CO)C(C)(C)[C@@]12CCCC2(C)C	238751186	KJYKEAYNZFLDKB-DOMZBBRYSA-N	222.372	3.778	0	1	BHAF	
CC/C(C)=C(\N)c1c(C)[nH]c2cc(F)ccc12	587636336	WVJGHPCXVSCTBT-ZSOIEALJSA-N	232.302	3.715	0	1	BHAF	
CC1=C[C@H]2OC(=O)[C@@H](C)[C@H]2CCC(C)=CCC1	1857606831	OVDMFKGCVWVONO-BFHYXJOUSA-N	234.339	3.631	0	1	BHAF	
CC(C)c1nccc2nn(-c3ccccc3)cc12	1857768416	BXHSPCVOBORPGZ-UHFFFAOYSA-N	237.306	3.544	0	1	BHAF	
CCCN1CCC[C@H](c2ccccc2C)C1	13492907	DSPOQGRZNACTQF-AWEZNQCLSA-N	217.356	3.584	0	1	BHAF	
CC/C=C(C)\C=C(/C)c1cc(OC)c(C)c(=O)o1	213572863	YYOBOZLWPYZHOQ-BDLVGCLISA-N	248.322	3.716	0	1	BHAF	
COc1cccc([C@@H](C)CCN2CCCCC2)c1	1772592531	VOQBIIDKGKTMLS-AWEZNQCLSA-N	247.382	3.675	0	1	BHAF	
CC(C)CCCC1CC(=O)C(C(C)C)C(=O)C1	2356405669	AIZFTHHPMACFTH-UHFFFAOYSA-N	238.371	3.633	0	1	BHAF	
CC1(C)C=C(NC=O)[C@]23CCC[C@@](C)(CC[C@@H]12)C3	2356414834	RQTIGQNOHSJVTD-RCBQFDQVSA-N	247.382	3.633	0	1	BHAF	
COC(=O)c1c(C)cc2c(c1C)CCCC2(C)C	38436768	BVQLZJZFNJEMSA-UHFFFAOYSA-N	246.350	3.704	0	1	BHAF	
C[C@H]1CCCc2nc3cccc4c3c(c21)CC4	587216086	YVKFLQGKNZBDGH-JTQLQIEISA-N	223.319	3.773	0	1	BHAF	
CCCCC=CCCOP(=O)(OC)OC	2356550253	RUAVKQHRKQUZGB-UHFFFAOYSA-N	236.248	3.540	0	1	BHAF	
CC1=CC[C@H](C2=CC[C@H](CO)CC2)C1(C)C	64624723	XQIOPWXEFQXMSF-GXTWGEPZSA-N	220.356	3.698	0	1	BHAF	in-vitro
C[C@@H]1CC[C@]23C[C@](C)(O)[C@@H]2CC(C)(C)C[C@@H]13	238732116	GHPSJEGKNWWAPB-FUQNVFFISA-N	222.372	3.610	0	1	BHAF	
c1cc2c3c(cc(-c4ccoc4)nc3c1)CC2	587215091	AVGDKVYYTTVRLH-UHFFFAOYSA-N	221.259	3.593	0	1	BHAF	
O=C(c1coc2ccc(Cl)cc12)C(F)F	587279211	YILYHSASPBAFAX-UHFFFAOYSA-N	230.597	3.534	0	1	BHAF	
C=C1Nc2ccccc2-c2c(N)c3ccccc3n21	958003421	OOXJURVAQJYVDS-UHFFFAOYSA-N	247.301	3.744	0	1	BHAF	
CC(=CCC(C)(C)C=CCc1ccoc1)C(=O)O	2356838473	MAGTVPLDJXYNTN-UHFFFAOYSA-N	248.322	3.826	0	1	BHAF	
CC1=CC[C@@]2(O)[C@@H](C1)[C@H](C(C)C)CC[C@H]2C	14918712	UNIAPSVPVLDCMD-QPSCCSFWSA-N	222.372	3.776	0	1	BHAF	biogenic
CC1=C[C@@H]2OC(C)(C)[C@@H]3CC[C@@H](C)[C@@]23CC1	85666897	JGKMDLIITSKWAD-UKTARXLSSA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
CC1=C[C@@H]2[C@@H]3C(=O)[C@@H]1[C@]3(C)CCCC2(C)C	104370702	KKQDNHZABGRCAS-BLTAXRJOSA-N	218.340	3.594	0	1	BHAF	in-man
c1cc2c3c(c4c(nc3c1)-c1sccc1C4)CC2	587359978	KOFAOKULYFPGJN-UHFFFAOYSA-N	249.338	3.966	0	1	BHAF	
Cc1ccc([C@@H](C)CC[C@H](O)C(C)C)c(O)c1	2356803202	WVCWCHNQEAVYAY-JSGCOSHPSA-N	236.355	3.601	0	1	BHAF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCc1ccccc1)C2	3903694	RDMPEKVKUMKCOW-INMHGKMJSA-N	243.394	3.991	0	1	BHAF	
C[C]1C=C(C)C=CN1Cc1ccc(F)cc1	2356856401	ZLEJNXLJXRZCJY-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
C=CC(C)(C)C(=O)[C@H](C)[C@@H]1CC[C@@](C)(C=C)O1	13373091	GJHJZCGMDGIUKC-TYNCELHUSA-N	236.355	3.528	0	1	BHAF	biogenic
C[C@@H]1CC=C(Cc2ccc(O)cc2)CC1	26848659	BKZGKNWHRSIPPV-LLVKDONJSA-N	202.297	3.681	0	1	BHAF	
Cc1cccc(NC23CC4CC(CC(C4)C2)C3)n1	28224856	JSQBMOALUDINKI-UHFFFAOYSA-N	242.366	3.771	0	1	BHAF	
CC[C@@H](C)Oc1nccc2c1[nH]c1ccccc12	40379684	CLHNYEQYJIKPFT-SNVBAGLBSA-N	240.306	3.893	0	1	BHAF	
CCCC(CCC)NC(=O)c1ccc(CC)cc1	114427855	AFOSDRNJJTYPHG-UHFFFAOYSA-N	247.382	3.948	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1	586889709	MQJMHZQHCZVJRL-BMIGLBTASA-N	244.338	3.784	0	1	BHAF	
CC/C=C/Cc1cnc2cccc3c2c1CC3	587214735	XMQSUCWHQFPAEN-ONEGZZNKSA-N	223.319	3.842	0	1	BHAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3[C@H]1[C@@]2(C)C=C[C@@]3(C)O	2356662006	YETXRPZLDDRIAG-GTDBDLECSA-N	234.383	3.632	0	1	BHAF	
CC[C@@H](C)C[C@H](C)C=C(C)C=CC(=O)O	2356720028	OILLDIIQDQVGSY-PWSUYJOCSA-N	210.317	3.646	0	1	BHAF	
CC1=C2C/C=C(\C)CC/C=C(\C)C[C@H]2OC1=O	898575	SLGKCOCDZZQQLY-SKJLMIICSA-N	232.323	3.695	0	1	BHAF	in-vitro
CC(C)=CCC[C@@](C)(O)[C@H]1CC=CCC1	14614540	NHPAJUWVDYHROB-UONOGXRCSA-N	208.345	3.840	0	1	BHAF	biogenic
CC(=O)[C@@H]1CC[C@@H]2C(C)=CC[C@H](C(C)C)[C@@H]21	14618376	KXBQKXOLPYNGHE-KBXIAJHMSA-N	220.356	3.840	0	1	BHAF	biogenic
CC(=O)CC[C@H](c1cc(C)ccc1O)C(C)C	14696960	UFWXDPOVAJYDEP-ZDUSSCGKSA-N	234.339	3.809	0	1	BHAF	biogenic
Cc1c(C(C)(C)C)nc2cccc3c2c1CC3	587212502	AOFIUEUPRZRPSI-UHFFFAOYSA-N	225.335	3.939	0	1	BHAF	
Cc1c(CC(C)C)nc2cccc3c2c1CC3	587214028	NJSXJHPIEILGQY-UHFFFAOYSA-N	225.335	3.840	0	1	BHAF	
Cc1nc2cccc3c2c(c1CC(C)C)CC3	587214710	WOSLVSYMUDHMBE-UHFFFAOYSA-N	225.335	3.840	0	1	BHAF	
CC1=C2c3cc(C)c(C)cc3[C@H](C)C[C@H]2OC1=O	2356638296	YKUQTDKMRDPOQH-QMTHXVAHSA-N	242.318	3.510	0	1	BHAF	
CC[C@H](O)CN(c1ccccc1)c1ccccc1	6711180	YZZSIMVPPVUDRL-INIZCTEOSA-N	241.334	3.596	0	1	BHAF	
CC[C@@H]1CCCC[C@]2(CC[C@@H](CC)O2)O1	15042820	SOXITGSDPZLVJM-UPJWGTAASA-N	212.333	3.641	0	1	BHAF	biogenic
CCn1c(C)cc2c3ccccc3nc-2c1C	377817249	MOEJDFAIGUAFOA-UHFFFAOYSA-N	224.307	3.778	0	1	BHAF	
Cc1cc2c(cc1F)[C@](C)(CCC(C)C)NCC2	962303930	YOYQOTQJEUKVOI-INIZCTEOSA-N	249.373	3.931	0	1	BHAF	
CCC1=CN(CC(=O)c2ccc(C)cc2)[CH]C=C1	2356819377	OQZXWUNSKQZGBH-UHFFFAOYSA-N	240.326	3.505	0	1	BHAF	
NC[C@H]1C2CCC(CC2)[C@H]1c1cccc(Cl)c1	13795127	JRNZMQHRXKVRNL-HBGGEXNNSA-N	249.785	3.819	0	1	BHAF	
CCCCC/C=C/C=C/C(=O)NC[C@H](C)CC	31155883	DNFXVYXFGYXVTF-HVMMISARSA-N	237.387	3.841	0	1	BHAF	
CC1=C(C)[C@@](C)(c2ccc(C=O)cc2)CC1	84726005	KIWINOWJHFHSJH-HNNXBMFYSA-N	214.308	3.887	0	1	BHAF	
CC1(C)C[C@H]2[C@@H](CC[C@]2(C)O)[C@]2(C)C[C@@H]2C1	85560174	LKSYOLUCMPBADN-OEMOEHNSSA-N	222.372	3.610	0	1	BHAF	
O=C(O)CCC[C@H]1CC[C@@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1	231930477	WWHSTYPFQBWANZ-JRDVARTBSA-N	248.366	3.560	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@H](C(C)(C)O)[C@H]2CC1	2356800126	PRVRRGSDUZXLHX-GZBFAFLISA-N	222.372	3.920	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C)CCC[C@@]2(O)C1	100781837	FUQAYSQLAOJBBC-DDHJSBNISA-N	222.372	3.754	0	1	BHAF	endogenous,in-man
CC[C@]1(C)C[C@@H]1c1nc2ccc(C(C)=O)cc2[nH]1	586890928	PXNSJNNEVIAEMH-IAQYHMDHSA-N	242.322	3.669	0	1	BHAF	
CC1=C2C=C([C@@H](O)C(C)C)C[C@@]2(C)CCC1	2356493472	UOVORXZPBDGJCT-LSDHHAIUSA-N	220.356	3.840	0	1	BHAF	
Cc1ccc2c(c1)/C(=C/c1cccnc1)CC2	13610804	INXZXCKRUCKCJE-XNTDXEJSSA-N	221.303	3.877	0	1	BHAF	in-vivo
CC1(C)C[C@@H]2[C@@H]3C[C@](C)(CCC3=O)CC[C@H]21	100042798	JLZBTPJKBKNFEG-ZAZJYDDPSA-N	220.356	3.818	0	1	BHAF	biogenic,in-vitro
CC[C@@H]1C[C@@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	100805917	OWBORVXXMMDEAN-JSQNDZKTSA-N	243.394	3.619	0	1	BHAF	
Cc1coc2c1[C@H](O)[C@]1(C)[C@@H](C)CCC[C@H]1C2	257378315	ANKFPIBCTISOBX-LWWSYDQCSA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
CC(C)[C@H]1Cc2nc3cccc4c3c(c21)CC4	587215705	SGTFDRYGINOKJP-GFCCVEGCSA-N	223.319	3.629	0	1	BHAF	
CC(C)Cc1cc(O)c(C2CCCCC2)c(O)n1	653779732	UVYNQDWBAVFXJK-UHFFFAOYSA-N	249.354	3.739	0	1	BHAF	
CC/C=C/c1c(C)cc(C)c2[n+]1C[C@@H](C)C=C2	1911575458	KUSMJQIDCYEYKM-SYTKJHMZSA-N	228.359	3.677	0	1	BHAF	
C[C@H]1CC[C@@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C	15265229	JSCBEOXFGCAOKV-CYDGBPFRSA-N	222.372	3.776	0	1	BHAF	
c1ccc(-c2ccc3c(c2)C[C@H]2CNC[C@@H]3C2)cc1	28472334	MDGLXPGRXDKFKE-DYVFJYSZSA-N	249.357	3.603	0	1	BHAF	
CN[C@@]12CC=CC[C@H]1C[C@@H](C)c1ccccc12	29567665	DYWTYZQHULDNCR-WWGRRREGSA-N	227.351	3.575	0	1	BHAF	
CC(=O)[C@@H]1CCC(C)=C2CC=C(C)[C@H]2C1	33830837	RLXMQOKUFPBVGV-TZMCWYRMSA-N	204.313	3.658	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(F)c(F)cc2[nH]1	586893454	XYXDGPBHXWAHGI-CPFSXVBKSA-N	236.265	3.745	0	1	BHAF	
CC(=C[C@@H]1CC[C@@H](C)[C@H]2CCC(C)=C12)CO	2356381379	KIQXKOUFPHTUQS-KWCYVHTRSA-N	220.356	3.698	0	1	BHAF	
CC1(C)CC[C@](C)([C@]23CC[C@](C)(O)[C@@H]2C3)C1	2356402480	ICNMPYNAXDDQCA-MXAVVETBSA-N	222.372	3.754	0	1	BHAF	
CC1=C[C@H]2[C@@H](O)[C@@](C)(CCCC2(C)C)CC1	2356598539	TWQNTLGPLUWKGL-GUTXKFCHSA-N	222.372	3.920	0	1	BHAF	
O=C(Nc1ccc(Cl)cc1)C1[C@H]2CCCC[C@@H]12	17836342	RTUBZGXBNCXVSA-FUNVUKJBSA-N	249.741	3.715	0	1	BHAF	
Oc1cccc(/C=C/c2ccc(F)c(F)c2)c1	28127027	WCDKKNOOJDZLBV-SNAWJCMRSA-N	232.229	3.841	0	1	BHAF	
CC(C)n1nc2cc1Oc1ccc(F)cc1-2	587874459	BMQCHCNBGKSQSG-UHFFFAOYSA-N	218.231	3.376	0	1	BHAF	
CC1=C(CO)C[C@]2(C)CC[C@H](C)[C@H](C)[C@@]12C	2356387934	LQSXQOJTPQIGMH-GVARAGBVSA-N	222.372	3.778	0	1	BHAF	
c1cnc2c(-c3cccc4nccn34)cccc2c1	61904755	QRBOAERJEWZJEN-UHFFFAOYSA-N	245.285	3.550	0	3	BHAF	
C[C@@H]1Cc2ccccc2C=C1c1cccnc1	13684522	ARDWAGDGUKXSPH-GFCCVEGCSA-N	221.303	3.814	0	1	BHAF	in-vivo
CCN[C@]12CCCC[C@@H]1Cc1c(C)cccc12	27721547	XWOSLZNZXCPJMK-CZUORRHYSA-N	229.367	3.546	0	1	BHAF	
CC1=C[C@@]2(C)CCC[C@]23[C@@H](C)CC(=O)[C@]13C	59778937	RRCHUAUWSLVPRW-PUPMMZHASA-N	218.340	3.738	0	1	BHAF	
C/C=C/c1ccc(OC(=O)[C@@H](C)CC)cc1	95914561	QVAWDXCSFUFEAT-MALLOTDXSA-N	218.296	3.671	0	1	BHAF	biogenic,in-vitro
CCc1nc(-c2ccoc2)c2sccc2n1	29048167	XVRNMWQROQLUBA-UHFFFAOYSA-N	230.292	3.514	0	1	BHAF	in-vivo
C[C@@H]1CC[C@@H]2[C@@H]3[C@@](C)(CC[C@]13O)CC2(C)C	34361069	ABEFZRUFMKMACI-FPVZYODXSA-N	222.372	3.610	0	1	BHAF	
Clc1ccc(C2=NO[C@@H]3CCCC[C@@H]23)cc1	95576128	ZYHKMKIXWVUVFF-VXGBXAGGSA-N	235.714	3.633	0	1	BHAF	
Fc1cccc2c1CC/C2=C/c1cccnc1	100056330	JKDSUQNXZNYUED-XFXZXTDPSA-N	225.266	3.708	0	1	BHAF	in-vivo
C/C=C(C)/C=C(\C)c1oc(OC)c(C)c(=O)c1C	207921714	IDTMJMBDTGUTDU-FIFLTTCUSA-N	248.322	3.635	0	1	BHAF	
C[C@@H]1CCC[C@](C)(O)C[C@H]2[C@@H](CC1)C2(C)C	2356732841	ACQCKSNSPHLAFM-CXTNEJHOSA-N	224.388	4.000	0	1	BHAF	
CC1=CC[C@H](O)[C@]2(C)CC[C@@H](C(C)C)C=C12	15206778	WTUMCHHLAJTPSA-VHDGCEQUSA-N	220.356	3.696	0	1	BHAF	biogenic
CC(C)=CCC/C(C)=C/CC/C(C)=C/C(N)=O	27990213	PIHKEQFAZPGFSS-IJFRVEDASA-N	235.371	3.891	0	1	BHAF	
CC1=C2CCC(C(=O)O)=C[C@H]2[C@H](C(C)C)CC1	31159328	DXZHOOZGLCRBGL-JSGCOSHPSA-N	234.339	3.790	0	1	BHAF	
C[C@@H]1CC[C@]23[C@H]1CC[C@@]2(C)C[C@@](C)(O)[C@@H]3C	34416208	SNSNYEAITDGGIF-DBWOOVFOSA-N	222.372	3.610	0	1	BHAF	
C/C=C\c1cc(OC)ccc1OC(=O)/C(C)=C\C	95913564	MPNCRMMIYXNVQM-JMPJYAQRSA-N	246.306	3.600	0	1	BHAF	biogenic,in-vitro
Oc1ccc2c(c1)SC=C(c1ccccc1)O2	169334460	CKSOFTOOHLLOMM-UHFFFAOYSA-N	242.299	3.875	0	1	BHAF	
CC1=C[C@@H]2OC(C)(C)[C@@H]3CC[C@H](C)[C@]23CC1	257453447	JGKMDLIITSKWAD-ABHRYQDASA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
CN(C)C[C@H]1C2CCC(CC2)[C@@H]1c1ccccc1	2004867	XQGAMWDOCIXVRB-KMZOKZLKSA-N	243.394	3.768	0	1	BHAF	
Clc1ccc2cc(-c3ccncc3)cnc2c1	3832246	WMECTFBVYBAOOF-UHFFFAOYSA-N	240.693	3.950	0	1	BHAF	in-vivo
CC(C)[C@H]1CC[C@@H](C)C2=CC[C@@](C)(NC=O)C[C@H]21	14559138	OZDCCYQQEMKOSA-LUYZLQTOSA-N	249.398	3.530	0	1	BHAF	biogenic
CC1=C2CCC(C(=O)O)=C[C@@H]2[C@@H](C(C)C)CC1	31159337	DXZHOOZGLCRBGL-TZMCWYRMSA-N	234.339	3.790	0	1	BHAF	
Cc1onc([C@H]2CCCO2)c1-c1ccccc1	96909040	OKEGSNSUTGIFHV-GFCCVEGCSA-N	229.279	3.502	0	1	BHAF	
C[C@@]12N[C@H](CC3=C1CCCC3)[C@@H]1CCCC[C@@H]12	195150083	YGTVUMWZFUCODU-SLBVQIDZSA-N	231.383	3.798	0	1	BHAF	
CC1(C)[C@@H]2CC[C@@]3(C)O[C@]4(C)CC[C@@H]3[C@@H]4[C@@H]21	2356477137	XMYINGMBVGGPBQ-XZSFVTMWSA-N	220.356	3.626	0	1	BHAF	
C[C@H]1CC[C@H]2C(C)(C)C[C@@]3(C)CC[C@@H]1[C@@]23O	14679247	ZCRYDCBITZERMT-JQPXUNLUSA-N	222.372	3.610	0	1	BHAF	
C(=C/c1cncnc1-c1ccco1)\c1ccccc1	169327634	MHONRMDDOBZALO-CMDGGOBGSA-N	248.285	3.907	0	1	BHAF	
CCCN1CCC[C@H]([C@H]2CCC[C@H](C)C2)C1	261136735	MFQJGOGNSWZAMY-KKUMJFAQSA-N	223.404	3.935	0	1	BHAF	
CC1(C)[C@H]2CC[C@]1(C)[C@H](NCc1ccccc1)C2	3637939	RDMPEKVKUMKCOW-ZMSDIMECSA-N	243.394	3.991	0	1	BHAF	
CC1=CCC2=C(C)C(=O)O[C@@H](C2)C(C)=CCC1	3652089	WQSQTKXRQDVOIO-AWEZNQCLSA-N	232.323	3.695	0	1	BHAF	biogenic
CC1=C2CC[C@H](C)[C@@H]2C[C@H](C(C)(C)O)CC1	6037459	LGOFSGDSFQNIAT-SCRDCRAPSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
c1ccc([C@]2(N3CCCCC3)CC[C@H]3C[C@H]32)cc1	13731065	QWQBIGYOFYXHMI-USXIJHARSA-N	241.378	3.798	0	1	BHAF	
CCC1=CCCC(C)(C)[C@]12C=C[C@@H](C)O2	38634844	NHJSLVJXXDHDRV-RISCZKNCSA-N	206.329	3.857	0	1	BHAF	endogenous,in-man
c1ccc2c(c1)[nH]c1nccc(NCC3CC3)c12	40428755	VWDKRGFZIDBQSY-UHFFFAOYSA-N	237.306	3.538	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@@]12CC[C@]3(C)O	100194192	SVURIXNDRWRAFU-MUGBGTHKSA-N	222.372	3.610	0	1	BHAF	in-vitro
CC[C@@]1(C)C[C@H]1c1nc2cc(OC)c(F)cc2[nH]1	586891606	SDBGMFARNBJHAY-RTHLEPHNSA-N	248.301	3.614	0	1	BHAF	
C[C@@H]1CC[C@H]2[C@@H](C=CC(=O)O)[C@@H](C)C=C[C@@H]2C1	2356620422	RUEMHNNYLHGNMT-XHJNMGKDSA-N	234.339	3.502	0	1	BHAF	
CC1=C[C@@H]2[C@H](CCC(C)=CCC1)[C@@]2(C)C(=O)O	2356645937	KEEBORUBZJYTIL-GZBFAFLISA-N	234.339	3.790	0	1	BHAF	
CC1(C)CC=C[C@]23C=Cc4occc4[C@@H]2[C@@H]13	2356669382	ZMTRKLHXJVZION-IPYPFGDCSA-N	212.292	3.992	0	1	BHAF	
CCCCCC[C@@H]1C[C@@H]1CCCC(=O)O	2356795959	MQWFOICQHNOBOJ-NEPJUHHUSA-N	212.333	3.848	0	1	BHAF	
C[C@H](CCC[C@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O	100783142	GDGGAJNITUJKMP-AUISJLQISA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
CC(C)CCCCCCCCCCNC(N)=O	146479802	OYQLXDCDTCVBIJ-UHFFFAOYSA-N	242.407	3.822	0	1	BHAF	
CC1=C2[C@@H](O)C[C@@H](C)[C@@]23CC[C@@H](C3)C1(C)C	2356580665	ZRRTYQUKAJCICD-ZFVXVEAMSA-N	220.356	3.530	0	1	BHAF	
CCCCCC[C@H]1C[C@@H]1CCCC(=O)O	2356795961	MQWFOICQHNOBOJ-RYUDHWBXSA-N	212.333	3.848	0	1	BHAF	
CC1=Nc2ccccc2N[C@@H](c2ccoc2)C1	5499104	ONXPPDDQLOKPDH-CQSZACIVSA-N	226.279	3.929	0	1	BHAF	
COc1ccc2cc(-c3cccnc3)ccc2c1	13674448	DCVWYSMRLGKIJB-UHFFFAOYSA-N	235.286	3.910	0	1	BHAF	in-vivo
c1ccc2c3c(oc2c1)[C@H]1CCCCN1CC3	27732383	WVLAAGBGTBJXIQ-CYBMUJFWSA-N	227.307	3.516	0	1	BHAF	
CC(C)=C[C@H]1[C@@H](C)CC[C@@H]2[C@@H](C)CC[C@@]12O	140221850	QGALFKRHZSPTEG-RMEBNNNOSA-N	222.372	3.776	0	1	BHAF	
CCC=Cc1cc(C)ccc1CCCC(=O)O	2356341489	QLSZHTQEXMIBCY-UHFFFAOYSA-N	232.323	3.826	0	1	BHAF	
CN1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	28100186	UYZFMKFDDXFPRN-LLVKDONJSA-N	230.138	3.760	0	1	BHAF	
CC(C)(C)c1cccc2c1OCC2(C)C	36448692	XPMZKMOUKYQSPE-UHFFFAOYSA-N	204.313	3.654	0	1	BHAF	
COc1ccc2c(c1)[nH]c1cc(OC)c(C)cc12	38327792	RKKUHIFZWJDYRV-UHFFFAOYSA-N	241.290	3.647	0	1	BHAF	
CCCC[C@@H](CC)c1nc2ccccc2c(=O)[nH]1	72170882	DAQXBHJQHGIETF-LLVKDONJSA-N	244.338	3.607	0	1	BHAF	
CCCCn1ccc2c3ccccc3nc-2c1	377819951	UTRCGHTYRPCZEL-UHFFFAOYSA-N	224.307	3.941	0	1	BHAF	
CC(C)c1[nH]c2cc(F)ccc2c1-n1cccn1	587636274	UPWZLNDDVVBTKC-UHFFFAOYSA-N	243.285	3.616	0	1	BHAF	
Cc1cccnc1-c1[nH]c2cc(F)ccc2c1C	587636730	GFJVRYRCPMHGHR-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
COC(=O)[C@@H](C)CCC[C@@]1(C)C[C@H]2CC[C@H]1C2	2356573273	HURCCZSSOPDIHO-ABHRYQDASA-N	238.371	3.792	0	1	BHAF	
CC(C)CCC[C@@]1(C)OC(=O)c2cc(O)ccc21	2356718782	GPIRSXJJDGTHNR-OAHLLOKOSA-N	248.322	3.604	0	1	BHAF	
CC[C@@H](C)C[C@@H](C)C=C(C)C=CC(=O)O	2356720029	OILLDIIQDQVGSY-ZYHUDNBSSA-N	210.317	3.646	0	1	BHAF	
Cc1noc(C)c1[C@H](C)C1=CCCCC1	203472054	IFWWLGMLCFABDX-SECBINFHSA-N	205.301	3.895	0	3	BHAF	
CC1=CC[C@]2(O)[C@H](C)CCC(=C(C)C)[C@H]2C1	13381156	VXQLDLRZLVFYFR-YUELXQCFSA-N	220.356	3.840	0	1	BHAF	biogenic
CCC[C@H]1CCC2(CC[C@H](CCC)O2)O1	15122096	LPKNCNDPYXUXOL-VYAYZGMFSA-N	212.333	3.641	0	1	BHAF	biogenic
CCCCC[C@@H](O)CC(=O)CCc1ccccc1	73197512	KSQWYVJTNHTCLR-OAHLLOKOSA-N	248.366	3.520	0	1	BHAF	
CC[C@@H](C)C(=O)OCC1=CCC(C)(C)C[C@@H]1C	2356784850	QKMIUXCKXORDBW-NEPJUHHUSA-N	238.371	3.958	0	1	BHAF	
C=C1C=C[C@H]([C@@H](C)CCC=C(C)C)C[C@@H]1O	13377628	UNSGLJWOHGSVLW-QEJZJMRPSA-N	220.356	3.862	0	1	BHAF	biogenic
CC1(C)CCC[C@]2(C)CC=C(C(=O)O)[C@H]3C[C@@]312	14766743	QATLFHOGPLMQHU-KCPJHIHWSA-N	234.339	3.624	0	1	BHAF	biogenic
CCCCCCc1ccc(C(=O)CF)cc1	14969059	WVXBETPXOHTEOO-UHFFFAOYSA-N	222.303	3.962	0	1	BHAF	
C/C1=C\CC[C@@H](C)[C@@H](O)[C@@H]2[C@H](CC1)C2(C)C	154302450	OAQDRZLZSMKKDK-ZBKBPRFUSA-N	222.372	3.776	0	1	BHAF	
C[C@@H]1Cc2nc3cccc4c3c(c2C[C@H]1C)CC4	587215768	UWLPCEPHERCUSV-GHMZBOCLSA-N	237.346	3.704	0	1	BHAF	
CCCN1CCC[C@H]([C@@H]2CCCC[C@@H]2C)C1	13492915	YTVFAAGYKMNQLX-SOUVJXGZSA-N	223.404	3.935	0	1	BHAF	
CCCCc1sc(-c2ccccc2)nc1O	13822587	ASOLFODTRRSWOB-UHFFFAOYSA-N	233.336	3.858	0	1	BHAF	
Cc1cccc2c1CN(C)C[C@H]2c1ccccc1	95562346	SUYOCKAQLJWIGF-KRWDZBQOSA-N	237.346	3.572	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@H]3CC[C@@H]([C@@H]3C1)[C@H]2CO	103204443	FUMSNMATQPPKKU-GRYWWWGRSA-N	236.399	3.857	0	1	BHAF	
CCOc1ccccc1[C@H]1CC[C@H]2CCCCN21	26727988	LWZQHZRPZIEDCI-UKRRQHHQSA-N	245.366	3.775	0	1	BHAF	
Fc1ccc2cc(/C=C\c3ccncc3)[nH]c2c1	48308925	MUKKWDLWOVITST-RJRFIUFISA-N	238.265	3.872	0	1	BHAF	
Clc1cccc2ccc(-c3ccncc3)nc12	95575601	GZGPLLQZNCEPHF-UHFFFAOYSA-N	240.693	3.950	0	1	BHAF	
Nc1c2c(nc3ccc(Cl)cc13)[C@H]1CC[C@H]2C1	100993800	LIQUTBYXLQJUQH-YUMQZZPRSA-N	244.725	3.835	0	1	BHAF	
C[C@@H]1CCC/C=C/C/C=C\CCCC(=O)O1	154716984	JSZKXZJGTWVDOI-XHDMAJKUSA-N	222.328	3.775	0	1	BHAF	
CCCc1cn(C/C=C(/C)CCC=C(C)C)nn1	1857655475	FELSWQRLUPUYEB-UVTDQMKNSA-N	247.386	3.923	0	1	BHAF	
NCCCCCCCCCCc1ccccn1	13531718	NTZJIQAKZMLDFO-UHFFFAOYSA-N	234.387	3.704	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@@H]2C[C@@H]1O	2356600211	DMKWBQROHUFGFK-HPEDKQMDSA-N	220.356	3.696	0	1	BHAF	
CC(C)C1=C2CC[C@@H](CO)CC[C@@]2(C)CC1	13432653	RVCIHQWCEFELJN-DOMZBBRYSA-N	222.372	3.922	0	1	BHAF	biogenic
CN1[C@H]2CCc3ccccc3[C@@H]1c1ccccc12	27881142	UBLNRDNAFCSEDA-DLBZAZTESA-N	235.330	3.709	0	1	BHAF	
Nc1ccc2cccc(OC3CCCCC3)c2n1	28370315	MPHNEJNPZMBSBN-UHFFFAOYSA-N	242.322	3.529	0	1	BHAF	in-vivo
CC1=C[C@@H]2OC(C)(C)[C@@H]3CC[C@H](C)[C@@]23CC1	85666899	JGKMDLIITSKWAD-PWNZVWSESA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
CC1=C[C@H]2[C@H](O)[C@](C)(CCCC2(C)C)CC1	238731399	TWQNTLGPLUWKGL-KCQAQPDRSA-N	222.372	3.920	0	1	BHAF	
CC/C=C\C=C/C=C\C=C/CCCCO	238738065	BLTWGWDMUNKAIK-WKSFOPBCSA-N	206.329	3.784	0	1	BHAF	
CCC1(CC)C[C@@](C)(O)[C@@H]2CC[C@@H](C)C[C@@H]2O1	1857751353	HQPZGNJDBPSDMI-YIYPIFLZSA-N	240.387	3.521	0	1	BHAF	
CC1(C)CCCC2=C[C@H](CO)C(C)(C)[C@@]21C	2356495849	HPLQGFVYWQGCAW-DOMZBBRYSA-N	222.372	3.778	0	1	BHAF	
CCCCCC=CC=CC=CC(=O)N1CCCC1	2356761476	JWOSQNYJGWMFTO-UHFFFAOYSA-N	247.382	3.858	0	1	BHAF	
C[C@@H](CCN(C)C)c1cccc2ccccc12	2013205	VSHCVDNCTJJPDK-ZDUSSCGKSA-N	227.351	3.895	0	1	BHAF	
CCCC[C@H]1CCC[C@@]2(CC[C@H](C)O2)O1	13380550	YJXRBYWOYOXYFN-AVGNSLFASA-N	212.333	3.641	0	1	BHAF	
Cc1cc2c(cc1O)CCC[C@H]2C(C)C	14724172	CZKLJNQQXWVVGP-LBPRGKRZSA-N	204.313	3.777	0	1	BHAF	biogenic
Oc1ccc(-c2cc3cccc4ccc2n43)cc1	26469515	LCEPYIFGJXRMJI-UHFFFAOYSA-N	233.270	3.903	0	1	BHAF	
C/C1=C\CCC2=C[C@@H](C/C(C)=C/CC1)OC2=O	33829783	JOQILOMKLDOWGX-NLHFMICRSA-N	232.323	3.695	0	1	BHAF	
Clc1cccc(C2=NCCc3ccccc32)c1	34522252	JIDXPKFIJYLMNM-UHFFFAOYSA-N	241.721	3.734	0	1	BHAF	
C[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1	35090364	BMRJUXFHOOHDBF-GWCFXTLKSA-N	223.747	3.586	0	1	BHAF	in-vivo
CC(C)(C)c1[nH]c2cc(Cl)c(F)cc2c1N	587631392	KUFZFCHGIVXGPA-UHFFFAOYSA-N	240.709	3.840	0	1	BHAF	
c1ccc(-c2ccc(-c3ccccn3)s2)nc1	133361	NIJMGWPTVYSTCQ-UHFFFAOYSA-N	238.315	3.872	0	3	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)C[C@@]3(C)CC[C@@H]1[C@@]23O	14679245	ZCRYDCBITZERMT-CYHVGBIXSA-N	222.372	3.610	0	1	BHAF	
CC[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1	587215905	WOCLOEBHORYWFQ-LLVKDONJSA-N	237.346	3.848	0	1	BHAF	
CO[C@]1(C)CCc2c(C)cc3occ(C)c3c2C1	2356462552	WVCUCIZNNPDGAN-MRXNPFEDSA-N	244.334	3.943	0	1	BHAF	
CC1=CCC[C@H](C)[C@H](O)[C@@H]2[C@H](CC1)C2(C)C	2356580310	OAQDRZLZSMKKDK-XUXIUFHCSA-N	222.372	3.776	0	1	BHAF	
CC1=C2C[C@@H](C=CC(=O)O)CC[C@]2(C)CCC1	2356670802	CFUISBDJXHZKJK-WFASDCNBSA-N	234.339	3.934	0	1	BHAF	
Cc1ccc([C@@H](C)Cc2cc(C=O)co2)cc1	15222317	GLXQKYBTMUEFDJ-LBPRGKRZSA-N	228.291	3.747	0	1	BHAF	biogenic
CSc1ccc([C@H]2CCCn3cncc32)cc1	43169790	FOSAVCHDPGYBHT-CYBMUJFWSA-N	244.363	3.531	0	1	BHAF	
O=C(OC1CCCCCCC1)c1ccc(O)cc1	89464628	XQMNFJGZVWKSEO-UHFFFAOYSA-N	248.322	3.662	0	1	BHAF	
CC1=C2C[C@H](C(C)C)C[C@@H](O)[C@@]2(C)CCC1	2356475284	WWULHQLTPGKDAM-CFVMTHIKSA-N	222.372	3.920	0	1	BHAF	
CC1=CC[C@@H]2[C@H](CO)CC[C@H](C(C)C)[C@H]2C1	2356759363	ISYMMRJPYSWIPM-GBJTYRQASA-N	222.372	3.633	0	1	BHAF	
CN(C)[C@]12CCCC[C@H]1CCc1ccccc12	13831967	CRRGPBAEOBRTMN-GOEBONIOSA-N	229.367	3.580	0	1	BHAF	
CCCC[C@@H]1CCC[C@]2(CC[C@@H](C)O2)O1	14917066	YJXRBYWOYOXYFN-JHJVBQTASA-N	212.333	3.641	0	1	BHAF	
COc1ccc2oc(Nc3ccccc3)nc2c1	35282021	PZJKFSCOZOTZRO-UHFFFAOYSA-N	240.262	3.580	0	1	BHAF	in-vivo
CC(C)[C@H]1CC[C@@H](C)C2=CC[C@](C)(N)C[C@@H]21	199667977	AWCUDJMPDGKNIP-GBOPCIDUSA-N	221.388	3.742	0	1	BHAF	
CCCCCC(=O)[C@@H]1C[C@H]2C=C(C)[C@H]1C2	2356512774	DODAHWXKYGJIBN-YNEHKIRRSA-N	206.329	3.738	0	1	BHAF	
CC1=C2C(C)(C)[C@@H](CO)C[C@@]2(C)CC[C@H]1C	2356770638	CUFZOTYNOCYVBK-IXPVHAAZSA-N	222.372	3.778	0	1	BHAF	
Cc1c(O)cc(C(C)C)c2c1C(=O)C(C)(C)C2	14679470	PXPLKAZFXQCPKW-UHFFFAOYSA-N	232.323	3.589	0	1	BHAF	biogenic
CCCN1CCC[C@@]2(c3ccccc3)CC[C@@H]1C2	29247135	DVNGCJDPAPEETC-IAGOWNOFSA-N	243.394	3.983	0	1	BHAF	
CC1=C[C@@](C)(CO)[C@@]23CCC[C@@]12[C@@H](C)CC3	86053114	PKIVAOLKVPUUIW-CYUUQNCZSA-N	220.356	3.532	0	1	BHAF	
CCCC/C=C\c1nc2cc(Cl)ncc2[nH]1	587964783	CFODKSXZMDZOGP-WAYWQWQTSA-N	235.718	3.815	0	1	BHAF	
Cc1coc2c1[C@@H]1CC(=O)[C@@H]3CCC[C@@H](C2)[C@@]31C	2356557318	JQJNCXMUXHAAPZ-YWDSYVAPSA-N	244.334	3.623	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@]3(C)O[C@H](C1)[C@@H]23	2356705753	CJPKEQVKLSZFCR-JARUQAPTSA-N	220.356	3.792	0	1	BHAF	
CC1=CC(C)=CN(Cc2cccc(C)c2)[CH]1	2356849075	JDFZGQNFSLWEDZ-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@]1(C)CCC[C@]2(O)C1	100067605	FUQAYSQLAOJBBC-NEBZKDRISA-N	222.372	3.754	0	3	BHAF	in-man
c1c[nH]c(-c2nccc3c2[nH]c2ccccc23)c1	29335569	XSYQJIZINOUDHV-UHFFFAOYSA-N	233.274	3.711	0	1	BHAF	
[O-][N+]1=Cc2cc(Cl)ccc2CC12CCCCC2	34084012	KYFIGHHKMVEDPA-UHFFFAOYSA-N	249.741	3.528	0	1	BHAF	
Cc1ccc(CCCCN2CCCCC2)cc1	45255217	ZJZNOPQUDXUEDU-UHFFFAOYSA-N	231.383	3.804	0	1	BHAF	in-vivo
CC(=O)NC(=CC1CCCCC1)c1ccccc1	2356443207	DLKSLTMFWLXOFO-UHFFFAOYSA-N	243.350	3.744	0	1	BHAF	
CC(C)=C[C@H]1C[C@@]2(C)CC[C@@](c3ccoc3)(O1)O2	15200375	RQMUCZNIXXHSAS-RRFJBIMHSA-N	248.322	3.757	0	1	BHAF	biogenic
CC[C@@]1(C)C[C@H]1c1nc2cccc(C)c2[nH]1	586886788	DBQWZEVMAGLAOV-HZMBPMFUSA-N	214.312	3.775	0	1	BHAF	
CCCC/C=C\c1nc2ccc(OC)cc2[nH]1	587966479	UYPYDLDMQRNRQY-SREVYHEPSA-N	230.311	3.775	0	1	BHAF	
CC(C)c1ccc([C@H]2NN=C3CCC[C@@H]32)cc1	1857571029	YJVCDFQEAWAOCJ-DZGCQCFKSA-N	228.339	3.610	0	1	BHAF	
COc1ccc2c(c1)CC/C2=C\c1ccncc1	13610833	VDGYNVYFCLIMOF-JLHYYAGUSA-N	237.302	3.577	0	1	BHAF	in-vivo
CC1=CCC[C@H](C)[C@]12CC[C@](O)(C(C)C)C2	14714063	PDFMGMLJJHVTMM-SOUVJXGZSA-N	222.372	3.920	0	1	BHAF	biogenic
CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C	100044902	MPYYVGIJHREDBO-HUBLWGQQSA-N	238.371	3.791	0	1	BHAF	in-vitro
CCC=C(C)C=C(C)c1oc(=O)cc(OC)c1C	2356400908	NJJGGWCOUXPRPO-UHFFFAOYSA-N	248.322	3.716	0	1	BHAF	
CC1=CC[C@@H]2[C@@H]1C[C@H](C(C)C)CC[C@]2(C)O	2356751850	QVIBTAJDNXPTIG-TUVASFSCSA-N	222.372	3.776	0	1	BHAF	
CCCCCC[C@H](C)C[C@@H](C)C=CC(N)=O	2356809762	ASWIDATXPVRDFO-STQMWFEESA-N	225.376	3.661	0	1	BHAF	
C[C]1C=CN(Cc2ccc(F)cc2)C=C1C	2356852372	ANSWHGMDOKVTAO-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]1CC[C@]1(C)CCC[C@]2(O)C1	100067608	FUQAYSQLAOJBBC-UXOAXIEHSA-N	222.372	3.754	0	3	BHAF	in-man
C=C1CC=CC(C)(C)[C@@]12CC[C@@H](C)C(=O)C2	13385396	ZYEPHLBHZCRIHX-IAQYHMDHSA-N	218.340	3.904	0	1	BHAF	biogenic
Cc1cc(O)c([C@]2(C)CCCC2(C)C)cc1O	13412328	GDVVPXPJALHXQC-HNNXBMFYSA-N	234.339	3.874	0	1	BHAF	biogenic
C[C@@]12N[C@H](C[C@@H]3CCCC[C@@H]31)[C@@H]1CCCC[C@H]12	253632487	FHRWBXVLMJUUQU-LFTMDZKFSA-N	233.399	3.733	0	1	BHAF	
CC[C@H](C)C[C@@H]1NCCc2c1sc(C)c2C	963021609	JWLJSGXTLNXQAA-ZANVPECISA-N	237.412	3.988	0	1	BHAF	
Oc1ccc(-c2ccc3ccc(O)cc3c2)cc1	13645002	NSCZTZNRMFWAIY-UHFFFAOYSA-N	236.270	3.918	0	1	BHAF	in-vivo
Cc1cccc2ccn(CCC(C)C)c12	27520047	GIJQVCQKPVHJBG-UHFFFAOYSA-N	201.313	3.996	0	1	BHAF	
COc1ccc(/C=C\c2ccccc2OC)cc1	28712367	JWDKGOAVRJBMNS-YFHOEESVSA-N	240.302	3.874	0	1	BHAF	
CC1(C)CCC[C@@]1(C)[C@@H]1C=C[C@@](C)(O)CC1	34597737	SGAVEYGCXUNESW-YUELXQCFSA-N	222.372	3.920	0	1	BHAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3C[C@@H]4[C@H]([C@@H]31)[C@]42C	100199766	XBWACJDEQIZTPR-YPYWCSBCSA-N	204.357	3.961	0	1	BHAF	in-vitro
C[C@@H]1[C@@H]2C[C@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C	100521181	BWVZAZPLUTUBKD-PMXAPFLYSA-N	236.399	3.856	0	1	BHAF	in-man
Fc1ccc(Oc2nccc3ccoc23)c(F)c1	169332148	WHCSBGLJMIAOLK-UHFFFAOYSA-N	247.200	3.898	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(C)c(F)cc2[nH]1	586888850	JVAQAHJSSZSBGN-OTYXRUKQSA-N	232.302	3.914	0	1	BHAF	
C[C@H]1Cc2c(nc3cccc4c3c2CC4)C[C@H]1C	587215774	UWLPCEPHERCUSV-WDEREUQCSA-N	237.346	3.704	0	1	BHAF	
C[C@@H]1C[C@H]2[C@@]3(O)CCC=C(CC3)CC[C@]12C	2356579504	AQWYRDGVUURYEI-NMFUWQPSSA-N	220.356	3.674	0	1	BHAF	
CC[C@H](C)CC[C@@H]1C=C[C@H]2CCC(=O)O[C@@H]2C1	2356833068	JXWFJNFXUQSKCJ-RFQIPJPRSA-N	236.355	3.711	0	1	BHAF	
Cc1ccc(C(C)C)c2cc(CO)ccc12	13381373	MDQDZODGOBYLIX-UHFFFAOYSA-N	214.308	3.764	0	1	BHAF	biogenic
CC(C)=CC/C=C1/C[C@@H](CO)C(C)(C)[C@@H]1C	36456706	NTDRGEQLNBGQNX-UILUVHTGSA-N	222.372	3.944	0	1	BHAF	
Oc1ccccc1N1CCC[C@@H]2CCCC[C@@H]21	66098644	GSVFSJBIDHVUJE-STQMWFEESA-N	231.339	3.551	0	1	BHAF	
CCC(CC)CCc1ccccc1OC(=O)NC	84653772	OLFDJCICGMJTBN-UHFFFAOYSA-N	249.354	3.774	0	1	BHAF	
C[C@@H]1CCC/C=C\C/C=C/CCCC(=O)O1	207325168	JSZKXZJGTWVDOI-GPSBZNINSA-N	222.328	3.775	0	1	BHAF	
C[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H]3[C@@H](C3(C)C)[C@]12C	2356628114	GYIFZGHOLFRCQN-SCQYSAAVSA-N	236.399	3.856	0	1	BHAF	
Cc1n[nH]cc1Nc1ccccc1C(C)C	72104538	XGJFFRKQDGSXCJ-UHFFFAOYSA-N	215.300	3.585	0	3	BHAF	
Fc1ccc(-c2[nH]ccc2-c2ccncc2)cc1	13445008	WJDBZZUDGFGXKR-UHFFFAOYSA-N	238.265	3.883	0	1	BHAF	
CC(C)=C1C=C2[C@H](C)CCC[C@@]2(C)C[C@H]1O	15207175	YJLHMADINKHPSO-DFBGVHRSSA-N	220.356	3.840	0	1	BHAF	biogenic
Cc1coc2c1C[C@@]1(C)[C@@H](C)CCC[C@H]1C2=O	15221000	KLLSQGNSOCVVAN-WBIUFABUSA-N	232.323	3.769	0	1	BHAF	
COc1ccccc1C1=Cc2ccccc2C1	28651126	APOFCYAJMPJCJI-UHFFFAOYSA-N	222.287	3.792	0	1	BHAF	in-vivo
CN[C@]12CCCC[C@@H]1C[C@@H](C)c1ccccc12	29571808	LATMEMFFKNJSDV-XJKCOSOUSA-N	229.367	3.799	0	1	BHAF	
Cc1cc2c(s1)CN(C)C[C@@H]2c1ccccc1	38157566	GNUBZKDKVVIDIW-CQSZACIVSA-N	243.375	3.634	0	1	BHAF	
Cc1ccc(-c2ccc3oc(=O)ccc3c2)cc1	66104169	RDVLNTDGXZRZLV-UHFFFAOYSA-N	236.270	3.768	0	1	BHAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2C=C[C@H](C)[C@H]2C1	238770459	POPRCLKXBLDRNY-JARUQAPTSA-N	222.372	3.632	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)CC[C@H]4C1CC1)CC2	587214973	GYYSNPAKGYXJQY-LBPRGKRZSA-N	235.330	3.773	0	1	BHAF	
C[C]1C=CC(C)=CN1Cc1ccc(F)cc1	2356821032	OTAYULZPBKQJCR-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
c1ccc(-c2cc3[nH]c4ccccc4c3nn2)cc1	14970089	URNLOOIGUNQTFL-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
C=C(C)[C@@H]1CC(=O)[C@@H]2CCC[C@@H](C)[C@]2(C)C1	15201159	MBCCYMFBPDSCIK-CXTNEJHOSA-N	220.356	3.984	0	1	BHAF	biogenic
CN(C)CCCc1ccc(-c2ccccc2)cc1	27301358	MLGZXISMAWUCNF-UHFFFAOYSA-N	239.362	3.848	0	1	BHAF	
Cn1ccc(-c2ccc(C(F)(F)F)cc2)c1	29131040	XRGROMWMFVQYPU-UHFFFAOYSA-N	225.213	3.711	0	1	BHAF	
CC1(C)C=C[C@]23CC[C@@H](O)[C@](C)(CC[C@@H]12)C3	34316865	ZNUVKYSTJRDOHT-MXYBEHONSA-N	220.356	3.530	0	1	BHAF	
CCCCCCOc1ccc2c(c1)CCC(=O)N2	96933880	VLUAMYSVXNMCME-UHFFFAOYSA-N	247.338	3.530	0	1	BHAF	
C[C@@H]1CC[C@@H]2[C@@]3(C)C[C@H]3CC(C)(C)C[C@]12O	140373305	KVFZUTBKAXAVDX-FPVZYODXSA-N	222.372	3.610	0	1	BHAF	
Oc1ccccc1-c1cc(-c2ccccc2)ncn1	755414	BWEINKKZUIHMKF-UHFFFAOYSA-N	248.285	3.516	0	1	BHAF	
Cc1cc2c(cc1O)[C@@H](C)CC(=O)[C@@H]2C(C)C	140283692	CVZKYHWWEFIPFX-BJOHPYRUSA-N	232.323	3.517	0	1	BHAF	
C[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[N@@]32	1857621872	CJSJQKUMMPPBMD-VSZNYVQBSA-N	233.314	3.570	0	1	BHAF	
CCOc1cc2c(c(C)c1OC)C=CC(C)(C)O2	5863210	DNCKBISYXNDIQS-UHFFFAOYSA-N	248.322	3.587	0	1	BHAF	
CCCN(CCC)[C@H]1CCc2ccsc2C1	13474742	SIPNIUHKEGJHLT-ZDUSSCGKSA-N	237.412	3.727	0	1	BHAF	
CCCC[C@H](C)CCC[C@H](C)C(=O)O	15119680	KATHYIVCSSJTDJ-QWRGUYRKSA-N	200.322	3.704	0	1	BHAF	biogenic
C[C@@H]1CC[C@]2(O)C1=CC(C)(C)C[C@H]1C[C@]12C	39040245	NPYWCGZXPHXONM-BVIHXZOGSA-N	220.356	3.530	0	1	BHAF	
C[C@@]12[C@H]3CCC[C@]1(C)[C@@H](C3)C1(CCCC1)[C@@H]2O	2356656052	ORPPLZUJDYELBH-JARUQAPTSA-N	234.383	3.754	0	1	BHAF	
CCC[C@@H](C)C[C@@H](C)C[C@H](C)C(=O)OC	138416136	NCJWARDEMBIBPL-UTUOFQBUSA-N	214.349	3.648	0	1	BHAF	
CC1(C)[C@H]2c3nc4cccc5c4c(c3C[C@H]21)CC5	587215265	KLODVKRAYXHGBO-IUODEOHRSA-N	235.330	3.629	0	1	BHAF	
C[C@@H]1CC[C@]2(O)[C@@H]1CC(C)(C)C[C@H]1C[C@]12C	2356422586	DWXUKGQAPQEPTH-OGMFBOKVSA-N	222.372	3.610	0	1	BHAF	
C[C@H]1CC[C@H]2[C@]3(C)C[C@@H]3CC(C)(C)C[C@@]12O	36405410	KVFZUTBKAXAVDX-JQPXUNLUSA-N	222.372	3.610	0	1	BHAF	
CC[C@H](C)[C@@H]1C[C@@H](Cc2ccccc2)SC1=O	13737346	BGCYZMXAVKUSEX-YUTCNCBUSA-N	248.391	3.924	0	1	BHAF	
Clc1cccc(-n2cnc3ccccc32)c1	13782565	PPYWUMHDJBIKTG-UHFFFAOYSA-N	228.682	3.679	0	1	BHAF	
CN1Cc2ccccc2[C@@]12CCCc1ccccc12	27653589	HYFVRZKFSQTURB-SFHVURJKSA-N	249.357	3.712	0	1	BHAF	
CCc1cc(O)c(Oc2ccccc2)cc1F	95578192	RWRIQZXRBWGUCK-UHFFFAOYSA-N	232.254	3.886	0	1	BHAF	
CCc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	587966863	HJBKOKAVQVWSFL-YNEHKIRRSA-N	238.334	3.805	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC1)[C@](C)(O)CCC2(C)C	2356713211	BOBTWVZHSPRDFC-YRGRVCCFSA-N	208.345	3.530	0	1	BHAF	
CC1=C[C@@H]2[C@@H](C(C)C)CC[C@](C)(O)[C@@H]2CC1	33952851	LHYHMMRYTDARSZ-TUVASFSCSA-N	222.372	3.776	0	1	BHAF	
c1ccc2c(c1)CC[C@H]1[C@@H](c3ccncc3)[C@H]21	100025714	KNIGVLQBCXKAGG-ARFHVFGLSA-N	221.303	3.525	0	1	BHAF	
CCC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12	100649351	FYZYJIPHMYDLKT-ROUUACIJSA-N	249.357	3.931	0	1	BHAF	
C/C1=C\C[C@@H]2[C@H](C)C(=O)O[C@@H]2C/C(C)=C/CC1	238783870	QJRFOUJEGHRZIU-SYERTPJMSA-N	234.339	3.631	0	1	BHAF	
CC(C)(C)c1ccc2nc(CC3CC3)[nH]c2c1	587959412	MXCDUPFQRJCPOA-UHFFFAOYSA-N	228.339	3.813	0	1	BHAF	
Oc1ccc2cc(-c3ccccc3O)ccc2c1	13644993	SMFVAKMYNVSVKJ-UHFFFAOYSA-N	236.270	3.918	0	1	BHAF	in-vivo
CC1=CC(=O)[C@@]23[C@@H](C)CC[C@@H](C[C@H]12)C3(C)C	14637897	BSDFKVHDDFHAFR-UUIJZJDISA-N	218.340	3.594	0	1	BHAF	biogenic
Oc1c(Cc2ccncc2)ccc2ccccc12	27194159	VMEXOJDBHGJJSS-UHFFFAOYSA-N	235.286	3.531	0	1	BHAF	
CCCN(CCC)C[C@@H]1C[C@@H]1c1ccccc1O	27418161	DXKCTJPTMVWVMM-ZFWWWQNUSA-N	247.382	3.618	0	1	BHAF	
C/C=C/c1nc2ccccc2n2cccc12	28639854	GJGWJLIZBVKYPA-QHHAFSJGSA-N	208.264	3.521	0	1	BHAF	
[C-]#[N+]c1ccccc1/C=C/c1ccccn1	473116575	XAWGEULMKQXIDS-MDZDMXLPSA-N	206.248	3.803	0	1	BHAF	
CCCCCc1ccc(C2=NCCS2)cc1	1772597438	MAFHFIOEGUNLPV-UHFFFAOYSA-N	233.380	3.913	0	1	BHAF	
C[C@]12CC=C3c4ccccc4CC[C@H]3N1CCC2	1772622516	FQHFJJDTSZRGCU-SJORKVTESA-N	239.362	3.643	0	1	BHAF	
CCCc1ccc(O)c(-c2ccn(CCC)n2)c1	1857584239	CSMCOMGJKOPCRL-UHFFFAOYSA-N	244.338	3.618	0	1	BHAF	
CC1=Cc2c(C)coc2C(=O)[C@@]12CCC[C@H]2C	2356419921	IZGYUJRBTLSOFP-MEBBXXQBSA-N	230.307	3.994	0	1	BHAF	
Cc1ncn(Nc2ccccc2)c1-c1ccccc1	3641461	ZQAQKDWDKQLXGK-UHFFFAOYSA-N	249.317	3.734	0	1	BHAF	
Cc1cc2c(cc1O)[C@@H](C)CC(=O)[C@H]2C(C)C	13381452	CVZKYHWWEFIPFX-VFZGTOFNSA-N	232.323	3.517	0	1	BHAF	biogenic
C[C@]12N[C@H](CC3=C1CCCC3)[C@H]1CCCC[C@@H]12	25998015	YGTVUMWZFUCODU-HNKHHVNMSA-N	231.383	3.798	0	1	BHAF	
CN1[C@@]2(C)Cc3ccccc3[C@]1(C)c1ccccc12	36294426	NTYASZOGDPMGGG-ZWKOTPCHSA-N	249.357	3.667	0	1	BHAF	
COc1ccccc1-c1nc2cc(F)ccc2o1	40976271	XHHQWPWMKLVEGY-UHFFFAOYSA-N	243.237	3.643	0	1	BHAF	
CC(C)=CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	70455104	DRMFACTYRZBDGY-JMSVASOKSA-N	236.355	3.711	0	1	BHAF	biogenic,in-vitro
C[C@H](N=O)c1ccc2c3c([nH]c2c1)CCCC3	169690204	GCIKVSLEBNEOCU-VIFPVBQESA-N	228.295	3.874	0	1	BHAF	
Cc1ccc(-c2[nH]c3cc(F)ccc3c2N)cc1	587635559	KKDKWRWBZRFITN-UHFFFAOYSA-N	240.281	3.865	0	1	BHAF	
COc1ccc2c(c1)-c1[nH]c3ccccc3c1CC2	1651443	CVNAOQQKBZSDEJ-UHFFFAOYSA-N	249.313	3.942	0	1	BHAF	
CC1=CC[C@H](c2coc(CC(C)C)c2)C[C@@H]1O	13376997	SNMIMWYZCXBQQW-WFASDCNBSA-N	234.339	3.663	0	1	BHAF	biogenic
CCN[C@]12CCCC[C@H]1CSc1ccccc12	13831997	LOQRDENWDVBHOC-SWLSCSKDSA-N	247.407	3.787	0	1	BHAF	
CCCCCc1cc(OC)c2ccccc2n1	14649583	GBEBHUXJNVPKMN-UHFFFAOYSA-N	229.323	3.976	0	1	BHAF	biogenic
COc1ccc2c(c1)CC/C2=C/c1cccnc1	100056320	HVRLSDXXVKSVBR-LCYFTJDESA-N	237.302	3.577	0	1	BHAF	in-vivo
c1ccc(-c2ccc(-c3cncnc3)s2)cc1	299864228	QWUGJAMZVQLHTE-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)[C@](C)(O)CCC2(C)C	2356713209	BOBTWVZHSPRDFC-OUCADQQQSA-N	208.345	3.530	0	1	BHAF	
CCCCCN1CCC[C@H](c2cccc(O)c2)C1	29250670	QTYFKXPXLCCNOF-HNNXBMFYSA-N	247.382	3.762	0	1	BHAF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([C@H]1CCC[C@@H](O)C1)C2	100049445	IGEVVMFDMLDFFU-ADVQIIOHSA-N	236.399	4.000	0	1	BHAF	
Cc1csc(Nc2ccc3ccccc3n2)n1	621429324	GMTPTFBPQFBQAG-UHFFFAOYSA-N	241.319	3.743	0	1	BHAF	
CC[C]1C=CN(Cc2cccc(F)c2)C=C1	2356859671	GGKGZZBMJLDGGV-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CCOc1c(OC)cc2c(c1C)C=CC(C)(C)O2	5862976	JRMSNDNMSQNZLO-UHFFFAOYSA-N	248.322	3.587	0	1	BHAF	
C[C@@H]1CCCC2=CC=C[C@@H](C(C)(C)O)[C@]21C	14612486	NAMGLFWPKVHQKV-ZLDLUXBVSA-N	220.356	3.696	0	1	BHAF	biogenic
Cc1ccc2ccc(-c3cccnc3)cc2n1	28823049	MALXWWORFUKTKQ-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	in-vivo
CCc1c(C)c(C)nc2c(CC)cccc12	149480753	ZPPRMIYMNYTMAZ-UHFFFAOYSA-N	213.324	3.976	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(C)c(F)cc2[nH]1	586888853	JVAQAHJSSZSBGN-XPTSAGLGSA-N	232.302	3.914	0	1	BHAF	
C[C@H](F)[C@H](F)CCc1c[nH]c2ccccc12	1857561078	SAXHGJZELOOXSB-JOYOIKCWSA-N	223.266	3.797	0	1	BHAF	
Cc1c(C2=CN3CCC2CC3)oc2ccccc12	13757477	AESSYHBGSGYEPG-UHFFFAOYSA-N	239.318	3.808	0	1	BHAF	
CCO/C(O)=C1/Sc2cc(C)ccc2N=C1C	101930961	PGDJFUSTPHYOHG-OUKQBFOZSA-N	249.335	3.957	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2c(Cl)ccnc2[nH]1	586886535	CJUCUELNYVTJLW-MADCSZMMSA-N	235.718	3.515	0	1	BHAF	
N=C(SCc1ccccc1)c1ccc(O)cc1	1772588211	XKCPWVYGTOVOFQ-UHFFFAOYSA-N	243.331	3.651	0	1	BHAF	
CC=Cc1ccc(OC(=O)CC(C)C)c(OC)c1	2356404297	JNVPTYXMIALTSY-UHFFFAOYSA-N	248.322	3.680	0	1	BHAF	
CNc1ncnc2ccc(-c3ccccc3C)cc12	4239284	SFYSYDNYJCSCTC-UHFFFAOYSA-N	249.317	3.647	0	1	BHAF	
CN(C)[C@H]1CC[C@H](c2c[nH]c3cc(F)ccc23)C1	38436759	CGGMFFCJZMGDBV-JQWIXIFHSA-N	246.329	3.505	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)CCC[C@@]2(O)C1	100781841	FUQAYSQLAOJBBC-QHSBEEBCSA-N	222.372	3.754	0	1	BHAF	endogenous,in-man
C/C1=C/CC/C(C(=O)O)=C/[C@@H]2[C@H](CC1)C2(C)C	169356614	BBGNZFMMXLMZRC-INJGUAGGSA-N	234.339	3.790	0	1	BHAF	
Cc1cc(C)c(-c2cc3c4c(cccc4n2)CC3)[nH]1	587211600	HVHKLEMVDNEPPE-UHFFFAOYSA-N	248.329	3.945	0	1	BHAF	
CCCC[C@@H](C)CCC[C@H](C)C(=O)O	15119679	KATHYIVCSSJTDJ-MNOVXSKESA-N	200.322	3.704	0	1	BHAF	biogenic
O=C(/C=C/C=C/c1ccccc1)Nc1ccccc1	72114787	QKPXQVORHNBNOI-HPIZBCMHSA-N	249.313	3.895	0	1	BHAF	
Cc1c(Cl)cccc1NC1=N[C@@H](C)CC1	143495704	WFNVPFZXHOWDNP-QMMMGPOBSA-N	222.719	3.641	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@H]3CC[C@]2(C)[C@@H](O)[C@H]31	238765097	MNNFKQAYXGEKFA-JQPXUNLUSA-N	222.372	3.610	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cc(Cl)ncc2[nH]1	586889703	MNJUFOOEYSHECP-JVXZTZIISA-N	235.718	3.515	0	1	BHAF	
CCCc1c(C)nc2cccc3c2c1CC3	587214592	VECLEDUCJMGHKE-UHFFFAOYSA-N	211.308	3.594	0	1	BHAF	
CCCSc1ccccc1N(CC)C(C)=O	1772623541	FRFUYVYOQYQLDB-UHFFFAOYSA-N	237.368	3.562	0	1	BHAF	
COc1ccc2c(c1)CN(C)c1c(C)cccc1-2	1857770490	SOEABGIPYCAONF-UHFFFAOYSA-N	239.318	3.620	0	1	BHAF	
C[C@@H]1CC[C@@]23CC[C@@H]1[C@@H]2C(C)(C)C[C@@]3(C)O	14614467	FBFJGCPGMBRKTN-BUONHZGMSA-N	222.372	3.610	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@@H](C(=O)O)[C@H]3CC[C@@H]2[C@H]31	28645592	KROJPNVXPGQHLH-NQUGEPOWSA-N	236.355	3.560	0	1	BHAF	
CCCCN1CCC[C@@H](c2cccc(OC)c2)C1	29242362	NTZQJXOKNWIOLU-OAHLLOKOSA-N	247.382	3.675	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]2(C)[C@@H](O)[C@@H]31	32153551	MNNFKQAYXGEKFA-MUGBGTHKSA-N	222.372	3.610	0	1	BHAF	in-vitro
Cc1ccc2c(c1)CN(C)C[C@H]2c1ccccc1	34279331	HEKXQZYFIMYCKA-KRWDZBQOSA-N	237.346	3.572	0	1	BHAF	
CC(C)(Cc1ccc(O)cc1)c1ccc(O)cc1	45291327	SOKFWRPORPTXSA-UHFFFAOYSA-N	242.318	3.618	0	1	BHAF	
C[C@]12CCC[C@@H]3C[C@H]1C1(CCCC1)[C@@H](O)[C@@]32C	85545703	ORPPLZUJDYELBH-NIFZNCRKSA-N	234.383	3.754	0	1	BHAF	biogenic,in-vitro
C[C@H](c1nc[nH]c2nccc1-2)C1CCCCC1	1911575581	KCWPTJJHEHEGBU-JTQLQIEISA-N	229.327	3.593	0	1	BHAF	
C[C@@H]1C=C2C=C[C@@H](C)C(=CCC(=O)O)[C@H]2CC1	2356424118	KACFUDDYHBRTGQ-WDMOLILDSA-N	232.323	3.566	0	1	BHAF	
O=c1ccc2c([nH]1)CCCCCCCCCC2	297030	HDBMXVSAUJJCCE-UHFFFAOYSA-N	233.355	3.594	0	3	BHAF	
N=C(/C=C/C1CCCCC1)NCc1ccccc1	13487835	XEJXHQIZSDVPSX-VAWYXSNFSA-N	242.366	3.890	0	1	BHAF	
CC1=CC[C@H](C2=CCC[C@@H](CO)C2)C1(C)C	64624732	WFCYPFZTEOKUDV-TZMCWYRMSA-N	220.356	3.698	0	1	BHAF	in-vitro
CC1(C)C[C@@H]2[C@@H]1CCC1=CCC[C@@]2(O)CC1	2356727955	UUFHSKASMKIFRT-GZBFAFLISA-N	220.356	3.674	0	1	BHAF	
Cc1c(-c2ccc(Cl)cc2)[nH]c2nccnc12	13492969	SZRBJCSOUDDITM-UHFFFAOYSA-N	243.697	3.587	0	1	BHAF	
CC1(C)C[C@]2(C)CC[C@@H]3[C@@H]2[C@@H]1CC[C@@]3(C)O	14679251	SGFQNQLVVVMSEE-CUZKYEQNSA-N	222.372	3.610	0	1	BHAF	biogenic
CC1=C2CC[C@](C)(O)C[C@H]2[C@H](C(C)C)CC1	2356445793	OYKYYOKNASFMLL-QEJZJMRPSA-N	222.372	3.920	0	1	BHAF	
CCCC=C[C@]1(CC)C[C@@H](CC)[C@](C)(O)O1	2356694298	YUFOLFJAYLDZGK-MGPQQGTHSA-N	226.360	3.647	0	1	BHAF	
CC(=O)OC/C1=C\CC/C=C\[C@H]2[C@@H](CC1)C2(C)C	238787274	LGSRJZINARWBIM-RUKJIXDWSA-N	248.366	3.878	0	1	BHAF	
c1cnc2nc(-c3ccc(C4CCC4)cc3)[nH]c2c1	586880641	OJRXPPFFWMCMIS-UHFFFAOYSA-N	249.317	3.892	0	1	BHAF	
Cc1ccnc2c1CCN[C@@]2(C)CCCC(C)C	963068420	KWUSRZXNJZVBSR-INIZCTEOSA-N	246.398	3.577	0	1	BHAF	
CCCC=CC=CC=CC(=O)N1C=CCCC1	2356578322	MYQLSFPPFMXWEZ-UHFFFAOYSA-N	231.339	3.591	0	1	BHAF	
Cc1cc2occ(C)c2c2c1CC[C@@H](C)C2=O	13412791	YBJIFGYQRRWWFW-MRVPVSSYSA-N	228.291	3.815	0	1	BHAF	endogenous,in-man
CCCN(CCC)[C@H]1C[C@H]1c1ccc(F)cc1	13755491	GCCTVSRWDHKLKK-GJZGRUSLSA-N	235.346	3.804	0	1	BHAF	
CC[C@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1	587956791	WNDGGSLPOBWTAH-YFKPBYRVSA-N	244.125	3.778	0	1	BHAF	
CC1=C2C[C@H](CO)C(C)(C)[C@H]2C(C)(C)CC1	2356375165	TWBBKSVRWRNTPJ-DGCLKSJQSA-N	222.372	3.778	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3C[C@H]4[C@H]2[C@@]4(C)[C@@H]13	2356562851	GYBWNBYHPILEBG-FICWEOCZSA-N	204.357	3.961	0	1	BHAF	
CC1=C2[C@H](/C=C(\C)CO)CC[C@H](C)[C@@H]2CC1	14827119	KIQXKOUFPHTUQS-VCGGLSEDSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
CCCCC/C=C\C=C\C(=O)NC1CCCC1	103223004	XRPSXCHMKDNUFL-ONVRAGQBSA-N	235.371	3.738	0	1	BHAF	
CC1=CC[C@]2([C@]3(C)CCC(=O)C3(C)C)C[C@@H]12	2356554724	WGRPUSWOQOBTEG-GLQYFDAESA-N	218.340	3.738	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@@]3(C)CC[C@]21C[C@@H]3O	14416897	CSTOJISGDOIIDQ-RKEKIRQTSA-N	222.372	3.610	0	1	BHAF	biogenic
C=C(C(=O)OC)[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C[C@@H]21	14918141	AOBAHYLCIGMCHX-MXAVVETBSA-N	248.366	3.734	0	1	BHAF	biogenic
CN[C@]12CCCC[C@@H]1CC(C)(C)c1ccccc12	26147464	YTKCGNXANRDIGC-CXAGYDPISA-N	243.394	3.973	0	1	BHAF	
NC12C[C@@H]3C[C@@H](C1)CC(C1CCCCC1)(C3)C2	101742985	WLPZAHQYMVQLHL-KCNJBTMXSA-N	233.399	3.864	0	1	BHAF	
CC/C=C/C=C/C=C\C=C/CCCCO	238789416	BLTWGWDMUNKAIK-BEGPLMEHSA-N	206.329	3.784	0	1	BHAF	
Clc1ccc(C=Cc2ccccn2)cc1	4353021	KSRMKBJYFVLXQU-UHFFFAOYSA-N	215.683	3.905	0	1	BHAF	
c1ccc(-c2cccc(-c3ccsc3)n2)nc1	40980044	WTTPKHYOONAAAG-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
Clc1ccccc1-c1ccc2[nH]ncc2c1	169329406	WPNNDKHQYVORDG-UHFFFAOYSA-N	228.682	3.883	0	1	BHAF	
CN(C)C12CC3C[C@@H](C1)c1ccccc1[C@@H](C3)C2	169337106	FUOOKAZVJMFJFV-CWVKQELPSA-N	241.378	3.762	0	1	BHAF	
CC1(C)CCC[C@@H]1[C@@]1(C)C=C[C@](C)(O)CC1	13299409	BQLFIUATYJZEOZ-QEJZJMRPSA-N	222.372	3.920	0	1	BHAF	biogenic
c1ccc(CC2=NO[C@@H](c3ccccc3)C2)cc1	45497746	KJHQJIXWXXXQJV-MRXNPFEDSA-N	237.302	3.747	0	1	BHAF	
COc1ccc2c(c1)CC/C2=C/c1cncs1	100377036	YBVSJXCRZPLUNH-XFFZJAGNSA-N	243.331	3.639	0	1	BHAF	in-vivo
c1coc(CCc2cc3c4c(cccc4n2)CC3)c1	587215488	IJYKHKUPOARTET-UHFFFAOYSA-N	249.313	3.712	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1-c1ccccn1	587636677	CERNUWRWXXISST-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
CCCCCCc1ccc(C2OCCO2)cc1	1772657115	ARUVDDJWHNNRPA-UHFFFAOYSA-N	234.339	3.855	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@H]2[C@H](O)C1	13381173	BEIGEIPJNFKPQA-ZGKBOVNRSA-N	220.356	3.696	0	1	BHAF	biogenic
CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=CC[C@H]2C(C)C	14918082	WMNZIVZTRJKKHL-SCRDCRAPSA-N	234.339	3.646	0	1	BHAF	biogenic
Nc1ccc(-c2ccc3cc(O)ccc3c2)cc1	299828287	UHRBVERTHHUKIM-UHFFFAOYSA-N	235.286	3.795	0	1	BHAF	
CCCC/C=C\c1nc2cc(Cl)cnc2[nH]1	587966470	USDFZAJYWFEOSM-WAYWQWQTSA-N	235.718	3.815	0	1	BHAF	
Fc1ccc2c(c1)[nH]c1cc(F)cc(F)c12	653716300	SRQYVGPBHMFWOA-UHFFFAOYSA-N	221.181	3.738	0	1	BHAF	
CCCCOC[C@H](C)CC=C[C@@H](C)[C@H](O)CC	2356394616	FADLKENMLJJTQC-RBSFLKMASA-N	242.403	3.793	0	1	BHAF	
COC(=O)[C@H](C)CCC[C@@]1(C)C[C@H]2CC[C@H]1C2	2356573274	HURCCZSSOPDIHO-OSFYFWSMSA-N	238.371	3.792	0	1	BHAF	
CC(C)=C1C=C2[C@H](C)CCC[C@@]2(CO)CC1	15207188	FEQIVKLOJASWGY-DOMZBBRYSA-N	220.356	3.842	0	1	BHAF	biogenic
CC[C@H](C)CNc1cc(-c2ccccc2)ncn1	82160627	FBWJYZFGISJDFS-LBPRGKRZSA-N	241.338	3.602	0	1	BHAF	
N[C@@H]1C[C@@H]2CCCC[C@H]2C[C@H]1c1ccccc1	169344338	WLYIQVUZQRWOSU-YHUYYLMFSA-N	229.367	3.698	0	1	BHAF	
CC1=C[C@@H]2C[C@@H](CC[C@H]2C(C)C)C(=O)CC1	238744231	MGLWWZNRAQRXLJ-MCIONIFRSA-N	220.356	3.984	0	1	BHAF	
CC(C)(C)c1ccc2nc(C3CCC3)[nH]c2n1	586884462	NLOQQDGMCUFVHU-UHFFFAOYSA-N	229.327	3.523	0	1	BHAF	
CCSc1ccccc1N(CC)CC	1772658185	YFDJEHNDGZLRKJ-UHFFFAOYSA-N	209.358	3.645	0	1	BHAF	
C[C@@]12CCC[C@@]1(C)[C@]1(C)CC[C@H](CO)[C@H]2C1	2356404021	AQPTUSRPCDHRQG-ZSAUSMIDSA-N	222.372	3.611	0	1	BHAF	
CC1=C[C@@]2(O)[C@@H](CC1)[C@@H](C)CC[C@@H]2C(C)C	238770659	IBKURWQMJZETQA-XGUBFFRZSA-N	222.372	3.776	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(OC)c(F)cc2[nH]1	586891607	SDBGMFARNBJHAY-XLKFXECMSA-N	248.301	3.614	0	1	BHAF	
COCCc1c(C)c(O)c2c(c1C)C=C(C)[C@H]2C	2356460450	VUZBAHPWSMFPFF-SNVBAGLBSA-N	246.350	3.718	0	1	BHAF	
CC=CCc1ccccc1CCCCCC(=O)O	2356699010	ZCIXNNKKTIYYPY-UHFFFAOYSA-N	246.350	3.993	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC(=O)[C@@H](C)C=CC1)C2(C)C	2356791676	IVSYUUYCIXEKDQ-XQQFMLRXSA-N	218.340	3.760	0	1	BHAF	
CC(C)CC(=O)C[C@@H](C)c1ccc(C=O)cc1	14619037	GUWCABZIABQBRL-GFCCVEGCSA-N	232.323	3.608	0	1	BHAF	biogenic
CN1CC[C@@]2(C(C)(C)C)C[C@@H]1Cc1ccccc12	29481476	AIFOYIFTUNZIKU-WMLDXEAASA-N	243.394	3.621	0	1	BHAF	
CC1=C[C@@]2(C=C[C@H](C)O2)[C@H](C(C)C)CC1	100779603	QQLMXACDDRGTPU-IHRRRGAJSA-N	206.329	3.712	0	1	BHAF	endogenous,in-man
CC[C@]1(C)C[C@H]1c1nc2cc(C)c(F)cc2[nH]1	586888849	JVAQAHJSSZSBGN-LKFCYVNXSA-N	232.302	3.914	0	1	BHAF	
CC=C/C=C\CC/C=C/C=C/C(=O)NCC(C)C	1857624051	VLGRWXYRKYWRPX-NWUZEOGLSA-N	247.382	3.784	0	1	BHAF	
Cc1ccc2[nH]cc([C@H]3CCCCC3=O)c2c1	4167711	CXOPVSYLDOGGIK-LLVKDONJSA-N	227.307	3.703	0	1	BHAF	
C[C@]12N[C@H](CC3=C1CCCC3)c1ccccc12	25994628	DNQMEVZYRQESJN-CVEARBPZSA-N	225.335	3.820	0	1	BHAF	
COc1ccc(/C=C/c2cccc(OC)c2)cc1	34412387	PMVLDTCOUSZSHN-VOTSOKGWSA-N	240.302	3.874	0	1	BHAF	
c1ccc([C@@H]2CN3CCC[C@@H]3c3ccccc32)cc1	6116281	KJHWRRVSXANANB-ZWKOTPCHSA-N	249.357	3.969	0	1	BHAF	
CN[C@]12CCCC[C@H]1C[C@H](C)c1ccccc12	13831983	LATMEMFFKNJSDV-HEHGZKQESA-N	229.367	3.799	0	1	BHAF	
C/C=C/c1cc(OC)ccc1OC(=O)[C@H](C)CC	14679996	YARRWVYKHJNVHX-OKPNEXGHSA-N	248.322	3.680	0	1	BHAF	endogenous,in-man
Clc1c([C@@H]2C=CNC=N2)sc2ccccc12	205577344	HUKBMPNDIKPSQA-VIFPVBQESA-N	248.738	3.741	0	1	BHAF	
Cc1ccc(-c2c(C)[nH]c3cccc(F)c23)nc1	587636825	KJTOPXUKBCXENZ-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
Clc1ccc(-c2cccc3nccn23)cc1	61908371	YLHQDNSBLUIWTD-UHFFFAOYSA-N	228.682	3.655	0	3	BHAF	
Cc1ccc(SCC(=O)C(F)(F)F)cc1C	13859422	ZFGSGJXCHVBEHE-UHFFFAOYSA-N	248.269	3.527	0	1	BHAF	
C=Cc1cccc2c1[nH]c1c(OC)cccc12	45483826	ZOHQLPLULJPUBU-UHFFFAOYSA-N	223.275	3.973	0	1	BHAF	
Nc1ccc(-c2nc3ccc([18F])cc3s2)cc1	101727363	FIHRCVGMRDXVHA-UMSOTBISSA-N	243.297	3.685	0	1	BHAF	
CC(C)C(=O)CC[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C	238769020	QCNPBJGLBGLMJY-OGMFBOKVSA-N	220.356	3.674	0	1	BHAF	
CC1=C[C@@H]2[C@H](C)CC[C@H]2[C@](O)(C(C)C)CC1	2356435382	XMPXBOBVAYYYMD-KBUPBQIOSA-N	222.372	3.776	0	1	BHAF	
Cc1ccc([C@H](C)CC=CC(C)(C)O)c(O)c1	2356858362	SZEQTNGHLUJJGQ-GFCCVEGCSA-N	234.339	3.521	0	1	BHAF	
C[C]1C=C(C)C=CN1Cc1cccc(F)c1	2356841603	BUWGHIRQCPXSQC-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
O=c1cc(-c2ccsc2)oc2ccccc12	61948184	SCRHPEOMEJHXSD-UHFFFAOYSA-N	228.272	3.522	0	3	BHAF	
Cc1ccc2c(c1)ncn2-c1ccc2[nH]ccc2c1	20408	VZKRZUPJCVFVGR-UHFFFAOYSA-N	247.301	3.815	0	1	BHAF	
CCC1=CN(Cc2cccc(F)c2)[CH]C=C1	2356865524	JJUPGIVMINEMBL-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CC1=C2CC[C@@]2(C)C[C@@H]2CC(C)(C)[C@@H](O)[C@@H]12	34116976	PDYFRRZJPCCQRD-NHULGOKLSA-N	220.356	3.530	0	1	BHAF	biogenic,in-vitro
CCCN1CCC[C@H]([C@@H]2CCC[C@H](C)C2)C1	36450277	MFQJGOGNSWZAMY-ZNMIVQPWSA-N	223.404	3.935	0	1	BHAF	
Cc1ccc2c(c1CCC(C)C)CCC[C@@H]2CO	84705399	PEKUIEKQBFXHAW-CQSZACIVSA-N	246.394	3.996	0	1	BHAF	
C[C@@]12N[C@H](CC3=C1CCCC3)[C@H]1CCCC[C@@H]12	100659843	YGTVUMWZFUCODU-ARLBYUKCSA-N	231.383	3.798	0	1	BHAF	
Cc1cc2c(c3c1CC[C@H]3C)[C@H](C)[C@H](C)O2	140273878	PQVLWUQLBFIWFW-IEBDPFPHSA-N	216.324	3.929	0	1	BHAF	biogenic,in-vitro
CC1=C[C@@H]2C(=C(C)C)CC[C@@H](C)[C@@H]2C(=O)C1	2356578006	ABZDLUFXOKZOMD-KYOSRNDESA-N	218.340	3.904	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@H]1c1ccc(F)cc1	13755490	GCCTVSRWDHKLKK-LSDHHAIUSA-N	235.346	3.804	0	1	BHAF	
CC[C@H](C)CCCCCC1=C[C@@H](C)OC1=O	14592389	DIGSICVZYKFCTI-NWDGAFQWSA-N	224.344	3.855	0	1	BHAF	biogenic
C[C@H]1CC=C(c2ccoc2)N2C[C@H](C)CC[C@H]12	14962658	GDNQZNOOISYXJU-MBNYWOFBSA-N	231.339	3.761	0	1	BHAF	biogenic
Clc1ccccc1C1=NO[C@@H]2CCCC[C@H]12	95574356	JEXSORRCJOMKOT-CMPLNLGQSA-N	235.714	3.633	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(C)cc2[nH]1	586890393	OSTBZTSQSCIUIJ-IINYFYTJSA-N	214.312	3.775	0	1	BHAF	
C[C@H]1CCC2=C(C(=O)O)C(C)(C)[C@H]3CC[C@]21C3	2356534183	XHMBBGJOXXLKCH-AMJWSMQMSA-N	234.339	3.624	0	1	BHAF	
CCc1nc(-c2ccccc2)c2ccccn12	67108	BAOIRQDVWWYQKL-UHFFFAOYSA-N	222.291	3.564	0	3	BHAF	
Oc1cccc2c(CCc3ccccc3)ccnc12	26746375	UMKDWJDGPVAYGU-UHFFFAOYSA-N	249.313	3.726	0	1	BHAF	
CCC[C@H]1CCC[C@@]2(CCC[C@H](C)O2)O1	86052050	QXUAOIHBLJZVTQ-RWMBFGLXSA-N	212.333	3.641	0	1	BHAF	
CCC[C@@H](c1nc2cc(F)cnc2[nH]1)C(C)C	587954984	HWRAQIQNMCGDSJ-SNVBAGLBSA-N	235.306	3.637	0	1	BHAF	
CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](C(C)C)N1	962944759	FEMXLXNUYVHGNU-XHDPSFHLSA-N	242.366	3.789	0	1	BHAF	
CCCC[C@@H]1CCC[C@@]2(CCCCO2)O1	2356431997	NBWSJPXGVRZJTC-CHWSQXEVSA-N	212.333	3.643	0	1	BHAF	
CC=Cc1ccc(OC(=O)[C@@H](C)CC)cc1	2356629108	QVAWDXCSFUFEAT-NSHDSACASA-N	218.296	3.671	0	1	BHAF	
CCC=CC=CC=CC=CCCCC(=O)OC	2356640411	APBIACZYUBKFQE-UHFFFAOYSA-N	234.339	3.965	0	1	BHAF	
CC[C]1C=CN(Cc2ccc(F)cc2)C=C1	2356821186	FEOBYWZFSSZJEV-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
Fc1ccc2[nH]cc(/C=C/c3cccnc3)c2c1	27984257	WPABSLYILGSEFI-ONEGZZNKSA-N	238.265	3.872	0	1	BHAF	
C[C@H](O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2	34458708	YYEKBMUASNYOCA-JTQLQIEISA-N	248.366	3.707	0	1	BHAF	
CCCCC[C@H](O)/C=C/c1ccc(F)c(F)c1	1911572022	MWACUVONMNDWDQ-WMADIVHISA-N	240.293	3.919	0	1	BHAF	
CC(C)(C)c1csc(Nc2cccnc2)n1	74755	QNNTWUDYQVROKV-UHFFFAOYSA-N	233.340	3.579	0	1	BHAF	
CCCN1CCC[C@@H]([C@@H]2CCC[C@@H](C)C2)C1	13492916	MFQJGOGNSWZAMY-RBSFLKMASA-N	223.404	3.935	0	1	BHAF	
c1ccc2c3c([nH]c2c1)-c1n[nH]c(C2CC2)c1CC3	40424810	UFESQQQWTVKFRP-UHFFFAOYSA-N	249.317	3.534	0	1	BHAF	
O=c1[nH]cc(-c2ccccc2)cc1-c1ccccc1	95559960	WTYAKBPRNHJPLA-UHFFFAOYSA-N	247.297	3.709	0	1	BHAF	
COc1cc(C)cc(Oc2cc(C)cc(O)c2)c1	95592396	MCACKYTWGZKQCS-UHFFFAOYSA-N	244.290	3.810	0	1	BHAF	
CCCC/C=C\c1nc2ccc(C(C)=O)cc2[nH]1	587965689	OSPJNKFMECHLBS-SREVYHEPSA-N	242.322	3.969	0	1	BHAF	
CC1=CC2=C(C(C)C)CC[C@H](C)[C@@H]2[C@@H](O)C1	2356460491	XCXXQNHVVCTZPI-CQDKDKBSSA-N	220.356	3.696	0	1	BHAF	
CC(=C[C@@H]1CC2=C(C)CC[C@@H]2[C@H](C)C1)C(=O)O	2356643186	KEXOELSKKSEHAC-RAIGVLPGSA-N	234.339	3.790	0	1	BHAF	
COc1cc(-c2ccccc2)c(O)c2ccoc12	5998827	CXIILBFQFPNQAJ-UHFFFAOYSA-N	240.258	3.814	0	1	BHAF	
C[C@@H]1[C@H]2C[C@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C	6031873	BWVZAZPLUTUBKD-PLJUSGQGSA-N	236.399	3.856	0	1	BHAF	in-man
COc1ccc(-c2oc(C3CC3)nc2C)cc1	299832305	LOIDFTSRFNRBOF-UHFFFAOYSA-N	229.279	3.536	0	1	BHAF	
C1CC[C@H](C[C@H](C2CCCC2)C2CC2)NC1	1772577791	NYRSPWSFCYBJRQ-HUUCEWRRSA-N	221.388	3.735	0	1	BHAF	
C[C@H]1CC[C@@H]2[C@H](C)CCC(=CC(C)(C)O)[C@H]12	2356526727	IYMKPZYUEJPWPC-WVWOOGAGSA-N	222.372	3.776	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@@H](C)CC[C@@]12O	2356535960	MFNUNCDPCGAKMB-PMOUVXMZSA-N	222.372	3.776	0	1	BHAF	
Oc1cccc2c1C=C[C@@H](c1ccccc1)O2	2356776562	VMEWOYOXUUGYTN-AWEZNQCLSA-N	224.259	3.539	0	1	BHAF	
Nc1ccc(-c2cc3cccc(F)c3[nH]2)cc1	96908884	FGHDSBIFBJCVOG-UHFFFAOYSA-N	226.254	3.556	0	1	BHAF	
CC1=C2CC[C@H](C)[C@@H]3OC(C)(C)[C@@H](CC1)[C@@H]23	238766168	SNRALHVPILMCDY-DEQVHRJGSA-N	220.356	3.936	0	1	BHAF	
CC(C)(C)CN1CCC[C@H](c2cccc(O)c2)C1	29250579	HGHITQDDOUFOHU-AWEZNQCLSA-N	247.382	3.618	0	1	BHAF	
Cc1cccc(-c2cc3occ(C)c3c(=O)o2)c1	45368125	KKFMOLKQYXZNGV-UHFFFAOYSA-N	240.258	3.670	0	1	BHAF	
C[C@@H]1C(=O)C[C@H]2[C@H]3[C@@H]1[C@@]2(C)CCCC3(C)C	154368323	FFYZWVPYUFHRGO-OLNSGIQNSA-N	220.356	3.674	0	1	BHAF	
CC(F)(F)CCc1c[nH]c2ccccc12	473160620	YRFVPBPJFACMNR-UHFFFAOYSA-N	209.239	3.756	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@H]2CC=C(C)[C@@H]12)C(=O)O	2356538483	FUHPCDQQVWLRRY-WTDIUWLJSA-N	234.339	3.646	0	1	BHAF	
CCCCC/C(NO)=C1\C=Nc2ccccc21	104005384	RTPPFUZHMYIKNN-OWBHPGMISA-N	230.311	3.673	0	3	BHAF	
c1coc([C@H]2Nc3ccccc3[C@@H]3OCC[C@H]23)c1	3642809	ZQRYWYRQXPVNFH-UGFHNGPFSA-N	241.290	3.524	0	1	BHAF	
C[C@H]1CCC2=C1[C@H]1C(C)(C)[C@]1(O)CC[C@H]2C	14856493	JGYULZZPFYGXEW-BILRFKGYSA-N	220.356	3.530	0	1	BHAF	biogenic
CCCN(CCC)[C@@H]1C[C@@H]1c1cccc(OC)c1	27421828	CDBKSCIFVPNNTJ-HZPDHXFCSA-N	247.382	3.673	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@](C)(O)[C@H]1CC[C@@]12C	85991100	CPLGPDHGFNXBOA-SZWZKDINSA-N	222.372	3.610	0	1	BHAF	in-man
CC[C@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	587955657	KJWSQAQNOOLBBD-BYPYZUCNSA-N	246.207	3.633	0	1	BHAF	
Cc1cc(C)c2c(c1)[C](N)C1=C(CCCCC1)N2	2356870027	PZMMHNICTAEYIZ-UHFFFAOYSA-N	241.358	3.786	0	1	BHAF	
c1ccc2c(c1)[nH]c1ccnc(NCC3CC3)c12	40429066	QYUKJFOMDLBKEW-UHFFFAOYSA-N	237.306	3.538	0	1	BHAF	
CC(C)=CCC/C(C)=C\c1nc2cnncc2[nH]1	587969535	YZPYDQCKAPRVHN-XFFZJAGNSA-N	242.326	3.503	0	1	BHAF	
C[C@@H]1CC[C@@H]2C[C@]3(C)C[C@@H]3C(C)(C)C[C@@]12O	2356478522	HJRGEXWNMQQNJV-URFZWBKFSA-N	222.372	3.610	0	1	BHAF	
CC1=C2C[C@H](C)CC[C@@H]2[C@@H](C(C)(C)O)CC1	2356672088	WKWATASPNZWAFM-OSMZGAPFSA-N	222.372	3.920	0	1	BHAF	
Fc1ccc(-c2ncoc2-c2ccncc2)cc1	20053	NKWYMYOCYVDEFC-UHFFFAOYSA-N	240.237	3.543	0	1	BHAF	
Cc1cc(C)c2c(c1)Oc1ccccc1C(=O)N2	6521872	IAFXPIJYENPJFC-UHFFFAOYSA-N	239.274	3.661	0	1	BHAF	
C=C(C(=O)O)C1=C2C=C(C)CC[C@@H]2[C@@H](C)CC1	13381534	TYEINKOPUFHKES-CMPLNLGQSA-N	232.323	3.710	0	1	BHAF	biogenic
CN1[C@H](c2cccnc2)CC[C@@H]1c1ccccc1	13738873	SXNWJPFRPOBTBC-CVEARBPZSA-N	238.334	3.590	0	1	BHAF	
C[C@H]1CCC[C@@]2(C)CC=C(C(C)(C)O)C=C12	15207161	SCFWEZZRBBRNAV-NHYWBVRUSA-N	220.356	3.840	0	1	BHAF	biogenic
CC(C)C1=CC=C(C(=O)O)[C@@H]2CC[C@@H](C)[C@@H]2C1	15264261	BYNOGUXCVFZVPZ-OSMZGAPFSA-N	234.339	3.646	0	1	BHAF	biogenic
C=C(c1ccccc1OCCCC)n1ccnc1	28765193	YKEGJWNMWZFKQF-UHFFFAOYSA-N	242.322	3.581	0	1	BHAF	
CN[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccccc21	29484374	JVGDVUQOPGOQIW-JKSUJKDBSA-N	241.309	3.622	0	1	BHAF	
CC1=C[C@@H]2[C@@H]3C(=O)[C@@H]1[C@@]3(C)CCCC2(C)C	100780721	KKQDNHZABGRCAS-RTWAVKEYSA-N	218.340	3.594	0	1	BHAF	endogenous,in-man
c1ccc2c(-c3cc4[nH]ccnc-4n3)cccc2c1	100829887	WNEIHLRDSVCQFB-UHFFFAOYSA-N	245.285	3.730	0	1	BHAF	
c1csc(-c2ccc(-c3ccncn3)s2)c1	169328342	SCMHIYCRXHXJAJ-UHFFFAOYSA-N	244.344	3.934	0	1	BHAF	
Cn1c(O)c(/C=C\c2ccccc2)sc1=S	169721198	FTKCJIDLWOPLEM-FPLPWBNLSA-N	249.360	3.692	0	1	BHAF	
C/C=C(C)/C=C(\C)c1oc(=O)c(C)c(OC)c1C	214876654	IFHBFWLMLSPISM-FIFLTTCUSA-N	248.322	3.635	0	1	BHAF	
CCc1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2c1	586916915	ILMGKQFQXNEBTE-HZMBPMFUSA-N	244.338	3.613	0	1	BHAF	
CSC(=S)/C=C(\O)c1cccc(C)c1	1911574647	LVQGMQXAKJQSQL-YFHOEESVSA-N	224.350	3.584	0	1	BHAF	
Cc1c(O)cc(/C=C\c2ccccc2)cc1O	13335270	OCNRSGCLTQHHRD-FPLPWBNLSA-N	226.275	3.577	0	1	BHAF	biogenic,in-vitro
CC1=CC=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	85757057	AMZWKSYAMHGGSR-UMVBOHGHSA-N	220.356	3.696	0	1	BHAF	
Clc1ccc([C@@H]2CC=CCNC2)cc1Cl	95581248	PMLBVCPRUZMORG-SNVBAGLBSA-N	242.149	3.627	0	1	BHAF	
Oc1ccc([C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@@H]23)cc1	168110863	WWFVMVARNSHTHZ-TXUJKZCJSA-N	226.319	3.708	0	1	BHAF	
C[C@H]1CCC[C@@]2(O)CC[C@H]3[C@H](C3(C)C)[C@]12C	238752144	BREDZYPEWIDOOH-ZZVJUGKHSA-N	222.372	3.610	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1	13755473	KXRUBJYBRZXATJ-CABCVRRESA-N	217.356	3.665	0	1	BHAF	
CC(=O)CC[C@@H]1C(=O)C=C(C(C)C)CC[C@H]1C	14694279	PDXOECHKUSAMHE-RISCZKNCSA-N	236.355	3.553	0	1	BHAF	biogenic
CC(C)(C)CCOc1cccc2ccc(N)nc12	28386182	GUJKDUVYIJMAPL-UHFFFAOYSA-N	244.338	3.632	0	1	BHAF	in-vivo
c1cncc(-c2ccc3c(c2)CCCC3)c1	40863212	WGNJGUOGXBTDMP-UHFFFAOYSA-N	209.292	3.627	0	1	BHAF	in-vivo
CC/C=C\CCCC(=O)CCCCCC(=O)O	59724747	WPGZVCKWXQHYGF-ARJAWSKDSA-N	240.343	3.727	0	1	BHAF	
FC(F)(F)P1[C@H]2C=C[C@H](CC2)C1(F)F	73298192	HLSBOFLVTDNIAT-NQSNHRORSA-N	230.116	3.929	0	1	BHAF	
Nc1c2c(nc3ccc(Cl)cc13)[C@@H]1CC[C@@H]2C1	100993792	LIQUTBYXLQJUQH-HTQZYQBOSA-N	244.725	3.835	0	1	BHAF	
CC1=C(C)CC23CNCC2(C1)CC(C)=C(C)C3	219160433	VBVFRJUROJIXIB-UHFFFAOYSA-N	231.383	3.823	0	1	BHAF	
CCCC/C=C\c1nc2c(Cl)ccnc2[nH]1	587966840	YKRKJLYAYPIDQS-WAYWQWQTSA-N	235.718	3.815	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@H](O)C(C)(C)[C@]23C[C@@H]13	2356379379	RKYRGTWYGYBPFJ-DDHJSBNISA-N	220.356	3.530	0	1	BHAF	
c1ccc2c(c1)CCCC[C@]21NCc2ccccc21	27649471	DENICEPKSXBBTJ-SFHVURJKSA-N	249.357	3.760	0	1	BHAF	
CC(C)[C@H]1CCC[C@@](C)(O)[C@H]2C=C[C@H](C)[C@@H]12	49808137	HFWPFTKIWIPREI-AIEDFZFUSA-N	222.372	3.632	0	1	BHAF	
CCc1ccc(Oc2ccccc2NC)c(O)c1	95578632	FBIMGMFKUXKUMK-UHFFFAOYSA-N	243.306	3.789	0	1	BHAF	
C/C(=C\C=C\C(C)(C)O)C1CCCCC1	299828594	RUKWZANLVZYQNQ-MKICQXMISA-N	208.345	3.840	0	1	BHAF	
CCCCc1nc2cccc3c2c(c1C)CC3	587213461	IONLAOBDHGQILR-UHFFFAOYSA-N	225.335	3.984	0	1	BHAF	
C[C@@H]1C=C2C=C[C@@H](C)C(=CCC(=O)O)[C@@H]2CC1	2356424116	KACFUDDYHBRTGQ-MISXGVKJSA-N	232.323	3.566	0	1	BHAF	
CCC(=O)CCC=CC=CC1=N[C@H](C)C=CC=C1	2356551295	YHYHJUHRELVMJW-CQSZACIVSA-N	243.350	3.814	0	1	BHAF	
CC1=CC[C@@H](C2=CCC[C@@H](CO)C2)C1(C)C	64624733	WFCYPFZTEOKUDV-OCCSQVGLSA-N	220.356	3.698	0	1	BHAF	in-vitro
C[C@H](CCC[C@@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O	100783136	GDGGAJNITUJKMP-USDWWFSKSA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
CCC/C=C/[C@]1(CC)C[C@H](CC)[C@](C)(O)O1	140144477	YUFOLFJAYLDZGK-VAOFQHHVSA-N	226.360	3.647	0	1	BHAF	
Cc1ccc2nc(C(C)(C)Cl)[nH]c2c1C	587009121	WGRRTYAAMDGZHC-UHFFFAOYSA-N	222.719	3.654	0	1	BHAF	
Fc1cc(F)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1	587966415	FGJHUXDJKPISPB-QXFUBDJGSA-N	246.260	3.521	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@@H](CO)CC[C@H]12	2356397176	IUKILOCAVNUEAC-YJNKXOJESA-N	222.372	3.633	0	1	BHAF	
Cc1noc(C)c1[C@@H](C)C1=CCCCC1	203472049	IFWWLGMLCFABDX-VIFPVBQESA-N	205.301	3.895	0	3	BHAF	
CCCC[C@@H]1CC[C@@H]2CCC[C@@H](C(=O)CC)N21	14917080	PFXVWWBJFCZGFF-RDBSUJKOSA-N	237.387	3.541	0	1	BHAF	biogenic
C=C1CCC[C@H](C(=O)O)CC[C@H]2[C@@H]1CC2(C)C	14920575	RKHVEZWVFYPTNH-XQQFMLRXSA-N	236.355	3.870	0	1	BHAF	biogenic
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([C@@H]1CCC[C@@H](O)C1)C2	22000228	IGEVVMFDMLDFFU-PAURTPPISA-N	236.399	4.000	0	1	BHAF	
CCN1CCC=C(c2c[nH]c3ccc(C)cc23)C1	26748439	PPHCOOAWRAIZNU-UHFFFAOYSA-N	240.350	3.585	0	1	BHAF	
C[C@@H]1CCCCCC/C=C\CCCC(=O)O1	34557404	UNYFVMZKRMXDRF-RYWCDNDXSA-N	224.344	3.999	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2cc(F)cc(F)c2[nH]1	587967889	UMHCQDHNVPNOKV-PSASIEDQSA-N	248.276	3.911	0	1	BHAF	
O=c1oc(Cl)ccc1CCC1CCCCC1	13528641	DVPWHXXSWGHZOL-UHFFFAOYSA-N	240.730	3.806	0	1	BHAF	
Nc1c2c(nc3ccc(Cl)cc13)[C@@H]1CC[C@H]2C1	27996321	LIQUTBYXLQJUQH-JGVFFNPUSA-N	244.725	3.835	0	1	BHAF	
Cc1coc2c1[C@H](O)[C@@]1(C)[C@H](C)CCC[C@@H]1C2	85767713	ANKFPIBCTISOBX-FIXIBIHLSA-N	234.339	3.620	0	1	BHAF	in-man
C[C@H]1CCCCCC/C=C\CCC(=O)OC1	238763945	XFZGLIZDKYUJAG-VGVVRCBHSA-N	224.344	3.856	0	1	BHAF	
Oc1ccc(C2=CC[C@H]3CCC[C@@H]2C3)cc1	27517831	UOOYEPOTTDZDPN-DGCLKSJQSA-N	214.308	3.986	0	1	BHAF	
c1ccc2[nH]c(-c3nc4ccccc4[nH]3)cc2c1	114853727	STMZATNMQGQOAR-UHFFFAOYSA-N	233.274	3.711	0	1	BHAF	
Clc1c([C@H]2C=CNC=N2)sc2ccccc12	205577359	HUKBMPNDIKPSQA-SECBINFHSA-N	248.738	3.741	0	1	BHAF	
CC1(C)C=C[C@@]23CC[C@@H](O)[C@@](C)(CC[C@@H]12)C3	13403601	ZNUVKYSTJRDOHT-MYZSUADSSA-N	220.356	3.530	0	1	BHAF	biogenic
C[C@@H]1CC[C@H](c2ccoc2)N2CCCC[C@H]12	13434602	IUJJCTCKEGZSSR-MRVWCRGKSA-N	219.328	3.605	0	1	BHAF	biogenic
c1cc2nc(c1)CCCCCCCCC2	33833072	QBGSZFGDIXJTOI-UHFFFAOYSA-N	203.329	3.911	0	1	BHAF	biogenic,in-vitro
CCCCCCc1cnc(N)n1CCCCC	72105441	AFOOEQVAICBCJE-UHFFFAOYSA-N	237.391	3.778	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@H]3CC[C@@]2(C)[C@@H](O)[C@@H]31	100202394	MNNFKQAYXGEKFA-OEMOEHNSSA-N	222.372	3.610	0	1	BHAF	in-vitro
FC(F)(F)c1nc2ccccc2n2cccc12	169348657	GXJLNIBFUWZWJE-UHFFFAOYSA-N	236.196	3.506	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1CN1CCCCC1	587637228	YEARZYDSHPQBHE-UHFFFAOYSA-N	246.329	3.601	0	1	BHAF	
CC(C)[C@H]1CC[C@@]2(C)CC=C(C(=O)O)CC=C12	2356532259	IJONQLXWTMQRPH-IUODEOHRSA-N	234.339	3.790	0	1	BHAF	
C=C(C)[C@@H]1CCC(=O)[C@@H]([C@H](C)CCC(C)=O)C1	13301168	VTZKQIJVPOTFTD-MRVWCRGKSA-N	236.355	3.553	0	1	BHAF	biogenic
C[C@H]1CCC[C@]2(C)CCC(C(C)(C)O)=C[C@@H]12	15209597	YAQHBZWQFWXJOL-CORIIIEPSA-N	222.372	3.920	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@]12CC[C@]3(C)O	100044833	SVURIXNDRWRAFU-SIJPQNPESA-N	222.372	3.610	0	1	BHAF	biogenic,in-vitro
C[C@]1(Cc2ccco2)CC[C@H](c2ccoc2)O1	238737306	YIVXUDBTOBDAFL-ZIAGYGMSSA-N	232.279	3.726	0	1	BHAF	
CC1=CCC[C@H]2CC[C@@H](C(C)(C)O)C[C@@H]12	238753270	IPZIYGAXCZTOMH-XQQFMLRXSA-N	208.345	3.530	0	1	BHAF	
Cc1ccc([C@H](C)C/C=C\C(C)(C)O)cc1O	238784989	DZGXYWVBUAZNOS-YOOZJCNJSA-N	234.339	3.521	0	1	BHAF	
Cc1ccc(C)c2[nH]c(C=C3CCC3)nc12	587965240	QGSHKKONPHJOIJ-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
C/C=C\C=C\CC/C=C/C=C/C(=O)NCC(C)C	39205915	VLGRWXYRKYWRPX-ACCGBCAYSA-N	247.382	3.784	0	1	BHAF	
C[C@@H](N=O)c1ncc(C(F)(F)F)cc1Cl	169690695	VKZMQLFKFPRGLT-SCSAIBSYSA-N	238.596	3.581	0	1	BHAF	
C=CC(C)=CC[C@@]1(C)C(C(=O)O)=CCC[C@H]1C	2356579005	NHASXRPHDCXJBS-IUODEOHRSA-N	234.339	3.956	0	1	BHAF	
CC1=C[C@@H]2C(C)(C)CCC[C@]2(C)[C@H](O)CC1	13311159	ZLJPQFLGGAYZAN-NFAWXSAZSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1=CCC(C(C)C)=C[C@@H]2[C@@H]1CC[C@@]2(C)O	15264410	BUDAMKOGABENTE-RBSFLKMASA-N	220.356	3.696	0	1	BHAF	biogenic
c1cncc(COc2ccc(CC3CC3)cc2)c1	28528759	ZWBOIWJPDVUYHV-UHFFFAOYSA-N	239.318	3.613	0	1	BHAF	
C=CC(=O)Nc1cccc([C@@H](CCCC)OC)c1	53229577	IIEKAKWVAHSCSU-CQSZACIVSA-N	247.338	3.689	0	1	BHAF	
C[C@@H](C(=O)O)c1ccc2c(c1)C[C@H]1CCCC[C@@H]21	169318773	HNEPTMLCGOUKJY-MPKXVKKWSA-N	244.334	3.705	0	1	BHAF	
C[C]1C=C(C)C=CN1CC(=O)c1ccc(C)cc1	2356815214	FJIKFTVXZPOZMU-UHFFFAOYSA-N	240.326	3.505	0	1	BHAF	
CC1=CCCC(C)(C)[C@H]2C=C(CO)CC[C@@H]12	14439368	UCUDZMUAHCPZCI-KBPBESRZSA-N	220.356	3.698	0	1	BHAF	biogenic
Cc1cccc(/C=C/c2cccs2)n1	72103617	VCABWIQGYHBMHS-BQYQJAHWSA-N	201.294	3.622	0	1	BHAF	
c1ccc([C@H]2[C@H]3CCc4ccccc4[C@@H]32)nc1	169338294	JHBQXWSFWPQARO-CWRNSKLLSA-N	221.303	3.525	0	1	BHAF	
CNc1ccc(/C=C/c2c(F)cccc2F)cn1	299832477	GTUIFCYUYIHSEQ-FNORWQNLSA-N	246.260	3.572	0	1	BHAF	
CC(C)Oc1ccc2nc(C3=CCCC3)[nH]c2c1	586884417	PMRGZYPUXQXWHV-UHFFFAOYSA-N	242.322	3.917	0	1	BHAF	
CC[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4	587215440	OIDKIZQDWFPQSO-LLVKDONJSA-N	237.346	3.848	0	1	BHAF	
COc1cccc(C)c1-c1nc2ccccc2[nH]1	587787544	XIOVCGVWHWKLSN-UHFFFAOYSA-N	238.290	3.547	0	1	BHAF	
Cc1cc2c3c(coc3c1O)C(=O)C[C@@H]2C(C)C	14439236	YZLPKNSDAQJRQW-SECBINFHSA-N	244.290	3.773	0	1	BHAF	biogenic
CC1(C)C[C@H](O)C[C@](C)(CNc2ccccc2)C1	84602855	JWEIHFJNWQTSSS-HOCLYGCPSA-N	247.382	3.676	0	1	BHAF	
CC1=C[C@@]2(C(=O)C(C)C)CC[C@H](C)[C@H]2CC1	85919683	NUTDFMLLZCEHML-GUTXKFCHSA-N	220.356	3.984	0	1	BHAF	
CC1=C2CC[C@@](C)(O)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C	100778054	FPRYGNYXOFHMLF-UKTARXLSSA-N	220.356	3.530	0	1	BHAF	endogenous,in-man
CCCCCC(=O)[C@@H]1C[C@H]2C=C[C@]1(C)C2	238733190	XYGDXLLRBBBIBF-MBNYWOFBSA-N	206.329	3.738	0	1	BHAF	
CCCCCC=CC=CC(=O)NC[C@H](C)CC	2356427540	DNFXVYXFGYXVTF-CQSZACIVSA-N	237.387	3.841	0	1	BHAF	
CCCN1CCC[C@@H](c2c(C)cccc2C)C1	13782155	HBTLGWNZDLWXQJ-OAHLLOKOSA-N	231.383	3.893	0	1	BHAF	in-vivo
CN1CCc2ccc(Cl)c3c2[C@H](CCCC3)C1	27723024	MBJGLFKMFSBMPB-GFCCVEGCSA-N	249.785	3.638	0	1	BHAF	
CN[C@@]12CC=CC[C@@H]1CC(C)(C)c1ccccc12	29571963	KYQRJGRWEFBIRO-DYVFJYSZSA-N	241.378	3.749	0	1	BHAF	
CC(C)=CCC[C@@H](C)CCn1ccnc1	103194674	KFJOCXYLQAGIBJ-CYBMUJFWSA-N	206.333	3.656	0	1	BHAF	
CC(C)=CCC[C@]1(C)[C@@H]2CC[C@@]1(C)[C@@H](O)C2	14919438	SGAYOTORECIFCJ-BARDWOONSA-N	222.372	3.920	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@H]1CC[C@@H]4C1)CC2	587215310	LGNTXYYQDKRLMI-MNOVXSKESA-N	221.303	3.698	0	1	BHAF	
Cc1c[nH]c2ccnc(NC3CCCCC3)c12	1857543877	WXUVPHBVZVFNIE-UHFFFAOYSA-N	229.327	3.616	0	1	BHAF	
CC1=C[C@]2(O)[C@@H](CC1)C(C)=CC[C@@H]2C(C)C	13381197	KIFNZUKQSDESLM-QLFBSQMISA-N	220.356	3.696	0	1	BHAF	biogenic
CC[C@H](C)CCCC[C@@H]1CCCC(=O)O1	14724241	UXLFQDAATOVVOK-NWDGAFQWSA-N	212.333	3.689	0	1	BHAF	biogenic
CC(C)C1=CC[C@]2(C)C[C@H](O)C[C@@H](C)C2=C1	15207144	KNUCOFYQBDJBHF-UXIGCNINSA-N	220.356	3.696	0	1	BHAF	biogenic
Cc1onc(-c2ccco2)c1-c1ccccc1	96909038	KXQLLEQKHARGDS-UHFFFAOYSA-N	225.247	3.910	0	1	BHAF	
Clc1cccc(-c2ccnc3[nH]ccc23)c1	114718639	IENUMFKDRLVZKQ-UHFFFAOYSA-N	228.682	3.883	0	1	BHAF	
Fc1ccc(Nc2ncc3ccccc3n2)cc1	142504004	BMYNHFPPHKNLKA-UHFFFAOYSA-N	239.253	3.513	0	1	BHAF	
C/C1=C\C[C@@H](O)/C(C)=C/[C@@H]2[C@H](CC1)C2(C)C	154532749	AMZJPZQKYICVMX-FNGPIJRTSA-N	220.356	3.696	0	1	BHAF	
Nc1cc(/C=C/c2ccccc2)nc2ccccc12	3780787	ZJFZSWLJSPEDMC-ZHACJKMWSA-N	246.313	3.987	0	1	BHAF	
COc1ccc2cc(-c3ccncc3)ccc2c1	13674495	FTKCLADTNNFFNU-UHFFFAOYSA-N	235.286	3.910	0	1	BHAF	
C[C@H]1NCc2[nH]c3ccccc3c2-c2ccccc21	45495337	ZMTIFSQWMVMPKZ-LLVKDONJSA-N	248.329	3.999	0	1	BHAF	
CC1(C)C[C@H]2[C@H]1CC[C@@](C)(O)[C@H]1CC[C@]21C	85991105	CPLGPDHGFNXBOA-CYHVGBIXSA-N	222.372	3.610	0	1	BHAF	in-man
O=c1c2ccccc2sn1C1CCCCC1	136332465	KKUXIXMLNAPJIV-UHFFFAOYSA-N	233.336	3.568	0	1	BHAF	
c1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]1c1ccncc1	36289326	KNIGVLQBCXKAGG-XHSDSOJGSA-N	221.303	3.525	0	1	BHAF	
CC[C@@H]1C[C@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	195065411	OWBORVXXMMDEAN-JFOHDYCDSA-N	243.394	3.619	0	1	BHAF	
CC(C)=CCC[C@@H](O)[C@H]1CC=C(C)CC1	2356710504	GRWNCQTXRVSTRT-UONOGXRCSA-N	208.345	3.840	0	1	BHAF	
COc1cc2c(cc1C)[C@@H](C(C)C)CCC2=O	14724186	NUHLSFVRQWRAGK-LLVKDONJSA-N	232.323	3.720	0	1	BHAF	biogenic
O=c1oc2ccccc2cc1-c1ccsc1	71329167	AYXHEBIDAQCXLK-UHFFFAOYSA-N	228.272	3.522	0	1	BHAF	
CCC[C@@H]1CCC[C@@]2(CCC[C@H](C)O2)O1	86052049	QXUAOIHBLJZVTQ-YNEHKIRRSA-N	212.333	3.641	0	1	BHAF	
CC[C@@]12N[C@H](Cc3ccccc31)c1ccccc12	100649342	PWOMGUJYIACTOZ-IAGOWNOFSA-N	235.330	3.541	0	1	BHAF	
CC1=C2[C@H](O)[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C	238731672	WKVLBHVKVRZKTI-CVMIBZJCSA-N	220.356	3.530	0	1	BHAF	
CC1=C2C[C@@H](C)CC[C@H]2[C@H](C(C)(C)O)CC1	238764550	WKWATASPNZWAFM-ZKYQVNSYSA-N	222.372	3.920	0	1	BHAF	
CC1(C=Cc2ccccc2)SCCS1	2356306695	QISXAAMXSFLABQ-UHFFFAOYSA-N	222.378	3.896	0	1	BHAF	
COc1cc2c(cc1C)[C@H](C(C)C)C(=O)C[C@H]2C	13381459	MGLWKHLTALUWRL-HWPZZCPQSA-N	246.350	3.820	0	1	BHAF	biogenic
CC(C)C(=O)[C@@H]1CCC2=CCC[C@H](C)[C@@]21C	13385651	DVAATBRDCVSPRO-WHOFXGATSA-N	220.356	3.984	0	1	BHAF	biogenic
CC(C)=CCC[C@@]1(C)[C@H]2CC[C@]1(C)[C@@H](O)C2	70455563	SGAYOTORECIFCJ-ZQDZILKHSA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
CC[C@@H](CCn1cncn1)c1ccc(Cl)cc1	103214237	FGAHRGKCLCDNNS-NSHDSACASA-N	249.745	3.515	0	1	BHAF	
CC(C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587525379	OPYWTIOYZBXSPC-HNNXBMFYSA-N	244.334	3.555	0	1	BHAF	
c1csc([C@@H](NC2=NCCCCC2)C2CC2)c1	39200603	TWDVKGNBRDQESA-AWEZNQCLSA-N	248.395	3.761	0	1	BHAF	
C[C@@H]1CCC/C=C/C/C=C/CCCC(=O)O1	207325209	JSZKXZJGTWVDOI-ORQLPXSXSA-N	222.328	3.775	0	1	BHAF	
C=CC(C)=CC[C@]1(C)C(C(=O)O)=CCC[C@@H]1C	2356579007	NHASXRPHDCXJBS-WFASDCNBSA-N	234.339	3.956	0	1	BHAF	
CC1=C[C@@H]2Cc3occc3C[C@@H]2C(C)(C)C1	2356804007	AAEHWUCEENMLER-OLZOCXBDSA-N	216.324	3.987	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]1CC[C@]1(C)CCC[C@]2(O)C1	100067606	FUQAYSQLAOJBBC-JURCDPSOSA-N	222.372	3.754	0	3	BHAF	in-man
C[C@H]1CC[C@H]2C(C)(C)[C@H](O)[C@@]3(C)CC[C@@]12C3	38588235	UQKRCCOELQIGCU-ZCRGAIPPSA-N	222.372	3.610	0	1	BHAF	
C=Cc1ccc(-c2nc3c(C)cncc3[nH]2)cc1	586882243	XFIYHZHJJVPNGZ-UHFFFAOYSA-N	235.290	3.576	0	1	BHAF	
CC[C@@H](C)c1nc2c(F)c(F)c(F)c(F)c2[nH]1	587955659	KJWSQAQNOOLBBD-SCSAIBSYSA-N	246.207	3.633	0	1	BHAF	
c1cc(-c2ccc3cc[nH]c3c2)c2cc[nH]c2n1	1240413599	WEPFLDYFAWHSDB-UHFFFAOYSA-N	233.274	3.711	0	1	BHAF	
CCCCCn1ccc2cccc(OC)c21	1857636675	OHWBLCGYOCHQQB-UHFFFAOYSA-N	217.312	3.840	0	1	BHAF	
O=N/C(=C1/NC=Cc2ccccc21)c1ccccc1	104020953	WMEYAFOEZMFFLG-FOCLMDBBSA-N	248.285	3.853	0	3	BHAF	
COc1cc(C)c2c(c1)oc1cc(O)cc(C)c12	13484942	ZMMPJNGZIMNMNG-UHFFFAOYSA-N	242.274	3.917	0	1	BHAF	biogenic
C[C@@H]1CC[C@H]2C(C)(C)[C@@H](O)[C@@]3(C)CC[C@@]12C3	14679015	UQKRCCOELQIGCU-FMKNKJFCSA-N	222.372	3.610	0	1	BHAF	biogenic
CC(=O)CC[C@H]1[C@@H](C2=CCC=C2C)C1(C)C	14721249	NYGIBOIEPYXYQN-UONOGXRCSA-N	218.340	3.904	0	1	BHAF	biogenic
CC1=CC[C@@]2(O)[C@@H](C1)[C@@H](C(C)C)CC[C@H]2C	14918713	UNIAPSVPVLDCMD-KBXIAJHMSA-N	222.372	3.776	0	1	BHAF	biogenic
Nc1c2c(nc3c(Cl)cccc13)[C@H]1CC[C@H]2C1	101239477	NNGFBICBXZNRCM-YUMQZZPRSA-N	244.725	3.835	0	1	BHAF	
COC(=O)[C@]12CC[C@H](C)[C@@]13CCC[C@]3(C)C=C2C	238743587	TVCZZGHOJYZDQA-AEAUEXCSSA-N	248.366	3.712	0	1	BHAF	
CC1=C2[C@@H](O)[C@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C	238788114	WKVLBHVKVRZKTI-ZSEWYUTFSA-N	220.356	3.530	0	1	BHAF	
CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587521205	DIXRHZASTJYJDY-INIZCTEOSA-N	244.334	3.699	0	1	BHAF	
CC[C@@H](C)c1nc2ccc3nc(C)ccc3c2[nH]1	587956533	SHOISWNERBWOKF-SECBINFHSA-N	239.322	3.933	0	1	BHAF	
COc1ccc(C=Cc2cccc(OC)c2)cc1	2356480763	PMVLDTCOUSZSHN-UHFFFAOYSA-N	240.302	3.874	0	1	BHAF	
CC1(C)CCC[C@H]1[C@]1(C)C=C[C@](C)(O)CC1	13299415	BQLFIUATYJZEOZ-YUELXQCFSA-N	222.372	3.920	0	1	BHAF	biogenic
C=Cc1c(OC)cc(OC)c2c1OC(C)(C)C=C2	13485153	KXASFFUJZZVVPL-UHFFFAOYSA-N	246.306	3.531	0	1	BHAF	biogenic
CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CO	14860361	MLCVYPBKBQCPDK-YJNKXOJESA-N	222.372	3.778	0	1	BHAF	biogenic
NC[C@H]1C[C@@H]1c1ccccc1-c1ccc(F)cc1	34893669	JWVCXMLPFPAOMK-WBMJQRKESA-N	241.309	3.555	0	1	BHAF	
CO[C@H]1/C=C(\C)Cc2occ(C)c2C/C=C(\C)C1	38321818	NWLNPDFDTSFGEU-JBMXZMKISA-N	246.350	3.984	0	1	BHAF	biogenic,in-vitro
COc1ccc(/C=C\c2cccs2)cc1	40701241	KYPWMKCTXUVDQV-TWGQIWQCSA-N	216.305	3.927	0	1	BHAF	
CC[C@H](Cc1ccc(SC)cc1)NC(C)C	49112336	JPJSEWJNHDIYAS-CYBMUJFWSA-N	237.412	3.728	0	1	BHAF	in-vivo
Clc1cccc(C2=NO[C@@H]3CCCC[C@H]23)c1	95573811	NSICCINQXFMPHF-NWDGAFQWSA-N	235.714	3.633	0	1	BHAF	
CCN1[C@@H]2Cc3ccccc3[C@@H]1c1ccccc12	100649178	AVNLPGZESZWUCY-IAGOWNOFSA-N	235.330	3.709	0	1	BHAF	
CCCC(CCC)NC(=O)c1cccc(C)c1	114429340	PYULILVJJTYTHN-UHFFFAOYSA-N	233.355	3.694	0	1	BHAF	
CC1=C2C[C@H](CO)C(C)(C)[C@@H]2C(C)(C)CC1	238752848	TWBBKSVRWRNTPJ-YPMHNXCESA-N	222.372	3.778	0	1	BHAF	
CSCc1nc2cccc3c2c(c1C)CC3	587217582	XPZJPNVZKJOLHA-UHFFFAOYSA-N	229.348	3.505	0	1	BHAF	
COc1ccc(-c2nc3ccccc3o2)cc1F	28964886	JUEXCBXPJSADRR-UHFFFAOYSA-N	243.237	3.643	0	1	BHAF	
CN[C@H]1C[C@@H](c2ccc(F)cc2)c2ccccc21	29484376	JVGDVUQOPGOQIW-HOTGVXAUSA-N	241.309	3.622	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]1CC[C@@](C)(O)[C@H]1CC[C@]21C	85991101	CPLGPDHGFNXBOA-JQPXUNLUSA-N	222.372	3.610	0	1	BHAF	in-man
CCCCOC[C@H](C)CC=C[C@@H](C)[C@@H](O)CC	2356394614	FADLKENMLJJTQC-KFWWJZLASA-N	242.403	3.793	0	1	BHAF	
CC1=CC[C@H](O)C(C)=C[C@H]2[C@@H](CC1)C2(C)C	2356746925	AMZJPZQKYICVMX-RDBSUJKOSA-N	220.356	3.696	0	1	BHAF	
CC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CO	14860360	MLCVYPBKBQCPDK-TUVASFSCSA-N	222.372	3.778	0	1	BHAF	biogenic
CCCCc1cc2c(N)nc3ccccc3c2o1	96914107	LAGPBZLJJQECOD-UHFFFAOYSA-N	240.306	3.906	0	1	BHAF	
CCC/C=C/C=C/C=C/C(=O)NCCC(C)C	238777730	SCPZCRFWGBTKEW-OBWVEWQSSA-N	235.371	3.617	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(F)c(F)c2[nH]1	586888323	IOPSZQIMKRWXOE-UHLUBPPHSA-N	236.265	3.745	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(F)c(F)cc2[nH]1	586893456	XYXDGPBHXWAHGI-FUXBKTLASA-N	236.265	3.745	0	1	BHAF	
CN(C)c1ccc2ncc(C(C)(C)C)cc2c1	653866675	BWYJJLHTJMZKQK-UHFFFAOYSA-N	228.339	3.598	0	1	BHAF	
CC(C)C1=C[C@@H]2[C@H](CC[C@@]2(C)O)[C@@H](C)CC1	15265236	HRXPPINUMQGJCS-ZGKBOVNRSA-N	222.372	3.776	0	1	BHAF	biogenic
CC12C[C@H]3CC(N)(C[C@H](C1)c1ccccc13)C2	102918032	MAKWIUZPRKKTNB-RBAVJSINSA-N	227.351	3.549	0	1	BHAF	
Cc1cccc2nc(/C=C\c3ccc(N)cc3)[nH]c12	587251325	CRVNLQGGKWAGTH-YFHOEESVSA-N	249.317	3.624	0	1	BHAF	
CC(=CCC[C@@]1(C)[C@@H]2C[C@@H]1CC=C2C)C(=O)O	2356675655	CTORLPNPQPAKGI-GZBFAFLISA-N	234.339	3.790	0	1	BHAF	
CN(C)C[C@H]1C[C@H]1c1cccc2ccccc12	28960242	AEWPIBYOYSOWAL-CZUORRHYSA-N	225.335	3.505	0	1	BHAF	
c1cc2c(ncc3ccc(C4CCCCC4)n32)[nH]1	95584432	BCJVFDDJSOEKKQ-UHFFFAOYSA-N	239.322	3.863	0	1	BHAF	
C/C1=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1	169292049	OVDMFKGCVWVONO-WZCDOVBKSA-N	234.339	3.631	0	1	BHAF	
C/C=C(C)\C=C(\C)c1oc(=O)c(C)c(OC)c1C	214876758	IFHBFWLMLSPISM-XOHWUJONSA-N	248.322	3.635	0	1	BHAF	
CC1=C[C@@H]2[C@@H]3[C@@H]4C[C@](C)([C@H]2C[C@@H](O4)[C@H]3C)[C@H]1C	238739184	QQRSEWRIKDGNQM-WTQKXNQTSA-N	232.367	3.648	0	1	BHAF	
Cc1ccc(-c2c(C)[nH]c3cc(F)ccc23)nc1	587637281	ZRSNFJTYIGFRMK-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
C[C@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@]3(C)O	2555248	SVURIXNDRWRAFU-OBORUHMCSA-N	222.372	3.610	0	1	BHAF	biogenic,in-vitro
CC1(C)OC(C)(C)C2=C1C=Nc1ccccc1N2	5127134	QYGZFMLSDZGLJM-UHFFFAOYSA-N	242.322	3.656	0	1	BHAF	
CCN[C@@]12CCCC[C@@H]1Cc1c(C)cccc12	27721541	XWOSLZNZXCPJMK-CJNGLKHVSA-N	229.367	3.546	0	1	BHAF	
C[C@]12N[C@H](C[C@H]3CCCC[C@@H]31)[C@H]1CCCC[C@@H]12	34614620	FHRWBXVLMJUUQU-GWNLFYIMSA-N	233.399	3.733	0	1	BHAF	
CCN(CC)CCCc1c[nH]c2ccc(F)cc12	66258844	HOTFFUYSAGCIFI-UHFFFAOYSA-N	248.345	3.581	0	1	BHAF	
Cc1cccc2nc(-c3cnc(Cl)s3)[nH]c12	587024003	YSPPRHNKVXYWNY-UHFFFAOYSA-N	249.726	3.648	0	1	BHAF	
C1=Cc2ccccc2O[C]1c1ccccc1	2356822707	KASYPVOQFVIQKW-UHFFFAOYSA-N	207.252	3.672	0	1	BHAF	
CC1=CC[C@H]2C[C@@H]1[C@@]2(C)CC/C=C(/C)CO	13376488	JGINTSAQGRHGMG-XDLSPAJHSA-N	220.356	3.698	0	1	BHAF	biogenic,in-man
CC(C)C1=C[C@H]2[C@@H](C)CC[C@@H]2[C@@](C)(O)CC1	15265243	TUFHRGQKTXJXPF-MXAVVETBSA-N	222.372	3.776	0	1	BHAF	
CCN1CCc2c(Cl)ccc3c2[C@H](CCC3)C1	27716772	LSNZMJWFCKUFCO-GFCCVEGCSA-N	249.785	3.638	0	1	BHAF	
CC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12	100649343	PWOMGUJYIACTOZ-IRXDYDNUSA-N	235.330	3.541	0	1	BHAF	
c1ccc2c(c1)CC[C@H]1[C@H](c3ccncc3)[C@H]21	195247279	KNIGVLQBCXKAGG-HRCADAONSA-N	221.303	3.525	0	1	BHAF	
C[C@H]1CC[C@]23[C@@H]1CC[C@]2(C)C[C@@H](C)[C@@]3(C)O	231159008	PEXFPFKCJPWRDJ-QFEQQRJNSA-N	222.372	3.610	0	1	BHAF	
Cc1cc2c(cc1O)[C@H](C)CC(=O)[C@H]2C(C)C	13381451	CVZKYHWWEFIPFX-PSLIRLAXSA-N	232.323	3.517	0	1	BHAF	biogenic
Fc1ccc2cc(/C=C/c3ccncc3)[nH]c2c1	45195271	MUKKWDLWOVITST-DAFODLJHSA-N	238.265	3.872	0	1	BHAF	
CNC12C[C@@H]3CC(C)(C[C@H](C1)c1ccccc13)C2	73224805	ZNIYFCIQSWTUJU-ZPVISIIKSA-N	241.378	3.810	0	1	BHAF	
Cc1cc2nc(C(C)(C)Cl)[nH]c2cc1Cl	587008272	KTGGKHUIXUBYKO-UHFFFAOYSA-N	243.137	3.999	0	1	BHAF	
CC1=CC(C)(C)[C@]23CCC[C@]12[C@@](C)(O)CC3	14594554	WAFFJCDTFBFQCN-RRFJBIMHSA-N	220.356	3.674	0	1	BHAF	biogenic
C[C@@H]1CCC=C2CC[C@H](C(C)(C)O)[C@H](C)[C@@H]21	2356463376	YEDSHUOBTRDKLW-XWUBHJNHSA-N	222.372	3.776	0	1	BHAF	
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C(=O)O	15148104	ZUSZUAKJXSYYSA-JMSVASOKSA-N	236.355	3.870	0	1	BHAF	biogenic
COc1cccc(/C=C/c2ccc(C#N)cc2)c1	225954232	LEUJDAVALOAZHQ-VMPITWQZSA-N	235.286	3.737	0	1	BHAF	
Cc1ccsc1-c1cc(=O)c2ccccc2[nH]1	1772632343	GDTXKKCTRYYBMN-UHFFFAOYSA-N	241.315	3.565	0	1	BHAF	
CC1=CC[C@H]2[C@H](C)C(=O)O[C@@H]2CC(C)=CCC1	2356471492	QJRFOUJEGHRZIU-MELADBBJSA-N	234.339	3.631	0	1	BHAF	
CC1=CC(C)=CN(CC(=O)c2ccc(C)cc2)[CH]1	2356815213	FBDHFUFPVHONRZ-UHFFFAOYSA-N	240.326	3.505	0	1	BHAF	
CC1=CN2C=C(C)N(Cc3ccccc3)[C]2C=C1	2356826674	VUXZXWDENRWKMY-UHFFFAOYSA-N	237.326	3.629	0	1	BHAF	
C=C(C)[C@@H]1CCC(=O)[C@H]([C@@H](C)CCC(C)=O)C1	13301162	VTZKQIJVPOTFTD-YUTCNCBUSA-N	236.355	3.553	0	1	BHAF	biogenic
CC1=C2[C@@H](O)C[C@H](C)[C@]23CC[C@H](C3)C1(C)C	100302376	ZRRTYQUKAJCICD-XDYICZGBSA-N	220.356	3.530	0	1	BHAF	in-vitro
CC1(C)C[C@@]2(O)[C@@]3(C)CCC[C@]2(C)[C@H]1CC3	100783439	QOXUIQMPPDIDGM-SPWCGHHHSA-N	222.372	3.754	0	1	BHAF	endogenous,in-man
C[C@@H]1[C@H]2C(=O)C[C@H]3[C@H]2C(C)(C)CCC[C@]31C	2356292966	XROGGPRBZBLTOH-AONBZMHBSA-N	220.356	3.674	0	1	BHAF	
CC(C)c1nc2ccccn2c1NC1CCCC1	417908	GIMZFXQDMUOEFN-UHFFFAOYSA-N	243.354	3.812	0	1	BHAF	
CCC[C@@H](C)C[C@H](C)Cc1coc(=O)c(C)c1	15119970	MXIKDHHQNDZAAJ-NEPJUHHUSA-N	236.355	3.953	0	1	BHAF	biogenic
C[C@@H](Cc1cocc1CO)C1=CCC(C)(C)C1	95912704	HKHFXLOHBNXUKB-NSHDSACASA-N	234.339	3.697	0	1	BHAF	biogenic,in-vitro
CC1=CC[C@H]2C[C@H]1[C@@]2(C)CC/C=C(\C)C(=O)O	100779994	CTORLPNPQPAKGI-UQICZJQLSA-N	234.339	3.790	0	1	BHAF	endogenous,in-man
CC1=CC[C@H]2C[C@H]1[C@]2(C)CC/C=C(\C)C(=O)O	100779996	CTORLPNPQPAKGI-JZNYSWDZSA-N	234.339	3.790	0	1	BHAF	endogenous,in-man
C[C@H]1CCC=C2CC[C@H](c3cc3=O)C[C@@]21C	238731062	GKIKMPZURPYPCN-ZIBATOQPSA-N	216.324	3.553	0	1	BHAF	
Cc1ccc2c(c1)CN(C)C[C@@H]2c1ccccc1	34279330	HEKXQZYFIMYCKA-QGZVFWFLSA-N	237.346	3.572	0	1	BHAF	
CC1(C)[C@H]2CC[C@]1(C)[C@H](C1CCC(O)CC1)C2	38655627	LFHQKYSBKVWWOS-WFXBRLAISA-N	236.399	4.000	0	1	BHAF	
C=C1c2ccccc2C(=O)N(C)c2ccc(C)cc21	95556957	XAUVXJYDZFIUQS-UHFFFAOYSA-N	249.313	3.647	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@]3(C)O[C@H](C1)[C@H]23	2356705754	CJPKEQVKLSZFCR-QRTUWBSPSA-N	220.356	3.792	0	1	BHAF	
CCCCN1CCC2(CCc3ccccc32)CC1	1554623	FMVGPDJTALMVAC-UHFFFAOYSA-N	243.394	3.767	0	1	BHAF	
CC1=CCC[C@@]2(C)C[C@H](CO)C(C)(C)[C@@]12C	238765872	SLMBSGIDLMLPQD-VHDGCEQUSA-N	222.372	3.778	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(F)c(C)c2[nH]1	586886821	DLHCXAKWSIDKPO-LKFCYVNXSA-N	232.302	3.914	0	1	BHAF	
Cc1c(C(C)C)nc2cccc3c2c1CC3	587214307	RRCWREBUZCCVLO-UHFFFAOYSA-N	211.308	3.765	0	1	BHAF	
CC1=CCCC(=O)[C@@H]2CC(C)(C)[C@@H]2CC1	606524120	MBZBBVTYLUNZPJ-VXGBXAGGSA-N	206.329	3.738	0	1	BHAF	
CC1=C[C@@H]2[C@H]([C@H](C)O)CCC(C)(C)[C@@H]2CC1	2356443928	DMVUUDMWVRKRFV-IGQOVBAYSA-N	222.372	3.776	0	1	BHAF	
CC(C)=CCC/C(C)=C/C=C/C(=O)N1CCCC1	40981293	YKCYPKYQYASXOV-HTYBMYLDSA-N	247.382	3.858	0	1	BHAF	
O=C1C(c2ccc(Cl)cc2)=Nc2ccccc21	169308437	JFHTUMSONBAJDJ-UHFFFAOYSA-N	241.677	3.657	0	1	BHAF	
CCCCCCOCN1C=CC(=CN=O)C=C1	211457414	BFSFXCFFVXRORM-UHFFFAOYSA-N	236.315	3.534	0	1	BHAF	
CC1=C(CO)C[C@@]2(C)CCCC(C)(C)[C@]12C	2356655925	BIFZUAUNLQJSKA-CABCVRRESA-N	222.372	3.922	0	1	BHAF	
Cc1ccc2c(c1)/C(=C/c1ccncc1)CC2	13610847	JRWJGUYEZHCVMC-RVDMUPIBSA-N	221.303	3.877	0	1	BHAF	in-vivo
CCC[C@@H]1CCC[C@]2(CCC[C@@H](C)O2)O1	14593102	QXUAOIHBLJZVTQ-UPJWGTAASA-N	212.333	3.641	0	1	BHAF	biogenic
CC(C)C1=CC[C@]2(C)CCC[C@@](C)(O)C2=C1	15207149	LGUGFZKFDQBVJK-LSDHHAIUSA-N	220.356	3.840	0	1	BHAF	biogenic
C(=C1\CN2CCC1CC2)\c1ccc2ccccc2c1	40407234	YBFRSHOJJYXSAV-LDADJPATSA-N	249.357	3.949	0	1	BHAF	
CCOc1cc(C(C)(C)C)ccc1-c1ncc[nH]1	96916543	BEGPEHDNFFHAGV-UHFFFAOYSA-N	244.338	3.773	0	1	BHAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H](C)CC=C3C(=O)O[C@H]1[C@@H]32	2356716308	JRAJNCLSYAFYFH-DVAKLYJDSA-N	248.366	3.567	0	1	BHAF	
COC(=O)CC[C@H](C)CCCCC(C)C	2356778703	BUAGASJNVKDZLY-GFCCVEGCSA-N	214.349	3.792	0	1	BHAF	
CC1=CC2=C(CC(C)(C)C2)[C@@H](C)CC[C@@H]1O	2356797438	NXTJUHGOSJNXRS-HZMBPMFUSA-N	220.356	3.840	0	1	BHAF	
N[C@@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1c1ccccc1	3602479	WLYIQVUZQRWOSU-CAOSSQGBSA-N	229.367	3.698	0	1	BHAF	
CCCc1c(CC)c2n3c1CC[C@H]3CC=C2	14611849	AZUQOWDYEGHNQU-LLVKDONJSA-N	215.340	3.907	0	1	BHAF	biogenic
C/C=C\C=C/C=C/C=C/CC[C@@H](O)CC	238760886	MDEBZXWDIHBXDZ-QJLUXRJLSA-N	206.329	3.782	0	1	BHAF	
CC(C)=C[C@@H]1[C@H](C)CC[C@@H]2[C@@H](C)CC[C@@]12O	257520815	QGALFKRHZSPTEG-KHMAMNHCSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
c1csc(-c2ncncc2-c2ccsc2)c1	299855566	BKHLOHHLSMLPAL-UHFFFAOYSA-N	244.344	3.934	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)C1(CCCC1)C4)CC2	587215944	XGRRSIDSCIPZGD-UHFFFAOYSA-N	235.330	3.701	0	1	BHAF	
CC1=C2CC(C)(C)C[C@H]2Cc2coc(C(=O)O)c21	15166917	PTPNJDWWPAJMFA-SECBINFHSA-N	246.306	3.744	0	1	BHAF	biogenic
C[C@@]12N[C@@H](Cc3ccccc31)C[C@@H]1CCCC[C@@H]12	25993556	DMDUWMGEBWRLLD-NXNVCVFFSA-N	241.378	3.626	0	1	BHAF	
Cc1cc(C)nc(-c2ccc3ccc(C)nc3c2)n1	28710053	QOOQRVAAEYZPDS-UHFFFAOYSA-N	249.317	3.617	0	1	BHAF	in-vivo
CC1=CC[C@]2([C@@]3(C)CCC(=O)C3(C)C)C[C@H]12	238732034	WGRPUSWOQOBTEG-UGFHNGPFSA-N	218.340	3.738	0	1	BHAF	
Oc1ccc(C2=CC[C@@H]3CCC[C@H]2C3)cc1	13588105	UOOYEPOTTDZDPN-AAEUAGOBSA-N	214.308	3.986	0	1	BHAF	
C[C@]12CC3C[C@]1(C)CC3(NCc1ccccc1)C2	101532911	NZMXOZPNOMAZGW-JCCCHCCOSA-N	241.378	3.745	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)[C@@](C)(O)CCC2(C)C	2356713210	BOBTWVZHSPRDFC-SCRDCRAPSA-N	208.345	3.530	0	1	BHAF	
N[C@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1c1ccccc1	31598491	WLYIQVUZQRWOSU-JONQDZQNSA-N	229.367	3.698	0	1	BHAF	
CC(C)=C[C@@H]1[C@@H](C)CC[C@H]2[C@H](C)CC[C@]12O	86032865	QGALFKRHZSPTEG-XPABHHOTSA-N	222.372	3.776	0	1	BHAF	in-man
c1ccc2c(c1)[C@H]1CCCN(CC3CC3)[C@H]2C1	169296372	MWUBKKYEPJHFGH-BBRMVZONSA-N	227.351	3.721	0	1	BHAF	
CCCNCCCCc1c(C)cc(C)c(O)c1C	169327723	KZSWWVUUUNSOCR-UHFFFAOYSA-N	249.398	3.640	0	1	BHAF	
COc1ccc(Oc2ccccc2CN=O)cc1	169689392	HJEFTOGMPHEHME-UHFFFAOYSA-N	243.262	3.754	0	1	BHAF	
CC(C)=C[C@]1(O)[C@@H](C)CC[C@H]2[C@@H](C)CC[C@H]21	238781737	JOARPSTUQGJONT-LXFSFDBISA-N	222.372	3.776	0	1	BHAF	
CC(C)=CCC/C(C)=C/c1nc2cncnc2[nH]1	587969550	ZEQRKMRQWIHQOD-YRNVUSSQSA-N	242.326	3.503	0	1	BHAF	
CC1=C2C[C@@H](CO)C(C)(C)[C@H]2C(C)(C)CC1	2356375166	TWBBKSVRWRNTPJ-WCQYABFASA-N	222.372	3.778	0	1	BHAF	
CC(=CCCc1ccoc1)Cc1ccco1	2356808034	YJRBXZVGXIJIFJ-UHFFFAOYSA-N	216.280	3.994	0	1	BHAF	
C[C@@]12N[C@H](C[C@H]3CCCC[C@@H]31)c1ccccc12	100659865	ASEZTUXOIVZOLB-WXYCVUISSA-N	227.351	3.756	0	1	BHAF	
C[C@@H]1CC[C@H]2CC3=C(C(=O)O)CC[C@@]31C2(C)C	103146590	MFODEBYPUFXURM-FTGAXOIBSA-N	234.339	3.624	0	1	BHAF	
C[C@]12CC[C@@H](c3ccc(O)cc3)C[C@H]1CCC2=O	103298395	CQXOEKVDLFCWTB-IOASZLSFSA-N	244.334	3.645	0	1	BHAF	
C[C@H]1C[C@@H]2CN3C4=CCCC[C@]4(C)CC[C@@]3(C1)O2	136932895	QMPWQRJTYXYLLG-XNISGKROSA-N	247.382	3.681	0	1	BHAF	
c1ccc([C@@]23CCC[C@@H](C2)N(CC2CC2)C3)cc1	33828473	GFPKTVRABNHTHD-IRXDYDNUSA-N	241.378	3.593	0	1	BHAF	
CC1(C)[C@@H]2CC[C@]3(C)CCC[C@](C)(O)[C@H]3[C@@H]21	33832364	CJRKEDMYNFITCQ-MUGBGTHKSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
CCc1ccc2nc(C(C)(C)CSC)[nH]c2c1	586969825	YXQHMPDPLINYFK-UHFFFAOYSA-N	248.395	3.766	0	1	BHAF	
Fc1ccc2nc(/C=C/c3ccsc3)[nH]c2c1	587026148	RTQFFNKYRFKLNI-DAFODLJHSA-N	244.294	3.934	0	1	BHAF	
c1cc2c3c(c(C4CCCC4)cnc3c1)CC2	587213529	JSZCUVYCADTFAK-UHFFFAOYSA-N	223.319	3.991	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)CCCCC4)CC2	587215971	XNOCJDIAOGGEPO-UHFFFAOYSA-N	223.319	3.602	0	1	BHAF	
Oc1c(-c2ccc(F)cc2)[nH]c2cccc(F)c12	587634275	FMYRBFCUOUQFCK-UHFFFAOYSA-N	245.228	3.819	0	1	BHAF	
Cc1c(-c2cccc(N)c2)[nH]c2cccc(F)c12	587635070	CUHOZOKFCCLCDS-UHFFFAOYSA-N	240.281	3.865	0	1	BHAF	
CC(CO)=C1CC(C)(C)C[C@@H]2[C@@H](C)CC[C@H]12	2356817244	DJBXKQSFHIRXRM-WCFLWFBJSA-N	222.372	3.778	0	1	BHAF	
C[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C	15147857	XSGDPVPUQBOYGK-MYZSUADSSA-N	224.388	4.000	0	1	BHAF	biogenic
C[C@@H]1C(=O)[C@@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]32[C@@H]1C	238761622	KNWPIWZJQKHSTH-IDMWBNCISA-N	220.356	3.674	0	1	BHAF	
COc1ccc([C@@H]2C[C@H]2c2ccccc2)cc1	3161116	GLURZDVUJCOVBV-HOTGVXAUSA-N	224.303	3.966	0	1	BHAF	biogenic
CC1(C)C[C@@H]2C[C@]3(C)[C@H](O)CC[C@]3(C)[C@@H]2C1	13385045	MIUZCESAFHFHFT-URFZWBKFSA-N	222.372	3.610	0	1	BHAF	biogenic
c1ccc(-c2ccc3c(c2)C[C@@H]2CNC[C@@H]3C2)cc1	101023928	MDGLXPGRXDKFKE-GUYCJALGSA-N	249.357	3.603	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]2(C)[C@@H](O)[C@H]31	238738155	MNNFKQAYXGEKFA-SQLGEJSKSA-N	222.372	3.610	0	1	BHAF	
CC1(C)CCC[C@]2(C)C=C[C@@](C)(O)[C@@H]3C[C@]312	238783106	IGXJBCISDKDDOU-MYPMTAMASA-N	220.356	3.530	0	1	BHAF	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(C)cc2[nH]1	586911849	MQQLZVUJWYQBAU-SMDDNHRTSA-N	244.338	3.544	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)-c1ccoc1CC4)CC2	587216296	ZECUAHSMYKHEGP-UHFFFAOYSA-N	247.297	3.692	0	1	BHAF	
CC(C)=C[C@H]1CC(=O)c2cc(Cl)ccc2O1	40862979	ULZQGYIDQCQREN-JTQLQIEISA-N	236.698	3.640	0	1	BHAF	
CC1(C)CCc2c(ccc3cc(O)ccc23)O1	43066744	NRRZIWAWAOFFFG-UHFFFAOYSA-N	228.291	3.649	0	1	BHAF	
C/C1=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C\CC1	169292051	OVDMFKGCVWVONO-KGJVYQDZSA-N	234.339	3.631	0	1	BHAF	
CC(C)[C@H](/C=C/[C@]1(C)CCCO1)CC[C@H](C)O	238736024	YOMJFGRYEWDLQO-XACVDLTFSA-N	240.387	3.545	0	1	BHAF	
CC1=C(CO)C[C@]2(C)CC[C@H](C)[C@@H](C)[C@@]12C	2356387936	LQSXQOJTPQIGMH-JLUCKKNBSA-N	222.372	3.778	0	1	BHAF	
CC(=CCC[C@H](C)c1ccc(C)cc1)CO	2356429712	FXCIQPDJVYFUQG-AWEZNQCLSA-N	218.340	3.817	0	1	BHAF	
C=C1CCC[C@H](C(=O)O)CC[C@@H]2[C@@H]1CC2(C)C	14920580	RKHVEZWVFYPTNH-YNEHKIRRSA-N	236.355	3.870	0	1	BHAF	biogenic
CC1=CCC[C@@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	15209410	FCSRUSQUAVXUKK-YDHLFZDLSA-N	222.372	3.920	0	1	BHAF	
CC1=CC[C@H]2C[C@@H]1[C@@]2(C)CC/C=C(\C)CO	33829743	JGINTSAQGRHGMG-STXKUDJMSA-N	220.356	3.698	0	1	BHAF	biogenic,in-vitro
O=C1c2ccccc2-c2noc(-c3ccccc3)c21	39403378	HONGZKRJKHKUQR-UHFFFAOYSA-N	247.253	3.553	0	1	BHAF	
Cc1cc(Cc2ccccc2)oc(=S)c1	299820825	CZDMPAZPNOXDFR-UHFFFAOYSA-N	216.305	3.908	0	1	BHAF	
CCCn1c(C)c(CC)c2cc(N(C)C)ccc21	26493039	TUDFPZUTRCDWDJ-UHFFFAOYSA-N	244.382	3.988	0	1	BHAF	
CC1=CCC[C@@H]2CC[C@@H](C(C)(C)O)C[C@H]12	2356485493	IPZIYGAXCZTOMH-JHJVBQTASA-N	208.345	3.530	0	1	BHAF	
c1ccc(-c2ncc3c(n2)-c2ccccc2C3)cc1	14970129	GOMPLLCNQNCUNU-UHFFFAOYSA-N	244.297	3.715	0	1	BHAF	in-vivo
CN(C)C[C@@H]1C[C@@H]1c1csc2ccccc12	28960069	AQBBMDYZYWMBQN-JQWIXIFHSA-N	231.364	3.566	0	1	BHAF	
C[C@H]1CC[C@@]2(O)[C@H]3[C@@H]1CC[C@]2(C)CC3(C)C	238733544	VSMRSZNKBPLDSY-SZWZKDINSA-N	222.372	3.610	0	1	BHAF	
CC1=C2C(C)(C)[C@@H](CO)C[C@@]2(C)CC[C@@H]1C	2356770639	CUFZOTYNOCYVBK-JVLSTEMRSA-N	222.372	3.778	0	1	BHAF	
FC1=C2CCCCC[C@@H]2SC1(F)F	1639465	ZYWBGTOSOLVSIJ-ZETCQYMHSA-N	208.248	3.882	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC1)C(CO)=CC[C@@H]2C(C)C	12153200	XDKFSOYELINRIA-ILXRZTDVSA-N	220.356	3.554	0	1	BHAF	biogenic
c1ccc(-c2ccc(Cc3cccnc3)cn2)cc1	96282877	AVUOTDMJPVSEJC-UHFFFAOYSA-N	246.313	3.734	0	1	BHAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@@](C)(O)[C@@H]1C2	104366586	IRDFGGRWKUKANK-BYNSBNAKSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](C(C)C)N1	962944757	FEMXLXNUYVHGNU-NHYWBVRUSA-N	242.366	3.789	0	1	BHAF	
Cc1cc(/C=C/c2ccccn2)cc(C)c1O	29551097	FDAUKGHWWDPCEV-VOTSOKGWSA-N	225.291	3.574	0	1	BHAF	
CCCN1CCC(n2ccc3ccccc32)CC1	79614427	GILILHAGYRMOAM-UHFFFAOYSA-N	242.366	3.688	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(F)c(F)cc2[nH]1	586893457	XYXDGPBHXWAHGI-UHLUBPPHSA-N	236.265	3.745	0	1	BHAF	
Fc1cc2nc(C=C3CCC3)[nH]c2c(F)c1F	587965347	RGAACPPBZCTQBU-UHFFFAOYSA-N	238.212	3.548	0	1	BHAF	
CC(C)[C@@H]1CC[C@@H](C)C2=CC=C(C(=O)O)[C@H]2C1	2356450108	IHNAAHBUSNYLDV-GYSYKLTISA-N	234.339	3.646	0	1	BHAF	
CC=C(c1ccccc1)c1ccccc1N	2356641380	NQNZNKREFIVLAK-UHFFFAOYSA-N	209.292	3.720	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@@H](C)[C@]2(NC=O)CC1	2356794852	LMQMCMBFYYSOGV-QKPAOTATSA-N	249.398	3.530	0	1	BHAF	
COc1ccc([C@H]2C[C@H]2c2ccccc2)cc1	3161115	GLURZDVUJCOVBV-JKSUJKDBSA-N	224.303	3.966	0	1	BHAF	biogenic
CN[C@H]1c2ccccc2CSc2sccc21	6179274	VZGHHWFXUKTTOM-LBPRGKRZSA-N	247.388	3.663	0	1	BHAF	
CC(C)c1cccc(OCCCc2c[nH]cn2)c1	13580352	BVWCYMBNZQPWDI-UHFFFAOYSA-N	244.338	3.545	0	1	BHAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@H]1C3	100193248	GGHMUJBZYLPWFD-ZZVJUGKHSA-N	222.372	3.610	0	1	BHAF	in-vitro
CC[C@]1(C)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1	586888324	IOPSZQIMKRWXOE-WPPNPWJKSA-N	236.265	3.745	0	1	BHAF	
Cc1ccccc1O[C@]12CCC[C@H](CC(=O)C1)C2	29411197	JDAUYCQTBJPOOU-CJNGLKHVSA-N	244.334	3.666	0	1	BHAF	
CCCC=CC=CC=CC(=O)NCCC(C)C	2356641501	SCPZCRFWGBTKEW-UHFFFAOYSA-N	235.371	3.617	0	1	BHAF	
Cc1ccccc1[C@@H]1CC(c2ccccc2)=NO1	6491583	YKKKNWMVAVUVKL-INIZCTEOSA-N	237.302	3.861	0	1	BHAF	
CN1c2ccccc2C2=C(O)c3ccccc3[C@@H]21	95589225	JLZAODCBOKWOGQ-HNNXBMFYSA-N	235.286	3.617	0	1	BHAF	
CC1=C[C@H]2[C@@H]([C@H](C)O)CCC(C)(C)[C@@H]2CC1	238752606	DMVUUDMWVRKRFV-RFQIPJPRSA-N	222.372	3.776	0	1	BHAF	
CC1=C2C[C@H](C(C)(C)O)CC[C@H](C)[C@H]2CC1	2356485057	QWMCMMDXNNGJGG-CYZMBNFOSA-N	222.372	3.920	0	1	BHAF	
O=Nn1c2ccccc2c2cc(Cl)ccc21	45352546	TWYFKGGOHHQTDL-UHFFFAOYSA-N	230.654	3.977	0	1	BHAF	
Cc1coc(C(=O)[C@H](C)c2ccc(C)c(O)c2)c1	200698827	YKGRPAXRFUOTAY-LLVKDONJSA-N	244.290	3.588	0	1	BHAF	
F[C@H]1CCCc2c1nc1cccc3c1c2CC3	587212414	IITXKNPVGXVKCT-LBPRGKRZSA-N	227.282	3.680	0	1	BHAF	
C[C@@]12C[C@@H]1CCc1c2nc2cccc3c2c1CC3	587215991	XSTLOCBCTKDJKN-APPDUMDISA-N	235.330	3.557	0	1	BHAF	
CC1=C2CC[C@](C)(O)[C@@H]2[C@@H]2[C@H](CC1)C2(C)C	13372973	FPRYGNYXOFHMLF-ABHRYQDASA-N	220.356	3.530	0	1	BHAF	endogenous,in-man
CCC[C@H]1CCC[C@@]2(CCC[C@@H](C)O2)O1	14593101	QXUAOIHBLJZVTQ-FRRDWIJNSA-N	212.333	3.641	0	1	BHAF	
CC1(C)CCC[C@]2(C)C[C@](C)(O)CC[C@@H]12	14614780	SJRWAGBQZRSZEQ-IACUBPJLSA-N	210.361	3.754	0	1	BHAF	
C[C@H]1CC[C@H]2C(C)(C)[C@@](C)(O)[C@@H]3CC[C@]12C3	33950731	IJVXAOHQRPSJDV-XXUMUBMXSA-N	222.372	3.610	0	1	BHAF	biogenic,in-vitro
CCCCCCN1Cc2cc(C)ccc2NC1=O	58487711	MRAGZZSOWVODKR-UHFFFAOYSA-N	246.354	3.923	0	1	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@]3(C)CC[C@]12C3	135745486	UQKRCCOELQIGCU-NUNXZZDCSA-N	222.372	3.610	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1	586886009	AVNRUDSFWMLRFE-AMIZOPFISA-N	249.745	3.823	0	1	BHAF	
CC=CC=CCCC=CC=CC(=O)NCC(C)C	2356412604	VLGRWXYRKYWRPX-UHFFFAOYSA-N	247.382	3.784	0	1	BHAF	
C[C@@H]1CCC[C@@]23C[C@@H](CC[C@@]12C)[C@@](C)(O)C3	14694345	XMGYHZMNIUZSLJ-MRLBHPIUSA-N	222.372	3.754	0	1	BHAF	biogenic
CCC[C@H](C)C[C@H](C)Cc1coc(=O)c(C)c1	15119971	MXIKDHHQNDZAAJ-RYUDHWBXSA-N	236.355	3.953	0	1	BHAF	biogenic
c1cncc([C@H]2[C@H]3CCc4ccccc4[C@@H]32)c1	169368471	QRKOWDMRFAGLGC-PMPSAXMXSA-N	221.303	3.525	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(C)c(F)cc2[nH]1	586888856	JVAQAHJSSZSBGN-YMTOWFKASA-N	232.302	3.914	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@H]1c1cccs1	13755498	HKWCDGQNESCBNT-VXGBXAGGSA-N	223.385	3.726	0	1	BHAF	
C=C(c1ccnc(C)c1)c1ccc2c(ccn2C)c1	1857611646	LDLCLBUSALMBQR-UHFFFAOYSA-N	248.329	3.943	0	1	BHAF	
CC1(C)C=CC=C2Cc3occc3CC[C@@H]21	14636189	IDTXREDMBPNYPJ-ZDUSSCGKSA-N	214.308	3.907	0	1	BHAF	biogenic
Cc1cccc2cc(-c3ccccc3)c(=O)oc12	39618171	PLAVSMPTDXATIE-UHFFFAOYSA-N	236.270	3.768	0	1	BHAF	
Oc1cc(F)cc(/C=C/c2ccc(F)cc2)c1	45373416	UNFGQWYRZITXRD-OWOJBTEDSA-N	232.229	3.841	0	1	BHAF	
CC(C)CNc1cc2c(cn1)[nH]c1ccccc12	66074574	LSKZONQVXXSOOB-UHFFFAOYSA-N	239.322	3.784	0	1	BHAF	
c1ccc2cc(-c3cnsc3)ccc2c1	103221146	SXXRSDAAHHXDAW-UHFFFAOYSA-N	211.289	3.963	0	1	BHAF	
CN1[C@]2(C)c3ccccc3[C@]1(C)[C@@H]1CCCC[C@@H]12	169365264	IUXYFUGTQWYCGM-XLNGHYISSA-N	241.378	3.882	0	1	BHAF	
c1ccc2c(c1)CC[C@@H]1[C@H](c3ccncc3)[C@@H]21	169369850	KNIGVLQBCXKAGG-PMPSAXMXSA-N	221.303	3.525	0	1	BHAF	
CC(=O)c1ccc(/C=C/c2ccc(O)cc2)cc1	221468852	KKLUCHAIDVFSBK-NSCUHMNNSA-N	238.286	3.765	0	1	BHAF	
Cc1coc2c(O)c3c(c(C)c12)CC[C@H](C)C3	238781712	UDXHBCLNVLIJCT-QMMMGPOBSA-N	230.307	3.880	0	1	BHAF	
COc1cc2[nH]c3cccc(OC)c3c2cc1C	13334740	QZDZVZYFGAXQRH-UHFFFAOYSA-N	241.290	3.647	0	1	BHAF	biogenic
Cc1ccc2c(c1)-c1nc3ccccc3c(N)c1C2	13808523	ZVNZKFGWNIWFMC-UHFFFAOYSA-N	246.313	3.697	0	1	BHAF	
Cc1coc2c1[C@@H]1OC[C@@H]3CCC[C@@H](C2)[C@]31C	15160424	GVXGFKKETSYSMF-LWWSYDQCSA-N	232.323	3.638	0	1	BHAF	biogenic
CC1=C[C@@]2(CC1)[C@@H](C)CC[C@@H]1[C@H](C)CO[C@@H]12	231162541	HEQABJJODXEQEX-SEBNEYGDSA-N	220.356	3.794	0	1	BHAF	
Cc1cc([C@]2(C)CC[C@H](C(C)C)O2)co1	238771964	YMGVCVXPMGCDBS-OLZOCXBDSA-N	208.301	3.638	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(F)cc2[nH]1	586887746	HOUZFZZGEWASLI-TVQRCGJNSA-N	218.275	3.606	0	1	BHAF	
C[C@@H]1CCC[C@@H]2CCC(C(C)(C)O)=C[C@@]12C	2356404803	XEXRDVPNNGVFNR-JMSVASOKSA-N	222.372	3.920	0	1	BHAF	
C[C@H]1CCC=C2CC[C@@H](C(C)(C)O)C[C@]21C	6037475	MQWIFDHBNGIVPO-LNSITVRQSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
COc1cc(C)c2oc(=O)c(C)cc2c1C(C)C	14485618	YJBNXTWWWBZJCY-UHFFFAOYSA-N	246.306	3.542	0	1	BHAF	biogenic,in-vitro
CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)(C)O)CC1	238758986	HUCBLFQXYARCGJ-ZIAGYGMSSA-N	220.356	3.840	0	1	BHAF	
F[C@@H]1CCCc2c1nc1cccc3c1c2CC3	587212413	IITXKNPVGXVKCT-GFCCVEGCSA-N	227.282	3.680	0	1	BHAF	
COc1cccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c12	587967045	KZFMMCRALRWVEN-GHMZBOCLSA-N	242.322	3.641	0	1	BHAF	
CC(=O)O[C@@H]1C[C@@H]2C=CC[C@@H](C(C)C)[C@@H]2C=C1C	2356799493	UNERXIBGMVIOQL-CAOSSQGBSA-N	248.366	3.733	0	1	BHAF	
C[C@H]1CCC2=C(C(C)(C)O)CC(C)(C)C[C@@H]21	13379052	AXUFTLZFRGHJAV-CMPLNLGQSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1=CC[C@]2(O)[C@@H](C)CCC(=C(C)C)[C@@H]2C1	13381159	VXQLDLRZLVFYFR-QEJZJMRPSA-N	220.356	3.840	0	1	BHAF	biogenic
COc1ccc2c(c1)/C(=C\c1ccncc1)CC2	13610841	VFFWGGPPTWJBON-UVTDQMKNSA-N	237.302	3.577	0	1	BHAF	in-vivo
c1ccc(-c2ncc3c(n2)Cc2ccccc2-3)cc1	14970122	WKNLNSYWILENQR-UHFFFAOYSA-N	244.297	3.715	0	1	BHAF	in-vivo
Cc1cc(-c2nc3ccccc3o2)cc(C)c1O	16052438	NORYHCMDDBZXDX-UHFFFAOYSA-N	239.274	3.817	0	1	BHAF	in-vivo
CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1OC	27409009	NHIZHIQMHLZUQZ-HUUCEWRRSA-N	247.382	3.673	0	1	BHAF	
CCCc1nc2cc(Cl)c(Cl)cc2n1C	36473950	LMUQUEHDGGDWLK-UHFFFAOYSA-N	243.137	3.833	0	1	BHAF	
COc1cc2cc(C(C)C)oc2cc1OC	85947579	IRHUBAJNVOOYCE-UHFFFAOYSA-N	220.268	3.573	0	1	BHAF	
Cc1ccc2c(ccc3nc(C=C4CCC4)[nH]c32)n1	587965693	VKGPINPIQAHYRU-UHFFFAOYSA-N	249.317	3.987	0	1	BHAF	
CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](C(C)C)N1	962944756	FEMXLXNUYVHGNU-IAQYHMDHSA-N	242.366	3.789	0	1	BHAF	
CC1=C[C@@H]2[C@H]([C@@H](C)O)CCC(C)(C)[C@@H]2CC1	2356443930	DMVUUDMWVRKRFV-XJFOESAGSA-N	222.372	3.776	0	1	BHAF	
CC(C)Oc1cc2c(cn1)[nH]c1ccccc12	6858948	AKHQVIZELNFWSQ-UHFFFAOYSA-N	226.279	3.503	0	1	BHAF	
CCC[C@H](c1nc2cccc(O)c2[nH]1)C(C)C	587956451	RGKLOTVJTYKUFU-JTQLQIEISA-N	232.327	3.808	0	1	BHAF	
Cc1nc(Nc2ccc(F)cc2)c(C)c(C)c1O	1772621985	FLXPQPJIONADGI-UHFFFAOYSA-N	246.285	3.595	0	1	BHAF	
CCCC(=O)O[C@H](C)[C@@H](C)[C@@H](C)CCC	2356442587	IYALVKCBXNBPSJ-SDDRHHMPSA-N	214.349	3.791	0	1	BHAF	
CC=C(C)C=CC=C[C@@H]1[C@@H]2C[C@H]2[C@H]2CCCCN12	2356856117	RXGCHRLOGKSOBG-QBPKDAKJSA-N	243.394	3.938	0	1	BHAF	
CC1=CC[C@@]2(C[C@H]1O)[C@H](C)CC[C@@H]2C(C)C	13307514	WBVRKDUUNZBZET-KBUPBQIOSA-N	222.372	3.776	0	1	BHAF	
CC[C@@H](C)c1cc([C@H](O)C(F)(F)F)ccc1O	84729581	GQQBRVZIRYZGGU-HQJQHLMTSA-N	248.244	3.501	0	1	BHAF	
Cc1ccccc1O[C@@]12CCC[C@H](CC(=O)C1)C2	101221588	JDAUYCQTBJPOOU-CZUORRHYSA-N	244.334	3.666	0	1	BHAF	
CCCC1(c2nc3ccnc(Cl)c3[nH]2)CCC1	586877717	LORZMYIFYSDFSH-UHFFFAOYSA-N	249.745	3.833	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2cc(Cl)cnc2[nH]1	587966335	CZVZOZFUIIVKSV-PSASIEDQSA-N	247.729	3.681	0	1	BHAF	
Cc1ccc(C(C)C)c2cc(C(=O)O)ccc12	13381375	YWCDNPYVVGGCFN-UHFFFAOYSA-N	228.291	3.970	0	1	BHAF	biogenic
CC1(C)C[C@H]2CCCC[C@@]2(N)c2ccccc21	26147490	FOWWAUKLSZHEHK-WBMJQRKESA-N	229.367	3.712	0	1	BHAF	
CC1=CC[C@H]2[C@H]3[C@@H]1O[C@]2(C)CC[C@H]3C(C)C	95912447	ZCGARNDXHSUWKI-BTFPBAQTSA-N	220.356	3.792	0	1	BHAF	biogenic,in-vitro
CC1(C)CCC[C@@H]2C=C(C(=O)O)[C@@H]3CC[C@@]21C3	14618089	KXVCZWQOMYHQSO-UEKVPHQBSA-N	234.339	3.624	0	1	BHAF	
c1ccc2nc(-c3c[nH]c4ccccc34)cnc2c1	26282162	JOQNEXGXXIUQTI-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
CCC/C=C1\OC(=O)c2c(C)cc(C)cc21	96284711	LCBSEHSZZUTWLF-SDQBBNPISA-N	216.280	3.615	0	1	BHAF	
CCCCCC=CC=CC(=O)N[C@@H](C)CC	2356340503	QMIWSRNEYNUYFE-ZDUSSCGKSA-N	223.360	3.594	0	1	BHAF	
C[C@@H]1C[C@@H]2[C@@]1(C)CCC1=CCC[C@@]2(O)CC1	2356579506	AQWYRDGVUURYEI-REBRKWNGSA-N	220.356	3.674	0	1	BHAF	
CCCCCc1cc(=O)c2ccccc2o1	34134904	GQCICUULWHYWTB-UHFFFAOYSA-N	216.280	3.526	0	3	BHAF	
COCCCCCCCCCC[C@H](F)C(=O)O	6482900	YQPQOBVFFLOPAA-LBPRGKRZSA-N	248.338	3.566	0	1	BHAF	
COC(=O)/C(C)=C\CCc1ccc(C(C)C)cc1	238787728	ARJQDAMXWKRPTE-MLPAPPSSSA-N	246.350	3.862	0	1	BHAF	
C[C@H]1CCC2=C(C(=O)O)C(C)(C)CC[C@@]21C	2356848661	PHGGTDBZXHQBFS-LKFCYVNXSA-N	222.328	3.624	0	1	BHAF	
c1ccc2cc3[s+]snc3cc2c1	5810705	MZUUWCDPHXYBGZ-UHFFFAOYSA-N	204.299	3.792	0	1	BHAF	
CC(C)=CCC/C(C)=C/CNCc1cccnc1	13827402	RVKRRDUUQJBFOY-OQLLNIDSSA-N	244.382	3.864	0	1	BHAF	
CC1=CC[C@H]2[C@@H](C1)C(=C(C)C)CC[C@]2(C)N	82047521	VLGSOUCSNXCRMI-KKUMJFAQSA-N	219.372	3.807	0	1	BHAF	
CCCCCCOc1ccc(-n2ccnc2)cc1	103187605	BEKSTGUPICQJON-UHFFFAOYSA-N	244.338	3.831	0	1	BHAF	
O=C(c1ccccc1)c1ccn(-c2ccccc2)c1	169333550	VZSGMMFVBSYQGQ-UHFFFAOYSA-N	247.297	3.708	0	1	BHAF	
COC(=O)[C@H](C)CCC[C@]1(C)C[C@@H]2CC[C@H]1C2	238780583	HURCCZSSOPDIHO-GUIRCDHDSA-N	238.371	3.792	0	1	BHAF	
CC1=CC[C@H]2[C@H](C)[C@H]3CC(=C(C)C)[C@H]2[C@H]1O3	2356428216	BQMNCSAUWHVXSY-OPYWOCCESA-N	218.340	3.712	0	1	BHAF	
CN1CC[C@@]23CCCC[C@]12CCc1ccccc13	2356543152	HRVFWGHILZIZQQ-IAGOWNOFSA-N	241.378	3.519	0	1	BHAF	
CC(C)N[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2	27704270	OJYLNXVPGPJQFN-KMFMINBZSA-N	241.378	3.867	0	1	BHAF	
CCN[C@@]12CCCC[C@H]1Cc1c(C)cccc12	27721552	XWOSLZNZXCPJMK-BBRMVZONSA-N	229.367	3.546	0	1	BHAF	
CC[C@@H]1C[C@@]2(C)c3ccccc3C[C@@H]([C@H]2C)N1C	253634130	OWBORVXXMMDEAN-QIJZBDPFSA-N	243.394	3.619	0	1	BHAF	
CC(C)CC(=O)c1cc2c3c(cccc3n1)CC2	587214081	NXVBEIQSEQWKQM-UHFFFAOYSA-N	239.318	3.562	0	1	BHAF	
CC1=CCCC(=O)[C@H]2CC(C)(C)[C@H]2CC1	606524119	MBZBBVTYLUNZPJ-RYUDHWBXSA-N	206.329	3.738	0	1	BHAF	
CCCN(C)CCCCCc1ccccc1	13736072	UKCLXTUJNBOJII-UHFFFAOYSA-N	219.372	3.741	0	1	BHAF	
CC(C)=CCC[C@]1(C)CC[C@](C)(O)[C@@H]2C[C@@H]21	14923067	PFCPCHNLDBDZOS-YJNKXOJESA-N	222.372	3.920	0	1	BHAF	biogenic
Cc1ccc(-c2ccccc2[C@@H]2CCNC2)cc1	96175932	KJUSKAJDKDLWPG-OAHLLOKOSA-N	237.346	3.739	0	1	BHAF	
C[C@@H]1CCC[C@]23C[C@@H](CC[C@@]12C)[C@@](C)(O)C3	101707359	XMGYHZMNIUZSLJ-NIFZNCRKSA-N	222.372	3.754	0	1	BHAF	
O=C(O)CCC[C@@H]1CC[C@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21	102184793	WWHSTYPFQBWANZ-PPWXVPFTSA-N	248.366	3.560	0	1	BHAF	
CCCCCCNc1nc(C)c(O)c(C)c1C	143841481	IAGAPJLNENGNGK-UHFFFAOYSA-N	236.359	3.705	0	1	BHAF	
Cc1cc(-c2sccc2C)cnc1C	146947764	UNVUWRGIOSBGGB-UHFFFAOYSA-N	203.310	3.735	0	1	BHAF	
CC1=C[C@@H]2C[C@](C)(O)C[C@H](C)[C@H]2[C@H](C)CC1	2356524740	CQZPGEQDHSSUQN-XLWJZTARSA-N	222.372	3.776	0	1	BHAF	
CC1=CCC[C@@]2(C)C1=CC(=O)O[C@H]2c1ccoc1	5767049	PFXGEOGHUCCQPU-GJZGRUSLSA-N	244.290	3.550	0	1	BHAF	biogenic
CC(C)=CC[C@@H](O)/C(C)=C/CCc1ccoc1	15221758	YDZSKSNVPYIKRS-DTHCKZEYSA-N	234.339	3.876	0	1	BHAF	
CN[C@]1(C)c2ccccc2CCC12CCCC2	26146826	BEQBMDDGNUFTEO-OAHLLOKOSA-N	229.367	3.628	0	1	BHAF	
CCc1ccc(Oc2cc(C)ccc2N)c(O)c1	95578103	XPTHLTINAHWVCE-UHFFFAOYSA-N	243.306	3.638	0	1	BHAF	
CC1=C2CC[C@]2(C)[C@H]2C[C@@](C)(CO)C[C@H]2C1	238769228	CEHAGMRKIZPEMS-UNQGMJICSA-N	220.356	3.532	0	1	BHAF	
Cc1ccc([C@@H](C)CC=CC(C)(C)O)cc1	2356417557	FCWODWIUPFWVDN-ZDUSSCGKSA-N	218.340	3.816	0	1	BHAF	
C[C@@H]1CCC2=C3[C@@H]1CC[C@]3(C)C[C@@]2(C)CO	2356863833	UTKCUTQPQQMYJI-FKGLVLAHSA-N	220.356	3.532	0	1	BHAF	
Cc1cc(-c2cc(Cl)ccc2Cl)no1	45186783	PKACNQGKLILEMW-UHFFFAOYSA-N	228.078	3.957	0	1	BHAF	
Cc1ccc2nc(C3=CCCC3)[nH]c2c1C	586882736	ASKSLRVWJLDSAL-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
CCCC/C=C/c1nc2cc(OC)c(F)cc2[nH]1	587964941	FJLNSGIZKPLHJX-VOTSOKGWSA-N	248.301	3.914	0	1	BHAF	
CCCc1cn(C/C=C(\C)CCC=C(C)C)nn1	1857653584	FELSWQRLUPUYEB-GXDHUFHOSA-N	247.386	3.923	0	1	BHAF	
CCCCCC=CC=CC(=O)N1C=CCCC1	2356527159	XONHEUHVKZYWGU-UHFFFAOYSA-N	233.355	3.815	0	1	BHAF	
Cc1cc2c(O)ncc(-c3ccccc3)c2o1	2356823685	GNVOHJWIDYHOIP-UHFFFAOYSA-N	225.247	3.509	0	1	BHAF	
CC1=C[C@]2(O)[C@H](C(C)C)CC[C@@H](C)[C@H]2CC1	13381734	IBKURWQMJZETQA-BARDWOONSA-N	222.372	3.776	0	1	BHAF	biogenic
COc1cc(/C=C/c2ccsc2)cc(OC)c1	13553968	KUGWSSNPSKWWFO-ONEGZZNKSA-N	246.331	3.936	0	1	BHAF	
CN[C@@]12CC=CC[C@H]1CC(C)(C)c1ccccc12	29571968	KYQRJGRWEFBIRO-GUYCJALGSA-N	241.378	3.749	0	1	BHAF	
CC(C)=C[C@H](O)C[C@@H](C)c1ccc(C)cc1O	238758632	DAFWWLAEHTUEEF-OLZOCXBDSA-N	234.339	3.521	0	1	BHAF	
CC[C@@H]1CCc2c1nc1cccc3c1c2CC3	587214162	PLHRZBFVTKXDKT-SNVBAGLBSA-N	223.319	3.773	0	1	BHAF	
C=C(C)[C@@H]1CCC(=O)[C@@H]([C@@H](C)CCC(C)=O)C1	13301166	VTZKQIJVPOTFTD-IACUBPJLSA-N	236.355	3.553	0	1	BHAF	biogenic
NC[C@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)cc1	27989998	YBVKBRKRBSXLIO-RLNQVHQUSA-N	249.785	3.819	0	1	BHAF	
CC1=CC[C@H](C(C)C)C[C@@H]2[C@H]1CC[C@]2(C)O	238755863	UQBJCGOOKGDNGP-XQLPTFJDSA-N	222.372	3.776	0	1	BHAF	
Cc1cc(C)c2[nH]c(C(C)(C)Cl)nc2c1	587009171	YDMHVDPSDUVJHO-UHFFFAOYSA-N	222.719	3.654	0	1	BHAF	
Cc1c(-c2ccccn2)nc2cccc3c2c1CC3	587213639	YJPGVNNQLFMKIG-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
CC[C@@H](C)Cc1cc2c3c(cccc3n1)CC2	587214349	SIKPWQVZYKWOIA-LLVKDONJSA-N	225.335	3.922	0	1	BHAF	
CCc1c(-c2ccccn2)[nH]c2cc(F)ccc12	587636860	MOUNGNAKTFZFKY-UHFFFAOYSA-N	240.281	3.931	0	1	BHAF	
CC(C)[C@H]1C=C[C@@](C)(O)CCC=CCC1	2356695442	HLACYKWDKMDHMU-KGLIPLIRSA-N	208.345	3.696	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@H](C)[C@@H]3O[C@H]1C[C@@H]23	2356540789	KNMRUVAHBOGVAL-LOVFCKMRSA-N	220.356	3.648	0	1	BHAF	
CC1=CNC=N[C@H]1c1c(C)sc2ccccc12	205566954	LCQGATUZHPFIOX-CQSZACIVSA-N	242.347	3.786	0	1	BHAF	
CC=C1C(=O)O[C@@H]2CCCC(C)=CCCC=C12	2356462008	BLDMEGILGNNZET-CQSZACIVSA-N	232.323	3.695	0	1	BHAF	
CC1=CC(C)(C)[C@@]23CC[C@H](C)[C@@]12[C@H](O)CC3	14594556	JAELKEBODQWGTA-FDEJFUCISA-N	220.356	3.530	0	1	BHAF	
C/C=C/c1c(CC)c2n3c1CC[C@H]3CC=C2	14611845	FLBBRRZFRKLKMF-ZXCPCRMDSA-N	213.324	3.988	0	1	BHAF	
Fc1ccc(-c2cc[nH]c2-c2ccncc2)cc1	27717036	RRGXAHXPWSPEEU-UHFFFAOYSA-N	238.265	3.883	0	1	BHAF	
Nc1c2c(nc3cc(Cl)ccc13)[C@H]1CC[C@H]2C1	101239469	SSQDPTTWVYJYFB-YUMQZZPRSA-N	244.725	3.835	0	1	BHAF	
CC1=C2[C@H]3[C@@H](CC[C@@H](C)[C@H]2CC1=O)C3(C)C	6031014	ZEEUIOBUKGZKPS-IDTAVKCVSA-N	218.340	3.594	0	1	BHAF	biogenic
CC1=C[C@H]2C[C@@]3(CC[C@H]2C(C)C)O[C@H]3CC1	14689942	ZBBZNJBCTBFTGY-ZQDZILKHSA-N	220.356	3.936	0	1	BHAF	biogenic
Cc1cccc(-c2cc(NCC(C)C)ncn2)c1	82161533	NPQYWQUKNPXLJH-UHFFFAOYSA-N	241.338	3.520	0	1	BHAF	
[C-]#[N+]c1ccc(-c2cccc(C(=O)O)c2)cc1	101243750	IAPVJBDVHFCANK-UHFFFAOYSA-N	223.231	3.603	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1CC(F)(F)F	587633918	OPLKSVSXENZGOX-UHFFFAOYSA-N	231.192	3.720	0	1	BHAF	
Nc1c2c(nc3cccc(Cl)c13)[C@H]1CC[C@@H]2C1	27996302	KDPXEJGRLUVMJN-SFYZADRCSA-N	244.725	3.835	0	1	BHAF	
Oc1cccc2cc(-c3ccncc3)ccc12	66099485	SLFBZDWSFUQAEN-UHFFFAOYSA-N	221.259	3.607	0	1	BHAF	
CC(C)=CCC[C@H](C)[C@@]12CC[C@](C)(O)[C@H]1C2	100823539	IRDFGGRWKUKANK-XGUBFFRZSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CCCCCOc1cccc(OCC)c1	103208882	LSVJWRXFLXJKHS-UHFFFAOYSA-N	208.301	3.654	0	1	BHAF	
C[C@@]12N[C@H](C[C@@H]3CCCC[C@H]31)[C@H]1CCCC[C@H]12	169289878	FHRWBXVLMJUUQU-KPRKPIBOSA-N	233.399	3.733	0	1	BHAF	
C=Cc1ccc(-c2nc3ncc(C)cc3[nH]2)cc1	586880797	HDJGFTCPKAHYKQ-UHFFFAOYSA-N	235.290	3.576	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)C[C@@H](O)[C@@H]2C	2356672599	QJRHDLVPHNGONZ-OSAQELSMSA-N	218.340	3.603	0	1	BHAF	
Nc1ccc(Cl)cc1-n1ccc2ccccc21	40565457	ZDZUBIOKNANPAS-UHFFFAOYSA-N	242.709	3.866	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]3C[C@](C)(CCC3=O)CC[C@H]21	95099166	JLZBTPJKBKNFEG-BLTAXRJOSA-N	220.356	3.818	0	1	BHAF	biogenic,in-vitro
CCc1cc(O)cc(Oc2cc(C)cc(O)c2)c1	2356804954	VBTSULDLXWYFGB-UHFFFAOYSA-N	244.290	3.761	0	1	BHAF	
CC1=CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)C)C=C12	15206782	WTUMCHHLAJTPSA-SNPRPXQTSA-N	220.356	3.696	0	1	BHAF	biogenic
CC(C)=C1C=C2[C@@H](CC[C@H]2C)[C@H](C)CC1=O	15264625	QOVRUHNFLAHBBB-UTUOFQBUSA-N	218.340	3.904	0	1	BHAF	biogenic
FC(F)(F)c1cccc(Oc2cccnc2)c1	27101574	BOUSPQDKXSTBSY-UHFFFAOYSA-N	239.196	3.893	0	1	BHAF	
CC(C)[C@]1(O)CCC2=CCC[C@@H](C)[C@]2(C)C1	38327388	WMZDTEBVGDPDQL-SNPRPXQTSA-N	222.372	3.920	0	1	BHAF	
Clc1cccc(C2=NO[C@H]3CCCC[C@H]23)c1	95573810	NSICCINQXFMPHF-RYUDHWBXSA-N	235.714	3.633	0	1	BHAF	
Cc1ccc2c(c1)O[C@@H](c1cccs1)CC2=O	103175931	QSTGHUPMHMBTQU-CYBMUJFWSA-N	244.315	3.763	0	1	BHAF	
CCCN1CCC[C@@]2(c3ccccc3)CC[C@H]1C2	253690368	DVNGCJDPAPEETC-DLBZAZTESA-N	243.394	3.983	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1N1CCCC[C@H]1C	587636743	HCXKXVQBIJDCBK-SNVBAGLBSA-N	246.329	3.994	0	1	BHAF	
Clc1ccc2c(c1)N=C1CCCCCN1C2	27842707	JHFVYQMIQHRAQS-UHFFFAOYSA-N	234.730	3.760	0	1	BHAF	
Cc1coc2c1C[C@]1(C)[C@@H](C)CC=C[C@@H]1C2=O	238740432	MPBGARPFVGIPSH-JVLSTEMRSA-N	230.307	3.545	0	1	BHAF	
CCCCNc1nc2ccccc2nc1SC	299860109	ZTACFZHMZWFGOZ-UHFFFAOYSA-N	247.367	3.564	0	1	BHAF	
CC[C@H](C)c1ccc2[nH]c(C)c(NC(C)=O)c2c1	587642563	MONDAWBPQRNXPD-VIFPVBQESA-N	244.338	3.948	0	1	BHAF	
CC(C)[C@H]1CCc2coc3cc(C(=O)O)cc1c23	1857558549	FHHBRHPDGKEYIF-LLVKDONJSA-N	244.290	3.817	0	1	BHAF	
C[C@@H]1CC(=O)CC2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C	2356552392	NYVDTZCCCWPPPG-JWFUOXDNSA-N	218.340	3.594	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC1)C(C(=O)O)=CC[C@@H]2C(C)C	13381219	WMNZIVZTRJKKHL-DYEKYZERSA-N	234.339	3.646	0	1	BHAF	biogenic
C=C1CCC[C@H](C=O)CC[C@H]2[C@@H]1CC2(C)C	14920608	QRSRVOUYGXKOHE-MJBXVCDLSA-N	220.356	3.984	0	1	BHAF	biogenic
CC(C)=CCC[C@H](C)[C@@]12CC[C@](C)(O)[C@@H]1C2	33950774	IRDFGGRWKUKANK-AJNGGQMLSA-N	222.372	3.920	0	1	BHAF	
C[C@@H](C(=O)O)c1ccc(-c2ccccc2)cc1F	34428984	ICKWGFYFODTQTL-SNVBAGLBSA-N	244.265	3.681	0	1	BHAF	
Cc1cc2ccccc2c[n+]1C1CCCCC1	72136761	QYONYWKFBHJVSH-UHFFFAOYSA-N	226.343	3.941	0	1	BHAF	
C[C@H]1C=C[C@H]2C[C@H](C)CC[C@@H]2/C1=C/CC(=O)O	84724054	ORLOYGDCENCRMS-ZJBJDMGRSA-N	234.339	3.646	0	1	BHAF	
CC(=O)O[C@@H](CC=C(C)Cl)C(C)=CCl	2356397943	KMOWUHVWKJIQSZ-JTQLQIEISA-N	237.126	3.593	0	1	BHAF	
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@]2(O)C(C)C	14918738	MUROKQYXIPVTGD-QPSCCSFWSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
Cc1cc(C)c2c(-c3ccccc3)cc(=O)[nH]c2c1	17250465	OHNWLNQFOCBDFP-UHFFFAOYSA-N	249.313	3.812	0	1	BHAF	
Oc1ccc(C=CC=Cc2ccc(O)cc2)cc1	2356587540	OOBJYHILDOBHJF-UHFFFAOYSA-N	238.286	3.824	0	1	BHAF	
CC1=C2C[C@@H](C=CC(=O)O)CC[C@@]2(C)CCC1	2356670801	CFUISBDJXHZKJK-SWLSCSKDSA-N	234.339	3.934	0	1	BHAF	
Cn1c2c(c3cc(O)ccc31)CCCCCC2	13652169	QCPWUOGDMGEFEI-UHFFFAOYSA-N	229.323	3.543	0	1	BHAF	
Nc1c2c(nc3c(Cl)cccc13)[C@H]1CC[C@@H]2C1	27979765	NNGFBICBXZNRCM-SFYZADRCSA-N	244.725	3.835	0	1	BHAF	
O=N/C=C1/C=CC=CN1CCCc1ccccc1	208952866	JLDPUANBWZZEPY-SQFISAMPSA-N	240.306	3.613	0	1	BHAF	
Cc1cc(C)c2[nH]c(C=C3CCC3)nc2c1	587964921	JNWFHXVMKCUXJE-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
CCC[C@H]1CCC2(CC[C@@H](CCC)O2)O1	15122095	LPKNCNDPYXUXOL-FUNVUKJBSA-N	212.333	3.641	0	1	BHAF	
C[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)[N@]32	1857621871	CJSJQKUMMPPBMD-OWSLCNJRSA-N	233.314	3.570	0	1	BHAF	
Cc1ccc2ncc(-c3ccccc3)nc2c1	13756092	XTEPSHPZFXYBOW-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	biogenic
CCN(C)C[C@@H]1C[C@@H]1c1ccc2ccccc2c1	28960464	RSKCEJCNFPNSGQ-DLBZAZTESA-N	239.362	3.895	0	1	BHAF	
Cc1cccc(-c2c(C)[nH]c3cc(F)ccc23)n1	587636779	IJGKKFHCKYCBCC-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
Cc1ccc(-c2ccc(O)c3ncccc23)cc1	1857630575	NFKLJDXRNOXGLL-UHFFFAOYSA-N	235.286	3.916	0	1	BHAF	
CCCN1CCC[C@H](c2ccc(C)cc2)C1	13492911	YKJIISOOHAYDGR-HNNXBMFYSA-N	217.356	3.584	0	1	BHAF	
CS[C@@H]1C[C@@H]2[C@H](C[C@]1(C)SC)C2(C)C	33950055	GHHXTHWFXOUDSH-KLBPJQLPSA-N	230.442	3.906	0	1	BHAF	
CCCC[C@@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C	263607880	SMRFYWWGKRCKHO-KZVDOYCCSA-N	210.361	3.610	0	1	BHAF	
CC1=CC[C@@H](C(C)C)[C@@H]2C=C(C)[C@H](O)C[C@H]12	2356510413	XYCKDFDUKUYASB-LJISPDSOSA-N	220.356	3.552	0	1	BHAF	
CC[C]1C=CN(Cc2cccc(C)c2)C=C1	2356845711	CMXNFYDUPOJPKQ-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
Clc1cccc2c1N=C1CCCCCN1C2	49756714	IPSRZRXARJYFKS-UHFFFAOYSA-N	234.730	3.760	0	1	BHAF	
C/C=C(/C)c1cc2c3c(cccc3n1)CC2	587214398	UDKYHHNYLNQEQD-KMKOMSMNSA-N	209.292	3.757	0	1	BHAF	
CCCCCC=CC=CC(=O)N[C@H](C)CC	2356340502	QMIWSRNEYNUYFE-CYBMUJFWSA-N	223.360	3.594	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@@H]2C[C@H]1O	2356600209	DMKWBQROHUFGFK-BSLXNSKLSA-N	220.356	3.696	0	1	BHAF	
CC1=C2C=C(C(C)C)CC[C@@](C)(O)[C@@H]2CC1	15264381	NIUNALSTZWFRAY-HUUCEWRRSA-N	220.356	3.840	0	1	BHAF	biogenic
CCCN(CCC)[C@H]1C[C@H]1c1cccc(OC)c1	28108613	CDBKSCIFVPNNTJ-HOTGVXAUSA-N	247.382	3.673	0	1	BHAF	
CC1(C)CCC[C@]2(C)CC[C@](C)(O)[C@H]3C[C@@]312	33950763	YTLMZAPWDFQBAI-REBRKWNGSA-N	222.372	3.754	0	1	BHAF	
CC1(C)[C@H]2Cc3c(nc4ccccc4c3N)[C@@H]1C2	45256480	GTSFQBURACAVFO-CABZTGNLSA-N	238.334	3.503	0	1	BHAF	
COc1ccc2cc(CCC(C)(C)O)ccc2c1	169333132	CRWSFHXLRDSFBB-UHFFFAOYSA-N	244.334	3.552	0	1	BHAF	
Oc1ccc(-c2cc(-c3ccccc3)no2)cc1	169342534	RZFQSOTXZMNZCM-UHFFFAOYSA-N	237.258	3.714	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cccc(F)c2[nH]1	586887165	FGIFJJIWMLNSCF-ISVAXAHUSA-N	218.275	3.606	0	1	BHAF	
FC(F)c1cc(/C=C/c2cccs2)no1	12374947	BZHUTGQHKYYMAK-ONEGZZNKSA-N	227.235	3.844	0	1	BHAF	
Cc1ccc2c(c1)/C(=C\c1cccnc1)CC2	13610807	INXZXCKRUCKCJE-GDNBJRDFSA-N	221.303	3.877	0	1	BHAF	in-vivo
CC(C)[C@H]1CCc2coc3c2[C@H]1C[C@@H](C)C3=O	14439211	OXGBVJBYGGQURY-JLLWLGSASA-N	232.323	3.804	0	1	BHAF	biogenic
CC(C)CCCCOC(=O)CCC(C)C	238765707	IHQKXFUNTGWIOL-UHFFFAOYSA-N	214.349	3.792	0	1	BHAF	
CC(C)N[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	27704267	OJYLNXVPGPJQFN-LXZKKBNFSA-N	241.378	3.867	0	1	BHAF	
COc1c(-c2ccccn2)sc2ccccc12	28816752	PDZAKWLSAMKGOR-UHFFFAOYSA-N	241.315	3.972	0	1	BHAF	
C[C@H]1CCC=C2CC[C@@H](C(C)(C)O)[C@@H](C)[C@H]21	33832210	YEDSHUOBTRDKLW-OIMNJJJWSA-N	222.372	3.776	0	1	BHAF	biogenic,in-vitro
C[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1	35090366	BMRJUXFHOOHDBF-MFKMUULPSA-N	223.747	3.586	0	1	BHAF	in-vivo
Cc1sc2c(F)cccc2c1[C@H]1C=CN=CN1	653882838	GJXDCUXPISVVBR-LLVKDONJSA-N	246.310	3.535	0	1	BHAF	
CC[C@H](C)CCCCCC1=C[C@H](C)OC1=O	14592391	DIGSICVZYKFCTI-RYUDHWBXSA-N	224.344	3.855	0	1	BHAF	biogenic
CCCc1c(CC)c2n3c1CC[C@@H]3CC=C2	14611850	AZUQOWDYEGHNQU-NSHDSACASA-N	215.340	3.907	0	1	BHAF	biogenic
CCCCCC[C@@H]1CN(c2ccccc2)C(=O)O1	49069092	VSVXANNIGPUQAD-CQSZACIVSA-N	247.338	3.982	0	1	BHAF	
C=Cc1ccc(-c2nc3cc(O)ccc3[nH]2)cc1	586882040	RQFNWJCDZNNONR-UHFFFAOYSA-N	236.274	3.579	0	1	BHAF	
CC(C)[C@@H]1CCC[C@](C)(O)[C@@H]2C=C[C@H](C)[C@@H]12	2356773724	HFWPFTKIWIPREI-RMEBNNNOSA-N	222.372	3.632	0	1	BHAF	
Cc1ccc([C@@H](C)CCC[C@@H](C)CO)c(O)c1	6522330	IZVGIPLOOWCAET-OLZOCXBDSA-N	236.355	3.603	0	1	BHAF	
C=CCCC[C@H](C)[C@H]1CCC(C)=CC1=O	14592374	CMFRIKLCLXGUBM-QWHCGFSZSA-N	206.329	3.904	0	1	BHAF	biogenic
Cc1c2c(c(C)c3c1[nH]c1ccccc13)C=NCC2	15150762	CKERKSAMDZOBHU-UHFFFAOYSA-N	248.329	3.913	0	1	BHAF	biogenic,in-vitro
c1ccc2c(c1)CCCC[C@@]21NCc2ccccc21	27649466	DENICEPKSXBBTJ-GOSISDBHSA-N	249.357	3.760	0	1	BHAF	
C[C@H]1CC[C@]2(C)C(CO)=C[C@@]3(C)CCC[C@@]123	85944161	MSGABRNJYJTPOS-MYPMTAMASA-N	220.356	3.532	0	1	BHAF	
CCC1(CC)C2C[C@@H]3C[C@H](C2)CC1(NC)C3	95557948	YGDGWJWCWSQRCX-DOOHLRMFSA-N	221.388	3.591	0	1	BHAF	
CCCC=C[C@]1(CC)C[C@H](CC)[C@](C)(O)O1	2356694295	YUFOLFJAYLDZGK-BFHYXJOUSA-N	226.360	3.647	0	1	BHAF	
Cc1ccnc2c1CCC/C2=C\c1ccncc1	13602675	XPVRACRNFCDHKF-SDNWHVSQSA-N	236.318	3.662	0	1	BHAF	
CC(C)[C@]1(O)CCC2=CCC[C@@H](C)[C@@]2(C)C1	15201052	WMZDTEBVGDPDQL-YUELXQCFSA-N	222.372	3.920	0	1	BHAF	biogenic
C/C(N=O)=C1\C=CC=CN1Cc1ccccc1	33913496	UPOPXHUSXNMFSM-OWBHPGMISA-N	226.279	3.570	0	1	BHAF	
C[C@@]12CCC[C@@]34CCC[C@H](C=C[C@H]1CC3)N42	238756387	YXWOUJYNFPKTLH-YJNKXOJESA-N	217.356	3.502	0	1	BHAF	
CC[C@H](C)C(=O)OCC1=CCC(C)(C)C[C@@H]1C	2356784852	QKMIUXCKXORDBW-RYUDHWBXSA-N	238.371	3.958	0	1	BHAF	
C[C@@H]1CCCC2=CC[C@@H](C(C)(C)O)C[C@]21C	6030837	KEBVXBNFLKYWDP-KYOSRNDESA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
Fc1ccc2oc(C3=CN4CCC3CC4)cc2c1	13757458	OFBOKKRZVJJZHR-UHFFFAOYSA-N	243.281	3.638	0	1	BHAF	
CCCCC/C=C/[C@@H](C)CCOC(C)=O	95618266	NSCSPGLXFSPKCQ-IDVQTMNDSA-N	212.333	3.712	0	1	BHAF	endogenous,in-man
CC1=C(C)[C@H]2C(C)(C)[C@H](CO)C[C@@]2(C)CC1	2356659614	LFLBXCLVRYZDOG-KCQAQPDRSA-N	222.372	3.778	0	1	BHAF	
CC1(C)[C@H]2[C@H](O)[C@@]3(C)CCC[C@@]3(C)CC[C@H]21	2356787913	BTBQMFYSHNODBW-RKEKIRQTSA-N	222.372	3.610	0	1	BHAF	
COc1ccc(C/C=C/c2ccccc2)c(O)c1	5916348	OKGTYHHWYQJWHU-VMPITWQZSA-N	240.302	3.657	0	1	BHAF	
CC1=C2CCC(CO)=C[C@H]2[C@@H](C(C)C)CC1	13381149	PSCGCYQLAZATGE-HIFRSBDPSA-N	220.356	3.698	0	1	BHAF	biogenic
CCCCOc1ccc(-c2cccnc2)cc1	13530170	ATLLIISCQQKAQI-UHFFFAOYSA-N	227.307	3.928	0	1	BHAF	
CN(C)C[C@@H]1C[C@@H]1c1cccc2ccccc12	28960233	AEWPIBYOYSOWAL-BBRMVZONSA-N	225.335	3.505	0	1	BHAF	
CC1=C[C@@H](O)C[C@@H](C)[C@]12CCC(=C(C)C)C2	95619729	XCEXBRKEGXBUJE-YUELXQCFSA-N	220.356	3.840	0	1	BHAF	endogenous,in-man
Clc1ccccc1C1=NOCc2ccccc21	103187206	SCQPSXNBQDFPEL-UHFFFAOYSA-N	243.693	3.623	0	1	BHAF	
CCCC[C@@H]1CCC[C@]2(CCCCO2)O1	238732246	NBWSJPXGVRZJTC-OLZOCXBDSA-N	212.333	3.643	0	1	BHAF	
Fc1cc2[nH]c(C3=CCCC3)nc2cc1Cl	586882981	DSVZASXNZPYNHB-UHFFFAOYSA-N	236.677	3.923	0	1	BHAF	
Cc1ccc2c3c(ccnc13)-c1ccccc1C2=O	587101315	SADCLBWCXPVWKG-UHFFFAOYSA-N	245.281	3.755	0	1	BHAF	
CCCC/C=C\c1nc2ccnc(Cl)c2[nH]1	587965362	KOVQJBFAMIKESQ-WAYWQWQTSA-N	235.718	3.815	0	1	BHAF	
CC=C(C)c1ccc(C[C@H](C)CC)c(=O)o1	2356801413	QPEYMRNCORLOQY-SNVBAGLBSA-N	220.312	3.652	0	1	BHAF	
Clc1cccc(Nc2noc3cccnc23)c1	118383557	RMHPCHYFYYECLH-UHFFFAOYSA-N	245.669	3.620	0	3	BHAF	
Cc1ccc([C@H](C)C/C=C/C(C)(C)O)cc1O	13377441	DZGXYWVBUAZNOS-FZPLPXEFSA-N	234.339	3.521	0	1	BHAF	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@](C)(O)C=C12	13381755	IHEUASSNMSDWFX-ABHRYQDASA-N	222.372	3.776	0	1	BHAF	biogenic
C1=C[C@@]2(CCCCO2)O/C1=C\c1cccs1	14766086	RXMTVKWPXJEZLL-BSYHEUMXSA-N	234.320	3.572	0	1	BHAF	
CC1=C2C=C(C(C)(C)O)CC[C@@H](C)[C@@H]2CC1	15264383	CIUNGYCNQVTWPX-MFKMUULPSA-N	220.356	3.840	0	1	BHAF	biogenic,in-vitro
CC[C@]1(C)C[C@@H]1c1nc2cc(F)cc(F)c2[nH]1	586887787	HZKRDWOLWRFLQX-AMIZOPFISA-N	236.265	3.745	0	1	BHAF	
CC[C@@H](C)c1nc2ccc3ncccc3c2[nH]1	587957054	YVKKNHJHUQVAOY-SECBINFHSA-N	225.295	3.625	0	1	BHAF	
CC(=O)CC[C@H](C=C[C@@]1(C)CCCO1)C(C)C	2356686464	GPNLVCAPXPSJQB-HUUCEWRRSA-N	238.371	3.753	0	1	BHAF	
Oc1cccc(-c2cc(=S)ss2)c1	1864976	MITFPFXXJMTHIE-UHFFFAOYSA-N	226.347	3.912	0	1	BHAF	
C[C@@H]1c2ccoc2[C@@H](O)[C@@]2(C)[C@H](C)CC[C@@]12C	95911548	MDKGOSUFACVFIC-HGUIZCDCSA-N	234.339	3.873	0	1	BHAF	biogenic,in-vitro
Cc1[nH]c2cc(F)ccc2c1N1CCC[C@@H](C)C1	587636785	IOGAMJOTJDSXJL-SNVBAGLBSA-N	246.329	3.852	0	1	BHAF	
CCC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12	26015870	FYZYJIPHMYDLKT-ZWKOTPCHSA-N	249.357	3.931	0	1	BHAF	
CN(C)[C@@]12CCCC[C@@H]1CCc1ccccc12	26153361	CRRGPBAEOBRTMN-ZBFHGGJFSA-N	229.367	3.580	0	1	BHAF	
CCCC[C@H](CCn1cncn1)c1ccccc1	103223138	VHXVJECKQORHQR-OAHLLOKOSA-N	243.354	3.642	0	1	BHAF	
C1=C(/C=C/c2ccccn2)COc2ccccc21	103232384	IGWPOLBQCRZXMA-CMDGGOBGSA-N	235.286	3.571	0	1	BHAF	
CSCC(C)(C)c1nc2ccc(C)cc2[nH]1	586968634	GQGLRNJUJFVFIE-UHFFFAOYSA-N	234.368	3.512	0	1	BHAF	
Cc1cc2c(cc1O)[C@@]1(C)CCC[C@H](C)[C@@H]2O1	1857614994	FSVHZDHHQHSVMJ-ULKVUYOBSA-N	232.323	3.807	0	1	BHAF	
CSc1ccc2c(c1)ncn2-c1ccccc1	3815798	ZAFMFDKGUGVXFS-UHFFFAOYSA-N	240.331	3.747	0	1	BHAF	
Cc1ccc([C@H](C)CCCC(C)(C)O)c(O)c1	6486908	TYUONEYWBLIYDF-GFCCVEGCSA-N	236.355	3.745	0	1	BHAF	biogenic
CC1(C)CCC[C@]2(C)[C@H]3COCC3=CC[C@H]12	27550636	ZILKDRJIKKCCSJ-GZBFAFLISA-N	220.356	3.796	0	1	BHAF	
CC(C)C1=C[C@H]2[C@](C)(O)CCC[C@]2(C)CC1	85758579	PBGYWCDUYHJYFV-RBSFLKMASA-N	222.372	3.920	0	1	BHAF	
CCCN1CCC[C@H]([C@H]2CCCC[C@H]2C)C1	261189957	YTVFAAGYKMNQLX-ILXRZTDVSA-N	223.404	3.935	0	1	BHAF	
O=C(CN1[CH]C=Cc2ccccc21)c1ccccc1	2356847360	VWXAKOLFTIZHIK-UHFFFAOYSA-N	248.305	3.564	0	1	BHAF	
C[C@H]1CC[C@@]2(O)C(C)(C)[C@@H]3CC[C@]2(C)[C@H]1C3	100897380	GGHMUJBZYLPWFD-SZWZKDINSA-N	222.372	3.610	0	1	BHAF	in-vitro
c1cc2c3c(cc(CCC4CC4)nc3c1)CC2	587214819	ZMGKKBMWFCYNSA-UHFFFAOYSA-N	223.319	3.676	0	1	BHAF	
Nc1ccc2oc(-c3nc4ccccc4[nH]3)cc2c1	587252804	NMDIJCGOVLRGIW-UHFFFAOYSA-N	249.273	3.558	0	1	BHAF	
CC(CO)=C1CCC2=CCC[C@H](C)[C@]2(C)C1	2356479830	FXWSXJNUPFBCMQ-WFASDCNBSA-N	220.356	3.842	0	1	BHAF	
CC(C)=C1C=C2[C@H](C)CCC[C@]2(C)C[C@H]1O	15207179	YJLHMADINKHPSO-KCPJHIHWSA-N	220.356	3.840	0	1	BHAF	biogenic
C=C/C=C/C=C/CCCCCCOC(C)=O	59725081	MJZHEIHTZZJYOP-YTXTXJHMSA-N	222.328	3.798	0	1	BHAF	
C[C@H]1CC[C@H]2[C@@H]3[C@]1(O)CC[C@]3(C)CC2(C)C	85807990	ABEFZRUFMKMACI-JVSQWTDWSA-N	222.372	3.610	0	1	BHAF	
CC1=C2[C@H](/C=C(/C)CO)CC[C@H](C)[C@H]2CC1	142645489	KIQXKOUFPHTUQS-PXVXHOJGSA-N	220.356	3.698	0	1	BHAF	
C=Cc1ccc(-c2nc3cc(C)nc(C)c3[nH]2)cc1	586881008	JURWBOFSNNOJCL-UHFFFAOYSA-N	249.317	3.885	0	1	BHAF	
C[C@@H]1CCCc2c1nc1cccc3c1c2CC3	587215183	ITCWVLUQZBQMBN-SNVBAGLBSA-N	223.319	3.773	0	1	BHAF	
CC1=CCC(C)(C)CC2=C(C[C@@H]1O)C[C@H]2C	2356689976	HKOYGJNJKYCWBP-RISCZKNCSA-N	220.356	3.840	0	1	BHAF	
O=C(c1ccc2cccccc1-2)C(F)(F)F	3162437	KFOVGJDAKMISLF-UHFFFAOYSA-N	224.181	3.536	0	1	BHAF	biogenic
CC1=CCC[C@@]2(C)CC[C@@H](C(C)C)C(=O)[C@@H]12	15209388	OUIUORSUNABXEN-GUTXKFCHSA-N	220.356	3.984	0	1	BHAF	endogenous,in-man
CC1(C)CCC[C@]2(C)[C@H]3CCOC(=O)C3=CC[C@H]12	85975574	NSOSZHUQSHPOOM-WOSRLPQWSA-N	248.366	3.712	0	1	BHAF	
COc1cc(O)ccc1CC=Cc1ccccc1	2356658634	ZAGLUIIUOWEVEN-UHFFFAOYSA-N	240.302	3.657	0	1	BHAF	
CCCN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2	27653491	ZFMWPFRYIWXMAF-KMFMINBZSA-N	241.378	3.868	0	1	BHAF	
CC1=CC[C@]2(C[C@H]1O)[C@@H](C)CC[C@H]2C(C)C	38524545	WBVRKDUUNZBZET-XQLPTFJDSA-N	222.372	3.776	0	1	BHAF	
CCCC[C@]1(c2ccc3[nH]ccc3c2)CCNC1	40873973	FIIZGBLPZZYXCS-INIZCTEOSA-N	242.366	3.589	0	1	BHAF	investigational
CN1[C@H]2Cc3ccccc3[C@@]1(C)[C@H]1CCCC[C@H]21	100659767	LGEKADIHPOTMRU-HJWJTTGWSA-N	241.378	3.578	0	1	BHAF	
C[C@H]1CCC/C=C/CC/C=C/C=C/C(=O)O1	199862546	SWGHGMVUPRMHSQ-HIGNJNIISA-N	220.312	3.551	0	1	BHAF	
c1ccc(Cc2cnc3cccc4c3c2CC4)cc1	587214114	OTEBCCVMXVKKMS-UHFFFAOYSA-N	245.325	3.924	0	1	BHAF	
CC1(C)CCC(Cc2nc3cccnc3[nH]2)CC1	587961163	PSQJAQOPHULXLN-UHFFFAOYSA-N	243.354	3.717	0	1	BHAF	
C[C@H]1CCC(Nc2cc3c(cc2Cl)CCC3)=N1	142950453	VOAFBUVULMFGTC-VIFPVBQESA-N	248.757	3.821	0	1	BHAF	
Cc1cc2nc(C3CCC3)[nH]c2cc1Cl	586883919	IOKZDHHPMWHWMN-UHFFFAOYSA-N	220.703	3.792	0	1	BHAF	
C[C@@]12C[C@H]1CCc1c2nc2cccc3c2c1CC3	587215994	XSTLOCBCTKDJKN-PIGZYNQJSA-N	235.330	3.557	0	1	BHAF	
C=Cc1c(OC)cc2c(c1OC)C=CC(C)(C)O2	13485155	SJVHIOOUDOGGBU-UHFFFAOYSA-N	246.306	3.531	0	1	BHAF	biogenic,in-vitro
CCCN1CCC[C@@H]([C@@H]2CCCC[C@@H]2C)C1	13492914	YTVFAAGYKMNQLX-RRFJBIMHSA-N	223.404	3.935	0	1	BHAF	
CC1(C)CCC[C@@]2(C)CC[C@@](C)(O)[C@@H]3C[C@]312	14766737	YTLMZAPWDFQBAI-MHEUCROKSA-N	222.372	3.754	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO	238748222	NTVBQYIYTYHSRG-QVHKTLOISA-N	224.388	3.857	0	1	BHAF	
CC[C@@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1	587954662	AIBJDZBUCXZBMG-SECBINFHSA-N	231.343	3.769	0	1	BHAF	
CCCCCC[C@@H](C)C[C@@H](C)C=CC(N)=O	2356809760	ASWIDATXPVRDFO-OLZOCXBDSA-N	225.376	3.661	0	1	BHAF	
CC[C@@H](Cc1ccc(SC)cc1)NC(C)C	49112335	JPJSEWJNHDIYAS-ZDUSSCGKSA-N	237.412	3.728	0	1	BHAF	in-vivo
CC[C@@]1(C)C[C@H]1c1nc2cc(C)cc(F)c2[nH]1	586886957	DUQSQNAJVDIDJV-XPTSAGLGSA-N	232.302	3.914	0	1	BHAF	
CC1=CC2=C(C(C)C)CC[C@H](C)[C@H]2[C@@H](O)C1	2356460494	XCXXQNHVVCTZPI-TUKIKUTGSA-N	220.356	3.696	0	1	BHAF	
CC(C)C1=CC[C@]2(C)CCC[C@@](C)(NC=O)[C@H]2C1	2356745237	MZUROKYUYZHWMA-HRCADAONSA-N	249.398	3.674	0	1	BHAF	
CCN1CCC[C@@H]1C12CC3CC(CC(C3)C1)C2	26995433	ZOZSPXRFPOGNPG-IBHBGHMQSA-N	233.399	3.687	0	1	BHAF	
C(=C/c1c[nH]c2ccccc12)\c1cccnc1	27993238	XEGNKAULPJNZHP-BQYQJAHWSA-N	220.275	3.733	0	1	BHAF	
CC1=C2CC[C@H](C)[C@H]2C[C@H](C(C)(C)O)CC1	38588222	LGOFSGDSFQNIAT-OUCADQQQSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
Clc1ccc2c(c1)ncn2C1CCCC1	40847727	MALJBBGZYFOXJG-UHFFFAOYSA-N	220.703	3.805	0	1	BHAF	
CC(=O)CC[C@@H]1[C@@H](C2=CCC=C2C)C1(C)C	14721248	NYGIBOIEPYXYQN-ZIAGYGMSSA-N	218.340	3.904	0	1	BHAF	biogenic
CCCCC12C[C@@H]3C[C@H](C1)CC(NC)(C3)C2	33817725	PTJZYMGQONNYKV-DGKWVBSXSA-N	221.388	3.735	0	1	BHAF	
Cc1ccc(-c2ccc3ccc(=O)oc3c2)cc1	66105091	AVUAOJAKVVOMPT-UHFFFAOYSA-N	236.270	3.768	0	1	BHAF	
CC1=C2C/C=C(/C)CC/C=C(\C)C[C@@H]2OC1=O	169368729	SLGKCOCDZZQQLY-NOXSYJIMSA-N	232.323	3.695	0	1	BHAF	
Cc1ccc([C@@H](C)C[C@H](O)CC(C)C)cc1	2356393355	HVJMKUFWPYHXCM-DZGCQCFKSA-N	220.356	3.896	0	1	BHAF	
CC1(C)CC=C[C@]23C=Cc4ccoc4[C@@H]2[C@H]13	2356674492	KINLNJHMSZLRAC-KYOSRNDESA-N	212.292	3.992	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]1CCC1=CCC[C@@]2(O)CC1	2356727956	UUFHSKASMKIFRT-KCQAQPDRSA-N	220.356	3.674	0	1	BHAF	
CC(C)C(=O)OCC1=CCC(C)(C)C[C@@H]1C	14822372	QTBRAZDTZAOKEV-NSHDSACASA-N	224.344	3.568	0	1	BHAF	biogenic
C[C@@H]1CC[C@]2(O)[C@@H]1CC(C)(C)C[C@@H]1C[C@@]12C	2356422584	DWXUKGQAPQEPTH-FPVZYODXSA-N	222.372	3.610	0	1	BHAF	
CCCC=CCCCCCCOC(C)=O	2356457061	BRPOZIBCZYYKOQ-UHFFFAOYSA-N	212.333	3.856	0	1	BHAF	
CC(C)=C[C@@H]1C[C@H](C)c2cc(O)c(C)cc2O1	2356466585	LWGKZBSDGZFFFY-CMPLNLGQSA-N	232.323	3.921	0	1	BHAF	
CC(C)[C@@H](C=C[C@@]1(C)CCCO1)CC[C@H](C)O	2356471758	YOMJFGRYEWDLQO-RRFJBIMHSA-N	240.387	3.545	0	1	BHAF	
CC1=C[C@H]2C[C@H](CC[C@H]2C(C)C)C(=O)CC1	32298806	MGLWWZNRAQRXLJ-IHRRRGAJSA-N	220.356	3.984	0	1	BHAF	
CC1=COC=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	34602213	MHBHVBZBPFDCSL-NFAWXSAZSA-N	236.355	3.628	0	1	BHAF	
CC1=CCCC2=C[C@@H](OC2=O)[C@@H](C(C)C)CC1	263638980	YITCHUNKOAYVSD-ZIAGYGMSSA-N	234.339	3.631	0	1	BHAF	
CCCC(=O)O[C@H](C)[C@H](C)[C@H](C)CCC	2356442585	IYALVKCBXNBPSJ-IJLUTSLNSA-N	214.349	3.791	0	1	BHAF	
Cc1ccc2[nH]c3c(c2c1)C(C)(C)NC(C)(C)C3	226103	HTQJCMOCDKUUMG-UHFFFAOYSA-N	242.366	3.636	0	1	BHAF	
CO[C@]1(C)C[C@H]2C(=CC1=O)C(C)=CC[C@@H]2C(C)C	14445016	WNVGXIGDSODCRK-XNRPHZJLSA-N	248.366	3.529	0	1	BHAF	biogenic
Fc1cccc(F)c1[C@H]1CC[C@H]2CCCCN21	26729056	QGJOTNTVUVNRQN-ZWNOBZJWSA-N	237.293	3.654	0	1	BHAF	
COc1ccc(CC2=CC[C@@H](C)CC2)cc1	26844736	ANCZDJPRPQIWHV-GFCCVEGCSA-N	216.324	3.984	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC[C@]3(C)O	36385318	SVURIXNDRWRAFU-RKEKIRQTSA-N	222.372	3.610	0	1	BHAF	
CCCCNc1ccnc2[nH]c3ccccc3c12	40952512	PKSQERPOGFWGEL-UHFFFAOYSA-N	239.322	3.928	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@](C)(O)[C@H]1CC[C@@]12C	85991103	CPLGPDHGFNXBOA-GGUBGCTKSA-N	222.372	3.610	0	1	BHAF	in-man
Cn1c(-c2ncc(C3CC3)[nH]2)cc2sccc21	1911578987	DBGOILPCEQRSCM-UHFFFAOYSA-N	243.335	3.507	0	1	BHAF	
CC1=C[C@H]2C[C@@H](CC[C@H]2C(C)C)C(=O)CC1	14689937	MGLWWZNRAQRXLJ-RDBSUJKOSA-N	220.356	3.984	0	1	BHAF	biogenic
CC1(C)C=CC[C@@]2(C)C[C@H](CO)C(C)(C)[C@H]12	206612447	FZXLNBSTYCEHDA-XUJVJEKNSA-N	222.372	3.633	0	1	BHAF	
Cc1cc(F)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1	587967293	MXJUPZRBLKKVLP-HBNTYKKESA-N	242.297	3.690	0	1	BHAF	
CC(C)c1ccc([C@@H]2NN=C3CCC[C@@H]32)cc1	1857571032	YJVCDFQEAWAOCJ-ZFWWWQNUSA-N	228.339	3.610	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@](O)(C(C)C)[C@@H]2CC1	13432655	HTJLBKLQZZOCAC-KFWWJZLASA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CC1=CCC=C1[C@H]1[C@H]2CC[C@]1(C)OC2(C)C	38878659	DQXNTIGIDAIKGR-IPYPFGDCSA-N	218.340	3.857	0	1	BHAF	biogenic,in-vitro
CN(C)[C@H]1CC[C@H](c2c[nH]c3cccc(F)c23)C1	64393093	XOEYYOYWTDHCHM-QWRGUYRKSA-N	246.329	3.505	0	1	BHAF	
COC1=CCC=C(/C=C/c2ccc(OC)cc2)O1	238758382	IIQCDGLGMWLKBS-DHZHZOJOSA-N	244.290	3.500	0	1	BHAF	
C=Cc1ccc(-c2nc3c(O)cccc3[nH]2)cc1	586882225	WMOOKGMMRFKOLN-UHFFFAOYSA-N	236.274	3.579	0	1	BHAF	
CC(C)(C)CCCCOCCCc1c[nH]cn1	13491002	QOSSHUXFHGORCD-UHFFFAOYSA-N	238.375	3.575	0	1	BHAF	
O=C1CCCc2cc(-c3ccc(O)cc3)ccc21	29123366	NBXFNIUSTYUSRR-UHFFFAOYSA-N	238.286	3.578	0	1	BHAF	
Cc1ccc([C@@H]2CC=CC(=O)O2)c2ccccc12	72124595	PCEBRNJCKGIJLD-HNNXBMFYSA-N	238.286	3.692	0	1	BHAF	
CC1(C)[C@H]2[C@H]1CC[C@@]1(C)CCC[C@](C)(O)[C@H]21	257396087	CJRKEDMYNFITCQ-OGMFBOKVSA-N	222.372	3.610	0	1	BHAF	
CC1=CC[C@@]2(CC1)C(C(C)C)=CC[C@@H]2CO	653796609	KJTBZKJQCOKDKN-HIFRSBDPSA-N	220.356	3.698	0	1	BHAF	
Cc1ccc2c(c1)CC[C@](C)(O)CC[C@]1(C)C[C@H]21	13375846	YMVTUORVSXOVHO-ZACQAIPSSA-N	244.378	3.966	0	1	BHAF	biogenic
C[C@@H]1CCC2=C(C(C)(C)O)CC(C)(C)C[C@@H]21	13379051	AXUFTLZFRGHJAV-ZYHUDNBSSA-N	222.372	3.920	0	1	BHAF	biogenic
Cc1sc2cccc(F)c2c1[C@@H]1C=CNC=N1	205565700	QWLBSWWDLXBEKT-JTQLQIEISA-N	246.310	3.535	0	1	BHAF	
CC1=C[C@H](O)C[C@@H](C)[C@@]12CCC(=C(C)C)C2	2356285570	XCEXBRKEGXBUJE-VHDGCEQUSA-N	220.356	3.840	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@H](O)C(C)(C)[C@]23C[C@H]13	2356379378	RKYRGTWYGYBPFJ-AYRXBEOTSA-N	220.356	3.530	0	1	BHAF	
CC1(C)CC[C@](C)([C@]23CC[C@](C)(O)[C@H]2C3)C1	2356402481	ICNMPYNAXDDQCA-UNQGMJICSA-N	222.372	3.754	0	1	BHAF	
CC1=CCC[C@@H]2CC[C@H](C(C)(C)O)C[C@H]12	2356485492	IPZIYGAXCZTOMH-FRRDWIJNSA-N	208.345	3.530	0	1	BHAF	
FC1=C2CCCCC[C@H]2SC1(F)F	5189893	ZYWBGTOSOLVSIJ-SSDOTTSWSA-N	208.248	3.882	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@@H]1c1ccccc1OC	13755512	NHIZHIQMHLZUQZ-CABCVRRESA-N	247.382	3.673	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@]3(C)CC[C@]12C[C@H]3O	34490798	CSTOJISGDOIIDQ-PRSHDEELSA-N	222.372	3.610	0	1	BHAF	
C/C(=C/CCC(C)C)c1ccc(CO)cc1O	144221905	NWPUHDAIOGMKFI-SDQBBNPISA-N	234.339	3.724	0	1	BHAF	
C[C@@H]1CC[C@]2(O)[C@@H]1CC(C)(C)C[C@@H]1C[C@]12C	238786979	DWXUKGQAPQEPTH-FWZIUSJTSA-N	222.372	3.610	0	1	BHAF	
CC1=C[C@H]2[C@H](CC1)C(C)(C)CC[C@H]2[C@H](C)O	2356443927	DMVUUDMWVRKRFV-FQUUOJAGSA-N	222.372	3.776	0	1	BHAF	
CC(=O)CC[C@@H]1C(C)=CC[C@@H](C)C1(C)C	14557276	GOWGYNUJGXNVOU-DGCLKSJQSA-N	208.345	3.984	0	1	BHAF	biogenic
CC(C)[C@]1(O)CCC2=CCC[C@H](C)[C@@]2(C)C1	15201056	WMZDTEBVGDPDQL-CFVMTHIKSA-N	222.372	3.920	0	1	BHAF	biogenic
CN[C@]12CC=CC[C@@H]1C[C@H](C)c1ccccc12	36294125	DYWTYZQHULDNCR-WOSRLPQWSA-N	227.351	3.575	0	1	BHAF	
CCCCc1cc2c([nH]c3ccccc32)c(=O)o1	72108891	OVJWSFMQZSRZGH-UHFFFAOYSA-N	241.290	3.617	0	1	BHAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C=CC[C@]2(O)C1	238777963	JNBALBRLKPORBC-OSRDXIQISA-N	220.356	3.530	0	1	BHAF	
CC1=C[C@H]2[C@H]3C(=O)[C@H]1[C@@]3(C)CCCC2(C)C	257464485	KKQDNHZABGRCAS-JUFZMCDQSA-N	218.340	3.594	0	1	BHAF	endogenous,in-man
Cc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1C	587966891	HXCDLSCCTUBGGO-YNEHKIRRSA-N	238.334	3.859	0	1	BHAF	
CC[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCN1	35090376	CJUVIUZOUUBMJB-UONOGXRCSA-N	237.774	3.976	0	1	BHAF	in-vivo
CC1=C[C@H]2[C@@H](C(C)C)CC[C@](C)(O)[C@@H]2CC1	12153076	LHYHMMRYTDARSZ-BARDWOONSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
c1ccc([C@@H]2CN3CCC[C@H]3c3ccccc32)cc1	28012188	KJHWRRVSXANANB-ROUUACIJSA-N	249.357	3.969	0	1	BHAF	
CC(C)c1ccc(N2CCCCC2)cc1	33646768	SGZIDRGWNJDHRL-UHFFFAOYSA-N	203.329	3.800	0	1	BHAF	
CC1=CC[C@@H]2C[C@H]1[C@]2(C)CC/C=C(/C)CO	100780006	JGINTSAQGRHGMG-DCDVMTSPSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
C[C@@H]1CC=CC[C@H]1c1nc2ccnc(Cl)c2[nH]1	587966332	CYZPVOXLJNGDCI-RKDXNWHRSA-N	247.729	3.681	0	1	BHAF	
CC1=CC(=O)[C@H]([C@@H](C)CCC[C@@H](C)C=O)CC1	13377660	XHFLMXWCAVSQNH-RDBSUJKOSA-N	236.355	3.553	0	1	BHAF	biogenic
CC1(C)[C@@H]2[C@@H]3[C@@](C)(O)CCC[C@]3(C)CC[C@H]21	257396086	CJRKEDMYNFITCQ-NUNXZZDCSA-N	222.372	3.610	0	1	BHAF	
CC1=Cc2[nH]nc(C)c2[C@@H](c2ccccc2)C1	4140254	SOBTVCXFFLNSSB-CYBMUJFWSA-N	224.307	3.657	0	1	BHAF	
NC[C@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1	27997610	JRNZMQHRXKVRNL-RLNQVHQUSA-N	249.785	3.819	0	1	BHAF	
CN1C=Nc2ccccc2C[C@@H]1c1ccccc1	49720163	NIOUCIOFBGANGE-MRXNPFEDSA-N	236.318	3.576	0	1	BHAF	
CC[C@H](C)c1cc([C@@H](O)C(F)(F)F)ccc1O	84729602	GQQBRVZIRYZGGU-WRWORJQWSA-N	248.244	3.501	0	1	BHAF	
Clc1cccc(C2=NO[C@H]3CCCC[C@@H]23)c1	95573812	NSICCINQXFMPHF-NEPJUHHUSA-N	235.714	3.633	0	1	BHAF	
Cc1ccc2c(c1)O[C@]1(C)CCCC[C@H]21	2356284376	YROXLKZGAZSYJV-TZMCWYRMSA-N	202.297	3.804	0	1	BHAF	
C[C@@H]1C(=O)C[C@@]2(C)C[C@H]1[C@]1(C)CCC[C@@]12C	2356691310	DRNLMIXGZNDYEP-RFBJSHEKSA-N	220.356	3.818	0	1	BHAF	
COc1ccc2c(c1)CC/C2=C\c1cccnc1	13610786	HVRLSDXXVKSVBR-UKTHLTGXSA-N	237.302	3.577	0	1	BHAF	in-vivo
CC1=CC(=O)[C@H]([C@@H](C)CCC[C@H](C)C=O)CC1	14859936	XHFLMXWCAVSQNH-IHRRRGAJSA-N	236.355	3.553	0	1	BHAF	biogenic
CC(C)C1=CC[C@]2(C)CCC[C@](C)(O)C2=C1	15207154	LGUGFZKFDQBVJK-GJZGRUSLSA-N	220.356	3.840	0	1	BHAF	biogenic
O=C(CCCCCc1ccccc1)C(F)(F)F	26641728	OYIOJJUJKLHWGM-UHFFFAOYSA-N	244.256	3.921	0	1	BHAF	in-vivo
Cc1ccc2c(c1)CN(CCC(C)C)C(=S)N2	58604119	XFNLRUHOVUIHHD-UHFFFAOYSA-N	248.395	3.554	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@H]3CC[C@]2(C)[C@H](O)[C@H]31	238774976	MNNFKQAYXGEKFA-CWFCOSEVSA-N	222.372	3.610	0	1	BHAF	
CC(C)[C@@H]1COC(c2cccc3ccccc23)=N1	8680149	BOUPXYXHWKSTJU-HNNXBMFYSA-N	239.318	3.641	0	3	BHAF	
Cc1ccc2c(c1)[C@@H](C(C)C)CC[C@]2(C)O	13381544	MTOMOICLIZNIAM-DOMZBBRYSA-N	218.340	3.736	0	1	BHAF	biogenic
Nc1c2c(nc3cccc(Cl)c13)[C@H]1CC[C@H]2C1	101239485	KDPXEJGRLUVMJN-YUMQZZPRSA-N	244.725	3.835	0	1	BHAF	
CC(=CCC[C@H](C)[C@H]1C2C[C@H]3[C@@H](C2)C13C)CO	2356596890	UWSUGXFVYBVFDX-USRVDHRYSA-N	234.383	3.633	0	1	BHAF	
CC1=CC[C@@H]2[C@H](CO)CC[C@@H](C(C)C)[C@H]2C1	2356759362	ISYMMRJPYSWIPM-BYNSBNAKSA-N	222.372	3.633	0	1	BHAF	
CC1=CN2[CH]C=CC=C2N1Cc1ccccc1C	2356833236	RLCWFNSUCBVRCH-UHFFFAOYSA-N	237.326	3.547	0	1	BHAF	
C[C@@H]1CC=C[C@@]23CC[C@@H](C[C@@]12C)C(C)(C)O3	15159818	JHJVISLPRJLTJT-PAPYEOQZSA-N	220.356	3.936	0	1	BHAF	biogenic
CC1(C)C[C@@H]2C3=C[C@@H](O)C[C@](C)(CC[C@@H]21)C3	40394308	ZFCWIYMRAXIXKT-GUIRCDHDSA-N	220.356	3.530	0	1	BHAF	
Cc1cccc2c3c([nH]c12)-c1nocc1CCC3	73200213	XEOKNBFBVIVXNZ-UHFFFAOYSA-N	238.290	3.620	0	1	BHAF	
CC[C@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1	587954793	CHYMRPJAABZKLC-YFKPBYRVSA-N	244.125	3.778	0	1	BHAF	
c1ccc2c(-c3cccc4nccn34)cncc2c1	61927354	YEYLEEQRAKGNBR-UHFFFAOYSA-N	245.285	3.550	0	3	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@@]3(C)CC[C@@]12C[C@@H]3O	14416900	CSTOJISGDOIIDQ-FUQNVFFISA-N	222.372	3.610	0	1	BHAF	biogenic
CC(=O)CC[C@@H](c1cc(C)co1)C(C)C	14711272	NCBKUTILUODENZ-GFCCVEGCSA-N	208.301	3.697	0	1	BHAF	biogenic
CC1(C)[C@@H]2[C@H]1CCC1=CCC[C@](C)(O)[C@]12C	14856023	KNXZVLCOUSPZJD-PAPYEOQZSA-N	220.356	3.530	0	1	BHAF	biogenic
Cc1ccc2c(c1)/C(=C\c1ccncc1)CC2	34114852	JRWJGUYEZHCVMC-PTNGSMBKSA-N	221.303	3.877	0	1	BHAF	in-vivo
CCCCC[n+]1c(C)sc2ccccc21	96928479	KQHAEQVXPYLVRD-UHFFFAOYSA-N	220.361	3.687	0	1	BHAF	
O=C1C[C@H](c2ccco2)Oc2ccc(Cl)cc21	103175424	DTAPFCZRVOKVJC-CYBMUJFWSA-N	248.665	3.640	0	1	BHAF	
CC(C)C1=C[C@@]2(CC[C@](C)(NC=O)C2)[C@H](C)CC1	140378902	NLOXORYANZABDO-VNQPRFMTSA-N	249.398	3.674	0	1	BHAF	
C1=C(c2cc3c4c(cccc4n2)CC3)CCC1	587214105	ONTLLANMMBLIQC-UHFFFAOYSA-N	221.303	3.901	0	1	BHAF	
Cc1ccnc(-c2c(C)[nH]c3cc(F)ccc23)c1	587636940	QDYOLTXGSICEKI-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
CC[C@H](C)c1nc2cc(C)c(F)cc2[nH]1	587955895	LYUYAUMGJIOEKW-ZETCQYMHSA-N	206.264	3.524	0	1	BHAF	
CC1=CCC2=C(C)C[C@@H]3OC(=O)C(C)=C3C[C@]12C	2356450150	JTFFVJQNSXOGKP-GOEBONIOSA-N	244.334	3.695	0	1	BHAF	
CC(C)C(=O)CCC=CC=CC(C)(C)[C@H](C)O	2356861949	UVKLYJFZSSUNQM-ZDUSSCGKSA-N	238.371	3.511	0	1	BHAF	
C[C@H]1CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C=C12	15209577	SRHDLIDOZXPROB-ZOWXZIJZSA-N	222.372	3.920	0	1	BHAF	in-man
C/C=C\CC/C=C/C=C/C(=O)N1C=CCCC1	34294313	FEOFBIPCMIUROD-AMJQMGDOSA-N	231.339	3.591	0	1	BHAF	
CC/C=C\CCCCCCCOC(C)=O	59725059	PRTUIHSPUMKFOO-PLNGDYQASA-N	212.333	3.856	0	1	BHAF	
CC(C)CCOc1ccccc1-c1c[nH]cn1	117620629	JNSFTESNPBHTNH-UHFFFAOYSA-N	230.311	3.502	0	1	BHAF	
C[C@@H]1CCC[C@]23CC[C@H](C[C@@]12C)[C@@](C)(O)C3	238755882	NOIYPYZTDMDJHQ-NIFZNCRKSA-N	222.372	3.754	0	1	BHAF	
CCc1cccc2sc3c(c12)CCC3	238781765	WJXPGAGLNRZNDM-UHFFFAOYSA-N	202.322	3.952	0	1	BHAF	
CC(C)C1=C[C@H](O)[C@H](C)CC=C[C@@H](C)CC1	2356524278	XRVZBFPDDHAYMH-NFAWXSAZSA-N	222.372	3.942	0	1	BHAF	
CC1=CC[C@@H]2[C@@H]1C[C@@H](C(C)C)CC[C@]2(C)O	2356751851	QVIBTAJDNXPTIG-YJNKXOJESA-N	222.372	3.776	0	1	BHAF	
C/C=C(\C)C(=O)OC/C=C/CCCCC	33842396	GBGKUFKLQQVVGD-AHPNURPESA-N	210.317	3.632	0	1	BHAF	
C[C@]12C[C@H]1CCc1c2nc2cccc3c2c1CC3	587215992	XSTLOCBCTKDJKN-DIFFPNOSSA-N	235.330	3.557	0	1	BHAF	
Nc1c(-c2ccccc2)[nH]c2cccc(F)c12	587636359	YDBRGBWUNZRZPW-UHFFFAOYSA-N	226.254	3.556	0	1	BHAF	
Cc1ccc2oc(=O)c(-c3cccs3)cc2c1	653754317	NCFDLDNOVBBFGK-UHFFFAOYSA-N	242.299	3.830	0	1	BHAF	
C[C@@H]1CCC[C@](C)(O)C[C@@H]2[C@@H](CC1)C2(C)C	2356732839	ACQCKSNSPHLAFM-BHPKHCPMSA-N	224.388	4.000	0	1	BHAF	
CC(C)CC(=O)C[C@@H](C)C1CCC(C=O)CC1	14619029	CCESFWBGKDVCRQ-IYXRBSQSSA-N	238.371	3.633	0	1	BHAF	biogenic
CCCCc1cc2c(nc(N)c3ccccc32)o1	96910834	RMGKHZRVCVKGBU-UHFFFAOYSA-N	240.306	3.906	0	1	BHAF	
c1cc2c3c(cccc3c1)[C@H](c1c[nH]cn1)CC2	13757206	KFGFWNKBPWPCKX-CYBMUJFWSA-N	234.302	3.641	0	1	BHAF	in-vivo
Cc1nc(Nc2ccccc2)c2cc(C)oc2n1	169326067	HTNOBSCJRZGDSX-UHFFFAOYSA-N	239.278	3.583	0	1	BHAF	
Cc1nc2cccc3c2c(c1C1CCC1)CC3	587212449	ADPLLUQTDHOFFJ-UHFFFAOYSA-N	223.319	3.909	0	1	BHAF	
COc1ccc2c(c1)/C(=C/c1cccnc1)CC2	13610792	NDEGTMIIOPDVPA-NTEUORMPSA-N	237.302	3.577	0	1	BHAF	in-vivo
CC(C)=CCC[C@H](O)[C@@H]1CC=C(C)CC1	238733707	GRWNCQTXRVSTRT-KGLIPLIRSA-N	208.345	3.840	0	1	BHAF	
C[C@@H]1[C@H]2CC[C@H]3[C@H]2C(C)(C)C(=O)CC[C@]31C	2356467886	IDGOUUWCFVZDEL-SGOHARFASA-N	220.356	3.674	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)C[C@@]3(C)CC[C@H]1[C@]23O	5839364	ZCRYDCBITZERMT-PRSHDEELSA-N	222.372	3.610	0	1	BHAF	
CC(C)=CCC[C@H](C)[C@@]12CC[C@@](C)(O)[C@@H]1C2	14697017	IRDFGGRWKUKANK-XQLPTFJDSA-N	222.372	3.920	0	1	BHAF	in-man
CC1=C(C)[C@@](C)(C2=CCC(CO)=CC2)CC1	84704829	GMYASKWNAWMMGB-HNNXBMFYSA-N	218.340	3.762	0	1	BHAF	
CC1=C2C[C@H](C)CC[C@H]2[C@H](C(C)(C)O)CC1	2356672087	WKWATASPNZWAFM-MPKXVKKWSA-N	222.372	3.920	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CC=C(C(C)(C)O)C=C12	15207164	SCFWEZZRBBRNAV-IAQYHMDHSA-N	220.356	3.840	0	1	BHAF	biogenic
CC1=CCC[C@@]2(C)CC[C@H](C(C)C)C(=O)[C@@H]12	15209390	OUIUORSUNABXEN-NFAWXSAZSA-N	220.356	3.984	0	1	BHAF	endogenous,in-man
CC1=CCC[C@]2(C)CC[C@@](O)(C(C)C)C[C@H]12	33831128	XODMCSWLHUKKPW-KFWWJZLASA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
CCCCOCC[C@@H]1CC=C[C@@H]1OCCCC	103213373	IXGLRFJSMBPNCR-GJZGRUSLSA-N	240.387	3.955	0	1	BHAF	
CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC(=O)[C@@H]3C	197215046	QGZLQHVSALKXDZ-UHXUCMFUSA-N	218.340	3.594	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(C)cc2[nH]1	586890392	OSTBZTSQSCIUIJ-HZMBPMFUSA-N	214.312	3.775	0	1	BHAF	
Cc1cc(F)c2[nH]c(C=C3CCC3)nc2c1	587964579	DFZYAQZHGUDVSA-UHFFFAOYSA-N	216.259	3.578	0	1	BHAF	
C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1cccs1)C2(C)C	1857630886	WHJJGMNZILGLPT-MHDGFBEUSA-N	249.423	3.908	0	1	BHAF	
CC(C)[C@@H]1CC[C@]2(C)CC=C(C(=O)O)CC=C12	2356532261	IJONQLXWTMQRPH-WFASDCNBSA-N	234.339	3.790	0	1	BHAF	
c1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]1c1ccncc1	100025717	KNIGVLQBCXKAGG-OAGGEKHMSA-N	221.303	3.525	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@H](C1CC1)CC4)CC2	587213151	GRGSDTGLJPQGFH-LBPRGKRZSA-N	235.330	3.773	0	1	BHAF	
CC1=CCCC(C)(C)[C@@H]2C=C(CO)CC[C@@H]12	14439367	UCUDZMUAHCPZCI-UONOGXRCSA-N	220.356	3.698	0	1	BHAF	biogenic
C[C@@H]1CC[C@@H]2C(C)(C)C(=O)[C@@]3(C)CC[C@]21C3	14764810	FKIMAXRXZJXZBA-HKCMKHECSA-N	220.356	3.818	0	1	BHAF	biogenic
CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)[C@@H](O)C1	59065785	NOCUZOKOOMNRCW-MCIONIFRSA-N	220.356	3.696	0	1	BHAF	in-vitro
CC1=C[C@@H]2CC(C)(C)[C@H]1C[C@H](O)c1ccoc12	95602210	AURHAUOFBQPZMC-WXHSDQCUSA-N	232.323	3.793	0	1	BHAF	
C[C@@H]1CCC(Nc2cccc3c2CCCC3)=N1	143038945	FHEBDPNLPXLQBY-LLVKDONJSA-N	228.339	3.558	0	1	BHAF	
C=C/C(C)=C\[C@H]1C[C@H](C)CC[C@H]1C(C)(C)O	238753599	ITCKYIKWIXYNIJ-MIARRUSLSA-N	222.372	3.942	0	1	BHAF	
Oc1cccc2nc(/C=C/c3ccsc3)[nH]c12	587026074	QYGUMINDSFJXGQ-SNAWJCMRSA-N	242.303	3.500	0	1	BHAF	
CC(C)C(=O)c1coc2ccc(Cl)cc12	587276159	LTJUQSAFYLLDHJ-UHFFFAOYSA-N	222.671	3.925	0	1	BHAF	
C[C@@H](O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2	34458709	YYEKBMUASNYOCA-SNVBAGLBSA-N	248.366	3.707	0	1	BHAF	
C[C@@]12CC3C[C@]1(C)CC3(CN1CCCCC1)C2	40866297	KZZDJTYNRLSNPQ-IRHLINNNSA-N	233.399	3.689	0	1	BHAF	
Cc1cc(N2CCCCC2)nc2ccc(F)cc12	70463104	OWVABNKRDMMWQN-UHFFFAOYSA-N	244.313	3.673	0	1	BHAF	
Fc1cccc2nc(/C=C/c3ccsc3)[nH]c12	587025701	MVRCPCPCPNHZEB-SNAWJCMRSA-N	244.294	3.934	0	1	BHAF	
Cc1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587967046	KZOCLTCCLPPDPI-QJPTWQEYSA-N	224.307	3.551	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@@H]2C(=O)C[C@@H](C)C[C@H]12	2356329379	CUDCDRWHADINCC-MEDZGJRSSA-N	220.356	3.984	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@@H]2C(=O)C[C@H](C)C[C@@H]12	2356329380	CUDCDRWHADINCC-MPXAEWJHSA-N	220.356	3.984	0	1	BHAF	
CC1=CC[C@]2(O)[C@H](C)CC[C@@H](C(C)C)[C@H]2C1	13381718	UNIAPSVPVLDCMD-BARDWOONSA-N	222.372	3.776	0	1	BHAF	biogenic
C=C(C)[C@@H]1CC(=O)[C@@H]2C=CC[C@H](C)[C@]2(C)C1	15200742	CSROQEWHHKSXKD-XFMPKHEZSA-N	218.340	3.760	0	1	BHAF	biogenic
Cc1cc2c(s1)CN(C)C[C@H]2c1ccccc1	38157567	GNUBZKDKVVIDIW-AWEZNQCLSA-N	243.375	3.634	0	1	BHAF	
CC(C)O[C@@]1(C)Cc2ccc(C(C)C)c(O)c21	222129644	HDNOQFJPXZEWOZ-HNNXBMFYSA-N	234.339	3.712	0	1	BHAF	
CC1(C)CC=C[C@]23C=Cc4ccoc4[C@@H]2[C@@H]13	2356674493	KINLNJHMSZLRAC-ZLDLUXBVSA-N	212.292	3.992	0	1	BHAF	
COc1ccc2c(c1)C=C(c1cccnc1)CC2	13684511	FRRCRJNTZUDNQM-UHFFFAOYSA-N	237.302	3.577	0	1	BHAF	
COc1ccc(/C=C/c2ccccc2)cc1OC	26577689	BSHIPXLJHQKYFU-CMDGGOBGSA-N	240.302	3.874	0	1	BHAF	
Cc1ccc2ccc(-c3cccc(CO)c3)cc2n1	28823055	IPRCARTWCVTTOP-UHFFFAOYSA-N	249.313	3.703	0	1	BHAF	in-vivo
CC(=O)CCC(=O)c1cc2occ(C)c2cc1C	14694227	BIQIXQNJOKXALH-UHFFFAOYSA-N	244.290	3.602	0	1	BHAF	biogenic
CN(C)CCc1cccc(-c2ccsc2)c1	28821766	OCVTVJDIARVZCC-UHFFFAOYSA-N	231.364	3.519	0	1	BHAF	
CC(C)O[C@]1(C)Cc2ccc(C(C)C)c(O)c21	222129696	HDNOQFJPXZEWOZ-OAHLLOKOSA-N	234.339	3.712	0	1	BHAF	
C/C=C\C=C\C=C/C=C/CC[C@@H](O)CC	238760900	MDEBZXWDIHBXDZ-OUMZJPNDSA-N	206.329	3.782	0	1	BHAF	
C[C@H]1CC[C@H]2[C@H]3C(C)(C)C[C@@]2(C)CC[C@@]13O	2356444804	JHDRSBFWLKWPRQ-JQPXUNLUSA-N	222.372	3.610	0	1	BHAF	
CO[C@H](C)c1ccc(O)c(CC=C(C)C)c1	2356575329	JCQQBIJQJDCOAB-LLVKDONJSA-N	220.312	3.608	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@@H](C)[C@@]2(O)CC1	2356610012	RLQQLZPOMNLHJN-YUELXQCFSA-N	220.356	3.840	0	1	BHAF	
C[C@@H]1CC=C[C@]23CC[C@H](C[C@@]12C)C(C)(C)O3	33950658	JHJVISLPRJLTJT-UXOAXIEHSA-N	220.356	3.936	0	1	BHAF	
C[C@@H](CCC[C@@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O	100783134	GDGGAJNITUJKMP-DWUXFXIFSA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
CCN(C)C[C@H]1C[C@H]1c1ccc2ccccc2c1	261164881	RSKCEJCNFPNSGQ-SJORKVTESA-N	239.362	3.895	0	1	BHAF	
CC1=C(C)c2nc3cccc4c3c(c2C1)CC4	587214548	BTXBAYQAOFOFHO-UHFFFAOYSA-N	221.303	3.683	0	1	BHAF	
O=C1SCc2cc(-c3ccccc3)ccc21	1772577780	NKTJGCWGSAXGPU-UHFFFAOYSA-N	226.300	3.741	0	1	BHAF	
CC(C)=CCC[C@](C)(O)CCC[C@@H](C)CCO	15214217	SYBUVPWLOMFION-CABCVRRESA-N	242.403	3.673	0	1	BHAF	biogenic
CC1(C)CCC[C@]2(C)[C@@H]3CC[C@@]2(C)[C@@H](O)[C@@H]31	100202400	MNNFKQAYXGEKFA-AMVBZWJASA-N	222.372	3.610	0	1	BHAF	in-vitro
C/C1=C/CC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1	100778052	KDPFMRXIVDLQKX-CUBYMHMKSA-N	236.355	3.553	0	1	BHAF	endogenous,in-man
Cc1ccc(-c2ccccc2C2=NCN=N2)cc1	102409803	OKOIZTLRSHMQRN-UHFFFAOYSA-N	235.290	3.832	0	1	BHAF	
C/C1=C/CC(C)(C)CC2=C(C[C@@H]1O)C[C@H]2C	238784349	HKOYGJNJKYCWBP-RYNCZXSTSA-N	220.356	3.840	0	1	BHAF	
c1cc2nc(-c3ccc(C4CCC4)cc3)[nH]c2cn1	586878740	AIKQZFVRVZRZDO-UHFFFAOYSA-N	249.317	3.892	0	1	BHAF	
CC1=C(Cl)C=C[P@@](=O)(OC(C)C)C1	1625785	QFSZGOPFUCXBAQ-CYBMUJFWSA-N	220.636	3.730	0	1	BHAF	
CC1=N[C@@H](c2ccccc2)Cc2ccccc2N1	27100364	PYRSCMLYSARZTK-MRXNPFEDSA-N	236.318	3.814	0	1	BHAF	
COc1ccccc1-c1nc2ccc(F)cc2o1	40972772	QAJHIVNJPVTGCK-UHFFFAOYSA-N	243.237	3.643	0	1	BHAF	
CC1=CC[C@@H](C2=CC[C@@H](CO)CC2)C1(C)C	64624727	XQIOPWXEFQXMSF-OCCSQVGLSA-N	220.356	3.698	0	1	BHAF	in-vitro
Cc1cnc2c(c1)CCC[C@H]2c1nc(C)cs1	169314308	SKADNDDXNXYLGR-GFCCVEGCSA-N	244.363	3.623	0	1	BHAF	
N#Cc1ccccc1/C=C/c1ccccc1F	216207757	OJJQDGOGOCEXCC-MDZDMXLPSA-N	223.250	3.868	0	1	BHAF	
C[C@@H]1CCC2=C3[C@@H]1CC[C@@]3(C)C[C@@]2(C)CO	2356863831	UTKCUTQPQQMYJI-FIXIBIHLSA-N	220.356	3.532	0	1	BHAF	
CN1[C@@H]2Cc3ccccc3[C@@]1(C)[C@@H]1CCCC[C@H]21	3795428	LGEKADIHPOTMRU-SVGFKBNWSA-N	241.378	3.578	0	1	BHAF	
COc1cc2c(cc1C)[C@@H](C(C)C)C(=O)C[C@H]2C	13381457	MGLWKHLTALUWRL-QLJPJBMISA-N	246.350	3.820	0	1	BHAF	biogenic
Cc1ccc2c(=O)[nH]c(-c3ccccc3C)cc2c1	27522464	JFNDUQYQBKMAEG-UHFFFAOYSA-N	249.313	3.812	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)C[C@@H](C1CC1)CC4)CC2	587215802	VJODTNXALYIYEM-ZDUSSCGKSA-N	249.357	3.848	0	1	BHAF	
O=NC=C1C=CC=CN1CCCc1ccccc1	1857582674	JLDPUANBWZZEPY-UHFFFAOYSA-N	240.306	3.613	0	1	BHAF	
C[C@@H]1C=CC=C2Cc3occc3CC[C@@]21C	13308981	LSMXMJRDVCMVEX-IAQYHMDHSA-N	214.308	3.907	0	1	BHAF	biogenic
CC(C)=C1C=C2[C@@H](C)CCC[C@]2(CO)CC1	15207194	FEQIVKLOJASWGY-SWLSCSKDSA-N	220.356	3.842	0	1	BHAF	biogenic
Cc1cccc2c1[C@@H](c1ccccc1)CN(C)C2	95563453	PUACBDCIAIMRLD-MRXNPFEDSA-N	237.346	3.572	0	1	BHAF	
Clc1ccc2nc(-c3ccncc3)ccc2c1	95574911	BHSKGGKTLVDSMS-UHFFFAOYSA-N	240.693	3.950	0	1	BHAF	
CC1=C2C=C([C@H](O)C(C)C)C[C@]2(C)CCC1	2356493470	UOVORXZPBDGJCT-CABCVRRESA-N	220.356	3.840	0	1	BHAF	
CC1=C2CC[C@](C)(O)[C@H]2[C@@H]2[C@H](CC1)C2(C)C	13372975	FPRYGNYXOFHMLF-XFMPKHEZSA-N	220.356	3.530	0	1	BHAF	in-man
CN1[C@@H]2Cc3ccccc3C[C@@]1(C)c1ccccc12	28757935	PGYCMPKCOVLXAW-MSOLQXFVSA-N	249.357	3.687	0	1	BHAF	
O=C(O)CCC/C=C\CCCCCCCCO	33822264	XVNKMDSYLQAATP-XQRVVYSFSA-N	242.359	3.521	0	1	BHAF	
Cc1ccc2nc(-c3occ4c3CCC4)[nH]c2c1	586905439	OSYZZHNWSIZSGF-UHFFFAOYSA-N	238.290	3.620	0	1	BHAF	
CC(CO)=C1CCC2=CCC[C@@H](C)[C@]2(C)C1	2356479827	FXWSXJNUPFBCMQ-DOMZBBRYSA-N	220.356	3.842	0	1	BHAF	
C=CC(C)=C[C@@H]1C[C@@H](C)CC[C@@H]1C(C)(C)O	2356643136	ITCKYIKWIXYNIJ-MJBXVCDLSA-N	222.372	3.942	0	1	BHAF	
CCCC[C@]1(O)C[C@@H]2C[C@@H]1[C@@H](C)C2(C)C	195514637	SMRFYWWGKRCKHO-CZXHOFHRSA-N	210.361	3.610	0	1	BHAF	
Cc1ccc2nc(/C=C\c3ccc(N)cc3)[nH]c2c1	587252138	XHTZBVMDKDTVAX-UITAMQMPSA-N	249.317	3.624	0	1	BHAF	
Cc1sc2c(F)cccc2c1[C@@H]1C=CN=CN1	653882839	GJXDCUXPISVVBR-NSHDSACASA-N	246.310	3.535	0	1	BHAF	
CC(C)(C)NC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2	2026758	GQVAVCMUBAPBDP-LFOFOYIVSA-N	249.398	3.508	0	1	BHAF	
CC1=C[C@@H]2C(=C(C(=O)O)CC[C@@H]2C(C)C)CC1	13381121	FUXWMRTVDHMJSZ-RISCZKNCSA-N	234.339	3.790	0	1	BHAF	biogenic
C=C(C)[C@@H]1CC(=O)[C@@H]2CCC[C@H](C)[C@]2(C)C1	15201161	MBCCYMFBPDSCIK-XFMPKHEZSA-N	220.356	3.984	0	1	BHAF	biogenic
CN(C)[C@@H]1CC[C@H](c2c[nH]c3cccc(F)c23)C1	64393092	XOEYYOYWTDHCHM-WDEREUQCSA-N	246.329	3.505	0	1	BHAF	
C[C@H]1CC[C@]2(C)C(C(=O)O)=C[C@@]3(C)CCC[C@@]123	85944188	CJSUPQGKCXPJHG-QOWREQOWSA-N	234.339	3.624	0	1	BHAF	
CCCN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@H]1C2	101331966	ZFMWPFRYIWXMAF-QRTARXTBSA-N	241.378	3.868	0	1	BHAF	
CC1=CCC[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@H]12	238759013	AYZYZJOUAKBQDF-ZQDZILKHSA-N	222.372	3.776	0	1	BHAF	
Cc1cc(C)c2[nH]c([C@@H]3C[C@@H](C)CCO3)nc2c1	586916791	DHVJBYUNRIMKMQ-ZANVPECISA-N	244.338	3.667	0	1	BHAF	
C[C@H]1Cc2nc3cccc4c3c(c2C[C@@H]1C)CC4	587215772	UWLPCEPHERCUSV-QWRGUYRKSA-N	237.346	3.704	0	1	BHAF	
CCCC/C=C/c1nc2c(Cl)ccnc2[nH]1	587966838	YKRKJLYAYPIDQS-AATRIKPKSA-N	235.718	3.815	0	1	BHAF	
CCC[C@@H]1O[C@H](c2ccco2)OC[C@@H]1CC	16892646	OUGLWZHYCRWZCQ-GMXVVIOVSA-N	224.300	3.520	0	3	BHAF	
CCCCCC[C@@H](C)/C=C(C)/C=C/C(N)=O	15119732	SQTPXUBCYVVRHH-FHYDJSHKSA-N	223.360	3.581	0	1	BHAF	
CC1=CCC[C@]2(C)CC[C@H](C(C)(C)O)C=C12	15206795	ZGXJVMOLIQCZFN-SWLSCSKDSA-N	220.356	3.840	0	1	BHAF	biogenic
Cc1ccc(-c2csc3ncc(C)n23)cc1	98174435	IARJWIALBLLLAU-UHFFFAOYSA-N	228.320	3.680	0	1	BHAF	
FC(F)(F)c1cccc2nc(C3CCC3)[nH]c12	586885238	ZHADUTMUCHKTTC-UHFFFAOYSA-N	240.228	3.849	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cc(C)cc(F)c2[nH]1	586886953	DUQSQNAJVDIDJV-LKFCYVNXSA-N	232.302	3.914	0	1	BHAF	
CCCCCCN1CC[C@@H](c2cccc(O)c2)C1	1857755762	OIDVIVFTQMTONJ-OAHLLOKOSA-N	247.382	3.762	0	1	BHAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C(=O)O)CC[C@@]2(C)C1	2356799691	UTAPFIDKLZCUOR-FDRIWYBQSA-N	236.355	3.704	0	1	BHAF	
C/C=C/C=C\CC/C=C/C(=O)NC[C@@H](C)CC	33838565	LWJDBUUOYULAFU-BIQWTQLISA-N	235.371	3.617	0	1	BHAF	
CCN(C)[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@@H]1C2	169372971	UCTCXOLUFQJROF-UNEWFSDZSA-N	241.378	3.820	0	1	BHAF	
CC1(C)[C@@H]2CC[C@@]3(C)CCC[C@](C)(O)[C@@H]3[C@@H]21	257396085	CJRKEDMYNFITCQ-FWZIUSJTSA-N	222.372	3.610	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]3C[C@@](C)(CCC3=O)CC[C@@H]21	2356330388	JLZBTPJKBKNFEG-OXJKWZBOSA-N	220.356	3.818	0	1	BHAF	
CC1=CC[C@@]2(C)[C@H](O)[C@H]1[C@@]1(C)CCC[C@@]21C	2356624806	PKLUCFDICCLDGA-VYDRJRHOSA-N	220.356	3.530	0	1	BHAF	
CC(C)=C1CCC(C)=C2CC[C@](C)(O)[C@H]2C1	15264315	ZVIMQWMKXPGGTC-GJZGRUSLSA-N	220.356	3.984	0	1	BHAF	biogenic
COc1ccc2c(c1)-c1[nH]c3ccccc3c1C2	38339758	OHJHKPQQIDHAEA-UHFFFAOYSA-N	235.286	3.748	0	1	BHAF	
FC(F)(F)c1ccc2c(c1)[nH]c1ncccc12	72108997	ONHBFBGGGVFESA-UHFFFAOYSA-N	236.196	3.735	0	1	BHAF	
C[C@@H]1C[C@@H]2[C@H](O)[C@@H]3CC(C)(C)C[C@@H]3[C@@]2(C)[C@@H]1C	2356721597	JXTINQFFOKAJPL-LTCWMTSWSA-N	236.399	3.712	0	1	BHAF	
CC(C)[C@@H]1CC[C@H](C)c2ccc(CO)cc21	32165007	LXEZVXMZNKFZNA-AAEUAGOBSA-N	218.340	3.816	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CO	238760969	NTVBQYIYTYHSRG-RMRHIDDWSA-N	224.388	3.857	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(OC)c(C)cc2[nH]1	586889720	MQJMHZQHCZVJRL-MEBBXXQBSA-N	244.338	3.784	0	1	BHAF	
Fc1ccc(-c2cncnc2-c2ccco2)cc1	653914383	QYJJJZUUZHYNRI-UHFFFAOYSA-N	240.237	3.543	0	1	BHAF	
C[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H]3[C@H](C3(C)C)[C@@]12C	2356628115	GYIFZGHOLFRCQN-YAWIJTDMSA-N	236.399	3.856	0	1	BHAF	
CC1(C)CC[C@@H](Sc2ccccc2)O1	1618030	IHEUXZPCYQKELP-LLVKDONJSA-N	208.326	3.694	0	1	BHAF	
CCCCN1CC[C@@H]2c3ccccc3CC[C@H]2C1	2010245	HHEIQDXGHHAKRI-RDJZCZTQSA-N	243.394	3.838	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC=C(C)[C@@H]2[C@H](O)C1	13381193	STLBTFMCSOXEAQ-YJNKXOJESA-N	220.356	3.552	0	1	BHAF	biogenic
C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]2CC1	137591204	OVDMFKGCVWVONO-SUZQJAIJSA-N	234.339	3.631	0	1	BHAF	
CSc1ccc2nc(C3CCC3)[nH]c2c1	586885118	XMWVHYDJJWCUIZ-UHFFFAOYSA-N	218.325	3.552	0	1	BHAF	
c1cc2c3c(cc(CC4CCC4)nc3c1)CC2	587214343	SFTCSKLOPDKTET-UHFFFAOYSA-N	223.319	3.676	0	1	BHAF	
Cc1cc(O)c2c3c1OC(C)(C)[C@@H]3CC[C@H]2C	2356804942	VBLIRAVWSIHZMM-PSASIEDQSA-N	232.323	3.853	0	1	BHAF	
CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CO	5063142	HMWSKUKBAWWOJL-VNHYZAJKSA-N	222.372	3.778	0	1	BHAF	in-vitro
C=C1c2c(C)cccc2C(=O)c2occ(C)c21	13300515	MKLPONAXNFOVBB-UHFFFAOYSA-N	224.259	3.502	0	1	BHAF	biogenic
C=C1CCC[C@H](C=O)CC[C@H]2[C@H]1CC2(C)C	14920605	QRSRVOUYGXKOHE-IHRRRGAJSA-N	220.356	3.984	0	1	BHAF	biogenic
c1ccc([C@H]2CCC[C@H]3CCCCN32)cc1	26726810	YEZPZIBMUGYTEZ-HUUCEWRRSA-N	215.340	3.766	0	1	BHAF	
FC(F)(F)c1ccc2c(c1)[nH]c1cccnc12	72108151	FUJRUJQSDDIUDN-UHFFFAOYSA-N	236.196	3.735	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@](C)(O)[C@@H]1CC[C@@]21C	100781980	CPLGPDHGFNXBOA-MYYUVRNCSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
CC1(C)C[C@]2(O)[C@]3(C)CCC[C@]2(C)[C@@H]1CC3	104378908	QOXUIQMPPDIDGM-NGFQHRJXSA-N	222.372	3.754	0	1	BHAF	in-man
CC(C)(Cl)c1nc2cc(Cl)cc(F)c2[nH]1	587008924	SASVXBUUWFJOPM-UHFFFAOYSA-N	247.100	3.829	0	1	BHAF	
O=C(CCCCc1ccc(F)cc1)C(F)(F)F	96915438	OQAYUPFCAZEWKT-UHFFFAOYSA-N	248.219	3.670	0	1	BHAF	
CC1=CNC=N[C@@H]1c1sc2ccccc2c1C	205578600	TWRVYMXYRKCEOA-ZDUSSCGKSA-N	242.347	3.786	0	1	BHAF	
CC(C)[C@]1(O)CC[C@@]2(C)CC=C[C@@H](C)[C@H]2C1	2356347902	QTYOCPHBJLCFIG-TUVASFSCSA-N	222.372	3.776	0	1	BHAF	
Cc1cc2nc(/C=C/c3ccncc3)[nH]c2cc1C	7089625	CGMBCKVCCZLKQT-ONEGZZNKSA-N	249.317	3.745	0	1	BHAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2C=C[C@@H](C)[C@@H]2C1	15265219	POPRCLKXBLDRNY-QMIVOQANSA-N	222.372	3.632	0	1	BHAF	biogenic
COc1ccccc1CC1=CC[C@H](C)CC1	26839941	PLKAFSDTBHOTRA-LBPRGKRZSA-N	216.324	3.984	0	1	BHAF	
CCn1cccc1-c1cc2c3c(cccc3n1)CC2	587210682	DPCQFNXUDNPUGC-UHFFFAOYSA-N	248.329	3.822	0	1	BHAF	
S=c1ccccn1C=Cc1ccccc1	2356820380	FKGZATHETJZCCP-UHFFFAOYSA-N	213.305	3.845	0	1	BHAF	
CC1=C[C@H]2[C@H]3C(=O)[C@@H]1[C@]3(C)CCCC2(C)C	104370711	KKQDNHZABGRCAS-OXIQGZBJSA-N	218.340	3.594	0	1	BHAF	in-man
Oc1ccc2nc(/C=C\c3ccsc3)[nH]c2c1	587026868	ZSNKVRRCCZIDLT-RJRFIUFISA-N	242.303	3.500	0	1	BHAF	
Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1	587215094	BCSZTIHBJNHVBI-UHFFFAOYSA-N	247.297	3.706	0	1	BHAF	
CCC[C@@H](O)c1nc2ccc(C(C)(C)C)cc2[nH]1	1857607434	NYIFQZJDUJIPTK-CYBMUJFWSA-N	246.354	3.694	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@H]3CC(=O)OCC3=CC[C@H]12	2356563639	LGRHALRTKURVFA-WOSRLPQWSA-N	248.366	3.712	0	1	BHAF	
CSc1nsc(-c2ccccc2)[s+]1	5811591	BJYJNFGIKNRTQH-UHFFFAOYSA-N	226.371	3.875	0	1	BHAF	
CCN(C)C[C@H]1C[C@@H]1c1ccc2ccccc2c1	28960469	RSKCEJCNFPNSGQ-IAGOWNOFSA-N	239.362	3.895	0	1	BHAF	
Cc1cc(C)c(CCN2CCC[C@H]2C)c(C)c1	29131204	QBCRKTLSCLLIPY-OAHLLOKOSA-N	231.383	3.639	0	1	BHAF	
CCCCCC1=N[C@@H](CC(C)=O)CCC1	238764415	NKPHHWKIIMACPX-CYBMUJFWSA-N	209.333	3.539	0	1	BHAF	
CC(=CCC[C@H](C)CCO)CCCC(C)(C)O	2356380749	POJZZBGTYFIPQO-AWEZNQCLSA-N	242.403	3.673	0	1	BHAF	
CC(C)CC(=O)C[C@H](C)C1CCC(C=O)CC1	14619030	CCESFWBGKDVCRQ-HSBZDZAISA-N	238.371	3.633	0	1	BHAF	biogenic
C/C1=C\CCC(=O)[C@H]2CC(C)(C)[C@@H]2CC1	34415411	MBZBBVTYLUNZPJ-RGEGJOEESA-N	206.329	3.738	0	1	BHAF	in-vitro
CC=C=CCN(C)[C@H]1CCCc2ccccc21	95614789	WTDLQMOJUSRDRW-OAHDRGBVSA-N	227.351	3.727	0	1	BHAF	
C/C1=C\CC/C(CO)=C\[C@@H]2[C@@H](CC1)C2(C)C	137466879	FWWVEVHJDLNKDJ-DEYGBIPTSA-N	220.356	3.698	0	1	BHAF	
CCC/C=C/C=C\CCc1cc(O)cc(O)c1	208705158	OKTHKZQEUMDKTD-DEQVHDEQSA-N	232.323	3.943	0	1	BHAF	
CN1CCCC[C@H]1C1C2CC3CC(C2)CC1C3	3654578	FKVDYJJHHHHRGO-CGAUPDFVSA-N	233.399	3.543	0	1	BHAF	
CC(C)(C)CCOc1ccccc1-c1cnc[nH]1	117620206	CCXJFZBLQVPTMX-UHFFFAOYSA-N	244.338	3.892	0	1	BHAF	
NCCCCc1ccc(-c2cccs2)s1	1772652742	NSKBHRRLSZUUOZ-UHFFFAOYSA-N	237.393	3.758	0	1	BHAF	
C[C@@H]1CC[C@@]2(C)C(C)(C)[C@H]3CC[C@@]2(O)[C@H]1C3	2356525686	YHYHTHCGKWIVMS-FUQNVFFISA-N	222.372	3.610	0	1	BHAF	
CCCC(=O)[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	2356764650	ZJAJBNKKRUUSMK-JTNHKYCSSA-N	208.345	3.818	0	1	BHAF	
C[C]1C=CC(C)=CN1Cc1ccccc1F	2356828981	LJUPOZHHSATYRP-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
NC1=N[C@@H]2CCCCCCCCCC[C@H]2S1	29338216	MCEJXYVWBFSGNW-VXGBXAGGSA-N	240.416	3.700	0	1	BHAF	
CCCCc1ccc(C2=CN3CCC2CC3)o1	13766631	NFVADXLLOOOZIS-UHFFFAOYSA-N	231.339	3.689	0	1	BHAF	
CSc1ccc([C@@H]2CCCn3cncc32)cc1	43169787	FOSAVCHDPGYBHT-ZDUSSCGKSA-N	244.363	3.531	0	1	BHAF	
CCCCC[C@@]1(C)N(O)c2ccccc2[N+]1=O	137933265	OMIJZWWOGHZWTL-ZDUSSCGKSA-N	235.307	3.603	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@@H]3CC(=O)OCC3=CC[C@@H]12	2356563637	LGRHALRTKURVFA-DVOMOZLQSA-N	248.366	3.712	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@@H]1c1ccsc1	13755500	UZGBLHIJMBPRON-CHWSQXEVSA-N	223.385	3.726	0	1	BHAF	
C[C@@H]1C(=O)C[C@H]2[C@@H]3CC[C@@H](C)[C@]12CC3(C)C	14718342	KHINYKJYBNWSSP-VUABOHJTSA-N	220.356	3.674	0	1	BHAF	biogenic
C[C@@H]1CCCCCCCCCCC(=O)O1	14771720	FXQRCXMLOZUIDC-GFCCVEGCSA-N	212.333	3.833	0	1	BHAF	biogenic
Cc1cc([C@@H]2CC=CCN(C)C2)ccc1Cl	95583548	MMBDWDAKDCKUAX-CYBMUJFWSA-N	235.758	3.624	0	1	BHAF	
COc1ccc2nc(C3(F)CCCCC3)[nH]c2c1	587133194	ZVMYJEASIIXKOJ-UHFFFAOYSA-N	248.301	3.700	0	1	BHAF	
C1=Cc2nc3cccc4c3c(c2CCC1)CC4	587216125	ZVBJYGHIHZCNEW-UHFFFAOYSA-N	221.303	3.683	0	1	BHAF	
CC(=O)c1c(C(F)(F)F)[nH]c2cccc(F)c12	587634252	WEZCKIWVIQMMDR-UHFFFAOYSA-N	245.175	3.528	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC=C(C(=O)O)[C@@H]2CC1	14918080	WMNZIVZTRJKKHL-OBJOEFQTSA-N	234.339	3.646	0	1	BHAF	biogenic
CC1=CC[C@@]2(C)C(=C(C)[C@@H](O)C[C@@H]2C)CC1	85772402	PYNBPBFJIFSMEA-TUKIKUTGSA-N	220.356	3.840	0	1	BHAF	
CN1[C@@]2(C)Cc3ccccc3[C@@]1(C)c1ccccc12	100649156	NTYASZOGDPMGGG-ROUUACIJSA-N	249.357	3.667	0	1	BHAF	
Oc1ccccc1N1CCC[C@@H]2CCCC[C@H]21	117168655	GSVFSJBIDHVUJE-QWHCGFSZSA-N	231.339	3.551	0	1	BHAF	
CC1(C)O[C@@]23C=CCC[C@@]2(C)CC[C@H]1C3	149514457	IEZDOTGOEOFYHV-FPMFFAJLSA-N	206.329	3.690	0	1	BHAF	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N=O	169688498	XYIISRHUJGCIOS-SECBINFHSA-N	232.308	3.946	0	1	BHAF	
C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccc(F)cc2)C1	142520999	VDDZVMNDYDIBSW-BONVTDFDSA-N	248.297	3.524	0	1	BHAF	
Cc1sc2cccc(F)c2c1[C@H]1C=CNC=N1	205565714	QWLBSWWDLXBEKT-SNVBAGLBSA-N	246.310	3.535	0	1	BHAF	
C[C@H]1CCCCCC/C=C/CCCC(=O)O1	14722597	UNYFVMZKRMXDRF-BPJJOFIESA-N	224.344	3.999	0	1	BHAF	
CC[C@]12N[C@H](Cc3ccccc31)c1ccccc12	26012255	PWOMGUJYIACTOZ-SJORKVTESA-N	235.330	3.541	0	1	BHAF	
NC1=N[C@@H]2CCCCCCCCCC[C@@H]2S1	29338208	MCEJXYVWBFSGNW-NEPJUHHUSA-N	240.416	3.700	0	1	BHAF	
Cc1ccc2c(c1)O[C@]1(C)[C@@H](C)CC[C@]21C	13370957	GKBLYWARCJKYHQ-NILFDRSVSA-N	216.324	3.834	0	1	BHAF	biogenic
CC1=CC[C@H](C(C)C)[C@H]2C=C(CO)CC[C@H]12	13381222	DFIKBBWSGFHYMP-RBSFLKMASA-N	220.356	3.554	0	1	BHAF	biogenic
CC(C)C1=CC[C@](C)(O)C2=CC[C@H](C)[C@@H]2C1	15264285	ARYPFUHQFSBUIL-WHOFXGATSA-N	220.356	3.696	0	1	BHAF	biogenic
Nc1ccc(Cl)c(-n2ccc3ccccc32)c1	40565698	QKAGZFYEYOWHGR-UHFFFAOYSA-N	242.709	3.866	0	1	BHAF	
Cc1ccccc1-c1ccccc1[C@H]1CCNC1	96175943	YQNOOZMWLPLZPJ-AWEZNQCLSA-N	237.346	3.739	0	1	BHAF	
CC(C)[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H]([C@@H]31)[C@]42C	100199757	XBWACJDEQIZTPR-CCCRVJQASA-N	204.357	3.961	0	1	BHAF	in-vitro
CCOc1cc(O)cc(/C=C/c2ccccc2)c1	1857629733	UXNJIQXRALPVFK-CMDGGOBGSA-N	240.302	3.961	0	1	BHAF	
CC1=C[C@H](O)C[C@H](C)[C@@]12CCC(=C(C)C)C2	2356285569	XCEXBRKEGXBUJE-AEGPPILISA-N	220.356	3.840	0	1	BHAF	
C[C@H]1[C@H](C)C[C@@H]2[C@H](O)[C@@H]3CC(C)(C)C[C@@H]3[C@@]12C	2356721599	JXTINQFFOKAJPL-RQIPRSKVSA-N	236.399	3.712	0	1	BHAF	
Oc1cccc2cc(Nc3ccccc3)cnc12	61942091	BPJXTVCIZAREGR-UHFFFAOYSA-N	236.274	3.684	0	3	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C=C(CO)CC[C@H]12	13381224	DFIKBBWSGFHYMP-KFWWJZLASA-N	220.356	3.554	0	1	BHAF	biogenic
Cc1ccc([C@@]2(C)CC[C@@H](C(C)C)O2)o1	14723378	OTCYDBRXABTHJM-WCQYABFASA-N	208.301	3.638	0	1	BHAF	biogenic
CC1=C[C@H]2[C@H](C(C)C)[C@@H]3C[C@H](C)[C@@]2(CC1)O3	148472233	DQYKEJCVAMRGAR-YYFQZIEXSA-N	220.356	3.792	0	1	BHAF	
N=C(Sc1ccccc1)c1ccc(O)cc1	1772615788	YBZUSPONLFUFHO-UHFFFAOYSA-N	229.304	3.510	0	1	BHAF	
CC1=CC[C@@]23C[C@H]1C(C)(C)[C@@H]2C(=O)C[C@H]3C	2356444217	ORWURSUFHQIHMR-ZSEWYUTFSA-N	218.340	3.594	0	1	BHAF	
Nc1c2c(nc3cc(Cl)ccc13)[C@H]1CC[C@@H]2C1	27996137	SSQDPTTWVYJYFB-SFYZADRCSA-N	244.725	3.835	0	1	BHAF	
Cc1ccc(C(=O)c2ccc(Cl)cc2)c(O)c1	28760499	GYVFYXJLIDHYMG-UHFFFAOYSA-N	246.693	3.585	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]1CC[C@@](C)(O)[C@@H]1CC[C@@]21C	100781978	CPLGPDHGFNXBOA-ZZVJUGKHSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
C[C@H]1CCC(Nc2ccc(Cl)c3c2CCC3)=N1	143211074	QCNRKVGZPICBID-VIFPVBQESA-N	248.757	3.821	0	1	BHAF	
CN1[C@@]2(C)c3ccccc3[C@@]1(C)[C@@H]1CCCC[C@H]12	299806406	IUXYFUGTQWYCGM-SIXLDLHFSA-N	241.378	3.882	0	1	BHAF	
C[C@@H]1C=C2C=C[C@H](C)[C@@H](CCC(=O)O)[C@@H]2CC1	2356613885	AZUBMNMSJJDMQQ-CDGCEXEKSA-N	234.339	3.646	0	1	BHAF	
CCOC(=O)/C=C/C[C@H](C)CCC=C(C)C	26484881	HJQZEQINYZFGEK-SVTZGKHISA-N	224.344	3.878	0	1	BHAF	
CCC1S[C@@H](CC)O[C@@H](CC)S1	95619998	GQNYEPIOQFSEAZ-JVHMLUBASA-N	206.376	3.691	0	1	BHAF	endogenous,in-man
Nc1ccc(-c2cc3ccc(F)cc3[nH]2)cc1	96908883	CSKDMCNBWIEXQL-UHFFFAOYSA-N	226.254	3.556	0	1	BHAF	
CCOc1cccc(OCCC(C)C)c1	103210316	LGXROOWLLYRLLM-UHFFFAOYSA-N	208.301	3.510	0	1	BHAF	
Cc1cc2c(C(C)C)ccc(C=O)c2cc1O	142025242	NECVQDRSRYKNTM-UHFFFAOYSA-N	228.291	3.790	0	1	BHAF	
CC(C)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1	220202056	XDASWFAXOCDYSC-ZDUSSCGKSA-N	245.370	3.516	0	1	BHAF	
Cc1cccnc1-c1c(C)[nH]c2cc(F)ccc12	587636733	GLYKEMWWKRPVSS-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
Cc1nccc2[nH]c(CC3CCCCCC3)nc12	587960082	FGMPCLPGGRYAME-UHFFFAOYSA-N	243.354	3.779	0	1	BHAF	
C/C=C\c1c(CC)c2n3c1CC[C@@H]3CCC2	39075905	XHXBPJIMQMOKPK-UUSYTGMJSA-N	215.340	3.907	0	1	BHAF	
CC(=O)OCC1=CCCC=C[C@@H]2[C@H](CC1)C2(C)C	2356521131	LGSRJZINARWBIM-CABCVRRESA-N	248.366	3.878	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@H](C(C)(C)O)[C@@H]2CC1	2356800127	PRVRRGSDUZXLHX-KCQAQPDRSA-N	222.372	3.920	0	1	BHAF	
CCOc1cccc2cccc(OCC)c12	14612247	SKYTZUNCKOTOOR-UHFFFAOYSA-N	216.280	3.637	0	1	BHAF	biogenic
CC[C@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1	35090374	CJUVIUZOUUBMJB-KGLIPLIRSA-N	237.774	3.976	0	1	BHAF	in-vivo
CCC(F)(F)Cc1c[nH]c2ccccc12	473151257	ORDHAXQLJUHFMB-UHFFFAOYSA-N	209.239	3.756	0	1	BHAF	
Cc1c(-c2cccc(N)c2)[nH]c2cc(F)ccc12	587634889	AVSYYKQOYODJKT-UHFFFAOYSA-N	240.281	3.865	0	1	BHAF	
CC(C)C(=O)[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	2356563150	RPWJVLNUGNQUMD-JTNHKYCSSA-N	208.345	3.674	0	1	BHAF	
CC(C)CCCCC=CCC=CC(=O)O	2356640160	QMMZSJPSPRTHGB-UHFFFAOYSA-N	210.317	3.790	0	1	BHAF	
CC1=CC[C@H](C2=CCC[C@H](CO)C2)C1(C)C	64624729	WFCYPFZTEOKUDV-GXTWGEPZSA-N	220.356	3.698	0	1	BHAF	in-vitro
CC(C)C1=C[C@H]2[C@@H](CC[C@@]2(C)O)[C@H](C)CC1	238744094	HRXPPINUMQGJCS-UQOMUDLDSA-N	222.372	3.776	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2c(C)cnc(Cl)c2[nH]1	586886017	AVNRUDSFWMLRFE-OQPBUACISA-N	249.745	3.823	0	1	BHAF	
Cc1c2c(nc3ccccc13)-c1c(N)cccc1C2	587211620	UZXLMVIKAPFMNY-UHFFFAOYSA-N	246.313	3.697	0	1	BHAF	
c1ccc(-c2cccc(Cc3c[nH]cn3)c2)cc1	14979040	GSLLVEOVBVOMBQ-UHFFFAOYSA-N	234.302	3.668	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@@]3(C)CC[C@@]12C[C@H]3O	135919442	LKUBLENFVRHTGX-UQOMUDLDSA-N	222.372	3.754	0	1	BHAF	
C/C=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](C)CCC	238738720	TZAIZDJNSHBBJW-NBBVVORTSA-N	210.361	3.942	0	1	BHAF	
C=CC(C)=CC=C[C@@H](O)CCC=C(C)C	2356452094	DOQHWMWPLINRND-AWEZNQCLSA-N	206.329	3.782	0	1	BHAF	
CC1=Nc2ccc(Cl)cc2NC(C)=C1N=O	104012667	OIKQSUPHGUWXHX-UHFFFAOYSA-N	235.674	3.856	0	3	BHAF	
C[C@H]1CCC(Nc2cccc3c2CCCC3)=N1	143039076	FHEBDPNLPXLQBY-NSHDSACASA-N	228.339	3.558	0	1	BHAF	
COc1ccc(-c2noc3ccccc23)cc1	200247138	GJLHFMSVGROZMO-UHFFFAOYSA-N	225.247	3.503	0	3	BHAF	
CC1=C2CC[C@@H](C)[C@@H]2C[C@@H](C(C)(C)O)CC1	6030775	LGOFSGDSFQNIAT-DYEKYZERSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
C[C@@H]1CC[C@@]2(C)[C@H](C)/C(=C/CO)CC[C@@]12C	40980792	RMIRDGFNJKHARM-LAPNCVBBSA-N	222.372	3.778	0	1	BHAF	biogenic,in-vitro
Cc1c(-c2cccnc2)[nH]c2cc(F)ccc12	116649017	XBANEYNLBUWSOA-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
CC(=CCC[C@@H](C)CCO)CCCC(C)(C)O	2356380750	POJZZBGTYFIPQO-CQSZACIVSA-N	242.403	3.673	0	1	BHAF	
CC=CC=CCCC=CC(=O)NC[C@@H](C)CC	2356629624	LWJDBUUOYULAFU-AWEZNQCLSA-N	235.371	3.617	0	1	BHAF	
COc1cc(O)cc2c1C1(CCCCC1)CC2	13328510	WIORXPRHJCKWLT-UHFFFAOYSA-N	232.323	3.549	0	1	BHAF	biogenic
Clc1ccc2c(c1)CC/C2=C\c1cnc[nH]1	13611834	FGJKKMYLQYGVLE-UXBLZVDNSA-N	230.698	3.550	0	1	BHAF	
CCCN1CCC2=C(CCc3ccccc32)C1	26170906	QOZUIXJYJLLMJF-UHFFFAOYSA-N	227.351	3.502	0	1	BHAF	
CCCCN(CC)C/C=C/Cc1ccccc1	103242408	NTKZNQMPWBXEMO-MDZDMXLPSA-N	231.383	3.907	0	1	BHAF	
CC1=CC[C@@H]2[C@H]3C(=C(C)C)C[C@@H](O[C@@H]13)[C@@H]2C	2356428217	BQMNCSAUWHVXSY-VEESAYDSSA-N	218.340	3.712	0	1	BHAF	
CC1=C2C[C@](C)(C(=O)O)C[C@@H]2C[C@H](C)C12CC2	2356611365	UJGMUYZMHUNIBX-NURSFMCSSA-N	234.339	3.624	0	1	BHAF	
NC[C@H]1C[C@@H]1c1cccc(-c2ccc(F)cc2)c1	34893494	RXAUAMMEOYVYRK-GDBMZVCRSA-N	241.309	3.555	0	1	BHAF	
CC1=C[C@@H]2[C@H]3C(=O)[C@@H]1[C@]3(C)CCCC2(C)C	104370707	KKQDNHZABGRCAS-FJJYHAOUSA-N	218.340	3.594	0	1	BHAF	in-man
CC1=CC[C@@]2(C)[C@H](O)[C@H]1[C@@]1(C)CCC[C@]21C	2356624805	PKLUCFDICCLDGA-QRTUWBSPSA-N	220.356	3.530	0	1	BHAF	
CN1CCCC[C@@H]1C1C2CC3CC(C2)CC1C3	3654582	FKVDYJJHHHHRGO-BAPHQMLMSA-N	233.399	3.543	0	1	BHAF	
c1ccc(-c2cc3c(nn2)-c2ccccc2C3)cc1	13743562	RQLLESRRTCUQDH-UHFFFAOYSA-N	244.297	3.715	0	1	BHAF	
CC1=CC[C@]2(C[C@@H]1O)[C@H](C)CC[C@@H]2C(C)C	14413235	WBVRKDUUNZBZET-KBXIAJHMSA-N	222.372	3.776	0	1	BHAF	biogenic
CN(C)CCc1cccc(-c2cccs2)c1	28821765	LMKNFUKXFBEEAT-UHFFFAOYSA-N	231.364	3.519	0	1	BHAF	
Cc1ccc(OC(=O)C(C)C)c(C(C)C)c1	33951364	PASNZDGKKJGHIH-UHFFFAOYSA-N	220.312	3.680	0	1	BHAF	
Cc1cccc(C2=N[C@@H](c3ccccc3)CO2)c1	38791972	OHUQDMYICXLYFL-OAHLLOKOSA-N	237.302	3.513	0	1	BHAF	
c1ccc(-c2cc[nH]c3c4ccccc4nc2-3)nc1	101367498	PQJHPCWUTUUBLC-UHFFFAOYSA-N	245.285	3.730	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@@H](CO)CC[C@@H]12	2356397175	IUKILOCAVNUEAC-XGUBFFRZSA-N	222.372	3.633	0	1	BHAF	
CC1=C2C[C@H]3CC[C@@H](C)[C@@]2(C[C@@H]1O)C3(C)C	2356510770	KVXSGZUUGMQBGN-ZOUAZZMLSA-N	220.356	3.530	0	1	BHAF	
CC1(C)CCC[C@@H]2C(=O)O[C@H](c3ccoc3)C[C@@H]21	14687303	FFADPQLZGWESJY-AVGNSLFASA-N	248.322	3.710	0	1	BHAF	biogenic
NC[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)cc1	27989995	YBVKBRKRBSXLIO-FWFPMQDGSA-N	249.785	3.819	0	1	BHAF	
C/C(=C\c1cc(O)cc(O)c1)c1cccc(F)c1	40913879	WZXLSMRCLDEQJR-BJMVGYQFSA-N	244.265	3.797	0	1	BHAF	
CC1(C)C[C@]2(C)CC[C@@H]3[C@@H]2[C@H]1CC[C@]3(C)O	231210503	SGFQNQLVVVMSEE-MUGBGTHKSA-N	222.372	3.610	0	1	BHAF	
CC1=C[C@H]2OC(=O)[C@@H](C)[C@@H]2CCC(C)=CCC1	299808524	OVDMFKGCVWVONO-MELADBBJSA-N	234.339	3.631	0	1	BHAF	
Oc1ccc2nc(/C=C/c3ccsc3)[nH]c2c1	587026867	ZSNKVRRCCZIDLT-DAFODLJHSA-N	242.303	3.500	0	1	BHAF	
CC1(C)CCc2c1nc1cccc3c1c2CC3	587213581	KQXSTRAHSBBHQT-UHFFFAOYSA-N	223.319	3.557	0	1	BHAF	
Cc1cccc(C2=Cc3c(C)cc(C)n3C2=O)c1	653732480	BWOWFFOMTCUGCJ-UHFFFAOYSA-N	237.302	3.608	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@H]2[C@@H]1C[C@H](C)C[C@H]2O	2356559391	INZGXHKIXAEGJY-ADNNSEGNSA-N	222.372	3.776	0	1	BHAF	
CC(C)COC1Sc2ccccc2S1	1617254	RIFYIHGDUGGDSN-UHFFFAOYSA-N	226.366	3.841	0	1	BHAF	
Cc1c(-c2ccc(O)cc2)[nH]c2cc(O)ccc12	29226007	SNQMGZUEZQHEDB-UHFFFAOYSA-N	239.274	3.555	0	1	BHAF	
CC1=CC[C@H]2[C@@H]3C(=C(C)C)C[C@@H](O[C@H]13)[C@@H]2C	238742058	BQMNCSAUWHVXSY-OKNSCYNVSA-N	218.340	3.712	0	1	BHAF	
Oc1ccc(-c2cc(-c3ccccc3)on2)cc1	299838745	NPBXJZXASLEMJN-UHFFFAOYSA-N	237.258	3.714	0	1	BHAF	
CCCC/C=C\c1nc2ccccc2[nH]1	587965282	JCTAFUFSWVYBKH-YHYXMXQVSA-N	200.285	3.766	0	1	BHAF	
Cc1ccc(C(C)C)c2cc(C(=O)O)c(O)cc12	14445072	YJOUZCLVEDBCAO-UHFFFAOYSA-N	244.290	3.675	0	1	BHAF	biogenic
CCN[C@H](CC)Cc1ccc(SCC)cc1	48998238	FXAXBZLCZVSQJT-CYBMUJFWSA-N	237.412	3.729	0	1	BHAF	in-vivo
COc1ccc(C(C)=O)c2c1C(C)(C)CCC2	103182013	RORYRFHFOOCDJX-UHFFFAOYSA-N	232.323	3.512	0	1	BHAF	
CC(=Cc1ccc(O)cc1)c1ccc(O)cc1	2356477170	PMNXCGMIMVLCRP-UHFFFAOYSA-N	226.275	3.658	0	1	BHAF	
CC1(C)CC=C[C@]2(C)C[C@@H](CO)C(C)(C)[C@@H]12	2356668144	FZQSFFXBKWKOFG-YWPYICTPSA-N	222.372	3.633	0	1	BHAF	
CC(C)=C[C@@H](O)C[C@@H](C)c1ccc(C)cc1	13377433	NRBFEAZFHRHFFQ-UKRRQHHQSA-N	218.340	3.816	0	1	BHAF	endogenous,in-man
CC(=O)CC[C@H]1C[C@]2(CCC=C2C)OC1(C)C	14721235	WIQUMZFHDBZVSM-ZFWWWQNUSA-N	236.355	3.650	0	1	BHAF	biogenic,in-vitro
Cc1cc2c(C(C)C)ccc(C)c2oc1=O	34986034	FWQVSIMNEDPTRV-UHFFFAOYSA-N	216.280	3.533	0	1	BHAF	
CC[C@H]1CCC[C@@](C)(CO)[C@H]2C=C[C@H](C)[C@@H]12	49803645	HHMZGTLMFPVSNL-YTFOTSKYSA-N	222.372	3.633	0	1	BHAF	
CC(C)=CCC[C@@H](C)[C@]12CC[C@@](C)(O)[C@@H]1C2	104366589	IRDFGGRWKUKANK-LXTVHRRPSA-N	222.372	3.920	0	1	BHAF	in-man
c1ccc(Nc2ccccc2-c2ncccn2)cc1	118861196	BZHBFDKOANIUHF-UHFFFAOYSA-N	247.301	3.887	0	1	BHAF	
CCCC/C=C/c1nc2cc(Cl)cnc2[nH]1	587966469	USDFZAJYWFEOSM-AATRIKPKSA-N	235.718	3.815	0	1	BHAF	
CC1=CC=C[CH]N1Cc1cc(C)cc(C)c1	2356804455	NQZBSNYKZWJDRZ-UHFFFAOYSA-N	212.316	3.741	0	1	BHAF	
CC1=CC(C)=CN(Cc2ccc(F)cc2)[CH]1	2356815220	HNARWAAQHJKBDC-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CC[C@H](C)CC[C@@H]1C=C[C@H]2CCC(=O)O[C@H]2C1	2356833065	JXWFJNFXUQSKCJ-CRWXNKLISA-N	236.355	3.711	0	1	BHAF	
CC1=CC[C@@H](c2coc(CC(C)C)c2)C[C@H]1O	13377000	SNMIMWYZCXBQQW-IUODEOHRSA-N	234.339	3.663	0	1	BHAF	biogenic
CN[C@]12CC=CC[C@H]1CC(C)(C)c1ccccc12	13832004	KYQRJGRWEFBIRO-SUMWQHHRSA-N	241.378	3.749	0	1	BHAF	
C=C[C@@H]1O[C@H](C)[C@H]2C[C@@H](C(C)C)CC2=C1C	14439925	BQYBPRDNNXMGLD-OSRDXIQISA-N	220.356	3.958	0	1	BHAF	biogenic
CC1=CC[C@]2(C)CC[C@@](O)(C(C)C)[C@H]2CC1	14957313	HTJLBKLQZZOCAC-RRFJBIMHSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
C[C@@H](c1ccc(Cl)cc1)[C@H]1CCCCN1	35090368	BMRJUXFHOOHDBF-GXFFZTMASA-N	223.747	3.586	0	1	BHAF	in-vivo
CC(C)=CCCC(C)=C[C@@H](O)Cc1ccco1	2356302994	IZWCKOPZRHOIBL-CQSZACIVSA-N	234.339	3.876	0	1	BHAF	
CC1=C[C@]23OC(=O)[C@H](C)[C@@H]2CC[C@H](C)[C@@]3(C)CC1	2356710486	GLENKKGPJNCTCZ-ABNPOPBRSA-N	248.366	3.711	0	1	BHAF	
CC[C@H](C)CCCCCCCCC[C@@H](O)CO	2356735821	STLQPQBVJGUVMY-LSDHHAIUSA-N	244.419	3.897	0	1	BHAF	
CN(C)C[C@@H]1C2CCC(CC2)[C@@H]1c1ccccc1	5764857	XQGAMWDOCIXVRB-BNICSPFPSA-N	243.394	3.768	0	1	BHAF	
C[C@H]1CCC[C@]2(C)CC=C(C(C)(C)O)C=C12	15207166	SCFWEZZRBBRNAV-XHDPSFHLSA-N	220.356	3.840	0	1	BHAF	biogenic
Fc1ccc2c(/C=C/c3ccccn3)c[nH]c2c1	72105931	AEGKYHXHADEAML-GQCTYLIASA-N	238.265	3.872	0	1	BHAF	
CC(C)[C@@H]1CCc2coc3cc(C(=O)O)cc1c23	2356323703	FHHBRHPDGKEYIF-NSHDSACASA-N	244.290	3.817	0	1	BHAF	
COc1cc(/C=C/c2cccs2)cc(C)c1O	10994	LZASACMXFSMSKN-AATRIKPKSA-N	246.331	3.941	0	1	BHAF	
Cc1ccc2c(c1)-c1cc(O)ccc1OC2(C)C	14724901	AXYGIQAHRDDHJD-UHFFFAOYSA-N	240.302	3.995	0	1	BHAF	biogenic
CCCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1	27095797	QXWDAKBZLIENSO-CYBMUJFWSA-N	248.366	3.942	0	1	BHAF	
Cc1cc(O)c(C(C)C)c2c1CC[C@H](C)C2=O	205248238	OOONMFDDROOGTL-VIFPVBQESA-N	232.323	3.589	0	1	BHAF	
CC1=C2C(C)(C)[C@@H](CO)C[C@]2(C)CC[C@H]1C	238751030	CUFZOTYNOCYVBK-HCKVZZMMSA-N	222.372	3.778	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(F)c(C)c2[nH]1	586886837	DLHCXAKWSIDKPO-XPTSAGLGSA-N	232.302	3.914	0	1	BHAF	
CCOc1cc(-c2cccc(F)c2)nn1C(C)C	587872510	ZFQCLFDCXMTYNE-UHFFFAOYSA-N	248.301	3.669	0	1	BHAF	
CN[C@]1(C(C)C)CC2[C@@]3(C)CC[C@@]2(C)CC1C3	2356823702	GNXHLXGNNKYMQQ-XJCPWDRGSA-N	235.415	3.837	0	1	BHAF	
CC1(C)CCC[C@]2(C)CCC(=O)[C@H]3C[C@@]312	14587510	OZVBAFBRWKCCHV-LERXQTSPSA-N	206.329	3.572	0	1	BHAF	biogenic
O=C(O)[C@@H](F)c1ccc(-c2ccccc2)c(F)c1	71315808	CWJJSDHDMHDMQL-ZDUSSCGKSA-N	248.228	3.588	0	1	BHAF	
CC1=CNC=N[C@H]1c1sc2ccccc2c1C	205578612	TWRVYMXYRKCEOA-CYBMUJFWSA-N	242.347	3.786	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@@H]13	257530909	RHEDCGAFLFEFKC-YLXLXVFQSA-N	220.356	3.674	0	1	BHAF	biogenic
Fc1cc(F)c2[nH]c3ccccc3c2c1F	653716295	RUOVDDNAQSQHCR-UHFFFAOYSA-N	221.181	3.738	0	1	BHAF	
Cc1ccc(-c2ccc3oc(=O)ccc3c2)s1	1772611581	HJCFEOGFVGBOHS-UHFFFAOYSA-N	242.299	3.830	0	1	BHAF	
C[C@@H]1CCC[C@H]2CCC(C(C)(C)O)=C[C@]21C	2356404804	XEXRDVPNNGVFNR-XUJVJEKNSA-N	222.372	3.920	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@@H](C)CC[C@]12O	2356535959	MFNUNCDPCGAKMB-ATGSNQNLSA-N	222.372	3.776	0	1	BHAF	
CCC1=CN(Cc2ccccc2C)[CH]C=C1	2356849471	KLTNQFLDPRXVPT-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CC(C)=CCc1cc(O)c2ccccc2c1O	17749611	RCAWOWBPYYYZPZ-UHFFFAOYSA-N	228.291	3.760	0	1	BHAF	in-vitro
O=C(O)Cc1csc2ccc3ccccc3c12	58638452	SGZIYCCHNHOYKN-UHFFFAOYSA-N	242.299	3.682	0	1	BHAF	in-vitro
CC1(C)C[C@]2(O)[C@@]3(C)CCC[C@]2(C)[C@H]1CC3	100783438	QOXUIQMPPDIDGM-MHEUCROKSA-N	222.372	3.754	0	1	BHAF	endogenous,in-man
CCCC/C=C\c1nc2cccc(OC)c2[nH]1	587966580	WOFIXHZSTHRICO-POHAHGRESA-N	230.311	3.775	0	1	BHAF	
CC1=C(C)[C@H]2C(C)(C)[C@H](CO)C[C@]2(C)CC1	2356659616	LFLBXCLVRYZDOG-YDHLFZDLSA-N	222.372	3.778	0	1	BHAF	
CC1=C2CCC(CO)=C[C@@H]2[C@H](C(C)C)CC1	13381146	PSCGCYQLAZATGE-DZGCQCFKSA-N	220.356	3.698	0	1	BHAF	biogenic
CCCN1CCC[C@@H](c2cc(C)ccc2C)C1	13782153	SSDVDUAQCIGPNR-OAHLLOKOSA-N	231.383	3.893	0	1	BHAF	in-vivo
CC[C@@H](c1ccc(Cl)cc1)[C@@H]1CCCCN1	35090372	CJUVIUZOUUBMJB-KBPBESRZSA-N	237.774	3.976	0	1	BHAF	in-vivo
CC1=CC[C@H]2C[C@@]3(OC2(C)C)C(C)=CC[C@@H]13	95911806	KVJMJCYPKZHEPD-KCQAQPDRSA-N	218.340	3.857	0	1	BHAF	biogenic,in-vitro
CC1=C[C@]2(C(C)C)CC[C@@H](C)[C@H](CC1)[C@H]2O	238747795	XHZXSPWRJOSMJL-BARDWOONSA-N	222.372	3.776	0	1	BHAF	
CC(C)=CCC/C(C)=C/CSc1ncn[nH]1	29126266	KELSBPZNTYZABI-YRNVUSSQSA-N	237.372	3.590	0	1	BHAF	
COC(=O)CCC=C(C)CC[C@@H]1CC1(C)C	2356807765	YCTZFIJUSFYQSL-GFCCVEGCSA-N	224.344	3.712	0	1	BHAF	
CC1=CC[C@@]2(C)CC[C@](O)(C(C)C)[C@@H]2CC1	13432656	HTJLBKLQZZOCAC-ILXRZTDVSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CCCN1CCC[C@H](c2cc(C)ccc2C)C1	13782154	SSDVDUAQCIGPNR-HNNXBMFYSA-N	231.383	3.893	0	1	BHAF	in-vivo
CN[C@]12CC=CC[C@H]1C[C@H](C)c1ccccc12	13831985	DYWTYZQHULDNCR-HEHGZKQESA-N	227.351	3.575	0	1	BHAF	
c1ccc(-c2c[nH]c3c4ccccc4nc-3c2)nc1	101387856	AGBVCIIPBONUFX-UHFFFAOYSA-N	245.285	3.730	0	1	BHAF	
Cc1nc(Nc2ccccc2)nc2ccccc12	299822150	HHKAFPRLWUBYDJ-UHFFFAOYSA-N	235.290	3.682	0	1	BHAF	
CC(C)[C@@]1(O)CC[C@@]2(C)CC=C[C@@H](C)[C@H]2C1	2356347900	QTYOCPHBJLCFIG-KBUPBQIOSA-N	222.372	3.776	0	1	BHAF	
CCCC=C[C@]1(CC)C[C@H](CC)[C@@](C)(O)O1	2356694297	YUFOLFJAYLDZGK-MELADBBJSA-N	226.360	3.647	0	1	BHAF	
C[C]1C=C(C)C=CN1Cc1ccccc1F	2356855641	JVMDSTBEOFZLMZ-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
COc1cccc(/C=C/c2ccccc2OC)c1	90161456	GJFBVXFBGLKAES-ZHACJKMWSA-N	240.302	3.874	0	1	BHAF	
CC1=CC[C@H](C(C)C)c2cc(C(=O)O)ccc21	653803690	PPRHYTMHLZIIKU-GFCCVEGCSA-N	230.307	3.931	0	1	BHAF	
CN1[C@H](c2ccccc2)CC[C@H]1c1cccnc1	13738872	SXNWJPFRPOBTBC-HOTGVXAUSA-N	238.334	3.590	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1	13755472	KXRUBJYBRZXATJ-HUUCEWRRSA-N	217.356	3.665	0	1	BHAF	
CC1=CCC[C@H](C)[C@@]12CC[C@](O)(C(C)C)C2	14714067	PDFMGMLJJHVTMM-RRFJBIMHSA-N	222.372	3.920	0	1	BHAF	biogenic
C[C@@H]1CC=C2[C@H](C)CC[C@@H](c3ccoc3)N2C1	14962681	WIEVDGMEBFVRDD-JMSVASOKSA-N	231.339	3.976	0	1	BHAF	biogenic
CN[C@]12CC=CC[C@@H]1CC(C)(C)c1ccccc12	29571965	KYQRJGRWEFBIRO-CXAGYDPISA-N	241.378	3.749	0	1	BHAF	
Cc1cc2c3c(cc(C)c2o1)[C@H](C)CC(=O)N3C	42920441	QZVCVOHPEQARCW-MRVPVSSYSA-N	243.306	3.520	0	1	BHAF	
Cc1ccccc1-c1ccc2[nH]ncc2c1	169329414	KXZXNLHJKUDAQF-UHFFFAOYSA-N	208.264	3.538	0	1	BHAF	
CC(C)=CCC/C=C(/C)COC(=O)C(C)C	238771451	NBSFKQVYDGDCOA-LCYFTJDESA-N	224.344	3.878	0	1	BHAF	
CCCCn1cc(CN(C)C)c2ccccc21	1857771750	FLSKDCMIVHPTQS-UHFFFAOYSA-N	230.355	3.503	0	1	BHAF	
CCCC(=O)O[C@H](C)[C@H](C)[C@@H](C)CCC	2356442586	IYALVKCBXNBPSJ-QJPTWQEYSA-N	214.349	3.791	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@H](C)[C@@]2(O)CC1	12153513	COGPRPSWSKLKTF-AJNGGQMLSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
C[C@@H]1CCC[C@@]2(C)CC[C@@H](C(C)(C)NC=O)C=C12	15217388	XJNGSVNNIXUPGR-IOASZLSFSA-N	249.398	3.674	0	1	BHAF	biogenic
Cc1ccc(-c2cc3occ(C)c3c(=O)o2)cc1	45358815	XGGLNIIXFDOOIE-UHFFFAOYSA-N	240.258	3.670	0	1	BHAF	
CCSCCc1c[nH]c2ccc(F)cc12	95605871	GZSYPKDFDMPOMR-UHFFFAOYSA-N	223.316	3.603	0	1	BHAF	
C/C=C(C)\C=C(/C)c1oc(OC)c(C)c(=O)c1C	140625576	IDTMJMBDTGUTDU-FKJILZIQSA-N	248.322	3.635	0	1	BHAF	
Cc1ccc2c(c1C)Cc1ccoc1CC2	238759518	DQWASVUCLLCUCA-UHFFFAOYSA-N	212.292	3.586	0	1	BHAF	
COCc1nc2cccc3c2c(c1C(C)C)CC3	587212215	QNTCLXKBAMNPHV-UHFFFAOYSA-N	241.334	3.603	0	1	BHAF	
c1cc2c3c(cc(C4CCCC4)nc3c1)CC2	587214821	ZOBUXPADUPOFMM-UHFFFAOYSA-N	223.319	3.991	0	1	BHAF	
CCC(=O)c1coc2ccc(Cl)cc12	587277011	ZDPJUSDHLHOSLS-UHFFFAOYSA-N	208.644	3.679	0	1	BHAF	
CC1(C)CCCC2=C[C@@H](CO)C(C)(C)[C@]21C	2356495850	HPLQGFVYWQGCAW-SWLSCSKDSA-N	222.372	3.778	0	1	BHAF	
C[C@@H]1C[C@H]2[C@@]1(C)CCC1=CCC[C@@]2(O)CC1	2356579509	AQWYRDGVUURYEI-UQOMUDLDSA-N	220.356	3.674	0	1	BHAF	
CC1=C[C@@H]2[C@@H](C(C)C)CC[C@H](C)[C@@]2(O)CC1	13381725	COGPRPSWSKLKTF-YJNKXOJESA-N	222.372	3.776	0	1	BHAF	biogenic,in-man
c1ccc2c(c1)CC[C@@H]1[C@H](c3ccncc3)[C@H]21	13741585	KNIGVLQBCXKAGG-OWCLPIDISA-N	221.303	3.525	0	1	BHAF	
CC1(C)CCC[C@H]1[C@]1(C)C=C[C@@](C)(O)CC1	14407123	BQLFIUATYJZEOZ-BPLDGKMQSA-N	222.372	3.920	0	1	BHAF	
CC(=O)CC[C@H]1[C@@H]2C=C(C(C)C)CC[C@]12C	14677626	WNNZYYHCIGZOMR-SOUVJXGZSA-N	220.356	3.984	0	1	BHAF	
CC[C@@H]1CCC[C@](C)(CO)[C@@H]2C=C[C@H](C)[C@H]21	2356491319	HHMZGTLMFPVSNL-VYDRJRHOSA-N	222.372	3.633	0	1	BHAF	
CC1=CN(Cc2cc(C)cc(C)c2)[CH]C=C1	2356813659	XTTWPXLZOUPSEC-UHFFFAOYSA-N	212.316	3.741	0	1	BHAF	
CCCN1CCC[C@H](c2ccc(C)cc2C)C1	13782152	XMWBOCKXCDCQOT-HNNXBMFYSA-N	231.383	3.893	0	1	BHAF	in-vivo
CC(C)=C1CC2=C(C)CCC[C@]2(C)C[C@@H]1O	15206899	RCQMVGPZIQPQEA-LSDHHAIUSA-N	220.356	3.984	0	1	BHAF	biogenic
C[C@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)N32	100649387	CJSJQKUMMPPBMD-KKSQLVLISA-N	233.314	3.570	0	1	BHAF	
CC1=CC[C@@]2(O)[C@@H](C1)C(=C(C)C)CC[C@H]2C	13381158	VXQLDLRZLVFYFR-SNPRPXQTSA-N	220.356	3.840	0	1	BHAF	biogenic
CCCC[C@@]1(c2ccc3[nH]ccc3c2)CCNC1	40873975	FIIZGBLPZZYXCS-MRXNPFEDSA-N	242.366	3.589	0	1	BHAF	investigational
CCCC[C@@H]1OC(=O)c2ccc(Cl)cc21	49051278	VCALNYWELQHEHL-NSHDSACASA-N	224.687	3.742	0	1	BHAF	
Cc1c(C(=O)O)sc2c(C3CC3)csc12	84706539	QQIFSDPSOLEYPN-UHFFFAOYSA-N	238.333	3.847	0	1	BHAF	
C1=C[C@@]2(CCCCO2)OC1=Cc1cccs1	2356471583	RXMTVKWPXJEZLL-CYBMUJFWSA-N	234.320	3.572	0	1	BHAF	
Cc1cc2c(cc1O)[C@@H](C)C(=O)C[C@@H]2C(C)C	13381474	QPXQUILITXIQFA-GHMZBOCLSA-N	232.323	3.517	0	1	BHAF	endogenous,in-man
C=C(C(=O)O)C1=C2C=C(C)CC[C@H]2[C@@H](C)CC1	13381536	TYEINKOPUFHKES-JQWIXIFHSA-N	232.323	3.710	0	1	BHAF	biogenic
CN[C@H]1C[C@H](c2ccc(F)cc2)c2ccccc21	29484382	JVGDVUQOPGOQIW-CVEARBPZSA-N	241.309	3.622	0	1	BHAF	
CCCCN(CC)Cc1coc(-c2ccco2)n1	72184878	IDTXKJLDFWOCRA-UHFFFAOYSA-N	248.326	3.557	0	1	BHAF	
CC1=CC[C@H]2C[C@@H]1[C@]2(C)CC/C=C(\C)CO	85488719	JGINTSAQGRHGMG-MCKJQBSKSA-N	220.356	3.698	0	1	BHAF	biogenic,in-vitro
Cc1sc2ccccc2c1[C@@H]1C=CN=CN1C	218959767	KNTGMWFWVKRZOL-LBPRGKRZSA-N	242.347	3.738	0	1	BHAF	
C[C]1C=CN(Cc2cccc(F)c2)C=C1C	2356845730	JPBHIKBDDRCBIJ-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CC(C)CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	1527	MPYYVGIJHREDBO-XUJVJEKNSA-N	238.371	3.791	0	1	BHAF	in-vitro
CC1=C2CC(C)(C)C[C@@H]2Cc2coc(C(=O)O)c21	15166916	PTPNJDWWPAJMFA-VIFPVBQESA-N	246.306	3.744	0	1	BHAF	biogenic
C=C(C)[C@@H]1CC(=O)[C@@H]2C=CC[C@@H](C)[C@]2(C)C1	15200740	CSROQEWHHKSXKD-CXTNEJHOSA-N	218.340	3.760	0	1	BHAF	biogenic
Cc1cc(C)cc(N2CCc3cc(N)ccc32)c1	40762801	SNRUQDWPNCOVOG-UHFFFAOYSA-N	238.334	3.580	0	1	BHAF	
Clc1ccc([C@@H]2NN=C3CCCC[C@@H]32)cc1	42988614	WMORHWXOUHZOQJ-AAEUAGOBSA-N	234.730	3.531	0	1	BHAF	
c1ccc2c(c1)[C@H]1CC[C@@]2(N2CCCCC2)C1	100802432	ADYWIWWZHCTASJ-XJKSGUPXSA-N	227.351	3.649	0	1	BHAF	
CO/C(O)=C1\Sc2cc(C)ccc2N=C1C	101632470	KWMCYWDRIYQRSU-QXMHVHEDSA-N	235.308	3.567	0	1	BHAF	aggregator
c1csc(-c2ccc(-c3cncnc3)s2)c1	206149904	ZQYHJVIMAOMRKH-UHFFFAOYSA-N	244.344	3.934	0	1	BHAF	
CC1=C[C@@H]2[C@H]3[C@H](C)CO[C@H]3C[C@H](C)[C@H]2CC1	238775431	NUYYXEHOADNXBM-VRPMWHRCSA-N	220.356	3.650	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(Cl)ncc2[nH]1	586889702	MNJUFOOEYSHECP-JMCQJSRRSA-N	235.718	3.515	0	1	BHAF	
CC(C)C1=CC[C@]2(C)CCC[C@](C)(NC=O)[C@H]2C1	2356745238	MZUROKYUYZHWMA-JYJNAYRXSA-N	249.398	3.674	0	1	BHAF	
CC(=O)O[C@@H]1C[C@@H]2C=CC[C@H](C(C)C)[C@@H]2C=C1C	2356799496	UNERXIBGMVIOQL-ZJIFWQFVSA-N	248.366	3.733	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@@H](CCO)[C@H]3CC[C@@H]2[C@H]31	28645583	ZZRJRBHQEYRVDV-YMSVYLFOSA-N	236.399	3.857	0	1	BHAF	
C/C(=C\CC(C)(C)/C=C/Cc1ccoc1)C(=O)O	31160760	MAGTVPLDJXYNTN-QJQVOESFSA-N	248.322	3.826	0	1	BHAF	
Fc1ccc2c(c1)Cc1c-2[nH]c2ccccc12	45350349	JWTKADSGXREMMQ-UHFFFAOYSA-N	223.250	3.878	0	1	BHAF	
CCc1sc(Nc2ccc(OC)cc2)nc1C	84619989	UHPXZZAYSWOFDP-UHFFFAOYSA-N	248.351	3.766	0	1	BHAF	
C1=C[C@@]2(CCCCO2)O/C1=C/c1cccs1	225486452	RXMTVKWPXJEZLL-OCHBPSSRSA-N	234.320	3.572	0	1	BHAF	
C[C@@H]1CCC2=C[C@H](CO)C(C)(C)[C@@]2(C)[C@@H]1C	238735877	FHNGRPUUPUOBAK-CVMIBZJCSA-N	222.372	3.633	0	1	BHAF	
C[C@H](C(=O)O)c1ccc(-c2ccccc2)cc1F	2556392	ICKWGFYFODTQTL-JTQLQIEISA-N	244.265	3.681	0	1	BHAF	
CC1=CC[C@@H]([C@@]2(C)CCC(=O)C(C)(C)O2)CC1	5767274	MJWZYBQLHJQQJJ-IUODEOHRSA-N	236.355	3.650	0	1	BHAF	biogenic
C1=CN(c2ccccc2)Cc2ccccc21	33833287	SCXBFXGVOQYURB-UHFFFAOYSA-N	207.276	3.678	0	1	BHAF	biogenic,in-vitro
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2[C@H](C)C(=O)O	33836175	JYGAZEJXUVDYHI-QMVSFRDZSA-N	236.355	3.726	0	1	BHAF	biogenic,in-vitro
CC1=C(C)[C@H]2C(C)(C)[C@@H](CO)C[C@]2(C)CC1	238742344	LFLBXCLVRYZDOG-IPYPFGDCSA-N	222.372	3.778	0	1	BHAF	
N[C@H]1CCc2c(-c3ccccc3)[nH]c3cccc1c23	13911625	ZBMKGCGCHYGZOH-AWEZNQCLSA-N	248.329	3.781	0	1	BHAF	
c1cncc(-c2ccc(-c3cccnc3)s2)c1	28816766	ATVGXHNAIIEDGA-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
CC[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1	43015108	FUDQLRPZZUAHBX-CYBMUJFWSA-N	242.318	3.834	0	1	BHAF	
Cc1[nH]c2c(C)cc(Cl)cc2c1N(C)C	587624885	WEMOSLGTVURCRG-UHFFFAOYSA-N	222.719	3.504	0	1	BHAF	
CCc1c(-c2cccnc2)[nH]c2cccc(F)c12	587636826	KKUPTUGGRYFXTB-UHFFFAOYSA-N	240.281	3.931	0	1	BHAF	
COC1=CC[C@H]2[C@@]3(C)CC[C@@]2(C(C)C)[C@H]1C3	2356377757	LAWCUDPISVDSHL-CYUUQNCZSA-N	220.356	3.999	0	1	BHAF	
CC1=CN(Cc2cccc(Cl)c2)[CH]C=C1	2356875708	AWKKNRGSLRFEMC-UHFFFAOYSA-N	218.707	3.777	0	1	BHAF	
C1=C(c2ccccc2Cc2ccccc2)CCNC1	39244730	KQOOIOMOHDWOOP-UHFFFAOYSA-N	249.357	3.654	0	1	BHAF	
Clc1ccc2nc(-c3cccnc3)ccc2c1	95580122	TXPCCOKHGMUTJZ-UHFFFAOYSA-N	240.693	3.950	0	1	BHAF	
CC[C@H](C)C(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C	103822368	CEVCMCWHMHJEQS-OHTBPHCPSA-N	238.371	3.791	0	1	BHAF	in-man
C[C@@]12N[C@H](C[C@H]3CCCC[C@@H]31)[C@H]1CCCC[C@H]12	169289877	FHRWBXVLMJUUQU-HIFUNWJGSA-N	233.399	3.733	0	1	BHAF	
CCCN1CCC[C@H]2C[C@H]1c1ccccc12	253644179	HCZMILOQFKMCJC-WFASDCNBSA-N	215.340	3.721	0	1	BHAF	
CCCCNC(=O)[C@@]12CCC[C@H]3C[C@@H](CC[C@H]31)C2	299849650	PWXGWYKJKXVGSZ-HLPPOEQASA-N	249.398	3.509	0	1	BHAF	
CC1(C)C[C@H]1c1cc2c3c(cccc3n1)CC2	587212505	BIHQUWQLFWFFEW-LBPRGKRZSA-N	223.319	3.847	0	1	BHAF	
CCCC/C=C/c1nc2cccc(F)c2[nH]1	587965452	MITLSLSFIHUQSR-WEVVVXLNSA-N	218.275	3.905	0	1	BHAF	
C[C@@H]1CC[C@H]2C[C@H]3[C@@H]1[C@H](C)CC[C@]3(O)C2(C)C	2356365191	HKGFZBDJALFJBU-IITUXSPASA-N	236.399	3.856	0	1	BHAF	
CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@H](C)C[C@H]12	2356501653	IZVJDVQPCGYZOX-MYPMTAMASA-N	222.372	3.920	0	1	BHAF	
CC=Cc1ccc(OC(=O)C(C)=CC)cc1	2356647695	UCQRFKUYPJOHMR-UHFFFAOYSA-N	216.280	3.591	0	1	BHAF	
CC1=C[C@]2(C(=O)C(C)C)CC[C@H](C)[C@@H]2CC1	14516910	NUTDFMLLZCEHML-KCQAQPDRSA-N	220.356	3.984	0	1	BHAF	biogenic
CC(C)=C[C@@H](O)C/C(C)=C/CCc1ccoc1	223469306	MVZKYMKFORAEQU-DTHCKZEYSA-N	234.339	3.876	0	1	BHAF	
COc1ccc([C@H](C)CCN2CCCCC2)cc1	1772600572	ZOOXVBRSWKQPDT-CQSZACIVSA-N	247.382	3.675	0	1	BHAF	
CC1=CCC(C)(C)C=CC(=O)NC(C)=CCC1	1857743403	YMIPTTDIJCZDAB-UHFFFAOYSA-N	233.355	3.719	0	1	BHAF	
CC(C)[C@@H]1CC[C@H](C)c2c(O)cc(CO)cc21	2356438289	ZCURUYBTMVDZFO-JQWIXIFHSA-N	234.339	3.521	0	1	BHAF	
CC(C)=CC=C[C@@H](C)C1CCC(C)(NC=O)CC1	2356551184	UADNYTNHILKNEO-QQFBHYJXSA-N	249.398	3.840	0	1	BHAF	
CC(C)C1=C[C@]2(NC=O)[C@H](C)CCC[C@@]2(C)CC1	2356796876	NOPZWTVBAVQKHG-KBMXLJTQSA-N	249.398	3.674	0	1	BHAF	
CC1=C2CC[C@@](C)(O)[C@H]2[C@@H]2[C@@H](CC1)C2(C)C	100778058	FPRYGNYXOFHMLF-GUIRCDHDSA-N	220.356	3.530	0	1	BHAF	endogenous,in-man
Cc1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2c1C	586917933	YIZCCUCVMVUACQ-ZANVPECISA-N	244.338	3.667	0	1	BHAF	
CCCCCC=CC=CC(=O)OCCC	2356586253	RKDOXCGYGLYOBV-UHFFFAOYSA-N	210.317	3.632	0	1	BHAF	
Cc1c(O)cc(C=Cc2ccccc2)cc1O	2356775514	OCNRSGCLTQHHRD-UHFFFAOYSA-N	226.275	3.577	0	1	BHAF	
CC(C)=CCC[C@H](C)CCn1ccnc1	103194671	KFJOCXYLQAGIBJ-ZDUSSCGKSA-N	206.333	3.656	0	1	BHAF	
CC1=C[C@H]2C(=C(C)C)C[C@@H](O)[C@H](C)[C@H]2CC1	231222651	VYRPEQZTLXTRND-QHSBEEBCSA-N	220.356	3.696	0	1	BHAF	
c1ccc(-c2nc3c4ccccc4ccn3n2)cc1	6116817	HXAVJPUGRHYHRD-UHFFFAOYSA-N	245.285	3.550	0	1	BHAF	
C[C@H]1N[C@H](C2CC2)C[C@@H]1c1ccc(Cl)cc1	31519744	PZJBWSQQDMRZHY-IIMNLJJBSA-N	235.758	3.584	0	1	BHAF	in-man
COc1ccc2cc(C[C@H](C)C(C)=O)ccc2c1	169333127	QDMDJZDSBXQKRZ-NSHDSACASA-N	242.318	3.616	0	1	BHAF	
CC1(C)CCC[C@@]2(C)C=C[C@](C)(O)[C@@H]3C[C@@]312	2356678472	IGXJBCISDKDDOU-CYUUQNCZSA-N	220.356	3.530	0	1	BHAF	
CC1=CC[C@]2(O)[C@@H](C)CCC(=C(C)C)[C@H]2C1	13381157	VXQLDLRZLVFYFR-CFVMTHIKSA-N	220.356	3.840	0	1	BHAF	biogenic
C[C@@H]1CC[C@@H]2[C@H](C)CC[C@H]([C@@H](C)CO)[C@@H]2C1	13381360	KGIBMKUEWBYMCC-QAUDVVSPSA-N	224.388	3.713	0	1	BHAF	biogenic
Cc1ccc(-c2cnc3ccccc3n2)s1	26273885	YZFFGZARJYJAMF-UHFFFAOYSA-N	226.304	3.667	0	1	BHAF	
C/C(=C\c1ccc(Cl)cc1)[C@H](C)N=O	169722628	KKWDVPSRWHSHCQ-FLOXNTQESA-N	209.676	3.898	0	1	BHAF	
CC1=C2C[C@H]3CC[C@H](C)[C@@]2(C[C@H]1O)C3(C)C	2356510768	KVXSGZUUGMQBGN-AGNJHWRGSA-N	220.356	3.530	0	1	BHAF	
C[C@@H]1CCC(=CC(C)(C)O)[C@H]2[C@H]1CC[C@H]2C	2356526726	IYMKPZYUEJPWPC-RFHZTLPTSA-N	222.372	3.776	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C(=O)O)CC[C@@]2(C)C1	2356799692	UTAPFIDKLZCUOR-HKCMKHECSA-N	236.355	3.704	0	1	BHAF	
Cc1nc(-c2ccccc2)c2ccccc2n1	2541131	HTGDGYIDLFBJOP-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	
COc1ccc2c(c1)C=CC1(CCCCC1)N2	28009292	IPFFMYNNQBONIX-UHFFFAOYSA-N	229.323	3.837	0	1	BHAF	
C/C=C/C=C\C=C/CC/C=C/C(=O)NCC(C)C	238789788	SBXYHCVXUCYYJT-QCJPBIKRSA-N	247.382	3.784	0	1	BHAF	
Cc1[nH]c2c(C)cc(Cl)cc2c1-n1cccn1	587627380	UDQKFJZOGVAYSD-UHFFFAOYSA-N	245.713	3.624	0	1	BHAF	
Cc1c(-c2ccc(F)cn2)[nH]c2cccc(F)c12	587634759	QISKTILZBGUTIU-UHFFFAOYSA-N	244.244	3.817	0	1	BHAF	
C(=C1CCC1)c1nc2cnc3ccccc3c2[nH]1	587964512	AKEKXCSEGZITGL-UHFFFAOYSA-N	235.290	3.678	0	1	BHAF	
C[C]1C=CN(Cc2ccc(Cl)cc2)C=C1	2356865585	UHDLNRPAFSLWCI-UHFFFAOYSA-N	218.707	3.777	0	1	BHAF	
CC[C@H](C)CCCCC[C@@H]1CCC(=O)O1	13463058	PVESYPDFVMTIBG-NWDGAFQWSA-N	212.333	3.689	0	1	BHAF	biogenic
c1ccc([C@]2(N3CCCCC3)CC[C@@H]3C[C@@H]32)cc1	13731058	QWQBIGYOFYXHMI-HYVNUMGLSA-N	241.378	3.798	0	1	BHAF	
CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@@H](O)[C@@H]12	15209378	AYZYZJOUAKBQDF-KBUPBQIOSA-N	222.372	3.776	0	1	BHAF	biogenic
CCCCC[C@@H]1NCCc2c1[nH]c1ccccc21	64573289	KRIGKLNSWXBHRW-HNNXBMFYSA-N	242.366	3.935	0	1	BHAF	
CC1=CCCC2=C[C@@H](OC2=O)[C@H](C(C)C)CC1	263638979	YITCHUNKOAYVSD-UONOGXRCSA-N	234.339	3.631	0	1	BHAF	
O=C(Nc1ccccc1)[C@H]1[C@H]2C=CCCCC[C@H]21	5101741	QAUWUDWLPNVUBH-ZNMIVQPWSA-N	241.334	3.618	0	1	BHAF	
CC(C)=CCCC1=CCc2c(O)ccc(O)c2C1	29553513	GEOGVWFVOHPTNF-UHFFFAOYSA-N	244.334	3.869	0	1	BHAF	
C/C1=C/CC/C(C)=C/[C@H]2OC(=O)[C@H](C)[C@@H]2CC1	238746914	OVDMFKGCVWVONO-DUNQFSHRSA-N	234.339	3.631	0	1	BHAF	
CCCCCC[C@H](O)CC[C@H]1CCC[C@@H](C)N1	5782857	XMQISTWKAYJRTI-KFWWJZLASA-N	241.419	3.629	0	1	BHAF	
CC(C)[C@H]1CC(C)(C)[C@H](O)C2=C1CC[C@H]2C	13379035	YAYULTVMGYOHHF-MPKXVKKWSA-N	222.372	3.776	0	1	BHAF	biogenic
CC1=C(C)[C@]23CC[C@H](C)[C@H]2CC[C@@]3(C)C1=O	14709088	WRSMTJOLBOXBOD-VFGSGVCASA-N	218.340	3.738	0	1	BHAF	biogenic
CCSCCCc1c[nH]c2ccc(F)cc12	95603244	IQMUJCAODNDQFV-UHFFFAOYSA-N	237.343	3.993	0	1	BHAF	
CCCN(CCC)[C@@H]1CCc2cccc(C)c2C1	13732310	LHGMAZXBORAQSD-MRXNPFEDSA-N	245.410	3.974	0	1	BHAF	
CC1=CCC[C@]2(C)CC[C@@](O)(C(C)C)C[C@@H]12	15209402	XODMCSWLHUKKPW-ZNMIVQPWSA-N	222.372	3.920	0	1	BHAF	biogenic
C[C@@H]1C=C[C@@H]2CCCC[C@@H]2[C@H]1c1cc(=O)cco1	2356393164	BVLXMXPVFHENSZ-DSPQJCBJSA-N	244.334	3.736	0	1	BHAF	
CC(=CCC[C@]1(C)[C@@H]2C[C@@H]1CC=C2C)C(=O)O	2356675654	CTORLPNPQPAKGI-GUTXKFCHSA-N	234.339	3.790	0	1	BHAF	
C[C@H]1C=CC=C2Cc3occc3CC[C@]21C	13308985	LSMXMJRDVCMVEX-NHYWBVRUSA-N	214.308	3.907	0	1	BHAF	biogenic
CC(C)CC(=O)C[C@H](C)c1ccc(C=O)cc1	14619038	GUWCABZIABQBRL-LBPRGKRZSA-N	232.323	3.608	0	1	BHAF	biogenic
CC1=CC[C@@H]2C[C@@H]1[C@@]2(C)CC/C=C(/C)CO	104369851	JGINTSAQGRHGMG-GQYWAMEOSA-N	220.356	3.698	0	1	BHAF	in-man
COC(=O)/C(C)=C/CC[C@@H](C)c1ccc(C)cc1	238759302	XICYLTQBNRFIHM-PFLCFFIHSA-N	246.350	3.998	0	1	BHAF	
CC(C)=CCC[C@](C)(O)c1ccc(C)c(O)c1	238788058	MQUZJXUZJHUOSQ-HNNXBMFYSA-N	234.339	3.655	0	1	BHAF	
CCCC/C=C/c1nc2ccc(OC)cc2[nH]1	587966481	UYPYDLDMQRNRQY-VOTSOKGWSA-N	230.311	3.775	0	1	BHAF	
C[C@]12N[C@H](C[C@@H]3CCCC[C@@H]31)c1ccccc12	25994636	ASEZTUXOIVZOLB-YUDUHTQSSA-N	227.351	3.756	0	1	BHAF	
CN1[C@]2(C)c3ccccc3[C@@]1(C)[C@H]1CCCC[C@@H]12	25996359	IUXYFUGTQWYCGM-QSPRXWTASA-N	241.378	3.882	0	1	BHAF	
CC1=C[C@]2(C)CC[C@@H](O)[C@@]23[C@H](C)CC[C@@]13C	238741648	WCDMDNMOIJQPML-IKSZGEOFSA-N	220.356	3.530	0	1	BHAF	
C[C@]1(Cc2ccco2)CC[C@@H](c2ccoc2)O1	2356509715	YIVXUDBTOBDAFL-UONOGXRCSA-N	232.279	3.726	0	1	BHAF	
CCCn1ccc2c3ccccc3nc-2c1	392832	SFUAYJFEBSOZSQ-UHFFFAOYSA-N	210.280	3.551	0	1	BHAF	
Cc1ccc2ncnc(Nc3ccccc3C)c2c1	5589380	MTZMNJDZBLFIAM-UHFFFAOYSA-N	249.317	3.990	0	1	BHAF	
CC[C@@H]1C(=O)Oc2cc(-c3ccccc3)ccc21	29247685	YWJCIGFTHQCRKY-ZDUSSCGKSA-N	238.286	3.766	0	1	BHAF	
C[C@]1(C2CCCCC2)[C@H]2CC[C@]1(C)[C@H](O)C2	85545719	SDSJHJFZCPITQJ-YJNKXOJESA-N	222.372	3.754	0	1	BHAF	biogenic,in-vitro
C[C@H]1C=C[C@H]2C[C@H](C)CC[C@@H]2/C1=C\CC(=O)O	238786187	ORLOYGDCENCRMS-QZGYZDSSSA-N	234.339	3.646	0	1	BHAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3C[C@H]4[C@H]2[C@@]4(C)[C@H]31	2356562852	GYBWNBYHPILEBG-GRUOELOHSA-N	204.357	3.961	0	1	BHAF	
CC1(C)CCC[C@@H]1[C@]1(C)C=C[C@](C)(O)CC1	13299413	BQLFIUATYJZEOZ-CFVMTHIKSA-N	222.372	3.920	0	1	BHAF	biogenic
c1ccc([C@H]2[C@H]3c4ccccc4CC[C@H]32)nc1	36311044	JHBQXWSFWPQARO-KBMXLJTQSA-N	221.303	3.525	0	1	BHAF	
Cc1ccc(C2=Nc3cc(F)ccc3OC2)cc1	43016498	YRIBTDQQZHHWJH-UHFFFAOYSA-N	241.265	3.647	0	1	BHAF	
CCCC/C=C/c1nc2cccc(OC)c2[nH]1	587966581	WOFIXHZSTHRICO-UXBLZVDNSA-N	230.311	3.775	0	1	BHAF	
CC=Cc1ccc2c(c1)[C@@H](C)C(C)(C)O2	2356600085	YXEPEHFXXORWGP-SNVBAGLBSA-N	202.297	3.994	0	1	BHAF	
CC1=CC(=O)[C@]2(C)CCCC(C)(C)[C@@]23C[C@@H]13	14766753	DUBQOEOGAJJVNF-CQDKDKBSSA-N	218.340	3.738	0	1	BHAF	biogenic
CC1(C)CCC[C@@]2(C)[C@H]1CC=C1COC[C@@H]12	27550640	ZILKDRJIKKCCSJ-KCQAQPDRSA-N	220.356	3.796	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@H]2CC1	33830025	LHYHMMRYTDARSZ-ZQDZILKHSA-N	222.372	3.776	0	1	BHAF	biogenic,in-vitro
CC(C)CC(=O)[C@@H]1C(c2ccoc2)=CC[C@@H]1C	85945734	UJBABOUNEFANNJ-NHYWBVRUSA-N	232.323	3.934	0	1	BHAF	
CC1=CCCC[C@]12NCCc1cc(C)c(F)cc12	962376521	PREKVGHLRORRSK-INIZCTEOSA-N	245.341	3.605	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)(C)O)CC1	2356539247	HUCBLFQXYARCGJ-KGLIPLIRSA-N	220.356	3.840	0	1	BHAF	
CC1=CC[C@H](C(C)C)C[C@@H]2[C@H]1CC[C@@]2(C)O	2356571546	UQBJCGOOKGDNGP-BYNSBNAKSA-N	222.372	3.776	0	1	BHAF	
C[C@H]1[C@H]2C(=O)C[C@@H]3[C@H]2C(C)(C)CCC[C@]13C	5752293	XROGGPRBZBLTOH-DPXGPQMFSA-N	220.356	3.674	0	1	BHAF	biogenic
CN1[C@H]2CCc3ccccc3[C@]1(C)c1ccccc12	34592978	GDTARIWTSCFMEK-ZWKOTPCHSA-N	249.357	3.883	0	1	BHAF	
CCCCC[C@H](O)C[C@H](O)CCC/C=C/Cl	220764459	DOJFCHNSBVYWMU-APIKWLIHSA-N	248.794	3.601	0	1	BHAF	
CC(C)[C@H](C=C[C@@]1(C)CCCO1)CC[C@H](C)O	2356471759	YOMJFGRYEWDLQO-SOUVJXGZSA-N	240.387	3.545	0	1	BHAF	
COC(=O)[C@H]1C[C@@H](c2ccccc2)[C@H](C)C1(C)C	36386586	GJIKMPIOHAWERW-IACUBPJLSA-N	246.350	3.625	0	3	BHAF	
COc1ccc2c(c1)CCC(c1cccnc1)=C2	13684508	WUTGTMFGCHNUET-UHFFFAOYSA-N	237.302	3.577	0	1	BHAF	in-vivo
CC(C)=CCC/C(C)=C/CNc1cc(C)nn1C	95603241	XOUZYQBEFJOGJX-UKTHLTGXSA-N	247.386	3.833	0	1	BHAF	
Fc1cc(F)cc(Nc2ccc3cc[nH]c3n2)c1	144845474	TXIBSORZUXBCDY-UHFFFAOYSA-N	245.232	3.585	0	1	BHAF	
Cc1ccc(C(C)C)cc2c(C(=O)O)ccc1-2	238734504	LZVAKCHJUKOGEF-UHFFFAOYSA-N	228.291	3.921	0	1	BHAF	
CC(C)c1cc(Cl)c2cc(C(=O)O)[nH]c2c1	1772652206	ASTFAGUPUIUGCS-UHFFFAOYSA-N	237.686	3.643	0	1	BHAF	
CC(C)(C)c1ccc2cccc(F)c2n1	199390910	CWWZPORQYUEQDB-UHFFFAOYSA-N	203.260	3.671	0	3	BHAF	
Cc1ccc2[nH]cc([C@@H]3CCCCC3=O)c2c1	4167710	CXOPVSYLDOGGIK-NSHDSACASA-N	227.307	3.703	0	1	BHAF	
CC(C)COc1cc2c(cn1)[nH]c1ccccc12	13728526	KWHWSXISOMCUPZ-UHFFFAOYSA-N	240.306	3.751	0	1	BHAF	in-vivo
CC[C@@H](C)CCCC[C@H]1CCCC(=O)O1	14724243	UXLFQDAATOVVOK-NEPJUHHUSA-N	212.333	3.689	0	1	BHAF	biogenic
CC[C@@H](C)[C@@H]1C[C@H](Cc2ccccc2)SC1=O	34083869	BGCYZMXAVKUSEX-XBFCOCLRSA-N	248.391	3.924	0	1	BHAF	
Cc1cccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)c1	142546595	PAPCRULUUVHSPF-LRDDRELGSA-N	244.334	3.694	0	1	BHAF	
CC/C=C/C=C\C=C/C=C\CCCCO	238789414	BLTWGWDMUNKAIK-QCSDTBEYSA-N	206.329	3.784	0	1	BHAF	
Oc1cc(CCc2ccccc2)c2ccoc2c1	14503934	CGEBILIBNUWOPA-UHFFFAOYSA-N	238.286	3.924	0	1	BHAF	biogenic
Cc1ccc(-c2ccc3ccc(C)nc3c2)nc1	28710050	OAAAQXWAEYAVNP-UHFFFAOYSA-N	234.302	3.914	0	1	BHAF	
C/C=C/C=C\CC/C=C\C=C\C(=O)NCC(C)C	33842332	VLGRWXYRKYWRPX-FFCXAGQXSA-N	247.382	3.784	0	1	BHAF	
c1cc(-c2ccco2)nc(-c2ccco2)c1	34552655	XKVFXCCRKXFTMV-UHFFFAOYSA-N	211.220	3.602	0	1	BHAF	
Cc1cc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2cc1C	586917045	KGYVBSFORUBYBL-XPTSAGLGSA-N	244.338	3.667	0	1	BHAF	
c1ccc([C@@H]2C[C@H]2Cc2nc3ccccc3[nH]2)cc1	587959050	BRODUQCQLANFFI-KBPBESRZSA-N	248.329	3.909	0	1	BHAF	
Cc1ccc2[nH]c3cc(F)cc(F)c3c2c1	653788025	NFKXMDCHRBFAEO-UHFFFAOYSA-N	217.218	3.908	0	1	BHAF	
CSc1cnc(C)c2[nH]c3ccccc3c12	2356733828	ARIRIEWSAQZIMQ-UHFFFAOYSA-N	228.320	3.746	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CO	15147861	NTVBQYIYTYHSRG-BHPKHCPMSA-N	224.388	3.857	0	1	BHAF	biogenic
C[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C	28645659	BXPVRUBHRVECPL-HEIVXVCXSA-N	236.399	3.856	0	1	BHAF	
c1ccc(CNCC23C[C@@H]4CC2C[C@@H](C4)C3)cc1	40393552	OMWCTQFMJOBAAN-RYTJFDOTSA-N	241.378	3.603	0	1	BHAF	
CCc1ccc(-c2cc(NC(C)C)ncn2)cc1	82160946	ISUNXKPWSLEPTP-UHFFFAOYSA-N	241.338	3.526	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(Cl)nc2[nH]1	586891526	RLSKMMSTMXNTKF-JVXZTZIISA-N	235.718	3.515	0	1	BHAF	
CC(C)(C)c1ccc(/C(O)=C/[N+]#N)cc1	4339897	NQQOGUWJUGFNRF-FLIBITNWSA-O	203.265	3.694	0	3	BHAF	
CC1=CCC[C@]2(C)C1=CC(=O)O[C@@H]2c1ccoc1	1655205	PFXGEOGHUCCQPU-HUUCEWRRSA-N	244.290	3.550	0	1	BHAF	biogenic
C[C@@H]1[C@](C)(O)C[C@]2(C)CC[C@H]3[C@H](C)CC[C@@]312	6488450	SNSNYEAITDGGIF-YRKSKIDTSA-N	222.372	3.610	0	1	BHAF	
N#Cc1ccccc1/C=C/c1ccc(F)cc1	141719078	QGZBTKWXEYUFKE-VMPITWQZSA-N	223.250	3.868	0	1	BHAF	
C/C=C\C=C/C=C\C=C\CC[C@@H](O)CC	238760874	MDEBZXWDIHBXDZ-CRIPSKGXSA-N	206.329	3.782	0	1	BHAF	
C/C1=C\CCC2=C[C@H](OC2=O)[C@H](C(C)C)CC1	238783214	YITCHUNKOAYVSD-ZKZSOYRCSA-N	234.339	3.631	0	1	BHAF	
Cc1[nH]c2cc(Cl)c(F)cc2c1N=O	587630574	LUYVVXGIPIAVQM-UHFFFAOYSA-N	212.611	3.667	0	1	BHAF	
Cc1cc([C@]2(C)CC[C@@H](C(C)C)O2)co1	2356473235	YMGVCVXPMGCDBS-STQMWFEESA-N	208.301	3.638	0	1	BHAF	
CC1(C)CCO[C@H](Sc2ccccc2)C1	5734572	LGFSMYAQZDDIGK-GFCCVEGCSA-N	222.353	3.941	0	1	BHAF	
CC[C@H]1CC[C@]2(CCCC[C@@H](CC)O2)O1	13458478	SOXITGSDPZLVJM-AGIUHOORSA-N	212.333	3.641	0	1	BHAF	biogenic
COc1ccc([C@@H]2CCc3ccccc3O2)cc1	14589576	FDFZBTNUNQHGFC-INIZCTEOSA-N	240.302	3.762	0	1	BHAF	biogenic
CC[C@@H](C)c1nc2c(Cl)c(Cl)cnc2[nH]1	587956790	WNDGGSLPOBWTAH-RXMQYKEDSA-N	244.125	3.778	0	1	BHAF	
C[C@@H]1CCC2=C3[C@@H]1CC[C@]3(C)C[C@]2(C)CO	2356863839	UTKCUTQPQQMYJI-YIKOMLBNSA-N	220.356	3.532	0	1	BHAF	
CCSC(=N)Nc1ccc(C(C)C)cc1	13762685	CPYMJFKWKBUVLI-UHFFFAOYSA-N	222.357	3.910	0	1	BHAF	
CC1=N[C@H](c2ccccc2)Cc2ccccc2N1	27100368	PYRSCMLYSARZTK-INIZCTEOSA-N	236.318	3.814	0	1	BHAF	
COc1cc2cc(C)nc3cc(C)oc(c1)c23	45347811	DNEYAPWOPSUTSF-UHFFFAOYSA-N	227.263	3.606	0	1	BHAF	
CC1=CC[C@@H](C2=CCC[C@H](CO)C2)C1(C)C	64624730	WFCYPFZTEOKUDV-JSGCOSHPSA-N	220.356	3.698	0	1	BHAF	in-vitro
C[C@@]12CC3C[C@@]1(C)CC3(CN1CCCCC1)C2	101679946	KZZDJTYNRLSNPQ-PYBGIAKNSA-N	233.399	3.689	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)C[C@]3(C)CC[C@H]1[C@@]23O	231158885	ZCRYDCBITZERMT-MYYUVRNCSA-N	222.372	3.610	0	1	BHAF	
CC(C)=CC[C@H](O)C(C)=CCCc1ccoc1	2356570851	YDZSKSNVPYIKRS-HNNXBMFYSA-N	234.339	3.876	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)C[C@@H](O)[C@H]2C	2356672598	QJRHDLVPHNGONZ-CORIIIEPSA-N	218.340	3.603	0	1	BHAF	
CC[C@H](C)CC[C@@H]1C=C[C@@H]2CCC(=O)O[C@H]2C1	2356833066	JXWFJNFXUQSKCJ-DGAVXFQQSA-N	236.355	3.711	0	1	BHAF	
CC1=CC(C)=CN(Cc2ccccc2F)[CH]1	2356864197	UZKYMKZUZTZAQR-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
Nc1ccc2cc(C3CCCCC3)ccc2n1	72142904	BHVZMOQDUOPYBI-UHFFFAOYSA-N	226.323	3.865	0	1	BHAF	
C/C=C\c1cc(OC)ccc1OC(=O)[C@H](C)CC	149245908	YARRWVYKHJNVHX-JPVGGKMYSA-N	248.322	3.680	0	1	BHAF	
CCC[C@H](c1nc2ccnc(OC)c2[nH]1)C(C)C	587955322	HIUVPOBCSUTAEA-JTQLQIEISA-N	247.342	3.506	0	1	BHAF	
CCC/C=C(\C)c1cc(O)c(CC)c(O)c1C=O	1545796	BEEZXTYOZYXCKI-JXMROGBWSA-N	248.322	3.676	0	1	BHAF	
CC1=C[C@@H]2C(C)(C)CCC[C@H](C)[C@]2(O)CC1	14439413	MZEVAYMCWKMJAY-GZBFAFLISA-N	222.372	3.920	0	1	BHAF	biogenic
Cc1[nH]c2cc(F)ccc2c1N1CCCC[C@@H]1C	587637099	UYNVMYRWZLKMAS-JTQLQIEISA-N	246.329	3.994	0	1	BHAF	
CCN1CCC(C2C3CC4CC(C3)CC2C4)CC1	1772655390	WURAPFQIMACEIN-UHFFFAOYSA-N	247.426	3.791	0	1	BHAF	
CCN[C@@]12CCCC[C@@H]1CSc1ccccc12	29571251	LOQRDENWDVBHOC-DOMZBBRYSA-N	247.407	3.787	0	1	BHAF	
CN1[C@@H]2Cc3ccccc3[C@@]1(C)[C@H]1CCCC[C@@H]12	34614599	LGEKADIHPOTMRU-LLLHUVSDSA-N	241.378	3.578	0	1	BHAF	
C/C(=C\CC[C@@H](C)c1ccc(C)cc1)C(=O)O	238750835	JDKJVDRJDPKBER-FIKOHSHLSA-N	232.323	3.910	0	1	BHAF	
CCCCCC(=O)[C@@H]1C[C@@H]2C[C@H]1C=C2C	238751059	IAVKLBRHLFHUHW-YNEHKIRRSA-N	206.329	3.738	0	1	BHAF	
C[C@@H](CC=CC=Cc1ccccc1)[C@@H](C)O	2356657301	ARROMLOSFCWJKF-UONOGXRCSA-N	216.324	3.663	0	1	BHAF	
CC(=O)c1cc2c(s1)-c1cc(F)ccc1OC2	108542	QQWRHWHSRGEJIE-UHFFFAOYSA-N	248.278	3.649	0	3	BHAF	
CC1=CC[C@]2(C[C@@H]1O)[C@@H](C)CC[C@H]2C(C)C	14413239	WBVRKDUUNZBZET-AJNGGQMLSA-N	222.372	3.776	0	1	BHAF	biogenic
C[C@@H]1C[C@H](c2ccccc2)[C@H]2CCCCN2C1	28645468	KVDDHSOWSOEYMM-FVQBIDKESA-N	229.367	3.665	0	1	BHAF	
CC1=C[C@]2(C=C[C@H](C)O2)[C@@H](C(C)C)CC1	59560110	QQLMXACDDRGTPU-BFHYXJOUSA-N	206.329	3.712	0	1	BHAF	endogenous,in-man
CCCCC[C@H]1NCCc2c1[nH]c1ccccc21	64573287	KRIGKLNSWXBHRW-OAHLLOKOSA-N	242.366	3.935	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(Cl)nc2[nH]1	586891529	RLSKMMSTMXNTKF-MADCSZMMSA-N	235.718	3.515	0	1	BHAF	
C[C@@H]1CCC2=C(C(=O)O)C(C)(C)[C@H]3CC[C@]21C3	2356534184	XHMBBGJOXXLKCH-HFBDOXOYSA-N	234.339	3.624	0	1	BHAF	
c1ccc(CC2=NO[C@H](c3ccccc3)C2)cc1	45497744	KJHQJIXWXXXQJV-INIZCTEOSA-N	237.302	3.747	0	1	BHAF	
CC1=C[C@@]2(C)CCC[C@]23[C@@H](C)CC[C@]13CO	85944201	NYZXJFRRTUXEED-ATGSNQNLSA-N	220.356	3.532	0	1	BHAF	
Oc1ccc(-c2csc3ccccc23)c(O)c1	103246393	NRPJYIQZRBZZTI-UHFFFAOYSA-N	242.299	3.980	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]41)CC2	587215250	KGTRMPPMBAETQE-DPDCMNJDSA-N	247.341	3.944	0	1	BHAF	
CC[C@H](C)c1nc2ccc3ncccc3c2[nH]1	587957055	YVKKNHJHUQVAOY-VIFPVBQESA-N	225.295	3.625	0	1	BHAF	
Fc1ccccc1-c1cncnc1-c1ccco1	653863959	LONBYUYAPUBEHJ-UHFFFAOYSA-N	240.237	3.543	0	1	BHAF	
CCCCCC[C@H]1C[C@H]1CCCC(=O)O	2356795960	MQWFOICQHNOBOJ-NWDGAFQWSA-N	212.333	3.848	0	1	BHAF	
c1ccc(-c2nc3ccccc3n3cncc23)cc1	7564	HREKZDQONXNENG-UHFFFAOYSA-N	245.285	3.550	0	3	BHAF	
c1ccc(-c2cc3cc4c(cc3cn2)OCO4)cc1	38255892	OOYRZAMSXKKWKK-UHFFFAOYSA-N	249.269	3.631	0	3	BHAF	
CC(C)(C)NC(=O)C12CC3C[C@H](CC[C@H](C3)C1)C2	236431	GQVAVCMUBAPBDP-ZAQWFSBCSA-N	249.398	3.508	0	1	BHAF	
CC(=O)CC[C@H]1C(C)=CC[C@H](C)C1(C)C	14557285	GOWGYNUJGXNVOU-AAEUAGOBSA-N	208.345	3.984	0	1	BHAF	biogenic
CCN1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)cc1)C2	27420639	BYKWZRJIQJVYGD-BFHYXJOUSA-N	235.758	3.680	0	1	BHAF	
Cc1ccc([C@H]2CN(C)Cc3ccccc32)s1	34434497	YTYBDRIOUDWUGR-AWEZNQCLSA-N	243.375	3.634	0	1	BHAF	
CN1[C@H]2Cc3ccccc3[C@]1(C)[C@H]1CCCC[C@H]21	34614601	LGEKADIHPOTMRU-QSPRXWTASA-N	241.378	3.578	0	1	BHAF	
Nc1c(-c2ccc(F)cc2)[nH]c2cccc(F)c12	587634181	DDZOCXGCBUMKGD-UHFFFAOYSA-N	244.244	3.695	0	1	BHAF	
Cc1nc(N(C(C)C)C(C)C)c(C(C)C)o1	1645092	HOYWZYAVWHZQRU-UHFFFAOYSA-N	224.348	3.730	0	1	BHAF	
CC1=CCC[C@]2(C)CC[C@@H](C(C)(C)O)C=C12	15206789	ZGXJVMOLIQCZFN-IUODEOHRSA-N	220.356	3.840	0	1	BHAF	biogenic
C[C@]12N[C@H](C[C@H]3CCCC[C@H]31)[C@H]1CCCC[C@@H]12	34614618	FHRWBXVLMJUUQU-TWHJKIGZSA-N	233.399	3.733	0	1	BHAF	
O=c1c(O)ccccc1-c1ccc2ccccc2c1	96913633	ZAJVVUCLCLFUFW-UHFFFAOYSA-N	248.281	3.573	0	1	BHAF	
Cc1cc(O)c([C@@]2(C)CCCC2(C)C)cc1O	13412331	GDVVPXPJALHXQC-OAHLLOKOSA-N	234.339	3.874	0	1	BHAF	biogenic
C[C@@H](CCC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	85845247	GDGGAJNITUJKMP-VEPKIKQASA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
C[C@H]1CC[C@]2(O)C(C)(C)[C@@H]3CC[C@@]2(C)[C@H]1C3	103565939	GGHMUJBZYLPWFD-XXUMUBMXSA-N	222.372	3.610	0	1	BHAF	biogenic,in-vitro
C/C=C/C(C)=C/[C@H](C)[C@H](O)[C@H](C)CCC	238734250	TZAIZDJNSHBBJW-HHTNGBSCSA-N	210.361	3.942	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)C=C(C(=O)O)[C@@H]3CC[C@]12C3	238779455	LJSZMAJFLHJWJE-FKGLVLAHSA-N	234.339	3.624	0	1	BHAF	
CCCc1nc2cccc3c2c(c1CC)CC3	587212624	CDSPAVMERZLBAL-UHFFFAOYSA-N	225.335	3.848	0	1	BHAF	
CC(C)C1=CC[C@@H](C)[C@@H](O)C=C[C@@H](C)CC1	2356329354	BSRRJWBQIJEMIW-GUTXKFCHSA-N	222.372	3.942	0	1	BHAF	
CC1=CCC[C@]2(C)C[C@H](O)C(=C(C)C)C[C@H]12	2356781585	IXLZPSFSDTUQHG-QLFBSQMISA-N	220.356	3.840	0	1	BHAF	
CC(C)=C[C@@H]1C[C@@H](C)c2cc(O)c(C)cc2O1	238787202	LWGKZBSDGZFFFY-ZYHUDNBSSA-N	232.323	3.921	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1-c1ccncc1	587636746	HETBJYICCHFGGF-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
Oc1cccc(-c2cc3ccc(O)cc3s2)c1	13472836	LKYACRQMMKQRSQ-UHFFFAOYSA-N	242.299	3.980	0	1	BHAF	
Oc1ccc([C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@H]32)cc1	250265764	WWFVMVARNSHTHZ-AMMHQNNLSA-N	226.319	3.708	0	1	BHAF	
O=C(c1coc2ccc(Cl)cc12)C1CC1	587278725	SBJILFFMUVCZRZ-UHFFFAOYSA-N	220.655	3.679	0	1	BHAF	
CCCCCCOC(=O)C=Cc1ccc(O)cc1	2356610862	AGXFGQBFMFJFCD-UHFFFAOYSA-N	248.322	3.529	0	1	BHAF	
C=C(C)[C@@H]1C(=O)C=C(C)[C@@H]2CC[C@@H](C)C[C@H]21	14918220	SIZHTHJIDBXZNM-ZRQNBYAXSA-N	218.340	3.760	0	1	BHAF	biogenic
Cc1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2c1	587967692	QTJHSZAFBLGGEA-VXGBXAGGSA-N	226.323	3.941	0	1	BHAF	
C[C@H]1[C@H](C)CCC2=C[C@H](CO)C(C)(C)[C@@]21C	2356391834	FHNGRPUUPUOBAK-NDPMZMCLSA-N	222.372	3.633	0	1	BHAF	
CC=CC(C)=C[C@H](C)[C@H](O)[C@H](C)CCC	2356561204	TZAIZDJNSHBBJW-HZSPNIEDSA-N	210.361	3.942	0	1	BHAF	
C=CC(C)=CC[C@]1(C)C(C(=O)O)=CCC[C@H]1C	2356579004	NHASXRPHDCXJBS-DOMZBBRYSA-N	234.339	3.956	0	1	BHAF	
C[C@@H]1C(=O)C[C@@]2(C)C[C@H]1[C@@]1(C)CCC[C@@]21C	2356691307	DRNLMIXGZNDYEP-JHOKLZQASA-N	220.356	3.818	0	1	BHAF	
COC(=O)N1c2ccccc2Oc2ccccc21	95579200	JKABVPJZJAQCKL-UHFFFAOYSA-N	241.246	3.697	0	1	BHAF	
CCCC1(c2nc3c(Cl)ccnc3[nH]2)CCC1	586877946	YJOLPFLDGGSBER-UHFFFAOYSA-N	249.745	3.833	0	1	BHAF	
C/C=C/CN(C)Cc1ccc2c(c1)CCCCC2	653827759	YOJXVDPIXZFIIS-ONEGZZNKSA-N	243.394	3.963	0	1	BHAF	
CC1(C)CCC[C@H]1[C@@]1(C)C=C[C@](C)(O)CC1	13299411	BQLFIUATYJZEOZ-SNPRPXQTSA-N	222.372	3.920	0	1	BHAF	biogenic
c1coc(-c2ccnc(-c3ccco3)c2)c1	28762584	JQABIROZUHQMGJ-UHFFFAOYSA-N	211.220	3.602	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2ccc(F)c(F)c2[nH]1	587968280	YOVZRTAVNFZCSV-RKDXNWHRSA-N	248.276	3.911	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@H](CO)CC[C@@H]12	2356397173	IUKILOCAVNUEAC-KBXIAJHMSA-N	222.372	3.633	0	1	BHAF	
COc1ccc(-c2c[nH]c3ccccc23)cc1	37632517	OUMZDWFYQVDLAY-UHFFFAOYSA-N	223.275	3.844	0	1	BHAF	
CC1=CC[C@H]2[C@]3(C)CC[C@@H]4[C@@H]3[C@@]12OC4(C)C	95911206	MMJLGRDTAHXVGD-FUQNVFFISA-N	218.340	3.546	0	1	BHAF	biogenic,in-vitro
Clc1ccc(C2=NOCc3ccccc32)s1	103188638	MQOYOCRWPZOREO-UHFFFAOYSA-N	249.722	3.684	0	1	BHAF	
CCc1ccccc1-c1ccc2[nH]ncc2c1	169329416	MSZQIMOHOGZARD-UHFFFAOYSA-N	222.291	3.792	0	1	BHAF	
Cc1sc2c(c1C)CCN[C@]21CCC1(C)C	963016247	XVIHMHIYXNPHOP-CQSZACIVSA-N	235.396	3.526	0	1	BHAF	
CN1C=CC=C/C1=C\C=C1/C=Nc2ccccc21	33391134	DHWBPQRIUWVLJR-UTLPMFLDSA-N	234.302	3.685	0	1	BHAF	
C[C@H]1[C@H]2c3ccccc3C[C@H](c3ccccc32)N1C	95607529	GSOKUGXLPOWMGZ-RZAIGCCYSA-N	249.357	3.750	0	1	BHAF	
CC(C)N[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@H]1C2	101334444	OJYLNXVPGPJQFN-QRTARXTBSA-N	241.378	3.867	0	1	BHAF	
C[C@@H]1CC[C@]23[C@H]1CC[C@@]2(C)C[C@](C)(O)[C@@H]3C	147146780	SNSNYEAITDGGIF-XZBVAUNFSA-N	222.372	3.610	0	1	BHAF	
CC1=C2C=C([C@@H](O)C(C)C)C[C@]2(C)CCC1	2356493471	UOVORXZPBDGJCT-GJZGRUSLSA-N	220.356	3.840	0	1	BHAF	
C/C1=C\CCC(=O)[C@@H]2CC(C)(C)[C@@H]2CC1	3171719	MBZBBVTYLUNZPJ-VDUSXYPOSA-N	206.329	3.738	0	1	BHAF	in-vitro
Cc1ccnc(Nc2ccc3ccccc3n2)c1	13234500	AULLPZPGEQAVPO-UHFFFAOYSA-N	235.290	3.682	0	1	BHAF	
CC1=CCCC(C)(C)[C@H]2C=C(CO)CC[C@H]12	14439365	UCUDZMUAHCPZCI-KGLIPLIRSA-N	220.356	3.698	0	1	BHAF	biogenic
CC1=CC[C@@H](C(C)C)[C@H]2C[C@@H](C)CC[C@@]12O	238769163	MFNUNCDPCGAKMB-SPWCGHHHSA-N	222.372	3.776	0	1	BHAF	
C[C@@H]1CC[C@]2(O)[C@H]1CC(C)(C)C[C@@H]1C[C@]12C	238784204	DWXUKGQAPQEPTH-AMVBZWJASA-N	222.372	3.610	0	1	BHAF	
CC(C)=CCC[C@@](C)(O)c1ccc(C)c(O)c1	2356624730	MQUZJXUZJHUOSQ-OAHLLOKOSA-N	234.339	3.655	0	1	BHAF	
Cc1ccc2oc(=O)c(-c3ccccc3)cc2c1	39246651	CWPFCMRZZPIZTM-UHFFFAOYSA-N	236.270	3.768	0	1	BHAF	
Oc1ccc(C23CC4CC(CC(C4)C2)C3)c(O)c1	40899686	NAJPJOQCMCYGLX-UHFFFAOYSA-N	244.334	3.566	0	1	BHAF	in-vivo
CC1=C[C@H]2C(=C(C)C)CC[C@H](C)[C@H]2C[C@H]1O	238780877	DMKWBQROHUFGFK-OADPDTJPSA-N	220.356	3.696	0	1	BHAF	
CC(=O)CC/C=C(\C)C[C@@H]1CC(C)(C)CC1=O	238787982	QUPFTDWCMKYGQM-ASJRZHAZSA-N	236.355	3.697	0	1	BHAF	
CC1=C[C@]2(C=C[C@@H](C)O2)[C@H](C(C)C)CC1	255997553	QQLMXACDDRGTPU-HZSPNIEDSA-N	206.329	3.712	0	1	BHAF	endogenous,in-man
CC1=C[C@H]2C(=C(C)CC[C@H]2C(C)(C)O)CC1	2356539248	HUCBLFQXYARCGJ-UONOGXRCSA-N	220.356	3.840	0	1	BHAF	
CC1=C[C@]23OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@]3(C)CC1	2356710488	GLENKKGPJNCTCZ-QUEVPRLRSA-N	248.366	3.711	0	1	BHAF	
Cc1cc2c(C(C)C)cc(O)c(C)c2cc1O	6070422	OKOXDXHTJZNGOM-UHFFFAOYSA-N	230.307	3.991	0	1	BHAF	biogenic,in-vitro
C=C1CC[C@@H]2[C@H](C)C(=O)C[C@@H](C(=C)C)[C@H]2C1	13381327	VBTALUUAPIOMQJ-CRWXNKLISA-N	218.340	3.760	0	1	BHAF	biogenic
Cc1ccc2[nH]c(-c3cccc(Cl)n3)nc2c1	27852378	SGRROLNFTHHROU-UHFFFAOYSA-N	243.697	3.587	0	1	BHAF	
O=c1ccc2ccc(OC3CCCCC3)cc2o1	103277533	BAPFZLJZFSZZTH-UHFFFAOYSA-N	244.290	3.505	0	1	BHAF	
CC1=C2CC[C@](C)(O)C[C@H]2[C@@H](C(C)C)CC1	2356445794	OYKYYOKNASFMLL-SNPRPXQTSA-N	222.372	3.920	0	1	BHAF	
CC1=CC[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@@H]2C	2356471494	QJRFOUJEGHRZIU-RDBSUJKOSA-N	234.339	3.631	0	1	BHAF	
C[C@H]1CC[C@H]2[C@H](C)CCC(=CC(C)(C)O)[C@H]12	2356526728	IYMKPZYUEJPWPC-XWUBHJNHSA-N	222.372	3.776	0	1	BHAF	
CC1=C[C@@H]2C(C)(C)CCC[C@@H](C)[C@]2(O)CC1	14439411	MZEVAYMCWKMJAY-UMVBOHGHSA-N	222.372	3.920	0	1	BHAF	biogenic
C[C@@H]1CC[C@H]2C(C)(C)[C@@](C)(O)[C@H]3CC[C@@]12C3	38272151	IJVXAOHQRPSJDV-FUQNVFFISA-N	222.372	3.610	0	1	BHAF	
Oc1ccc(Oc2ccc(Cl)cc2O)cc1	64491707	DKAOARIYRVHDQC-UHFFFAOYSA-N	236.654	3.544	0	1	BHAF	
CC[C@@H](C)Nc1cc(-c2ccc(C)cc2)ncn1	82161461	UAUNBSPHGWOKFS-GFCCVEGCSA-N	241.338	3.662	0	1	BHAF	
CCCc1cc2c(o1)c(N)nc1ccccc12	96914610	PICYVIKZGAWNIC-UHFFFAOYSA-N	226.279	3.516	0	1	BHAF	
Cc1ccc(-c2[nH]c3cccc(F)c3c2N)cc1	587636144	RUTPWCOVYHJEOO-UHFFFAOYSA-N	240.281	3.865	0	1	BHAF	
Cc1ccc2c(c1)O[C@]1(C)[C@@H](C)CC[C@@]21C	13370961	GKBLYWARCJKYHQ-TUKIKUTGSA-N	216.324	3.834	0	1	BHAF	biogenic
CCCCOc1ccc(-c2oncc2C)cc1	13530221	KWEADCNYIUWGLT-UHFFFAOYSA-N	231.295	3.829	0	1	BHAF	
CC1=C[C@@H]2Cc3occc3C(C)(C)[C@@H]2C=C1	15222108	SQAVUCKXPOTTEA-VXGBXAGGSA-N	214.308	3.862	0	1	BHAF	biogenic
CC[C@@]1(C)C[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1	586890930	PXNSJNNEVIAEMH-NHYWBVRUSA-N	242.322	3.669	0	1	BHAF	
CC1=C2[C@@H](O)C[C@H](C)[C@@]23CC[C@@H](C3)C1(C)C	2356580664	ZRRTYQUKAJCICD-OXUWNYNTSA-N	220.356	3.530	0	1	BHAF	
Cc1cc(N)ccc1/C=C/c1ccccc1	3643405	YPJOIMSTZPAMAP-BQYQJAHWSA-N	209.292	3.748	0	1	BHAF	
Oc1ccc(-c2ccc3c(O)cccc3c2)cc1	13644990	MBESMLNJQCOTRU-UHFFFAOYSA-N	236.270	3.918	0	1	BHAF	in-vivo
CCCC[C@@H](CCn1cncn1)c1ccccc1	103223141	VHXVJECKQORHQR-HNNXBMFYSA-N	243.354	3.642	0	1	BHAF	
CC1=CC[C@@H]2[C@H](C)CC[C@@H](/C=C(\C)C(=O)O)[C@H]12	238747641	FUHPCDQQVWLRRY-JQDTZHFSSA-N	234.339	3.646	0	1	BHAF	
CC(C)(C)c1ccc2nc(C=C3CCC3)[nH]c2n1	587964623	DWSNGEIGOYJCMV-UHFFFAOYSA-N	241.338	3.823	0	1	BHAF	
CCCCN1CCC2=C(Cc3ccccc32)C1	13455461	ZTAAYZUUCPOIBW-UHFFFAOYSA-N	227.351	3.502	0	1	BHAF	
CC(C)n1cc(-c2ccncc2)c2ccncc21	1772655338	UIVOWAUHPLCYNK-UHFFFAOYSA-N	237.306	3.679	0	1	BHAF	
C/C1=C\CCC2=C[C@H](C/C(C)=C/CC1)OC2=O	33829784	JOQILOMKLDOWGX-RSPBECQPSA-N	232.323	3.695	0	1	BHAF	biogenic,in-vitro
C[C@@H]1CCC=C2CC[C@@H](c3cc3=O)C[C@]21C	2356413611	GKIKMPZURPYPCN-HFAKWTLXSA-N	216.324	3.553	0	1	BHAF	
CCCN1CC[C@@H](C2C3CC4CC(C3)CC2C4)C1	26265881	KXVCFBBFQFJYJW-GSVLIZDISA-N	247.426	3.791	0	1	BHAF	
C/C(=C\CC[C@H](C)c1ccc(C)cc1O)CO	34073531	XSAJFFNCZLFEJE-YFTXEMMHSA-N	234.339	3.523	0	1	BHAF	
C/C1=C/CC/C(C(=O)O)=C\[C@@H]2[C@H](CC1)C2(C)C	169356615	BBGNZFMMXLMZRC-ZHNIMSJFSA-N	234.339	3.790	0	1	BHAF	
CCN1[C@H]2CC[C@H]1[C@H](c1ccc(Cl)cc1)C2	253683568	BYKWZRJIQJVYGD-IHRRRGAJSA-N	235.758	3.680	0	1	BHAF	
CC(C)[C@@H]1Cc2c1nc1cccc3c1c2CC3	587213496	JKZDUNDWAAQXMJ-LBPRGKRZSA-N	223.319	3.629	0	1	BHAF	
C[C@@]12CC[C@@H](C[C@H]1O)[C@@]2(C)C1CCCCC1	2356371886	SDSJHJFZCPITQJ-GBJTYRQASA-N	222.372	3.754	0	1	BHAF	
c1cncc([C@H]2[C@@H]3CCc4ccccc4[C@@H]23)c1	195316021	QRKOWDMRFAGLGC-HRCADAONSA-N	221.303	3.525	0	1	BHAF	
c1csc([C@@H]2C[C@H]3Cc4ccccc4N2O3)c1	299829422	KGRSOFLMAIQTBG-YPMHNXCESA-N	243.331	3.556	0	1	BHAF	
C[C@@H](c1nc[nH]c2nccc1-2)C1CCCCC1	1911575582	KCWPTJJHEHEGBU-SNVBAGLBSA-N	229.327	3.593	0	1	BHAF	
CC1=C2c3cc(C)c(C)cc3[C@@H](C)C[C@@H]2OC1=O	2356638294	YKUQTDKMRDPOQH-HZMBPMFUSA-N	242.318	3.510	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)CCC[C@]2(O)C1	9222082	FUQAYSQLAOJBBC-MXYBEHONSA-N	222.372	3.754	0	1	BHAF	in-vitro
CC1=CC[C@H]2C[C@@H]1[C@@]2(C)CC/C=C(\C)C(=O)O	13376484	CTORLPNPQPAKGI-KFCMCJRJSA-N	234.339	3.790	0	1	BHAF	in-man
Cc1ccncc1-c1cccc2c1ncn2C1CC1	95560838	NTAYCISWXHBATA-UHFFFAOYSA-N	249.317	3.742	0	1	BHAF	
CC/C=C\C=C\C=C/C=C\CCCCO	238789415	BLTWGWDMUNKAIK-SDOBVRSVSA-N	206.329	3.784	0	1	BHAF	
Cc1cc(C)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1	587967025	KGWXUZWUVKKSIP-YNEHKIRRSA-N	238.334	3.859	0	1	BHAF	
c1ccc(-c2cncn2-c2ccccc2)cc1	5286445	JBLLBGIUSCXVSG-UHFFFAOYSA-N	220.275	3.539	0	3	BHAF	
CC1=CCC[C@@]2(C)C1=CC(=O)O[C@@H]2c1ccoc1	5767047	PFXGEOGHUCCQPU-CABCVRRESA-N	244.290	3.550	0	1	BHAF	biogenic
Cc1ncc(C(F)F)n1-c1ccc(Cl)cc1	28962775	BLGPFLFJGMZWIP-UHFFFAOYSA-N	242.656	3.772	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@H](O)C(C)(C)[C@@]23C[C@@H]13	2356379381	RKYRGTWYGYBPFJ-VIRABCJISA-N	220.356	3.530	0	1	BHAF	
C=C(C)C(=O)[C@@H]1CCC2=CCC[C@@H](C)[C@]21C	13385644	BBPWHBFXPZVFJI-OSAQELSMSA-N	218.340	3.904	0	1	BHAF	biogenic
C[C@H](c1ccc2ccccc2c1)c1ncc[nH]1	13450530	WVDIRTLHBANRPM-LLVKDONJSA-N	222.291	3.715	0	1	BHAF	
CC[C@@H]1CCCC[C@@]2(CC[C@@H](CC)O2)O1	15042814	SOXITGSDPZLVJM-JHJVBQTASA-N	212.333	3.641	0	1	BHAF	biogenic
CCCN1CC[C@H](C2C3CC4CC(C3)CC2C4)C1	26265889	KXVCFBBFQFJYJW-JGUIRARASA-N	247.426	3.791	0	1	BHAF	
CCCN1CCC[C@H]2C[C@@H]1c1ccccc12	27523679	HCZMILOQFKMCJC-SWLSCSKDSA-N	215.340	3.721	0	1	BHAF	
Cc1ccc(NC23CC4CC(CC(C4)C2)C3)nc1	28223148	LGACVMXAIQHJAG-UHFFFAOYSA-N	242.366	3.771	0	1	BHAF	
CC[C@H](C)CCCCCCCCC[C@H](O)CO	238756439	STLQPQBVJGUVMY-GJZGRUSLSA-N	244.419	3.897	0	1	BHAF	
COC(=O)C(C)=CCC[C@@H](C)c1ccc(C)cc1	2356655101	XICYLTQBNRFIHM-CYBMUJFWSA-N	246.350	3.998	0	1	BHAF	
CCN[C@]12CCCC[C@H]1CCc1ccccc12	13831968	DGBRGNBZYYODJF-GOEBONIOSA-N	229.367	3.628	0	1	BHAF	
CN[C@@]12CCCC[C@H]1C[C@@H](C)c1ccccc12	29571811	LATMEMFFKNJSDV-WWGRRREGSA-N	229.367	3.799	0	1	BHAF	
C/C=C/C=C\CCC/C=C/C(=O)NCC(C)C	34457874	RRGACHGVTJJFEN-LFKFIDTLSA-N	235.371	3.617	0	1	BHAF	
CC1=C[C@H]2[C@@H](C[C@H]1O)C(C)=CC[C@@H]2C(C)C	59204072	XYCKDFDUKUYASB-LXTVHRRPSA-N	220.356	3.552	0	1	BHAF	
C/C1=C\C[C@H]2[C@H](C/C(C)=C/CC1)OC(=O)[C@@H]2C	230620417	QJRFOUJEGHRZIU-PHQNYUPYSA-N	234.339	3.631	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1	586889722	MQJMHZQHCZVJRL-ZUZCIYMTSA-N	244.338	3.784	0	1	BHAF	
CC(C(=O)O)=C1CCC2=CCC[C@@H](C)[C@]2(C)C1	2356646953	VNECIGJTOXTUTM-BMIGLBTASA-N	234.339	3.934	0	1	BHAF	
c1ccc([C@@H]2[C@H]3c4ccccc4CC[C@@H]23)nc1	13746699	JHBQXWSFWPQARO-VNQPRFMTSA-N	221.303	3.525	0	1	BHAF	
c1cncc([C@@H]2[C@@H]3CCc4ccccc4[C@H]32)c1	100053385	QRKOWDMRFAGLGC-ARFHVFGLSA-N	221.303	3.525	0	1	BHAF	
CC(=O)[C@H](C)CC=CC=Cc1ccccc1	2356554083	KJVVKOWXNRGZDU-CYBMUJFWSA-N	214.308	3.871	0	1	BHAF	
CC1=CC=C[CH]N1Cc1ccc(Cl)cc1	2356862746	ICYHPGDIYXTWQN-UHFFFAOYSA-N	218.707	3.777	0	1	BHAF	
Cc1ccc(C)c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1	5094417	VMNUJZBAOUTBFJ-MJBXVCDLSA-N	243.350	3.678	0	1	BHAF	
CC1=C2CC[C@@](C)(O)[C@H]2[C@@H]2[C@H](CC1)C2(C)C	13372974	FPRYGNYXOFHMLF-SFDCQRBFSA-N	220.356	3.530	0	1	BHAF	in-man
CC(C)=CCC/C(C)=C/CCC1=CC(=O)OC1	15214171	FNHHDLJGCKAXKZ-MDWZMJQESA-N	234.339	3.943	0	1	BHAF	
CN1CC=C(CCc2cccc(Cl)c2)CC1	26839470	ZDKXXSVUVFEDNA-UHFFFAOYSA-N	235.758	3.535	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@@H]1c1cccc(OC)c1	28108602	CDBKSCIFVPNNTJ-CVEARBPZSA-N	247.382	3.673	0	1	BHAF	
CC1=C[C@H]2[C@H](CC[C@H]2C)[C@@](O)(C(C)C)CC1	238756029	XMPXBOBVAYYYMD-KBXIAJHMSA-N	222.372	3.776	0	1	BHAF	
C[C@H]1C[C@H]1C(=O)c1coc2ccc(Cl)cc12	587277765	AQIVZXRPLPPZMV-IONNQARKSA-N	234.682	3.925	0	1	BHAF	
CC[C@H](C)c1nc2ccc(OC(C)C)cc2[nH]1	587954680	AUJDGNYTFCBVIL-JTQLQIEISA-N	232.327	3.864	0	1	BHAF	
CC1=C2c3cc(C)c(C)cc3[C@@H](C)C[C@H]2OC1=O	2356638295	YKUQTDKMRDPOQH-IINYFYTJSA-N	242.318	3.510	0	1	BHAF	
CCCc1[nH]c2ccc(C)cc2c1C(=O)OCC	206038298	FMFFJRMNHAVGFE-UHFFFAOYSA-N	245.322	3.606	0	3	BHAF	
c1ccc2c(c1)CC[C@@H]1c3ccccc3O[C@H]21	82151753	BGVSYDOVVPDSGO-GDBMZVCRSA-N	222.287	3.850	0	1	BHAF	
CC(C)C(=O)CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C	238767912	QCNPBJGLBGLMJY-CUZKYEQNSA-N	220.356	3.674	0	1	BHAF	
Clc1ccc(-n2cnc3ccccc32)cc1	13782571	GPZLBJNZLMPUML-UHFFFAOYSA-N	228.682	3.679	0	1	BHAF	
C[C@]12N[C@H](CC3=C1CCCC3)[C@H]1CCCC[C@H]12	36761196	YGTVUMWZFUCODU-XZDPQHSOSA-N	231.383	3.798	0	1	BHAF	
Clc1ccc(-c2cc3n(n2)CCCC3)cc1	96911193	AOLPOAZLXDTQSZ-UHFFFAOYSA-N	232.714	3.540	0	1	BHAF	
C[C@@H]1c2ccoc2[C@H]2O[C@@H]3C[C@@H](C)[C@@]2(C)[C@]13C	238739701	YWGVXUNGKBSLEW-VPSWNLQMSA-N	232.323	3.889	0	1	BHAF	
CC(C)[C@H]1CCC[C@](C)(O)[C@@H]2C=C[C@@H](C)[C@@H]21	238754298	HFWPFTKIWIPREI-RYPNDVFKSA-N	222.372	3.632	0	1	BHAF	
Fc1ccc2c(c1)CC/C2=C/c1ccncc1	100056302	KVRYTKBSTLSXKC-XFXZXTDPSA-N	225.266	3.708	0	1	BHAF	in-vivo
Cc1ccc([C@]2(C)C[C@@H](C)CC=C2C(=O)O)cc1	142523977	RMGJORABDQLHBA-LRDDRELGSA-N	244.334	3.694	0	1	BHAF	
CCn1cncc1-c1c[nH]c2ccc(Cl)cc12	1857552420	VJPJWNIYTXLISE-UHFFFAOYSA-N	245.713	3.705	0	1	BHAF	
CC(CO)=C1CC(C)(C)C[C@H]2[C@@H]1CC[C@H]2C	2356817242	DJBXKQSFHIRXRM-KGYLQXTDSA-N	222.372	3.778	0	1	BHAF	
Cc1cc2c(C)coc2cc1[C@H]1CC[C@@](C)(O)O1	14694221	HGZNBZRPLXXXCS-HIFRSBDPSA-N	246.306	3.610	0	1	BHAF	biogenic
c1ccc2c(c1)CCn1c-2cc2ccccc21	39648502	MIMAKGCYHROECJ-UHFFFAOYSA-N	219.287	3.864	0	1	BHAF	
CCN(C)C[C@@H]1C[C@H]1c1ccc2ccccc2c1	58522322	RSKCEJCNFPNSGQ-IRXDYDNUSA-N	239.362	3.895	0	1	BHAF	
O=C1c2cc(F)ccc2-c2[nH]c3ccccc3c21	84602329	RPMZRJDPBRNLEV-UHFFFAOYSA-N	237.233	3.518	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1	586887795	HZKRDWOLWRFLQX-ISVAXAHUSA-N	236.265	3.745	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2ccnc(Cl)c2[nH]1	586891427	QYUFORBOUZDBPL-JVXZTZIISA-N	235.718	3.515	0	1	BHAF	
Cc1ccoc1-c1cc2c3c(cccc3n1)CC2	587216237	WZHCIHHFSJBQSP-UHFFFAOYSA-N	235.286	3.902	0	1	BHAF	
C[C@H]1[C@H](C)C[C@@H]2[C@H](O)[C@@H]3CC(C)(C)C[C@@H]3[C@]12C	2356721598	JXTINQFFOKAJPL-QIYYTPJMSA-N	236.399	3.712	0	1	BHAF	
CC1=Nc2ccc(C)cc2NC(C)=C1N=O	100489046	MADGEBPNFUNUPW-UHFFFAOYSA-N	215.256	3.511	0	3	BHAF	
C[C@@H](C(=O)O)c1ccc(Nc2ccccc2)cc1	26377439	YZXXKOJOBYISKD-LLVKDONJSA-N	241.290	3.618	0	1	BHAF	
Cc1ccc2c(c1)NCCc1ccccc1O2	26391916	FEDHOIDLJKDGEC-UHFFFAOYSA-N	225.291	3.755	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@H]1O	2356340715	WEDRSLQTRJEVCH-AEGPPILISA-N	220.356	3.696	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)[C@@H](O)C[C@H]2C	2356483291	HTPALWBCPQXQBN-UGFHNGPFSA-N	218.340	3.603	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@H]1c1ccsc1	13755503	UZGBLHIJMBPRON-STQMWFEESA-N	223.385	3.726	0	1	BHAF	
Cc1nc2c(/C=C\c3ccccc3)nccn2c1C	29404461	YDUWWSSTDYBPOP-HJWRWDBZSA-N	249.317	3.517	0	1	BHAF	
CNC12C[C@@H]3CC(C)(C[C@@H](C1)c1ccccc13)C2	102918048	ZNIYFCIQSWTUJU-SCQRFTTHSA-N	241.378	3.810	0	1	BHAF	
CCC(=O)CC/C=C/C=C/C1=N[C@H](C)C=CC=C1	143670001	YHYHJUHRELVMJW-WCPNHCKHSA-N	243.350	3.814	0	1	BHAF	
Cc1nc(NC2CCCCC2)nc2ccccc12	299821612	GCXCEKAHFJFISO-UHFFFAOYSA-N	241.338	3.683	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@@H](CO)[C@@H]2CC1	2356322914	DESINCNMOXBQLZ-ZQDZILKHSA-N	222.372	3.633	0	1	BHAF	
CC1=C[C@H]2Cc3occc3C[C@H]2C(C)(C)C1	2356804008	AAEHWUCEENMLER-QWHCGFSZSA-N	216.324	3.987	0	1	BHAF	
[CH]1C=Cc2ccccc2N1Cc1ccccc1	2356853995	YCDCJFQPKIHUOC-UHFFFAOYSA-N	220.295	3.882	0	1	BHAF	
Cc1cccc2c1CC/C2=C\c1cccnc1	13610810	ORCOWTSQEFCEFC-GXDHUFHOSA-N	221.303	3.877	0	1	BHAF	in-vivo
C=C/C(C)=C/C[C@]1(C)C(C(=O)O)=CCC[C@H]1C	14717413	NHASXRPHDCXJBS-QSKJXDJHSA-N	234.339	3.956	0	1	BHAF	
CC[C@H](C)CCCCC[C@H](C)C(=O)O	15119684	IDEAYCCGKZRXTP-QWRGUYRKSA-N	200.322	3.704	0	1	BHAF	biogenic
C[C@H](CCN(C)C)c1ccc2cc(O)ccc2c1	28641899	DMMVIFXRTCFPHZ-GFCCVEGCSA-N	243.350	3.601	0	1	BHAF	
COc1cccc2nc(C3(F)CCCCC3)[nH]c12	587131823	CYFCBFPVLKKZKD-UHFFFAOYSA-N	248.301	3.700	0	1	BHAF	
CCCCCC=C[C@@H](C)CCOC(C)=O	2356705435	NSCSPGLXFSPKCQ-GFCCVEGCSA-N	212.333	3.712	0	1	BHAF	
Cc1ccc([C@H](C)CC[C@@H](O)C(C)C)c(O)c1	2356803204	WVCWCHNQEAVYAY-TZMCWYRMSA-N	236.355	3.601	0	1	BHAF	
C=C1CC[C@H](C(C)C)[C@H]2[C@H](CC)C(=O)C[C@@H]12	14618378	FEVSDGLWKNZTPF-GUIRCDHDSA-N	220.356	3.840	0	1	BHAF	biogenic
CN(C)[C@]12CCCC[C@@H]1CCc1ccccc12	26153368	CRRGPBAEOBRTMN-GDBMZVCRSA-N	229.367	3.580	0	1	BHAF	
CN[C@@]12CCCC[C@@H]1C[C@@H](C)c1ccccc12	29571805	LATMEMFFKNJSDV-IOASZLSFSA-N	229.367	3.799	0	1	BHAF	
c1ccc2[nH]c(-c3n[nH]c4ccccc34)cc2c1	33966683	NUHBBNDBRCHIDV-UHFFFAOYSA-N	233.274	3.711	0	1	BHAF	
COc1ccc([C@@H]2C=Cc3ccccc3O2)cc1	34606782	JXHYOOKEUGHIAH-INIZCTEOSA-N	238.286	3.842	0	1	BHAF	
CN1CC[C@@]23CCCC[C@@]12CCc1ccccc13	238746121	HRVFWGHILZIZQQ-SJORKVTESA-N	241.378	3.519	0	1	BHAF	
CC(=O)CCC=C(C)C[C@@H]1CC(C)(C)CC1=O	2356398371	QUPFTDWCMKYGQM-CYBMUJFWSA-N	236.355	3.697	0	1	BHAF	
CN1CCC(CC2C3CC4CC(C3)CC2C4)CC1	1772574913	DXNMCCSDYMBRPC-UHFFFAOYSA-N	247.426	3.791	0	1	BHAF	
C[C@@]1(c2ccccc2)CC(c2ccccc2)=NO1	5808536	LSLHDHRGDNWNDN-INIZCTEOSA-N	237.302	3.726	0	1	BHAF	
CC1=CC[C@@H]2[C@H](C1)[C@H](C(C)C)CC[C@@]2(C)O	13381722	INTCVZZCTDGTCB-GBJTYRQASA-N	222.372	3.776	0	1	BHAF	biogenic
CCc1cccc2c1[S@@](=O)c1ccccc1O2	26258698	LOTFYWFSOKVVMS-QGZVFWFLSA-N	244.315	3.521	0	1	BHAF	
C[C@H]1c2ccccc2C[C@H]2N[C@]1(C)c1ccccc12	28755917	YDZRGMYVEGSVTL-RZAIGCCYSA-N	249.357	3.906	0	1	BHAF	
COc1ccc(/C=C\c2ccccc2)cc1O	13607878	QVPJESIABXRENB-FPLPWBNLSA-N	226.275	3.571	0	1	BHAF	
CCN[C@]12CCCC[C@@H]1CSc1ccccc12	29571253	LOQRDENWDVBHOC-IUODEOHRSA-N	247.407	3.787	0	1	BHAF	
CC(C)=CCC/C(C)=C/CC/C(C)=C\C(N)=O	149765270	PIHKEQFAZPGFSS-UBWQMIQVSA-N	235.371	3.891	0	1	BHAF	
CC[C@H](C)c1nc2ccc(SC)cc2[nH]1	587956055	NNTHYILBLQGFMN-QMMMGPOBSA-N	220.341	3.798	0	1	BHAF	
CN[C@@]1(C(C)C)CC2[C@@]3(C)CC[C@@]2(C)CC1C3	2356823701	GNXHLXGNNKYMQQ-SVXVCFNTSA-N	235.415	3.837	0	1	BHAF	
FC(CNCc1ccc(F)cc1)=C1CCCC1	13611576	FBFMXHFSKITSRC-UHFFFAOYSA-N	237.293	3.713	0	1	BHAF	
CCCC[C@@H]1CCC[C@@]2(CC[C@@H](C)O2)O1	14917062	YJXRBYWOYOXYFN-UPJWGTAASA-N	212.333	3.641	0	1	BHAF	
COc1cccc(O)c1C/C=C/c1ccccc1	28712282	BYUQHQDBGGOQDU-WEVVVXLNSA-N	240.302	3.657	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@@]3(C)CC[C@@]12C[C@@H]3O	238752410	LKUBLENFVRHTGX-CYUUQNCZSA-N	222.372	3.754	0	1	BHAF	
CCCCC[C@@H](O)/C=C/c1ccc(F)c(F)c1	1911572021	MWACUVONMNDWDQ-WAFBPQNNSA-N	240.293	3.919	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@@]2(O)CC1	2356610010	RLQQLZPOMNLHJN-CFVMTHIKSA-N	220.356	3.840	0	1	BHAF	
CCCCC[C@@]1(C)CC(=O)c2ccc(O)cc2O1	27526266	QRFAYYPIRFDIBC-HNNXBMFYSA-N	248.322	3.696	0	1	BHAF	
COc1ccc2c(c1)Oc1ccccc1N=C2	64548460	NZLUXRIZQQZFQA-UHFFFAOYSA-N	225.247	3.552	0	1	BHAF	
CSCC(C)(C)c1nc2c(C)ccc(C)c2[nH]1	586968653	HCZRLLBVNFUOQP-UHFFFAOYSA-N	248.395	3.820	0	1	BHAF	
C[C@@H](F)[C@H](F)CCc1c[nH]c2ccccc12	1857561077	SAXHGJZELOOXSB-BXKDBHETSA-N	223.266	3.797	0	1	BHAF	
C=C(C)[C@H]1C=C2C(C=O)=CC=C2C(C)=CC1	5767247	XFQHUKCOVBABSG-GFCCVEGCSA-N	212.292	3.520	0	1	BHAF	biogenic
CC1=C[C@@H]2C(=C(C(=O)O)CC[C@H]2C(C)C)CC1	13381119	FUXWMRTVDHMJSZ-FZMZJTMJSA-N	234.339	3.790	0	1	BHAF	biogenic
C=C(c1c[nH]cn1)c1cccc2ccccc12	13757201	RADFITYEEZIPNJ-UHFFFAOYSA-N	220.275	3.624	0	1	BHAF	in-vivo
Cc1ccc(C)c(SCC(=O)C(F)(F)F)c1	13859420	JKRYKEMMYIKOOZ-UHFFFAOYSA-N	248.269	3.527	0	1	BHAF	
CCCCCC[C@@H](C)Cc1nccnc1OC	26673487	CADMFFVLXVMIIR-GFCCVEGCSA-N	236.359	3.634	0	1	BHAF	
Nc1c2c(nc3cccc(Cl)c13)[C@@H]1CC[C@@H]2C1	101239479	KDPXEJGRLUVMJN-HTQZYQBOSA-N	244.725	3.835	0	1	BHAF	
CCn1c(-c2ccccc2)cc2c1CCC2	204894588	PJNJEPFTEPGAJF-UHFFFAOYSA-N	211.308	3.664	0	1	BHAF	
C[C@H]1CCC[C@@](C)(O)C[C@@H]2[C@H](CC1)C2(C)C	238734891	ACQCKSNSPHLAFM-RMRHIDDWSA-N	224.388	4.000	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cccc(C)c2[nH]1	586886799	DBQWZEVMAGLAOV-QMTHXVAHSA-N	214.312	3.775	0	1	BHAF	
CC(C)[C@H]1CC[C@H](C)c2c(O)cc(CO)cc21	2356438288	ZCURUYBTMVDZFO-CMPLNLGQSA-N	234.339	3.521	0	1	BHAF	
c1cc(-c2ccc3c[nH]nc3c2)c2cc[nH]c2c1	1240557105	NTRGGWDIDVNWMQ-UHFFFAOYSA-N	233.274	3.711	0	1	BHAF	
CCCN1CCC=C(c2c[nH]c3ccccc23)C1	26817615	UXBCZTIDAKUBGP-UHFFFAOYSA-N	240.350	3.667	0	1	BHAF	
Cc1coc2cc(-c3cccc(F)c3)oc(=O)c12	45358813	ICYWAYFHBJGYDV-UHFFFAOYSA-N	244.221	3.501	0	1	BHAF	
C[C@@H]1c2ccoc2[C@H]2O[C@H]3C[C@]1(C)[C@]2(C)[C@@H]3C	238745480	KFDGTJQBMXHJLJ-SQHAMXNJSA-N	232.323	3.889	0	1	BHAF	
CC(=O)CC[C@@H]1[C@@H]([C@H]2CCC=C2C)C1(C)C	2356441484	UQXZKPUZCLFORX-BFHYXJOUSA-N	220.356	3.984	0	1	BHAF	
CC(C)=C[C@@H](O)C[C@H](C)c1ccc(C)cc1	13377432	NRBFEAZFHRHFFQ-DZGCQCFKSA-N	218.340	3.816	0	1	BHAF	endogenous,in-man
CC1=CC(=O)C2=C(C)CC[C@@H]3[C@H]([C@@H]12)C3(C)C	14856249	ITPIONJPPNGUJE-DDTOSNHZSA-N	216.324	3.514	0	1	BHAF	biogenic
CCCCC(=O)c1cc2c3c(cccc3n1)CC2	587213015	FQGJWHOLZKZRAR-UHFFFAOYSA-N	239.318	3.706	0	1	BHAF	
C[C@@H]1C=CC[C@]2(C)C=C[C@H](C(C)(C)O)C[C@H]12	2356330323	IGDPRNLDNSDIJI-QVHKTLOISA-N	220.356	3.552	0	1	BHAF	
C[C@@H](c1ncc[nH]1)c1cccc2ccccc12	13450510	WCIDBLYFACGZGW-LLVKDONJSA-N	222.291	3.715	0	1	BHAF	
NC[C@H]1C[C@@H]1c1ccc(-c2ccc(F)cc2)cc1	34893383	BZFIBHPMGCECTH-GDBMZVCRSA-N	241.309	3.555	0	1	BHAF	
CN(C)CC1(c2cccc(F)c2)CCCCC1	66156762	YEMZPAKBIRTBDG-UHFFFAOYSA-N	235.346	3.589	0	1	BHAF	
C[C@H](CCC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	104378338	GDGGAJNITUJKMP-ZOYMKACTSA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
CCCN(CCC)[C@@H]1C[C@@H]1c1ccccc1F	13755480	IDIJMAQOOZIZRH-UKRRQHHQSA-N	235.346	3.804	0	1	BHAF	
CC(C)=C1CC2=C(C)CCC[C@@]2(C)C[C@@H]1O	15206897	RCQMVGPZIQPQEA-GJZGRUSLSA-N	220.356	3.984	0	1	BHAF	biogenic
[C-]#[N+]c1cccc(/C=C/c2cccnc2)c1	473114656	OGYHVKPIVGXTMF-BQYQJAHWSA-N	206.248	3.803	0	1	BHAF	
c1cc2c3c(cc(C4CCC4)nc3c1)CC2	587214692	WGMKNKYYMUYTGD-UHFFFAOYSA-N	209.292	3.601	0	1	BHAF	
CCCCCC(=O)[C@H]1C[C@H]2C=C[C@@]1(C)C2	2356561301	XYGDXLLRBBBIBF-BZPMIXESSA-N	206.329	3.738	0	1	BHAF	
Cc1ccc2c(c1)CC[C@](C)(O)CC[C@@]1(C)C[C@H]21	13375844	YMVTUORVSXOVHO-IKGGRYGDSA-N	244.378	3.966	0	1	BHAF	biogenic
CC1(C)CCC[C@@]1(C)[C@@H]1C=C[C@](C)(O)CC1	13412359	SGAVEYGCXUNESW-SNPRPXQTSA-N	222.372	3.920	0	1	BHAF	biogenic
CC(C)C1=C[C@@]2(CC[C@@](C)(NC=O)C2)[C@@H](C)CC1	35067166	NLOXORYANZABDO-NUEKZKHPSA-N	249.398	3.674	0	1	BHAF	
CCCOc1ccc(Oc2ccc(O)cc2)cc1	40913777	FNAGBMSBTIDLJO-UHFFFAOYSA-N	244.290	3.973	0	1	BHAF	in-vivo
COc1ccccc1/C=C/c1ccccc1O	141145879	ACYGWOLSXFBZMR-ZHACJKMWSA-N	226.275	3.571	0	1	BHAF	
C[C@@H]1CC[C@@]23C[C@](C)(O)[C@@H]2CC(C)(C)C[C@@H]13	166349884	GHPSJEGKNWWAPB-SQLGEJSKSA-N	222.372	3.610	0	1	BHAF	
Cc1ccc([C@H](C)C[C@H](O)CC(C)C)cc1	2356393356	HVJMKUFWPYHXCM-UKRRQHHQSA-N	220.356	3.896	0	1	BHAF	
C[C@@H]1CCC(=CC(C)(C)O)[C@@H]2[C@H](C)CC[C@H]12	2356526725	IYMKPZYUEJPWPC-OXHZDVMGSA-N	222.372	3.776	0	1	BHAF	
CC=Cc1ccc(O)c(-c2cc(O)ccc2O)c1	2356754725	URTHKYTYKNFMMZ-UHFFFAOYSA-N	242.274	3.504	0	1	BHAF	
CC1(C)CCc2c(nc3cccc4c3c2CC4)C1	587216030	YQBWSDKBYTWYIP-UHFFFAOYSA-N	237.346	3.848	0	1	BHAF	
CC=CC(=O)Oc1cc(C)ccc1C(C)C	2356662744	FGMNYSJXCIZEOU-UHFFFAOYSA-N	218.296	3.600	0	1	BHAF	
CCCCC[C@]1(C)CC(=O)c2ccc(O)cc2O1	27526268	QRFAYYPIRFDIBC-OAHLLOKOSA-N	248.322	3.696	0	1	BHAF	
CN(C)C[C@@H]1C[C@H]1c1cccc2ccccc12	28960239	AEWPIBYOYSOWAL-XJKSGUPXSA-N	225.335	3.505	0	1	BHAF	
Fc1cc(F)cc(-c2nc3ccccc3o2)c1	28964520	GMRMQJXLWHZMFL-UHFFFAOYSA-N	231.201	3.773	0	1	BHAF	
CC1=C[C@]2(C)C(=O)C[C@H]3[C@H](C)CC[C@]32[C@H]1C	238771471	WTORUARCGCVBSQ-ONAWRNRTSA-N	218.340	3.594	0	1	BHAF	
C[C@@]1(Cc2ccco2)CC[C@H](c2ccoc2)O1	2356509714	YIVXUDBTOBDAFL-KGLIPLIRSA-N	232.279	3.726	0	1	BHAF	
COc1ccc2nc(-c3ccco3)ccc2c1	40379111	FSXQZMDPXMCIMO-UHFFFAOYSA-N	225.247	3.503	0	1	BHAF	
c1ccc([C@@H]2[C@H]3CCc4ccccc4[C@@H]32)nc1	100053282	JHBQXWSFWPQARO-BPUTZDHNSA-N	221.303	3.525	0	1	BHAF	
CC1=CC[C@H]2[C@H]1C[C@@H](C(C)C)CC[C@@]2(C)O	238752671	QVIBTAJDNXPTIG-ZQDZILKHSA-N	222.372	3.776	0	1	BHAF	
CC1=CC[C@@H](C(C)C)[C@@H]2C[C@H](CO)CC[C@@H]12	238786266	IUKILOCAVNUEAC-QPSCCSFWSA-N	222.372	3.633	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@H](O)C(C)(C)[C@@]23C[C@H]13	2356379380	RKYRGTWYGYBPFJ-OSRDXIQISA-N	220.356	3.530	0	1	BHAF	
COc1ccc(/C=C\c2cccc(OC)c2)cc1	15117301	PMVLDTCOUSZSHN-SREVYHEPSA-N	240.302	3.874	0	1	BHAF	biogenic,in-vitro
Oc1ccc(CCc2ccccc2Cl)c(O)c1	95562140	ZKIBQXUXFPCWBB-UHFFFAOYSA-N	248.709	3.536	0	1	BHAF	
CC(C)(O)[C@@H]1CC[C@]2(C)CCCC[C@H]2C1	2356583143	LFQGNVKBZIFOGJ-DYEKYZERSA-N	210.361	3.754	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@H]2C[C@H]1O	2356600210	DMKWBQROHUFGFK-CJYSPXJISA-N	220.356	3.696	0	1	BHAF	
CC[C@@H](C)Nc1nc(C)nc2sc(C)cc12	224155	FZWTVQIBVUZVED-SSDOTTSWSA-N	235.356	3.519	0	1	BHAF	
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1C=O	15148096	CYNSNODFYUHSCP-GZBFAFLISA-N	220.356	3.984	0	1	BHAF	biogenic
CC(C)=CCC[C@@](C)(O)CCC[C@H](C)CCO	15214223	SYBUVPWLOMFION-LSDHHAIUSA-N	242.403	3.673	0	1	BHAF	biogenic
Cc1[nH]c2cc(F)ccc2c1N1CCCCCC1	587636809	JRARYMZHKCOHKV-UHFFFAOYSA-N	246.329	3.996	0	1	BHAF	
CC1=CCC[C@]2(C)C[C@@H](O)C(=C(C)C)C[C@@H]12	2356781588	IXLZPSFSDTUQHG-RRFJBIMHSA-N	220.356	3.840	0	1	BHAF	
CCCN1CCC[C@]2(c3ccccc3)CC[C@@H]1C2	101193899	DVNGCJDPAPEETC-SJORKVTESA-N	243.394	3.983	0	1	BHAF	
Clc1cnc2[nH]c(C3CCC3)nc2c1Cl	586883233	AIHKUIHMSPIECJ-UHFFFAOYSA-N	242.109	3.532	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@H]1c1cccc(OC)c1	28108607	CDBKSCIFVPNNTJ-JKSUJKDBSA-N	247.382	3.673	0	1	BHAF	
Cc1ccc(-c2cnc3cccnc3c2)cc1C	28826034	MGYKFCHFCGICOX-UHFFFAOYSA-N	234.302	3.914	0	1	BHAF	in-vivo
CC1=CC[C@H]2[C@@H](C1)[C@H](C(C)C)CC[C@H]2CO	2356759364	ISYMMRJPYSWIPM-XQLPTFJDSA-N	222.372	3.633	0	1	BHAF	
CC(C)=C1CC2=C(C)CCC[C@]2(C)C[C@H]1O	15206903	RCQMVGPZIQPQEA-HUUCEWRRSA-N	220.356	3.984	0	1	BHAF	biogenic
CCN[C@]12CCCC[C@@H]1CCc1ccccc12	29569754	DGBRGNBZYYODJF-GDBMZVCRSA-N	229.367	3.628	0	1	BHAF	
C=C/C=C/CCCC(=O)CCCCCC(=O)O	59724741	UXENOYDVEDGVDV-ONEGZZNKSA-N	238.327	3.503	0	1	BHAF	
C[C@H]1[C@H](NC2CCCCC2)C[C@@H]2C[C@H]1C2(C)C	66156334	HBBHSCFPAWVREO-AYRXBEOTSA-N	235.415	3.979	0	1	BHAF	
CC1=CCC[C@]2(C)CC[C@H](C(C)C)[C@H](O)[C@@H]12	238746776	AYZYZJOUAKBQDF-APIJFGDWSA-N	222.372	3.776	0	1	BHAF	
CC(C)C1=C[C@@H](O)[C@@H](C)CC=C[C@@H](C)CC1	2356524280	XRVZBFPDDHAYMH-VNHYZAJKSA-N	222.372	3.942	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@H]2C[C@@H]1O	2356600212	DMKWBQROHUFGFK-QOWREQOWSA-N	220.356	3.696	0	1	BHAF	
Cc1ccc([C@@H](C)CCCC(C)(C)O)c(O)c1	2884	TYUONEYWBLIYDF-LBPRGKRZSA-N	236.355	3.745	0	1	BHAF	biogenic
O=c1ccc(CCC2CCCCC2)c(Cl)o1	13801310	PEZSJIURMXBBJF-UHFFFAOYSA-N	240.730	3.806	0	1	BHAF	
C[C@H]1CC[C@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@@H]1C3	100193254	GGHMUJBZYLPWFD-QIRZIZBZSA-N	222.372	3.610	0	1	BHAF	in-vitro
CC(C)(Cl)c1nc2cccc(Cl)c2[nH]1	587007647	BXWZQJCWOVSMHH-UHFFFAOYSA-N	229.110	3.690	0	1	BHAF	
CC(=CCCC(C)C)c1ccc(C(=O)O)cc1O	2356578611	YAENMSVMNMYVJB-UHFFFAOYSA-N	248.322	3.930	0	1	BHAF	
CC(=C[C@@H]1CC2=C(C)CC[C@H]2[C@@H](C)C1)C(=O)O	2356643188	KEXOELSKKSEHAC-UHTWSYAYSA-N	234.339	3.790	0	1	BHAF	
CC1=C(CO)C[C@]2(C)CCCC(C)(C)[C@@]12C	2356655927	BIFZUAUNLQJSKA-LSDHHAIUSA-N	222.372	3.922	0	1	BHAF	
C[C@@H]1C=CC=C2Cc3occc3CC[C@]21C	13308983	LSMXMJRDVCMVEX-ABAIWWIYSA-N	214.308	3.907	0	1	BHAF	biogenic
CC1=C[C@]2(CC1)[C@@H](C)CC[C@@H](C(C)C)[C@H]2NC=O	26834251	GXPBEWRNMRAUIQ-CAOSSQGBSA-N	249.398	3.530	0	1	BHAF	
CC(C)[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H]([C@H]31)[C@@]42C	96014286	XBWACJDEQIZTPR-NKHBCJIASA-N	204.357	3.961	0	1	BHAF	
CC1=N[C@@H](c2c(C)sc3ccccc23)C=CN1	218952459	IGBNASUAJQRZFD-GFCCVEGCSA-N	242.347	3.786	0	1	BHAF	
CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3	587521207	DIXRHZASTJYJDY-MRXNPFEDSA-N	244.334	3.699	0	1	BHAF	
CCc1c(-c2cccnc2)[nH]c2cc(F)ccc12	587636921	PRSCTNLPPPKTPQ-UHFFFAOYSA-N	240.281	3.931	0	1	BHAF	
CCC[C@@H](c1nc2cc(OC)ncc2[nH]1)C(C)C	587955987	MYSGSKNPBBKFQX-SNVBAGLBSA-N	247.342	3.506	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1F	13755482	IDIJMAQOOZIZRH-DZGCQCFKSA-N	235.346	3.804	0	1	BHAF	
Cc1ccc2c(c1)CC[C@](C)(O)CC[C@@]1(C)C[C@@H]21	14859013	YMVTUORVSXOVHO-ULQDDVLXSA-N	244.378	3.966	0	1	BHAF	biogenic
CC1=C[C@@H]2C(=C(C)C[C@H](O)[C@H]2C(C)C)CC1	14917979	VAVHKURKIQXFJX-ILXRZTDVSA-N	220.356	3.696	0	1	BHAF	biogenic
COc1cc2c(cc1C)[C@H](C(C)C)[C@@H](O)C[C@@H]2C	14918337	SGRUYFUVJPWQIO-FSBGKCOPSA-N	248.366	3.611	0	1	BHAF	biogenic
CC[C@]1(C)C[C@@H]1c1nc2cc(C)cc(F)c2[nH]1	586886959	DUQSQNAJVDIDJV-YMTOWFKASA-N	232.302	3.914	0	1	BHAF	
Clc1ccc(-c2ccc3c[nH]nc3c2)cc1	1857746941	YDLGSXVFODWSQS-UHFFFAOYSA-N	228.682	3.883	0	1	BHAF	
CC1=CC[C@@H]2C(C(=O)O)=CC[C@H](C(C)C)C[C@H]12	2356526610	DFXLQBQZXVPYFY-OUCADQQQSA-N	234.339	3.646	0	1	BHAF	
COc1ccc(/C=C\c2ccsc2)cc1	13553962	CUEHRJUKAGPKGZ-IHWYPQMZSA-N	216.305	3.927	0	1	BHAF	
CC(=O)CC/C=C(/C)C[C@H]1CC(C)(C)CC1=O	96911587	QUPFTDWCMKYGQM-GXJZLWQJSA-N	236.355	3.697	0	1	BHAF	
COc1cc2c(cc1C)[C@@](O)(C(C)C)CC[C@H]2C	13381433	HGNDGYPWLHDLPF-BZNIZROVSA-N	248.366	3.745	0	1	BHAF	biogenic
CC1=C[C@H]2Cc3occc3C(C)(C)[C@H]2C=C1	15222117	SQAVUCKXPOTTEA-RYUDHWBXSA-N	214.308	3.862	0	1	BHAF	biogenic
CCCOc1ccc(OCCC(C)C)cc1	103212048	VZYMDDWPGUOONY-UHFFFAOYSA-N	222.328	3.900	0	1	BHAF	
Cc1c(Cl)cccc1NC1=N[C@H](C)CC1	143495514	WFNVPFZXHOWDNP-MRVPVSSYSA-N	222.719	3.641	0	1	BHAF	
Oc1cccc(-c2cc3cc(O)ccc3o2)c1	473114038	LNNTTYVQVJSCBS-UHFFFAOYSA-N	226.231	3.511	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@@H]2C(=O)C1	2356578007	ABZDLUFXOKZOMD-LNSITVRQSA-N	218.340	3.904	0	1	BHAF	
O=N/C=C1\C=CC=CN1CCCc1ccccc1	141045954	JLDPUANBWZZEPY-FYWRMAATSA-N	240.306	3.613	0	1	BHAF	
CCN1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Cl)cc1)C2	169372022	BYKWZRJIQJVYGD-MGPQQGTHSA-N	235.758	3.680	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2ccc(Cl)nc2[nH]1	587967512	PGQMNOZJRTVINC-RKDXNWHRSA-N	247.729	3.681	0	1	BHAF	
C[C@H]1c2ccoc2[C@@H]2O[C@@H]3C[C@@H](C)[C@]2(C)[C@@]31C	2356541875	YWGVXUNGKBSLEW-ZSTLNGEHSA-N	232.323	3.889	0	1	BHAF	
c1ccc(-c2cc3nc4ccccc4nc3[nH]2)cc1	13492983	JYNNROJYCARHFN-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)[C@@H]3C[C@@H](C)[C@@]2(CC1)O3	15153852	DQYKEJCVAMRGAR-CAEXGNQWSA-N	220.356	3.792	0	1	BHAF	
CC1(C)ON=C(CC23CC4CC(CC(C4)C2)C3)O1	96285650	BJQAAMLKTYNMLW-UHFFFAOYSA-N	249.354	3.689	0	1	BHAF	
C1=C(/C=C\c2cccnc2)COc2ccccc21	103232360	MARJFOTUSREHEO-FPLPWBNLSA-N	235.286	3.571	0	1	BHAF	
CC1(C)C[C@@]2(O)[C@]3(C)CCC[C@]2(C)[C@@H]1CC3	104378911	QOXUIQMPPDIDGM-NMFUWQPSSA-N	222.372	3.754	0	1	BHAF	in-man
COc1cccc(/C=C/c2ccccc2C#N)c1	169028468	SYZOESSYINYKML-MDZDMXLPSA-N	235.286	3.737	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3[C@H]1[C@@]2(C)C=C[C@@]3(C)O	2356662007	YETXRPZLDDRIAG-UGYDUONOSA-N	234.383	3.632	0	1	BHAF	
Cc1cc(C)c(CCN2CCC[C@@H]2C)c(C)c1	29131287	QBCRKTLSCLLIPY-HNNXBMFYSA-N	231.383	3.639	0	1	BHAF	
C/C1=C\[C@H]2[C@@H](CC/C(C)=C/CC1)[C@]2(C)C(=O)O	238773001	KEEBORUBZJYTIL-JIPVKGMLSA-N	234.339	3.790	0	1	BHAF	
Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1	587211288	ONOXXNYNLSNFNX-UHFFFAOYSA-N	246.313	3.583	0	1	BHAF	
COC1=CCC=C(C=Cc2ccc(OC)cc2)O1	2356552945	IIQCDGLGMWLKBS-UHFFFAOYSA-N	244.290	3.500	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CCC(C)=CCC1)[C@]2(C)C(=O)O	2356645938	KEEBORUBZJYTIL-NFAWXSAZSA-N	234.339	3.790	0	1	BHAF	
CCCC(=O)O[C@H](C)[C@@H](C)[C@H](C)CCC	2356442584	IYALVKCBXNBPSJ-GRYCIOLGSA-N	214.349	3.791	0	1	BHAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@@H](C(C)(C)O)CC1	6037458	LGOFSGDSFQNIAT-OBJOEFQTSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CC[C@H](C)[C@H]1C[C@@H](Cc2ccccc2)SC1=O	13737348	BGCYZMXAVKUSEX-IACUBPJLSA-N	248.391	3.924	0	1	BHAF	
C/C=C(C)/C=C(/C)c1oc(OC)c(C)c(=O)c1C	14658857	IDTMJMBDTGUTDU-ZWOQCJTASA-N	248.322	3.635	0	1	BHAF	
CC(=O)CC[C@@H](c1cc(C)ccc1O)C(C)C	14696959	UFWXDPOVAJYDEP-CYBMUJFWSA-N	234.339	3.809	0	1	BHAF	biogenic,in-vitro
CC1=C2C[C@@]3(C)C(=CCC[C@H]3C)C=C2OC1=O	15200763	ZRQPXMOBGPJKMQ-RFAUZJTJSA-N	230.307	3.510	0	1	BHAF	biogenic
CC1=C[C@](C)(CO)[C@@]23CCC[C@@]12[C@H](C)CC3	38276587	PKIVAOLKVPUUIW-REBRKWNGSA-N	220.356	3.532	0	1	BHAF	biogenic,in-vitro
C[C@@]12CC3C[C@@]1(C)CC3(NCc1cccs1)C2	101673482	AELLQSWFXILZQL-IFFKYPLHSA-N	247.407	3.807	0	1	BHAF	
Fc1cc(F)c2c(c1)[nH]c1ccc(F)cc12	653786724	WXRYBSWAXONSED-UHFFFAOYSA-N	221.181	3.738	0	1	BHAF	
C[C@H]1CCC=C2CC[C@H](C(C)(C)O)C[C@]21C	15201060	MQWIFDHBNGIVPO-WHOFXGATSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
C[C@H]1C=C2[C@@H](CC1)[C@H](C)CC[C@H]2[C@@H](C)C(=O)O	59207079	NODQSJBGHNTDNJ-KVSVUVNWSA-N	236.355	3.726	0	1	BHAF	in-vitro
c1coc(-c2[nH]ccc3c4ccccc4nc2-3)c1	102193985	IVFJMBXJAFLXMR-UHFFFAOYSA-N	234.258	3.928	0	1	BHAF	
C1=Cn2ccc3c4ccccc4nc-3c2CC1	238766934	OVWZWQKZBZOHKQ-UHFFFAOYSA-N	220.275	3.558	0	1	BHAF	
C[C@H]1CC[C@]2(C)C[C@@]23[C@H](O)CC(C)(C)C[C@H]13	238768635	XCYFEDHSZQHRCC-PGKPSXLWSA-N	222.372	3.610	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@@H]2CC=C(C)[C@@H]21)C(=O)O	2356538481	FUHPCDQQVWLRRY-NZPIUUIZSA-N	234.339	3.646	0	1	BHAF	
CC1=CC2=C(CC(C)(C)C2)[C@@H](C)CC[C@H]1O	2356797439	NXTJUHGOSJNXRS-IINYFYTJSA-N	220.356	3.840	0	1	BHAF	
CCCN(C(C)C)[C@@H]1CCc2c(F)cccc2C1	13760021	LHEQMLMJFATZEM-CQSZACIVSA-N	249.373	3.803	0	1	BHAF	
Cc1ccc([C@]2(C)CC[C@@H](C(C)C)O2)o1	14723375	OTCYDBRXABTHJM-AAEUAGOBSA-N	208.301	3.638	0	1	BHAF	biogenic
CC1=C2C[C@@]3(C)C(=CCC[C@@H]3C)C=C2OC1=O	15200764	ZRQPXMOBGPJKMQ-BJOHPYRUSA-N	230.307	3.510	0	1	BHAF	biogenic
CCN[C@@]12CCCC[C@H]1CSc1ccccc12	29571255	LOQRDENWDVBHOC-WFASDCNBSA-N	247.407	3.787	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1-c1cccnc1	587636830	KQUMBCARBWBPLW-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CCC(C)=CCC1)[C@@]2(C)C(=O)O	2356645939	KEEBORUBZJYTIL-UMVBOHGHSA-N	234.339	3.790	0	1	BHAF	
CC1(C)C[C@H]2[C@H]1CC[C@]1(C)CCC[C@]2(O)C1	100067612	FUQAYSQLAOJBBC-DHMWGJHJSA-N	222.372	3.754	0	3	BHAF	in-man
CCCCCc1ccc([C@H]2CCCN2C)cn1	13819453	BDIDSZSQSQZXNC-OAHLLOKOSA-N	232.371	3.581	0	1	BHAF	
FC(F)(F)P1[C@@H]2C=C[C@H](CC2)C1(F)F	102949933	HLSBOFLVTDNIAT-BOJIGUBWSA-N	230.116	3.929	0	1	BHAF	
CC1(C)CCC=C2C[C@H](CO)C(C)(C)[C@]21C	238733843	CDVKOPSZZHDBPE-IUODEOHRSA-N	222.372	3.778	0	1	BHAF	
CC[C@@H](C)c1nc2ccc(OC(C)C)cc2[nH]1	587954681	AUJDGNYTFCBVIL-SNVBAGLBSA-N	232.327	3.864	0	1	BHAF	
C[C@H]1CC[C@@]2(C)C(C)(C)[C@H]3CC[C@@]2(O)[C@H]1C3	2356525687	YHYHTHCGKWIVMS-ZCRGAIPPSA-N	222.372	3.610	0	1	BHAF	
Cc1cc2occ(C)c2cc2c(C=O)ccc1-2	15160884	FBLXVRUJNOWDFB-UHFFFAOYSA-N	224.259	3.967	0	1	BHAF	biogenic
CCCN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	27653487	ZFMWPFRYIWXMAF-LXZKKBNFSA-N	241.378	3.868	0	1	BHAF	
CC1=C[C@H]2[C@@H](CC1)[C@@](C)(O)CCCC2(C)C	967536	BBAMLNIPVMLTSQ-IPYPFGDCSA-N	222.372	3.920	0	1	BHAF	
COc1cccc2cc3n(c12)CCc1ccccc1-3	45284110	STAZRJWOCDUXES-UHFFFAOYSA-N	249.313	3.873	0	1	BHAF	
CC1=C2[C@@H](/C=C(\C)C(=O)O)CC[C@H](C)[C@H]2CC1	59778523	FEBNTWHYQKGEIQ-LKGNJYDDSA-N	234.339	3.790	0	1	BHAF	
Cc1nc2cccc3c2c(c1CC1CC1)CC3	587214717	WUYFJCROHDFIDD-UHFFFAOYSA-N	223.319	3.594	0	1	BHAF	
CCC[C@H](c1nc2ccc(CO)cc2[nH]1)C(C)C	587956529	SGNQGMDAKWEABG-LBPRGKRZSA-N	246.354	3.595	0	1	BHAF	
CC1=C[C@H]2[C@H](O)[C@@](C)(CCCC2(C)C)CC1	2356598540	TWQNTLGPLUWKGL-YDHLFZDLSA-N	222.372	3.920	0	1	BHAF	
C=C1C=C[C@@H](C(C)C)CC(=O)C(=C)C=CC1	3646120	WANYVSMIXZOJBS-CQSZACIVSA-N	216.324	3.846	0	1	BHAF	biogenic
C=C(C)[C@@H]1CC[C@]2(C)CC(=O)[C@H](C)CC[C@@H]12	13432065	YIYTUCKPVQWDEN-UKTARXLSSA-N	220.356	3.984	0	1	BHAF	biogenic
Oc1cccc(-c2ccc3cc(O)ccc3c2)c1	13644996	VHWBXEUHUQDHDH-UHFFFAOYSA-N	236.270	3.918	0	1	BHAF	in-vivo
CCCN1CCC[C@@H](c2ccc(C)cc2C)C1	13782151	XMWBOCKXCDCQOT-OAHLLOKOSA-N	231.383	3.893	0	1	BHAF	in-vivo
Cc1cc2c3c(coc3c1O)C(=O)C[C@H]2C(C)C	14439234	YZLPKNSDAQJRQW-VIFPVBQESA-N	244.290	3.773	0	1	BHAF	biogenic
CC(C)(C)C1=CSC2=N[C@@H]3CCCC[C@@H]3N12	40738062	JHGPUVYVPAWRDX-ZJUUUORDSA-N	236.384	3.604	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)CCC[C@@]2(O)C1	100781835	FUQAYSQLAOJBBC-CTHBEMJXSA-N	222.372	3.754	0	1	BHAF	endogenous,in-man
C[C@@H]1CC[C@]2(C)[C@H](C)C(=CCO)CC[C@]12C	2356510248	RMIRDGFNJKHARM-QHSBEEBCSA-N	222.372	3.778	0	1	BHAF	
CC1=CC[C@H]2C1=C[C@H](C(C)(C)O)CC[C@H]2C	15264350	KQNWPYPLDZMZSG-RAIGVLPGSA-N	220.356	3.696	0	1	BHAF	
O=C(CCCCc1ccccc1)C(F)(F)F	40865941	DADSUXQBIVBULL-UHFFFAOYSA-N	230.229	3.531	0	1	BHAF	
C/C=C/c1ccc(OC(=O)[C@H](C)CC)cc1	85541036	QVAWDXCSFUFEAT-DUMNWFOQSA-N	218.296	3.671	0	1	BHAF	biogenic,in-vitro
CC(C)c1[nH]c2cccc(F)c2c1-n1cccn1	587635376	GHKZIYZBTNWEDX-UHFFFAOYSA-N	243.285	3.616	0	1	BHAF	
Oc1cc(Nc2ccccc2)cc2cccnc12	36380958	WDHZRROLBWFALG-UHFFFAOYSA-N	236.274	3.684	0	3	BHAF	
CN[C@@]12CCCC[C@@H]1CC(C)(C)c1ccccc12	26147456	YTKCGNXANRDIGC-DYVFJYSZSA-N	243.394	3.973	0	1	BHAF	
Oc1ccc([C@@H]2C[C@H]3C[C@H]2[C@@H]2C=CC[C@@H]32)cc1	250265766	WWFVMVARNSHTHZ-SLZITWOASA-N	226.319	3.708	0	1	BHAF	
CC1(C)CCCc2c1nc1cccc3c1c2CC3	587214261	QANCLGKQSJPVEF-UHFFFAOYSA-N	237.346	3.947	0	1	BHAF	
Fc1ccc2[nH]c3c(F)cc(F)c(F)c3c2c1	653687500	XZAPZPBJWAHXBJ-UHFFFAOYSA-N	239.171	3.878	0	1	BHAF	
C[C@@H]1CC(=O)CC2=CC[C@@H]3[C@H](C3(C)C)[C@@]21C	2356552393	NYVDTZCCCWPPPG-QGMIFYJMSA-N	218.340	3.594	0	1	BHAF	
COc1cc2[nH]c3c(OC)cccc3c2cc1C	13334734	BOWHMVWINBRMRI-UHFFFAOYSA-N	241.290	3.647	0	1	BHAF	biogenic
CC1=C2C[C@H](/C=C/C(=O)O)CC[C@@]2(C)CCC1	14584830	CFUISBDJXHZKJK-OBLPCYNLSA-N	234.339	3.934	0	1	BHAF	
CN(C)C[C@@H]1C[C@@H]1c1ccc2ccccc2c1	28960428	HCOYSMZXQIWWOK-JKSUJKDBSA-N	225.335	3.505	0	1	BHAF	
CCCc1c(CC)nc2cccc3c2c1CC3	587214558	UPTDKLMLTYNEBH-UHFFFAOYSA-N	225.335	3.848	0	1	BHAF	
CC(=C[C@@H]1CC2=C(C)CC[C@H]2[C@H](C)C1)C(=O)O	2356643187	KEXOELSKKSEHAC-RTXFEEFZSA-N	234.339	3.790	0	1	BHAF	
CCC1=CCCC(C)(C)[C@@]12C=C[C@H](C)O2	38634836	NHJSLVJXXDHDRV-SMDDNHRTSA-N	206.329	3.857	0	1	BHAF	endogenous,in-man
CC(=O)CC[C@@H]1[C@@H]([C@@H]2CCC=C2C)C1(C)C	95918933	UQXZKPUZCLFORX-MGPQQGTHSA-N	220.356	3.984	0	1	BHAF	biogenic,in-vitro
CC(C)[C@@H]1CC[C@]2(C)[C@H](C)CC=C3C(=O)O[C@@H]1[C@@H]32	2356716310	JRAJNCLSYAFYFH-SOMVNPSHSA-N	248.366	3.567	0	1	BHAF	
C=C(C)[C@H]1CC[C@]1(C)CCOC(=O)C(C)C	14451175	FVDDHXILHJBLOF-TZMCWYRMSA-N	224.344	3.568	0	1	BHAF	biogenic
C[C@@]12Cc3ccccc3[C@@H](C=N1)c1ccccc12	28757773	MZHFRMGXHVOIHQ-WBVHZDCISA-N	233.314	3.674	0	1	BHAF	
O=C(Nc1ccccc1)[C@@H]1[C@@H]2/C=C/CCCC[C@@H]21	169294852	QAUWUDWLPNVUBH-OLBQWMHCSA-N	241.334	3.618	0	1	BHAF	
C(=C1\CCc2ccccc21)\c1cccnc1	13535826	WDSJJUYCBHIJRT-GXDHUFHOSA-N	207.276	3.568	0	1	BHAF	in-vivo
Cc1cccc(-c2ccc3ccc(C)nc3n2)c1	28826038	RJHUNTTZZMJQOV-UHFFFAOYSA-N	234.302	3.914	0	1	BHAF	in-vivo
COC(=O)CCC[C@H](C)CCCC(C)C	32223472	JSIQXPWLHVJAQU-GFCCVEGCSA-N	214.349	3.792	0	1	BHAF	
CN[C@]12CCCC[C@@H]1C[C@H](C)c1ccccc12	36294143	LATMEMFFKNJSDV-WOSRLPQWSA-N	229.367	3.799	0	1	BHAF	
CCCCC/C=C/C=C/C=C/C(=O)N1CCCC1	66077461	JWOSQNYJGWMFTO-NRWMFWRASA-N	247.382	3.858	0	1	BHAF	
Cc1cccc(C)c1-c1ccc2nc(O)[nH]c2c1	1857640811	PDIIMAKKUFJOJR-UHFFFAOYSA-N	238.290	3.552	0	1	BHAF	
CC=C(C)C=C(C)c1oc(=O)c(C)c(OC)c1C	2356532253	IFHBFWLMLSPISM-UHFFFAOYSA-N	248.322	3.635	0	1	BHAF	
COc1cc(N)c2[nH]c3c(C)ccc(C)c3c2c1	1633348	DDDHCEHBVIIZHW-UHFFFAOYSA-N	240.306	3.529	0	1	BHAF	
C[C@H]1CC/C(=C\C(C)(C)O)[C@@H]2[C@@H](C)CC[C@H]12	59778528	IYMKPZYUEJPWPC-ULKFAFIRSA-N	222.372	3.776	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@]12CC[C@]3(C)O	100044836	SVURIXNDRWRAFU-MYYUVRNCSA-N	222.372	3.610	0	1	BHAF	
Cc1cc2nc(C3=CCCC3)[nH]c2cc1F	586883062	GAMWVUYQCBMLLW-UHFFFAOYSA-N	216.259	3.578	0	1	BHAF	
Cc1cnccc1-c1cc2c3c(cccc3n1)CC2	587213521	WYRZISKHXHDMQQ-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
CC=CCCC=CC=CC(=O)N1C=CCCC1	2356616742	FEOFBIPCMIUROD-UHFFFAOYSA-N	231.339	3.591	0	1	BHAF	
Cc1ccc2c(c1)O[C@@]1(C)CCCC[C@H]21	2356284375	YROXLKZGAZSYJV-OCCSQVGLSA-N	202.297	3.804	0	1	BHAF	
CCC(=O)CCC=CC=CC1=N[C@@H](C)C=CC=C1	2356551294	YHYHJUHRELVMJW-AWEZNQCLSA-N	243.350	3.814	0	1	BHAF	
Cc1ccc(C(c2ccc(C)cc2)N(C)C)cc1	8748852	RTUAIBACJCHLIS-UHFFFAOYSA-N	239.362	3.954	0	1	BHAF	
Cc1ccc([C@]2(C)CC[C@H](C(C)C)O2)o1	14723376	OTCYDBRXABTHJM-YPMHNXCESA-N	208.301	3.638	0	1	BHAF	biogenic
CCCCCC[C@H](N=O)c1ccccn1	169689416	HNGHXOZVTFWAQM-LBPRGKRZSA-N	206.289	3.860	0	1	BHAF	
CC[C@H](C)CCC[C@@H]1CCCCC(=O)O1	14592101	FWCJVEHVQQNKBH-RYUDHWBXSA-N	212.333	3.689	0	1	BHAF	biogenic
CN(Cc1ccccc1)C12C[C@@H]3CC1C[C@@H](C3)C2	40981333	DHLMBKWKUIPQLH-RYTJFDOTSA-N	241.378	3.697	0	1	BHAF	
CC(C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@@H]4[C@H]2[C@]4(C)[C@H]13	137206343	GYBWNBYHPILEBG-ZFPHAMITSA-N	204.357	3.961	0	1	BHAF	
CC(=O)[C@H]1CC[C@H]2C(C)=CC[C@@H](C(C)C)[C@H]12	238755007	KXBQKXOLPYNGHE-XQLPTFJDSA-N	220.356	3.840	0	1	BHAF	
CC[C@H](C)c1nc2cc(OC)c(Cl)cc2[nH]1	587955702	KTDKMGSOSKAAJJ-ZETCQYMHSA-N	238.718	3.738	0	1	BHAF	
C1CCC2(CC1)COC1(CCCCC1)OC2	40934235	NPOYKMAHGAWCML-UHFFFAOYSA-N	224.344	3.644	0	1	BHAF	
O=C1C[C@@H](c2ccco2)Oc2ccc(Cl)cc21	103175421	DTAPFCZRVOKVJC-ZDUSSCGKSA-N	248.665	3.640	0	1	BHAF	
COCc1coc(-c2ccc3[nH]ccc3c2)c1	238773677	HZYOYPAUHNXOFK-UHFFFAOYSA-N	227.263	3.574	0	1	BHAF	
Cc1c(F)cc(-c2nc3ccccc3[nH]2)cc1F	587133030	OIFQNZSYWZGIEF-UHFFFAOYSA-N	244.244	3.817	0	1	BHAF	
C=CC(C)=C[C@@H]1C[C@H](C)CC[C@@H]1C(C)(C)O	2356643134	ITCKYIKWIXYNIJ-MCIONIFRSA-N	222.372	3.942	0	1	BHAF	
CC1=C[C@H]2Cc3occc3C[C@@H]2C(C)(C)C1	2356804011	AAEHWUCEENMLER-STQMWFEESA-N	216.324	3.987	0	1	BHAF	
Clc1ccc(Cl)c2[s+]snc12	5722669	XWWJITKUNODEMF-UHFFFAOYSA-N	223.129	3.946	0	1	BHAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H]([C@H]13)[C@]42C	100199753	XBWACJDEQIZTPR-DYODPBKOSA-N	204.357	3.961	0	1	BHAF	in-vitro
C[C@@H]1CC[C@@]2(C)[C@H](C)C(CCO)=CC[C@@]12C	238736551	NOCIFLGYYDFRLP-UXOAXIEHSA-N	222.372	3.778	0	1	BHAF	
C=CC=CC=CC=CC=CCCCC(=O)O	2356438600	LQROPCHYRPLGPB-UHFFFAOYSA-N	218.296	3.652	0	1	BHAF	
CCCCOc1ccc(-c2ccon2)cc1	13530192	CCLDRSRWGWGQAI-UHFFFAOYSA-N	217.268	3.521	0	1	BHAF	
Clc1ccc2c(c1)CC/C2=C/c1c[nH]cn1	100363570	FGJKKMYLQYGVLE-POHAHGRESA-N	230.698	3.550	0	1	BHAF	
COc1ccc(CCCc2cccc(O)c2)cc1	196132804	VPUVUASMODAGIO-UHFFFAOYSA-N	242.318	3.576	0	1	BHAF	
CC1=C2CC[C@@](C)(O)C[C@H]2[C@H](C(C)C)CC1	238738495	OYKYYOKNASFMLL-AEGPPILISA-N	222.372	3.920	0	1	BHAF	
CC[C@@H](C)CCCCCCCCC[C@@H](O)CO	2356735820	STLQPQBVJGUVMY-HUUCEWRRSA-N	244.419	3.897	0	1	BHAF	
CO[C@@H]1C(=O)C(C)=C2CCC(C)=CC[C@]2(C)[C@@H]1C	14649734	BACDYFMVVCEZJI-UHOFOFEASA-N	248.366	3.673	0	1	BHAF	biogenic
CC[C@H](C)CCCC[C@H]1CCCC(=O)O1	14724245	UXLFQDAATOVVOK-RYUDHWBXSA-N	212.333	3.689	0	1	BHAF	biogenic
CC[C@H]1C[C@@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	29481007	OWBORVXXMMDEAN-GUDXXQAFSA-N	243.394	3.619	0	1	BHAF	
CN(C1CCCC1)[C@@H]1CCC(=O)c2ccccc21	40834752	YXOZJSADYOOVGQ-OAHLLOKOSA-N	243.350	3.579	0	1	BHAF	
COC(=O)[C@H](C)CCC[C@]1(C)C[C@H]2CC[C@H]1C2	2356573276	HURCCZSSOPDIHO-UKTARXLSSA-N	238.371	3.792	0	1	BHAF	
CC1=C[C]2N(C=C1)C=C(C)N2Cc1ccccc1	2356872417	VPOIIHXBWHKFNP-UHFFFAOYSA-N	237.326	3.629	0	1	BHAF	
Cc1ccc([C@@H](C)C[C@@H](O)CC(C)C)c(O)c1	13377524	BBLXPOXTPCPOJY-STQMWFEESA-N	236.355	3.601	0	1	BHAF	biogenic
CC[C@@H](C)CCCCC[C@H]1CCC(=O)O1	13463060	PVESYPDFVMTIBG-NEPJUHHUSA-N	212.333	3.689	0	1	BHAF	biogenic
CCCCCc1cccc2c(C[C@H](C)N)c[nH]c12	26674652	VKEQGSWLJCOTCX-LBPRGKRZSA-N	244.382	3.790	0	1	BHAF	
Cc1cc(=O)[nH]c2cc(-c3ccccc3)ccc12	96906608	BTNDHWMSGWYSIL-UHFFFAOYSA-N	235.286	3.504	0	1	BHAF	
c1cncc(-c2nc(C3CCCCC3)c[nH]2)c1	13553764	HSNIPLAHMYNOOH-UHFFFAOYSA-N	227.311	3.519	0	1	BHAF	
CC1=CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)C=C12	15206779	WTUMCHHLAJTPSA-AEGPPILISA-N	220.356	3.696	0	1	BHAF	biogenic
C[C@H]1CC=C(Cc2ccc(O)cc2)CC1	26848653	BKZGKNWHRSIPPV-NSHDSACASA-N	202.297	3.681	0	1	BHAF	
CN1[C@@H]2Cc3ccccc3[C@]1(C)[C@H]1CCCC[C@@H]12	100659763	LGEKADIHPOTMRU-QMCVQRASSA-N	241.378	3.578	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@@](C)(O)[C@H]3CC[C@]12C3	136737093	IJVXAOHQRPSJDV-QIRZIZBZSA-N	222.372	3.610	0	1	BHAF	
C[C@H](Cc1cocc1CO)C1=CCC(C)(C)C1	238757812	HKHFXLOHBNXUKB-LLVKDONJSA-N	234.339	3.697	0	1	BHAF	
Cc1nc(Nc2cccc(F)c2)c(C)c(C)c1O	1772657547	ZNGZLEPYUWOYIX-UHFFFAOYSA-N	246.285	3.595	0	1	BHAF	
C(/C=C/c1nc2ccccc2[nH]1)=C\c1ccccn1	1857609767	AFVBQAAFVQOONJ-IJJWMGEWSA-N	247.301	3.685	0	1	BHAF	
CC1(C)[C@@H]2[C@H]3[C@H]4CC[C@@]3(C)O[C@]4(C)CC[C@H]21	2356477132	XMYINGMBVGGPBQ-QSYFAPPXSA-N	220.356	3.626	0	1	BHAF	
CN1CC[C@]23CCCC[C@]12CCc1ccccc13	2356543151	HRVFWGHILZIZQQ-DLBZAZTESA-N	241.378	3.519	0	1	BHAF	
CC1(C)C=CC[C@]2(C)C[C@H](CO)C(C)(C)[C@@H]12	2356651859	FZXLNBSTYCEHDA-LALPHHSUSA-N	222.372	3.633	0	1	BHAF	
c1ccc([C@@H]2CO[C@@H](c3ccccc3)C2)cc1	14723469	DTRWVAWUKAYYNM-JKSUJKDBSA-N	224.303	3.932	0	1	BHAF	biogenic
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([C@@H]1CCC[C@@H](O)C1)C2	22000233	IGEVVMFDMLDFFU-FAHYXWLWSA-N	236.399	4.000	0	1	BHAF	
CC1(C)C[C@@H]2CCCC[C@@]2(N)c2ccccc21	26147482	FOWWAUKLSZHEHK-LRDDRELGSA-N	229.367	3.712	0	1	BHAF	
CCCn1c2ccccc2c2cnccc21	29062188	JNBDJZLVFTXVIK-UHFFFAOYSA-N	210.280	3.600	0	1	BHAF	
Cc1[nH]c2ccccc2c(=O)c1C1CCCCC1	64539238	GNVDAOHYRZGJCJ-UHFFFAOYSA-N	241.334	3.884	0	1	BHAF	
Cc1c(-c2ccc(F)cn2)[nH]c2cc(F)ccc12	587634916	VBHVSYZUHIYMTL-UHFFFAOYSA-N	244.244	3.817	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@H]1c1ccccc1F	13755483	IDIJMAQOOZIZRH-ZFWWWQNUSA-N	235.346	3.804	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@@H](O)[C@@]3(C)CC[C@]21C3	14679011	UQKRCCOELQIGCU-MYYUVRNCSA-N	222.372	3.610	0	1	BHAF	biogenic
C=CC(=O)Oc1ccc(CCCCC)cc1	14968989	SJJQAOSPHOBWOG-UHFFFAOYSA-N	218.296	3.511	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)NC=O)C=C12	15217390	XJNGSVNNIXUPGR-XJKCOSOUSA-N	249.398	3.674	0	1	BHAF	biogenic
Fc1cccc2c1Oc1ccccc1CCN2	26386796	LHKAXIOJRIFWJW-UHFFFAOYSA-N	229.254	3.586	0	1	BHAF	
CC1=C2CC(C)(C)C[C@H]2C[C@]2(C)CC[C@]12O	34614258	BFLPKQMMVQBPAM-CQDKDKBSSA-N	220.356	3.674	0	1	BHAF	
C[C@@]12CC=C(CO)[C@@H](C1)[C@@]1(C)CCC[C@@]21C	15265953	BOBUWMAINZVWRJ-TUVASFSCSA-N	220.356	3.532	0	1	BHAF	biogenic
Fc1cccc2c(/C=C/c3cccnc3)c[nH]c12	72106255	UEDZSQXLXCINLR-VOTSOKGWSA-N	238.265	3.872	0	1	BHAF	
CCCCCC[C@@H](N=O)c1ccccn1	169689415	HNGHXOZVTFWAQM-GFCCVEGCSA-N	206.289	3.860	0	1	BHAF	
Cc1cccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c12	587968300	ZAAAMPUDLCRMRA-ZYHUDNBSSA-N	226.323	3.941	0	1	BHAF	
CC(C)C1=C[C@@H]2[C@H](C)CC[C@H]2[C@@](C)(NC=O)CC1	2356543080	DSZDIXMKYIUPDP-MIGQKNRLSA-N	249.398	3.530	0	1	BHAF	
CC1=C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H](O)CC1	14416923	ZLJPQFLGGAYZAN-IPYPFGDCSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1=C[C@@]2(CC1)[C@@H](C)CC[C@H](C(C)C)[C@@H]2O	38363961	MYLXGCVCCZCOHU-XGUBFFRZSA-N	222.372	3.776	0	1	BHAF	
Cc1ccc(N2COc3ccc(C)cc3C2)cc1	49784267	KCQSULBGJSFNFJ-UHFFFAOYSA-N	239.318	3.660	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2cncc(Cl)c2[nH]1	587966122	AUCCGHTYWNWUQM-RKDXNWHRSA-N	247.729	3.681	0	1	BHAF	
C/C(=C1\C=CC=N1)c1ccc(-c2ccc[nH]2)o1	34459532	AGXIYZGZCBPIKG-KHPPLWFESA-N	224.263	3.646	0	1	BHAF	
Cc1coc2c1[C@H](O)[C@]1(C)[C@H](C)CCC[C@@H]1C2	85767708	ANKFPIBCTISOBX-HKCMKHECSA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
Cc1ccc([C@@H](C)CCC[C@H](C)CO)c(O)c1	6522331	IZVGIPLOOWCAET-STQMWFEESA-N	236.355	3.603	0	1	BHAF	
CCCCCC[C@H](C)Cc1nccnc1OC	26673490	CADMFFVLXVMIIR-LBPRGKRZSA-N	236.359	3.634	0	1	BHAF	
CN[C@@]12CC=CC[C@@H]1C[C@@H](C)c1ccccc12	29567657	DYWTYZQHULDNCR-IOASZLSFSA-N	227.351	3.575	0	1	BHAF	
Clc1ccc(C2=NO[C@H]3CCCC[C@@H]23)cc1	95576127	ZYHKMKIXWVUVFF-NEPJUHHUSA-N	235.714	3.633	0	1	BHAF	
Cc1c(-c2cccnc2)n(C)c2ccccc12	116647806	OYMBIOMXTNJALB-UHFFFAOYSA-N	222.291	3.549	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1N1CCCCC1	587636937	QCUVJZUVZQHWHA-UHFFFAOYSA-N	232.302	3.606	0	1	BHAF	
CCCC[C@H]1CCC[C@@]2(CCCCO2)O1	2356431998	NBWSJPXGVRZJTC-QWHCGFSZSA-N	212.333	3.643	0	1	BHAF	
CC1(C)C[C@@]2(C)C[C@@H]1C[C@@]2(O)c1ccccc1	1635157	KQZKZBLFKVGKCX-FVQBIDKESA-N	230.351	3.720	0	1	BHAF	
Nc1ncc(-c2ccccc2)n1C1CCCCC1	66113739	UGMNFXWZZDKRGS-UHFFFAOYSA-N	241.338	3.638	0	1	BHAF	
O=C(O)c1cc(-c2ccco2)cc2ccccc12	473115846	USEYURLJWGKYDR-UHFFFAOYSA-N	238.242	3.798	0	1	BHAF	
CC(C)Oc1ccc2nc(C=C3CCC3)[nH]c2c1	587965073	NIOMDQHLOGATFQ-UHFFFAOYSA-N	242.322	3.917	0	1	BHAF	
Cc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1F	587967827	SVOLIFMMHOOWBD-HBNTYKKESA-N	242.297	3.690	0	1	BHAF	
C[C@@H]1CC[C@H]2C[C@H]3[C@@H]1[C@H](C)CC[C@@]3(O)C2(C)C	2356365194	HKGFZBDJALFJBU-XBGPERTJSA-N	236.399	3.856	0	1	BHAF	
CC1(C)CCC=C2C[C@@H](CO)C(C)(C)[C@]21C	2356552070	CDVKOPSZZHDBPE-SWLSCSKDSA-N	222.372	3.778	0	1	BHAF	
C[C@@H]1C(=O)C=C2[C@@H]1CC(C)(C)C[C@@H]1C[C@]21C	13308874	NJTKXUKZKQTHNI-SQYUCLKFSA-N	218.340	3.594	0	1	BHAF	biogenic
Fc1ccc2c(c1)CC/C2=C\c1ccncc1	13535834	KVRYTKBSTLSXKC-FMIVXFBMSA-N	225.266	3.708	0	1	BHAF	in-vivo
Nc1ccc2nc(-c3ccc([18F])cc3)sc2c1	102900417	NTKYDIXDAVHHLS-UMSOTBISSA-N	243.297	3.685	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cc(Cl)cnc2[nH]1	586888363	IRKLQPWUWVEZRY-QPUJVOFHSA-N	235.718	3.515	0	1	BHAF	
CCC[C@H](O)c1nc2ccc(C(C)(C)C)cc2[nH]1	1857607435	NYIFQZJDUJIPTK-ZDUSSCGKSA-N	246.354	3.694	0	1	BHAF	
C[C@H](c1ccc2ccccc2c1)c1c[nH]cn1	13450493	YRDASYXEOGTMQU-LLVKDONJSA-N	222.291	3.715	0	1	BHAF	
CC1=C[C@]2(CC1)[C@H](C)CC[C@@H](C(C)C)[C@H]2NC=O	140176530	GXPBEWRNMRAUIQ-QKPAOTATSA-N	249.398	3.530	0	1	BHAF	
CC1(C)CCc2nc3cccc4c3c(c2C1)CC4	587215710	SMBLOFRXKJFZIP-UHFFFAOYSA-N	237.346	3.848	0	1	BHAF	
CC1(C)C=C[C@@]23CC[C@@H](O)[C@@](C)(CC[C@H]12)C3	13403596	ZNUVKYSTJRDOHT-RJZRQDKASA-N	220.356	3.530	0	1	BHAF	biogenic
Oc1c(Cc2cccnc2)ccc2ccccc12	27199679	OFHSFXQHQJBJKO-UHFFFAOYSA-N	235.286	3.531	0	1	BHAF	
CN(C)[C@@H]1CC[C@@H](c2c[nH]c3cc(F)ccc23)C1	38436760	CGGMFFCJZMGDBV-ZYHUDNBSSA-N	246.329	3.505	0	1	BHAF	
CN(C)C12C[C@]3(C)CC(C[C@]3(C)C1)C2(C)C	95562526	BCXGXPCLFPQFLI-LCBVDAKKSA-N	221.388	3.543	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2c(Cl)ccnc2[nH]1	587966285	CEVXEGGOFXLJNY-RKDXNWHRSA-N	247.729	3.681	0	1	BHAF	
C/C(=C\c1nc2cccnc2[nH]1)C1CCCCC1	587966659	DGDCWJOWXWCWDV-ZHACJKMWSA-N	241.338	3.942	0	1	BHAF	
CC(C)[C@@H]1CCC[C@](C)(O)[C@@H]2C=C[C@@H](C)[C@@H]12	2356773725	HFWPFTKIWIPREI-SEBNEYGDSA-N	222.372	3.632	0	1	BHAF	
CC1=CC[C@@H]2C[C@H]1[C@@]2(C)CC/C=C(\C)C(=O)O	13376485	CTORLPNPQPAKGI-HWHHQFFLSA-N	234.339	3.790	0	1	BHAF	endogenous,in-man
C[C@H]1CC=C(c2ccoc2)N2C[C@H](C)CC[C@@H]12	14962666	GDNQZNOOISYXJU-DYEKYZERSA-N	231.339	3.761	0	1	BHAF	biogenic
CCCN[C@@H]1CCc2cccc(O)c2[C@@H]1CCC	27732999	UKUSJXLXAWCDDW-ZIAGYGMSSA-N	247.382	3.590	0	1	BHAF	
Cc1nccc2c1[nH]c1cc(OC(C)C)ccc12	6520696	CWBJMZBYDJPZBA-UHFFFAOYSA-N	240.306	3.812	0	1	BHAF	
Nc1c2c(nc3ccc(Cl)cc13)[C@H]1CC[C@@H]2C1	27996317	LIQUTBYXLQJUQH-SFYZADRCSA-N	244.725	3.835	0	1	BHAF	
Cc1cc[n+](C2CCCCC2)c2ccccc12	72138232	NMXXSTLMLHSQGU-UHFFFAOYSA-N	226.343	3.941	0	1	BHAF	
Cc1ccc(-c2cc3c4c(cccc4n2)CC3)o1	587216214	WMJNXUHNLVRZLF-UHFFFAOYSA-N	235.286	3.902	0	1	BHAF	
CC1=CC2=C(CC(C)(C)C2)[C@H](C)CC[C@@H]1O	1857585239	NXTJUHGOSJNXRS-YGRLFVJLSA-N	220.356	3.840	0	1	BHAF	
CC1(C)C[C@@H]2CCCC[C@]2(N)c2ccccc21	13831986	FOWWAUKLSZHEHK-BLLLJJGKSA-N	229.367	3.712	0	1	BHAF	
C[C@@]12N[C@@H](Cc3ccccc31)C[C@@H]1CCCC[C@H]12	253849834	DMDUWMGEBWRLLD-XJNFMUPTSA-N	241.378	3.626	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@@H](C)[C@H]3O[C@H]1C[C@@H]23	2356540788	KNMRUVAHBOGVAL-BYGOPZEFSA-N	220.356	3.648	0	1	BHAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3[C@H]1[C@@]2(C)C=C[C@]3(C)O	2356662008	YETXRPZLDDRIAG-UKRFAEJPSA-N	234.383	3.632	0	1	BHAF	
S=C1CSc2c(ccc3ccccc23)N1	6576426	QRKULOHBEXBATE-UHFFFAOYSA-N	231.345	3.685	0	1	BHAF	
CC(C)CC(=O)OCC1=CC[C@@H]2C[C@H]1C2(C)C	14657485	TVGPYTOYKLZBPA-CHWSQXEVSA-N	236.355	3.568	0	1	BHAF	endogenous,in-man
CC1=C2[C@@H](CC1)[C@H](C)CC[C@@H]2/C=C(\C)CO	14827121	KIQXKOUFPHTUQS-VWWNOPSSSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
CC(C)=CCC=C1C[C@@H](CO)C(C)(C)[C@@H]1C	2356427823	NTDRGEQLNBGQNX-OCCSQVGLSA-N	222.372	3.944	0	1	BHAF	
Cc1cc(O)c2c3c1OC(C)(C)[C@@H]3CC[C@@H]2C	2356804944	VBLIRAVWSIHZMM-WCBMZHEXSA-N	232.323	3.853	0	1	BHAF	
O=C(O)c1cccc2c(-c3ccncc3)cccc12	45324489	CPAOWPWXOVMSFO-UHFFFAOYSA-N	249.269	3.600	0	1	BHAF	
CC1=CC[C@@]2(C)C(=C(C)[C@H](O)C[C@@H]2C)CC1	85772404	PYNBPBFJIFSMEA-NILFDRSVSA-N	220.356	3.840	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(F)cc2[nH]1	586887745	HOUZFZZGEWASLI-RNCFNFMXSA-N	218.275	3.606	0	1	BHAF	
O=C(c1ccoc1)c1coc2ccc(Cl)cc12	587278205	IUPNVBZUUGNEIC-UHFFFAOYSA-N	246.649	3.910	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C(C)(C)O)=CC(C)(C)C[C@@H]21	13379043	YUPSOBGMQUUPKH-GRYCIOLGSA-N	222.372	3.776	0	1	BHAF	biogenic
CCCCC[C@]1(C)N(O)c2ccccc2[N+]1=O	137933176	OMIJZWWOGHZWTL-CYBMUJFWSA-N	235.307	3.603	0	1	BHAF	
CSc1cccc(Nc2nc(C)cs2)c1	473086421	HXPSXBKDXWDWFS-UHFFFAOYSA-N	236.365	3.917	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cncc(Cl)c2[nH]1	586888291	IMUAHDCGIXQGIN-JVXZTZIISA-N	235.718	3.515	0	1	BHAF	
Cc1c(Cc2ccco2)nc2cccc3c2c1CC3	587215087	APVMVNSFKBGUIL-UHFFFAOYSA-N	249.313	3.826	0	1	BHAF	
CCCC/C=C/c1nc2cc(Cl)ncc2[nH]1	587964782	CFODKSXZMDZOGP-AATRIKPKSA-N	235.718	3.815	0	1	BHAF	
CC1(C)CCC[C@@H]2C(=O)O[C@@H](c3ccoc3)C[C@@H]21	85837913	FFADPQLZGWESJY-RWMBFGLXSA-N	248.322	3.710	0	1	BHAF	
CCCCCc1cc2ccccc2nc1N	221134775	SUVCNWHGWYIZJO-UHFFFAOYSA-N	214.312	3.550	0	1	BHAF	
CC/C=C/C=C/C=C/C=C/CCCC(=O)OC	238751588	APBIACZYUBKFQE-WLIUBQMOSA-N	234.339	3.965	0	1	BHAF	
CC(C)[C@H]1Cc2c1nc1cccc3c1c2CC3	587213494	JKZDUNDWAAQXMJ-GFCCVEGCSA-N	223.319	3.629	0	1	BHAF	
CC[C@H](C)C[C@H](C)C=C(C)C=CC(=O)O	2356720027	OILLDIIQDQVGSY-JQWIXIFHSA-N	210.317	3.646	0	1	BHAF	
COc1ccc(/C=C/c2ccsc2)cc1	13553963	CUEHRJUKAGPKGZ-NSCUHMNNSA-N	216.305	3.927	0	1	BHAF	
C[C@H]1C[C@@H]2CCCC[C@@]2(N)c2ccccc21	26153876	JRUKCOBJHNDAFH-HUBLWGQQSA-N	215.340	3.538	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@@](C)(O)CC[C@H]12	238752440	ISOIDIYKQYJGMC-KBXIAJHMSA-N	222.372	3.776	0	1	BHAF	
C/C=C\C=C/C=C\CC/C=C/C(=O)NCC(C)C	238789787	SBXYHCVXUCYYJT-QRXWPZACSA-N	247.382	3.784	0	1	BHAF	
CC1=C2C[C@]3(C)C(=CCC[C@H]3C)C=C2OC1=O	15200761	ZRQPXMOBGPJKMQ-PSLIRLAXSA-N	230.307	3.510	0	1	BHAF	biogenic
CN1Cc2ccccc2[C@]12CCCc1ccccc12	27653593	HYFVRZKFSQTURB-GOSISDBHSA-N	249.357	3.712	0	1	BHAF	
CN1CCC[C@H]1c1ccc(Cl)c(Cl)c1	28100193	UYZFMKFDDXFPRN-NSHDSACASA-N	230.138	3.760	0	1	BHAF	
C=C1C=C[C@H]([C@@]2(C)CCCC2(C)C)C[C@H]1O	14948208	SDHORTCDXPFLAK-GZBFAFLISA-N	220.356	3.696	0	1	BHAF	biogenic
C[C@@H]1CC[C@@H]2[C@H](C=C[C@H](C)[C@H]2C=CC(=O)O)C1	2356620423	RUEMHNNYLHGNMT-XVIXHAIJSA-N	234.339	3.502	0	1	BHAF	
CC1=CCCC(CO)=C[C@@H]2[C@@H](CC1)C2(C)C	2356689332	FWWVEVHJDLNKDJ-ZIAGYGMSSA-N	220.356	3.698	0	1	BHAF	
Oc1cccc2c1C=C[C@H](c1ccccc1)O2	2356776566	VMEWOYOXUUGYTN-CQSZACIVSA-N	224.259	3.539	0	1	BHAF	
C=C1CCC[C@H](C=O)CC[C@@H]2[C@H]1CC2(C)C	14920610	QRSRVOUYGXKOHE-MELADBBJSA-N	220.356	3.984	0	1	BHAF	biogenic
CCCC[C@@H](CC)C(=O)CC(=O)CCC	15204805	TYMWSTNXNVORLP-LLVKDONJSA-N	212.333	3.531	0	1	BHAF	
CSc1ccc2cc([C@H](C)C(=O)O)ccc2c1	58638420	DZFJDDMBLJXLJL-VIFPVBQESA-N	246.331	3.750	0	1	BHAF	in-vitro
CCCN1CCC(c2cccc(C)c2)CC1	95588665	PCSPFNDDZANTMS-UHFFFAOYSA-N	217.356	3.584	0	1	BHAF	
Cc1ccc(-c2ccccc2[C@H]2CCNC2)cc1	96175933	KJUSKAJDKDLWPG-HNNXBMFYSA-N	237.346	3.739	0	1	BHAF	
CC(=O)OCC1=CCCC=C[C@@H]2[C@@H](CC1)C2(C)C	2356521133	LGSRJZINARWBIM-HUUCEWRRSA-N	248.366	3.878	0	1	BHAF	
CC1=CC[C@]2(CC1)[C@@H](C)CC[C@@]2(O)C(C)C	13307525	LKCXXQCYAOULSO-SOUVJXGZSA-N	222.372	3.920	0	1	BHAF	biogenic
COc1cc2c(cc1C)[C@@H](C(C)C)C(=O)C[C@@H]2C	13381458	MGLWKHLTALUWRL-MGPLVRAMSA-N	246.350	3.820	0	1	BHAF	biogenic
c1cc2c3c(c4c(nc3c1)[C@@H](C1CC1)CC4)CC2	587213149	GRGSDTGLJPQGFH-GFCCVEGCSA-N	235.330	3.773	0	1	BHAF	
CC(C)=CCCC(C)=CCc1c[nH]c(C(=O)O)c1	2356493458	UEQIBCOZMSTCSW-UHFFFAOYSA-N	247.338	3.948	0	1	BHAF	
CCCCC[C@H](O)C[C@H](O)CCCC=CCl	2356606799	DOJFCHNSBVYWMU-QWHCGFSZSA-N	248.794	3.601	0	1	BHAF	
CC1=CN2[CH]C=CC=C2N1Cc1cccc(C)c1	2356875802	OJIMDTGZCIDYAO-UHFFFAOYSA-N	237.326	3.547	0	1	BHAF	
FC(CNCc1ccccc1)=C1CCCCC1	13611590	MPIMSECTPPRNEQ-UHFFFAOYSA-N	233.330	3.964	0	1	BHAF	
CC1=C2C=C(C(C)(C)O)CC[C@H](C)[C@H]2CC1	15264390	CIUNGYCNQVTWPX-GXFFZTMASA-N	220.356	3.840	0	1	BHAF	biogenic
CN1CC[C@]23CCCC[C@@]12c1ccccc1CC3	100943122	FSJYXYHXSKDMRC-SJORKVTESA-N	241.378	3.724	0	1	BHAF	
CCC(=O)CC/C=C/C=C/C1=N[C@@H](C)C=CC=C1	143670175	YHYHJUHRELVMJW-JJJKBCINSA-N	243.350	3.814	0	1	BHAF	
COC(=O)CSC/C=C(\C)CCC=C(C)C	146495279	NUAXTADCCDXCGF-XYOKQWHBSA-N	242.384	3.585	0	1	BHAF	
N#Cc1ccccc1-c1ccc2[nH]ccc2c1	165654083	STWWDBUGFAPDOR-UHFFFAOYSA-N	218.259	3.707	0	1	BHAF	
CC(C)C1=CC[C@]2(C)C[C@@H](O)C[C@@H](C)C2=C1	15207140	KNUCOFYQBDJBHF-OSAQELSMSA-N	220.356	3.696	0	1	BHAF	biogenic
C[C@@H]1CC[C@H]2[C@H]3C(C)(C)C[C@@]2(C)CC[C@]31O	2356444803	JHDRSBFWLKWPRQ-CYHVGBIXSA-N	222.372	3.610	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@@H](C(C)(C)O)[C@H]2CC1	2356800128	PRVRRGSDUZXLHX-UMVBOHGHSA-N	222.372	3.920	0	1	BHAF	
CN(C)CC1=C(O)C(=Cc2ccccc2)CCC1	2356829262	IWQKDJZMOTWHBH-UHFFFAOYSA-N	243.350	3.628	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)[C@@H](O)C1	13381129	NOCUZOKOOMNRCW-IHRRRGAJSA-N	220.356	3.696	0	1	BHAF	biogenic
CN1[C@@H]2CCc3ccccc3[C@@H]1c1ccccc12	100649316	UBLNRDNAFCSEDA-IAGOWNOFSA-N	235.330	3.709	0	1	BHAF	
CC1=C(CO)C[C@]2(C)CC[C@H](C)[C@H](C)[C@]12C	2356387937	LQSXQOJTPQIGMH-LWWSYDQCSA-N	222.372	3.778	0	1	BHAF	
CCOc1c2c(nc3ccc(Cl)cc13)CCC2	4004196	USBYODDZDLQESC-UHFFFAOYSA-N	247.725	3.776	0	3	BHAF	
Cc1c(Cl)ccc2[s+]snc12	5810649	BVVRNALVGRIERX-UHFFFAOYSA-N	202.711	3.601	0	1	BHAF	
CCC/C=C\C=C\C=C\C(=O)N1C=CCCC1	34294309	MYQLSFPPFMXWEZ-PXUSDECGSA-N	231.339	3.591	0	1	BHAF	
Cc1cccc(C2=NN(c3ccccc3)CC2)c1	70463340	IRWSGBFEWYRZGP-UHFFFAOYSA-N	236.318	3.609	0	1	BHAF	
O=Cc1sccc1-c1ccc(F)cc1F	147976320	JDSRAXGPLMWULK-UHFFFAOYSA-N	224.231	3.506	0	1	BHAF	
CC1=CC[C@H]2C[C@@H]1[C@@]2(C)CC/C=C(/C)C(=O)O	214364773	CTORLPNPQPAKGI-LLIXWNAMSA-N	234.339	3.790	0	1	BHAF	
CC/C(C)=C(\N)c1c(C)[nH]c2cccc(F)c12	587635857	ONMTVWQPGCTJGL-ZSOIEALJSA-N	232.302	3.715	0	1	BHAF	
CC(C)=CCC=C1C[C@H](CO)C(C)(C)[C@H]1C	2356427821	NTDRGEQLNBGQNX-GXTWGEPZSA-N	222.372	3.944	0	1	BHAF	
CC1=CC2=C(C(C)C)CC[C@H](C)[C@H]2[C@H](O)C1	2356460493	XCXXQNHVVCTZPI-NILFDRSVSA-N	220.356	3.696	0	1	BHAF	
CC1=C2C[C@H]3CC[C@H](C)[C@@]2(C[C@@H]1O)C3(C)C	2356510769	KVXSGZUUGMQBGN-XPGAZNKBSA-N	220.356	3.530	0	1	BHAF	
CC(C)C1=CC=C(C(=O)O)[C@@H]2CC[C@H](C)[C@@H]2C1	15264265	BYNOGUXCVFZVPZ-JKOKRWQUSA-N	234.339	3.646	0	1	BHAF	biogenic
CCCNC(=O)Nc1ccc([C@H](C)CC)cc1	27747558	XNWVKJXAONKXRJ-LLVKDONJSA-N	234.343	3.732	0	1	BHAF	
C[C@@H]1NCc2[nH]c3ccccc3c2-c2ccccc21	45495339	ZMTIFSQWMVMPKZ-NSHDSACASA-N	248.329	3.999	0	1	BHAF	
CCN(C)[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@H]1C2	101334235	UCTCXOLUFQJROF-QRTARXTBSA-N	241.378	3.820	0	1	BHAF	
CC(C)c1sc(Nc2ccccc2)nc1O	169720317	RCZXLRFUEUEYCI-UHFFFAOYSA-N	234.324	3.716	0	1	BHAF	
c1ccc(CCC[N@@]2C[C@@H]2c2ccccc2)cc1	1857768967	HJBJXGBICCNTOP-MSOLQXFVSA-N	237.346	3.676	0	1	BHAF	
CCC[C@@H]1C[C@@H]2CCC[C@H]3CCC[C@](C)(O1)N32	34558108	NGQSKKCDMJUAMR-XQLPTFJDSA-N	237.387	3.699	0	1	BHAF	
COc1ccc(-c2cc3ccc(O)cc3o2)cc1	84707769	NIMJBTFKNMBUDO-UHFFFAOYSA-N	240.258	3.814	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@H]3CC[C@](C)(O)[C@@H]2[C@H]31	238773068	QDCXLQJUFNZYHG-OBORUHMCSA-N	222.372	3.610	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)C[C@H](C)[C@H]3O[C@@H]1C[C@@H]23	238736706	KNMRUVAHBOGVAL-GXYBRJDSSA-N	220.356	3.648	0	1	BHAF	
CC1=CC=C[C@]2(C)Cc3occc3C[C@@H]12	2356579935	LLXPXVCHMDEMQA-GXTWGEPZSA-N	200.281	3.517	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@@H](C(C)(C)O)[C@@H]2CC1	2356800129	PRVRRGSDUZXLHX-VNHYZAJKSA-N	222.372	3.920	0	1	BHAF	
COc1ccc2nc3c(cc2c1)Cc1ccccc1-3	7991713	VRSUDBJGROIBQJ-UHFFFAOYSA-N	247.297	3.815	0	1	BHAF	
c1ccc2c3c(oc2c1)[C@@H]1CCCCN1CC3	27732376	WVLAAGBGTBJXIQ-ZDUSSCGKSA-N	227.307	3.516	0	1	BHAF	
COc1ccc2c(c1)CC/C2=C/c1ccncc1	100056335	VDGYNVYFCLIMOF-RAXLEYEMSA-N	237.302	3.577	0	1	BHAF	in-vivo
CCCC[C@@H]1CC[C@H]2CCC[C@H](C(=O)CC)N12	135937101	PFXVWWBJFCZGFF-MGPQQGTHSA-N	237.387	3.541	0	1	BHAF	
CC(C)CC(=O)c1c(C(C)C)nn2ccccc12	197451102	KCWHHNFJVSJDFK-UHFFFAOYSA-N	244.338	3.687	0	1	BHAF	
CSc1ccc2nc(C3=CCCC3)[nH]c2c1	586886037	YZGADKJGSHFFNY-UHFFFAOYSA-N	230.336	3.852	0	1	BHAF	
CC1=CC[C@@]2(C)[C@H](O)[C@H]1[C@]1(C)CCC[C@@]12C	2356624803	PKLUCFDICCLDGA-AICCOOGYSA-N	220.356	3.530	0	1	BHAF	
CCCCCC=C[C@H](O)CCc1ccc(O)cc1	2356787555	BMFICLSZCZRTBY-HNNXBMFYSA-N	248.366	3.822	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@H]12	5004249	YJHVMPKSUPGGPZ-RGCMKSIDSA-N	224.388	4.000	0	1	BHAF	biogenic
CCCC[C@H]1SC(=O)c2ccccc21	95552009	ONIKCGRKVVNAPV-LLVKDONJSA-N	206.310	3.805	0	1	BHAF	
CC1=C2C/C=C(\C)CC/C=C(/C)C[C@@H]2OC1=O	169368730	SLGKCOCDZZQQLY-VWBZKRIYSA-N	232.323	3.695	0	1	BHAF	
C[C@H]1CCC/C=C/C/C=C/CCCC(=O)O1	231933362	JSZKXZJGTWVDOI-XNCQCXSQSA-N	222.328	3.775	0	1	BHAF	
Cc1cc([C@@]2(C)CC[C@H](C(C)C)O2)co1	238742342	YMGVCVXPMGCDBS-CHWSQXEVSA-N	208.301	3.638	0	1	BHAF	
CC1=CC[C@H](C(C)C)C[C@@H]2[C@@H]1CC[C@]2(C)O	2356571548	UQBJCGOOKGDNGP-YJNKXOJESA-N	222.372	3.776	0	1	BHAF	
C[C@@H]1C[C@@H]2[C@H](O)[C@@H]3CC(C)(C)C[C@@H]3[C@]2(C)[C@@H]1C	2356721600	JXTINQFFOKAJPL-XEENHHFHSA-N	236.399	3.712	0	1	BHAF	
CC1=CC[C@H](O)C(C)=C[C@@H]2[C@H](CC1)C2(C)C	2356746924	AMZJPZQKYICVMX-MJBXVCDLSA-N	220.356	3.696	0	1	BHAF	
CC(C)CC(=O)OCC1=CC[C@@H]2C[C@@H]1C2(C)C	100778584	TVGPYTOYKLZBPA-OLZOCXBDSA-N	236.355	3.568	0	1	BHAF	endogenous,in-man
CCC[C@@H](c1nc2cccc(O)c2[nH]1)C(C)C	587956454	RGKLOTVJTYKUFU-SNVBAGLBSA-N	232.327	3.808	0	1	BHAF	
CC(=CCCC(C)=CCCc1ccoc1)CO	2356538312	AAVGOORHZRJMPA-UHFFFAOYSA-N	234.339	3.877	0	1	BHAF	
CCC(=O)c1cc(C(=O)CC)c2cccccc1-2	5417093	JCAMRRWUIHSCBH-UHFFFAOYSA-N	240.302	3.977	0	1	BHAF	biogenic
Cc1ccc([C@H](C)C[C@@H](O)CC(C)C)c(O)c1	13377525	BBLXPOXTPCPOJY-OLZOCXBDSA-N	236.355	3.601	0	1	BHAF	biogenic
CCCOCCC1=CC[C@H]2C[C@@H]1C2(C)C	29042564	WTSLBPFZKIMMLD-STQMWFEESA-N	208.345	3.796	0	1	BHAF	
Cc1cc(O)cc(/C=C/c2ccc(O)cc2)c1	29553557	MOCHEEYLCDCNHA-NSCUHMNNSA-N	226.275	3.577	0	1	BHAF	
C[C@@]12N[C@H](C[C@H]3CCCC[C@H]31)[C@H]1CCCC[C@H]12	169289879	FHRWBXVLMJUUQU-JXEZDRHFSA-N	233.399	3.733	0	1	BHAF	
Cc1ccc2c(c1)CC[C@H]1CC(=O)CC[C@]21C	3472830	JZECOIINDLDHBV-BBRMVZONSA-N	228.335	3.568	0	3	BHAF	biogenic,in-vitro
c1ccc(-c2ccc3sccc3n2)cc1	12478036	MQBBJLZSNDAWTN-UHFFFAOYSA-N	211.289	3.963	0	3	BHAF	
c1cc2c3c(c4c(nc3c1)CCC1(CC1)C4)CC2	587216108	ZMLUEKYAKIBZGV-UHFFFAOYSA-N	235.330	3.602	0	1	BHAF	
CCCC/C=C\c1nc2ccc(Cl)nc2[nH]1	587966119	RZWPDFOTNGLVGE-WAYWQWQTSA-N	235.718	3.815	0	1	BHAF	
CC(C)=CCCC(C)=C[C@H](O)Cc1ccco1	2356302993	IZWCKOPZRHOIBL-AWEZNQCLSA-N	234.339	3.876	0	1	BHAF	
CN(C)C[C@@H]1C[C@H]1c1csc2ccccc12	28960077	AQBBMDYZYWMBQN-CMPLNLGQSA-N	231.364	3.566	0	1	BHAF	
C/C=C/c1ccc(OC(=O)/C(C)=C/C)cc1	34075159	UCQRFKUYPJOHMR-KGUOMNFLSA-N	216.280	3.591	0	1	BHAF	
Cc1ccccc1-c1ccc2nc(N)ccc2c1	72178571	CGNIKISUVFSKGJ-UHFFFAOYSA-N	234.302	3.792	0	1	BHAF	
COc1cc2nc(C=C3CCC3)[nH]c2cc1Cl	587964827	ISNHDCDBNKTYEK-UHFFFAOYSA-N	248.713	3.792	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CC[C@@]3(C(C)(C)O)C[C@@]123	14950341	JUXDFQMZOFALSA-REBRKWNGSA-N	222.372	3.754	0	1	BHAF	biogenic
C/C1=C\CC[C@@H](C)C(=O)C[C@@H](C(C)C)C(=O)C1	15255938	KDPFMRXIVDLQKX-YCBFNFSOSA-N	236.355	3.553	0	1	BHAF	biogenic,in-vitro
Cc1ccc2c(c1)[C@@H](c1ccccc1)CN(C)C2	95558130	ZBINDVNASLJSJF-QGZVFWFLSA-N	237.346	3.572	0	1	BHAF	
CCC1(CC)C2C[C@H]3C[C@H](C2)CC1(N(C)C)C3	103028750	UJOAOIJAOPUIOZ-NOZYUVCASA-N	235.415	3.933	0	1	BHAF	
CN1[C@@]2(C)c3ccccc3[C@@]1(C)[C@@H]1CCCC[C@@H]12	169365262	IUXYFUGTQWYCGM-ORQFMDKSSA-N	241.378	3.882	0	1	BHAF	
COc1cc2c(cc1C)[C@@](O)(C(C)C)CC[C@@H]2C	13381434	HGNDGYPWLHDLPF-ZBEGNZNMSA-N	248.366	3.745	0	1	BHAF	biogenic
CC1=CC[C@@H]2C[C@]3(OC2(C)C)C(C)=CC[C@H]13	15160841	KVJMJCYPKZHEPD-NFAWXSAZSA-N	218.340	3.857	0	1	BHAF	
Cc1cccc(-c2n[nH]c3ccccc23)c1	204249826	WZAICQJNZNANIO-UHFFFAOYSA-N	208.264	3.538	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@](C)(O)[C@@H]1CC[C@@]21C	257398323	CPLGPDHGFNXBOA-HPYVJYLESA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
C/C(=C/c1nc2cccnc2[nH]1)C1CCCCC1	587966658	DGDCWJOWXWCWDV-KHPPLWFESA-N	241.338	3.942	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@@H]2CC=C(C)[C@H]21)C(=O)O	2356538480	FUHPCDQQVWLRRY-HBEIAFGSSA-N	234.339	3.646	0	1	BHAF	
CC1=C2C(C)(C)[C@H](CO)C[C@@]2(C)CC[C@H]1C	2356770636	CUFZOTYNOCYVBK-IFUGULHKSA-N	222.372	3.778	0	1	BHAF	
C/C(=C/CC/C(C)=C/CCc1ccoc1)CO	14613266	AAVGOORHZRJMPA-JFCLYLFASA-N	234.339	3.877	0	1	BHAF	
c1cncc([C@H]2[C@H]3c4ccccc4CC[C@H]32)c1	38763437	QRKOWDMRFAGLGC-XHSDSOJGSA-N	221.303	3.525	0	1	BHAF	
Clc1ccccc1C1=NO[C@H]2CCCC[C@H]12	95574355	JEXSORRCJOMKOT-JQWIXIFHSA-N	235.714	3.633	0	1	BHAF	
CC1=CCC2=C(C)C[C@@H]3OC(=O)C(C)=C3C[C@@]12C	95914467	JTFFVJQNSXOGKP-HOCLYGCPSA-N	244.334	3.695	0	1	BHAF	biogenic,in-vitro
C[C@@H](c1ccc(-c2ccccc2)nc1)n1ccnc1	96282900	FXEVLBPOBBGUKB-ZDUSSCGKSA-N	249.317	3.554	0	1	BHAF	
CCCCn1nc2cc1Oc1ccc(F)cc1-2	587875940	VWHVMSNVVLBLMJ-UHFFFAOYSA-N	232.258	3.595	0	1	BHAF	
NC[C@@H]1C2CCC(CC2)[C@@H]1c1cccc(Cl)c1	27997605	JRNZMQHRXKVRNL-FWFPMQDGSA-N	249.785	3.819	0	1	BHAF	
CCc1cc(-c2ccc(O)cc2)ccc1C(C)=O	29123469	SLNOXILUNDRXKF-UHFFFAOYSA-N	240.302	3.824	0	1	BHAF	
CCCC(=CCl)CC=CCCC(=O)O	2356746486	ZJFPTXMXZZTODX-UHFFFAOYSA-N	216.708	3.720	0	1	BHAF	
C/C(=C\CN1CCCCC1)c1ccccc1	73160699	RQJYQASRUHVIRB-GXDHUFHOSA-N	215.340	3.576	0	1	BHAF	
CN(C)c1ccc(-c2cc3ccccc3[nH]2)cc1	146254970	UODQXIVWQOGGPI-UHFFFAOYSA-N	236.318	3.901	0	1	BHAF	
CC(C)C1=CC[C@H](C)[C@@H](O)C=C[C@@H](C)CC1	2356329357	BSRRJWBQIJEMIW-YDHLFZDLSA-N	222.372	3.942	0	1	BHAF	
CN(C)[C@@H]1CC[C@H](c2c[nH]c3c(F)cccc23)C1	38919173	IZSJBPYSEIJUIT-WDEREUQCSA-N	246.329	3.505	0	1	BHAF	
CCC[C@@]12CCN(C)[C@@H](Cc3ccccc31)[C@H]2C	169342339	KCNQCXUUZIOATN-COXVUDFISA-N	243.394	3.621	0	1	BHAF	
COC1=CCC=C(/C=C\c2ccc(OC)cc2)O1	238783280	IIQCDGLGMWLKBS-FLIBITNWSA-N	244.290	3.500	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2cc(Cl)ncc2[nH]1	587968216	WGOUPUWLRDXOPZ-RKDXNWHRSA-N	247.729	3.681	0	1	BHAF	
C=CC(C)=C[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)O	2356643135	ITCKYIKWIXYNIJ-MGPQQGTHSA-N	222.372	3.942	0	1	BHAF	
CC1=CC[C@H]([C@@]2(C)CCC(=O)C(C)(C)O2)CC1	2562500	MJWZYBQLHJQQJJ-SWLSCSKDSA-N	236.355	3.650	0	1	BHAF	biogenic
CC(C)C(=O)[C@@H]1CCC2=CCC[C@@H](C)[C@@]21C	13385650	DVAATBRDCVSPRO-ZLDLUXBVSA-N	220.356	3.984	0	1	BHAF	biogenic
CC(C)CCCC[C@H](C)CCC(=O)O	15119690	ROSUZCIPJNWOTA-NSHDSACASA-N	200.322	3.704	0	1	BHAF	biogenic
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C(=O)O	15148106	ZUSZUAKJXSYYSA-LALPHHSUSA-N	236.355	3.870	0	1	BHAF	biogenic
CCN1[C@H]2Cc3ccccc3[C@H]1c1ccccc12	253680064	AVNLPGZESZWUCY-IRXDYDNUSA-N	235.330	3.709	0	1	BHAF	
C1=C(c2cccc3ccccc23)CC[N+](C2CC2)=C1	27197161	BIBOHPZGGPLJMZ-UHFFFAOYSA-N	248.349	3.873	0	1	BHAF	
C[C@H]1C[C@]2(C)CC[C@H]3[C@H](C)CC[C@@]32[C@@]1(C)O	40863580	PEXFPFKCJPWRDJ-HCDMYHGNSA-N	222.372	3.610	0	1	BHAF	
C[C@@]12N[C@H](C[C@@H]3CCCC[C@@H]31)c1ccccc12	100659871	ASEZTUXOIVZOLB-DDUYRFODSA-N	227.351	3.756	0	1	BHAF	
CS[C@H]1C[C@@H]2[C@@H](C[C@@]1(C)SC)C2(C)C	195492990	GHHXTHWFXOUDSH-MWGHHZFTSA-N	230.442	3.906	0	1	BHAF	
CC(C)[C@H]1Cc2nc3cccc4c3c(c2C1)CC4	587215178	ISYVUANOHYGDSP-GFCCVEGCSA-N	237.346	3.704	0	1	BHAF	
CCCCCc1cc(OC)cc(OC)c1C	653709027	LYQIDCDBYSUQGN-UHFFFAOYSA-N	222.328	3.745	0	1	BHAF	
c1ccc(CC[C@@H]2COc3ccccc3C2)cc1	1772630588	GIPIXPBNVZXBIF-HNNXBMFYSA-N	238.330	3.871	0	1	BHAF	
CC(C)[C@@H]1CCC[C@](C)(O)[C@@H]2C=C[C@@H](C)[C@H]12	2356773723	HFWPFTKIWIPREI-KHMAMNHCSA-N	222.372	3.632	0	1	BHAF	
CC[C@@]12Cc3ccccc3C[C@@H](N1)c1ccccc12	3792556	YPJBIZARZQZKKC-MSOLQXFVSA-N	249.357	3.735	0	1	BHAF	
CC(C)C(=O)[C@@H]1CCC2=CCC[C@H](C)[C@]21C	13385649	DVAATBRDCVSPRO-CORIIIEPSA-N	220.356	3.984	0	1	BHAF	biogenic
CC[C@@H]1CN(c2ccc(C(C)C)cc2)C(=O)O1	29407482	AXPNACXPTWUWFJ-CYBMUJFWSA-N	233.311	3.545	0	1	BHAF	
CC(C)[C@H]1CC[C@@H](C)c2c(O)cc(CO)cc21	214474607	ZCURUYBTMVDZFO-ZYHUDNBSSA-N	234.339	3.521	0	1	BHAF	
CC(C)=C1CC[C@@H](C)[C@]12CC=C(CO)CC2	13307439	BQHRDXJFXULIGH-IUODEOHRSA-N	220.356	3.842	0	1	BHAF	biogenic
C=C(C)[C@@H]1CC[C@]2(C)CC(=O)[C@@H](C)CC[C@H]12	13432064	YIYTUCKPVQWDEN-RMRHIDDWSA-N	220.356	3.984	0	1	BHAF	biogenic
c1ccc2c(-c3cc4nccnc4[nH]3)cccc2c1	13492982	GOOPKIMTLVKCFF-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
CCCCCc1cccc2c(C[C@@H](C)N)c[nH]c12	26674649	VKEQGSWLJCOTCX-GFCCVEGCSA-N	244.382	3.790	0	1	BHAF	
Clc1ccccc1C1=NO[C@@H]2CCCC[C@@H]12	95574358	JEXSORRCJOMKOT-ZYHUDNBSSA-N	235.714	3.633	0	1	BHAF	
C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@H]2CC[C@@]1(C)O	145754682	XSGDPVPUQBOYGK-QHSBEEBCSA-N	224.388	4.000	0	1	BHAF	
CC(C)C1=C[C@H]2[C@H](CC[C@H]2C)[C@@](C)(NC=O)CC1	238764504	DSZDIXMKYIUPDP-OJLVUWQFSA-N	249.398	3.530	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1N1CCCC[C@H]1C	587637100	UYNVMYRWZLKMAS-SNVBAGLBSA-N	246.329	3.994	0	1	BHAF	
CC=C1C(=O)O[C@H]2CCCC(C)=CCCC=C12	2356462007	BLDMEGILGNNZET-AWEZNQCLSA-N	232.323	3.695	0	1	BHAF	
CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)(C)O)CC1	2356539246	HUCBLFQXYARCGJ-KBPBESRZSA-N	220.356	3.840	0	1	BHAF	
CCCCCC/C(N=O)=C1/C=CC=CN1	100489564	BLHRGOUMPXWXJS-VAWYXSNFSA-N	206.289	3.608	0	3	BHAF	
CC(C)=CC/C(=C/c1ccccc1)C(=O)O	70455172	ZKVOPDUGWCSBPC-RAXLEYEMSA-N	216.280	3.511	0	1	BHAF	biogenic,in-vitro
CCC[C@H]1CCC[C@@]2(CC[C@H](CC)O2)O1	85756659	SSLBJYJOPLKJSL-AVGNSLFASA-N	212.333	3.641	0	1	BHAF	
Cc1coc2ccc3c(c12)C[C@H](C)CC3	95910578	SAZCYHYCQACRRN-SECBINFHSA-N	200.281	3.866	0	1	BHAF	biogenic,in-vitro
CCCOCCC1=CC[C@@H]2C[C@H]1C2(C)C	29042566	WTSLBPFZKIMMLD-CHWSQXEVSA-N	208.345	3.796	0	1	BHAF	
O=C(/C=C/c1ccccc1)n1ccc2ccccc21	38294374	TZESEVOODDUWFL-ZHACJKMWSA-N	247.297	3.995	0	1	BHAF	
CCCC[C@H](CC)c1nc2ccccc2c(=O)[nH]1	72170780	DAQXBHJQHGIETF-NSHDSACASA-N	244.338	3.607	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cncc(Cl)c2[nH]1	586888293	IMUAHDCGIXQGIN-KRTXAFLBSA-N	235.718	3.515	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@](C)(O)CC[C@@H]12	12153103	ISOIDIYKQYJGMC-CBBWQLFWSA-N	222.372	3.776	0	1	BHAF	biogenic
Cc1ccsc1-c1ccc2oc(=O)ccc2c1	1772653477	QNDZZTDLJRUAHV-UHFFFAOYSA-N	242.299	3.830	0	1	BHAF	
CC1(C)[C@@H]2CC[C@]3(C)CCC[C@]3(C)[C@H](O)[C@H]21	2356787907	BTBQMFYSHNODBW-FMKNKJFCSA-N	222.372	3.610	0	1	BHAF	
CN(C)C[C@H]1C2CCC(CC2)[C@H]1c1ccccc1	2032415	XQGAMWDOCIXVRB-MHVXSEJMSA-N	243.394	3.768	0	1	BHAF	
CSc1ccc2cc([C@@H](C)C(=O)O)ccc2c1	59997768	DZFJDDMBLJXLJL-SECBINFHSA-N	246.331	3.750	0	1	BHAF	
CCCCCC=CC=CC(=O)N1CCCCC1	2356535160	ZPSGREUUQGTKDE-UHFFFAOYSA-N	235.371	3.692	0	1	BHAF	
CC(=O)CC[C@H]1C(=O)C=C(C(C)C)CC[C@@H]1C	14694277	PDXOECHKUSAMHE-SMDDNHRTSA-N	236.355	3.553	0	1	BHAF	biogenic
CC1=C[C@H]2OC(C)(C)[C@@H]3CC[C@@H](C)[C@@]23CC1	100829371	JGKMDLIITSKWAD-QVHKTLOISA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
Oc1cccc(-c2cc3c4c(cccc4n2)CC3)c1	587216262	XVWMFASGGREFDW-UHFFFAOYSA-N	247.297	3.706	0	1	BHAF	
CCCO[P@]1(=O)C=CC(Cl)=C(C)C1	5785263	FJRUJMZGGYRQBK-CYBMUJFWSA-N	220.636	3.731	0	1	BHAF	
COc1ccc2c(C(C)C)cc(O)c(C)c2c1	39150569	DFODTELNOUGBIV-UHFFFAOYSA-N	230.307	3.986	0	1	BHAF	
C[C@@H]1CCC[C@]2(O)CC[C@@H]3[C@H](C3(C)C)[C@]12C	2356564763	BREDZYPEWIDOOH-FPVZYODXSA-N	222.372	3.610	0	1	BHAF	
CC(C)=C1C=C2[C@@H](C)CCC[C@@]2(CO)CC1	15207190	FEQIVKLOJASWGY-WFASDCNBSA-N	220.356	3.842	0	1	BHAF	biogenic
CC1=CC[C@@H](CC[C@H](C)[C@H](C)O)C1(C)C	31350801	NGYMOTOXXHCHOC-WCFLWFBJSA-N	210.361	3.776	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)C[C@H](C)[C@H]3O[C@H]1C[C@@H]23	2356540791	KNMRUVAHBOGVAL-RODWMJHOSA-N	220.356	3.648	0	1	BHAF	
c1cnc2c(-c3ccc4nccn4c3)cccc2c1	61907838	ZJHXFNBYIQFICU-UHFFFAOYSA-N	245.285	3.550	0	3	BHAF	
C[C@@]12CC[C@@H]3c4ccccc4CC[C@@]3(CO1)C2	105257487	ADMBBYIIHVULRI-PMPSAXMXSA-N	228.335	3.676	0	3	BHAF	
CC1CCCP(=O)(c2ccccc2)CCC1	1613071	VOPHGYBVMMWOPG-UHFFFAOYSA-N	236.295	3.885	0	1	BHAF	
C[C@@]12N[C@H](CC3=C1CCCC3)c1ccccc12	100659801	DNQMEVZYRQESJN-HZPDHXFCSA-N	225.335	3.820	0	1	BHAF	
C[C@@H]1CCC=C2CC[C@H](c3cc3=O)C[C@]21C	2356413614	GKIKMPZURPYPCN-ZETOZRRWSA-N	216.324	3.553	0	1	BHAF	
CC1=CC[C@H]([C@@]2(C)CC(=O)CC(C)(C)O2)CC1	14682139	FBZSMLWLLPEEKP-SWLSCSKDSA-N	236.355	3.650	0	1	BHAF	biogenic
CC(C)c1ccc(C2(C(F)(F)F)N=N2)cc1O	58534889	POLDZHBQJMKTKK-UHFFFAOYSA-N	244.216	3.697	0	1	BHAF	
C/C(=C\c1cc(C)co1)CCCC1=CC(=O)OC1	238731626	NQGBYHSLVPPGLA-IZZDOVSWSA-N	246.306	3.645	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)C[C@H](O)[C@@H]2C	238760460	QJRHDLVPHNGONZ-ZLDLUXBVSA-N	218.340	3.603	0	1	BHAF	
Clc1cccc(-c2cccc3nccn23)c1	61905701	DHVYSXPWOLGIOD-UHFFFAOYSA-N	228.682	3.655	0	3	BHAF	
CC(C)[C@H]1CCc2coc3c2[C@@H]1C[C@H](C)C3=O	85866982	OXGBVJBYGGQURY-MVWJERBFSA-N	232.323	3.804	0	1	BHAF	
Fc1cccc(-c2cncnc2-c2ccco2)c1	653914372	KRXVLJAQGHBNTA-UHFFFAOYSA-N	240.237	3.543	0	1	BHAF	
C[C@@H]1C=C2C=C[C@H](C)[C@H](CCC(=O)O)[C@H]2CC1	2356613886	AZUBMNMSJJDMQQ-IMIFBBOLSA-N	234.339	3.646	0	1	BHAF	
CCc1ccc2c(c1)Oc1ccccc1[S@@]2=O	13779747	BQJREPACXANOEP-QGZVFWFLSA-N	244.315	3.521	0	1	BHAF	
CC1=CC[C@H]2[C@H](C1)C(=C(C)C)CC[C@]2(C)N	82047524	VLGSOUCSNXCRMI-ILXRZTDVSA-N	219.372	3.807	0	1	BHAF	
CC(C)(Cl)c1nc2ccc3c(c2[nH]1)CCCC3	587009074	UUGIFHLRFUZAJO-UHFFFAOYSA-N	248.757	3.916	0	1	BHAF	
CC(C)C1=C[C@H]2[C@@H](C)CC[C@H]2[C@@](C)(O)CC1	96923232	TUFHRGQKTXJXPF-MHEUCROKSA-N	222.372	3.776	0	1	BHAF	
C[C@@H](O)CCCCCCCCC/C=C/C(=O)O	219951977	BZYRRBQRPOVBLC-RSKUSDAESA-N	242.359	3.519	0	1	BHAF	in-vitro
ON(C=Cc1ccccc1)c1ccccc1	2356314394	GVOKLKZQHPLSAN-UHFFFAOYSA-N	211.264	3.553	0	1	BHAF	
C[C@H]1[C@H]2CC[C@H]3[C@H]2C(C)(C)C(=O)CC[C@]31C	2356467887	IDGOUUWCFVZDEL-VUJGLXIWSA-N	220.356	3.674	0	1	BHAF	
CC1=CC[C@]2(C(=C(C)C)CC[C@H]2C)[C@@H](O)C1	13307480	XDDWKHKVKLJESI-SNPRPXQTSA-N	220.356	3.840	0	1	BHAF	biogenic
Cc1ccc2ccc(-c3ccccn3)cc2n1	28710047	WEZTYDCGQNWZNF-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)C[C@]3(C)CC[C@@H]1[C@@]23O	231158908	ZCRYDCBITZERMT-FMKNKJFCSA-N	222.372	3.610	0	1	BHAF	
Oc1ccc([C@@H]2C[C@H]3C[C@H]2[C@H]2C=CC[C@H]23)cc1	250265769	WWFVMVARNSHTHZ-YDMUCJKGSA-N	226.319	3.708	0	1	BHAF	
CC(=O)CC[C@@H]1C[C@]2(CCC=C2C)OC1(C)C	14721233	WIQUMZFHDBZVSM-HIFRSBDPSA-N	236.355	3.650	0	1	BHAF	biogenic
c1ccc(-c2cccc3c2[C@H]2CNC[C@@H]3C2)cc1	28528464	WXTSGZNDVZORJW-UONOGXRCSA-N	235.330	3.528	0	1	BHAF	
CN(C)C[C@H]1C[C@@H]1c1csc2ccccc12	28960073	AQBBMDYZYWMBQN-PWSUYJOCSA-N	231.364	3.566	0	1	BHAF	
CC(C)=C[C@@H]1[C@H](C)CC[C@@H]2[C@H](C)CC[C@]12O	86032848	QGALFKRHZSPTEG-KJWHEZOQSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
CCCCCC[C@@H]1CC(=O)c2ccc(O)cc2O1	299838737	QXQRYHPIPUPLAJ-GFCCVEGCSA-N	248.322	3.696	0	1	BHAF	
CC1=C[C@@H]2c3cc(O)ccc3OC(C)(C)[C@H]2C=C1	2356624783	OXTPGPPCBJDVHZ-OCCSQVGLSA-N	242.318	3.779	0	1	BHAF	
C[C@@H]1CCC[C@@]2(C)CCC(C(C)(C)O)=C[C@@H]12	15209591	YAQHBZWQFWXJOL-ZLDLUXBVSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1=CCC[C@]2(C)CC(=O)[C@@H](C(C)C)C[C@@H]12	38997601	FNNFCOCGPUYRBG-VNHYZAJKSA-N	220.356	3.984	0	1	BHAF	
C[C@@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)O	85661892	XSGDPVPUQBOYGK-AYRXBEOTSA-N	224.388	4.000	0	1	BHAF	
Clc1ccc(C2=NOCc3ccccc32)cc1	103187211	FOYQGNWWJGDTAD-UHFFFAOYSA-N	243.693	3.623	0	1	BHAF	
CC1=C(c2ccc(F)cc2)C(=O)O/C1=C\C(C)C	1911585594	UQCABFDDPFCLSP-JYRVWZFOSA-N	246.281	3.696	0	1	BHAF	
CC(C)[C@H]1C[C@@]2(C)C[C@@]3(C)C[C@H]1[C@H]2CC3=O	2356790200	FHGVQISYQRBFTF-MYYUVRNCSA-N	220.356	3.674	0	1	BHAF	
C[C@H](CCN(C)C)c1ccc2ccccc2c1	28641896	BNGSHTBTTWQXLD-CYBMUJFWSA-N	227.351	3.895	0	1	BHAF	
c1ccc(-c2ccc3c(ccc4nccn43)n2)cc1	40848705	MSNXGNRMBBIDQN-UHFFFAOYSA-N	245.285	3.550	0	1	BHAF	
C[C@H](c1ccc(-c2ccccc2)nc1)n1ccnc1	96282901	FXEVLBPOBBGUKB-CYBMUJFWSA-N	249.317	3.554	0	1	BHAF	
FC(F)(F)c1[nH]ccc2c3ccccc3nc1-2	101170291	VLHDOPYPVDSOLQ-UHFFFAOYSA-N	236.196	3.687	0	1	BHAF	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CCC[C@@H]1C2	6005424	ANKFPIBCTISOBX-RBDSIQFVSA-N	234.339	3.620	0	1	BHAF	biogenic,in-vitro
CN[C@@H]1C[C@H](c2ccc(F)cc2)c2ccccc21	29484379	JVGDVUQOPGOQIW-HZPDHXFCSA-N	241.309	3.622	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(F)c(C)c2[nH]1	586886838	DLHCXAKWSIDKPO-YMTOWFKASA-N	232.302	3.914	0	1	BHAF	
CC1=C[C@@H]2C[C@](C)(O)C[C@H](C)[C@H]2[C@@H](C)CC1	2356524739	CQZPGEQDHSSUQN-VQJWOFKYSA-N	222.372	3.776	0	1	BHAF	
CC(C)C1=C[C@@H]2[C@H](C)CC[C@H]2[C@](C)(NC=O)CC1	2356543079	DSZDIXMKYIUPDP-DTZQCDIJSA-N	249.398	3.530	0	1	BHAF	
CC=Cc1ccc(OC(=O)[C@H](C)CC)cc1	2356629107	QVAWDXCSFUFEAT-LLVKDONJSA-N	218.296	3.671	0	1	BHAF	
CC1=CCC(C)(C)CC2=C(C[C@@H]2C)C[C@H]1O	2356689977	HKOYGJNJKYCWBP-SMDDNHRTSA-N	220.356	3.840	0	1	BHAF	
Cc1ccc([C@@H](C)CC[C@@H]2OC2(C)C)cc1O	13377488	BQAQGBHVNVLESL-HZMBPMFUSA-N	234.339	3.762	0	1	BHAF	biogenic
CCCN1CCC[C@H](c2c(C)cccc2C)C1	13782156	HBTLGWNZDLWXQJ-HNNXBMFYSA-N	231.383	3.893	0	1	BHAF	in-vivo
CCc1cccc2[nH]c(-c3ccccc3)cc(=O)c12	26670976	JHNNWJRIFKHOCY-UHFFFAOYSA-N	249.313	3.758	0	1	BHAF	
CN1[C@H]2CCc3ccccc3[C@H]1c1ccccc12	253691467	UBLNRDNAFCSEDA-IRXDYDNUSA-N	235.330	3.709	0	1	BHAF	
Fc1cc(F)cc(-c2cc3nccnc3s2)c1	299831739	RBEIGPCKTTVZGY-UHFFFAOYSA-N	248.257	3.637	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2cccc(F)c2[nH]1	586887167	FGIFJJIWMLNSCF-SDBXPKJASA-N	218.275	3.606	0	1	BHAF	
Cc1nc2cccc3c2c(c1Cc1ccco1)CC3	587215550	JHGRUERTRMSQFX-UHFFFAOYSA-N	249.313	3.826	0	1	BHAF	
c1ccc(CCC[N@]2C[C@@H]2c2ccccc2)cc1	1857768968	HJBJXGBICCNTOP-QZTJIDSGSA-N	237.346	3.676	0	1	BHAF	
NC[C@@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)cc1	13795115	YBVKBRKRBSXLIO-FBDPFYNOSA-N	249.785	3.819	0	1	BHAF	
Cc1ccc2c(c1O)C(=O)c1c(C)ccc(C)c1-2	14511592	IFMRRMRRZYEPDS-UHFFFAOYSA-N	238.286	3.529	0	1	BHAF	biogenic
CC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@@]2(C)CC[C@@]12O	14681238	CEVJERUHMXYIBB-AYRXBEOTSA-N	220.356	3.530	0	1	BHAF	biogenic
C[C@H]1CC[C@]2(O)C(C)(C)[C@H]3CC[C@@]2(C)[C@H]1C3	100193261	GGHMUJBZYLPWFD-YLXLXVFQSA-N	222.372	3.610	0	1	BHAF	in-vitro
CC1=C[C@@H]2[C@H](CC1)C1=CC[C@@]2(C(C)C)OC1	103547469	LTFFUJGXHWVHQX-KFWWJZLASA-N	218.340	3.714	0	1	BHAF	biogenic,in-vitro
C=C/C(C)=C\C=C\[C@H](O)CCC=C(C)C	238778725	DOQHWMWPLINRND-CHKGAGSASA-N	206.329	3.782	0	1	BHAF	
COc1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2c1	587966277	CDFZRWZYXGQYTO-ZYHUDNBSSA-N	242.322	3.641	0	1	BHAF	
CCCc1cccc2c(-c3cncs3)n[nH]c12	653783778	PNQSPGGATYGTJO-UHFFFAOYSA-N	243.335	3.639	0	1	BHAF	
CC(C)(C)c1ccc2nc(C3=CCCC3)[nH]c2n1	586882724	AMNNAMXQFIUPDE-UHFFFAOYSA-N	241.338	3.823	0	1	BHAF	
Fc1ccc2nc(/C=C\c3ccsc3)[nH]c2c1	587026150	RTQFFNKYRFKLNI-RJRFIUFISA-N	244.294	3.934	0	1	BHAF	
CC(=O)OCC1=CCCC=C[C@H]2[C@H](CC1)C2(C)C	2356521132	LGSRJZINARWBIM-GJZGRUSLSA-N	248.366	3.878	0	1	BHAF	
C[C@@]12CC3C[C@]1(C)CC3(NCc1cccs1)C2	40827655	AELLQSWFXILZQL-LCBVDAKKSA-N	247.407	3.807	0	1	BHAF	
CC1=C2C/C=C(/C)CC/C=C(\C)C[C@H]2OC1=O	106016620	SLGKCOCDZZQQLY-VBJIEAFHSA-N	232.323	3.695	0	1	BHAF	
Cc1cc2nc(C3=CCCC3)[nH]c2cc1C	586882725	ANJZWVJVOXYBEY-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
CCCOc1ccc(Nc2nc(C)cs2)cc1	1209864612	KEXBXRBQTXJBOT-UHFFFAOYSA-N	248.351	3.984	0	1	BHAF	
CC[C@H](C)CC[C@@H]1C=C[C@@H]2CCC(=O)O[C@@H]2C1	2356833067	JXWFJNFXUQSKCJ-REWJHTLYSA-N	236.355	3.711	0	1	BHAF	
C/C=C/c1cc(OC)ccc1OC(=O)[C@@H](C)CC	14679998	YARRWVYKHJNVHX-ZRQQLDRUSA-N	248.322	3.680	0	1	BHAF	endogenous,in-man
Cc1ccc2ccc(-c3cccc(O)c3)cc2n1	28823057	ONBWGZNKVDEPCB-UHFFFAOYSA-N	235.286	3.916	0	1	BHAF	in-vivo
CC1=C2CC[C@](C)(O)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C	100778056	FPRYGNYXOFHMLF-OSFYFWSMSA-N	220.356	3.530	0	1	BHAF	endogenous,in-man
CCCC(CCC)NC(=O)c1ccc(C)s1	149927609	PUMFKYOQTPKGGL-UHFFFAOYSA-N	239.384	3.755	0	1	BHAF	
C[C@@H]1C=C2C=C[C@H](C)[C@@H](CCC(=O)O)[C@H]2CC1	2356613887	AZUBMNMSJJDMQQ-VTPLQMEGSA-N	234.339	3.646	0	1	BHAF	
CC1=COC=C[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	14616077	MHBHVBZBPFDCSL-YDHLFZDLSA-N	236.355	3.628	0	1	BHAF	biogenic
CC1=C[C@@H](O)C[C@@H](C)[C@]1(C)CCc1ccoc1	14638373	CGYPYORTCRDMNT-BPLDGKMQSA-N	234.339	3.566	0	1	BHAF	
CC(C)C1=C[C@H]2[C@H](CC[C@H]2C)[C@@](C)(O)CC1	15265245	TUFHRGQKTXJXPF-RZFFKMDDSA-N	222.372	3.776	0	1	BHAF	biogenic
C[C@]12N[C@H](C[C@H]3CCCC[C@@H]31)c1ccccc12	25994643	ASEZTUXOIVZOLB-JMGFVUJMSA-N	227.351	3.756	0	1	BHAF	
Cc1cnc2c(c1)CCC[C@@H]2c1nc(C)cs1	169314310	SKADNDDXNXYLGR-LBPRGKRZSA-N	244.363	3.623	0	1	BHAF	
CC[C@H](C)c1nc2cc(Cl)cc(F)c2[nH]1	587956235	OVGSKABFKJWJEF-LURJTMIESA-N	226.682	3.869	0	1	BHAF	
CC1(C)CCC(Cc2nc3cnccc3[nH]2)CC1	587960402	ILSOTQZOZOYYRF-UHFFFAOYSA-N	243.354	3.717	0	1	BHAF	
CC(=Cc1cc(C)co1)CCCC1=CC(=O)OC1	2356557422	NQGBYHSLVPPGLA-UHFFFAOYSA-N	246.306	3.645	0	1	BHAF	
C=C[C@]1(C)CC[C@@H](C(C)=O)C[C@@H]1C(=C)C	14614804	MQPOZMPCFISHSA-MGPQQGTHSA-N	206.329	3.760	0	1	BHAF	biogenic
C(=C/c1nc2ccccc2[nH]1)\c1ccsc1	114437929	ZPSNUZNQWKYXNA-AATRIKPKSA-N	226.304	3.795	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@H](C1CCC1)C4)CC2	587212630	CLMDDJWAGGBGFZ-ZDUSSCGKSA-N	235.330	3.773	0	1	BHAF	
C[C@@H]1C[C@@H]2[C@@]3(O)CCC=C(CC3)CC[C@@]21C	2356579502	AQWYRDGVUURYEI-FAAHXZRKSA-N	220.356	3.674	0	1	BHAF	
CC1=CC(=O)C[C@H](C)[C@@H]2CC(=C(C)C)C[C@@H]12	16975363	BVZZQXFBJGQDRK-CQDKDKBSSA-N	218.340	3.904	0	1	BHAF	biogenic
Nc1c2c(nc3cccc(Cl)c13)[C@@H]1CC[C@H]2C1	27996306	KDPXEJGRLUVMJN-JGVFFNPUSA-N	244.725	3.835	0	1	BHAF	
CC1(C)CCC[C@@H]1C1=CC=C(C(=O)O)CC1	238765962	MDSJNXFLUFOANP-GFCCVEGCSA-N	220.312	3.544	0	1	BHAF	
CC(C)=CCC[C@H](C)c1ccc(CO)cc1O	6487106	ZSAVUHMKXYRZKA-LBPRGKRZSA-N	234.339	3.734	0	1	BHAF	biogenic
Cc1cc2c3c(cc(C)c2o1)[C@@H](C)CC(=O)N3C	42920439	QZVCVOHPEQARCW-QMMMGPOBSA-N	243.306	3.520	0	1	BHAF	
CC[C@@H](C)Oc1cc2c3ccccc3nc-2c[nH]1	100640602	DKCNNHVHQYMVTO-SNVBAGLBSA-N	240.306	3.845	0	1	BHAF	in-vivo
Clc1cncc(-c2ccc3cc[nH]c3c2)c1	1857636747	JOCQDKSUHNJZEM-UHFFFAOYSA-N	228.682	3.883	0	1	BHAF	
COc1cc(/C=C\c2ccsc2)cc(OC)c1	13553967	KUGWSSNPSKWWFO-ARJAWSKDSA-N	246.331	3.936	0	1	BHAF	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](CCC[C@H]1C)C2	15220877	ANKFPIBCTISOBX-BVIHXZOGSA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
C[C@]12N[C@H](Cc3ccccc31)C[C@@H]1CCCC[C@@H]12	25993549	DMDUWMGEBWRLLD-FSDCSDTHSA-N	241.378	3.626	0	1	BHAF	
Cc1cc(F)cc(-c2cc3ncccc3cn2)c1	28826022	ZJIGDEYNCCHRKX-UHFFFAOYSA-N	238.265	3.744	0	1	BHAF	in-vivo
CCCCn1c(-c2ccc(Cl)cc2)cnc1N	66101964	FLDXESSIVQVVAJ-UHFFFAOYSA-N	249.745	3.586	0	1	BHAF	
CC1(C)CCC[C@H]2C[C@H]3C[C@]21CC=C3C(=O)O	85849932	MQVGALKWIAYYHR-ZIBATOQPSA-N	234.339	3.624	0	1	BHAF	
Cc1coc2c1[C@H](O)[C@@]1(C)[C@@H](CCC[C@H]1C)C2	257378314	ANKFPIBCTISOBX-FDRIWYBQSA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
CC1=C[C@@H]2[C@H](C(C)C)C[C@@H](C)[C@@H]3O[C@H]1C[C@@H]23	2356540790	KNMRUVAHBOGVAL-QZOBBIQNSA-N	220.356	3.648	0	1	BHAF	
CCCCCC[C@@H]1C[C@H]1CCCC(=O)O	2356795962	MQWFOICQHNOBOJ-VXGBXAGGSA-N	212.333	3.848	0	1	BHAF	
CCCN1CCC[C@@H]([C@@H]2CCC[C@H](C)C2)C1	36450278	MFQJGOGNSWZAMY-RRFJBIMHSA-N	223.404	3.935	0	1	BHAF	
CC(C)=C[C@@H]1[C@H](C)CC[C@@H]2[C@@H](C)CC[C@]12O	230080447	QGALFKRHZSPTEG-XLWJZTARSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
CC1=C(CO)C[C@]2(C)CCCC(C)(C)[C@]12C	238766968	BIFZUAUNLQJSKA-GJZGRUSLSA-N	222.372	3.922	0	1	BHAF	
Fc1cc2nc(C3=CCCC3)[nH]c2c(F)c1F	586886014	YSJGUXFODGGDHP-UHFFFAOYSA-N	238.212	3.548	0	1	BHAF	
CC[C@H](C)c1nc2ccc(F)c(C)c2[nH]1	587955747	LJVINNMLBKJFON-ZETCQYMHSA-N	206.264	3.524	0	1	BHAF	
CCC[C@H](c1nc2cncc(C)c2[nH]1)C(C)C	587957041	YMGYFDNNVDQAOX-NSHDSACASA-N	231.343	3.806	0	1	BHAF	
C[C@@H]1CC(=O)CC2=CC[C@@H]3[C@@H](C3(C)C)[C@@]21C	2356552391	NYVDTZCCCWPPPG-BXKLLYQPSA-N	218.340	3.594	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC(=O)[C@H](C)C=CC1)C2(C)C	2356791674	IVSYUUYCIXEKDQ-JHJVBQTASA-N	218.340	3.760	0	1	BHAF	
CC(=O)CC[C@@H]1[C@H](c2cocc2C)C1(C)C	15120120	YZGADWCWZVPJOQ-OLZOCXBDSA-N	220.312	3.697	0	1	BHAF	biogenic
CCCc1cccc(C(=O)c2ccccc2)c1O	28759822	DEDYLFIXLIFBAN-UHFFFAOYSA-N	240.302	3.576	0	1	BHAF	
CC[C@@H](C)C(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C	103822373	CEVCMCWHMHJEQS-YXMPFFBPSA-N	238.371	3.791	0	1	BHAF	in-man
FC(F)(F)Cc1cssc1=S	299837986	PURJETHGRQAKTB-UHFFFAOYSA-N	216.274	3.644	0	1	BHAF	
CCCN1CCC[C@@H](c2cccc(C)c2C)C1	13782149	AORDKZRSVBDZJZ-OAHLLOKOSA-N	231.383	3.893	0	1	BHAF	in-vivo
C[C@H]1CCC[C@]2(C)CC[C@H](C(C)(C)NC=O)C=C12	38841860	XJNGSVNNIXUPGR-HEHGZKQESA-N	249.398	3.674	0	1	BHAF	
CC1(C)OC2(C3CCCC3)CCC1CC2	85543415	NCTYOBRSSQDBND-UHFFFAOYSA-N	208.345	3.914	0	1	BHAF	biogenic,in-vitro
CC(C)=CCN1CC[C@H]2C[C@@H](C1)c1ccccc12	169317177	GNQXELSVHUVORN-GJZGRUSLSA-N	241.378	3.929	0	1	BHAF	
CC(C)=C1CC[C@@](C)(O)[C@H]2CC[C@@H](C)C[C@H]12	238788955	IZVJDVQPCGYZOX-REBRKWNGSA-N	222.372	3.920	0	1	BHAF	
Clc1cccc(-c2ccc3c[nH]nc3c2)c1	1857635639	ZVWBRBREVWNKAL-UHFFFAOYSA-N	228.682	3.883	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CCC(C)=CCC1)[C@]2(C)CO	2356385321	XQMLUDKCNROUCA-KFWWJZLASA-N	220.356	3.698	0	1	BHAF	
CC1=C(CO)C[C@]2(C)CC[C@H](C)[C@@H](C)[C@]12C	2356387935	LQSXQOJTPQIGMH-IDTSFGKNSA-N	222.372	3.778	0	1	BHAF	
CC(=C[C@@H]1CC2=C(C)CC[C@@H]2[C@@H](C)C1)C(=O)O	2356643185	KEXOELSKKSEHAC-CYZMBNFOSA-N	234.339	3.790	0	1	BHAF	
c1ccc([C@H]2CN3CCC[C@H]3c3ccccc32)cc1	27323007	KJHWRRVSXANANB-MSOLQXFVSA-N	249.357	3.969	0	1	BHAF	
CC1=C[C@@H]2[C@H]3CC=C(C)[C@]2(CC1)OC3(C)C	238738398	JQNDHAYUYJSOKV-NFAWXSAZSA-N	218.340	3.857	0	1	BHAF	
CC1=C[C@@H]2c3cc(O)ccc3OC(C)(C)[C@@H]2C=C1	238777019	OXTPGPPCBJDVHZ-TZMCWYRMSA-N	242.318	3.779	0	1	BHAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCCC[C@H]2C1	238778804	LFQGNVKBZIFOGJ-MBNYWOFBSA-N	210.361	3.754	0	1	BHAF	
C[C@@H]1c2ccoc2[C@@H]2O[C@@H]3C[C@H](C)[C@]2(C)[C@]13C	2356541871	YWGVXUNGKBSLEW-JSKDHCJISA-N	232.323	3.889	0	1	BHAF	
Cc1nc2ccccc2cc1N1CCC[C@@H]1C	299855633	BCDJEXFSMTVVDB-NSHDSACASA-N	226.323	3.532	0	1	BHAF	
CCCN[C@@H](CC)Cc1ccc(SC)cc1	48998364	BVNCGPDTVNALJQ-ZDUSSCGKSA-N	237.412	3.729	0	1	BHAF	in-vivo
Fc1cccc2c1[C@@H](C1CCCC1)n1cncc1-2	1857575247	ZEMXXHIUWHXBHY-OAHLLOKOSA-N	242.297	3.782	0	1	BHAF	
C[C@H]1CCCC=CCCC=CC=CC(=O)O1	2356621247	SWGHGMVUPRMHSQ-ZDUSSCGKSA-N	220.312	3.551	0	1	BHAF	
Nc1ccc2c(c1)C=C/C2=C\c1ccccc1	36381087	CWQPNXPGZYCTBW-JLHYYAGUSA-N	219.287	3.836	0	1	BHAF	
Nc1nccc2ccc(-c3ccsc3)cc12	45190343	XDJPXLMTUWQMIC-UHFFFAOYSA-N	226.304	3.546	0	1	BHAF	
CC[C@@H](C)c1nc2cc(Cl)nc(Cl)c2[nH]1	587954781	CHYMRPJAABZKLC-RXMQYKEDSA-N	244.125	3.778	0	1	BHAF	
O=C(O)[C@H](F)c1ccc(-c2ccccc2)c(F)c1	71315809	CWJJSDHDMHDMQL-CYBMUJFWSA-N	248.228	3.588	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CC[C@@H]3[C@@H](C3(C)C)[C@@]12O	14584355	OZQFXWFQYIVHRZ-AMVBZWJASA-N	222.372	3.610	0	1	BHAF	biogenic
C(=Cc1cnnc2ccccc12)c1ccccc1	1857622546	VQXIUGSZPAZYGV-UHFFFAOYSA-N	232.286	3.800	0	1	BHAF	
CCCC[C@H]1CCC[C@@]2(CC[C@@H](C)O2)O1	14917064	YJXRBYWOYOXYFN-AGIUHOORSA-N	212.333	3.641	0	1	BHAF	
CC1=C2C=C(C(C)C)CC[C@](C)(O)[C@H]2CC1	15264375	NIUNALSTZWFRAY-GJZGRUSLSA-N	220.356	3.840	0	1	BHAF	biogenic
CC(C)[C@@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H]([C@@H]13)[C@@]42C	238745986	XBWACJDEQIZTPR-NZDOLIBDSA-N	204.357	3.961	0	1	BHAF	
C=Cc1ccc(-c2nc3nccc(C)c3[nH]2)cc1	586881054	KEHFZOWPWMZRQW-UHFFFAOYSA-N	235.290	3.576	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2c(Cl)ccnc2[nH]1	586886532	CJUCUELNYVTJLW-JVXZTZIISA-N	235.718	3.515	0	1	BHAF	
CC=CC=CC=CC=CCC[C@H](O)CC	2356506890	MDEBZXWDIHBXDZ-CQSZACIVSA-N	206.329	3.782	0	1	BHAF	
CC1=CN(Cc2ccc(Cl)cc2)[CH]C=C1	2356822718	QCZDPOFGJXDGND-UHFFFAOYSA-N	218.707	3.777	0	1	BHAF	
CC1=NCCc2cc3[nH]c4ccccc4c3cc21	5053039	IPFHPGYODRLHBL-UHFFFAOYSA-N	234.302	3.686	0	1	BHAF	
Nc1c2c(nc3cc(Cl)ccc13)[C@@H]1CC[C@H]2C1	27996138	SSQDPTTWVYJYFB-JGVFFNPUSA-N	244.725	3.835	0	1	BHAF	
CC(C)[C@H]1CC[C@@H](C)c2ccc(CO)cc21	32165005	LXEZVXMZNKFZNA-DGCLKSJQSA-N	218.340	3.816	0	1	BHAF	
CCCC(=O)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	238780203	ZJAJBNKKRUUSMK-SUNKGSAMSA-N	208.345	3.818	0	1	BHAF	
Cc1ccc(F)c2c1[nH]c1cc(F)ccc12	653689048	TTYNWDYONJSLSX-UHFFFAOYSA-N	217.218	3.908	0	1	BHAF	
C[C@H]1C[C@H]2O[C@H]3c4occc4[C@H](C)[C@@]2(C)[C@@]13C	2356541874	YWGVXUNGKBSLEW-RBPVSFILSA-N	232.323	3.889	0	1	BHAF	
c1ccc(CCCCCN2CCCCC2)cc1	13736083	MRACOXALPXCQLZ-UHFFFAOYSA-N	231.383	3.885	0	1	BHAF	
Clc1ccccc1-n1cnc2ccccc21	13782598	KKWAJIZEMVNGCP-UHFFFAOYSA-N	228.682	3.679	0	1	BHAF	
CN(C)C[C@H]1C[C@@H]1c1ccc2ccccc2c1	28960433	HCOYSMZXQIWWOK-HZPDHXFCSA-N	225.335	3.505	0	1	BHAF	
CC1=C2C/C=C(\C)CC/C=C(/C)C[C@H]2OC1=O	31970675	SLGKCOCDZZQQLY-VNFVSKSXSA-N	232.323	3.695	0	1	BHAF	
C[C@]12CC[C@H](c3ccc(O)cc3)C[C@H]1CCC2=O	66100556	CQXOEKVDLFCWTB-ZENOOKHLSA-N	244.334	3.645	0	1	BHAF	
C[C@H]1C=CC2=C[C@H](C)CC[C@@H]2/C1=C/CC(=O)O	84669649	KACFUDDYHBRTGQ-ZNGIGPCCSA-N	232.323	3.566	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)C[C@]3(C)CC[C@@H]1[C@]23O	254209913	ZCRYDCBITZERMT-MIBAYGRRSA-N	222.372	3.610	0	1	BHAF	
CCc1cc(O)c(Oc2cccnc2C)cc1F	584904870	VHXDJFGLVVJBNS-UHFFFAOYSA-N	247.269	3.589	0	1	BHAF	in-vitro
CN(C)C12C[C@]3(C)CC(C[C@@]3(C)C1)C2(C)C	103029938	BCXGXPCLFPQFLI-IFFKYPLHSA-N	221.388	3.543	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@@H](CO)[C@H]3CC[C@H]2[C@H]3C1	103204439	FUMSNMATQPPKKU-SMSYFYOWSA-N	236.399	3.857	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]41)CC2	587215252	KGTRMPPMBAETQE-KUDNYVPYSA-N	247.341	3.944	0	1	BHAF	
Clc1cc(-c2ccccc2)c2cn[nH]c2c1	653854516	QHDWHCBIHPDKKB-UHFFFAOYSA-N	228.682	3.883	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@H]2CC=C(C)[C@H]12)C(=O)O	2356538482	FUHPCDQQVWLRRY-OLRMPSLUSA-N	234.339	3.646	0	1	BHAF	
Cc1cccc(C2=N[C@H](c3ccccc3)CO2)c1	38791971	OHUQDMYICXLYFL-HNNXBMFYSA-N	237.302	3.513	0	1	BHAF	
CC[C@H](C)C(=O)O[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C	103822377	CEVCMCWHMHJEQS-ASHKBJFXSA-N	238.371	3.791	0	1	BHAF	in-man
[C-]#[N+]c1ccccc1/C=C/c1ccncc1	473112607	FQPCNIWDYSUUGR-VOTSOKGWSA-N	206.248	3.803	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@H](C)C(=O)C=C12	14918243	MTZVTPNRLNIWQL-SCRDCRAPSA-N	218.340	3.760	0	1	BHAF	biogenic
CC[C@H]1CN(c2ccc(C(C)C)cc2)C(=O)O1	29407484	AXPNACXPTWUWFJ-ZDUSSCGKSA-N	233.311	3.545	0	1	BHAF	
C=C1CCC[C@H](C(=O)O)CC[C@@H]2[C@H]1CC2(C)C	14920578	RKHVEZWVFYPTNH-RWMBFGLXSA-N	236.355	3.870	0	1	BHAF	biogenic
Clc1ccc([C@@H]2NN=C3CCCC[C@H]32)cc1	42988611	WMORHWXOUHZOQJ-YPMHNXCESA-N	234.730	3.531	0	1	BHAF	
C[C@]12N[C@@H](c3ccccc31)[C@@H](F)c1ccccc12	100649103	ZALAPTYRPBPOQR-HRCADAONSA-N	239.293	3.619	0	1	BHAF	
CC[C@H](C)Cc1cc2c3c(cccc3n1)CC2	587214350	SIKPWQVZYKWOIA-NSHDSACASA-N	225.335	3.922	0	1	BHAF	
Cc1cccnc1-c1[nH]c2cccc(F)c2c1C	587637025	TXJIXTNAAZTPOF-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
CC1(C)C[C@@H]2[C@H]1CCC1=CCC[C@@]2(O)CC1	2356727957	UUFHSKASMKIFRT-UMVBOHGHSA-N	220.356	3.674	0	1	BHAF	
O=C(O)Cc1cccc2c1sc1ccccc12	480908	JVQMEOLNEXMAJE-UHFFFAOYSA-N	242.299	3.682	0	1	BHAF	
C[C@@H]1CC=CC2=CC[C@H](C(C)(C)O)C[C@]21C	15200558	WINATCPPCIWJCQ-ZLDLUXBVSA-N	220.356	3.696	0	1	BHAF	biogenic,in-vitro
CCCCC/C=C/C=C/C(=O)N1C=CCCC1	34294312	XONHEUHVKZYWGU-ZICOIJLXSA-N	233.355	3.815	0	1	BHAF	
COC(=O)[C@@H](C)c1ccc(C)c2ccc(C)c-2c1	36471038	YOHSPPFBWCCIPD-LBPRGKRZSA-N	242.318	3.685	0	1	BHAF	
Nc1nc2cc(Oc3ccccc3)ccc2s1	145578221	DNACFMPDZLFUKD-UHFFFAOYSA-N	242.303	3.671	0	1	BHAF	
CC1(C)CCC[C@@]2(C)CC=C(C(=O)O)[C@H]3C[C@]312	156651523	QATLFHOGPLMQHU-UGFHNGPFSA-N	234.339	3.624	0	1	BHAF	
C[C@@]12N[C@H](C[C@@H]3CCCC[C@@H]31)[C@H]1CCCC[C@H]12	169289876	FHRWBXVLMJUUQU-YZXKGSGOSA-N	233.399	3.733	0	1	BHAF	
Cc1cncc2nc(CC3CCCCCC3)[nH]c12	587961412	SVMSMQZABFCYFH-UHFFFAOYSA-N	243.354	3.779	0	1	BHAF	
CC1=CC[C@H]([C@]2(C)CCC(=O)C(C)(C)O2)CC1	5767129	MJWZYBQLHJQQJJ-WFASDCNBSA-N	236.355	3.650	0	1	BHAF	biogenic
C=CC(C)(C)C(=O)[C@@H](C)[C@H]1CC[C@@](C)(C=C)O1	13373092	GJHJZCGMDGIUKC-YWPYICTPSA-N	236.355	3.528	0	1	BHAF	biogenic
CCCN1CCC[C@H](C2CCC(C)CC2)C1	13492919	DDCRYECRYFHCST-NRXISQOPSA-N	223.404	3.935	0	1	BHAF	
CC1=CC[C@@]2(O)[C@@H](C)CCCC(C)(C)[C@H]2C1	14439424	YKKOCJJTUUOJTC-GZBFAFLISA-N	222.372	3.920	0	1	BHAF	
CC1=C2CC[C@H](C)C[C@H]2C(C)(C)C[C@H](O)C1	14439428	CNORBICYYYYTFY-ZKYQVNSYSA-N	222.372	3.920	0	1	BHAF	biogenic
C/C=C/c1c(CC)c2n3c1CC[C@H]3CCC2	14611847	XHXBPJIMQMOKPK-ZXCPCRMDSA-N	215.340	3.907	0	1	BHAF	
Cc1ccc([C@H](C)Cc2cc(C=O)co2)cc1	15222320	GLXQKYBTMUEFDJ-GFCCVEGCSA-N	228.291	3.747	0	1	BHAF	biogenic
CC1=CC[C@H]2[C@@H](CO)CC[C@@H](C(C)C)[C@@H]2C1	36471789	ISYMMRJPYSWIPM-QPSCCSFWSA-N	222.372	3.633	0	1	BHAF	
Oc1ccc(/C=C/c2cc(F)cc(F)c2)cc1	42920133	WPKUVKLNUGQNFZ-OWOJBTEDSA-N	232.229	3.841	0	1	BHAF	
C=CC(=O)Nc1cccc([C@H](CCCC)OC)c1	53229574	IIEKAKWVAHSCSU-AWEZNQCLSA-N	247.338	3.689	0	1	BHAF	
C=C/C=C\C=C\CCCCCCOC(C)=O	59725089	MJZHEIHTZZJYOP-SCFJQAPRSA-N	222.328	3.798	0	1	BHAF	
Clc1cccc(Nc2n[nH]c3ccccc23)c1	137897326	WMEJXKVBKAQAOD-UHFFFAOYSA-N	243.697	3.960	0	1	BHAF	
CC1(Cc2cc3c4c(cccc4n2)CC3)CC1	587213199	HFNQCVPBCKVTKN-UHFFFAOYSA-N	223.319	3.676	0	1	BHAF	
C[C@@H]1CCC=C2CC[C@H](c3cc3=O)C[C@@]21C	2356413612	GKIKMPZURPYPCN-JRPNMDOOSA-N	216.324	3.553	0	1	BHAF	
CC1=CCC2=C(C)C[C@H]3OC(=O)C(C)=C3C[C@]12C	2356450149	JTFFVJQNSXOGKP-GDBMZVCRSA-N	244.334	3.695	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)C(C)=CC[C@]2(O)C(C)C	13381203	KITGSZPHAYLHEM-KFWWJZLASA-N	220.356	3.696	0	1	BHAF	biogenic
Clc1ccc([C@H]2NN=C3CCCC[C@H]32)cc1	42988609	WMORHWXOUHZOQJ-DGCLKSJQSA-N	234.730	3.531	0	1	BHAF	
O=c1cc(C2CCCCC2)oc2ccccc12	96910038	AIGWODDPIHRSKD-UHFFFAOYSA-N	228.291	3.841	0	1	BHAF	
C/C=C/c1nc2ccccc2c(OC(C)=O)c1C	103290320	UMTROUXCRYZKPI-QPJJXVBHSA-N	241.290	3.502	0	1	BHAF	
CCC[C@@H](CCn1cncn1)c1ccc(C)cc1	1857635851	LSTOIOGQMPLWCY-AWEZNQCLSA-N	243.354	3.561	0	1	BHAF	
CC1(C)CC=C[C@]23C=Cc4occc4[C@H]2[C@@H]13	2356669384	ZMTRKLHXJVZION-YDHLFZDLSA-N	212.292	3.992	0	1	BHAF	
CC1=Nc2ccccc2N[C@H](c2ccoc2)C1	5499102	ONXPPDDQLOKPDH-AWEZNQCLSA-N	226.279	3.929	0	1	BHAF	
Oc1ccc(-c2nc3ccccc3o2)cc1Cl	28964562	MMRWATBCSASKAI-UHFFFAOYSA-N	245.665	3.854	0	1	BHAF	
CC1(C)[C@H]2CC[C@]1(C)[C@@H](C1CCC(O)CC1)C2	31351996	LFHQKYSBKVWWOS-SVSFFLDXSA-N	236.399	4.000	0	1	BHAF	
CCCc1cc2c(N)nc3ccccc3c2o1	96914106	FMOXFRPLVVACMP-UHFFFAOYSA-N	226.279	3.516	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC1)[C@@H](C)CC[C@]2(O)C(C)C	231128244	MUROKQYXIPVTGD-XQLPTFJDSA-N	222.372	3.776	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](CO)[C@@H]2CC1	2356322912	DESINCNMOXBQLZ-CBBWQLFWSA-N	222.372	3.633	0	1	BHAF	
c1ccc2c(c1)CCCN1CCc3ccccc3[C@@H]21	1856965	OOHYIVGZZGASFD-GOSISDBHSA-N	249.357	3.580	0	1	BHAF	
CC1=C2CCC(CO)=C[C@H]2[C@H](C(C)C)CC1	13381147	PSCGCYQLAZATGE-ZFWWWQNUSA-N	220.356	3.698	0	1	BHAF	biogenic
CC1(C)CCC[C@]2(C)[C@@H]3CCOC(=O)C3=CC[C@@H]12	14765049	NSOSZHUQSHPOOM-DVOMOZLQSA-N	248.366	3.712	0	1	BHAF	biogenic
C[C@H]1c2ccoc2C[C@@]2(C)[C@H](C)CC(=O)[C@]12C	15194520	LJFIDWTVIFBAAF-QPNXVFALSA-N	232.323	3.561	0	1	BHAF	biogenic
CC1(C)C[C@H](c2ccoc2)c2ccc(O)cc2O1	169327618	UEUDQDLOIUYWAQ-CYBMUJFWSA-N	244.290	3.678	0	1	BHAF	
CCCCCC[C@@H](C)/C=C(C)/C=C\C(N)=O	206512377	SQTPXUBCYVVRHH-IVPFPSDSSA-N	223.360	3.581	0	1	BHAF	
CC1=C2C[C@H](C(C)C)C[C@H](O)[C@@]2(C)CCC1	238733966	WWULHQLTPGKDAM-QEJZJMRPSA-N	222.372	3.920	0	1	BHAF	
CCc1cc2c(C)cc(=O)oc2c2c(C)coc12	1857745947	VNHMNLOASNUUJH-UHFFFAOYSA-N	242.274	3.718	0	1	BHAF	
CC(C)=CCC=C1C[C@@H](CO)C(C)(C)[C@H]1C	2356427822	NTDRGEQLNBGQNX-JSGCOSHPSA-N	222.372	3.944	0	1	BHAF	
C=CCCC[C@@H](C)[C@H]1CCC(C)=CC1=O	14592375	CMFRIKLCLXGUBM-CHWSQXEVSA-N	206.329	3.904	0	1	BHAF	biogenic
CCC1=CCCC(C)(C)[C@@]12C=C[C@@H](C)O2	38634841	NHJSLVJXXDHDRV-BXUZGUMPSA-N	206.329	3.857	0	1	BHAF	endogenous,in-man
C(=C1CCC1)c1nc2ccc3ncccc3c2[nH]1	587964761	HHUXASBAVFLPLV-UHFFFAOYSA-N	235.290	3.678	0	1	BHAF	
CC1=C[C@@H]2C(=C[C@@H]1O)[C@H](C)CC[C@H]2C(C)C	2356328996	PDDMWQFBZZFOQR-WCUVEOEZSA-N	220.356	3.552	0	1	BHAF	
COc1cccc(/C(C)=C/CN2CCCCC2)c1	73160706	CQCTZULDBSECDK-NTEUORMPSA-N	245.366	3.584	0	1	BHAF	
[C-]#[N+]c1ccc(/C=C/c2ccccn2)cc1	473114363	NCHKMPYXLBIHKD-JXMROGBWSA-N	206.248	3.803	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2ccnc(Cl)c2[nH]1	586891432	QYUFORBOUZDBPL-MADCSZMMSA-N	235.718	3.515	0	1	BHAF	
Oc1ccccc1/C=C/c1ccc(F)c(F)c1	28119332	ZTWNLNYJDCMSFF-FNORWQNLSA-N	232.229	3.841	0	1	BHAF	
c1ccc(-c2cccc(-n3ccnc3)c2)cc1	79427285	HGZNKHJCDHAXJE-UHFFFAOYSA-N	220.275	3.539	0	1	BHAF	in-vitro
CC1=CCC[C@]2(C)C[C@H](CO)C(C)(C)[C@]12C	2356446933	SLMBSGIDLMLPQD-YUELXQCFSA-N	222.372	3.778	0	1	BHAF	
CC(C)C1=C[C@]2(NC=O)[C@@H](C)CCC[C@]2(C)CC1	2356796875	NOPZWTVBAVQKHG-IMJJTQAJSA-N	249.398	3.674	0	1	BHAF	
C/C=C\c1c(CC)c2n3c1CC[C@@H]3CC=C2	39019005	FLBBRRZFRKLKMF-UUSYTGMJSA-N	213.324	3.988	0	1	BHAF	
CN1[C@@H]2Cc3ccccc3[C@@]1(C)[C@H]1CCCC[C@H]12	82110829	LGEKADIHPOTMRU-XBVQOTNRSA-N	241.378	3.578	0	1	BHAF	
COC(=O)C1=C2C[C@@H]3CC[C@@H](C)[C@]2(CC1)C3(C)C	103146592	DGOUGOOBFKBPQX-GDLVEWKHSA-N	248.366	3.712	0	1	BHAF	
Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1	587211545	TVKGNVCLPVGDHR-UHFFFAOYSA-N	246.313	3.583	0	1	BHAF	
Clc1cc(Cl)c2[nH]c(CC3CC3)nc2c1	587959947	SVYNFLARXVLUCX-UHFFFAOYSA-N	241.121	3.822	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]3C[C@@](C)(CCC3=O)CC[C@H]21	2356330389	JLZBTPJKBKNFEG-UUIJZJDISA-N	220.356	3.818	0	1	BHAF	
CC(C)[C@H]1C=C[C@](C)(O)CCC=CCC1	2356695444	HLACYKWDKMDHMU-ZIAGYGMSSA-N	208.345	3.696	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1	13755474	KXRUBJYBRZXATJ-LSDHHAIUSA-N	217.356	3.665	0	1	BHAF	
CCC[C@@H]1CCC[C@@]2(CC[C@@H](CC)O2)O1	15205564	SSLBJYJOPLKJSL-UPJWGTAASA-N	212.333	3.641	0	1	BHAF	biogenic
CC(C)C1=CC[C@](C)(O)C2=CC[C@@H](C)[C@@H]2C1	15264281	ARYPFUHQFSBUIL-ZLDLUXBVSA-N	220.356	3.696	0	1	BHAF	biogenic
CC/C=C/CCCCCCCOC(C)=O	59725048	PRTUIHSPUMKFOO-SNAWJCMRSA-N	212.333	3.856	0	1	BHAF	
CCCc1ccc(Oc2cccc(F)n2)c(O)c1	95572725	AWZKYZSRHHWFEZ-UHFFFAOYSA-N	247.269	3.671	0	1	BHAF	
CCCN1CCC[C@H]([C@@H]2CCCC[C@H]2C)C1	261189959	YTVFAAGYKMNQLX-QLFBSQMISA-N	223.404	3.935	0	1	BHAF	
c1cc2nc(C3CCC3)[nH]c2c2c1CCCC2	586884538	OYDJHZZUUFMJDK-UHFFFAOYSA-N	226.323	3.709	0	1	BHAF	
CCC=Cc1cc(C)ccc1C=CCC(=O)O	2356619627	MZNZXYHSZFPYNI-UHFFFAOYSA-N	230.307	3.906	0	1	BHAF	
CC=CC=CCCC=CC(=O)NC[C@H](C)CC	2356629625	LWJDBUUOYULAFU-CQSZACIVSA-N	235.371	3.617	0	1	BHAF	
CCc1ccc2c(c1)Oc1ccccc1[S@]2=O	13779748	BQJREPACXANOEP-KRWDZBQOSA-N	244.315	3.521	0	1	BHAF	
CC(C)CNc1ncc(-c2ccc(Cl)cc2)[nH]1	72112319	BGECHNMRJKBIBX-UHFFFAOYSA-N	249.745	3.798	0	1	BHAF	
Cc1ccc([C@H](C)C[C@@H](O)CC(C)C)cc1	238788911	HVJMKUFWPYHXCM-HIFRSBDPSA-N	220.356	3.896	0	1	BHAF	
CC(=O)CC[C@@H]1C(C)=CC[C@H](C)C1(C)C	14557279	GOWGYNUJGXNVOU-WCQYABFASA-N	208.345	3.984	0	1	BHAF	biogenic
Cc1ccc2c(c1C)Cc1occc1CC2	14713306	MNDUESJSVMCJBR-UHFFFAOYSA-N	212.292	3.586	0	1	BHAF	biogenic
CC/C=C\CCCc1cc(=O)c2ccccc2[nH]1	15273388	NNRQRIKGBJBXDO-ARJAWSKDSA-N	241.334	3.817	0	1	BHAF	
Cc1cc(C=O)c2c(C)cc3c(cc1-2)[C@@H](C)CO3	238787288	WRIJUQFHZMTCMT-NSHDSACASA-N	240.302	3.717	0	1	BHAF	
CC(CO)=C1CC(C)(C)C[C@@H]2[C@H](C)CC[C@@H]12	2356817243	DJBXKQSFHIRXRM-RAIGVLPGSA-N	222.372	3.778	0	1	BHAF	
C1=C(c2ccc3ccccc3c2)C2CCN1CC2	1494924	JKZIHTVDOWOJTC-UHFFFAOYSA-N	235.330	3.906	0	1	BHAF	
CC1=CC[C@@H]2C[C@H]1[C@@]2(C)CC/C=C(/C)CO	13376489	JGINTSAQGRHGMG-KAIHXKKWSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
C/C=C1C(=O)O[C@H]2CCC/C(C)=C\CC\C=C\12	33832829	BLDMEGILGNNZET-TXXHCKQDSA-N	232.323	3.695	0	1	BHAF	
CC(=O)CC[C@@H]1[C@@H](c2cocc2C)C1(C)C	15120118	YZGADWCWZVPJOQ-CHWSQXEVSA-N	220.312	3.697	0	1	BHAF	biogenic
CC(C)C1=C[C@H]2[C@@](C)(CCC[C@@]2(C)O)CC1	15209587	PBGYWCDUYHJYFV-SOUVJXGZSA-N	222.372	3.920	0	1	BHAF	biogenic
COc1cccc(/C=C/c2cccc(O)c2)c1	136752291	LIVMENHPEPJTJV-CMDGGOBGSA-N	226.275	3.571	0	1	BHAF	
CCCCCCC(=O)OC[C@H](C)CC	139181531	NEYFHTHRJVQMPA-LLVKDONJSA-N	200.322	3.546	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(Cl)cnc2[nH]1	586888364	IRKLQPWUWVEZRY-UFBFGSQYSA-N	235.718	3.515	0	1	BHAF	
CCCC/C=C/c1nc2ccc(F)cc2[nH]1	587964698	BIVFQSMOKFBDJD-AATRIKPKSA-N	218.275	3.905	0	1	BHAF	
Cc1occc1[C@H]1NCCc2c1sc(C)c2C	963015187	WNLDKICVGIVCFS-CYBMUJFWSA-N	247.363	3.501	0	1	BHAF	
C[C@]12CC=C3c4ccccc4CC[C@@H]3N1CCC2	1772637216	FQHFJJDTSZRGCU-IRXDYDNUSA-N	239.362	3.643	0	1	BHAF	
Cc1scc(CN2C[C@@H](C)C[C@@H](C)C2)c1C	6895128	LFEMHSHTXPYFMX-PHIMTYICSA-N	237.412	3.843	0	1	BHAF	
C=C(C(=O)O)C1=C2C=C(C)CC[C@@H]2[C@H](C)CC1	13381533	TYEINKOPUFHKES-ZYHUDNBSSA-N	232.323	3.710	0	1	BHAF	biogenic
Cc1c(C(F)(F)F)[nH]c2cccc(F)c12	587634325	YXEMUNUYCSOITM-UHFFFAOYSA-N	217.165	3.634	0	1	BHAF	
CC(=O)c1c(F)cc2c(c1F)CCCC2(C)C	38813586	OXMMFDJZWKVXQE-UHFFFAOYSA-N	238.277	3.781	0	1	BHAF	
Cc1ccc(Oc2ccccc2CN(C)C)cc1	40848325	ZQZLOZOZZUMOJF-UHFFFAOYSA-N	241.334	3.849	0	1	BHAF	
CC1=C[C@@H]2Cc3occc3C[C@H]2C(C)(C)C1	2356804005	AAEHWUCEENMLER-CHWSQXEVSA-N	216.324	3.987	0	1	BHAF	
CCC1(CC)C2C[C@@H]3C[C@@H](C2)CC1(N(C)C)C3	103028746	UJOAOIJAOPUIOZ-ILGZHXLLSA-N	235.415	3.933	0	1	BHAF	
CC1=C2CC[C@H](C)[C@@H]2CC(C)(C)C[C@@H](O)C1	2356340470	PXKJCWZAMAFFIW-JKOKRWQUSA-N	222.372	3.920	0	1	BHAF	
COc1c2c(c3ccccc3c1O)[C@H]1C=C[C@@H]2C1	1633836	ISTNMYZRHAPWOD-VHSXEESVSA-N	238.286	3.695	0	1	BHAF	
Cc1cccc(-c2cc3ncccc3cn2)c1	28826019	QFKQBMHTZFGQHK-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	in-vivo
C[C@H]1CC[C@]2(O)[C@H]3C[C@H](CC[C@@H](C)[C@@H]13)C2(C)C	2356365192	HKGFZBDJALFJBU-JCIWRNDVSA-N	236.399	3.856	0	1	BHAF	
CC1=CC[C@]2(CC1)[C@@H](C)CC[C@@H]2C(C)(C)O	13307528	XDVDHFJMCJWDPI-GUTXKFCHSA-N	222.372	3.920	0	1	BHAF	biogenic
C[C@@H]1CC[C@@H](c2ccoc2)N2CCCC[C@@H]12	14959633	IUJJCTCKEGZSSR-XBFCOCLRSA-N	219.328	3.605	0	1	BHAF	biogenic
C[C@H]1CC[C@@H]2C1=C[C@H](C(C)(C)O)CC[C@@H]2C	15265225	JSCBEOXFGCAOKV-RVMXOQNASA-N	222.372	3.776	0	1	BHAF	
CC1=C2[C@H](O)C[C@H](C)[C@]23CC[C@H](C3)C1(C)C	100302374	ZRRTYQUKAJCICD-AYIJCJCZSA-N	220.356	3.530	0	1	BHAF	in-vitro
CC(C)[C@@H]1Cc2nc3cccc4c3c(c21)CC4	587215706	SGTFDRYGINOKJP-LBPRGKRZSA-N	223.319	3.629	0	1	BHAF	
Nc1c(-c2ccccc2)[nH]c2cc(F)ccc12	587635729	MEJVJECQHSLQAX-UHFFFAOYSA-N	226.254	3.556	0	1	BHAF	
CC1(C)CC=C[C@]2(C)C[C@@H](CO)C(C)(C)[C@H]12	2356668142	FZQSFFXBKWKOFG-SLEUVZQESA-N	222.372	3.633	0	1	BHAF	
CC1=CC[C@H](O)C(C)=C[C@H]2[C@H](CC1)C2(C)C	2356746922	AMZJPZQKYICVMX-IHRRRGAJSA-N	220.356	3.696	0	1	BHAF	
CC1=CC2=C(C)C(=O)OC2=C[C@]12CCC[C@@H]2C	14713698	KUNRAMULIXAXIK-VFZGTOFNSA-N	230.307	3.510	0	1	BHAF	biogenic
Nc1ccc(Cl)cc1[C@@H](N=O)c1ccccc1	230604325	MUEZWNWWQORDQS-ZDUSSCGKSA-N	246.697	3.778	0	1	BHAF	
COc1ccc2ncc(-c3ccsc3)cc2c1	3832230	SQHKULNLQJHPDX-UHFFFAOYSA-N	241.315	3.972	0	1	BHAF	in-vivo
C/C(=C/c1cc(C)co1)CCCC1=CC(=O)OC1	14592367	NQGBYHSLVPPGLA-WDZFZDKYSA-N	246.306	3.645	0	1	BHAF	
CN1[C@@H]2CCc3ccccc3[C@]1(C)c1ccccc12	100649198	GDTARIWTSCFMEK-QZTJIDSGSA-N	249.357	3.883	0	1	BHAF	
Cc1sc(C)c2c1CCC[C@@H]2c1c[nH]cn1	3923487	AOQYWVCOSJELMS-LLVKDONJSA-N	232.352	3.556	0	1	BHAF	
Fc1cc(Cl)cc2nc(C3CCC3)[nH]c12	586883922	IQRUMOAQASCUTE-UHFFFAOYSA-N	224.666	3.623	0	1	BHAF	
Fc1cccc2c1[C@H](C1CCCC1)n1cncc1-2	1857575246	ZEMXXHIUWHXBHY-HNNXBMFYSA-N	242.297	3.782	0	1	BHAF	
CCCN(CCC)[C@H]1CCc2cccc(C)c2C1	13732313	LHGMAZXBORAQSD-INIZCTEOSA-N	245.410	3.974	0	1	BHAF	
CC(C)CC(=O)OCC1=CC[C@H]2C[C@@H]1C2(C)C	14657482	TVGPYTOYKLZBPA-STQMWFEESA-N	236.355	3.568	0	1	BHAF	endogenous,in-man
CCOc1ccccc1Nc1cccc(C)n1	28528756	OZDFGJHFBLXCNX-UHFFFAOYSA-N	228.295	3.532	0	1	BHAF	
C[C@@H]1CCC/C=C\C/C=C\CCCC(=O)O1	136897792	JSZKXZJGTWVDOI-LPFHBXDTSA-N	222.328	3.775	0	1	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@]3(C)CC[C@]12C[C@H]3O	238769240	CSTOJISGDOIIDQ-OGMFBOKVSA-N	222.372	3.610	0	1	BHAF	
CCN(C)C[C@H]1C[C@H]1c1cccc2ccccc12	253666899	HPZAIKAZTLALFB-RHSMWYFYSA-N	239.362	3.895	0	1	BHAF	
Cc1cc(Cl)cc2nc(C(C)(C)Cl)[nH]c12	587009252	YLXLEFACMBMWRM-UHFFFAOYSA-N	243.137	3.999	0	1	BHAF	
CC1=CCCC(=O)[C@@H]2CC(C)(C)[C@H]2CC1	606524118	MBZBBVTYLUNZPJ-NEPJUHHUSA-N	206.329	3.738	0	1	BHAF	
CN1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2	6438040	VLCYEEZZWPPQPM-IBHBGHMQSA-N	233.399	3.687	0	1	BHAF	
CCCC[C@@H]1CCC[C@]2(CC[C@H](C)O2)O1	13380547	YJXRBYWOYOXYFN-YNEHKIRRSA-N	212.333	3.641	0	1	BHAF	
CCc1nc(-c2ccccn2)cc2ccccc12	13781341	AUMCXSHLGHUARA-UHFFFAOYSA-N	234.302	3.859	0	1	BHAF	
c1ccc(-c2ccnc(-c3ccccn3)c2)cc1	26743954	VWOLLRYTQSHWSY-UHFFFAOYSA-N	232.286	3.811	0	1	BHAF	
COc1ccc(/C=C/c2ccccc2OC)cc1	28712368	JWDKGOAVRJBMNS-JXMROGBWSA-N	240.302	3.874	0	1	BHAF	
Cc1ccc(-c2ccc3cccnc3n2)cc1C	28826017	HNJUUHIKQMSRFO-UHFFFAOYSA-N	234.302	3.914	0	1	BHAF	in-vivo
Fc1ccccc1[C@H]1C=Cc2ccccc2O1	299837401	QRZFPOIUSDERSY-OAHLLOKOSA-N	226.250	3.973	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(Cl)ncc2[nH]1	586889705	MNJUFOOEYSHECP-KRTXAFLBSA-N	235.718	3.515	0	1	BHAF	
CC1=C2[C@H](O)C[C@H](C)[C@@]23CC[C@@H](C3)C1(C)C	2356580662	ZRRTYQUKAJCICD-BTABJRDXSA-N	220.356	3.530	0	1	BHAF	
CN1CC=C(c2ccc3ccccc3c2)CC1	13605849	LUPUKFNDUMPRQX-UHFFFAOYSA-N	223.319	3.559	0	1	BHAF	
C[C@H](CCC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	85845251	GDGGAJNITUJKMP-WNTVNYIQSA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
CC(C)=CCC[C@@H](C)[C@@]12CC[C@](C)(O)[C@H]1C2	100823541	IRDFGGRWKUKANK-KBXIAJHMSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
O=C(Nc1ccccc1)[C@H]1[C@H]2/C=C/CCCC[C@H]21	137763223	QAUWUDWLPNVUBH-GHODBHDNSA-N	241.334	3.618	0	1	BHAF	
CC(=O)O[C@H](C/C=C(/C)Cl)/C(C)=C/Cl	238764328	KMOWUHVWKJIQSZ-RHWILPCQSA-N	237.126	3.593	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cccc(F)c2[nH]1	586887164	FGIFJJIWMLNSCF-AMIZOPFISA-N	218.275	3.606	0	1	BHAF	
CC1=CC[C@@H]2[C@@H](CC(C)=CCC1)OC(=O)[C@@H]2C	2356471489	QJRFOUJEGHRZIU-HZSPNIEDSA-N	234.339	3.631	0	1	BHAF	
Fc1ccc2c(c1)CC/C2=C/c1cccnc1	13610771	WLUDJBASYYHRDC-WQLSENKSSA-N	225.266	3.708	0	1	BHAF	in-vivo
CC1=C[C@H]2C(=C(C)CC[C@@H]2C(C)C)[C@H](O)C1	59065789	NOCUZOKOOMNRCW-MGPQQGTHSA-N	220.356	3.696	0	1	BHAF	in-vitro
CC(C)=C[C@H](O)C[C@H](C)c1ccc(C)cc1O	2356400590	DAFWWLAEHTUEEF-STQMWFEESA-N	234.339	3.521	0	1	BHAF	
Cc1scc(CN2C[C@@H](C)C[C@H](C)C2)c1C	6895129	LFEMHSHTXPYFMX-QWRGUYRKSA-N	237.412	3.843	0	1	BHAF	
Cc1ccc2c(=O)[nH]c(-c3ccccc3)cc2c1	27524255	SYYBWJAZROEWQF-UHFFFAOYSA-N	235.286	3.504	0	1	BHAF	
S=c1[nH]ccn1CCCCc1cccs1	29551395	ICXNMHWLHPZDNU-UHFFFAOYSA-N	238.381	3.630	0	1	BHAF	
CO[C@@H]1OC=C[C@]12C[C@H]1C=C(C)CC[C@H]1C2(C)C	34552852	DUYMBGQPXANRME-KQTLUZQSSA-N	248.366	3.892	0	1	BHAF	
COc1cccc2c1Cc1c-2[nH]c2ccccc12	35855511	XYVGWMLAUJRXFE-UHFFFAOYSA-N	235.286	3.748	0	1	BHAF	
C[C@]12N[C@@H](Cc3ccccc31)C[C@H]1CCCC[C@@H]12	100659824	DMDUWMGEBWRLLD-OHFALNGGSA-N	241.378	3.626	0	1	BHAF	
CCC[C@H](c1nc2cncc(OC)c2[nH]1)C(C)C	587956586	TWZVYIAAPNOHHQ-JTQLQIEISA-N	247.342	3.506	0	1	BHAF	
CC=CC(C)=C[C@H](C)[C@@H](O)[C@@H](C)CCC	2356561205	TZAIZDJNSHBBJW-IHRRRGAJSA-N	210.361	3.942	0	1	BHAF	
CCCCC[C@@H](O)C[C@H](O)CCCC=CCl	2356606797	DOJFCHNSBVYWMU-CHWSQXEVSA-N	248.794	3.601	0	1	BHAF	
CC(C)C1=C2CC[C@H](C)[C@@H]2CC(C)(C)[C@H]1O	13379046	PFXZOGZHLWZMDT-JKOKRWQUSA-N	222.372	3.776	0	1	BHAF	biogenic
C[C@H]1CC[C@]2(C)[C@@H](C)C(=O)[C@@]3(C)CCC[C@]132	14558668	QPSMCUKAUIKAPQ-ULQWKZLWSA-N	220.356	3.818	0	1	BHAF	
CCCCCC[C@H]1OC(=O)c2ccccc21	28957504	VCTLNENHMYWCHT-CYBMUJFWSA-N	218.296	3.869	0	1	BHAF	
CC=C=CCN(C)c1cccc2c1CCCC2	29326552	AZCBWIICLJNNEW-UHFFFAOYSA-N	227.351	3.733	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@@H](CO)[C@H]2CC1	2356322911	DESINCNMOXBQLZ-BYNSBNAKSA-N	222.372	3.633	0	1	BHAF	
CN1CC=C(Cc2cccc3ccccc23)CC1	13651683	VMPZSTLSAFCGGY-UHFFFAOYSA-N	237.346	3.644	0	1	BHAF	
CC1=CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C=C12	15206786	ZGXJVMOLIQCZFN-DOMZBBRYSA-N	220.356	3.840	0	1	BHAF	biogenic
CC[C@H](C)Oc1cc2c3ccccc3nc-2c[nH]1	100640604	DKCNNHVHQYMVTO-JTQLQIEISA-N	240.306	3.845	0	1	BHAF	in-vivo
c1csc(-c2cncnc2-c2cccs2)c1	169496112	PMFHZVYYAQMCEL-UHFFFAOYSA-N	244.344	3.934	0	1	BHAF	
CC(C)=CCC[C@@H](CO)c1ccc(C)cc1O	214993574	FLGIEMGUCORVEU-ZDUSSCGKSA-N	234.339	3.523	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cccc(C)c2[nH]1	586886800	DBQWZEVMAGLAOV-YGRLFVJLSA-N	214.312	3.775	0	1	BHAF	
CC(C)C(=O)CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C	14690741	QCNPBJGLBGLMJY-GBZPBQOJSA-N	220.356	3.674	0	1	BHAF	biogenic
CC1(C)C[C@H]2CCCC[C@]2(N)c2ccccc21	26147497	FOWWAUKLSZHEHK-MLGOLLRUSA-N	229.367	3.712	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2c(Cl)ccnc2[nH]1	586886534	CJUCUELNYVTJLW-KRTXAFLBSA-N	235.718	3.515	0	1	BHAF	
CC=Cc1c(CC)c2n3c1CC[C@H]3CCC2	2356492161	XHXBPJIMQMOKPK-LLVKDONJSA-N	215.340	3.907	0	1	BHAF	
Cc1ccn2c(CSC3CCCC3)cnc2c1	27559454	QSEVSHMIZRBMLD-UHFFFAOYSA-N	246.379	3.819	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H](C)CC=C3C(=O)O[C@@H]1[C@@H]32	238785384	JRAJNCLSYAFYFH-LWTNXATQSA-N	248.366	3.567	0	1	BHAF	
CC(C)=Cc1cc2c3c(cccc3n1)CC2	587213958	MKLGTUNHQBDWRX-UHFFFAOYSA-N	209.292	3.757	0	1	BHAF	
Clc1ccc(Sc2ccccn2)cc1	336783	XMNYBSNPXLTZNF-UHFFFAOYSA-N	221.712	3.886	0	3	BHAF	
CCCCOn1c(CCC)nc2c(C)cccc21	1545412	ILBDOCHKSDQDFM-UHFFFAOYSA-N	246.354	3.526	0	1	BHAF	
c1ccc2c3c(sc2c1)[C@H]1CCCCN1CC3	27724295	IIJWWDRFLXTECC-CYBMUJFWSA-N	243.375	3.984	0	1	BHAF	
O=c1ccc2cc(-c3ccc(F)cc3)ccc2o1	72123498	PLSIUGKFKAWUTD-UHFFFAOYSA-N	240.233	3.599	0	1	BHAF	
Oc1ccccc1N1CCC[C@H]2CCCC[C@H]21	117168657	GSVFSJBIDHVUJE-CHWSQXEVSA-N	231.339	3.551	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)CCCCCC4)CC2	587214932	FYRCBQAUQAUMLW-UHFFFAOYSA-N	237.346	3.992	0	1	BHAF	
COCCCCCCCCC[C@@H](F)CC(=O)O	6482937	IBAFQAPYQVLHCQ-GFCCVEGCSA-N	248.338	3.566	0	1	BHAF	
CC1=CC[C@]2(CC1)[C@@H](C)CC[C@]2(O)C(C)C	13307522	LKCXXQCYAOULSO-KKUMJFAQSA-N	222.372	3.920	0	1	BHAF	biogenic
Cc1sc(C)c2c1CC(C)(C)Cc1c[nH]nc1-2	13537785	FDDQWPRDMQBRSP-UHFFFAOYSA-N	246.379	3.880	0	1	BHAF	
CN1CC=C(c2cccc3ccccc23)CC1	13605847	WPAFSNKIOIISOR-UHFFFAOYSA-N	223.319	3.559	0	1	BHAF	
Cc1nc(CC(C)C)cnc1Oc1ccccc1	26719442	VQFWHEXRDILCNY-UHFFFAOYSA-N	242.322	3.776	0	1	BHAF	
CCOc1ccc2[nH]nc(-c3ccccc3)c2c1	96270038	SWMLKEOAKLLLKM-UHFFFAOYSA-N	238.290	3.629	0	1	BHAF	
Fc1ccc2nc(C3(F)CCCCC3)[nH]c2c1	587132566	SMPIKWUQUUGFMD-UHFFFAOYSA-N	236.265	3.831	0	1	BHAF	
CCCCOc1ccccc1-c1ccno1	13530212	GCLVZVSTRWZGFK-UHFFFAOYSA-N	217.268	3.521	0	1	BHAF	
Cc1ccc2c(c1)O[C@H](c1cccs1)CC2=O	38977413	QSTGHUPMHMBTQU-ZDUSSCGKSA-N	244.315	3.763	0	1	BHAF	
C[C@@]12N[C@H](C[C@@H]3CCCC[C@@H]31)[C@H]1CCCC[C@@H]12	253632488	FHRWBXVLMJUUQU-OSLXHZNNSA-N	233.399	3.733	0	1	BHAF	
CC(C)[C@@H]1CC[C@@H](C)c2c(O)cc(CO)cc21	2356438290	ZCURUYBTMVDZFO-PWSUYJOCSA-N	234.339	3.521	0	1	BHAF	
Clc1cncc(Cl)c1/C=C/c1ccno1	45299776	KMLSDHICAKFHEI-OWOJBTEDSA-N	241.077	3.547	0	1	BHAF	
c1cncc(-c2csc(-c3cccnc3)c2)c1	47216034	KKVKVCZEAYHBCN-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
C[C@H]1C=C2C=C[C@H](C)[C@H](CCC(=O)O)[C@H]2CC1	84704600	AZUBMNMSJJDMQQ-XWUBHJNHSA-N	234.339	3.646	0	1	BHAF	
O=Cc1c(O)ccc2cc(-c3ccoc3)ccc12	169699690	AQTVUYSFYGRBFP-UHFFFAOYSA-N	238.242	3.618	0	1	BHAF	
CC1=C2CC[C@](C)(O)[C@@H]2[C@H]2[C@@H](CC1)C2(C)C	257418312	FPRYGNYXOFHMLF-COMQUAJESA-N	220.356	3.530	0	1	BHAF	endogenous,in-man
CCCC/C=C\c1nc2cc3cn[nH]c3cc2[nH]1	587965370	KUKRPVYXKNDYIO-WAYWQWQTSA-N	240.310	3.643	0	1	BHAF	
CC(=C[C@@H]1CC[C@@H](C)[C@@H]2CCC(C)=C12)C(=O)O	2356495791	FEBNTWHYQKGEIQ-ICCXJUOJSA-N	234.339	3.790	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@H]2[C@@H]1C[C@@H](C)C[C@H]2O	2356559392	INZGXHKIXAEGJY-BJBXXJATSA-N	222.372	3.776	0	1	BHAF	
C=CC(C)(C)C(=O)[C@@H](C)[C@@H]1CC[C@@](C)(C=C)O1	13373090	GJHJZCGMDGIUKC-SLEUVZQESA-N	236.355	3.528	0	1	BHAF	biogenic
C[C@@H]1CC[C@]23[C@H]1CC[C@@]2(C)CC(C)(C)[C@H]3O	34521213	LRIBGOUPVPELII-FMKNKJFCSA-N	222.372	3.610	0	1	BHAF	
CN(C)[C@@H]1CC[C@H](c2c[nH]c3cc(F)ccc23)C1	38436758	CGGMFFCJZMGDBV-CMPLNLGQSA-N	246.329	3.505	0	1	BHAF	
CC1=C[C@@H]2C(C)(C)CCC[C@H](C)[C@@]2(O)CC1	85867217	MZEVAYMCWKMJAY-GUTXKFCHSA-N	222.372	3.920	0	1	BHAF	
Oc1ccccc1-c1cc2c3c(cccc3n1)CC2	587216178	VMPVGWRTXIFTEB-UHFFFAOYSA-N	247.297	3.706	0	1	BHAF	
CCCC=C[C@]1(CC)C[C@@H](CC)[C@@](C)(O)O1	2356694296	YUFOLFJAYLDZGK-HZSPNIEDSA-N	226.360	3.647	0	1	BHAF	
CC(C)C1=C[C@]2(NC=O)[C@@H](C)CCC[C@@]2(C)CC1	2356796872	NOPZWTVBAVQKHG-BPUTZDHNSA-N	249.398	3.674	0	1	BHAF	
CC[C]1C=CN(Cc2ccccc2F)C=C1	2356844893	NPSQMALMLHYPHL-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
C/C=C/c1nc2ccc(OC)cc2n2cccc12	28642673	WIUHURJSZFGOLY-HWKANZROSA-N	238.290	3.529	0	1	BHAF	
Fc1ccc2[nH]c(/C=C/c3ccccc3)nc2c1	299870661	WQNHHLVSHCUGDW-RMKNXTFCSA-N	238.265	3.872	0	1	BHAF	
C[C@@H]1c2ccoc2[C@@H]2O[C@@H]3C[C@@H](C)[C@]2(C)[C@]13C	2356541873	YWGVXUNGKBSLEW-PMKYJIPRSA-N	232.323	3.889	0	1	BHAF	
CC(C(=O)O)=C1CCC2=CCC[C@H](C)[C@]2(C)C1	2356646954	VNECIGJTOXTUTM-BONVTDFDSA-N	234.339	3.934	0	1	BHAF	
Cc1ccc2ccccc2c1[C@@H]1CC=CC(=O)O1	72124596	NRBYLRIBVNIKBN-AWEZNQCLSA-N	238.286	3.692	0	1	BHAF	
Cc1coc2c1C(=O)C[C@@]1(C)CCC[C@]1(C)C2=O	149427326	QZPPZFXZTZJUHE-HUUCEWRRSA-N	246.306	3.554	0	1	BHAF	
Cc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	587968295	YWTOPZPPRBSUAK-QJPTWQEYSA-N	224.307	3.551	0	1	BHAF	
COCCCCCCCCC[C@H](F)CC(=O)O	6482926	IBAFQAPYQVLHCQ-LBPRGKRZSA-N	248.338	3.566	0	1	BHAF	
Cn1c2c(c3ccc(O)cc31)CCc1ccccc1-2	34801472	MZXLONQJNNQZJT-UHFFFAOYSA-N	249.313	3.650	0	1	BHAF	in-vivo
C[C@@]12CC[C@@H](C[C@@H]1O)[C@]2(C)C1CCCCC1	2356371887	SDSJHJFZCPITQJ-XQLPTFJDSA-N	222.372	3.754	0	1	BHAF	
CC(C)[C@H]1CC[C@@H](C)C2=CC=C(C(=O)O)[C@H]2C1	2356450110	IHNAAHBUSNYLDV-SUNKGSAMSA-N	234.339	3.646	0	1	BHAF	
CC1(C)CC=C[C@]23C=Cc4occc4[C@@H]2[C@H]13	2356669383	ZMTRKLHXJVZION-NFAWXSAZSA-N	212.292	3.992	0	1	BHAF	
CC(=O)CC[C@@H](C=C[C@@]1(C)CCCO1)C(C)C	2356686465	GPNLVCAPXPSJQB-LSDHHAIUSA-N	238.371	3.753	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)C(CO)=CC[C@@H]2C(C)C	12153202	XDKFSOYELINRIA-KFWWJZLASA-N	220.356	3.554	0	1	BHAF	biogenic
COc1ccc2c(c1)/C(=C/c1ccncc1)CC2	13610838	VFFWGGPPTWJBON-GXDHUFHOSA-N	237.302	3.577	0	1	BHAF	in-vivo
CC1(C)CCC[C@@H]2C(=O)O[C@@H](c3ccoc3)C[C@H]21	85837920	FFADPQLZGWESJY-YNEHKIRRSA-N	248.322	3.710	0	1	BHAF	
C1=C(/C=C/c2cccnc2)COc2ccccc21	103232387	MARJFOTUSREHEO-BQYQJAHWSA-N	235.286	3.571	0	1	BHAF	
Cc1[nH]c2ccc(F)c(Cl)c2c1N=O	587630179	HAUYHVTYDBUACI-UHFFFAOYSA-N	212.611	3.667	0	1	BHAF	
Cc1n[nH]c(C)c1Oc1ccc2ccccc2c1	1857653619	NUBRACGAHUQQPB-UHFFFAOYSA-N	238.290	3.972	0	1	BHAF	
C/C=C\c1ccc(OC(=O)/C(C)=C/C)cc1	14680243	UCQRFKUYPJOHMR-NQTKGXIKSA-N	216.280	3.591	0	1	BHAF	
c1ccc2c(c1)[C@@H]1C[C@H]2CCCN1CC1CC1	27523873	MWUBKKYEPJHFGH-CJNGLKHVSA-N	227.351	3.721	0	1	BHAF	
CCCCN1CCC[C@H](c2cccc(OC)c2)C1	29242369	NTZQJXOKNWIOLU-HNNXBMFYSA-N	247.382	3.675	0	1	BHAF	
CC1=CC[C@H]2C[C@H]1[C@]2(C)CC/C=C(/C)CO	100780005	JGINTSAQGRHGMG-GMRLKCGNSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
CC(C)(C)c1ccc2nc(C3=COCC3)[nH]c2c1	586913676	SMXHQYUXENWHEX-UHFFFAOYSA-N	242.322	3.622	0	1	BHAF	
Cc1ccc(CN2C(=N)Cc3ccccc32)cc1	1857583980	XYAXFSAUEXXILX-UHFFFAOYSA-N	236.318	3.535	0	1	BHAF	
CCCCCC[C@H](C)C=C(C)C=CC(N)=O	2356550279	SQTPXUBCYVVRHH-LBPRGKRZSA-N	223.360	3.581	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@@]12CC=C(CO)CC2	13307437	BQHRDXJFXULIGH-WFASDCNBSA-N	220.356	3.842	0	1	BHAF	biogenic
CCCCOC(=S)/C=C/c1ccccc1	73139084	HJFSSLOMJJMXDR-MDZDMXLPSA-N	220.337	3.844	0	1	BHAF	
Cc1c2n(c3c(C)c(Cl)ccc13)[C@H](C)NCC2	103277942	XRPHATNTVIIJKG-SNVBAGLBSA-N	248.757	3.576	0	1	BHAF	
S=c1nc2cc(Cl)c3ccc[nH]c3c2o1	169690145	PTNXEFUFIOYWNS-UHFFFAOYSA-N	236.683	3.692	0	1	BHAF	
CC1=C[C@H]2[C@@H]3C(=O)[C@@H]1[C@@]3(C)CCCC2(C)C	100780724	KKQDNHZABGRCAS-FUTJPDQTSA-N	218.340	3.594	0	1	BHAF	endogenous,in-man
CC[C@@]1(C)C[C@@H]1c1nc2cc(OC)c(F)cc2[nH]1	586891592	SDBGMFARNBJHAY-CLAHSXSESA-N	248.301	3.614	0	1	BHAF	
CC[C@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1	587955656	KGULQBHLECJHQU-YFKPBYRVSA-N	244.125	3.778	0	1	BHAF	
CC(C)=CC[C@@H]1Oc2cc(C)c(O)cc2[C@H]1C	2356794073	HSNGQEFVJJBZCD-RISCZKNCSA-N	232.323	3.921	0	1	BHAF	
Cc1cc(O)c2c(c1)oc1cc(O)cc(C)c12	2356810279	AXWZWBNCJWJORZ-UHFFFAOYSA-N	228.247	3.614	0	1	BHAF	
CC1=CN2[CH]C=CC(C)=C2N1Cc1ccccc1	2356820174	IUAIPKNQBYSKLH-UHFFFAOYSA-N	237.326	3.629	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)CC[C@]2(C)O	13381543	MTOMOICLIZNIAM-WFASDCNBSA-N	218.340	3.736	0	1	BHAF	biogenic
CC1=CC2=C([C@H](C)CO)CC[C@H](C)[C@@H]2CC1	14918004	GDKHIWBIRLCZPE-XQQFMLRXSA-N	220.356	3.698	0	1	BHAF	biogenic
CN[C@]12CC=CC[C@@H]1C[C@@H](C)c1ccccc12	29567661	DYWTYZQHULDNCR-XJKCOSOUSA-N	227.351	3.575	0	1	BHAF	
CCCCNCCCc1c[nH]c2ccc(F)cc12	66262197	MQFZSQWLAAKTRJ-UHFFFAOYSA-N	248.345	3.629	0	1	BHAF	
Clc1ccc(-n2ccc3ccncc32)cc1	73294258	GDMLGNYZIQPHPS-UHFFFAOYSA-N	228.682	3.679	0	1	BHAF	
C[C@@H]1C=C2C=C[C@H](C)C(=CCC(=O)O)[C@H]2CC1	2356424117	KACFUDDYHBRTGQ-MJVIPROJSA-N	232.323	3.566	0	1	BHAF	
CC1=CC[C@@]2(C)CC[C@@](O)(C(C)C)[C@@H]2CC1	13432660	HTJLBKLQZZOCAC-QLFBSQMISA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
C[C@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)CC[C@@]12C3	14764816	FKIMAXRXZJXZBA-LWWSYDQCSA-N	220.356	3.818	0	1	BHAF	biogenic
CC1=CC=C[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	15206775	AMZWKSYAMHGGSR-KCQAQPDRSA-N	220.356	3.696	0	1	BHAF	biogenic
CC1=C2C=C(C(C)(C)O)CC[C@@H](C)[C@H]2CC1	15264387	CIUNGYCNQVTWPX-ZWNOBZJWSA-N	220.356	3.840	0	1	BHAF	biogenic
Cc1cccc(-c2cnc3cccnc3c2)c1	28826033	OICHXALTVOUDOG-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	in-vivo
CO[C@@H]1/C=C(\C)Cc2occ(C)c2C/C=C(\C)C1	38321816	NWLNPDFDTSFGEU-NJNKKQILSA-N	246.350	3.984	0	1	BHAF	biogenic,in-vitro
C[C@H]1CC(=O)[C@]2(C)[C@@H](C)c3ccoc3C[C@]12C	85721499	LJFIDWTVIFBAAF-MISXLKTNSA-N	232.323	3.561	0	1	BHAF	
Cc1cccc(-c2ccccc2[C@H]2CCNC2)c1	96175929	DKALRZOTHIJKNZ-HNNXBMFYSA-N	237.346	3.739	0	1	BHAF	
CO[C@@H]1/C=C(/C)Cc2occ(C)c2C/C=C(\C)C1	111958574	NWLNPDFDTSFGEU-WDJZFKSXSA-N	246.350	3.984	0	1	BHAF	
CC[C@H](C)CCCCCCC(=O)c1cnc[nH]1	1911573134	BSAXEBBKIDPCSE-LBPRGKRZSA-N	236.359	3.979	0	1	BHAF	
CC(C)C1=C2CC[C@H](CO)CC[C@@]2(C)CC1	13432651	RVCIHQWCEFELJN-WFASDCNBSA-N	222.372	3.922	0	1	BHAF	biogenic
CC1=C2CC(C)(C)C[C@H]2[C@H](O)c2cocc2C1	15168810	ZWRLWJAFBLTMSQ-OCCSQVGLSA-N	232.323	3.622	0	1	BHAF	biogenic
CC(C)C1=C[C@H]2[C@H](CC[C@H]2C)[C@](C)(NC=O)CC1	2356543078	DSZDIXMKYIUPDP-DMRZNYOFSA-N	249.398	3.530	0	1	BHAF	
CCC[C@@H]1CC=C(C)[C@@H]2CC[C@@H](C=O)C[C@@H]12	15203494	LUVOUSNJDOSAPC-KBXIAJHMSA-N	220.356	3.984	0	1	BHAF	biogenic
CC1=CCC[C@]2(C)CC[C@](O)(C(C)C)C[C@@H]12	15209400	XODMCSWLHUKKPW-RRFJBIMHSA-N	222.372	3.920	0	1	BHAF	biogenic
Cn1c(-c2ccc[nH]2)nc2c3ccccc3ccc21	27657601	WZYORCPSPQCEPW-UHFFFAOYSA-N	247.301	3.722	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@](C)(O)[C@@H]1CC[C@]21C	257398325	CPLGPDHGFNXBOA-PRSHDEELSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
c1ccc2c(c1)Cc1cc(Cn3ccnc3)ccc1-2	20455	OLHTVPMFDRPUTG-UHFFFAOYSA-N	246.313	3.503	0	1	BHAF	in-vivo
C[C@@H]1CC[C@H]2C(C(C)(C)O)=CC(C)(C)C[C@H]12	13379041	YUPSOBGMQUUPKH-IJLUTSLNSA-N	222.372	3.776	0	1	BHAF	biogenic
Cc1cc2c(cc1O)CCC[C@@H]2C(C)C	14724174	CZKLJNQQXWVVGP-GFCCVEGCSA-N	204.313	3.777	0	1	BHAF	biogenic
C[C@H](CO)[C@@H]1CC[C@@H](C)[C@H]2CC[C@@H](C)C[C@@H]12	85487987	KGIBMKUEWBYMCC-LWGJEFJTSA-N	224.388	3.713	0	1	BHAF	biogenic,in-vitro
C[C@@]12N[C@H](C[C@@H]3CCCC[C@H]31)c1ccccc12	147997475	ASEZTUXOIVZOLB-KSZJFAHPSA-N	227.351	3.756	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cc(OC)c(F)cc2[nH]1	586891605	SDBGMFARNBJHAY-RMLUDKJBSA-N	248.301	3.614	0	1	BHAF	
CC[C@H](C)C[C@@H](C)c1oc(=O)c(C)c(O)c1C	2356829304	IWXSAAXASBMZBN-DTWKUNHWSA-N	238.327	3.502	0	1	BHAF	
Clc1cc2ns[s+]c2cc1Cl	5810675	YOGWBEYBWTXLGE-UHFFFAOYSA-N	223.129	3.946	0	1	BHAF	
CCCCC/C=C\C=C\C(=O)N1CCCCC1	13433437	ZPSGREUUQGTKDE-IYNHQRNQSA-N	235.371	3.692	0	1	BHAF	
CCOC(=O)/C=C/C[C@@H](C)CCC=C(C)C	26484874	HJQZEQINYZFGEK-HJTPGIPUSA-N	224.344	3.878	0	1	BHAF	
CC=C=CCN(C)[C@@H]1CCCc2ccccc21	95553021	WTDLQMOJUSRDRW-QDYDJEJISA-N	227.351	3.727	0	1	BHAF	
CCCC=CC=CCCc1cc(O)cc(O)c1	2356466012	OKTHKZQEUMDKTD-UHFFFAOYSA-N	232.323	3.943	0	1	BHAF	
CC1=C2[C@H](/C=C(\C)CO)CC[C@@H](C)[C@@H]2CC1	14827117	KIQXKOUFPHTUQS-VTBYEZFWSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
C[C@H]1C(=O)Oc2cc(C3CCCCC3)ccc21	29248674	CMNLHACLIMGETM-SNVBAGLBSA-N	230.307	3.757	0	1	BHAF	
CO[C@@H]1CCC/C1=C\c1ccc(Cl)cc1	42988618	HTHFNFRVDYWDQC-YGNAEDSMSA-N	222.715	3.922	0	1	BHAF	in-vivo
CCn1ccc2c3cc(Cl)ccc3nc-2c1	377391283	UCSSMXYQZBSDDL-UHFFFAOYSA-N	230.698	3.814	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)C[C@@]3(C)CC[C@@H]1[C@@]23O	14679241	ZCRYDCBITZERMT-BUONHZGMSA-N	222.372	3.610	0	1	BHAF	
C[C@H]1CC[C@@H]2[C@H]1/C(=C/C(C)(C)O)CC[C@H]2C	14827159	IYMKPZYUEJPWPC-WNVRJBMFSA-N	222.372	3.776	0	1	BHAF	
CC[C@H](C)[C@@H]1C[C@H](Cc2ccccc2)SC1=O	34083871	BGCYZMXAVKUSEX-UBHSHLNASA-N	248.391	3.924	0	1	BHAF	
COc1cc(O)cc(/C=C/c2cccs2)c1	40979634	RXCNNYSFWNPUEI-SNAWJCMRSA-N	232.304	3.633	0	1	BHAF	
CCCCCC(=O)[C@@H]1C[C@H]2C[C@H]1C=C2C	2356460041	IAVKLBRHLFHUHW-JHJVBQTASA-N	206.329	3.738	0	1	BHAF	
CC[C@@H]1CCC[C@](C)(CO)[C@@H]2C=C[C@@H](C)[C@@H]21	2356491317	HHMZGTLMFPVSNL-KJWHEZOQSA-N	222.372	3.633	0	1	BHAF	
CC(C)=C[C@H](O)CC(C)=CCCc1ccoc1	2356682526	MVZKYMKFORAEQU-HNNXBMFYSA-N	234.339	3.876	0	1	BHAF	
C(=C/c1ccc2ccccc2n1)\c1ccccn1	6270035	NDBWSSQRPIYASP-ZHACJKMWSA-N	232.286	3.800	0	1	BHAF	
CCCN1CCC[C@H]([C@H]2CCCC[C@@H]2C)C1	261189958	YTVFAAGYKMNQLX-KKUMJFAQSA-N	223.404	3.935	0	1	BHAF	
CSc1ccc2nc(C(C)(C)Cl)[nH]c2c1	587009084	UZUZFXYTDGCGBI-UHFFFAOYSA-N	240.759	3.759	0	1	BHAF	
CCCCc1cnc2cccc3c2c1CC3	587214102	OKNMXJLYRPUYMU-UHFFFAOYSA-N	211.308	3.676	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC1)[C@@](C)(O)CCC2(C)C	2356713208	BOBTWVZHSPRDFC-BZPMIXESSA-N	208.345	3.530	0	1	BHAF	
c1ccc([C@H]2c3ccccc3[C@H]3NCCC[C@H]32)cc1	5934471	SZHZTVQTASRAPD-OKZBNKHCSA-N	249.357	3.873	0	1	BHAF	
CC(C)=C[C@H]1[C@H](C)CC[C@@H]2[C@@H](C)CC[C@@]21O	14635815	QGALFKRHZSPTEG-QKGCVVFFSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
CCCCCC[C@@H]1OC(=O)c2ccccc21	28957502	VCTLNENHMYWCHT-ZDUSSCGKSA-N	218.296	3.869	0	1	BHAF	
CCO/C(O)=C1/Sc2ccccc2N=C1C	101646837	KPLWHFXUICOIAN-VAWYXSNFSA-N	235.308	3.648	0	1	BHAF	
Cc1c(F)ccc2nc(C3=CCCC3)[nH]c12	586884095	NVLGHQNCYWCJOE-UHFFFAOYSA-N	216.259	3.578	0	1	BHAF	
Cc1coc2c(O)c3c(c(C)c12)CC[C@@H](C)C3	2356435182	UDXHBCLNVLIJCT-MRVPVSSYSA-N	230.307	3.880	0	1	BHAF	
CC(C)=CCC[C@@H](O)c1cc2cc(O)ccc2o1	14455225	PQFYUXKMWDLCDV-CYBMUJFWSA-N	246.306	3.918	0	1	BHAF	endogenous,in-man
c1ccc(C2(N3CCCCC3)CCCCC2)nc1	71329172	XOYHYXWCQCHIJH-UHFFFAOYSA-N	244.382	3.727	0	1	BHAF	
Cc1ccc2c(c1)[C@H](c1ccccc1)CN(C)C2	95558129	ZBINDVNASLJSJF-KRWDZBQOSA-N	237.346	3.572	0	1	BHAF	
CC(C)CCc1cc2c3c(cccc3n1)CC2	587214809	ZEZSFKLQQFYWJS-UHFFFAOYSA-N	225.335	3.922	0	1	BHAF	
CC(=O)O[C@@H]1C[C@@H]2C=CC[C@@H](C(C)C)[C@H]2C=C1C	2356799495	UNERXIBGMVIOQL-YHUYYLMFSA-N	248.366	3.733	0	1	BHAF	
CCCc1c(CC)c2n3c1CC[C@@H]3CCC2	14611852	AAILVETVJINXCS-NSHDSACASA-N	217.356	3.827	0	1	BHAF	biogenic
c1ccc(-c2ccccc2Cn2ccnc2)cc1	59972233	ZBWBWWQVTSNSIO-UHFFFAOYSA-N	234.302	3.598	0	1	BHAF	
CCCCC12C[C@@H]3C[C@@H](C1)CC(NC)(C3)C2	102156101	PTJZYMGQONNYKV-HESLUPGFSA-N	221.388	3.735	0	1	BHAF	
Cc1cc2[nH]c([C@@H]3CC=CC[C@H]3C)nc2c(C)n1	587967757	RQYOTUANFGXDPL-BXKDBHETSA-N	241.338	3.644	0	1	BHAF	
c1cc(-c2cn(CC3CC3)c3cnccc23)ccn1	1911585029	ZMRXFXMRTUPKEB-UHFFFAOYSA-N	249.317	3.508	0	1	BHAF	
COc1cc2c(cc1C)[C@H](C(C)C)[C@H](O)C[C@H]2C	14918335	SGRUYFUVJPWQIO-HQQWDMGQSA-N	248.366	3.611	0	1	BHAF	biogenic
Cc1cc2cc(O)cc3oc(C)c(Cl)c(n1)c23	238770741	OPXBNLRHEQEPKJ-UHFFFAOYSA-N	247.681	3.957	0	1	BHAF	
Fc1cc(Cl)cc2nc(C3=CCCC3)[nH]c12	586884996	SMSCDUWQGILZSE-UHFFFAOYSA-N	236.677	3.923	0	1	BHAF	
c1ccc(CC[C@H]2COc3ccccc3C2)cc1	1772630589	GIPIXPBNVZXBIF-OAHLLOKOSA-N	238.330	3.871	0	1	BHAF	
CC1=C2C[C@H](C(C)C)C[C@H](O)[C@]2(C)CCC1	2356475283	WWULHQLTPGKDAM-AEGPPILISA-N	222.372	3.920	0	1	BHAF	
CC1=CNC=N[C@@H]1c1c(C)sc2ccccc12	205566946	LCQGATUZHPFIOX-AWEZNQCLSA-N	242.347	3.786	0	1	BHAF	
Cc1ccc2c(c1)CNc1ccc(C)cc1CN2	1618125	FIYXWLXBQFGGSN-UHFFFAOYSA-N	238.334	3.841	0	1	BHAF	
C[C@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]12CC[C@]3(C)O	100044839	SVURIXNDRWRAFU-ZZVJUGKHSA-N	222.372	3.610	0	1	BHAF	
C[C@@H]1CCC[C@]23C[C@H](CC[C@@]12C)[C@@](C)(O)C3	238755902	XMGYHZMNIUZSLJ-CAEXGNQWSA-N	222.372	3.754	0	1	BHAF	
C[C@@H]1C[C@H]1C(=O)c1coc2ccc(Cl)cc12	587277766	AQIVZXRPLPPZMV-VXNVDRBHSA-N	234.682	3.925	0	1	BHAF	
C[C]1C=CN(CC(=O)c2ccc(C)cc2)C=C1C	2356874756	ATMNCOKYSUCJPQ-UHFFFAOYSA-N	240.326	3.505	0	1	BHAF	
CC(C)CCN1CCC[C@@H](c2cccc(O)c2)C1	25982282	LCOOQHLLCYOFMH-OAHLLOKOSA-N	247.382	3.618	0	1	BHAF	
C[C@@]12CC3C[C@@]1(C)CC3(NCc1ccccc1)C2	101532918	NZMXOZPNOMAZGW-YZUHTNEWSA-N	241.378	3.745	0	1	BHAF	
CC1(C)[C@@H]2CC[C@]3(C)CCC[C@](C)(O)[C@@H]3[C@@H]21	238763163	CJRKEDMYNFITCQ-FPVZYODXSA-N	222.372	3.610	0	1	BHAF	
CCCCC[C@H](O)CCc1ccc(F)c(F)c1	1911579301	XYMFLPKHFIBTFC-LBPRGKRZSA-N	242.309	3.839	0	1	BHAF	
CC1=CC=C[C@@]2(C)Cc3occc3C[C@H]12	2356579936	LLXPXVCHMDEMQA-OCCSQVGLSA-N	200.281	3.517	0	1	BHAF	
CC(C)n1c2ccccc2c2cnccc21	29062194	KEGYFWATWZUTSM-UHFFFAOYSA-N	210.280	3.770	0	1	BHAF	
C[C@H]1CCC/C=C/C/C=C\CCCC(=O)O1	154717089	JSZKXZJGTWVDOI-FKYYKXJISA-N	222.328	3.775	0	1	BHAF	
C/C(=C\C=C\C(C)C)[C@H]1CC[C@](C)(NC=O)CC1	238758851	UTOXGRXZEVOUFE-ZZDWXYFLSA-N	249.398	3.840	0	1	BHAF	
CCC[C@@H](c1nc2cncc(OC)c2[nH]1)C(C)C	587956587	TWZVYIAAPNOHHQ-SNVBAGLBSA-N	247.342	3.506	0	1	BHAF	
C[C@H]1[C@H](C)CCC2=C[C@H](CO)C(C)(C)[C@]21C	2356391836	FHNGRPUUPUOBAK-OICBVUGWSA-N	222.372	3.633	0	1	BHAF	
CC=CC(C)=C[C@H](C)[C@@H](O)[C@H](C)CCC	2356561207	TZAIZDJNSHBBJW-RDBSUJKOSA-N	210.361	3.942	0	1	BHAF	
CSc1ccccc1-c1ccc2nccn2c1	61896976	LNTYKJJBUHZRLY-UHFFFAOYSA-N	240.331	3.723	0	3	BHAF	
CC1(C)C=CN(C(=O)Nc2ccccc2)C=C1	2561	KZZCSPWDFRPVBO-UHFFFAOYSA-N	228.295	3.588	0	1	BHAF	
CCCC[C@@H]1SC(=O)c2ccccc21	95552010	ONIKCGRKVVNAPV-NSHDSACASA-N	206.310	3.805	0	1	BHAF	
CC[C@H](C)C[C@H]1NCCc2c1sc(C)c2C	963021607	JWLJSGXTLNXQAA-TVQRCGJNSA-N	237.412	3.988	0	1	BHAF	
CC1=C[C@]2(C)CC[C@H](O)[C@@]23[C@H](C)CC[C@@]13C	238764631	WCDMDNMOIJQPML-BFYSQQLMSA-N	220.356	3.530	0	1	BHAF	
CC1=C2C[C@H](C(C)C)C[C@@H](O)[C@]2(C)CCC1	2356475285	WWULHQLTPGKDAM-NWANDNLSSA-N	222.372	3.920	0	1	BHAF	
CCC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1	64540316	LQKQCQKZRUYZOI-SQWLQELKSA-N	238.334	3.732	0	1	BHAF	
CC1=C[C@@H]2[C@H](CCC(C)=CCC1)[C@@]2(C)CO	2356385323	XQMLUDKCNROUCA-RRFJBIMHSA-N	220.356	3.698	0	1	BHAF	
C[C@@H]1C(=O)C[C@@H]2[C@@H]([C@H]3[C@@H]1CC[C@H]3C)C2(C)C	2356780899	GZWAUGUBRNNGII-LFSXSHJOSA-N	220.356	3.530	0	1	BHAF	
C=C(C)[C@@H]1CC[C@]1(C)CCOC(=O)C(C)C	14451179	FVDDHXILHJBLOF-GXTWGEPZSA-N	224.344	3.568	0	1	BHAF	biogenic
CSc1cc(-c2ccc(F)cc2)co1	28368970	SJBFNBFOMYDJRA-UHFFFAOYSA-N	208.257	3.808	0	1	BHAF	
CC(C)=CCC/C(C)=C/CSc1cn[nH]n1	29126264	JZLAOPDLCBFWIO-YRNVUSSQSA-N	237.372	3.590	0	1	BHAF	
CC1=CC[C@H]2[C@H](OC(=O)CC(C)C)[C@@H]1C2(C)C	85774423	VCFDIPBWQNPUTA-YUTCNCBUSA-N	236.355	3.567	0	1	BHAF	
Cc1ccc2c(c1)[C@@H]1CC[C@]2(C)OC1(C)C	100830731	RWNMGACJGXHHHN-WFASDCNBSA-N	216.324	3.896	0	1	BHAF	in-man
c1coc(Cc2ccc(Cc3ccco3)o2)c1	142274125	IFYMHQPQXVMQHM-UHFFFAOYSA-N	228.247	3.647	0	1	BHAF	
CC(C)/C1=C/[C@H](O)[C@@H](C)C/C=C/[C@@H](C)CC1	523042460	XRVZBFPDDHAYMH-CXKKEJORSA-N	222.372	3.942	0	1	BHAF	biogenic
CC[C@@H](C)CCCCCCCCC[C@H](O)CO	2356735819	STLQPQBVJGUVMY-CABCVRRESA-N	244.419	3.897	0	1	BHAF	
c1ccc([C@@H]2CN3CC[C@H]3c3ccccc32)cc1	1536939	ZPPKVPYQLWTSIK-IRXDYDNUSA-N	235.330	3.579	0	1	BHAF	
CC(C)C1=CC[C@@]2(C)CCC[C@](C)(O)C2=C1	15207151	LGUGFZKFDQBVJK-CABCVRRESA-N	220.356	3.840	0	1	BHAF	biogenic
CC1(C)C[C@@H]2[C@@H]1CC[C@@](C)(O)[C@@H]1CC[C@@]21C	100781974	CPLGPDHGFNXBOA-SIJPQNPESA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
c1ccc(CCc2cc3ccccc3[nH]2)cc1	34416152	LRPSUHIGFBBGHP-UHFFFAOYSA-N	221.303	3.953	0	3	BHAF	
c1ccc([C@H]2CO[C@H](c3ccccc3)C2)cc1	14723474	DTRWVAWUKAYYNM-CVEARBPZSA-N	224.303	3.932	0	1	BHAF	biogenic
CCN[C@@H](CC)Cc1ccc(SCC)cc1	48998237	FXAXBZLCZVSQJT-ZDUSSCGKSA-N	237.412	3.729	0	1	BHAF	in-vivo
CCCCNc1c(C(C)C)nc2ccccn12	72175142	DOHKJSTWSGZAGJ-UHFFFAOYSA-N	231.343	3.670	0	1	BHAF	
CC1=C[C@H]2CC(C)(C)[C@@H]1C[C@H](O)c1ccoc12	205458002	AURHAUOFBQPZMC-UHTWSYAYSA-N	232.323	3.793	0	1	BHAF	
CC1=CCCC[C@@]12NCCc1cc(C)c(F)cc12	962376525	PREKVGHLRORRSK-MRXNPFEDSA-N	245.341	3.605	0	1	BHAF	
CC1=C[C@H]2[C@H]3C(=O)[C@@H]1[C@@]3(C)CCCC2(C)C	14884279	KKQDNHZABGRCAS-OZTPJHRESA-N	218.340	3.594	0	1	BHAF	endogenous,in-man
CC1=C[C@H]2Cc3occc3C(C)(C)[C@@H]2C=C1	15222111	SQAVUCKXPOTTEA-NWDGAFQWSA-N	214.308	3.862	0	1	BHAF	biogenic
CN(C)[C@@H]1CC[C@@H](c2c[nH]c3ccc(F)cc23)C1	38418470	LRSVJJWABVMKRA-ZYHUDNBSSA-N	246.329	3.505	0	1	BHAF	
C/C=C/C=C/C=C/C=C/CC[C@@H](O)CC	238778990	MDEBZXWDIHBXDZ-OBMTWQBGSA-N	206.329	3.782	0	1	BHAF	
CC1=C2CC[C@H](C)[C@H]2CC(C)(C)C[C@H](O)C1	2356340473	PXKJCWZAMAFFIW-ZKYQVNSYSA-N	222.372	3.920	0	1	BHAF	
CC1=Cc2c(C)coc2C(=O)[C@@]12CCC[C@@H]2C	2356419922	IZGYUJRBTLSOFP-ZUZCIYMTSA-N	230.307	3.994	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@@H]2[C@H](O)C[C@H](C)C[C@@H]12	2356559394	INZGXHKIXAEGJY-WKZARQIDSA-N	222.372	3.776	0	1	BHAF	
CCCCCC=C[C@H](C)CCOC(C)=O	2356705436	NSCSPGLXFSPKCQ-LBPRGKRZSA-N	212.333	3.712	0	1	BHAF	
CCN(C)C[C@@H]1C[C@@H]1c1cccc2ccccc12	28960264	HPZAIKAZTLALFB-YOEHRIQHSA-N	239.362	3.895	0	1	BHAF	
COc1c2c(c3ccccc3c1O)[C@H]1C=C[C@H]2C1	102937957	ISTNMYZRHAPWOD-UWVGGRQHSA-N	238.286	3.695	0	1	BHAF	
CC1=CCC(C(C)C)=C[C@H]2[C@H]1CC[C@]2(C)O	139814836	BUDAMKOGABENTE-KKUMJFAQSA-N	220.356	3.696	0	1	BHAF	
O=C(O)CCC[C@@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1	231930468	WWHSTYPFQBWANZ-IIRDAUPMSA-N	248.366	3.560	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@]3(C)O[C@@H](C1)[C@H]23	2356705752	CJPKEQVKLSZFCR-AICCOOGYSA-N	220.356	3.792	0	1	BHAF	
Cc1ccc([C@H](C)CC[C@@H](O)C(C)C)cc1	2356857212	SHFNOANMFOCKGN-UKRRQHHQSA-N	220.356	3.896	0	1	BHAF	
COc1cc2c(cc1[C@@H](C)OC)C=CC(C)(C)O2	13306398	KIDINSSIUWCEBX-SNVBAGLBSA-N	248.322	3.587	0	1	BHAF	biogenic
CC(C)=C[C@H]1[C@H](C)CC[C@@H]2[C@@H](C)CC[C@]21O	14635819	QGALFKRHZSPTEG-SEBNEYGDSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
CC(=O)c1ccc(-c2ccc(O)cc2)c(C)c1	29123475	HVFIGUVQJWMWSD-UHFFFAOYSA-N	226.275	3.570	0	1	BHAF	
COc1ccc2cc(C[C@@H](C)C(C)=O)ccc2c1	169333125	QDMDJZDSBXQKRZ-LLVKDONJSA-N	242.318	3.616	0	1	BHAF	
CC=CC=CC=CC=CCC[C@@H](O)CC	2356506888	MDEBZXWDIHBXDZ-AWEZNQCLSA-N	206.329	3.782	0	1	BHAF	
CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]2(C)C(=O)O	13374726	JQVRGJMXYNVMIA-HONMWMINSA-N	224.344	3.704	0	1	BHAF	biogenic
Clc1cn2cc(-c3cccs3)nc2s1	13602560	KKKWUQLBZLCWLN-UHFFFAOYSA-N	240.740	3.778	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@H]1c1ccccc1	13755475	KXRUBJYBRZXATJ-GJZGRUSLSA-N	217.356	3.665	0	1	BHAF	
CCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2	27106376	KUFOCIILMPNBEI-XHDPSFHLSA-N	240.350	3.640	0	1	BHAF	
COc1ccc(/C(C)=C/CN2CCCCC2)cc1	73160701	VYPAUOXOTNEZEQ-GXDHUFHOSA-N	245.366	3.584	0	1	BHAF	
CN1c2ccccc2C2=C(O)c3ccccc3[C@H]21	95589226	JLZAODCBOKWOGQ-OAHLLOKOSA-N	235.286	3.617	0	1	BHAF	
C[C@H](O)[C@@H](C)CC=CC=Cc1ccccc1	2356657299	ARROMLOSFCWJKF-KBPBESRZSA-N	216.324	3.663	0	1	BHAF	
CCc1c(CN2CCC(C)CC2)csc1C	6895145	XXSWHXGUFAAXHA-UHFFFAOYSA-N	237.412	3.851	0	1	BHAF	
CC1=CC[C@]2(CC1)[C@@H](C)CC[C@H]2C(C)(C)O	13307532	XDVDHFJMCJWDPI-YDHLFZDLSA-N	222.372	3.920	0	1	BHAF	biogenic
CC(C)(O)/C=C/c1ccc(Cl)c(Cl)c1	13649232	IJOMRQHCNKLMFO-AATRIKPKSA-N	231.122	3.778	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@H]1c1cccs1	13755499	HKWCDGQNESCBNT-NEPJUHHUSA-N	223.385	3.726	0	1	BHAF	
Cc1cc2c(C)coc2cc1[C@@H]1CC[C@@](C)(O)O1	14694220	HGZNBZRPLXXXCS-ZFWWWQNUSA-N	246.306	3.610	0	1	BHAF	biogenic
C=C1CC[C@@H]2[C@H](C)C(=O)C[C@H](C(=C)C)[C@H]2C1	14918257	VBTALUUAPIOMQJ-DGAVXFQQSA-N	218.340	3.760	0	1	BHAF	biogenic
C[C@H]1CC=C[C@@]23CC[C@@H](C[C@@]12C)C(C)(C)O3	15159819	JHJVISLPRJLTJT-NZBPQXDJSA-N	220.356	3.936	0	1	BHAF	biogenic
C[C@@]12N[C@@H](c3ccccc31)[C@@H](F)c1ccccc12	27892649	ZALAPTYRPBPOQR-JYJNAYRXSA-N	239.293	3.619	0	1	BHAF	
CCCCCCn1c(-c2ccccc2)cnc1N	66102617	RUFLNHITRUAQTM-UHFFFAOYSA-N	243.354	3.713	0	1	BHAF	
CCCCOc1cc2c3ccccc3nc-2c[nH]1	100640611	OWUSBEXUSSJSDZ-UHFFFAOYSA-N	240.306	3.847	0	1	BHAF	in-vivo
CC1=C[C@H]2[C@@H](CC1)[C@H](C)CC[C@H]2C(C)(C)O	137344387	QNNGQKOUWYCKEY-ZOBORPQBSA-N	222.372	3.776	0	1	BHAF	
CC1=CCC[C@@H]2CC[C@H](C(C)(C)O)C[C@@H]12	2356485491	IPZIYGAXCZTOMH-AGIUHOORSA-N	208.345	3.530	0	1	BHAF	
Cc1ccc(-c2cc(=O)c3cc(C)ccc3[nH]2)cc1	13111140	VCYZKLFXEAREHG-UHFFFAOYSA-N	249.313	3.812	0	3	BHAF	
O=CCCCCCCCCCCCC(=O)O	14620336	DRJBSGNVRUEBDG-UHFFFAOYSA-N	228.332	3.561	0	1	BHAF	biogenic
O=C(O)c1c(O)cccc1CCC1CCCCC1	28861926	LUKKVEQXWFFWGR-UHFFFAOYSA-N	248.322	3.603	0	1	BHAF	
C[C@H]1CCC[C@H](C)C12CC[C@@H](C(C)(C)O)C2	40848224	AALAEGJKWSYLOG-RWMBFGLXSA-N	224.388	4.000	0	1	BHAF	
c1ccc2c(-c3cnsc3)cccc2c1	103221149	XAPPSWNHCRNRCE-UHFFFAOYSA-N	211.289	3.963	0	1	BHAF	
COC(=O)c1ccc2c(C)cc3occc3cc1-2	197511840	URCXMELYOMAYHQ-UHFFFAOYSA-N	240.258	3.633	0	1	BHAF	
CC1=C2c3cc(C)c(C)cc3[C@H](C)C[C@@H]2OC1=O	238765625	YKUQTDKMRDPOQH-YGRLFVJLSA-N	242.318	3.510	0	1	BHAF	
Cc1ccnc(-c2cc3c4c(cccc4n2)CC3)c1	587211277	CDEAMVQSRMLJKM-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
O=C(c1ccco1)c1coc2ccc(Cl)cc12	587277776	BHUHHIONRDBTSV-UHFFFAOYSA-N	246.649	3.910	0	1	BHAF	
CC[C@@H](C)C(=O)OCC1=CCC(C)(C)C[C@H]1C	2356784853	QKMIUXCKXORDBW-VXGBXAGGSA-N	238.371	3.958	0	1	BHAF	
CN(C)[C@H]1CC[C@@H](c2c[nH]c3ccc(F)cc23)C1	38418471	LRSVJJWABVMKRA-PWSUYJOCSA-N	246.329	3.505	0	1	BHAF	
CC1=CC[C@H]2C[C@H]1[C@@]2(C)CC/C=C(/C)CO	100780003	JGINTSAQGRHGMG-UGJHJVKRSA-N	220.356	3.698	0	1	BHAF	endogenous,in-man
CCCCCC(=O)[C@H]1C[C@H]2C=C[C@]1(C)C2	238747148	XYGDXLLRBBBIBF-YRGRVCCFSA-N	206.329	3.738	0	1	BHAF	
C[C@@H]1CCC[C@]2(O)CC[C@@H]3[C@@H](C3(C)C)[C@]12C	2356564765	BREDZYPEWIDOOH-MUGBGTHKSA-N	222.372	3.610	0	1	BHAF	
COC(=O)[C@@H](C)CCC[C@]1(C)C[C@H]2CC[C@H]1C2	2356573275	HURCCZSSOPDIHO-PWNZVWSESA-N	238.371	3.792	0	1	BHAF	
CCCCN1CCC2=C(CCc3ccccc32)C1	13455418	VXQVYBORCSUFDN-UHFFFAOYSA-N	241.378	3.892	0	1	BHAF	
COc1ccc2ccc(-c3cccnc3)cc2c1	13674468	NJTAFJUCZKIVLW-UHFFFAOYSA-N	235.286	3.910	0	1	BHAF	
CCC[C@@H]1CCC[C@]2(CC[C@@H](CC)O2)O1	15205571	SSLBJYJOPLKJSL-JHJVBQTASA-N	212.333	3.641	0	1	BHAF	biogenic
Cc1cc(C)cc(-c2cnc3cccnc3c2)c1	28826035	NXEJUZMQMJIULC-UHFFFAOYSA-N	234.302	3.914	0	1	BHAF	
CC[C@H]1OCCC[C@H]1c1nc2ccc(C)cc2[nH]1	586911844	MQQLZVUJWYQBAU-BXUZGUMPSA-N	244.338	3.544	0	1	BHAF	
CC=Cc1cc(OC)ccc1OC(=O)C(C)=CC	2356574079	MPNCRMMIYXNVQM-UHFFFAOYSA-N	246.306	3.600	0	1	BHAF	
CC(C)c1cc2ccc3c(c2o1)C(=O)O[C@@H](C)C3	2356792312	JOSGRHHARYPBHV-VIFPVBQESA-N	244.290	3.658	0	1	BHAF	
CC[n+]1c(C)cc2c(sc3ccccc32)c1C	363798	ASWPGNYOGPUEFE-UHFFFAOYSA-N	242.367	3.979	0	3	BHAF	
CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)[C@H](O)C1	13381128	NOCUZOKOOMNRCW-MELADBBJSA-N	220.356	3.696	0	1	BHAF	biogenic
CCC[C@@H]1CCC[C@@]2(CCC[C@@H](C)O2)O1	14593100	QXUAOIHBLJZVTQ-JHJVBQTASA-N	212.333	3.641	0	1	BHAF	biogenic
O/C(=C\c1nc2ccccc2[nH]1)c1cccs1	101843441	SJRMITVDOIROSD-FLIBITNWSA-N	242.303	3.681	0	1	BHAF	
Cc1ccc2nc(/C=C/c3ccc(N)cc3)[nH]c2c1	587252139	XHTZBVMDKDTVAX-WEVVVXLNSA-N	249.317	3.624	0	1	BHAF	
CC(CO)=C1CCC2=CCC[C@@H](C)[C@@]2(C)C1	2356479828	FXWSXJNUPFBCMQ-IUODEOHRSA-N	220.356	3.842	0	1	BHAF	
c1ccc(-c2ccc(CCn3ccnc3)cc2)cc1	34397901	QZJTUWIULUGRHL-UHFFFAOYSA-N	248.329	3.793	0	1	BHAF	
CC1=CC[C@@]2(C(=C(C)C)CC[C@H]2C)[C@H](O)C1	238762025	XDDWKHKVKLJESI-BPLDGKMQSA-N	220.356	3.840	0	1	BHAF	
O=c1c2ccccc2sn1C1CCCCCC1	1772648283	BZUGDCXVQPXEOV-UHFFFAOYSA-N	247.363	3.958	0	1	BHAF	
CC(C)[C@@H]1C[C@@]2(C)C[C@@]3(C)C[C@H]1[C@H]2CC3=O	2356790201	FHGVQISYQRBFTF-SIJPQNPESA-N	220.356	3.674	0	1	BHAF	
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1C=O	15148098	CYNSNODFYUHSCP-GUTXKFCHSA-N	220.356	3.984	0	1	BHAF	biogenic
C[C@H](c1ccc(Cl)cc1)[C@H]1CCCCN1	35090370	BMRJUXFHOOHDBF-ZWNOBZJWSA-N	223.747	3.586	0	1	BHAF	in-vivo
CC1(C)C[C@]2(O)[C@@]3(C)CCC[C@@]2(C)[C@H]1CC3	100783435	QOXUIQMPPDIDGM-MXAVVETBSA-N	222.372	3.754	0	1	BHAF	endogenous,in-man
Cc1ccc([C@H](C)C/C=C/C(C)(C)O)cc1	137110117	FCWODWIUPFWVDN-HQIZRNBFSA-N	218.340	3.816	0	1	BHAF	
CCCCCC[C@@H](C)C[C@H](C)C=CC(N)=O	2356809759	ASWIDATXPVRDFO-CHWSQXEVSA-N	225.376	3.661	0	1	BHAF	
CCCC[C@@H]1CC[C@H]2CCC[C@@H](C(=O)CC)N12	13380560	PFXVWWBJFCZGFF-MCIONIFRSA-N	237.387	3.541	0	1	BHAF	biogenic
CC(=O)CC[C@H](c1cc(C)co1)C(C)C	14711275	NCBKUTILUODENZ-LBPRGKRZSA-N	208.301	3.697	0	1	BHAF	biogenic
CC1(C)C[C@H]2[C@@H](C1)[C@H]1O[C@]2(C)Cc2cocc21	14973030	ILACEZQKVDMRMW-CQROYNQRSA-N	232.323	3.718	0	1	BHAF	
c1ccc(-c2cccc(Cn3ccnc3)c2)cc1	66156819	FMBIBQYJJRROCK-UHFFFAOYSA-N	234.302	3.598	0	1	BHAF	
Cc1cc(C(=O)C(C)C)cc2c1C(=O)C[C@H]2C	2356483216	ZWJSUOSVATYKDM-SECBINFHSA-N	230.307	3.524	0	1	BHAF	
C=C=C(Sc1ccccc1)C(C)(C)OC(C)=O	1631829	RAKICPYDBCPJIL-UHFFFAOYSA-N	248.347	3.789	0	1	BHAF	
CCCN1CCC[C@@H](c2cc(C)cc(C)c2)C1	13782157	AMPXVBOIQBSQML-OAHLLOKOSA-N	231.383	3.893	0	1	BHAF	in-vivo
c1ccc(-c2cc3c4ccccc4ncn3n2)cc1	26736342	MXZHSQREVWKULL-UHFFFAOYSA-N	245.285	3.550	0	1	BHAF	
CC1=CC[C@@H]2C[C@H]1[C@]2(C)CC/C=C(\C)C(=O)O	100780001	CTORLPNPQPAKGI-IDMVNGPCSA-N	234.339	3.790	0	1	BHAF	endogenous,in-man
Cc1coc2c(O)c3c(c(C)c12)C(=O)CC[C@H]3C	2356388974	BDSJUQVHHBRBAC-SSDOTTSWSA-N	244.290	3.835	0	1	BHAF	
COc1c(-c2cccnc2)sc2ccccc12	28816750	FCQJOXZRYSFZPF-UHFFFAOYSA-N	241.315	3.972	0	1	BHAF	
CC1=CCCC(C)=CC(=O)OCC(C)=CCC1	2356415515	NMEKMYDKPCWTTQ-UHFFFAOYSA-N	234.339	3.943	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@@H]2[C@H](O)C[C@@H](C)C[C@@H]12	2356559393	INZGXHKIXAEGJY-RCZQDCHWSA-N	222.372	3.776	0	1	BHAF	
CC1(C)C[C@H]2C[C@]3(C)CC[C@](C)([C@H]2C1)[C@@H]3O	34613244	DLYIWDZWJJHEJS-ZZVJUGKHSA-N	222.372	3.610	0	1	BHAF	
c1ccc([C@@H]2[C@H]3CCc4ccccc4[C@H]32)nc1	36311042	JHBQXWSFWPQARO-IMJJTQAJSA-N	221.303	3.525	0	1	BHAF	
CC1=CCC[C@@]2(C)CC[C@](O)(C(C)C)C[C@H]12	95911420	XODMCSWLHUKKPW-QLFBSQMISA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
C1=C(/C=C/c2ccncc2)COc2ccccc21	103232355	PFZRLUQZNAMNGZ-AATRIKPKSA-N	235.286	3.571	0	1	BHAF	
CC(C)(C)c1cc2c3c(cccc3n1)CC2	587214215	OCVFKKKADSIXKM-UHFFFAOYSA-N	211.308	3.631	0	1	BHAF	
Fc1cccc2[nH]c(C(F)(F)F)c(S)c12	587633380	BVQYGQRKXCVRMR-UHFFFAOYSA-N	235.205	3.615	0	1	BHAF	
CCCN1CCC[C@H]([C@@H]2CCC[C@@H](C)C2)C1	13492917	MFQJGOGNSWZAMY-KFWWJZLASA-N	223.404	3.935	0	1	BHAF	
C(=C1\CCCN=C1c1cccnc1)\c1ccccc1	49803321	KRYNRVPZHUUTOR-NTCAYCPXSA-N	248.329	3.748	0	1	BHAF	
C[C@H]1CCCC2=CC[C@@H](C(C)(C)O)C[C@@]21C	59727280	KEBVXBNFLKYWDP-NJZAAPMLSA-N	222.372	3.920	0	1	BHAF	
c1ccc(CNCC23C[C@H]4CC2C[C@@H](C4)C3)cc1	101563830	OMWCTQFMJOBAAN-NUWOQIAWSA-N	241.378	3.603	0	1	BHAF	
Cc1nc(-c2ccccc2)nnc1-c1ccccc1	169318576	QSZUADMAZLYLEU-UHFFFAOYSA-N	247.301	3.514	0	1	BHAF	
C[C@@H]1CC[C@@H]2[C@H](C=C[C@H](C)[C@H]2CCC(=O)O)C1	2356609157	PWQNLFCXVDTJKD-XVIXHAIJSA-N	236.355	3.726	0	1	BHAF	
C=C(C)[C@H]1CC[C@@]1(C)CCOC(=O)C(C)C	14451177	FVDDHXILHJBLOF-OCCSQVGLSA-N	224.344	3.568	0	1	BHAF	biogenic
C=CC(=O)Nc1ccc(CCCCCC)cc1	14969026	PLZCRSIPFQILMX-UHFFFAOYSA-N	231.339	3.934	0	1	BHAF	
CC[C@H](C)c1cc([C@H](O)C(F)(F)F)ccc1O	84729598	GQQBRVZIRYZGGU-CPCISQLKSA-N	248.244	3.501	0	1	BHAF	
CC1(C)[C@H]2CC[C@@]3(C)CCC[C@@](C)(O)[C@@H]3[C@H]21	169664193	CJRKEDMYNFITCQ-CWFCOSEVSA-N	222.372	3.610	0	1	BHAF	
CC(C)=Cc1ccc2c(=O)cc(C)oc2c1C	238744331	LHJRPISXRGEVQO-UHFFFAOYSA-N	228.291	3.833	0	1	BHAF	
CCCC/C=C/CCOP(=O)(OC)OC	238760530	RUAVKQHRKQUZGB-BQYQJAHWSA-N	236.248	3.540	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2c(Cl)ccnc2[nH]1	586886528	CJUCUELNYVTJLW-JMCQJSRRSA-N	235.718	3.515	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccnc(Cl)c2[nH]1	586891429	QYUFORBOUZDBPL-KRTXAFLBSA-N	235.718	3.515	0	1	BHAF	
C[C@@H]1C=C[C@@H]2CCCC[C@@H]2[C@@H]1c1cc(=O)cco1	2356393167	BVLXMXPVFHENSZ-TWJWRFFLSA-N	244.334	3.736	0	1	BHAF	
CO[C@@H]1C=C(C)Cc2occ(C)c2CC=C(C)C1	2356745644	NWLNPDFDTSFGEU-AWEZNQCLSA-N	246.350	3.984	0	1	BHAF	
CC1=CCC(C)(C)[C@@H]2CC[C@@H](C)[C@@]2(O)CC1	13312548	YNNJFMVUKVSHRB-IPYPFGDCSA-N	222.372	3.920	0	1	BHAF	biogenic
Oc1oncc1-c1ccc(-c2ccccc2)cc1	28352748	ZCRLWFVZKXHALA-UHFFFAOYSA-N	237.258	3.714	0	1	BHAF	
CC1(C)C[C@H]2[C@H]1CC[C@@](C)(O)[C@@H]1CC[C@@]21C	100781982	CPLGPDHGFNXBOA-FMKNKJFCSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
CC1=N[C@H](c2c(C)sc3ccccc23)C=CN1	218952419	IGBNASUAJQRZFD-LBPRGKRZSA-N	242.347	3.786	0	1	BHAF	
CC(C)=C[C@@H]1[C@H](C)CC[C@@H]2[C@H](C)CC[C@@]12O	257520816	QGALFKRHZSPTEG-RYPNDVFKSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
CC(C)(O)[C@@H]1CC[C@]2(C)CCCC[C@@H]2C1	2356583142	LFQGNVKBZIFOGJ-BZPMIXESSA-N	210.361	3.754	0	1	BHAF	
CC1=C[C@]2(C=C[C@H](C)O2)[C@H](C(C)C)CC1	100779600	QQLMXACDDRGTPU-MELADBBJSA-N	206.329	3.712	0	1	BHAF	endogenous,in-man
Cc1c(F)ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587968290	YUEBNWVGSBIJMT-HBNTYKKESA-N	242.297	3.690	0	1	BHAF	
COc1ccc2nc(-c3cccs3)ccc2c1	40872582	CXADOAAHMLSVBN-UHFFFAOYSA-N	241.315	3.972	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@H](C(=O)O)[C@@H]3CC[C@]12C3	238771769	VBYJBDDEWRMLJX-AATHHKPASA-N	236.355	3.560	0	1	BHAF	
Cc1oc2c(C)cc3c(C)cc(=O)oc3c2c1C	1857538895	ZVSBJOVPGCMCDY-UHFFFAOYSA-N	242.274	3.773	0	1	BHAF	
COC(=O)C(C)=CCC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356400541	CAMIEFGQPJUXLQ-CGYUPCHJSA-N	248.366	3.568	0	1	BHAF	
CC1=C[C@H]2CC(C)(C)[C@H]1C[C@@H](O)c1ccoc12	2356427433	AURHAUOFBQPZMC-WCFLWFBJSA-N	232.323	3.793	0	1	BHAF	
C[C@@H]1C(=O)C[C@@]2(C)C[C@H]1[C@]1(C)CCC[C@]12C	2356691308	DRNLMIXGZNDYEP-LWOQNUMLSA-N	220.356	3.818	0	1	BHAF	
Fc1ccc(-c2nocc2-c2ccncc2)cc1	3942435	IVEKGMPDASLCAJ-UHFFFAOYSA-N	240.237	3.543	0	1	BHAF	
CC[C@@H](C)CCCCCC1=C[C@@H](C)OC1=O	14592388	DIGSICVZYKFCTI-VXGBXAGGSA-N	224.344	3.855	0	1	BHAF	biogenic
CC[C@H]1C[C@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	40375185	OWBORVXXMMDEAN-CSFVBSKPSA-N	243.394	3.619	0	1	BHAF	
CCCCc1ccc(-c2nc(C)co2)cc1	72142475	NEIJGLYSISAWAI-UHFFFAOYSA-N	215.296	3.993	0	1	BHAF	
C/C=C(C)/C=C(/C)c1oc(=O)c(C)c(OC)c1C	214876705	IFHBFWLMLSPISM-ZWOQCJTASA-N	248.322	3.635	0	1	BHAF	
CC(=O)[C@@H](C)C/C=C/C=C/c1ccccc1	238752117	KJVVKOWXNRGZDU-UIWFPMPVSA-N	214.308	3.871	0	1	BHAF	
CCNCCC(c1ccccc1)c1ccccc1	3619300	PHTBPSUXRQGGDN-UHFFFAOYSA-N	239.362	3.818	0	1	BHAF	
C/C=C\C=C\C=C\C=C\CC[C@@H](O)CC	238760911	MDEBZXWDIHBXDZ-LWFWVFRBSA-N	206.329	3.782	0	1	BHAF	
CC[C@@H]1CCC[C@](C)(CO)[C@@H]2C=C[C@@H](C)[C@H]21	2356491316	HHMZGTLMFPVSNL-ARILJUKYSA-N	222.372	3.633	0	1	BHAF	
CCCC=Cc1cc2c(C=O)c(O)ccc2o1	2356647900	YBEKEVJDAKBMRA-UHFFFAOYSA-N	230.263	3.764	0	1	BHAF	
CC[C]1C=CN(Cc2ccccc2C)C=C1	2356826556	WALDCGDDVKZRKS-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CC1(C)C=CC=C2Cc3occc3CC[C@H]21	14636190	IDTXREDMBPNYPJ-CYBMUJFWSA-N	214.308	3.907	0	1	BHAF	biogenic
c1ccc([C@@H]2[C@@H]3CCc4ccccc4[C@H]32)nc1	100053279	JHBQXWSFWPQARO-BMFZPTHFSA-N	221.303	3.525	0	1	BHAF	
CC[C@@H]1[C@H]2Cc3ccccc3[C@@]1(CC)CCN2C	169342337	LORWVZGWCGQVKH-OIISXLGYSA-N	243.394	3.621	0	1	BHAF	
CCCc1cc2nc3ccccc3nc2s1	230841093	IVCLZNWLDUQQKS-UHFFFAOYSA-N	228.320	3.797	0	1	BHAF	
C[C@H]1C(=O)C[C@]2(C)C[C@H]1[C@]1(C)CCC[C@]21C	238779941	DRNLMIXGZNDYEP-NKQKNBIVSA-N	220.356	3.818	0	1	BHAF	
C[C@@H]1[C@@H](C(C)(C)O)CCC2=CCC[C@@H](C)[C@@H]21	2356463373	YEDSHUOBTRDKLW-MHDGFBEUSA-N	222.372	3.776	0	1	BHAF	
Cc1ccc2cnc(-c3ccccc3)cc2n1	28826053	HTGZUSOTMANXQK-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	
CN(C)[C@H]1CC[C@@H](c2c[nH]c3cccc(F)c23)C1	64393095	XOEYYOYWTDHCHM-MNOVXSKESA-N	246.329	3.505	0	1	BHAF	
C[C@@H]1CC[C@@H]2C[C@@]3(C)C[C@H]3C(C)(C)C[C@]12O	238742188	HJRGEXWNMQQNJV-MUGBGTHKSA-N	222.372	3.610	0	1	BHAF	
C1=C(c2nc3cnc4ccccc4c3[nH]2)CCC1	586885424	USFDMKVEZDLNER-UHFFFAOYSA-N	235.290	3.678	0	1	BHAF	
Cc1occc1[C@@H]1NCCc2c1sc(C)c2C	963015218	WNLDKICVGIVCFS-ZDUSSCGKSA-N	247.363	3.501	0	1	BHAF	
CCCC[C@H]1CCC[C@]2(CCCCO2)O1	2356431999	NBWSJPXGVRZJTC-STQMWFEESA-N	212.333	3.643	0	1	BHAF	
CC1=CC[C@@]2(C)[C@H](O)[C@H]1[C@]1(C)CCC[C@]12C	2356624804	PKLUCFDICCLDGA-AIEDFZFUSA-N	220.356	3.530	0	1	BHAF	
CC1=CC(C)=CN(Cc2cccc(F)c2)[CH]1	2356857235	WUALJSZHATVYRQ-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CC(C)=CCC[C@](C)(O)[C@H]1CC=CCC1	14614541	NHPAJUWVDYHROB-KBPBESRZSA-N	208.345	3.840	0	1	BHAF	biogenic
C[C@@H]1C(=O)Oc2cc(C3CCCCC3)ccc21	84462367	CMNLHACLIMGETM-JTQLQIEISA-N	230.307	3.757	0	1	BHAF	
c1ccc(-c2ccc(Oc3cccnc3)cn2)cc1	96282866	RBBDOLIQPHVADY-UHFFFAOYSA-N	248.285	3.936	0	1	BHAF	
CC/C=C(C)/C=C(\C)c1cc(OC)c(C)c(=O)o1	144160395	YYOBOZLWPYZHOQ-AMMQDNIMSA-N	248.322	3.716	0	1	BHAF	
CC1=C2CC[C@]2(C)C[C@@H]2CC(C)(C)[C@@H](O)[C@@H]12	238764389	PDYFRRZJPCCQRD-GZCFXPHUSA-N	220.356	3.530	0	1	BHAF	
CC(C)(C)c1cccc2nc(CC3CC3)[nH]c12	587959837	QQHALLBQIBXZBS-UHFFFAOYSA-N	228.339	3.813	0	1	BHAF	
C[C@@H]1CCCCCCC=CCCC(=O)OC1	2356438221	XFZGLIZDKYUJAG-CYBMUJFWSA-N	224.344	3.856	0	1	BHAF	
CC1(C)CCC[C@]1(C)c1ccc(C(=O)O)cc1	14822410	NZAJKPWIGPUDBG-OAHLLOKOSA-N	232.323	3.853	0	1	BHAF	biogenic
Cc1ccc2c(c1)-c1cccc3c1[C@H](C2)N(C)CC3	1844037	VUYKJMZDCAQKIO-KRWDZBQOSA-N	249.357	3.747	0	1	BHAF	
C[n+]1ccc(/C=C/c2ccc3ccccc3c2)cc1	2557946	FSJHKYCCUKGKLN-VOTSOKGWSA-N	246.333	3.835	0	1	BHAF	
COc1ccc2c(c1)CC/C2=C\c1cncs1	13610852	YBVSJXCRZPLUNH-YRNVUSSQSA-N	243.331	3.639	0	1	BHAF	in-vivo
FC(CNCCc1ccccc1)=C1CCCC1	13611579	UQFYAODRDKTBKW-UHFFFAOYSA-N	233.330	3.616	0	1	BHAF	
Cc1ccc2[nH]c3c(c2c1)CCCc1conc1-3	73198649	RBMKDXVLGYPAEU-UHFFFAOYSA-N	238.290	3.620	0	1	BHAF	
CC[C@H](C)Nc1cc(-c2ccc(C)cc2)ncn1	82161463	UAUNBSPHGWOKFS-LBPRGKRZSA-N	241.338	3.662	0	1	BHAF	
CN(C)C12C[C@@]3(C)CC(C[C@]3(C)C1)C2(C)C	103029941	BCXGXPCLFPQFLI-INTODGSJSA-N	221.388	3.543	0	1	BHAF	
CC(C)c1ccc([C@H]2NN=C3CCC[C@H]32)cc1	1857571031	YJVCDFQEAWAOCJ-UKRRQHHQSA-N	228.339	3.610	0	1	BHAF	
CC1=CC[C@@]2(O)[C@H](C)CCC(=C(C)C)[C@H]2C1	14917998	VXQLDLRZLVFYFR-BPLDGKMQSA-N	220.356	3.840	0	1	BHAF	
CC1=C2CC(C)(C)C[C@@H]2[C@@H](O)c2cocc2C1	15168805	ZWRLWJAFBLTMSQ-GXTWGEPZSA-N	232.323	3.622	0	1	BHAF	biogenic
C[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H]3[C@@H](C3(C)C)[C@@]12C	238784871	GYIFZGHOLFRCQN-YVCQSUGNSA-N	236.399	3.856	0	1	BHAF	
CCCCCC[C@H]1CC(=O)c2ccc(O)cc2O1	299838738	QXQRYHPIPUPLAJ-LBPRGKRZSA-N	248.322	3.696	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(=CCC(=O)O)[C@H](C)C=C[C@@H]2C1	2356427108	ORLOYGDCENCRMS-BYNQJWBRSA-N	234.339	3.646	0	1	BHAF	
CCc1ccccc1COC(=O)c1ccccc1	40425254	PRJCDGZQJQVLKY-UHFFFAOYSA-N	240.302	3.606	0	1	BHAF	
CC(C)[C@H]1CCc2c(nc3ccccc3c2N)C1	45286977	CDHPHGQRVWIALH-NSHDSACASA-N	240.350	3.578	0	1	BHAF	
CCCN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@@H]1C2	101331967	ZFMWPFRYIWXMAF-UNEWFSDZSA-N	241.378	3.868	0	1	BHAF	
CC1=C[C@@H]2CC(C)(C)C[C@@H]2[C@]2(C)CC[C@]12O	238750441	CEVJERUHMXYIBB-DHMWGJHJSA-N	220.356	3.530	0	1	BHAF	
CC(C)C(=O)[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	2356563151	RPWJVLNUGNQUMD-UHIISALHSA-N	208.345	3.674	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)CC[C@@]2(C)O	13381541	MTOMOICLIZNIAM-SWLSCSKDSA-N	218.340	3.736	0	1	BHAF	biogenic
CC1=CC2=C(C)C(=O)OC2=C[C@]12CCC[C@H]2C	14713696	KUNRAMULIXAXIK-PSLIRLAXSA-N	230.307	3.510	0	1	BHAF	biogenic
C[C@@H]1[C@@](C)(O)C[C@]2(C)CC[C@H]3[C@H](C)CC[C@@]312	34482580	SNSNYEAITDGGIF-UMBPPFEGSA-N	222.372	3.610	0	1	BHAF	
C[C@H]1CCC[C@@]2(C)CC[C@H](C(C)(C)O)C=C12	100779310	SRHDLIDOZXPROB-HUBLWGQQSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
Cc1ccsc1/C=C/c1cccnc1	137250508	OWIXERJHXZGVDY-SNAWJCMRSA-N	201.294	3.622	0	1	BHAF	
CC[C@H]1C[C@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	195065427	OWBORVXXMMDEAN-SDNTUTLCSA-N	243.394	3.619	0	1	BHAF	
C(=C1\CCCc2ccccc21)\c1ccncc1	13610825	WCNFIMZYZJWWCJ-NTCAYCPXSA-N	221.303	3.959	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@@H]1c1cccs1	13755497	HKWCDGQNESCBNT-RYUDHWBXSA-N	223.385	3.726	0	1	BHAF	
c1ccc(-c2cc3n(n2)CNc2ccccc2-3)cc1	13757069	HNNZZIUFIGERBL-UHFFFAOYSA-N	247.301	3.600	0	1	BHAF	in-vivo
Nc1c2c(nc3c(Cl)cccc13)[C@@H]1CC[C@H]2C1	27979771	NNGFBICBXZNRCM-JGVFFNPUSA-N	244.725	3.835	0	1	BHAF	
c1ccc(-c2ccc(Cn3ccnc3)s2)cc1	66101817	PFSLZFCTNKWJFW-UHFFFAOYSA-N	240.331	3.660	0	1	BHAF	
CC[C@H]1OCCC[C@H]1c1nc2cccc(C)c2[nH]1	586914247	UVNKXMNUIGXEFJ-DGCLKSJQSA-N	244.338	3.544	0	1	BHAF	
ClC1=Cc2nc3cccc4c3c(c2CC1)CC4	587208825	BPWXUYVZZLXHKY-UHFFFAOYSA-N	241.721	3.859	0	1	BHAF	
CC1=C[C@H](O)C[C@H](C)[C@]1(C)CCc1ccoc1	14638371	CGYPYORTCRDMNT-AEGPPILISA-N	234.339	3.566	0	1	BHAF	biogenic
CC1=CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)C=C12	85757060	WTUMCHHLAJTPSA-BPLDGKMQSA-N	220.356	3.696	0	1	BHAF	
c1ccc(-c2cccc3c2[C@H]2CNC[C@H]3C2)cc1	101033441	WXTSGZNDVZORJW-ZIAGYGMSSA-N	235.330	3.528	0	1	BHAF	
Cc1sc(Nc2ccccc2Cl)nc1O	169720329	JVRHHSAVCUJPIO-UHFFFAOYSA-N	240.715	3.554	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(Cl)cnc2[nH]1	586888361	IRKLQPWUWVEZRY-PRHODGIISA-N	235.718	3.515	0	1	BHAF	
C[C@@]12CCC[C@]1(C)[C@]1(C)CC[C@H](CO)[C@H]2C1	2356404018	AQPTUSRPCDHRQG-ARILJUKYSA-N	222.372	3.611	0	1	BHAF	
CCC=C(C)C=C(C)c1cc(OC)c(C)c(=O)o1	2356657215	YYOBOZLWPYZHOQ-UHFFFAOYSA-N	248.322	3.716	0	1	BHAF	
CC[C@H](C)C(=O)OCC1=CCC(C)(C)C[C@H]1C	2356784851	QKMIUXCKXORDBW-NWDGAFQWSA-N	238.371	3.958	0	1	BHAF	
CCCC[C@H]1CCC[C@]2(CC[C@H](C)O2)O1	13380548	YJXRBYWOYOXYFN-RWMBFGLXSA-N	212.333	3.641	0	1	BHAF	
C1CCC([C@H]2CC[C@H]3CCCCN32)CC1	26727243	DLAKEKPGYVCCMO-ZIAGYGMSSA-N	207.361	3.584	0	1	BHAF	
C/C(=C/c1nc2cnccc2[nH]1)C1CCCCC1	587967906	NOKLOOQZBWXWQG-LUAWRHEFSA-N	241.338	3.942	0	1	BHAF	
C[C@@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)C1CCCCC1	2356371885	SDSJHJFZCPITQJ-BYNSBNAKSA-N	222.372	3.754	0	1	BHAF	
CC1=CC[C@@]23C[C@H]1C(C)(C)[C@H]2C(=O)C[C@@H]3C	2356444215	ORWURSUFHQIHMR-MDHDOXDCSA-N	218.340	3.594	0	1	BHAF	
Cc1ccc([C@H](C)CC[C@@H]2OC2(C)C)cc1O	13377489	BQAQGBHVNVLESL-YGRLFVJLSA-N	234.339	3.762	0	1	BHAF	biogenic
C[C@H]1CC(=O)CC2=CC[C@H]3[C@H](C3(C)C)[C@@]21C	238753234	NYVDTZCCCWPPPG-GCVYGYKWSA-N	218.340	3.594	0	1	BHAF	
CCC[C@H](c1nc2cc(F)cnc2[nH]1)C(C)C	587954979	HWRAQIQNMCGDSJ-JTQLQIEISA-N	235.306	3.637	0	1	BHAF	
CC1(C)[C@@H]2[C@H]1CC[C@]1(C)CCC[C@]1(C)[C@@H]2O	2356787911	BTBQMFYSHNODBW-MYYUVRNCSA-N	222.372	3.610	0	1	BHAF	
CC(C)c1cc2ccc3c(c2o1)C(=O)O[C@H](C)C3	2356792311	JOSGRHHARYPBHV-SECBINFHSA-N	244.290	3.658	0	1	BHAF	
C[C@@H](c1ccc2ccccc2c1)c1c[nH]cn1	13450488	YRDASYXEOGTMQU-NSHDSACASA-N	222.291	3.715	0	1	BHAF	
C1=Nc2ccc(OCc3ccccc3)cc2CC1	40395749	KNGXKSOFBFEUCZ-UHFFFAOYSA-N	237.302	3.914	0	1	BHAF	
C[C@@H]1C=C2[C@@H](CC1)[C@H](C)CC[C@H]2[C@@H](C)C(=O)O	59207080	NODQSJBGHNTDNJ-QWQWKMKNSA-N	236.355	3.726	0	1	BHAF	in-vitro
C1=C(/C=C\c2ccncc2)COc2ccccc21	103232363	PFZRLUQZNAMNGZ-WAYWQWQTSA-N	235.286	3.571	0	1	BHAF	
CC(C)=CC[C@@H]1Oc2cc(C)c(O)cc2[C@@H]1C	2356794072	HSNGQEFVJJBZCD-FZMZJTMJSA-N	232.323	3.921	0	1	BHAF	
Cc1ccc2c(c1)CC[C@@H]1CC(=O)CC[C@]21C	3472832	JZECOIINDLDHBV-CJNGLKHVSA-N	228.335	3.568	0	1	BHAF	biogenic
C[C@@H]1C(=O)C=C2[C@@H]1CC(C)(C)C[C@@H]1C[C@@]21C	14415202	NJTKXUKZKQTHNI-MYQWFSQQSA-N	218.340	3.594	0	1	BHAF	biogenic
COc1cc2c(cc1C)-c1ccccc1CC2	29333835	OYQPJTATQNVJCA-UHFFFAOYSA-N	224.303	3.769	0	1	BHAF	
C=Cc1ccc(-c2nc3nc(C)ccc3[nH]2)cc1	586880835	HNHWAKIMOZMBNA-UHFFFAOYSA-N	235.290	3.576	0	1	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)C(=O)[C@@]3(C)CC[C@@]12C3	14764814	FKIMAXRXZJXZBA-FDRIWYBQSA-N	220.356	3.818	0	1	BHAF	biogenic
CCc1nc(-c2cccs2)c2sccc2n1	29046308	HTDFKCHXFHIXPU-UHFFFAOYSA-N	246.360	3.982	0	1	BHAF	in-vivo
Nc1nccc2ccc(OC3CCCCC3)cc12	45303066	KMHDIRZPJPISBC-UHFFFAOYSA-N	242.322	3.529	0	1	BHAF	
CC1=C[C@H]2OC(C)(C)[C@H]3CC[C@H](C)[C@]32CC1	100829370	JGKMDLIITSKWAD-KYEXWDHISA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
CNc1ccc(-c2cc3cc(O)ccc3o2)cc1	13686348	ZNESXKIPTICLME-UHFFFAOYSA-N	239.274	3.847	0	1	BHAF	in-vivo
CN1[C@@H]2CCc3ccccc3[C@@]1(C)c1ccccc12	27881149	GDTARIWTSCFMEK-MSOLQXFVSA-N	249.357	3.883	0	1	BHAF	
O[C@@H](c1ccc(OCC2CCCC2)cc1)C1CC1	28528417	GFCPRIVUTJEJRV-MRXNPFEDSA-N	246.350	3.699	0	1	BHAF	
CN(C)[C@@H]1CC[C@H](c2c[nH]c3ccc(F)cc23)C1	38418468	LRSVJJWABVMKRA-CMPLNLGQSA-N	246.329	3.505	0	1	BHAF	
CCC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587527880	XJHMWVOJHFQRKZ-GFCCVEGCSA-N	244.334	3.699	0	1	BHAF	
C[C@H]1C=C[C@H]2C[C@H](C)CC[C@@H]2C1=CCC(=O)O	2356427111	ORLOYGDCENCRMS-UHXUPSOCSA-N	234.339	3.646	0	1	BHAF	
CCCCCC=C[C@@H](O)CCc1ccc(O)cc1	2356787558	BMFICLSZCZRTBY-OAHLLOKOSA-N	248.366	3.822	0	1	BHAF	
CC1=CC[C@@H]([C@]2(C)CC(=O)CC(C)(C)O2)CC1	14682141	FBZSMLWLLPEEKP-DOMZBBRYSA-N	236.355	3.650	0	1	BHAF	biogenic
Cc1cc(CCc2cccs2)cc(C)c1O	29556595	OBKRPALMDDZEEB-UHFFFAOYSA-N	232.348	3.856	0	1	BHAF	
CCCC[C@H]1OC(=O)c2ccc(Cl)cc21	49051275	VCALNYWELQHEHL-LLVKDONJSA-N	224.687	3.742	0	1	BHAF	
CC1=C[C@@]2(C=C[C@H](C)O2)[C@@H](C(C)C)CC1	59560115	QQLMXACDDRGTPU-MJBXVCDLSA-N	206.329	3.712	0	1	BHAF	endogenous,in-man
CCCOc1cc2c(cn1)[nH]c1ccccc12	6869122	LPAODQAWVMEXKR-UHFFFAOYSA-N	226.279	3.505	0	1	BHAF	in-vivo
CCCN(CCC)[C@@H]1C[C@@H]1c1cccs1	13755496	HKWCDGQNESCBNT-NWDGAFQWSA-N	223.385	3.726	0	1	BHAF	
O=C(O)CCC[C@@H]1CC[C@@H]2[C@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21	102184791	WWHSTYPFQBWANZ-NGLTUSCBSA-N	248.366	3.560	0	1	BHAF	
CC1=C[C@H]2[C@@H]3C(=O)[C@@H]1[C@]3(C)CCCC2(C)C	104370705	KKQDNHZABGRCAS-YFCNSXCBSA-N	218.340	3.594	0	1	BHAF	in-man
C[C@@]12N[C@H](C[C@H]3CCCC[C@@H]31)[C@@H]1CCCC[C@@H]12	194849075	FHRWBXVLMJUUQU-OWDFPOFWSA-N	233.399	3.733	0	1	BHAF	
CO[C@@]1(C)CCc2c(C)cc3occ(C)c3c2C1	238784367	WVCUCIZNNPDGAN-INIZCTEOSA-N	244.334	3.943	0	1	BHAF	
CC=Cc1ccc(OC(=O)CCCC)c(OC)c1	2356626026	IBVLGAQAZKORKI-UHFFFAOYSA-N	248.322	3.824	0	1	BHAF	
CCC1(CC)SCc2nc3ccccc3n21	13214751	CMVFCRBJNIAVEV-UHFFFAOYSA-N	232.352	3.756	0	1	BHAF	
CC1=CC2=C(C(C)C)CC[C@@H](C)[C@@H]2[C@@H](O)C1	238768754	XCXXQNHVVCTZPI-UGFHNGPFSA-N	220.356	3.696	0	1	BHAF	
c1ccc2c(c1)CCCN1CCc3ccccc3[C@H]21	6576101	OOHYIVGZZGASFD-SFHVURJKSA-N	249.357	3.580	0	1	BHAF	
CC(C)n1c2ccccc2c2cc(N)ccc21	27108387	VNJADQQAQUDLRQ-UHFFFAOYSA-N	224.307	3.958	0	1	BHAF	
C=C(c1ccccc1)c1sc(=S)n(C)c1O	169721208	VQXSRKGFMKVSBF-UHFFFAOYSA-N	249.360	3.583	0	1	BHAF	
C[C@H](O)[C@@H](C)C/C=C\C=C\c1ccccc1	238775323	ARROMLOSFCWJKF-CADGQSGLSA-N	216.324	3.663	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C12)CO	2356381380	KIQXKOUFPHTUQS-UBHSHLNASA-N	220.356	3.698	0	1	BHAF	
CC=Cc1cc(OC)ccc1OC(=O)[C@H](C)CC	2356418815	YARRWVYKHJNVHX-LLVKDONJSA-N	248.322	3.680	0	1	BHAF	
Cc1cc(O)cc2oc3cc(O)cc(C)c3c12	13484941	SCSANHGJZDQFTD-UHFFFAOYSA-N	228.247	3.614	0	1	BHAF	biogenic
C[C@H]1CCC=C2CC[C@H]3[C@H](C[C@]3(C)O)[C@@]21C	35075996	NBNLCOSOZJITCW-MFGQWXODSA-N	220.356	3.530	0	1	BHAF	
C=Cc1ccc(-c2nc3ccnc(C)c3[nH]2)cc1	586881180	LEJIRBIGQSPUFA-UHFFFAOYSA-N	235.290	3.576	0	1	BHAF	
Cc1c(C2CC2)nc2cccc3c2c1CC3	587214657	VVQGWGFBSRYYBZ-UHFFFAOYSA-N	209.292	3.519	0	1	BHAF	
CCCCCc1cc(O)cc(O)c1CCC	653702291	QNMUZJCUFDBVEO-UHFFFAOYSA-N	222.328	3.783	0	1	BHAF	
C[C@H]1CC[C@@H]2[C@H]1/C(=C\C(C)(C)O)CC[C@H]2C	238751602	IYMKPZYUEJPWPC-IIVHPSMBSA-N	222.372	3.776	0	1	BHAF	
CC[C@@H](C)C[C@@H]1NCCc2c1sc(C)c2C	963021605	JWLJSGXTLNXQAA-RNCFNFMXSA-N	237.412	3.988	0	1	BHAF	
CC=C(C)c1ccc(C[C@@H](C)CC)c(=O)o1	2356801412	QPEYMRNCORLOQY-JTQLQIEISA-N	220.312	3.652	0	1	BHAF	
CC1(C)C[C@H]2[C@@H](C1)[C@]1(C)CCC[C@@]2(C)C1O	2573806	MJYUBUQHKCAJQR-YABAYLBRSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
CN(C)[C@@H]1CC=C(c2c[nH]c3ccccc23)CC1	28819430	OLBSGDZXLHSPOR-CYBMUJFWSA-N	240.350	3.665	0	1	BHAF	in-vivo
Cc1cccc(-c2cc3c4c(cccc4n2)CC3)n1	587212827	RFRFILRYBYOMBZ-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
Nc1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12	587634955	WEWGKPDFDOFDOV-UHFFFAOYSA-N	244.244	3.695	0	1	BHAF	
CC(C)=CC=C[C@H](C)C1CCC(C)(NC=O)CC1	2356551183	UADNYTNHILKNEO-FHERZECASA-N	249.398	3.840	0	1	BHAF	
Cc1ccc(C)c2c1NC1=C(CCCCC1)[C]2N	2356815237	LPGRORKGZAJZCO-UHFFFAOYSA-N	241.358	3.786	0	1	BHAF	
CC1=CC[C@]2(C)CC[C@@](O)(C(C)C)[C@@H]2CC1	13432658	HTJLBKLQZZOCAC-RBSFLKMASA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CC1=C[C@H]2C[C@@]3(CC[C@@H]2C(C)C)O[C@H]3CC1	14689944	ZBBZNJBCTBFTGY-LJISPDSOSA-N	220.356	3.936	0	1	BHAF	biogenic
CCN1[C@H]2Cc3ccccc3[C@@H]1c1ccccc12	27882872	AVNLPGZESZWUCY-DLBZAZTESA-N	235.330	3.709	0	1	BHAF	
COc1ccccc1/C=C/c1cccc(O)c1	28118988	BBUUAZWMLBYHPP-MDZDMXLPSA-N	226.275	3.571	0	1	BHAF	
C/C(=C\CO)CC/C=C(\C)CNc1ccccc1	33917565	JVVQYWITFPUEFG-GGQZXFEVSA-N	245.366	3.764	0	1	BHAF	
CCN1[C@@H]2CC[C@@H]1[C@H](c1ccc(Cl)cc1)C2	101300848	BYKWZRJIQJVYGD-HZSPNIEDSA-N	235.758	3.680	0	1	BHAF	
CSCC(C)(C)c1nc2cc(C)cc(C)c2[nH]1	586969815	YTPCCFASSVNTLP-UHFFFAOYSA-N	248.395	3.820	0	1	BHAF	
Oc1cccc2nc(CC3CCCCCC3)[nH]c12	587961760	WLMHYVYOPRLZHS-UHFFFAOYSA-N	244.338	3.781	0	1	BHAF	
CO[C@H]1C=C(C)Cc2occ(C)c2CC=C(C)C1	2356745645	NWLNPDFDTSFGEU-CQSZACIVSA-N	246.350	3.984	0	1	BHAF	
CCCC(CCC)NC(=O)C1CCCCC1	230512804	QWDZHPIHFYEFCJ-UHFFFAOYSA-N	225.376	3.652	0	3	BHAF	
COc1cc2c(cc1C)[C@H](C(C)C)[C@H](O)C[C@@H]2C	14918333	SGRUYFUVJPWQIO-JJMVLAAESA-N	248.366	3.611	0	1	BHAF	biogenic
CCc1ccc(O)c(Cc2ccc(C)cc2)c1	28762205	MVDVWBSMQGXDLX-UHFFFAOYSA-N	226.319	3.854	0	1	BHAF	
Cc1ccc2c(c1)O[C@@]1(C)CCCC[C@@H]21	2356284374	YROXLKZGAZSYJV-JSGCOSHPSA-N	202.297	3.804	0	1	BHAF	
Cc1coc2c1C[C@@]1(C)[C@H](C=CC[C@H]1C)C2=O	2356402637	MPBGARPFVGIPSH-IXPVHAAZSA-N	230.307	3.545	0	1	BHAF	
CCCOc1ccc2cc(C[C@H](C)N)ccc2c1	40893820	CRXAYNAYXGFRGO-LBPRGKRZSA-N	243.350	3.518	0	1	BHAF	in-vivo
Cc1[nH]c2cccc(F)c2c1N1CCCC[C@@H]1C	587636742	HCXKXVQBIJDCBK-JTQLQIEISA-N	246.329	3.994	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@H]2CCC(C)=C12)C(=O)O	2356495792	FEBNTWHYQKGEIQ-TVYUQYBPSA-N	234.339	3.790	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@H](C)[C@]2(O)CC1	36421083	COGPRPSWSKLKTF-CBBWQLFWSA-N	222.372	3.776	0	1	BHAF	biogenic,in-man
Cc1cccc2c1CC/C2=C/c1cccnc1	100056325	ORCOWTSQEFCEFC-UVTDQMKNSA-N	221.303	3.877	0	1	BHAF	in-vivo
Cc1ccc(C)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12	587968360	ZQBRLYDCQGCAIQ-YNEHKIRRSA-N	238.334	3.859	0	1	BHAF	
CC=Cc1cc(OC)ccc1OC(=O)[C@@H](C)CC	2356418816	YARRWVYKHJNVHX-NSHDSACASA-N	248.322	3.680	0	1	BHAF	
CC1=C[C@@H](CO)C(C)(C)[C@]12CCCC2(C)C	2356752689	KJYKEAYNZFLDKB-SWLSCSKDSA-N	222.372	3.778	0	1	BHAF	
CC1=CCCC(C)(C)[C@@H]2C=C(CO)CC[C@H]12	14439363	UCUDZMUAHCPZCI-ZIAGYGMSSA-N	220.356	3.698	0	1	BHAF	biogenic
c1ccc2c(c1)[C@@H]1CCCN(CC3CC3)[C@@H]2C1	100385567	MWUBKKYEPJHFGH-CZUORRHYSA-N	227.351	3.721	0	1	BHAF	
Cc1ncc(-c2ccccc2)c(C(C)(C)C)n1	169318175	USMPRQQBRZOPNV-UHFFFAOYSA-N	226.323	3.750	0	1	BHAF	
COc1ccc(/C=C/c2cccs2)cc1	13553961	KYPWMKCTXUVDQV-RMKNXTFCSA-N	216.305	3.927	0	1	BHAF	
CC(=O)CC[C@H]1C(=O)C=C(C(C)C)CC[C@H]1C	14694281	PDXOECHKUSAMHE-BXUZGUMPSA-N	236.355	3.553	0	1	BHAF	biogenic
C[C@@H]1CC=CC[C@H]1c1nc2cc(F)c(F)cc2[nH]1	587966433	FXIVGRSOMIETBO-RKDXNWHRSA-N	248.276	3.911	0	1	BHAF	
C[C@@H]1C=CC[C@]2(C)C=C[C@H](C(C)(C)O)C[C@@H]12	2356330324	IGDPRNLDNSDIJI-UKTARXLSSA-N	220.356	3.552	0	1	BHAF	
C[C@@H]1CN=C(Nc2ccc(Cl)c3c2CCC3)C1	143167996	SMCWDBIRMCZOJC-VIFPVBQESA-N	248.757	3.679	0	1	BHAF	
CC1=CCCC(CO)=C[C@H]2[C@@H](CC1)C2(C)C	2356689330	FWWVEVHJDLNKDJ-KGLIPLIRSA-N	220.356	3.698	0	1	BHAF	
CC(=O)CC[C@@H]1C[C@@]2(CCC=C2C)OC1(C)C	14721229	WIQUMZFHDBZVSM-UKRRQHHQSA-N	236.355	3.650	0	1	BHAF	biogenic
c1csc([C@H](NC2=NCCCCC2)C2CC2)c1	39200601	TWDVKGNBRDQESA-CQSZACIVSA-N	248.395	3.761	0	1	BHAF	
COc1cc(O)cc(/C=C/c2ccsc2)c1	40975606	NTYPFMTWKQDIMT-NSCUHMNNSA-N	232.304	3.633	0	1	BHAF	
CC1=C[C@@H](C)[C@H](C2OCC(C)(C)CO2)[C@@H](C)C1	4094059	LBGGUVCPIQFOJE-AGIUHOORSA-N	238.371	3.624	0	1	BHAF	
NC[C@H]1C2CCC(CC2)[C@H]1c1ccc(Cl)cc1	13795130	YBVKBRKRBSXLIO-HBGGEXNNSA-N	249.785	3.819	0	1	BHAF	
CCOc1c(C)cc2c(c1C)CCC(C)(C)N2	28091319	RIJVQVYAUHDOGR-UHFFFAOYSA-N	233.355	3.839	0	1	BHAF	
CO[C@H]1CCC/C1=C\c1ccc(Cl)cc1	42988620	HTHFNFRVDYWDQC-STRFDMGBSA-N	222.715	3.922	0	1	BHAF	in-vivo
CC1=C[C@H]2C(=C(C)C)CC[C@@H](C)[C@@]2(O)CC1	238755357	RLQQLZPOMNLHJN-SNPRPXQTSA-N	220.356	3.840	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]31	2356759452	QDCXLQJUFNZYHG-YLXLXVFQSA-N	222.372	3.610	0	1	BHAF	
CC[C@H](C)C[C@H](C)c1oc(=O)c(C)c(O)c1C	2356829305	IWXSAAXASBMZBN-IUCAKERBSA-N	238.327	3.502	0	1	BHAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CC[C@]3(C)O	2124375	SVURIXNDRWRAFU-HPYVJYLESA-N	222.372	3.610	0	1	BHAF	
CCC1S[C@@H](CC)O[C@H](CC)S1	95619999	GQNYEPIOQFSEAZ-YUMQZZPRSA-N	206.376	3.691	0	1	BHAF	endogenous,in-man
COc1ccc(CCc2ccccc2F)cc1	103262868	MTZAQJDGWQRLCO-UHFFFAOYSA-N	230.282	3.620	0	1	BHAF	
C[C@H]1Cc2nc3cccc4c3c(c2C[C@H]1C)CC4	587215770	UWLPCEPHERCUSV-MNOVXSKESA-N	237.346	3.704	0	1	BHAF	
c1cncc(-c2cc(-c3cncs3)cs2)c1	1857656487	SWMDBOGKSWZVSB-UHFFFAOYSA-N	244.344	3.934	0	1	BHAF	
CC(C)=CCC[C@](C)(O)CCC[C@H](C)CCO	15214219	SYBUVPWLOMFION-GJZGRUSLSA-N	242.403	3.673	0	1	BHAF	biogenic
C[C@@H](CCN(C)C)c1ccc2ccccc2c1	28641894	BNGSHTBTTWQXLD-ZDUSSCGKSA-N	227.351	3.895	0	1	BHAF	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@H](C)CCC[C@@H]1C2	85767711	ANKFPIBCTISOBX-YIKOMLBNSA-N	234.339	3.620	0	1	BHAF	in-man
CC1=CC[C@H]2[C@@H]([C@@H]3C1=COC[C@H]3C)C2(C)C	85775375	PEDRFNLMEGPQLB-SAXRGWBVSA-N	218.340	3.775	0	1	BHAF	biogenic,in-vitro
CC(C)CC(=O)C[C@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356340504	QMKMAMJJMONFFD-JQFGNSRWSA-N	220.356	3.674	0	1	BHAF	
CC1(C)CCC[C@]1(C)[C@@H]1C=C[C@](C)(O)CC1	13412362	SGAVEYGCXUNESW-VHDGCEQUSA-N	222.372	3.920	0	1	BHAF	biogenic
CCCCOc1cccc(-c2ccno2)c1	13530215	WQYJPEHBLXPHHJ-UHFFFAOYSA-N	217.268	3.521	0	1	BHAF	
Clc1cc2nc(C3CCC3)[nH]c2c(Cl)n1	586883389	BWGPHVCSIZYEJK-UHFFFAOYSA-N	242.109	3.532	0	1	BHAF	
CC1=C2CC[C@](C)(O)C[C@@H]2[C@H](C(C)C)CC1	2356445792	OYKYYOKNASFMLL-CFVMTHIKSA-N	222.372	3.920	0	1	BHAF	
C/C=C(C)\C=C(\C)c1oc(OC)c(C)c(=O)c1C	140625756	IDTMJMBDTGUTDU-XOHWUJONSA-N	248.322	3.635	0	1	BHAF	
CC(C)Cc1cc2c3c(cccc3n1)CC2	587214101	OJDKCOOXIAJCON-UHFFFAOYSA-N	211.308	3.532	0	1	BHAF	
Cc1coc2c1[C@@H]1CC(=O)[C@@H]3CCC[C@H](C2)[C@]31C	2356557317	JQJNCXMUXHAAPZ-KZTGVZKYSA-N	244.334	3.623	0	1	BHAF	
C[C]1N(C)c2ccccc2N1Cc1ccccc1	2356833227	NSBCRYMZWVWLPG-UHFFFAOYSA-N	237.326	3.652	0	1	BHAF	
CCCN(CCC)[C@H]1CCc2sccc2C1	13474744	GTEKPTHVDJVUHM-ZDUSSCGKSA-N	237.412	3.727	0	1	BHAF	
CCCCCN1CCC[C@@H](c2cccc(O)c2)C1	29250665	QTYFKXPXLCCNOF-OAHLLOKOSA-N	247.382	3.762	0	1	BHAF	
CSC(=S)/C=C(\O)c1ccc(C)cc1	169604236	VNMOFLGRAVMQKM-YFHOEESVSA-N	224.350	3.584	0	1	BHAF	
CCCC[C@]1(O)C[C@H]2C[C@H]1[C@H](C)C2(C)C	263607883	SMRFYWWGKRCKHO-OPDFLTKYSA-N	210.361	3.610	0	1	BHAF	
CSCC(C)(C)c1nc2cc(C)c(C)cc2[nH]1	586969116	NKTGXLVJXZFLKR-UHFFFAOYSA-N	248.395	3.820	0	1	BHAF	
C[C@@H]1CCC[C@]2(O)CC[C@@H]3[C@H](C3(C)C)[C@@]12C	2356564764	BREDZYPEWIDOOH-FWZIUSJTSA-N	222.372	3.610	0	1	BHAF	
NC[C@@H]1C2CCC(CC2)[C@H]1c1cccc(Cl)c1	13795113	JRNZMQHRXKVRNL-FBDPFYNOSA-N	249.785	3.819	0	1	BHAF	
CC1(C)CC[C@H](Sc2ccccc2)O1	5734574	IHEUXZPCYQKELP-NSHDSACASA-N	208.326	3.694	0	1	BHAF	
CC1(C)CCC[C@]1(C)[C@H]1C=C[C@](C)(O)CC1	13412356	SGAVEYGCXUNESW-AEGPPILISA-N	222.372	3.920	0	1	BHAF	biogenic
COc1ccc2c(c1)Cc1c-2[nH]c2ccccc12	45393289	IWYYMIXXPNSHBD-UHFFFAOYSA-N	235.286	3.748	0	1	BHAF	
Cc1coc2c1[C@@H]1OC[C@H]3CCC[C@H](C2)[C@@]31C	85691901	GVXGFKKETSYSMF-FIXIBIHLSA-N	232.323	3.638	0	1	BHAF	
CC(C)(C)Cc1cc2c3c(cccc3n1)CC2	587214284	REDVXBAITGHSKB-UHFFFAOYSA-N	225.335	3.922	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@H]2[C@H]31	2356759453	QDCXLQJUFNZYHG-ZCRGAIPPSA-N	222.372	3.610	0	1	BHAF	
c1ccc([C@@H]2c3ccccc3[C@@H]3CCNC[C@@H]32)cc1	39223536	BREMVKXMHGWYKJ-RYQLBKOJSA-N	249.357	3.525	0	1	BHAF	
Oc1ccc(C2=CCCOc3ccccc32)cc1	40897207	HQADCDLUXRTWPS-UHFFFAOYSA-N	238.286	3.606	0	1	BHAF	
C/C=C(/C)C(=O)Oc1ccc(C)cc1C(C)C	238730799	KRVQPLGJQFNMHY-SDQBBNPISA-N	232.323	3.990	0	1	BHAF	
C=CC(C)=CC=C[C@H](O)CCC=C(C)C	2356452095	DOQHWMWPLINRND-CQSZACIVSA-N	206.329	3.782	0	1	BHAF	
C[C]1C=CN(Cc2cccc(Cl)c2)C=C1	2356829032	BLUDNHUTCCFXLM-UHFFFAOYSA-N	218.707	3.777	0	1	BHAF	
Cc1scc(CN2C[C@H](C)C[C@@H](C)C2)c1C	6895130	LFEMHSHTXPYFMX-GHMZBOCLSA-N	237.412	3.843	0	1	BHAF	
CCCCCc1ccc([C@@H]2CCCN2C)cn1	13819451	BDIDSZSQSQZXNC-HNNXBMFYSA-N	232.371	3.581	0	1	BHAF	
C=C(C)[C@@H]1CC[C@H](C)[C@H](CCC(C)=O)C(=O)C1	257394864	CGLWYEZJKQTMLC-YUTCNCBUSA-N	236.355	3.553	0	1	BHAF	
C[C@H](c1cccc(C2CC2)c1O)C1CC1	1857628242	AAOSVIVEIMSABL-VIFPVBQESA-N	202.297	3.783	0	1	BHAF	
C=C1CC=CC(C)(C)[C@]12CC[C@H](C)C(=O)C2	13385399	ZYEPHLBHZCRIHX-NHYWBVRUSA-N	218.340	3.904	0	1	BHAF	biogenic
CCn1ccc(C(=O)c2cccc3ccccc23)c1	87723103	KVBKPNPHCRDMJQ-UHFFFAOYSA-N	249.313	3.892	0	1	BHAF	
C[C@@]12N[C@H](CC3=C1CCCC3)[C@H]1CCCC[C@H]12	100659837	YGTVUMWZFUCODU-LCGIIJARSA-N	231.383	3.798	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@H]2C(=O)C1	2356578008	ABZDLUFXOKZOMD-NJZAAPMLSA-N	218.340	3.904	0	1	BHAF	
CC(=CCC[C@H](C)[C@@H]1C2C[C@H]3[C@@H](C2)C31C)CO	2356596891	UWSUGXFVYBVFDX-WMTCRKINSA-N	234.383	3.633	0	1	BHAF	
c1ccc([C@H]2CN3CCC[C@@H]3c3ccccc32)cc1	26666332	KJHWRRVSXANANB-QZTJIDSGSA-N	249.357	3.969	0	1	BHAF	
COc1cc(C=CC(C)=CC(C)C)oc(=O)c1C	2356449403	LFDOHNBSXGQBPQ-UHFFFAOYSA-N	248.322	3.572	0	1	BHAF	
CC[C@@H](C)C[C@H](C)c1oc(=O)c(C)c(O)c1C	2356829303	IWXSAAXASBMZBN-BDAKNGLRSA-N	238.327	3.502	0	1	BHAF	
C[C@]1(c2ccccc2)CC(c2ccccc2)=NO1	6442082	LSLHDHRGDNWNDN-MRXNPFEDSA-N	237.302	3.726	0	1	BHAF	
O=C(O)CCC[C@@H]1CC[C@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21	102184788	WWHSTYPFQBWANZ-MESWBBPLSA-N	248.366	3.560	0	1	BHAF	
Cc1coc2c1C[C@]1(C)[C@@H](C)CCC[C@H]1[C@@H]2O	238781044	FYJIYZRXJNERQZ-GZCFXPHUSA-N	234.339	3.620	0	1	BHAF	
C/C=C/C=C/c1cc2c3c(cccc3n1)CC2	587213618	LADPBFWKHCISAA-AOGGBPEJSA-N	221.303	3.923	0	1	BHAF	
CC(=CCCC(C)C)c1ccc(CO)cc1O	2356440112	NWPUHDAIOGMKFI-UHFFFAOYSA-N	234.339	3.724	0	1	BHAF	
CC1=C[C@@H]2C[C@](C)(O)C[C@H](C)[C@@H]2[C@H](C)CC1	2356524738	CQZPGEQDHSSUQN-QKGCVVFFSA-N	222.372	3.776	0	1	BHAF	
CCCCC/C=C/c1c(OC)cc(C)oc1=O	26639981	OOXSNOOQLQKHAR-CMDGGOBGSA-N	236.311	3.550	0	1	BHAF	
COc1ccc(O)c(CSc2ccccc2)c1	27998105	AIOQIGOQLVEMRD-UHFFFAOYSA-N	246.331	3.693	0	1	BHAF	
c1ccc2c(c1)[C@@H]1CC[C@]2(N2CCCCC2)C1	100802425	ADYWIWWZHCTASJ-CJNGLKHVSA-N	227.351	3.649	0	1	BHAF	
C[C@@H]1CCC(Nc2ccc(Cl)c3c2CCC3)=N1	143210941	QCNRKVGZPICBID-SECBINFHSA-N	248.757	3.821	0	1	BHAF	
C[C@H]1[C@H]2C[C@H](C[C@H]2[C@H]2CCC[C@H](O)C2)C1(C)C	238738030	BWVZAZPLUTUBKD-UJOWSUJOSA-N	236.399	3.856	0	1	BHAF	
C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@H]1c1cc(=O)cco1	2356393166	BVLXMXPVFHENSZ-FIRUKDTASA-N	244.334	3.736	0	1	BHAF	
CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@H](C)C[C@@H]12	2356501652	IZVJDVQPCGYZOX-MHEUCROKSA-N	222.372	3.920	0	1	BHAF	
CCCCCc1c(C(=O)OCC)[nH]c(C)c1C	2145301	NTWIJMIUIQORFA-UHFFFAOYSA-N	237.343	3.541	0	1	BHAF	
CC1(C)CCC[C@@]2(C)CC[C@](C)(O)[C@@H]3C[C@]312	14766739	YTLMZAPWDFQBAI-MXAVVETBSA-N	222.372	3.754	0	1	BHAF	biogenic
Cc1ccc([C@@H]2CN(C)Cc3ccccc32)s1	34434494	YTYBDRIOUDWUGR-CQSZACIVSA-N	243.375	3.634	0	1	BHAF	
COc1ccc(C(=N)/C=C(\O)C(C)(C)C)cc1	101655303	WWQSDWVFTTUVGA-DDOSQFGYSA-N	233.311	3.551	0	1	BHAF	
Cc1ccc(C)c2[nH]c(C(C)(C)Cl)nc12	587007716	HHHMFPUHAWDFPV-UHFFFAOYSA-N	222.719	3.654	0	1	BHAF	
CC(C)=CCC(=Cc1ccccc1)C(=O)O	2356423434	ZKVOPDUGWCSBPC-UHFFFAOYSA-N	216.280	3.511	0	1	BHAF	
CC(C)c1nc(Cc2c[nH]cn2)c(C(C)C)s1	13802725	CYOKBKNVQYMMBO-UHFFFAOYSA-N	249.383	3.704	0	1	BHAF	
CC(C)=C1CCC(C)=C2CC[C@@](C)(O)[C@H]2C1	15264312	ZVIMQWMKXPGGTC-LSDHHAIUSA-N	220.356	3.984	0	1	BHAF	biogenic,in-vitro
C[C@@H]1CC[C@H]2[C@H](C)CC[C@@H](c3ccoc3)N2C1	27518324	VACYOTYBTLYIEB-UXOAXIEHSA-N	233.355	3.851	0	1	BHAF	
CC1(C)OC(=O)C=C1CCC1CCCCC1	34504845	RYQGGPCEOMJOIR-UHFFFAOYSA-N	222.328	3.609	0	1	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@H](O)[C@@]3(C)CC[C@@]12C3	231211816	UQKRCCOELQIGCU-FUQNVFFISA-N	222.372	3.610	0	1	BHAF	
Fc1ccc2c(c1)[nH]c1c(F)cc(F)c(F)c12	653687424	DRLMIIGEHFCOJF-UHFFFAOYSA-N	239.171	3.878	0	1	BHAF	
CC(C)=C1CC[C@H](C)[C@@H]2C(=O)C[C@@H](C)C[C@@H]12	2356329382	CUDCDRWHADINCC-UHXUCMFUSA-N	220.356	3.984	0	1	BHAF	
CC1=CCC[C@]2(C)C[C@H](CO)C(C)(C)[C@@]12C	2356446930	SLMBSGIDLMLPQD-BPLDGKMQSA-N	222.372	3.778	0	1	BHAF	
CC(C)C1=C[C@H](O)[C@@H](C)CC=C[C@@H](C)CC1	2356524277	XRVZBFPDDHAYMH-IPYPFGDCSA-N	222.372	3.942	0	1	BHAF	
CO[C@@H]1OC=C[C@]12C[C@@H]1C=C(C)CC[C@@H]1C2(C)C	14713653	DUYMBGQPXANRME-AYDFFVQHSA-N	248.366	3.892	0	1	BHAF	biogenic
CC1=C2CC(C)(C)C[C@@H]2[C@H](O)c2cocc2C1	15168809	ZWRLWJAFBLTMSQ-JSGCOSHPSA-N	232.323	3.622	0	1	BHAF	biogenic
CC(C)[C@H]1CC[C@H](C)C2=CC=C(C(=O)O)[C@@H]2C1	238753307	IHNAAHBUSNYLDV-COPLHBTASA-N	234.339	3.646	0	1	BHAF	
CN(C)[C@H]1CCc2c(cccc2C2CCCC2)C1	1911584038	RPGGMPUMKSQSHG-HNNXBMFYSA-N	243.394	3.763	0	1	BHAF	
CCCc1cnc(-c2cc3sccc3n2C)[nH]1	1911585763	PSZUVBIKBGLRKU-UHFFFAOYSA-N	245.351	3.582	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](CO)[C@H]2CC1	2356322913	DESINCNMOXBQLZ-LXTVHRRPSA-N	222.372	3.633	0	1	BHAF	
CC1(C)CC[C@](C)([C@]23CC[C@@](C)(O)[C@@H]2C3)C1	2356402479	ICNMPYNAXDDQCA-MHEUCROKSA-N	222.372	3.754	0	1	BHAF	
Cc1cc(O)c2c3c1OC(C)(C)[C@H]3CC[C@H]2C	2356804943	VBLIRAVWSIHZMM-SCZZXKLOSA-N	232.323	3.853	0	1	BHAF	
C[C@@H]1CCC2=C3[C@@H]1CC[C@@]3(C)C[C@]2(C)CO	2356863836	UTKCUTQPQQMYJI-HKCMKHECSA-N	220.356	3.532	0	1	BHAF	
CC1=CC[C@@]2(C[C@@H]1O)[C@H](C(C)C)CC[C@H]2C	14413231	WBVRKDUUNZBZET-QPSCCSFWSA-N	222.372	3.776	0	1	BHAF	biogenic
CC[C@H](C)CCC[C@H]1CCCCC(=O)O1	14592103	FWCJVEHVQQNKBH-NWDGAFQWSA-N	212.333	3.689	0	1	BHAF	biogenic
CC1(C)C[C@@]2(C)CCC[C@]3(C)CC[C@@H]1[C@]32O	38435813	MXSUKODFXCEZJO-MYPMTAMASA-N	222.372	3.754	0	1	BHAF	
Fc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1F	587966269	CCOPUUJJLXQDJB-DJLDLDEBSA-N	246.260	3.521	0	1	BHAF	
CC1(C)CCO[C@@H](Sc2ccccc2)C1	1618027	LGFSMYAQZDDIGK-LBPRGKRZSA-N	222.353	3.941	0	1	BHAF	
c1cncc(-c2nc3ccccc3n3cccc23)c1	203385475	YYLFSLFSCWVKLI-UHFFFAOYSA-N	245.285	3.550	0	1	BHAF	in-vitro
CC(C)Cc1ccc(-c2ccccc2)c(O)n1	653798397	KMCIPOJEDUNHOB-UHFFFAOYSA-N	227.307	3.653	0	1	BHAF	
CCc1cc(=O)oc2c1cc(C)c1occ(C)c12	1857634430	FVSOCHCVSPQJSV-UHFFFAOYSA-N	242.274	3.718	0	1	BHAF	
CC[C@@H]1CCC[C@](C)(CO)[C@@H]2C=C[C@H](C)[C@@H]21	2356491318	HHMZGTLMFPVSNL-NJVJYBDUSA-N	222.372	3.633	0	1	BHAF	
C[C@@]1(Cc2ccco2)CC[C@@H](c2ccoc2)O1	2356509713	YIVXUDBTOBDAFL-KBPBESRZSA-N	232.279	3.726	0	1	BHAF	
Cc1cc(O)c2c3c1OC(C)(C)[C@H]3CC[C@@H]2C	2356804945	VBLIRAVWSIHZMM-WPRPVWTQSA-N	232.323	3.853	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@H]1c1ccccc1OC	28086713	NHIZHIQMHLZUQZ-GJZGRUSLSA-N	247.382	3.673	0	1	BHAF	
CC1=CCC(C)(C)C[C@@H]2[C@@H](C)CC[C@@]2(O)C1	33845695	FRGHPWUZLHMCQW-GZBFAFLISA-N	222.372	3.920	0	1	BHAF	
CCCCCC=CC=CC(=O)NC[C@@H](C)CC	2356427539	DNFXVYXFGYXVTF-AWEZNQCLSA-N	237.387	3.841	0	1	BHAF	
CC1=CC[C@@]23C[C@H]1C(C)(C)[C@H]2C(=O)C[C@H]3C	2356444214	ORWURSUFHQIHMR-CVMIBZJCSA-N	218.340	3.594	0	1	BHAF	
CC(=CCC[C@H](C)c1ccc(C)cc1)C(=O)O	2356642481	JDKJVDRJDPKBER-LBPRGKRZSA-N	232.323	3.910	0	1	BHAF	
CC(C)C1=C2CC[C@H](CO)CC[C@]2(C)CC1	13432648	RVCIHQWCEFELJN-SWLSCSKDSA-N	222.372	3.922	0	1	BHAF	biogenic
CC1=CC[C@]2(C)C(=C(C)[C@H](O)C[C@H]2C)CC1	14649716	PYNBPBFJIFSMEA-DFBGVHRSSA-N	220.356	3.840	0	1	BHAF	biogenic
CCCCN1COc2ccc3ccccc3c2C1	53246747	DSJTWJRHVURTMB-UHFFFAOYSA-N	241.334	3.792	0	1	BHAF	
C[C@H]1CCC/C=C\C/C=C/CCCC(=O)O1	231933361	JSZKXZJGTWVDOI-PTXVPCQCSA-N	222.328	3.775	0	1	BHAF	
CC/C=C/C=C/C=C/C=C/CCCCO	238779886	BLTWGWDMUNKAIK-BYFNFPHLSA-N	206.329	3.784	0	1	BHAF	
CC1(C)C=Cc2nc3cccc4c3c(c2C1)CC4	587214906	FOSJUVDZAXPFBC-UHFFFAOYSA-N	235.330	3.929	0	1	BHAF	
CC(C)=C[C@@H](O)C[C@H](C)c1ccc(C)cc1O	2356400589	DAFWWLAEHTUEEF-QWHCGFSZSA-N	234.339	3.521	0	1	BHAF	
CC1(C)C=C(NC=O)[C@]23CCC[C@@](C)(CC[C@H]12)C3	2356414833	RQTIGQNOHSJVTD-KCXAZCMYSA-N	247.382	3.633	0	1	BHAF	
CC1=CCC[C@]2(C)C[C@@H](O)C(=C(C)C)C[C@H]12	2356781587	IXLZPSFSDTUQHG-RBSFLKMASA-N	220.356	3.840	0	1	BHAF	
CC1=CCC(C(C)C)=C[C@@H]2[C@H]1CC[C@@]2(C)O	15264406	BUDAMKOGABENTE-RRFJBIMHSA-N	220.356	3.696	0	1	BHAF	biogenic
C/C=C(/C)C(=O)Oc1ccc(/C=C/C)cc1	90373310	UCQRFKUYPJOHMR-XEUXBCEPSA-N	216.280	3.591	0	1	BHAF	
CCCCc1cc(O)cc(CCCC)c1O	95910493	HBHVBOUUMCIGMG-UHFFFAOYSA-N	222.328	3.783	0	1	BHAF	biogenic,in-vitro
Fc1ccc(Oc2nccc3[nH]ccc23)c(F)c1	169332145	RELPPOJGGXOECP-UHFFFAOYSA-N	246.216	3.633	0	1	BHAF	
CCCCCC(=O)[C@H]1C[C@@H]2C=C(C)[C@H]1C2	238731147	DODAHWXKYGJIBN-UPJWGTAASA-N	206.329	3.738	0	1	BHAF	
CC1=C2C[C@]3(C)C(=CCC[C@@H]3C)C=C2OC1=O	15200762	ZRQPXMOBGPJKMQ-VFZGTOFNSA-N	230.307	3.510	0	1	BHAF	biogenic
C[C@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	17427384	YJHVMPKSUPGGPZ-SFDCQRBFSA-N	224.388	4.000	0	1	BHAF	
Fc1ccc([C@H]2CC[C@H]3CCCCN32)cc1	26725988	PDMCTWSKGUWUCZ-ZIAGYGMSSA-N	219.303	3.515	0	1	BHAF	
CCN1[C@H]2CC[C@H]1[C@@H](c1ccc(Cl)cc1)C2	253683575	BYKWZRJIQJVYGD-MJBXVCDLSA-N	235.758	3.680	0	1	BHAF	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(C)cc2[nH]1	586911846	MQQLZVUJWYQBAU-FZMZJTMJSA-N	244.338	3.544	0	1	BHAF	
C/C=C/c1nc2cccc3c2c(c1C)CC3	587214333	RXUKKWMBKGIXHQ-HWKANZROSA-N	209.292	3.675	0	1	BHAF	
CC1=Cc2nc3cccc4c3c(c2CC1)CC4	587216090	ZCPPYFYOOSJOEB-UHFFFAOYSA-N	221.303	3.683	0	1	BHAF	
CCCCCC=CC=CC(=O)NCCC(C)C	2356549181	ULOLHZSIMBITQO-UHFFFAOYSA-N	237.387	3.841	0	1	BHAF	
C[C@@H]1C=C[C@H](Sc2ccccc2)CC[C@@]1(C)O	5824119	VQXHVWVYZZSMHI-VHDGCEQUSA-N	248.391	3.884	0	1	BHAF	
CC[C@@H](C)CCCCC[C@@H]1CCC(=O)O1	13463056	PVESYPDFVMTIBG-VXGBXAGGSA-N	212.333	3.689	0	1	BHAF	biogenic
CCCN(CCC)C[C@@H]1C[C@@H]1c1cccc(O)c1	27417396	QNBSKBSCVXNBIF-GOEBONIOSA-N	247.382	3.618	0	1	BHAF	
CCCOc1ccc2cc(C[C@@H](C)N)ccc2c1	40893817	CRXAYNAYXGFRGO-GFCCVEGCSA-N	243.350	3.518	0	1	BHAF	in-vivo
CC1=CC[C@H](C2=CC[C@@H](CO)CC2)C1(C)C	64624726	XQIOPWXEFQXMSF-TZMCWYRMSA-N	220.356	3.698	0	1	BHAF	in-vitro
C[C@@]12Cc3ccccc3[C@@H]3[C@H](c4ccccc41)N32	100649389	CJSJQKUMMPPBMD-SOABOVLPSA-N	233.314	3.570	0	1	BHAF	
CC[C@@H](C)C(=O)O[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C	103822363	CEVCMCWHMHJEQS-ZAZJYDDPSA-N	238.371	3.791	0	1	BHAF	in-man
O=C(c1ccc(F)s1)c1coc2ccccc12	587280943	JLZVOABIZSYELA-UHFFFAOYSA-N	246.262	3.864	0	1	BHAF	
C=C[C@]1(C)CC[C@@H]([C@@H](C)C(=O)c2cc(C)co2)O1	13456425	DJFSWRNRUGTHCI-TYNCELHUSA-N	248.322	3.531	0	1	BHAF	biogenic
CC(=O)CC[C@H]1[C@H](C2=CCC=C2C)C1(C)C	14721253	NYGIBOIEPYXYQN-KBPBESRZSA-N	218.340	3.904	0	1	BHAF	biogenic
CC(C)=CCC[C@@](C)(O)CCC[C@@H](C)CCO	15214221	SYBUVPWLOMFION-HUUCEWRRSA-N	242.403	3.673	0	1	BHAF	biogenic
Cc1csc(Nc2cc3ccccc3cn2)n1	66165786	HHKAAUCMZGKNOQ-UHFFFAOYSA-N	241.319	3.743	0	1	BHAF	
N#Cc1ccc(/C=C/c2cccc(C#N)c2)cc1	116856468	CLNHYPRJUHSFKH-QPJJXVBHSA-N	230.270	3.600	0	1	BHAF	
C[C@@]12N[C@H](CC3=C1CCCC3)[C@@H]1CCCC[C@H]12	253694726	YGTVUMWZFUCODU-DTZQCDIJSA-N	231.383	3.798	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(C)cc(F)c2[nH]1	586886955	DUQSQNAJVDIDJV-OTYXRUKQSA-N	232.302	3.914	0	1	BHAF	
c1ccc(Sc2nccc3ccccc23)nc1	1911579700	JKUBVFSRROSDQO-UHFFFAOYSA-N	238.315	3.781	0	1	BHAF	
CC1=C2CC[C@@H](C)[C@@H]2C[C@H](C(C)(C)O)CC1	6030777	LGOFSGDSFQNIAT-BZPMIXESSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
COCCCCCCCCCC[C@@H](F)C(=O)O	6482912	YQPQOBVFFLOPAA-GFCCVEGCSA-N	248.338	3.566	0	1	BHAF	
N=C1C[C@H](c2ccccc2)c2ccccc2N1	96908691	ZIEPGDHLBJIXNE-CYBMUJFWSA-N	222.291	3.611	0	1	BHAF	
CC1=CCC(C)(C)C[C@H]2[C@H](C)CC[C@]2(O)C1	137344315	FRGHPWUZLHMCQW-IPYPFGDCSA-N	222.372	3.920	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(F)cc2[nH]1	586887744	HOUZFZZGEWASLI-NOZJJQNGSA-N	218.275	3.606	0	1	BHAF	
Fc1cccc2nc(C3(F)CCCCC3)[nH]c12	587133170	ZCJZJNJGTXALHG-UHFFFAOYSA-N	236.265	3.831	0	1	BHAF	
C[C@@H]1C=C[C@@H]2CCCC[C@H]2[C@@H]1c1cc(=O)cco1	2356393165	BVLXMXPVFHENSZ-FAXLKDOZSA-N	244.334	3.736	0	1	BHAF	
C[C@@]12CC[C@H](CO)[C@@H](C1)[C@@]1(C)CCC[C@]21C	2356404019	AQPTUSRPCDHRQG-KJWHEZOQSA-N	222.372	3.611	0	1	BHAF	
CC=CC(C)=C[C@H](C)[C@H](O)[C@@H](C)CCC	2356561206	TZAIZDJNSHBBJW-MELADBBJSA-N	210.361	3.942	0	1	BHAF	
C[C@@]12CC[C@H]3c4ccccc4CC[C@@]3(CO1)C2	169298965	ADMBBYIIHVULRI-JYJNAYRXSA-N	228.335	3.676	0	3	BHAF	
c1ccc(-c2ccc3ccn4ccnc4c3n2)cc1	40380765	GEPXWAHOOCLVOY-UHFFFAOYSA-N	245.285	3.550	0	1	BHAF	
OCCCCCCC/C=C/C=C/Cl	59724852	DCAPJKJJDGWZRB-ONNLMXTPSA-N	202.725	3.628	0	1	BHAF	
CC(C)=CCC[C@H](C)[C@]12CC[C@](C)(O)[C@H]1C2	100823536	IRDFGGRWKUKANK-LJISPDSOSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
CCCCOc1cccc(OCCC)c1	103208745	UBJTWQBSDPQIAF-UHFFFAOYSA-N	208.301	3.654	0	1	BHAF	
CCCCC=CCc1cc(=O)c2ccccc2[nH]1	2356832070	JTGBNWNWYMASDF-UHFFFAOYSA-N	241.334	3.817	0	1	BHAF	
C[C@@H]1CCC[C@]2(C)CCC(C(C)(C)O)=C[C@@H]12	15209595	YAQHBZWQFWXJOL-OSAQELSMSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1(C)[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]21	587215267	KLODVKRAYXHGBO-WFASDCNBSA-N	235.330	3.629	0	1	BHAF	
CCCCCC[C@@H](C)C[C@@H](C)/C=C/C(N)=O	1857768637	ASWIDATXPVRDFO-GBYBRZQVSA-N	225.376	3.661	0	1	BHAF	
CC(C)CCCCCCC(=O)c1cnc[nH]1	1911573337	RLVBUGYVLHBFAA-UHFFFAOYSA-N	222.332	3.589	0	1	BHAF	
C[C@@H]1CCCCCC/C=C/CCCC(=O)O1	14722595	UNYFVMZKRMXDRF-DIECRNLCSA-N	224.344	3.999	0	1	BHAF	
C[C@@H]1CC[C@H](c2ccoc2)N2CCCC[C@@H]12	14959640	IUJJCTCKEGZSSR-KWCYVHTRSA-N	219.328	3.605	0	1	BHAF	biogenic
C[C@]12N[C@H](c3ccccc31)[C@@H](F)c1ccccc12	27892640	ZALAPTYRPBPOQR-ARFHVFGLSA-N	239.293	3.619	0	1	BHAF	
C[C@]12Cc3ccccc3[C@@H](C=N1)c1ccccc12	100649407	MZHFRMGXHVOIHQ-NVXWUHKLSA-N	233.314	3.674	0	1	BHAF	
CC1=C2C=C([C@H](O)C(C)C)C[C@@]2(C)CCC1	238749267	UOVORXZPBDGJCT-HUUCEWRRSA-N	220.356	3.840	0	1	BHAF	
C[C@@H]1C[C@@H]1C(=O)c1coc2ccc(Cl)cc12	587277763	AQIVZXRPLPPZMV-APPZFPTMSA-N	234.682	3.925	0	1	BHAF	
Cc1cc2nc(C=C3CCC3)[nH]c2cc1C	587965752	WKANHZXTNYSUQP-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
Fc1ccc2cc(C=Cc3ccncc3)[nH]c2c1	1857592299	MUKKWDLWOVITST-UHFFFAOYSA-N	238.265	3.872	0	1	BHAF	
c1ccc2cc(OCN3CCCCC3)ccc2c1	26670586	GNTKMXBIYZOLFX-UHFFFAOYSA-N	241.334	3.662	0	1	BHAF	
Cc1cccc2nc(-c3occ4c3CCC4)[nH]c12	586905433	OIOHOPMXXUKWJE-UHFFFAOYSA-N	238.290	3.620	0	1	BHAF	
Cc1cccc(-c2c(C)[nH]c3cccc(F)c23)n1	587636807	JMEREFIQIWKAJV-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)CC[C@H]2C(C)C)C[C@@H]1O	2356340716	WEDRSLQTRJEVCH-QEJZJMRPSA-N	220.356	3.696	0	1	BHAF	
CC1=CC2=C(C)C(=O)OC2=C[C@@]12CCC[C@@H]2C	14713694	KUNRAMULIXAXIK-BJOHPYRUSA-N	230.307	3.510	0	1	BHAF	biogenic
COc1ccc(CC2=CC[C@H](C)CC2)cc1	26844744	ANCZDJPRPQIWHV-LBPRGKRZSA-N	216.324	3.984	0	1	BHAF	
CC(=O)c1ccc2[nH]c3cc(C)ccc3c2c1	53313464	YNKFXJJSPLSRRJ-UHFFFAOYSA-N	223.275	3.832	0	1	BHAF	in-vivo
C/C=C1C(=O)O[C@H]2CCC/C(C)=C\CC/C=C/12	85530876	BLDMEGILGNNZET-UMBAVKRYSA-N	232.323	3.695	0	1	BHAF	biogenic,in-vitro
CCCCOC[C@H](C)CC=C[C@H](C)[C@H](O)CC	2356394615	FADLKENMLJJTQC-QLFBSQMISA-N	242.403	3.793	0	1	BHAF	
CC(C)CCC[C@]1(C)OC(=O)c2cc(O)ccc21	2356718781	GPIRSXJJDGTHNR-HNNXBMFYSA-N	248.322	3.604	0	1	BHAF	
Cc1cc2c3c(ccc2o1)OC(C)(C)C=C3	40957468	MHKJHYSYMGJSOK-UHFFFAOYSA-N	214.264	3.925	0	1	BHAF	
CCCC(=O)c1cc2c3ccccc3nc-2c[nH]1	100640591	SHTOUNSWZVCSOU-UHFFFAOYSA-N	238.290	3.651	0	1	BHAF	in-vivo
CC[C@@H](C)c1ccc2[nH]c(C)c(NC(C)=O)c2c1	587642562	MONDAWBPQRNXPD-SECBINFHSA-N	244.338	3.948	0	1	BHAF	
CCCCc1cc(OC)c2ccccc2c1O	5831952	AXXSITVSEZLWHJ-UHFFFAOYSA-N	230.307	3.897	0	1	BHAF	
FC1(c2nc3ccccc3[nH]2)CCCCC1	587132174	LTTQYSAXCMVTOZ-UHFFFAOYSA-N	218.275	3.692	0	1	BHAF	
c1ccc(-c2cncc(C3=NCCCC3)c2)cc1	96272819	QOWBJHLJMBYNKV-UHFFFAOYSA-N	236.318	3.722	0	1	BHAF	
COc1c2c(c3ccccc3c1O)[C@@H]1C=C[C@@H]2C1	102937960	ISTNMYZRHAPWOD-NXEZZACHSA-N	238.286	3.695	0	1	BHAF	
CC/C=C(\c1ccccc1)c1cccnc1	103180822	UVFAVZLAJTUFCE-VIZOYTHASA-N	209.292	3.923	0	1	BHAF	
CN1[C@]2(C)c3ccccc3[C@@]1(C)[C@@H]1CCCC[C@@H]12	25996352	IUXYFUGTQWYCGM-QFVTYJHISA-N	241.378	3.882	0	1	BHAF	
C[C@@H]1c2ccccc2C[C@H]2N[C@]1(C)c1ccccc12	28755915	YDZRGMYVEGSVTL-PJSAGSTRSA-N	249.357	3.906	0	1	BHAF	
CC[C@H](C)[C@H]1C[C@H](Cc2ccccc2)SC1=O	34083877	BGCYZMXAVKUSEX-FPMFFAJLSA-N	248.391	3.924	0	1	BHAF	
CC(C)(C)CCn1cncc1-c1ccccc1O	117619138	YLXKGUBTHVEEHL-UHFFFAOYSA-N	244.338	3.692	0	1	BHAF	
c1ccc(-c2ccc(-c3ccncn3)s2)cc1	169328340	LCLIJPHDTQDHJR-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
Cc1c(F)ccc2nc(C=C3CCC3)[nH]c12	587964555	CIDIEBSSHFMXLN-UHFFFAOYSA-N	216.259	3.578	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@H](C)[C@@H]2[C@H](O)C1	14918022	BEIGEIPJNFKPQA-MYPMTAMASA-N	220.356	3.696	0	1	BHAF	biogenic
CCCCC/C=C1\OC(=O)c2ccccc21	28957508	CEOYKTVYMNSJMU-RAXLEYEMSA-N	216.280	3.778	0	1	BHAF	
CC1(C)[C@H]2CC[C@]3(C)CCC[C@@](C)(O)[C@@H]3[C@H]21	86022617	CJRKEDMYNFITCQ-ZZVJUGKHSA-N	222.372	3.610	0	1	BHAF	
c1cc2cc(Nc3ccc4cc[nH]c4n3)ccc2[nH]1	144956439	LZGWRTPFUAMNCU-UHFFFAOYSA-N	248.289	3.788	0	1	BHAF	
Clc1cnc(Cl)c2[nH]c(C3CCC3)nc12	586885093	WIRWHYNXOHJPCO-UHFFFAOYSA-N	242.109	3.532	0	1	BHAF	
Cc1ccc([C@@H](C)CC[C@H]2OC2(C)C)cc1O	13377486	BQAQGBHVNVLESL-IINYFYTJSA-N	234.339	3.762	0	1	BHAF	biogenic
CC1=CC[C@@H]([C@@]2(C)CC(=O)CC(C)(C)O2)CC1	14682137	FBZSMLWLLPEEKP-IUODEOHRSA-N	236.355	3.650	0	1	BHAF	biogenic
CC1=CC[C@@]2(CC1)[C@H](C)CC[C@H]2C(C)(C)O	33830405	XDVDHFJMCJWDPI-VNHYZAJKSA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
C[C@H]1CC[C@H]2C1=C[C@@H](C(C)(C)O)CC[C@@H]2C	85827378	JSCBEOXFGCAOKV-ZDEQEGDKSA-N	222.372	3.776	0	1	BHAF	
C[C@]12CC3C[C@]1(C)CC3(NCc1cccs1)C2	101673478	AELLQSWFXILZQL-INTODGSJSA-N	247.407	3.807	0	1	BHAF	
CCCCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	1850787	ILUAVCBOWYHFAI-SLEUVZQESA-N	238.371	3.935	0	1	BHAF	endogenous,in-man
COc1cc2c(cc1C)[C@H](C(C)C)[C@@H](O)C[C@H]2C	14918338	SGRUYFUVJPWQIO-OOVXXXAESA-N	248.366	3.611	0	1	BHAF	biogenic
Cc1nccc(-c2cnn(-c3ccccc3)c2)c1C	84619991	LRGZPMFVDLUUNW-UHFFFAOYSA-N	249.317	3.551	0	1	BHAF	
CNC12C[C@H]3CC(C)(C[C@H](C1)c1ccccc13)C2	102918046	ZNIYFCIQSWTUJU-QJRTVWDNSA-N	241.378	3.810	0	1	BHAF	
Cc1cc2occc2cc2c(C=O)ccc1-2	238748583	PUKNCIOQAWMLNU-UHFFFAOYSA-N	210.232	3.659	0	1	BHAF	
CC1=C[C@H]2[C@@H]([C@@H](O)CC(C)=CCC1)C2(C)C	1857742755	DYXWUZXSAMLWND-IHRRRGAJSA-N	220.356	3.696	0	1	BHAF	
C[C@@H]1CCC[C@]2(O)CC[C@@H]3[C@@H](C3(C)C)[C@@]12C	2356564762	BREDZYPEWIDOOH-AMVBZWJASA-N	222.372	3.610	0	1	BHAF	
CC1=CC[C@@H](c2coc(CC(C)C)c2)C[C@@H]1O	13376998	SNMIMWYZCXBQQW-DOMZBBRYSA-N	234.339	3.663	0	1	BHAF	biogenic
CC1=C[C@]2(O)[C@H](C(C)C)CC[C@H](C)[C@H]2CC1	13381735	IBKURWQMJZETQA-XQLPTFJDSA-N	222.372	3.776	0	1	BHAF	biogenic
CC(C)CCC[C@H]1CC(=O)[C@@H](C(C)C)C(=O)C1	238786744	AIZFTHHPMACFTH-NNUKFRKNSA-N	238.371	3.633	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(F)c(F)c2[nH]1	586888319	IOPSZQIMKRWXOE-CPFSXVBKSA-N	236.265	3.745	0	1	BHAF	
CC(C)[C@@H](C=C[C@]1(C)CCCO1)CC[C@H](C)O	2356471760	YOMJFGRYEWDLQO-ZNMIVQPWSA-N	240.387	3.545	0	1	BHAF	
CCCCCC1=N[C@H](CC(C)=O)CCC1	2356507992	NKPHHWKIIMACPX-ZDUSSCGKSA-N	209.333	3.539	0	1	BHAF	
Cc1ccc(NC2=NCCCS2)c(C)c1C	338703	CXVJKQUOGCFXSP-UHFFFAOYSA-N	234.368	3.517	0	3	BHAF	
CCCc1nc2cccc3c2c(c1C)CC3	587213193	GZIPOWJJRHDKOU-UHFFFAOYSA-N	211.308	3.594	0	1	BHAF	
C[C@@H]1C=C2C=C[C@H](C)[C@H](CCC(=O)O)[C@@H]2CC1	2356613884	AZUBMNMSJJDMQQ-AUZPSNTRSA-N	234.339	3.646	0	1	BHAF	
CN1C=Nc2ccccc2C[C@H]1c1ccccc1	49720165	NIOUCIOFBGANGE-INIZCTEOSA-N	236.318	3.576	0	1	BHAF	
O=Cc1c2c(cc3ccc(Cl)cc13)CCC2	150205191	JNXFTEMBOXSUDV-UHFFFAOYSA-N	230.694	3.794	0	3	BHAF	
CC1=C[C@@H](C)[C@H](C2OCC(C)(C)CO2)[C@H](C)C1	4094058	LBGGUVCPIQFOJE-UPJWGTAASA-N	238.371	3.624	0	1	BHAF	
Cc1c(O)cc(-c2cc3ccccc3o2)cc1O	13335210	UJNBNDIUQWFUNM-UHFFFAOYSA-N	240.258	3.819	0	1	BHAF	biogenic,in-vitro
C/C1=C/CC[C@H](C)C(=O)Cc2c(C)coc2C1	15160671	ZLESWHXADLWJPV-VQNWOSHQSA-N	232.323	3.618	0	1	BHAF	endogenous,in-man
CCC=C(c1ccccc1)c1cccnc1	1857742475	UVFAVZLAJTUFCE-UHFFFAOYSA-N	209.292	3.923	0	1	BHAF	
CC1=C2C[C@](C)(C(=O)O)C[C@H]2C[C@H](C)C12CC2	2356611363	UJGMUYZMHUNIBX-DRCTWCGVSA-N	234.339	3.624	0	1	BHAF	
Cc1c(C2(O)CCCCC2)[nH]c2ccccc12	61969054	IOABOMPNMGIZJL-UHFFFAOYSA-N	229.323	3.628	0	3	BHAF	
CN1CCC=C(c2c[nH]c3ccc(Cl)cc23)C1	26744581	JWABNQLIPLHIJL-UHFFFAOYSA-N	246.741	3.540	0	1	BHAF	
CC/C=C/CCCC(=O)CCCCCC(=O)O	59724745	WPGZVCKWXQHYGF-ONEGZZNKSA-N	240.343	3.727	0	1	BHAF	
CCC1S[C@H](CC)O[C@@H](CC)S1	95620000	GQNYEPIOQFSEAZ-HTQZYQBOSA-N	206.376	3.691	0	1	BHAF	endogenous,in-man
Cc1c(-c2ccccn2)[nH]c2cc(F)ccc12	587637185	XLZRCQSYPVQQLF-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
Cc1[nH]nc2ccnc(-c3cccc(Cl)c3)c12	1857616258	JQPVVSUPZJFYBM-UHFFFAOYSA-N	243.697	3.587	0	1	BHAF	
CC[C@H]1CC[C@@]2(CCCC[C@@H](CC)O2)O1	13458482	SOXITGSDPZLVJM-FRRDWIJNSA-N	212.333	3.641	0	1	BHAF	biogenic
Cc1cc(C)cc(SCC(=O)C(F)(F)F)c1	13859423	TXPFCNFGUFSRQS-UHFFFAOYSA-N	248.269	3.527	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@H]1CC=C1C(=O)OCC[C@@H]12	14765052	NSOSZHUQSHPOOM-HEHGZKQESA-N	248.366	3.712	0	1	BHAF	biogenic
Cc1csc(-c2ccc3cn[nH]c3c2)c1	205145110	BHEOILFRRKTFTA-UHFFFAOYSA-N	214.293	3.600	0	1	BHAF	
C[C@H](O)[C@@H](C)C/C=C/C=C/c1ccccc1	238773187	ARROMLOSFCWJKF-WRXWZJTCSA-N	216.324	3.663	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)C(CO)=CC[C@H]2C(C)C	12153201	XDKFSOYELINRIA-ZNMIVQPWSA-N	220.356	3.554	0	1	BHAF	biogenic
CC1=COC=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	14616075	MHBHVBZBPFDCSL-IPYPFGDCSA-N	236.355	3.628	0	1	BHAF	biogenic
C[C@@H]1C(=O)CCC2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C	14856054	VTAKEPOARDGNDA-RNKJKDHYSA-N	218.340	3.594	0	1	BHAF	biogenic
CCc1nc(-c2ccco2)c2sccc2n1	29048303	UPHUXPVSRYTEBO-UHFFFAOYSA-N	230.292	3.514	0	1	BHAF	in-vivo
Oc1c(Cl)cccc1N1CCCCCCC1	66100022	JYYGSOAPLRDFPX-UHFFFAOYSA-N	239.746	3.816	0	1	BHAF	
CCC[C@H]1CCC[C@]2(CCC[C@H](C)O2)O1	86052048	QXUAOIHBLJZVTQ-AVGNSLFASA-N	212.333	3.641	0	1	BHAF	
Clc1ccccc1-c1cc2n(n1)CCCC2	96911191	VTTJIVGNHWWFOS-UHFFFAOYSA-N	232.714	3.540	0	1	BHAF	
C/C=C(\C)c1cc2c3c(cccc3n1)CC2	587214399	UDKYHHNYLNQEQD-XCVCLJGOSA-N	209.292	3.757	0	1	BHAF	
C[C@@H]1CC[C@](C)(O)[C@@H]2CC[C@@H]3[C@@H](C3(C)C)[C@@]12C	2356628112	GYIFZGHOLFRCQN-BVQXACOFSA-N	236.399	3.856	0	1	BHAF	
c1ccc(CCCCCCc2c[nH]cn2)cc1	13838092	CFJGLJRJJSSDSW-UHFFFAOYSA-N	228.339	3.755	0	1	BHAF	
C=C1CCC[C@]2(C)CC[C@@H](C(C)C)[C@@H]2C1=O	14559427	XWNLLHLOYWVRDK-GZBFAFLISA-N	220.356	3.984	0	1	BHAF	biogenic
NC1=N[C@H]2CCCCCCCCCC[C@@H]2S1	29338212	MCEJXYVWBFSGNW-RYUDHWBXSA-N	240.416	3.700	0	1	BHAF	
CC(C)Cc1nc2ccccc2c2ccn(O)c12	71329398	LYDHICJEEQQDAM-UHFFFAOYSA-N	240.306	3.625	0	1	BHAF	
CC1=C[C@H]2[C@@H](C(C)C)CC[C@H](C)[C@]2(O)CC1	83923140	COGPRPSWSKLKTF-LJISPDSOSA-N	222.372	3.776	0	1	BHAF	in-vitro
C[C@@H]1CC[C@H]2C1=C[C@H](C(C)(C)O)CC[C@H]2C	238776706	JSCBEOXFGCAOKV-FDYHWXHSSA-N	222.372	3.776	0	1	BHAF	
CC[C@H](C)c1nc2ccc3c(c2[nH]1)CCCC3	587956679	UNLLBECDINRECN-JTQLQIEISA-N	228.339	3.955	0	1	BHAF	
CC(C)C1=CC[C@@H](C)[C@H](O)C=C[C@@H](C)CC1	2356329355	BSRRJWBQIJEMIW-GZBFAFLISA-N	222.372	3.942	0	1	BHAF	
CC1=CCC[C@]2(C)C[C@@H](CO)C(C)(C)[C@@]12C	2356446932	SLMBSGIDLMLPQD-NWANDNLSSA-N	222.372	3.778	0	1	BHAF	
CC(C)=C1CC2=C(C)CCC[C@@]2(C)C[C@H]1O	15206901	RCQMVGPZIQPQEA-CABCVRRESA-N	220.356	3.984	0	1	BHAF	biogenic
CC1=C(CO)C[C@]2(C)CC[C@@H](C)[C@@H](C)[C@]12C	238776744	LQSXQOJTPQIGMH-HKCMKHECSA-N	222.372	3.778	0	1	BHAF	
C[C@H]1C[C@@H]1C(=O)c1coc2ccc(Cl)cc12	587277764	AQIVZXRPLPPZMV-CBAPKCEASA-N	234.682	3.925	0	1	BHAF	
C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@@H]1CCC(=O)O	2356609155	PWQNLFCXVDTJKD-DHGKCCLASA-N	236.355	3.726	0	1	BHAF	
CCOc1c(C)cc2c(c1C)C=CC(C)(C)N2	28006536	YNHDDZWQORZVKB-UHFFFAOYSA-N	231.339	3.919	0	1	BHAF	
CC1=C[C@H]2[C@H](CC1)[C@@](C)(O)CC[C@@H]2C(C)C	33952852	LHYHMMRYTDARSZ-KBXIAJHMSA-N	222.372	3.776	0	1	BHAF	biogenic,in-vitro
c1cncc(-c2cccc(-c3cccs3)n2)c1	40860929	CEUBEUDFYZXCDE-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
CC[C@H]1C(=O)Oc2cc(-c3ccccc3)ccc21	100711310	YWJCIGFTHQCRKY-CYBMUJFWSA-N	238.286	3.766	0	1	BHAF	
CCCCCCc1c(O)c2ccccc2oc1=O	222221312	JTEHDKFRWHISDV-UHFFFAOYSA-N	246.306	3.621	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC=C(C)[C@H]2[C@H](O)C1	238751994	STLBTFMCSOXEAQ-BYNSBNAKSA-N	220.356	3.552	0	1	BHAF	
Cc1ccnc(-c2c(C)[nH]c3cccc(F)c23)c1	587637153	WJXKFDSDBHVNEA-UHFFFAOYSA-N	240.281	3.986	0	1	BHAF	
CC[C@@H](C)C[C@H]1NCCc2c1sc(C)c2C	963021604	JWLJSGXTLNXQAA-NOZJJQNGSA-N	237.412	3.988	0	1	BHAF	
CC(=CCC[C@@H](C)[C@@H]1C2C[C@H]3[C@@H](C2)C31C)CO	2356596888	UWSUGXFVYBVFDX-CDHVUBSISA-N	234.383	3.633	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)C[C@H](O)[C@@H](C)[C@H]2CC1	2356672080	VYRPEQZTLXTRND-NEBZKDRISA-N	220.356	3.696	0	1	BHAF	
CCC1=CN(CC(=O)c2ccccc2)[C](C)C=C1	2356814447	SPAGMVOGLVUVTF-UHFFFAOYSA-N	240.326	3.587	0	1	BHAF	
CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@H](C)[C@]2(O)CC1	34620324	COGPRPSWSKLKTF-KBUPBQIOSA-N	222.372	3.776	0	1	BHAF	
Cc1nc2cccc3c2c(c1C(C)C)CC3	587213666	LZCXGDHVPLVOEX-UHFFFAOYSA-N	211.308	3.765	0	1	BHAF	
CN[C@@H]1c2ccccc2CSc2sccc21	6179260	VZGHHWFXUKTTOM-GFCCVEGCSA-N	247.388	3.663	0	1	BHAF	
Cc1coc2c(O)c3c(c(C)c12)[C@@H](C)CCC3=O	13300757	NDJUBPMEWUVPGM-ZETCQYMHSA-N	244.290	3.835	0	1	BHAF	biogenic
CC[C@@H](C)CCC[C@@H]1CCCCC(=O)O1	14592100	FWCJVEHVQQNKBH-NEPJUHHUSA-N	212.333	3.689	0	1	BHAF	biogenic
C=C1CC[C@H](O)[C@]2(C)CC[C@@H](C(C)C)C=C12	15206962	SKTNVTDTHGDEEV-VHDGCEQUSA-N	220.356	3.696	0	1	BHAF	biogenic
CC1=CCC[C@]2(C)C(=O)c3occ(C)c3C[C@@H]12	96085374	PJUXIGJXLKHONL-WFASDCNBSA-N	230.307	3.689	0	1	BHAF	in-vitro
C[C@H]1[C@H](C)CC=C2C[C@H](CO)C(C)(C)[C@@]21C	2356565681	IEYRHRAWZNLSQL-NDPMZMCLSA-N	222.372	3.633	0	1	BHAF	
CC=C(C)C=CC=C[C@@H]1[C@@H]2C[C@@H]2[C@@H]2CCCCN21	2356856118	RXGCHRLOGKSOBG-TWMKSMIVSA-N	243.394	3.938	0	1	BHAF	
CC1=NCCc2c1cc1c([nH]c3ccccc31)c2C	4802584	RPTKLLFNBLHSPE-UHFFFAOYSA-N	248.329	3.995	0	1	BHAF	biogenic
CN1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2	6438046	VLCYEEZZWPPQPM-DQGBIZLVSA-N	233.399	3.687	0	1	BHAF	
O[C@H](c1ccc(OCC2CCCC2)cc1)C1CC1	28528416	GFCPRIVUTJEJRV-INIZCTEOSA-N	246.350	3.699	0	1	BHAF	
CC(C)N(c1ccc(O)cc1)c1ccc(O)cc1	40424176	WHRQTPJCXRIONJ-UHFFFAOYSA-N	243.306	3.644	0	1	BHAF	
CC[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1	43015105	FUDQLRPZZUAHBX-ZDUSSCGKSA-N	242.318	3.834	0	1	BHAF	
Cc1ccnc2c1CCC/C2=C/c1ccncc1	100017189	XPVRACRNFCDHKF-KAMYIIQDSA-N	236.318	3.662	0	1	BHAF	
CC(C)=CC[C@@H](O)C(C)=CCCc1ccoc1	2356570852	YDZSKSNVPYIKRS-OAHLLOKOSA-N	234.339	3.876	0	1	BHAF	
CCCCCc1cc(O)ccc1Br	2356789423	DGWZSEQFUYDOGV-UHFFFAOYSA-N	243.144	3.887	0	1	BHAF	
C[C]1C=CN(Cc2ccccc2C)C=C1C	2356830601	LGRRPDSEXZKUDS-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC=C(CO)[C@@H]2CC1	12153199	XDKFSOYELINRIA-KKUMJFAQSA-N	220.356	3.554	0	1	BHAF	biogenic
C[C@@H]1CCC2=C(C(C)(C)O)CC(C)(C)C[C@H]21	13379049	AXUFTLZFRGHJAV-PWSUYJOCSA-N	222.372	3.920	0	1	BHAF	biogenic
CCN1CCCCC12C1CC3CC(C1)CC2C3	26983841	VGSYBTZEVZRMRB-UHFFFAOYSA-N	233.399	3.687	0	1	BHAF	
CC1=C[C@]2(CCO)CCCC(C)(C)[C@@H]2CC1	34537590	QLBFVYZTMLPKQE-DZGCQCFKSA-N	222.372	3.922	0	1	BHAF	
CC1=C[C@@H]2[C@H](CCC(C)=CCC1)[C@]2(C)C(=O)O	2356645936	KEEBORUBZJYTIL-GUTXKFCHSA-N	234.339	3.790	0	1	BHAF	
C[C@@H]1C(=O)C[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@H]3C)C2(C)C	2356780898	GZWAUGUBRNNGII-JKIMBZHGSA-N	220.356	3.530	0	1	BHAF	
CCCCc1ccc(OC2=CCN(C)CC2)cc1	13651681	JLSGPRRGUFDGBZ-UHFFFAOYSA-N	245.366	3.627	0	1	BHAF	
Cc1c(-c2cccnc2)nc2cccc3c2c1CC3	587212317	NFMSUAOZCSBPRW-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
C[C@@H]1CCC=C2CC[C@@H](c3cc3=O)C[C@@]21C	2356413613	GKIKMPZURPYPCN-UEKVPHQBSA-N	216.324	3.553	0	1	BHAF	
Oc1ccc(-c2ccc3cc(O)ccc3c2)cc1	13644983	SKPPZWVFPOQPOT-UHFFFAOYSA-N	236.270	3.918	0	1	BHAF	in-vivo
Nc1ccc2cc(-c3ccsc3)ccc2n1	72179642	SKHMHSCEONTQTF-UHFFFAOYSA-N	226.304	3.546	0	1	BHAF	in-vitro
CC[C@@H](C)CCCCCCC(=O)c1cnc[nH]1	1911573133	BSAXEBBKIDPCSE-GFCCVEGCSA-N	236.359	3.979	0	1	BHAF	
C[C@@H]1CC[C@@]23[C@@H](O)C(C)(C)C[C@@]2(C)CC[C@H]13	13382802	LRIBGOUPVPELII-GGUBGCTKSA-N	222.372	3.610	0	1	BHAF	biogenic
CC1=CC[C@]2(C)C(=C(C)[C@@H](O)C[C@@H]2C)CC1	14649722	PYNBPBFJIFSMEA-CQDKDKBSSA-N	220.356	3.840	0	1	BHAF	biogenic
C=C1CC[C@H](O)[C@@]2(C)CC[C@H](C(C)C)C=C12	15206968	SKTNVTDTHGDEEV-QEJZJMRPSA-N	220.356	3.696	0	1	BHAF	biogenic
FC(F)(F)c1ccc2c(c1)[nH]c1cnccc12	72109213	UEQGBTJIWXDXDG-UHFFFAOYSA-N	236.196	3.735	0	1	BHAF	
C[C@H]1CC[C@@]2(C)C(C)(C)[C@@H]3CC[C@@]2(O)[C@H]1C3	238762347	YHYHTHCGKWIVMS-CUZKYEQNSA-N	222.372	3.610	0	1	BHAF	
C/C1=C\CC(C)(C)/C=C/C(=O)N/C(C)=C/CC1	473172623	YMIPTTDIJCZDAB-SKTNYSRSSA-N	233.355	3.719	0	1	BHAF	
Clc1ccc2nc(C3=CCCC3)[nH]c2c1	586883903	MSNIHDZJCZBLBP-UHFFFAOYSA-N	218.687	3.784	0	1	BHAF	
C=C[C@]1(C)CC[C@H]([C@H](C)C(=O)c2cc(C)co2)O1	13456428	DJFSWRNRUGTHCI-YWPYICTPSA-N	248.322	3.531	0	1	BHAF	biogenic
COc1ccc(CNCC(F)=C2CCCC2)cc1	13611574	TYBWNROZZAEQPD-UHFFFAOYSA-N	249.329	3.582	0	1	BHAF	
CC(C)=C[C@H]1[C@H](C)CC[C@@H]2[C@H](C)CC[C@@]12O	14635817	QGALFKRHZSPTEG-ZSAUSMIDSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
c1ccc([C@]2(N3CCCCC3)C[C@@H]3C[C@@H]3C2)cc1	100643077	IQHBDLUJVLOBJA-SCAQPMJSSA-N	241.378	3.798	0	1	BHAF	
Clc1cccc(C2=NOCc3ccccc32)c1	103187208	VUIQAPFIHDGALE-UHFFFAOYSA-N	243.693	3.623	0	1	BHAF	
CC1(C)C[C@@H](c2ccoc2)c2ccc(O)cc2O1	169327617	UEUDQDLOIUYWAQ-ZDUSSCGKSA-N	244.290	3.678	0	1	BHAF	
CC1=C[C@H]2c3cc(O)ccc3OC(C)(C)[C@@H]2C=C1	2356624781	OXTPGPPCBJDVHZ-GXTWGEPZSA-N	242.318	3.779	0	1	BHAF	
Cc1ccc([C@@H](C)CC[C@H](O)C(C)C)cc1	2356857213	SHFNOANMFOCKGN-ZFWWWQNUSA-N	220.356	3.896	0	1	BHAF	
Oc1c(-c2ccc(F)cc2)[nH]c2cc(F)ccc12	587634642	NOZZDNURCQNEFY-UHFFFAOYSA-N	245.228	3.819	0	1	BHAF	
C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@@H]2C1=CCC(=O)O	2356427109	ORLOYGDCENCRMS-CZXHOFHRSA-N	234.339	3.646	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C[C@@H](O)[C@@H]2C(C)C)CC1	13381133	VAVHKURKIQXFJX-RBSFLKMASA-N	220.356	3.696	0	1	BHAF	biogenic
CC1=CC[C@@H]2[C@@H](C1)C(=C(C)C)CC[C@]2(C)N	82047519	VLGSOUCSNXCRMI-ZNMIVQPWSA-N	219.372	3.807	0	1	BHAF	
C/C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	238755690	ZUVAGNOBOHVXJJ-AJXDGQIOSA-N	236.355	3.711	0	1	BHAF	
CC(C)C1=CC[C@H](C)[C@H](O)C=C[C@@H](C)CC1	2356329356	BSRRJWBQIJEMIW-KCQAQPDRSA-N	222.372	3.942	0	1	BHAF	
C[C@@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@@H]1C=CC(=O)O	2356620420	RUEMHNNYLHGNMT-DHGKCCLASA-N	234.339	3.502	0	1	BHAF	
Clc1ccccc1-c1cccc2nccn12	61928542	RHXZYMCWRFVHEB-UHFFFAOYSA-N	228.682	3.655	0	3	BHAF	
CC1=CC[C@]2(C)C(=C(C)[C@H](O)C[C@@H]2C)CC1	14649718	PYNBPBFJIFSMEA-GLQYFDAESA-N	220.356	3.840	0	1	BHAF	biogenic
CC(=O)CC[C@H]1[C@H](c2cocc2C)C1(C)C	15120121	YZGADWCWZVPJOQ-STQMWFEESA-N	220.312	3.697	0	1	BHAF	biogenic
C[C@H]1C(=CCO)CC[C@@]2(C)[C@H](C)CC[C@]12C	2356510247	RMIRDGFNJKHARM-PAPYEOQZSA-N	222.372	3.778	0	1	BHAF	
CC1(C)[C@@H]2Cc3c(nc4cccc5c4c3CC5)[C@H]21	587215264	KLODVKRAYXHGBO-DOMZBBRYSA-N	235.330	3.629	0	1	BHAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@]3(C)O[C@@H](C1)[C@@H]23	2356705755	CJPKEQVKLSZFCR-ZQNQSHIBSA-N	220.356	3.792	0	1	BHAF	
CCCCC[C@H](O)CC(=O)CCc1ccccc1	73197511	KSQWYVJTNHTCLR-HNNXBMFYSA-N	248.366	3.520	0	1	BHAF	
Clc1cccc(-c2cc3n(n2)CCCC3)c1	96911192	JKSOAGSQJOHXTG-UHFFFAOYSA-N	232.714	3.540	0	1	BHAF	
Cc1cc(-c2cc3c4c(cccc4n2)CC3)ccn1	587212018	KFWKXZBIOSXZID-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(=CCC(=O)O)[C@H](C)C=C[C@H]2C1	2356427110	ORLOYGDCENCRMS-NMKXLXIOSA-N	234.339	3.646	0	1	BHAF	
CC(C)=CC[C@H]1Oc2cc(C)c(O)cc2[C@H]1C	2356794070	HSNGQEFVJJBZCD-BXUZGUMPSA-N	232.323	3.921	0	1	BHAF	
CC1=C(Cl)C=C[P@](=O)(OC(C)C)C1	5757431	QFSZGOPFUCXBAQ-ZDUSSCGKSA-N	220.636	3.730	0	1	BHAF	
C(=C/CCc1c[nH]cn1)\CCc1ccccc1	26148959	KJGSXPJJDUQEMA-OWOJBTEDSA-N	226.323	3.531	0	1	BHAF	
Cc1ccc(C2=Cc3c(C)cc(C)n3C2=O)cc1	653730194	HXKLDQKRIXNUGC-UHFFFAOYSA-N	237.302	3.608	0	1	BHAF	
CCC[C@H]1CCC[C@]2(CCC[C@@H](C)O2)O1	14593103	QXUAOIHBLJZVTQ-AGIUHOORSA-N	212.333	3.641	0	1	BHAF	
C[C@@H]1CC=C2C[C@H](CO)C(C)(C)[C@]2(C)[C@@H]1C	2356565682	IEYRHRAWZNLSQL-NLRBGTRBSA-N	222.372	3.633	0	1	BHAF	
CC1=C2CC[C@@](C)(O)[C@@H]2[C@@H]2[C@H](CC1)C2(C)C	13372972	FPRYGNYXOFHMLF-PWNZVWSESA-N	220.356	3.530	0	1	BHAF	in-man
CC(C)=C1C=C2[C@H](C)CCC[C@]2(CO)CC1	15207192	FEQIVKLOJASWGY-IUODEOHRSA-N	220.356	3.842	0	1	BHAF	biogenic
CN1[C@H]2CCc3ccccc3[C@@]1(C)c1ccccc12	100649199	GDTARIWTSCFMEK-ROUUACIJSA-N	249.357	3.883	0	1	BHAF	
CC1=C[C@@H]2[C@H]3C(=O)[C@@H]1[C@@]3(C)CCCC2(C)C	100780727	KKQDNHZABGRCAS-MCYUEQNJSA-N	218.340	3.594	0	1	BHAF	endogenous,in-man
CC1=C2C[C@H](C=CC(=O)O)CC[C@]2(C)CCC1	2356670799	CFUISBDJXHZKJK-DOMZBBRYSA-N	234.339	3.934	0	1	BHAF	
COc1cc2c(cc1C)[C@](O)(C(C)C)CC[C@@H]2C	13381436	HGNDGYPWLHDLPF-MEDUHNTESA-N	248.366	3.745	0	1	BHAF	biogenic
C[C@H]1CC=C2[C@H](C)CC[C@@H](c3ccoc3)N2C1	14962685	WIEVDGMEBFVRDD-ZOWXZIJZSA-N	231.339	3.976	0	1	BHAF	biogenic,in-vitro
CC1=CC[C@H](O)[C@@]2(C)CC[C@H](C(C)C)C=C12	15206783	WTUMCHHLAJTPSA-QEJZJMRPSA-N	220.356	3.696	0	1	BHAF	biogenic
CC(C)=CCC[C@](C)(NC=O)[C@H]1CC=C(C)CC1	138831577	IDWULDRBNICSKT-HOTGVXAUSA-N	249.398	3.984	0	1	BHAF	
c1ccc([C@H]2[C@@H]3CCc4ccccc4[C@@H]23)nc1	195018781	JHBQXWSFWPQARO-FVQBIDKESA-N	221.303	3.525	0	1	BHAF	
Cc1c(N)c(C)c2c(c1CC(C)C)OC(C)(C)C2	13652075	UCKYDXQCHMSNQH-UHFFFAOYSA-N	247.382	3.798	0	1	BHAF	
C[C@@H]1CC[C@@H]2[C@@H]3[C@@](C)(CC[C@@]13O)CC2(C)C	14679234	ABEFZRUFMKMACI-MYYUVRNCSA-N	222.372	3.610	0	1	BHAF	biogenic
CC1=CC[C@]23O[C@H]1[C@@H]2C(C)(C)CCC[C@@H]3C	34504565	ZKLMKYSMZGGNSI-KYEXWDHISA-N	220.356	3.936	0	1	BHAF	
CC1=C[C@H]2C(=C(C)C)CC[C@H](C)[C@H]2C(=O)C1	238750543	ABZDLUFXOKZOMD-CORIIIEPSA-N	218.340	3.904	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1N1CCCCC1	255987095	MCTQQMIDKUSYRQ-UHFFFAOYSA-N	232.302	3.606	0	1	BHAF	
Cc1cc(Cl)n(C)c2nc3ccccc3c1-2	6070173	ICWNRDMFSWIEDB-UHFFFAOYSA-N	230.698	3.640	0	1	BHAF	
COCCc1c(C)c(O)c2c(c1C)CC(C)=C2C	15258229	KUSWEDVSRWCEGE-UHFFFAOYSA-N	246.350	3.547	0	1	BHAF	biogenic
C/C=C/c1nc2cc(OC)ccc2n2cccc12	28642672	DMNNZOUUXQPPTH-HWKANZROSA-N	238.290	3.529	0	1	BHAF	
CCCC[C@@H](CC)c1cc(C)cc(=O)o1	103203546	VMHGAIDIOHDNRR-LLVKDONJSA-N	208.301	3.632	0	1	BHAF	
CC(C)[C@@H]1CC(C)(C)[C@H](O)C2=C1CC[C@H]2C	140217001	YAYULTVMGYOHHF-SCDSUCTJSA-N	222.372	3.776	0	1	BHAF	
CC(C)[C@]1(O)CC[C@@]2(C)CC=C[C@@H](C)[C@@H]2C1	2356347899	QTYOCPHBJLCFIG-BARDWOONSA-N	222.372	3.776	0	1	BHAF	
CC(=CCCC(C)C)c1ccc(O)cc1C(=O)O	2356723808	UKFCDHHDNCDVTF-UHFFFAOYSA-N	248.322	3.930	0	1	BHAF	
CC(C)=C1CC[C@@H](C)[C@@]12CC=C(CO)CC2	13307434	BQHRDXJFXULIGH-DOMZBBRYSA-N	220.356	3.842	0	1	BHAF	biogenic
O/C(=C\c1ccc2ccccc2n1)c1ccncc1	102653152	CNGHOAARTMGHEY-WJDWOHSUSA-N	248.285	3.686	0	1	BHAF	
Fc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1	169325477	RBPWFYGIACPYRA-UHFFFAOYSA-N	246.216	3.633	0	1	BHAF	
CCCCCC[C@H](C)OC(=O)CC(C)C	238741005	LAQMTKSYYIICGG-LBPRGKRZSA-N	214.349	3.935	0	1	BHAF	
C/C=C\c1nc2cccc3c2c(c1C)CC3	587214335	RXUKKWMBKGIXHQ-HYXAFXHYSA-N	209.292	3.675	0	1	BHAF	
Cc1coc2c(O)c3c(c(C=O)c12)[C@@H](C)CCC3	13300426	DPPNXGXKFMEGBU-QMMMGPOBSA-N	244.290	3.699	0	1	BHAF	biogenic
CC=Cc1ccc2c(c1)[C@H](C)C(C)(C)O2	13361113	YXEPEHFXXORWGP-JTQLQIEISA-N	202.297	3.994	0	1	BHAF	biogenic
[O-][n+]1ccc(/C=C/c2cccc3ccccc23)cc1	27903798	VXMSGLUONIVAFU-CMDGGOBGSA-N	247.297	3.644	0	1	BHAF	
CC1(C)C[C@H]2[C@@H](C1)[C@]1(C)CCC[C@@]2(C)[C@@H]1O	261497140	MJYUBUQHKCAJQR-LYOXDTQASA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
C/C1=C\CCC(=O)[C@@H]2CC(C)(C)[C@H]2CC1	3171718	MBZBBVTYLUNZPJ-SRXIBPRUSA-N	206.329	3.738	0	1	BHAF	in-vitro
CC[C@@]1(C)C[C@H]1c1nc2cc(OC)c(C)cc2[nH]1	586889712	MQJMHZQHCZVJRL-BONVTDFDSA-N	244.338	3.784	0	1	BHAF	
Cc1c(Cl)ccc2nc(C(C)(C)Cl)[nH]c12	587008143	IFRKTMVXTPZZFD-UHFFFAOYSA-N	243.137	3.999	0	1	BHAF	
CC1=CC2=C(C)C(=O)OC2=C[C@@]12CCC[C@H]2C	14713692	KUNRAMULIXAXIK-RFAUZJTJSA-N	230.307	3.510	0	1	BHAF	biogenic
C=C1CCC[C@]2(C)CC[C@H]([C@@H](C)C(=O)O)C[C@@H]12	15206745	QXRKIZKJLNNMNC-UKTARXLSSA-N	236.355	3.870	0	1	BHAF	biogenic
C/C=C/COc1ccc(/C=C/C)cc1OC	35066331	KRELTNOHJICPFJ-YDFGWWAZSA-N	218.296	3.683	0	1	BHAF	
CNC[C@@H]1CC2c3ccccc3C1c1ccccc12	3950333	SBROCGLNCOMPMN-KAMYHZANSA-N	249.357	3.503	0	1	BHAF	
CC1=C[C@H]2[C@@H](C(C)C)CC[C@@H](C)[C@@]2(O)CC1	12153512	COGPRPSWSKLKTF-KBXIAJHMSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
CCCC[C@@H](C)CCC[C@@H](C)C(=O)O	15119677	KATHYIVCSSJTDJ-GHMZBOCLSA-N	200.322	3.704	0	1	BHAF	biogenic
CC1=C2C=C(C(C)C)CC[C@@](C)(O)[C@H]2CC1	15264379	NIUNALSTZWFRAY-LSDHHAIUSA-N	220.356	3.840	0	1	BHAF	biogenic
Nc1ccc2cc(-c3ccccc3F)ccc2n1	84618177	WLRRZYUYUADNSQ-UHFFFAOYSA-N	238.265	3.623	0	1	BHAF	
COC(=O)C(C)=CCC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356400540	CAMIEFGQPJUXLQ-AERHNPLPSA-N	248.366	3.568	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C[C@@H](O)[C@H]2C(C)C)CC1	13381131	VAVHKURKIQXFJX-KFWWJZLASA-N	220.356	3.696	0	1	BHAF	biogenic
CCN1CCCC[C@@H]1[C@H](C)c1ccccc1	28645419	NLXMVFLZBJPVAD-UKRRQHHQSA-N	217.356	3.665	0	1	BHAF	
c1c[nH]c(SCCc2c[nH]c3ccccc23)c1	72108786	AIAWOYMIYLQRCW-UHFFFAOYSA-N	242.347	3.831	0	1	BHAF	
Oc1cc(O)c2c(-c3ccc(F)cc3)coc2c1	116979397	MQPAHNZJLRTXIO-UHFFFAOYSA-N	244.221	3.650	0	1	BHAF	
C/C(=C\c1nc2cnccc2[nH]1)C1CCCCC1	587967907	NOKLOOQZBWXWQG-PKNBQFBNSA-N	241.338	3.942	0	1	BHAF	
CC1=CC=C[CH]N1Cc1cccc(Cl)c1	2356820232	WDCTZYPSXVSIAJ-UHFFFAOYSA-N	218.707	3.777	0	1	BHAF	
Cc1cc2ncc(Nc3ccccc3)nc2cc1C	13538764	BSRAKZVKBHOFAV-UHFFFAOYSA-N	249.317	3.990	0	1	BHAF	
CC(C)CCCCCCCCC[C@@H](O)C(=O)O	196305752	VSMDZNFAJBTFGR-CYBMUJFWSA-N	244.375	3.599	0	1	BHAF	
CC(C)=CCC[C@]1(C)[C@@H]2CC[C@@H](C2)[C@]1(C)O	238767499	BMYYECWIIFVCQD-BARDWOONSA-N	222.372	3.920	0	1	BHAF	
CCC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587527881	XJHMWVOJHFQRKZ-LBPRGKRZSA-N	244.334	3.699	0	1	BHAF	
CC1(C)CCC[C@H]1C1=CC=C(C(=O)O)CC1	2356448693	MDSJNXFLUFOANP-LBPRGKRZSA-N	220.312	3.544	0	1	BHAF	
Cc1ccc(C(C)C)c2c1C(=O)C[C@H](C)C2=O	13381394	LZPYEVYKNPKODL-JTQLQIEISA-N	230.307	3.524	0	1	BHAF	biogenic
CC1(C)C[C@H]2C[C@]3(C)C[C@H](O)C[C@@]2(C)C[C@H]13	238767365	DJPVBAJAVYHVQP-SIJPQNPESA-N	222.372	3.610	0	1	BHAF	
CC(C)(C)C1=CSC2=N[C@@H]3CCCC[C@H]3N12	40738068	JHGPUVYVPAWRDX-NXEZZACHSA-N	236.384	3.604	0	1	BHAF	
C/C=C(\C)[C@H]1CC(=O)c2cc(Cl)ccc2O1	40835753	WNLKLQTXTCBZQM-ZHAHRWAOSA-N	236.698	3.640	0	1	BHAF	
c1cc(-c2ccncc2)nc(-c2cccs2)c1	40863771	QVQPTGBPBCSCQE-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
Oc1ccc2nc(-c3ccc([18F])cc3)sc2c1	101663760	AMGGIBWEIGCKRZ-UMSOTBISSA-N	244.281	3.808	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]41)CC2	587215251	KGTRMPPMBAETQE-GREKMHCPSA-N	247.341	3.944	0	1	BHAF	
c1ccc(-c2cncnc2-c2cccs2)cc1	653909278	WALQCXUVRWTURV-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
CC1=C2CC[C@H](C)[C@H]2CC(C)(C)C[C@@H](O)C1	2356340472	PXKJCWZAMAFFIW-VHRBIJSZSA-N	222.372	3.920	0	1	BHAF	
c1ccc([C@H]2CN3CC[C@H]3c3ccccc32)cc1	3777206	ZPPKVPYQLWTSIK-SJORKVTESA-N	235.330	3.579	0	1	BHAF	
Cc1ccc2[nH]c(-c3ccccc3N)cc2c1	45230762	XTQAAFXFCWLZKX-UHFFFAOYSA-N	222.291	3.726	0	1	BHAF	
Cc1cc([C@H]2CC=CCN(C)C2)ccc1Cl	95583549	MMBDWDAKDCKUAX-ZDUSSCGKSA-N	235.758	3.624	0	1	BHAF	
CCCC1(c2nc3c(C)nc(C)cc3[nH]2)CCC1	586877652	JCTMKJIHZFUAFC-UHFFFAOYSA-N	243.354	3.797	0	1	BHAF	
CC1=C[C@H]2C(=C(C(=O)O)CC[C@H]2C(C)C)CC1	13381118	FUXWMRTVDHMJSZ-SMDDNHRTSA-N	234.339	3.790	0	1	BHAF	biogenic
Cc1cc(-n2ccc3ccncc32)ccc1Cl	73294261	OBZDWSGYKGSBFR-UHFFFAOYSA-N	242.709	3.987	0	1	BHAF	
CC(C)C1=C[C@]2(CC[C@](C)(NC=O)C2)[C@@H](C)CC1	238773141	NLOXORYANZABDO-BPUTZDHNSA-N	249.398	3.674	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1N1CCC[C@@H](C)C1	587636805	JKGRKYQDTBOFLC-SNVBAGLBSA-N	246.329	3.852	0	1	BHAF	
CC(C)c1ccc2cc(C(=O)O)[nH]c2c1Cl	1772657748	FQOGPNKAGWBNAW-UHFFFAOYSA-N	237.686	3.643	0	1	BHAF	
CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@@H](C)C[C@@H]12	2356501651	IZVJDVQPCGYZOX-BEAPCOKYSA-N	222.372	3.920	0	1	BHAF	
CC[C@H](CCn1cncn1)c1ccc(Cl)cc1	103214235	FGAHRGKCLCDNNS-LLVKDONJSA-N	249.745	3.515	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3[C@H]1[C@@]2(C)C=C[C@]3(C)O	2356662005	YETXRPZLDDRIAG-DERJNBNXSA-N	234.383	3.632	0	1	BHAF	
Cc1ccc([C@H](C)CC[C@H](O)C(C)C)cc1	2356857211	SHFNOANMFOCKGN-HIFRSBDPSA-N	220.356	3.896	0	1	BHAF	
Clc1cccc2nc(C3=CCCC3)[nH]c12	586883075	GLCLGMPCANGYIQ-UHFFFAOYSA-N	218.687	3.784	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(Cl)cnc2[nH]1	586888358	IRKLQPWUWVEZRY-PELKAZGASA-N	235.718	3.515	0	1	BHAF	
C[C]1C=CN(Cc2cccc(C)c2)C=C1C	2356864898	CXDLRRXGERUUSV-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CC[C@H](C)CCCCC[C@H]1CCC(=O)O1	13463062	PVESYPDFVMTIBG-RYUDHWBXSA-N	212.333	3.689	0	1	BHAF	biogenic
C(=C1\CCCc2ccccc21)\c1cccnc1	13610765	GCIGECZMYPPCHH-RVDMUPIBSA-N	221.303	3.959	0	1	BHAF	
CC1=CC=C[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	15206766	AMZWKSYAMHGGSR-VNHYZAJKSA-N	220.356	3.696	0	1	BHAF	biogenic
Clc1ccc([C@H]2NN=C3CCCC[C@@H]32)cc1	42988612	WMORHWXOUHZOQJ-WCQYABFASA-N	234.730	3.531	0	1	BHAF	
Cc1coc2cc(-c3ccc(F)cc3)oc(=O)c12	45393266	RMSXDKJWCJNBHM-UHFFFAOYSA-N	244.221	3.501	0	1	BHAF	
COc1ccccc1/C=C(/S)c1ccccn1	103948476	NIVQPIBFMQTMGS-GXDHUFHOSA-N	243.331	3.518	0	1	BHAF	
CC/C=C(/c1ccccc1)c1cccnc1	472780792	UVFAVZLAJTUFCE-CHHVJCJISA-N	209.292	3.923	0	1	BHAF	
CC(C)c1cnc(-c2cc3sccc3n2C)[nH]1	1911584742	MWEBYIIAXUJMKP-UHFFFAOYSA-N	245.351	3.753	0	1	BHAF	
CC(=O)OCC1=CCCC=C[C@H]2[C@@H](CC1)C2(C)C	2356521134	LGSRJZINARWBIM-LSDHHAIUSA-N	248.366	3.878	0	1	BHAF	
C1=C(c2nc3ccc4ncccc4c3[nH]2)CCC1	586882967	DMTDYIISSUIFQM-UHFFFAOYSA-N	235.290	3.678	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)C[C@H]1CC[C@H]4C1)CC2	587215791	VALMBQICVFUICF-JQWIXIFHSA-N	235.330	3.773	0	1	BHAF	
Cc1ccnc2c1CCN[C@]2(C)CCCC(C)C	963068423	KWUSRZXNJZVBSR-MRXNPFEDSA-N	246.398	3.577	0	1	BHAF	
Cc1ccc(Nc2nc(C)c(O)c(C)c2C)cc1	1772581318	AFHCPONFOROSOB-UHFFFAOYSA-N	242.322	3.764	0	1	BHAF	
O=C(Nc1ccccc1)[C@H]1[C@@H]2C=CCCCC[C@@H]21	451549	QAUWUDWLPNVUBH-ILXRZTDVSA-N	241.334	3.618	0	1	BHAF	
CC1(C)C[C@@H]2C[C@@]3(C)CC[C@@](C)([C@@H]2C1)[C@@H]3O	13385030	DLYIWDZWJJHEJS-FWZIUSJTSA-N	222.372	3.610	0	1	BHAF	biogenic
Cc1ccc([C@H](C)C(=O)O)cc2c(C)ccc1-2	13385393	VEHBLYQIKWPOQM-NSHDSACASA-N	228.291	3.596	0	1	BHAF	biogenic
CCCCCCc1ccc(C2=NCCCO2)cc1	1772624915	FIWSJONSEJVMEV-UHFFFAOYSA-N	245.366	3.976	0	1	BHAF	
CC1=CC[C@@H]2[C@@H]3C[C@H]1[C@@]2(C)[C@@H](O)C[C@@H]3C(C)C	1857743778	STGDIGPHLKTVET-JQOWZUPLSA-N	234.383	3.632	0	1	BHAF	
CC1=C[C@H]2C(=C(C)C)[C@@H]3C[C@H](C)[C@H]2[C@H](C1)O3	238766089	HWBVMESCZGIWFV-MJDBTJCESA-N	218.340	3.712	0	1	BHAF	
CC(C)=C[C@H]1C[C@@H](C)c2cc(O)c(C)cc2O1	238776905	LWGKZBSDGZFFFY-PWSUYJOCSA-N	232.323	3.921	0	1	BHAF	
Cc1[nH]c2c(C)cc(Cl)cc2c1N=O	587623957	AXIFKTGWIWAIFV-UHFFFAOYSA-N	208.648	3.836	0	1	BHAF	
Cc1coc2c1[C@@H]1CC(=O)[C@@H]3CCC[C@@H](C2)[C@]31C	2356557316	JQJNCXMUXHAAPZ-CENBSLRLSA-N	244.334	3.623	0	1	BHAF	
CC[C@H]1C(c2ccccc2)=CC[C@H](C(=O)O)[C@H]1C	11680156	CLMFEXDZPBGYQQ-YUTCNCBUSA-N	244.334	3.837	0	1	BHAF	
CC(C)=CCC/C(C)=C/C=C/C(=O)NC(C)C	40379327	BWDANRBHXHCHJA-MYUCQOFCSA-N	235.371	3.760	0	1	BHAF	
Clc1ccc([C@H]2CC=CCNC2)cc1Cl	95581459	PMLBVCPRUZMORG-JTQLQIEISA-N	242.149	3.627	0	1	BHAF	
CC[C@H](C)c1cc2c3c(cccc3n1)CC2	587213528	IWXLYDHSPXUCNY-JTQLQIEISA-N	211.308	3.847	0	1	BHAF	
CCC(C)(C)C(=O)N(C)C(C)(C)c1ccccc1	1772657497	PCJBCTZJNTZQBF-UHFFFAOYSA-N	247.382	3.816	0	1	BHAF	
CC1=C[C@]2(C(=O)C(C)C)CC[C@@H](C)[C@@H]2CC1	14516904	NUTDFMLLZCEHML-VNHYZAJKSA-N	220.356	3.984	0	1	BHAF	biogenic
CC[C@@H](C)CCCCC[C@@H](C)C(=O)O	15119681	IDEAYCCGKZRXTP-GHMZBOCLSA-N	200.322	3.704	0	1	BHAF	biogenic
CC(C)(Cc1ccccc1)c1cccnc1	29556563	MSUUKPGKCBHOAJ-UHFFFAOYSA-N	211.308	3.602	0	1	BHAF	in-vivo
CC(C)C1=C[C@H]2[C@@](C)(O)CCC[C@]2(C)CC1	138193846	PBGYWCDUYHJYFV-KFWWJZLASA-N	222.372	3.920	0	1	BHAF	
Cc1cccc2c3c(ccc1-3)C(=O)OC2(C)C	231442038	VPBRHVORGABESF-UHFFFAOYSA-N	226.275	3.505	0	1	BHAF	
C[C@H]1CC[C@@H](c2ccoc2)N2C[C@H](C)CC=C12	14962674	WIEVDGMEBFVRDD-XUJVJEKNSA-N	231.339	3.976	0	1	BHAF	biogenic
CC1=CC[C@@H](CC[C@@H](C)[C@H](C)O)C1(C)C	31350804	NGYMOTOXXHCHOC-KGYLQXTDSA-N	210.361	3.776	0	1	BHAF	
CC1(C)CCCC2=C[C@@H](CO)C(C)(C)[C@@]21C	2356495851	HPLQGFVYWQGCAW-WFASDCNBSA-N	222.372	3.778	0	1	BHAF	
CCCCCC[C@@H](C)OC(=O)CC(C)C	2356586698	LAQMTKSYYIICGG-GFCCVEGCSA-N	214.349	3.935	0	1	BHAF	
Cc1cc2occ(C)c2c2c1CC[C@H](C)C2=O	13412788	YBJIFGYQRRWWFW-QMMMGPOBSA-N	228.291	3.815	0	1	BHAF	endogenous,in-man
CCC[C@@H](C)C[C@@H](C)Cc1coc(=O)c(C)c1	15119968	MXIKDHHQNDZAAJ-VXGBXAGGSA-N	236.355	3.953	0	1	BHAF	biogenic
FC(F)(F)P1[C@H]2C=C[C@@H](CC2)C1(F)F	102949931	HLSBOFLVTDNIAT-PNICADRNSA-N	230.116	3.929	0	1	BHAF	
C=Cc1ccc(-c2nc3ccccc3[nH]2)cc1	140188737	KKBJDZHPBGUWIY-UHFFFAOYSA-N	220.275	3.873	0	1	BHAF	
CC1=C[C@@H]2CC(C)(C)[C@H]1C[C@@H](O)c1ccoc12	299855004	AURHAUOFBQPZMC-KGYLQXTDSA-N	232.323	3.793	0	1	BHAF	
c1ccc2[nH]c(-c3ccoc3C3CC3)nc2c1	586902063	UJXYNAARNLGAMP-UHFFFAOYSA-N	224.263	3.700	0	1	BHAF	
CN1CCS[C@H](c2ccc3ccccc3c2)C1	1857620688	JQPWZAKCINSUDC-HNNXBMFYSA-N	243.375	3.560	0	1	BHAF	
C[C@@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@@H]2/C=C/C(=O)O)C1	84724050	RUEMHNNYLHGNMT-HAGPYYNFSA-N	234.339	3.502	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2cccc(F)c2[nH]1	586887166	FGIFJJIWMLNSCF-OQPBUACISA-N	218.275	3.606	0	1	BHAF	
Cc1ccc2c(c1)O[C@]1(C)CCCC[C@@H]21	2356284373	YROXLKZGAZSYJV-GXTWGEPZSA-N	202.297	3.804	0	1	BHAF	
C(=C\c1nc2ccccc2[nH]1)\c1ccsc1	203552438	ZPSNUZNQWKYXNA-WAYWQWQTSA-N	226.304	3.795	0	1	BHAF	
CC(C)[C@H]1CC[C@]2(C)[C@@H]3C[C@H]4[C@@H]([C@H]13)[C@]42C	238785692	XBWACJDEQIZTPR-JZZPARLMSA-N	204.357	3.961	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2cccc(F)c2[nH]1	587968236	WYZWFXHHPIUUHM-NXEZZACHSA-N	230.286	3.772	0	1	BHAF	
CCn1ncc2c1-c1c(C)sc(C)c1CCC2	13537773	LURXFPUMIMOPTF-UHFFFAOYSA-N	246.379	3.737	0	1	BHAF	
CS[C@H]1C[C@H]2[C@@H](C[C@@]1(C)SC)C2(C)C	17217069	GHHXTHWFXOUDSH-MIZYBKAJSA-N	230.442	3.906	0	1	BHAF	
CC1(C)CC[C@@](C)([C@@]23CC[C@](C)(O)[C@@H]2C3)C1	238757122	ICNMPYNAXDDQCA-PMOUVXMZSA-N	222.372	3.754	0	1	BHAF	
CC1=CC[C@H]2C[C@H]1[C@@]2(C)CC/C=C(/C)C(=O)O	535384625	CTORLPNPQPAKGI-BFYXVQBQSA-N	234.339	3.790	0	1	BHAF	in-vitro
CCC=CCCCc1cc(=O)c2ccccc2[nH]1	2356629696	NNRQRIKGBJBXDO-UHFFFAOYSA-N	241.334	3.817	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@](C)(O)[C@@H]2CC1	3978565	LHYHMMRYTDARSZ-BYNSBNAKSA-N	222.372	3.776	0	3	BHAF	endogenous,in-man
CCC(=O)c1ccc(OCC=C(C)C)c(OC)c1	15113282	OMEVUOYZZCXROJ-UHFFFAOYSA-N	248.322	3.633	0	1	BHAF	biogenic
C(=C\CCc1c[nH]cn1)\CCc1ccccc1	89456297	KJGSXPJJDUQEMA-UPHRSURJSA-N	226.323	3.531	0	1	BHAF	
C[C@H]1CC=C(C(=O)O)[C@](C)(c2cccc(F)c2)C1	142529457	PLWOVYSVIAFRFA-BONVTDFDSA-N	248.297	3.524	0	1	BHAF	
Cc1nc(-c2ccccc2)sc1[C@H](C)N=O	169688499	XYIISRHUJGCIOS-VIFPVBQESA-N	232.308	3.946	0	1	BHAF	
Cc1nc2ccccc2cc1N1CCC[C@H]1C	299855632	BCDJEXFSMTVVDB-LLVKDONJSA-N	226.323	3.532	0	1	BHAF	
CN(C)[C@H]1CC[C@@H](c2c[nH]c3c(F)cccc23)C1	38919176	IZSJBPYSEIJUIT-MNOVXSKESA-N	246.329	3.505	0	1	BHAF	
CC(C)N[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@@H]1C2	101334446	OJYLNXVPGPJQFN-UNEWFSDZSA-N	241.378	3.867	0	1	BHAF	
COC(=O)[C@@]1(C)CCC[C@]2(C)[C@H]3C(C)=CC[C@@H]2[C@H]31	238740878	GQYHCMVIRLJKJY-WALBABNVSA-N	248.366	3.568	0	1	BHAF	
C[C]1C=C(C)C=CN1Cc1cccc(C)c1	2356850751	XQCSHYKPDWOMNV-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
Cc1ccc2c(c1)CC[C@H]1CC(=O)CC[C@@]21C	8681329	JZECOIINDLDHBV-XJKSGUPXSA-N	228.335	3.568	0	1	BHAF	biogenic
CC1(C)CCC[C@@]1(C)c1cc(C=O)ccc1O	13327095	SCCIHFJBMVJTLP-HNNXBMFYSA-N	232.323	3.673	0	1	BHAF	biogenic
CC(C)C1=C2CC[C@H](C)[C@H]2CC(C)(C)[C@@H]1O	14860667	PFXZOGZHLWZMDT-ZKYQVNSYSA-N	222.372	3.776	0	1	BHAF	biogenic
CC1(C)C[C@]2(C)C[C@H]1C[C@@]2(O)c1ccccc1	15999263	KQZKZBLFKVGKCX-CWRNSKLLSA-N	230.351	3.720	0	1	BHAF	
c1ccc(-c2nc3cc4ncccc4cc3[nH]2)cc1	82158034	FEIVWJZGTQSUEU-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
COCCc1c(C)c(O)c2c(c1C)C=C(C)[C@@H]2C	95911680	VUZBAHPWSMFPFF-JTQLQIEISA-N	246.350	3.718	0	1	BHAF	biogenic,in-vitro
CC[C@H]1C[C@@]2(C)c3ccccc3C[C@@H]([C@H]2C)N1C	253634128	OWBORVXXMMDEAN-NQZOLGFYSA-N	243.394	3.619	0	1	BHAF	
Cc1ccc(-c2cc3c4c(cccc4n2)CC3)cn1	587213284	VAJLMGWBMJBDKG-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
CC1=CC2=C(CC(C)(C)C2)[C@H](C)CC[C@H]1O	2356797440	NXTJUHGOSJNXRS-QMTHXVAHSA-N	220.356	3.840	0	1	BHAF	
CC[C@@H](O)CN(c1ccccc1)c1ccccc1	6711232	YZZSIMVPPVUDRL-MRXNPFEDSA-N	241.334	3.596	0	1	BHAF	
C[C@H]1C/C=C/C(C)(C)CC(=O)[C@H](C)CCC1=O	136440540	MSVVNYKZJZHIJV-YRPDJFBCSA-N	236.355	3.553	0	1	BHAF	
CC(=O)O[C@H](CC=C(C)Cl)C(C)=CCl	2356397945	KMOWUHVWKJIQSZ-SNVBAGLBSA-N	237.126	3.593	0	1	BHAF	
C[C@H]1C=CC=C2Cc3occc3CC[C@@]21C	6037310	LSMXMJRDVCMVEX-XHDPSFHLSA-N	214.308	3.907	0	1	BHAF	biogenic
CC1=CC=C[C@@]2(C)Cc3occc3C[C@@H]12	70451218	LLXPXVCHMDEMQA-JSGCOSHPSA-N	200.281	3.517	0	1	BHAF	biogenic,in-vitro
CCCC/C=C/c1nc2ccc(Cl)nc2[nH]1	587966117	RZWPDFOTNGLVGE-AATRIKPKSA-N	235.718	3.815	0	1	BHAF	
c1ccc2c(-c3c[nH]c4cnccc34)ccnc2c1	1245394660	KQFQQKCOYREPGI-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
C[C@H]1CC[C@H]2C[C@H]3[C@@H]1[C@@H](C)CC[C@]3(O)C2(C)C	70455200	HKGFZBDJALFJBU-QUPHKUTMSA-N	236.399	3.856	0	1	BHAF	biogenic,in-vitro
Cc1ccc2nc(N3CCCCC3)cc(C)c2c1	70463101	KOJJTOXLLGEJFS-UHFFFAOYSA-N	240.350	3.842	0	1	BHAF	
Clc1ccc([C@@H]2CCCCNC2)cc1Cl	95583132	CWYBNSVSYKQGJB-SNVBAGLBSA-N	244.165	3.851	0	1	BHAF	
CCCCCC(=O)[C@@H]1C[C@@H]2C=C(C)[C@H]1C2	238760123	DODAHWXKYGJIBN-JHJVBQTASA-N	206.329	3.738	0	1	BHAF	
C[C@H](N)c1cccc(-c2cccc3[nH]ccc23)c1	1240712258	FBTJVDBDXFBYCD-NSHDSACASA-N	236.318	3.855	0	1	BHAF	
C1CN(CC2CC2)C2(C1)C1CC3CC(C1)CC2C3	3637386	QMOAJZCVNGQOMI-UHFFFAOYSA-N	245.410	3.687	0	1	BHAF	
COc1cc(/C=C\c2cccs2)cc(OC)c1	13553966	URRYDXXEGGXDQJ-WAYWQWQTSA-N	246.331	3.936	0	1	BHAF	
C/C(=C\CN(C)C)c1ccc2ccccc2c1	28642259	LWGMCORHSBTRFQ-JLHYYAGUSA-N	225.335	3.805	0	1	BHAF	
C[C@]12CC3C[C@]1(C)CC3(CN1CCCCC1)C2	101679943	KZZDJTYNRLSNPQ-LVDPKSTMSA-N	233.399	3.689	0	1	BHAF	
CC1=CCCC2=C[C@H](CC(C)=CCC1)OC2=O	1857742104	JOQILOMKLDOWGX-AWEZNQCLSA-N	232.323	3.695	0	1	BHAF	
CC(C(=O)O)=C1CCC2=CCC[C@@H](C)[C@@]2(C)C1	2356646955	VNECIGJTOXTUTM-MEBBXXQBSA-N	234.339	3.934	0	1	BHAF	
CCOC(=O)/C=C/Cc1ccc(C(C)(C)C)cc1	103244516	FVWGZBMASWEZCH-SOFGYWHQSA-N	246.350	3.646	0	1	BHAF	
CN(C)C[C@@H]1C2CCC(CC2)[C@H]1c1ccccc1	5764860	XQGAMWDOCIXVRB-OKEQZYBDSA-N	243.394	3.768	0	1	BHAF	
Fc1ccc2c(c1)CC/C2=C\c1cccnc1	13610768	WLUDJBASYYHRDC-XYOKQWHBSA-N	225.266	3.708	0	1	BHAF	in-vivo
COc1ccc([C@@H]2C[C@@H]2c2ccccc2)cc1	3161118	GLURZDVUJCOVBV-CVEARBPZSA-N	224.303	3.966	0	1	BHAF	biogenic
CCCC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	5819640	VIPNQHBVIDJXJE-SUNKGSAMSA-N	224.344	3.545	0	1	BHAF	in-man
C[C@H]1C(CCO)=CC[C@@]2(C)[C@H](C)CC[C@]12C	14657577	NOCIFLGYYDFRLP-PAPYEOQZSA-N	222.372	3.778	0	1	BHAF	biogenic
Cc1ccc(C)c2c1CCc1ccoc1C2	14720737	JRTMWUAPYIQOCH-UHFFFAOYSA-N	212.292	3.586	0	1	BHAF	biogenic
Cc1coc2c1[C@@H](O)[C@@]1(C)[C@H](C)CCC[C@@H]1C2	15220873	ANKFPIBCTISOBX-FKGLVLAHSA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
CC1=CC(=O)C[C@H](C)[C@@H]2CC(=C(C)C)C[C@H]12	16975370	BVZZQXFBJGQDRK-GLQYFDAESA-N	218.340	3.904	0	1	BHAF	biogenic
CC1=C[C@@H]2OC(C)(C)[C@H]3CC[C@@H](C)[C@@]23CC1	85666901	JGKMDLIITSKWAD-GUIRCDHDSA-N	220.356	3.936	0	1	BHAF	in-man
Cc1coc2c1[C@H](O)[C@]1(C)[C@@H](C)CCC[C@@H]1C2	230083083	ANKFPIBCTISOBX-IDTSFGKNSA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
CC1=C[C@H]2C(=C(C)C)[C@H]3C[C@H](C)[C@H]2[C@@H](C1)O3	2356570407	HWBVMESCZGIWFV-RLPMIEJPSA-N	218.340	3.712	0	1	BHAF	
COC(=O)CCC=C(C)CC[C@H]1CC1(C)C	2356807766	YCTZFIJUSFYQSL-LBPRGKRZSA-N	224.344	3.712	0	1	BHAF	
CC(C)=C[C@H]1[C@H](C)CC[C@@H]2[C@H](C)CC[C@]12O	14635813	QGALFKRHZSPTEG-ARILJUKYSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
Cc1cc2c(C)coc2cc1[C@@H]1CC[C@](C)(O)O1	14694223	HGZNBZRPLXXXCS-DZGCQCFKSA-N	246.306	3.610	0	1	BHAF	biogenic
C[C@H]1CC/C(=C/C(C)(C)O)[C@H]2[C@@H](C)CC[C@@H]12	140427173	IYMKPZYUEJPWPC-FCKSXWJZSA-N	222.372	3.776	0	1	BHAF	
Cc1ccc([C@@H](C)C[C@@H](O)CC(C)C)cc1	2356393357	HVJMKUFWPYHXCM-ZFWWWQNUSA-N	220.356	3.896	0	1	BHAF	
CC1(C)[C@H]2CC[C@@]3(C)O[C@]4(C)CC[C@@H]3[C@@H]4[C@H]21	2356477130	XMYINGMBVGGPBQ-NMAMFNKQSA-N	220.356	3.626	0	1	BHAF	
CC1(C)CCC=C2C[C@@H](CO)C(C)(C)[C@@]21C	2356552071	CDVKOPSZZHDBPE-WFASDCNBSA-N	222.372	3.778	0	1	BHAF	
CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C(=O)O)CC[C@@]2(C)C1	2356799694	UTAPFIDKLZCUOR-LWWSYDQCSA-N	236.355	3.704	0	1	BHAF	
CC(C)C(=O)CCC=CC=CC(C)(C)[C@@H](C)O	2356861948	UVKLYJFZSSUNQM-CYBMUJFWSA-N	238.371	3.511	0	1	BHAF	
Cc1cnc2nc(-c3ccccc3)ccc2c1	95567593	SAKXGJAPOGWEPQ-UHFFFAOYSA-N	220.275	3.605	0	3	BHAF	
CC1=C[C@H]2[C@@H](C(C)C)CC[C@H](C)[C@@]2(O)CC1	12153514	COGPRPSWSKLKTF-XGUBFFRZSA-N	222.372	3.776	0	1	BHAF	endogenous,in-man
C=C(C)C(=O)[C@@H]1CCC2=CCC[C@H](C)[C@@]21C	13385647	BBPWHBFXPZVFJI-WHOFXGATSA-N	218.340	3.904	0	1	BHAF	biogenic
CCCCCSc1ccccc1OC(C)=O	13782079	QCBPAZOETZPVCH-UHFFFAOYSA-N	238.352	3.894	0	1	BHAF	in-vivo
Cc1ccc([C@H](C)CCC(=O)C(C)C)c(O)c1	14444402	NJCAREDQTSPWPA-GFCCVEGCSA-N	234.339	3.809	0	1	BHAF	biogenic
Cc1ccc2c(c1)CC[C@](C)(O)CC[C@]1(C)C[C@@H]21	14859012	YMVTUORVSXOVHO-BBWFWOEESA-N	244.378	3.966	0	1	BHAF	biogenic
CN1CCc2c(Cl)ccc3c2[C@H](CCCC3)C1	27723046	VRVFNIILSRTOCY-GFCCVEGCSA-N	249.785	3.638	0	1	BHAF	
NC1=N[C@H]2CCCCCCCCCC[C@H]2S1	29338219	MCEJXYVWBFSGNW-NWDGAFQWSA-N	240.416	3.700	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1	586886016	AVNRUDSFWMLRFE-ISVAXAHUSA-N	249.745	3.823	0	1	BHAF	
CCC[C@@H](c1nc2ccnc(OC)c2[nH]1)C(C)C	587955325	HIUVPOBCSUTAEA-SNVBAGLBSA-N	247.342	3.506	0	1	BHAF	
c1ccc([C@@]2(N3CCCCC3)CC[C@H]3C[C@H]32)cc1	13731062	QWQBIGYOFYXHMI-UAGQMJEPSA-N	241.378	3.798	0	1	BHAF	
CC/C=C\CCCCCCCCOC=O	15146266	HYVCKHXCUSZQLA-ARJAWSKDSA-N	212.333	3.856	0	1	BHAF	
Fc1cccc2[nH]cc(/C=C/c3cccnc3)c12	72106826	XIKXBVJXJHYCKV-VOTSOKGWSA-N	238.265	3.872	0	1	BHAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)C(=O)[C@H]31	257530908	RHEDCGAFLFEFKC-SQLGEJSKSA-N	220.356	3.674	0	1	BHAF	biogenic
Oc1ccc2c(c1)-c1oc3ccccc3c1CC2	653747669	DXJZEHQNQAZTIB-UHFFFAOYSA-N	236.270	3.904	0	1	BHAF	
CC(=O)O[C@@H]1C[C@@H]2C=CC[C@H](C(C)C)[C@H]2C=C1C	2356799494	UNERXIBGMVIOQL-XUWVNRHRSA-N	248.366	3.733	0	1	BHAF	
CC(C)[C@@]1(O)CCC2=CCC[C@H](C)[C@@]2(C)C1	15201054	WMZDTEBVGDPDQL-NWANDNLSSA-N	222.372	3.920	0	1	BHAF	
CC(C)C1=CC[C@@](C)(O)C2=CC[C@H](C)[C@@H]2C1	15264283	ARYPFUHQFSBUIL-CORIIIEPSA-N	220.356	3.696	0	1	BHAF	
CCN[C@@]12CCCC[C@H]1CCc1ccccc12	29569757	DGBRGNBZYYODJF-HOCLYGCPSA-N	229.367	3.628	0	1	BHAF	
CC1=C[C@@]2(C=C[C@@H](C)O2)[C@@H](C(C)C)CC1	59560112	QQLMXACDDRGTPU-MCIONIFRSA-N	206.329	3.712	0	1	BHAF	in-man
CCCC/C=C/c1nc2c(C)nc(C)cc2[nH]1	587966973	ZXQYOKYERWRHME-BQYQJAHWSA-N	229.327	3.778	0	1	BHAF	
Cc1ccccc1C1=Cc2c(C)cc(C)n2C1=O	653725566	LAGHSNTVQAHOID-UHFFFAOYSA-N	237.302	3.608	0	1	BHAF	
c1cc2ccc(-c3ccnc4[nH]ccc34)cc2cn1	1240413368	USDXILWDTUBLBF-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
CC(C)=CCC[C@@](C)(O)[C@@H]1CC=CCC1	14614542	NHPAJUWVDYHROB-ZIAGYGMSSA-N	208.345	3.840	0	1	BHAF	biogenic
CC1(C)C=C[C@@]23CC[C@H](O)[C@@](C)(CC[C@@H]12)C3	14928869	ZNUVKYSTJRDOHT-NZBPQXDJSA-N	220.356	3.530	0	1	BHAF	biogenic
CC/C=C/CCCc1cc(=O)c2ccccc2[nH]1	144295488	NNRQRIKGBJBXDO-ONEGZZNKSA-N	241.334	3.817	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(F)cc2[nH]1	586887747	HOUZFZZGEWASLI-ZANVPECISA-N	218.275	3.606	0	1	BHAF	
CCCC/C=C/c1nc2cncc(Cl)c2[nH]1	587966522	VNPBHOSMKZCUEK-AATRIKPKSA-N	235.718	3.815	0	1	BHAF	
CCCCN1CC[C@H]2c3ccccc3CC[C@H]2C1	13455427	HHEIQDXGHHAKRI-DOTOQJQBSA-N	243.394	3.838	0	1	BHAF	
C=C1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)C=C12	15206964	SKTNVTDTHGDEEV-AEGPPILISA-N	220.356	3.696	0	1	BHAF	biogenic
Cc1ccc(-c2nc3ccccc3o2)s1	98085020	IBWIRRWULCBTFC-UHFFFAOYSA-N	215.277	3.865	0	1	BHAF	
C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C(C)=C/CC1	101672670	OVDMFKGCVWVONO-BSTGVKIKSA-N	234.339	3.631	0	1	BHAF	biogenic,in-vitro
CC1=C2C[C@H]3CC[C@@H](C)[C@]2(C[C@@H]1O)C3(C)C	238785929	KVXSGZUUGMQBGN-RNKJKDHYSA-N	220.356	3.530	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1N1CCCCCC1	587636689	CUAOGQZZTOGSQY-UHFFFAOYSA-N	246.329	3.996	0	1	BHAF	
CC1=C2CC[C@H](C)[C@@H]2CC(C)(C)C[C@H](O)C1	2356340471	PXKJCWZAMAFFIW-SUHUHFCYSA-N	222.372	3.920	0	1	BHAF	
CC1(C)Oc2ccc(Cl)cc2C12CC2	1864204	LSLMRJKLWHQQKV-UHFFFAOYSA-N	208.688	3.543	0	1	BHAF	
CC(=O)[C@@H]1CCC(C)=C2CC=C(C)[C@@H]2C1	33830836	RLXMQOKUFPBVGV-OCCSQVGLSA-N	204.313	3.658	0	1	BHAF	biogenic,in-vitro
O=c1ccc(-c2ccccc2)cn1-c1ccccc1	95563757	ILGWLGABMQLRFH-UHFFFAOYSA-N	247.297	3.505	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(F)cc(F)c2[nH]1	586887797	HZKRDWOLWRFLQX-SDBXPKJASA-N	236.265	3.745	0	1	BHAF	
CC(C)[C@H](N)c1nc2cccc(C(C)(C)C)c2[nH]1	587258409	AOIHZMFEAZRMEH-LBPRGKRZSA-N	245.370	3.516	0	1	BHAF	
CCC[C@H](CCn1cncn1)c1ccc(C)cc1	1857629511	LSTOIOGQMPLWCY-CQSZACIVSA-N	243.354	3.561	0	1	BHAF	
CCCCC[C@@H](O)CCc1ccc(F)c(F)c1	1911579298	XYMFLPKHFIBTFC-GFCCVEGCSA-N	242.309	3.839	0	1	BHAF	
CC(C)C1=C[C@@H](O)[C@H](C)CC=C[C@@H](C)CC1	2356524279	XRVZBFPDDHAYMH-UMVBOHGHSA-N	222.372	3.942	0	1	BHAF	
CCCCCCOc1cccc2ccc(N)nc12	28390418	SBZZEIZRHJBKKE-UHFFFAOYSA-N	244.338	3.776	0	1	BHAF	in-vivo
CCOC(=O)c1c[nH]cc1-c1ccc(Cl)cc1	6403667	RQSAOSHNBJFBJS-UHFFFAOYSA-N	249.697	3.512	0	1	BHAF	
CC1=CC[C@]2(CC1)[C@H](C)CC[C@H]2C(C)(C)O	13307530	XDVDHFJMCJWDPI-IPYPFGDCSA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
CN[C@@]12CCCC[C@H]1CC(C)(C)c1ccccc12	26147473	YTKCGNXANRDIGC-GUYCJALGSA-N	243.394	3.973	0	1	BHAF	
CCc1cccc2c1[S@](=O)c1ccccc1O2	26258691	LOTFYWFSOKVVMS-KRWDZBQOSA-N	244.315	3.521	0	1	BHAF	
O=C1C[C@H](C2CCCCC2)Nc2ccccc21	218818894	AEIBVUIOTKAMIU-CQSZACIVSA-N	229.323	3.634	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)C[C@]3(C)CC[C@H]1[C@]23O	254209912	ZCRYDCBITZERMT-FPVZYODXSA-N	222.372	3.610	0	1	BHAF	
Oc1cccc2nc(/C=C\c3ccsc3)[nH]c12	587026047	QYGUMINDSFJXGQ-PLNGDYQASA-N	242.303	3.500	0	1	BHAF	
Cc1ccc([C@H](C)C[C@H](O)CC(C)C)c(O)c1	13377523	BBLXPOXTPCPOJY-CHWSQXEVSA-N	236.355	3.601	0	1	BHAF	biogenic
CC1=C[C@]2(O)[C@H](CC1)C(C)=CC[C@@H]2C(C)C	13381199	KIFNZUKQSDESLM-RBSFLKMASA-N	220.356	3.696	0	1	BHAF	biogenic
CC1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)[C@H](O)C1	14917977	NOCUZOKOOMNRCW-HZSPNIEDSA-N	220.356	3.696	0	1	BHAF	biogenic
c1ccc(-c2cc3[nH]c4ccccc4nc-3n2)cc1	101248284	UGGXSODFTMLDOO-UHFFFAOYSA-N	245.285	3.730	0	1	BHAF	
Clc1ccc(CCCCn2ccnc2)cc1	113762117	RBTQGGJTFWBCHX-UHFFFAOYSA-N	234.730	3.559	0	1	BHAF	
CC1=CC(C)=CN(Cc2ccccc2C)[CH]1	2356826566	ZAZCYQNLNHJDEO-UHFFFAOYSA-N	212.316	3.823	0	1	BHAF	
CCCN(CCC)[C@@H]1C[C@H]1c1ccccc1OC	13755513	NHIZHIQMHLZUQZ-LSDHHAIUSA-N	247.382	3.673	0	1	BHAF	
Oc1cccc2ccc(/C=C/c3ccco3)nc12	45338414	ZXPFAMFHKWMWFG-CMDGGOBGSA-N	237.258	3.704	0	1	BHAF	
O=C(Cc1ccccc1)c1cc2ccccc2[nH]1	66079407	ZPNWJGPRXXTUNI-UHFFFAOYSA-N	235.286	3.593	0	1	BHAF	
CC[C@@H](C)c1cc([C@@H](O)C(F)(F)F)ccc1O	84729600	GQQBRVZIRYZGGU-RDDDGLTNSA-N	248.244	3.501	0	1	BHAF	
CCCOc1cccc(OCCC(C)C)c1	103208736	LWXHGVVNPPNXFN-UHFFFAOYSA-N	222.328	3.900	0	1	BHAF	
CC1=C[C@]2(C)C(=O)C[C@H]3[C@H](C)CC[C@]32[C@@H]1C	238735490	WTORUARCGCVBSQ-DJOIZQNCSA-N	218.340	3.594	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)C[C@@H]1O	2356340717	WEDRSLQTRJEVCH-SNPRPXQTSA-N	220.356	3.696	0	1	BHAF	
CC1=C2CC[C@](C)(O)C[C@@H]2[C@@H](C(C)C)CC1	2356445795	OYKYYOKNASFMLL-YUELXQCFSA-N	222.372	3.920	0	1	BHAF	
CC(C)[C@@H]1CC[C@H](C)[C@@H]2CC[C@@](C)(O)C=C12	14918769	IHEUASSNMSDWFX-PWNZVWSESA-N	222.372	3.776	0	1	BHAF	biogenic
CC[C@@H]1C[C@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	40375183	OWBORVXXMMDEAN-YVVXQTMVSA-N	243.394	3.619	0	1	BHAF	
Cc1ccc2c3c([nH]c2c1)-c1nocc1CCC3	73200210	UOQSRXGWKQBVNQ-UHFFFAOYSA-N	238.290	3.620	0	1	BHAF	
Cc1ccc2c(c1CCC(C)C)CCC[C@H]2CO	84705402	PEKUIEKQBFXHAW-AWEZNQCLSA-N	246.394	3.996	0	1	BHAF	
FC(F)(Cl)c1cc2c3c(cccc3n1)CC2	587210137	GKRZFHFGPSWUES-UHFFFAOYSA-N	239.652	3.622	0	1	BHAF	
CCCCc1cc2c3c(cccc3n1)CC2	587214292	RJVZMYIJIACPTC-UHFFFAOYSA-N	211.308	3.676	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@H]2C=C(C(=O)O)CC=C12	653783789	SYIFYDJVINSJIJ-TZMCWYRMSA-N	232.323	3.566	0	1	BHAF	
CC1=C[C@@H]2Cc3occc3C(C)(C)[C@H]2C=C1	15222114	SQAVUCKXPOTTEA-NEPJUHHUSA-N	214.308	3.862	0	1	BHAF	biogenic
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@H]3C[C@@]32C1	33503582	DRZJMHNJQWFIES-GBOPCIDUSA-N	222.372	3.754	0	1	BHAF	
COc1cc(/C=C/C(C)=C/C(C)C)oc(=O)c1C	34383166	LFDOHNBSXGQBPQ-HRCSPUOPSA-N	248.322	3.572	0	1	BHAF	
CN(C)[C@H]1CC[C@H](c2c[nH]c3c(F)cccc23)C1	38919174	IZSJBPYSEIJUIT-QWRGUYRKSA-N	246.329	3.505	0	1	BHAF	
O=C(O)CCCCCCCCCC=CCCO	2356599892	PXYSSHWBJZENJR-UHFFFAOYSA-N	242.359	3.521	0	1	BHAF	
Cc1ccc([C@H](C)CC(=O)CC(C)C)cc1O	14444406	VLJVBISZYRTNJO-GFCCVEGCSA-N	234.339	3.809	0	1	BHAF	endogenous,in-man
CC[C@H](C)CCCCCC1=CCC(=O)O1	14592607	LXECKBJXFXENSF-NSHDSACASA-N	210.317	3.814	0	1	BHAF	biogenic
C[C@H](C(=O)O)c1ccc(Nc2ccccc2)cc1	26377442	YZXXKOJOBYISKD-NSHDSACASA-N	241.290	3.618	0	1	BHAF	
CCSc1cc(-c2cccnc2)cs1	28364246	LBVYWWQGCDXMFA-UHFFFAOYSA-N	221.350	3.922	0	1	BHAF	
C=CC(=O)Oc1ccccc1CCCCCC	28863310	MADYBBZSBQFZRP-UHFFFAOYSA-N	232.323	3.901	0	1	BHAF	in-vivo
C(=C/c1ccc2[nH]ccc2c1)\c1cccnc1	72107905	VJGPRFSMYYFICG-ONEGZZNKSA-N	220.275	3.733	0	1	BHAF	
CC(C)COc1cc2c3ccccc3nc-2c[nH]1	100640586	QUDSZGFPDUXASR-UHFFFAOYSA-N	240.306	3.703	0	1	BHAF	in-vivo
CC1(C)CC=C[C@]23C=Cc4occc4[C@H]2[C@H]13	238742542	ZMTRKLHXJVZION-GUTXKFCHSA-N	212.292	3.992	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2c(C)cnc(Cl)c2[nH]1	586886018	AVNRUDSFWMLRFE-SDBXPKJASA-N	249.745	3.823	0	1	BHAF	
CC(=O)CC[C@@H](C=C[C@]1(C)CCCO1)C(C)C	2356686463	GPNLVCAPXPSJQB-GJZGRUSLSA-N	238.371	3.753	0	1	BHAF	
CC(C)=C[C@H](O)C[C@H](C)c1ccc(C)cc1	13377434	NRBFEAZFHRHFFQ-ZFWWWQNUSA-N	218.340	3.816	0	1	BHAF	endogenous,in-man
CC1(C)CCC[C@@]1(C)[C@@]12CC[C@](C)(O)[C@@H]1C2	34310430	KETNCTJQTHDBOO-SPWCGHHHSA-N	222.372	3.754	0	1	BHAF	
COc1cc2c(cc1C(C)=O)C(C)(C)CCC2	38813367	AXZMCZVGIIUQMK-UHFFFAOYSA-N	232.323	3.512	0	1	BHAF	
CCc1ccc(O)c(C(=O)c2ccc(C)s2)c1	28762063	CWBJHOKXRNQVLV-UHFFFAOYSA-N	246.331	3.556	0	1	BHAF	
CC(C)c1nc(Cl)nc(Cl)c1Cl	1689141	LIMLIYISTWYZKT-UHFFFAOYSA-N	225.506	3.560	0	1	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@](C)(O)C[C@]21C3	2356468044	PCROEXHGMUJCDB-SQLGEJSKSA-N	222.372	3.610	0	1	BHAF	
C=C1CC=CC(C)(C)[C@]12CC[C@@H](C)C(=O)C2	13385398	ZYEPHLBHZCRIHX-ABAIWWIYSA-N	218.340	3.904	0	1	BHAF	biogenic
C[C@H]1CC[C@@H]2C(C)(C)C(=O)[C@@]3(C)CC[C@@]12C3	14764812	FKIMAXRXZJXZBA-IDTSFGKNSA-N	220.356	3.818	0	1	BHAF	biogenic
Clc1ccc(C/C=C2\CN3CCC2CC3)cc1	26379100	NLZGWEIVKKBNRQ-LNKIKWGQSA-N	247.769	3.535	0	1	BHAF	
Cc1ccc(-c2cccc(-c3ccccn3)n2)nc1	35654035	NFFCTQMTJGEEEW-UHFFFAOYSA-N	247.301	3.514	0	1	BHAF	
CC1=C2CC[C@H](C)[C@H]2C[C@@H](C(C)(C)O)CC1	38588218	LGOFSGDSFQNIAT-SGMGOOAPSA-N	222.372	3.920	0	1	BHAF	endogenous,in-man
C[C@@H]1C(=O)C[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C	149540268	FFYZWVPYUFHRGO-VEQZDLLVSA-N	220.356	3.674	0	1	BHAF	
C[C@@H]1CC=CC[C@H]1c1nc2ccccc2[nH]1	587968132	VIEIUGWWWJFWRF-GHMZBOCLSA-N	212.296	3.633	0	1	BHAF	
CC(C)[C@@]1(O)CC[C@@]2(C)CC=C[C@@H](C)[C@@H]2C1	2356347901	QTYOCPHBJLCFIG-LXTVHRRPSA-N	222.372	3.776	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)[C@H](O)C[C@H]2C	2356483289	HTPALWBCPQXQBN-DFBGVHRSSA-N	218.340	3.603	0	1	BHAF	
Cc1ccccc1[C@H]1CC(c2ccccc2)=NO1	5808537	YKKKNWMVAVUVKL-MRXNPFEDSA-N	237.302	3.861	0	1	BHAF	
C/C=C(/C)C(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	33950772	ZUVAGNOBOHVXJJ-BZWVZTCCSA-N	236.355	3.711	0	1	BHAF	
C/C(=C\CO)CC/C=C(\C)Cc1ccccc1	90697165	GMPPUWZTZSUDPV-GGQZXFEVSA-N	230.351	3.894	0	1	BHAF	
CC1(C)[C@@H]2CC[C@@]3(C)CCC[C@](C)(O)[C@H]3[C@@H]21	95911250	CJRKEDMYNFITCQ-AMVBZWJASA-N	222.372	3.610	0	1	BHAF	biogenic,in-vitro
C[C@@]12N[C@H](C[C@H]3CCCC[C@H]31)c1ccccc12	169365533	ASEZTUXOIVZOLB-UIBBOPPKSA-N	227.351	3.756	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(C(C)=O)cc2[nH]1	586890927	PXNSJNNEVIAEMH-ABAIWWIYSA-N	242.322	3.669	0	1	BHAF	
CC(C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587525380	OPYWTIOYZBXSPC-OAHLLOKOSA-N	244.334	3.555	0	1	BHAF	
CC(C)=CCC/C(C)=C\c1nc2cncnc2[nH]1	587969549	ZEQRKMRQWIHQOD-XFFZJAGNSA-N	242.326	3.503	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)CC=C(C(=O)O)CC=C12	2356532260	IJONQLXWTMQRPH-SWLSCSKDSA-N	234.339	3.790	0	1	BHAF	
C=C(C(=O)O)C1=C2C=C(C)CC[C@H]2[C@H](C)CC1	13381535	TYEINKOPUFHKES-PWSUYJOCSA-N	232.323	3.710	0	1	BHAF	biogenic,in-vitro
CCCC[C@@]1(O)C[C@@H]2C[C@@H]1[C@@H](C)C2(C)C	105517328	SMRFYWWGKRCKHO-GFQSEFKGSA-N	210.361	3.610	0	1	BHAF	
CC1(C)CC(=O)CC2(CC(=O)CC(C)(C)C2)C1	205160306	OCZVJXZFBXBKIY-UHFFFAOYSA-N	236.355	3.531	0	1	BHAF	
Cc1cncc(-c2cc3c4c(cccc4n2)CC3)c1	587211983	JXRQQIQLBVVSHF-UHFFFAOYSA-N	246.313	3.704	0	1	BHAF	
CCCC/C=C\c1nc2cc(OC)c(F)cc2[nH]1	587964940	FJLNSGIZKPLHJX-SREVYHEPSA-N	248.301	3.914	0	1	BHAF	
CC(C)=CCCC(C)=CCCC1=CC(=O)OC1	2356598104	FNHHDLJGCKAXKZ-UHFFFAOYSA-N	234.339	3.943	0	1	BHAF	
c1ccc(N2[C@H]3CC[C@@H]2Cc2ccccc23)cc1	61921055	GNAVWKWFFDQUST-WBVHZDCISA-N	235.330	3.953	0	3	BHAF	
CC(=O)CC[C@@H]1[C@@H]2C=C(C(C)C)CC[C@@]21C	14677624	WNNZYYHCIGZOMR-QLFBSQMISA-N	220.356	3.984	0	1	BHAF	biogenic
C[C@H]1CCCCCC/C=C\CCCC(=O)O1	34542544	UNYFVMZKRMXDRF-AGLBCWCQSA-N	224.344	3.999	0	1	BHAF	
COc1csc2cc(Br)ccc12	45323509	ZXBZGTCHIPVSHU-UHFFFAOYSA-N	243.125	3.672	0	1	BHAF	
CC=Cc1c(CC)c2n3c1CC[C@H]3CC=C2	2356663413	FLBBRRZFRKLKMF-LLVKDONJSA-N	213.324	3.988	0	1	BHAF	
CN[C@]12CCCC[C@H]1CC(C)(C)c1ccccc12	13831987	YTKCGNXANRDIGC-SUMWQHHRSA-N	243.394	3.973	0	1	BHAF	
CN(C)[C@H]1CC=C(c2c[nH]c3ccccc23)CC1	28819428	OLBSGDZXLHSPOR-ZDUSSCGKSA-N	240.350	3.665	0	1	BHAF	in-vivo
O=C1Cc2c(oc3ccccc23)-c2ccccc2N1	29053312	MTJNVONGPGXCPJ-UHFFFAOYSA-N	249.269	3.594	0	1	BHAF	
C[C@@H](N)c1cccc(-c2cccc3[nH]ccc23)c1	1240712257	FBTJVDBDXFBYCD-LLVKDONJSA-N	236.318	3.855	0	1	BHAF	
CC1=C(CO)C[C@@]2(C)CCCC(C)(C)[C@@]12C	2356655926	BIFZUAUNLQJSKA-HUUCEWRRSA-N	222.372	3.922	0	1	BHAF	
C=C1CCC[C@H](C(=O)O)CC[C@H]2[C@H]1CC2(C)C	14920572	RKHVEZWVFYPTNH-AVGNSLFASA-N	236.355	3.870	0	1	BHAF	biogenic
CC(C)CCCC[C@@H](C)CCC(=O)O	15119689	ROSUZCIPJNWOTA-LLVKDONJSA-N	200.322	3.704	0	1	BHAF	biogenic
CCCNC(=O)Nc1ccc([C@@H](C)CC)cc1	27747550	XNWVKJXAONKXRJ-NSHDSACASA-N	234.343	3.732	0	1	BHAF	
CSc1nc2cc(Cl)c(Cl)cc2n1C	28640562	AVTMPBGZZKTKJC-UHFFFAOYSA-N	247.150	3.602	0	1	BHAF	
Clc1ccccc1C1=NO[C@H]2CCCC[C@@H]12	95574357	JEXSORRCJOMKOT-PWSUYJOCSA-N	235.714	3.633	0	1	BHAF	
CC1(C)[C@H]2Cc3c(nc4cccc5c4c3CC5)[C@@H]21	587215266	KLODVKRAYXHGBO-SWLSCSKDSA-N	235.330	3.629	0	1	BHAF	
CC1=CC[C@]2(CC1)[C@H](C)CC[C@@]2(O)C(C)C	13307524	LKCXXQCYAOULSO-QLFBSQMISA-N	222.372	3.920	0	1	BHAF	biogenic
CC1=CC=C[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	15206763	AMZWKSYAMHGGSR-IPYPFGDCSA-N	220.356	3.696	0	1	BHAF	
CC[C@@H](C)[C@H]1C[C@H](Cc2ccccc2)SC1=O	34083874	BGCYZMXAVKUSEX-KWCYVHTRSA-N	248.391	3.924	0	1	BHAF	
c1cncc(-c2cccc(-c3ccsc3)n2)c1	40845531	OBDFBDCUMVHUBY-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
Cc1ccc([C@@H](C)CC(=O)CC(C)C)cc1O	14444408	VLJVBISZYRTNJO-LBPRGKRZSA-N	234.339	3.809	0	1	BHAF	endogenous,in-man
c1ccc(NCc2coc(-c3ccco3)n2)cc1	72184241	FKQOETYGUJXPRE-UHFFFAOYSA-N	240.262	3.547	0	1	BHAF	
CC[C@@H](C)c1cc2c3c(cccc3n1)CC2	587213530	IWXLYDHSPXUCNY-SNVBAGLBSA-N	211.308	3.847	0	1	BHAF	
CC1=CCCC2=C[C@@H](CC(C)=CCC1)OC2=O	2356484846	JOQILOMKLDOWGX-CQSZACIVSA-N	232.323	3.695	0	1	BHAF	
C1=C(c2cc3ccccc3s2)C2CCN1CC2	17171	SFSDXYWNODMHCY-UHFFFAOYSA-N	241.359	3.968	0	1	BHAF	
Cc1sc(C)c2c1CCC[C@H]2c1c[nH]cn1	24133	AOQYWVCOSJELMS-NSHDSACASA-N	232.352	3.556	0	1	BHAF	
CN(C)[C@H]1CC[C@H](c2c[nH]c3ccc(F)cc23)C1	38418469	LRSVJJWABVMKRA-JQWIXIFHSA-N	246.329	3.505	0	1	BHAF	
c1cncc([C@@H]2[C@H]3CCc4ccccc4[C@H]32)c1	38763435	QRKOWDMRFAGLGC-BZUAXINKSA-N	221.303	3.525	0	1	BHAF	
CCCCOc1cccc2oc(C(=O)O)c(C)c12	98084724	SZRLRPIERSPCBD-UHFFFAOYSA-N	248.278	3.618	0	1	BHAF	
CC(C)=CCC[C@](C)(O)[C@@H]1CC=CCC1	14614543	NHPAJUWVDYHROB-KGLIPLIRSA-N	208.345	3.840	0	1	BHAF	biogenic
O=C1C[C@@H](C2CCCCC2)Nc2ccccc21	207491483	AEIBVUIOTKAMIU-AWEZNQCLSA-N	229.323	3.634	0	1	BHAF	
C1CC[C@@H](C[C@@H](C2CCCC2)C2CC2)NC1	1772577790	NYRSPWSFCYBJRQ-GJZGRUSLSA-N	221.388	3.735	0	1	BHAF	
C[C@@H](c1cccc(C2CC2)c1O)C1CC1	1857628241	AAOSVIVEIMSABL-SECBINFHSA-N	202.297	3.783	0	1	BHAF	
CC1(C)CC=C[C@]2(C)C[C@H](CO)C(C)(C)[C@H]12	2356668143	FZQSFFXBKWKOFG-TYNCELHUSA-N	222.372	3.633	0	1	BHAF	
C/C1=C\CC/C(C(=O)O)=C\[C@@H]2[C@H](CC1)C2(C)C	169356613	BBGNZFMMXLMZRC-GHEJKXJMSA-N	234.339	3.790	0	1	BHAF	
C=C/C(C)=C/C=C/[C@H](O)CCC=C(C)C	238778592	DOQHWMWPLINRND-FCPMFBFPSA-N	206.329	3.782	0	1	BHAF	
CC1=C[C@@H]2C(=C[C@@H]1O)[C@@H](C)CC[C@@H]2C(C)C	2356328995	PDDMWQFBZZFOQR-FDEJFUCISA-N	220.356	3.552	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CCC(C)=CCC1)[C@@]2(C)CO	2356385322	XQMLUDKCNROUCA-RBSFLKMASA-N	220.356	3.698	0	1	BHAF	
c1cncc(-c2csc(-c3cncs3)c2)c1	473090587	WNKQZLFWZLQFOH-UHFFFAOYSA-N	244.344	3.934	0	1	BHAF	
CC(C)(Cl)c1nc2ccc3ncccc3c2[nH]1	587007993	KHKWJOGFWMXXAG-UHFFFAOYSA-N	245.713	3.585	0	1	BHAF	
Cc1c(-c2ccccn2)[nH]c2cccc(F)c12	587637193	XVXIGBZQRJLVPF-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
C/C=C\c1ccc(OC(=O)[C@H](C)CC)cc1	14680239	QVAWDXCSFUFEAT-VLWUPBBWSA-N	218.296	3.671	0	1	BHAF	
CN[C@]12CC=CC[C@H]1C[C@@H](C)c1ccccc12	13831984	DYWTYZQHULDNCR-DVOMOZLQSA-N	227.351	3.575	0	1	BHAF	
CCC[C@H](c1nc2c(C)nccc2[nH]1)C(C)C	587954659	AEWYBJDSQOLWSI-NSHDSACASA-N	231.343	3.806	0	1	BHAF	
CC[C@@H](C)c1nc2cc(Cl)cc(F)c2[nH]1	587956236	OVGSKABFKJWJEF-ZCFIWIBFSA-N	226.682	3.869	0	1	BHAF	
CN1CCC[C@@H]1c1ccc(-c2ccccc2)nc1	13487898	JOXQTJBTTWJYHB-MRXNPFEDSA-N	238.334	3.515	0	1	BHAF	
CC(C)[C@@H]1CC[C@@H](C)[C@]12C=CC(=O)CC2	14517638	DSSBTLQJLSPXEW-KWCYVHTRSA-N	206.329	3.594	0	1	BHAF	biogenic
C[C@@H]1CC[C@]2(C)C(CO)=C[C@@]3(C)CCC[C@]123	14558698	MSGABRNJYJTPOS-NMFUWQPSSA-N	220.356	3.532	0	1	BHAF	biogenic
CC1=CC[C@H]2C[C@@]3(OC2(C)C)C(C)=CC[C@H]13	15160842	KVJMJCYPKZHEPD-GZBFAFLISA-N	218.340	3.857	0	1	BHAF	biogenic
Cc1ccc(C)c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1	100863034	VMNUJZBAOUTBFJ-MGPQQGTHSA-N	243.350	3.678	0	1	BHAF	
Nc1c2c(nc3c(Cl)cccc13)[C@@H]1CC[C@@H]2C1	101239471	NNGFBICBXZNRCM-HTQZYQBOSA-N	244.725	3.835	0	1	BHAF	
CCCCC12C[C@H]3C[C@H](C1)CC(NC)(C3)C2	102156106	PTJZYMGQONNYKV-LMRVLLHPSA-N	221.388	3.735	0	1	BHAF	
CC(C)C1=C[C@@H]2[C@@](C)(O)CCC[C@@]2(C)CC1	15209583	PBGYWCDUYHJYFV-KKUMJFAQSA-N	222.372	3.920	0	1	BHAF	biogenic
CN(C)[C@@H]1CC[C@@H](c2c[nH]c3cccc(F)c23)C1	64393094	XOEYYOYWTDHCHM-GHMZBOCLSA-N	246.329	3.505	0	1	BHAF	
C1CC[C@H](C[C@@H](C2CCCC2)C2CC2)NC1	1772577786	NYRSPWSFCYBJRQ-CABCVRRESA-N	221.388	3.735	0	1	BHAF	
C[C@@H]1CC[C@@H]2C[C@]3(C)C[C@@H]3C(C)(C)C[C@]12O	2356478520	HJRGEXWNMQQNJV-FWZIUSJTSA-N	222.372	3.610	0	1	BHAF	
CN1CC=C(Cc2ccc3ccccc3c2)CC1	13651685	DTTSDNDXAWOHSG-UHFFFAOYSA-N	237.346	3.644	0	1	BHAF	
C[C@@H]1C(=O)C[C@@H]2[C@H]3CC[C@@H](C)[C@@]12CC3(C)C	34181627	KHINYKJYBNWSSP-LEQHPZHVSA-N	220.356	3.674	0	1	BHAF	
C[C@@H]1C(=O)C[C@@H]2[C@H]3CC[C@@H](C)[C@]12CC3(C)C	102945395	KHINYKJYBNWSSP-ACVJOUTJSA-N	220.356	3.674	0	1	BHAF	
CC1=CC[C@H]2[C@]3(C)CC[C@H]4[C@@H]3[C@@]12OC4(C)C	197247202	MMJLGRDTAHXVGD-ZCRGAIPPSA-N	218.340	3.546	0	1	BHAF	
Cc1ccc2c(c1)O[C@]1(C)[C@H](C)CC[C@]21C	238780968	GKBLYWARCJKYHQ-KCPJHIHWSA-N	216.324	3.834	0	1	BHAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@](C)(O)[C@H]1CC[C@]12C	257398326	CPLGPDHGFNXBOA-XXUMUBMXSA-N	222.372	3.610	0	1	BHAF	endogenous,in-man
CCCC[C@@]1(O)C[C@H]2C[C@H]1[C@@H](C)C2(C)C	263607882	SMRFYWWGKRCKHO-NRWUCQMLSA-N	210.361	3.610	0	1	BHAF	
Cc1nc(NCc2ccccc2)nc2ccccc12	299829064	SWRKDVKIGQVVPS-UHFFFAOYSA-N	249.317	3.550	0	1	BHAF	
CC(=O)CCC=C(C)C[C@H]1CC(C)(C)CC1=O	2356398373	QUPFTDWCMKYGQM-ZDUSSCGKSA-N	236.355	3.697	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)C[C@H](O)[C@H]2C	2356672600	QJRHDLVPHNGONZ-WHOFXGATSA-N	218.340	3.603	0	1	BHAF	
CC1=C[C@H](CO)C(C)(C)[C@]12CCCC2(C)C	2356752688	KJYKEAYNZFLDKB-IUODEOHRSA-N	222.372	3.778	0	1	BHAF	
CCC[C@@H]1CCC2(CC[C@@H](CCC)O2)O1	15122093	LPKNCNDPYXUXOL-ZNRZSNADSA-N	212.333	3.641	0	1	BHAF	biogenic
COc1c(Cl)cc(Cl)cc1-c1ccc[nH]1	34294734	JEEMPCKNKFKDOD-UHFFFAOYSA-N	242.105	3.997	0	1	BHAF	
Oc1ccc(C2=CC[C@@H]3CCC[C@@H]2C3)cc1	100919359	UOOYEPOTTDZDPN-WCQYABFASA-N	214.308	3.986	0	1	BHAF	
C[C@H](c1cccc(C2(C)CC2)c1O)C1CC1	1772637489	ZYWMCDVDNOVZGC-JTQLQIEISA-N	216.324	3.957	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)[C@@H](O)C[C@@H]2C	2356483288	HTPALWBCPQXQBN-CQDKDKBSSA-N	218.340	3.603	0	1	BHAF	
CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC(=O)[C@H]3C	238778224	QGZLQHVSALKXDZ-MPXAEWJHSA-N	218.340	3.594	0	1	BHAF	
Cc1ccc2nc(-c3cnc(Cl)s3)[nH]c2c1	587022849	AFPLPFUAWWIUQM-UHFFFAOYSA-N	249.726	3.648	0	1	BHAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@](C)(O)C[C@@]12C3	2356468042	PCROEXHGMUJCDB-MIBAYGRRSA-N	222.372	3.610	0	1	BHAF	
C[C@H]1C(=CCO)CC[C@]2(C)[C@H](C)CC[C@]12C	2356510246	RMIRDGFNJKHARM-AYRXBEOTSA-N	222.372	3.778	0	1	BHAF	
CCC[C@@H]1O[C@H](c2ccco2)OC[C@H]1CC	16889952	OUGLWZHYCRWZCQ-NTZNESFSSA-N	224.300	3.520	0	3	BHAF	
Cc1coc2c1C[C@]1(C)[C@H](CCC[C@H]1C)[C@H]2O	15220940	FYJIYZRXJNERQZ-OPQSFPLASA-N	234.339	3.620	0	1	BHAF	
CCC[C@@H](c1nc2cncc(C)c2[nH]1)C(C)C	587957040	YMGYFDNNVDQAOX-LLVKDONJSA-N	231.343	3.806	0	1	BHAF	
CC(C)=CCC[C@](C)(NC=O)[C@@H]1CC=C(C)CC1	2356429046	IDWULDRBNICSKT-CVEARBPZSA-N	249.398	3.984	0	1	BHAF	
CC=C(C)C=C(C)c1oc(OC)c(C)c(=O)c1C	2356491353	IDTMJMBDTGUTDU-UHFFFAOYSA-N	248.322	3.635	0	1	BHAF	
CC(=O)CC[C@H]1[C@@H](c2cocc2C)C1(C)C	15120119	YZGADWCWZVPJOQ-QWHCGFSZSA-N	220.312	3.697	0	1	BHAF	biogenic
C[C@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]12CC[C@]3(C)O	104888612	SVURIXNDRWRAFU-YLXLXVFQSA-N	222.372	3.610	0	1	BHAF	
CCCN1CCC[C@H](c2cc(C)cc(C)c2)C1	13782158	AMPXVBOIQBSQML-HNNXBMFYSA-N	231.383	3.893	0	1	BHAF	in-vivo
CN(Cc1ccccc1)C12C[C@@H]3CC1C[C@H](C3)C2	169368692	DHLMBKWKUIPQLH-JUVOFCAFSA-N	241.378	3.697	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)CC[C@@H](C)[C@]2(O)CC1	2356610009	RLQQLZPOMNLHJN-BPLDGKMQSA-N	220.356	3.840	0	1	BHAF	
CC(C)C1=C[C@H]2[C@@H]3CC[C@@]2(C)O[C@]3(C)CC1	238731007	UMCNORHDCWNDKA-BYNSBNAKSA-N	220.356	3.936	0	1	BHAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@]3(C)O[C@@H]1C[C@@H]23	238750536	AGSIUJRIZJSXEN-BTFPBAQTSA-N	220.356	3.792	0	1	BHAF	
Cc1sc2c(c1C)CCN[C@@]21CCC1(C)C	963016237	XVIHMHIYXNPHOP-AWEZNQCLSA-N	235.396	3.526	0	1	BHAF	
CCC[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1	1857578131	DNMKVXZFABXGQL-NSHDSACASA-N	245.370	3.660	0	1	BHAF	
CC(C)c1cc(N(C)C)cc(C(C)C)c1O	13779581	BOEKREBRMTXRRJ-UHFFFAOYSA-N	221.344	3.705	0	1	BHAF	in-vivo
CC(C)=CCC[C@H](O)c1cc2cc(O)ccc2o1	14455226	PQFYUXKMWDLCDV-ZDUSSCGKSA-N	246.306	3.918	0	1	BHAF	endogenous,in-man
CN(C)[C@@]12CCCC[C@H]1CCc1ccccc12	26153375	CRRGPBAEOBRTMN-HOCLYGCPSA-N	229.367	3.580	0	1	BHAF	
Clc1nccc2[nH]c(-c3ccccc3)cc12	618012611	SLZATOZAGYVVNY-UHFFFAOYSA-N	228.682	3.883	0	1	BHAF	
COc1cc2ccccc2cc1-c1cccnc1	13674472	BOBLGZTWMWPSBX-UHFFFAOYSA-N	235.286	3.910	0	1	BHAF	
CCCc1c(CC)c2n3c1CC[C@H]3CCC2	14611851	AAILVETVJINXCS-LLVKDONJSA-N	217.356	3.827	0	1	BHAF	biogenic
CCCCCC[C@@H](CC)C(=O)CC(C)=O	15204803	XCPDYBSBMIJFCN-GFCCVEGCSA-N	212.333	3.531	0	1	BHAF	
C[C@@H]1CC[C@H]2[C@@H](C=C[C@H](C)[C@@H]2CCC(=O)O)C1	38294088	PWQNLFCXVDTJKD-QMVSFRDZSA-N	236.355	3.726	0	1	BHAF	
Nc1cc(Cl)ccc1-n1ccc2ccccc21	40566782	RNASJEQAVYFDGX-UHFFFAOYSA-N	242.709	3.866	0	1	BHAF	
CC1=CC(=O)[C@H]([C@H](C)CCC[C@H](C)C=O)CC1	14859935	XHFLMXWCAVSQNH-MJBXVCDLSA-N	236.355	3.553	0	1	BHAF	biogenic
CC1=C[C@@]2(O)[C@H](C(C)C)CC=C(C)[C@H]2CC1	14918066	KIFNZUKQSDESLM-RRFJBIMHSA-N	220.356	3.696	0	1	BHAF	biogenic
Oc1ccnc2cc(Oc3ccccc3)ccc12	100675317	XIJSXBGFRPKLGZ-UHFFFAOYSA-N	237.258	3.733	0	1	BHAF	
C[C@@H]1CCC(Nc2cc3c(cc2Cl)CCC3)=N1	142950222	VOAFBUVULMFGTC-SECBINFHSA-N	248.757	3.821	0	1	BHAF	
CC(=CCC[C@@H](C)c1ccc(C)cc1)C(=O)O	2356642480	JDKJVDRJDPKBER-GFCCVEGCSA-N	232.323	3.910	0	1	BHAF	
COC(=O)C(C)=CCC[C@H](C)c1ccc(C)cc1	2356655102	XICYLTQBNRFIHM-ZDUSSCGKSA-N	246.350	3.998	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2ccnc(Cl)c2[nH]1	586891425	QYUFORBOUZDBPL-JMCQJSRRSA-N	235.718	3.515	0	1	BHAF	
Cc1ccc([C@H](C)CC=CC(C)(C)O)cc1	2356417556	FCWODWIUPFWVDN-CYBMUJFWSA-N	218.340	3.816	0	1	BHAF	
c1ccc(NCCCCNc2ccccc2)cc1	2559933	IWGFOKDKNXXIRB-UHFFFAOYSA-N	240.350	3.991	0	1	BHAF	
CC1=CC[C@H](c2coc(CC(C)C)c2)C[C@H]1O	13376999	SNMIMWYZCXBQQW-SWLSCSKDSA-N	234.339	3.663	0	1	BHAF	biogenic,in-vitro
Cc1ccc2c(c1)[C@@H](C(C)C)CCC2=O	33951402	KIZXBPVAPQXAMH-LLVKDONJSA-N	202.297	3.711	0	1	BHAF	
CC1(C)C[C@H]2[C@@H](CC[C@@]2(C)O)[C@]2(C)C[C@@H]2C1	85551272	LKSYOLUCMPBADN-SZWZKDINSA-N	222.372	3.610	0	1	BHAF	
C[C@H]1[C@@H]2C[C@@H](C[C@@H]2[C@@H]2CCC[C@@H](O)C2)C1(C)C	14822285	BWVZAZPLUTUBKD-ZLCQRPCESA-N	236.399	3.856	0	1	BHAF	endogenous,in-man
Cc1cc(CCc2ccccc2)cc(C)c1O	40429486	OPYGHFKJUDJGLJ-UHFFFAOYSA-N	226.319	3.794	0	1	BHAF	
CC(=O)CC[C@@H](/C=C/[C@]1(C)CCCO1)C(C)C	216306490	GPNLVCAPXPSJQB-VFDMCBIDSA-N	238.371	3.753	0	1	BHAF	
CC1(C)C[C@]2(C)CC[C@@H]3[C@@H]2[C@H]1CC[C@@]3(C)O	238744287	SGFQNQLVVVMSEE-RKEKIRQTSA-N	222.372	3.610	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@@H]3CC(=O)OCC3=CC[C@H]12	238752540	LGRHALRTKURVFA-IOASZLSFSA-N	248.366	3.712	0	1	BHAF	
[C-]#[N+]c1ccc(/C=C/c2cccnc2)cc1	473114338	MVFYCHUUEPBELG-SNAWJCMRSA-N	206.248	3.803	0	1	BHAF	
CCC(=Cc1ccccc1O)c1ccncc1	2356453535	BHNJIESAHPLLFU-UHFFFAOYSA-N	225.291	3.738	0	1	BHAF	
CCCCOc1ccc(-c2[nH]ncc2C)cc1	13530233	LBNCHIKFTCJSPM-UHFFFAOYSA-N	230.311	3.564	0	1	BHAF	
CCc1ccc2nc(-c3ccccn3)ccc2c1	95607162	GTBBRBOEDKWBDJ-UHFFFAOYSA-N	234.302	3.859	0	1	BHAF	
Cc1cc(F)c2[nH]c(C3=CCCC3)nc2c1	586883083	GLVIKOUFUYSAAP-UHFFFAOYSA-N	216.259	3.578	0	1	BHAF	
CC1=C[C@@H]2C(=C(C)C)C[C@H](O)[C@H](C)[C@H]2CC1	2356672081	VYRPEQZTLXTRND-UXOAXIEHSA-N	220.356	3.696	0	1	BHAF	
FC(F)(F)c1cccc2ns[s+]c12	5810685	HLNIXDYHHKKSGB-UHFFFAOYSA-N	222.236	3.658	0	1	BHAF	
COc1c(Cl)c(C)c(Cl)c(O)c1Cl	14769846	RAJAPXXMSSDPFO-UHFFFAOYSA-N	241.501	3.669	0	1	BHAF	biogenic
Nc1cccc(-c2ccc3cc(O)ccc3c2)c1	29056183	YFMWHCZDPXYIPM-UHFFFAOYSA-N	235.286	3.795	0	1	BHAF	
CC(C)(C)c1cc2c(o1)c(N)nc1ccccc12	96914614	ATPKWYZOMZTWTH-UHFFFAOYSA-N	240.306	3.861	0	1	BHAF	
C1=Cc2c3nc4ccccc4c-3ccn2CC1	238774967	BUMQWCMXRRDROK-UHFFFAOYSA-N	220.275	3.558	0	1	BHAF	
C[C@@H]1CCCc2nc3cccc4c3c(c21)CC4	587216087	YVKFLQGKNZBDGH-SNVBAGLBSA-N	223.319	3.773	0	1	BHAF	
CO[C@@H](C)c1ccc(O)c(CC=C(C)C)c1	2356575330	JCQQBIJQJDCOAB-NSHDSACASA-N	220.312	3.608	0	1	BHAF	
CCC1=CN(Cc2ccccc2F)[CH]C=C1	2356873993	OYNGIARLKBGJSR-UHFFFAOYSA-N	216.279	3.653	0	1	BHAF	
CC1=C[C@H](O)C[C@@H](C)[C@]1(C)CCc1ccoc1	14638370	CGYPYORTCRDMNT-VHDGCEQUSA-N	234.339	3.566	0	1	BHAF	biogenic
CC1=C[C@@H]2[C@@H](C(C)=CC[C@@H]2C(C)C)[C@@H](O)C1	14918062	STLBTFMCSOXEAQ-CBBWQLFWSA-N	220.356	3.552	0	1	BHAF	biogenic,in-vitro
CC1=C[C@@H]2OC(C)(C)[C@@H]3CC[C@@H](C)[C@]23CC1	231162070	JGKMDLIITSKWAD-OSFYFWSMSA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
CC(=O)c1nc2cccc3c2c(c1C(C)C)CC3	587214287	RFCKOSRGSJODSM-UHFFFAOYSA-N	239.318	3.659	0	1	BHAF	
CC1=CC[C@H](C(C)C)[C@@H]2C[C@H](CO)CC[C@H]12	2356397174	IUKILOCAVNUEAC-TUVASFSCSA-N	222.372	3.633	0	1	BHAF	
C[C@H]1CCCCCCC=CCCC(=O)OC1	2356438222	XFZGLIZDKYUJAG-ZDUSSCGKSA-N	224.344	3.856	0	1	BHAF	
C[C@@H]1CCCC=CCCC=CC=CC(=O)O1	2356621246	SWGHGMVUPRMHSQ-CYBMUJFWSA-N	220.312	3.551	0	1	BHAF	
C/C1=C\CC[C@H](C)[C@@H](O)[C@@H]2[C@@H](CC1)C2(C)C	154302326	OAQDRZLZSMKKDK-CRADNVBUSA-N	222.372	3.776	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC(=O)[C@@H](C)C=CC1)C2(C)C	2356791677	IVSYUUYCIXEKDQ-YNEHKIRRSA-N	218.340	3.760	0	1	BHAF	
CCC[C@@]12N[C@H](Cc3ccccc31)c1ccccc12	100649348	FYZYJIPHMYDLKT-QZTJIDSGSA-N	249.357	3.931	0	1	BHAF	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](NCc1ccccc1)C2	100833436	RDMPEKVKUMKCOW-BFYDXBDKSA-N	243.394	3.991	0	1	BHAF	
CC1=CC[C@@H](C(C)C)[C@@H]2C[C@@](C)(O)CC[C@@H]12	147689996	ISOIDIYKQYJGMC-AJNGGQMLSA-N	222.372	3.776	0	1	BHAF	
Fc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1F	587967883	ULCUUXBMYUEZEU-DJLDLDEBSA-N	246.260	3.521	0	1	BHAF	
CC[C@@H](C)CCCCCC1=CCC(=O)O1	14592606	LXECKBJXFXENSF-LLVKDONJSA-N	210.317	3.814	0	1	BHAF	biogenic
Cc1coc2c1[C@@H]1OC[C@@H]3CCC[C@H](C2)[C@]31C	15160425	GVXGFKKETSYSMF-FDRIWYBQSA-N	232.323	3.638	0	1	BHAF	biogenic
c1ccc([C@@]23CCCN2CCc2ccccc23)cc1	29230747	XKOIOWGAAMZIJL-GOSISDBHSA-N	249.357	3.582	0	1	BHAF	
C[C@H](N=O)c1ncc(C(F)(F)F)cc1Cl	169690696	VKZMQLFKFPRGLT-BYPYZUCNSA-N	238.596	3.581	0	1	BHAF	
O=C(O)CCC[C@H]1CC[C@H]2[C@@H]3[C@H]4CC[C@H]4[C@H]3[C@@H]2C1	231930472	WWHSTYPFQBWANZ-RRYLXXESSA-N	248.366	3.560	0	1	BHAF	
CC(C)=C/C=C/[C@@H](C)[C@H]1CC[C@](C)(NC=O)CC1	238741607	UADNYTNHILKNEO-WWDFRNIQSA-N	249.398	3.840	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1CC(F)(F)F	587633625	HQHXMPNCQXXDRC-UHFFFAOYSA-N	231.192	3.720	0	1	BHAF	
CCCN(CCC)[C@@H]1CCc2ccsc2C1	13474741	SIPNIUHKEGJHLT-CYBMUJFWSA-N	237.412	3.727	0	1	BHAF	
CCC1(CC)C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3	95561833	UJOAOIJAOPUIOZ-KKNUOHPOSA-N	235.415	3.933	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(F)c(C)c2[nH]1	586886835	DLHCXAKWSIDKPO-OTYXRUKQSA-N	232.302	3.914	0	1	BHAF	
CCCCCCc1ccc(C2=NCCO2)cc1	1772609495	PAXWOJQMPNYOAQ-UHFFFAOYSA-N	231.339	3.586	0	1	BHAF	
CCOC(=O)[C@H]1CCCC1=Cc1ccc(C)cc1	2356829166	IVORJBXEPTVCGJ-HNNXBMFYSA-N	244.334	3.742	0	1	BHAF	
CN[C@@]1(C)c2ccccc2CCC12CCCC2	26146817	BEQBMDDGNUFTEO-HNNXBMFYSA-N	229.367	3.628	0	1	BHAF	
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([C@H]1CCC[C@@H](O)C1)C2	100049443	IGEVVMFDMLDFFU-YTBGYOSVSA-N	236.399	4.000	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@@H](C1CCC1)C4)CC2	587212629	CLMDDJWAGGBGFZ-CYBMUJFWSA-N	235.330	3.773	0	1	BHAF	
CC1(C)CCC[C@@H]2C(=O)O[C@H](c3ccoc3)C[C@H]21	14687307	FFADPQLZGWESJY-XQQFMLRXSA-N	248.322	3.710	0	1	BHAF	biogenic
c1ccc2c(c1)CC[C@@H]1[C@@H](c3ccncc3)[C@H]21	36289325	KNIGVLQBCXKAGG-BZUAXINKSA-N	221.303	3.525	0	1	BHAF	
c1ccc(-c2cccc3c2[C@@H]2CNC[C@@H]3C2)cc1	101033443	WXTSGZNDVZORJW-KBPBESRZSA-N	235.330	3.528	0	1	BHAF	
CC1(C)C[C@@H]1c1cc2c3c(cccc3n1)CC2	587212503	BIHQUWQLFWFFEW-GFCCVEGCSA-N	223.319	3.847	0	1	BHAF	
Cc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1C	587966993	JFJMBEBEDWFOAX-YNEHKIRRSA-N	238.334	3.859	0	1	BHAF	
CC=CCCCCCCCCOC(C)=O	2356660247	IOWSUZZEPMULFR-UHFFFAOYSA-N	212.333	3.856	0	1	BHAF	
CC1(C)[C@@H]2CC[C@]3(C)CCC[C@]3(C)[C@@H](O)[C@H]21	2356787909	BTBQMFYSHNODBW-FUQNVFFISA-N	222.372	3.610	0	1	BHAF	
Cc1coc2c1C[C@]1(C)[C@@H](C)CCC[C@@H]1[C@H]2O	6005426	FYJIYZRXJNERQZ-XTWPYSKKSA-N	234.339	3.620	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)[C@](C)(NC=O)CC[C@@H]2C(C)C	140105748	JFGKGKDGBRCGJD-FXUDXRNXSA-N	249.398	3.530	0	1	BHAF	
CCCC/C=C\c1nc2c(C)nc(C)cc2[nH]1	587966974	ZXQYOKYERWRHME-FPLPWBNLSA-N	229.327	3.778	0	1	BHAF	
C[C@H]1[C@H]2C(=O)C[C@H]3[C@H]2C(C)(C)CCC[C@@]13C	2356292968	XROGGPRBZBLTOH-CNQMMGNNSA-N	220.356	3.674	0	1	BHAF	
C[C@@H]1CCCC2=CC=C[C@H](C(C)(C)O)[C@]21C	14612488	NAMGLFWPKVHQKV-KYOSRNDESA-N	220.356	3.696	0	1	BHAF	biogenic
O=C(O)c1cc2c(ccc3ccccc32)s1	39402242	PCMJXXBWLSRGEV-UHFFFAOYSA-N	228.272	3.753	0	1	BHAF	
CC(C)=CCC[C@]1(C)CC[C@@](C)(O)[C@H]2C[C@H]21	238783233	PFCPCHNLDBDZOS-LXTVHRRPSA-N	222.372	3.920	0	1	BHAF	
CC(C)c1nc(C=O)cc2c1[nH]c1ccccc12	1857645949	KPHAPAJGZUKYGP-UHFFFAOYSA-N	238.290	3.652	0	1	BHAF	
CC1=C[C@H]2c3cc(O)ccc3OC(C)(C)[C@H]2C=C1	2356624782	OXTPGPPCBJDVHZ-JSGCOSHPSA-N	242.318	3.779	0	1	BHAF	
C[C@]12N[C@H](C[C@@H]3CCCC[C@@H]31)[C@@H]1CCCC[C@@H]12	13887106	FHRWBXVLMJUUQU-OHQCYIMMSA-N	233.399	3.733	0	1	BHAF	
C/C(=C\CC[C@H](C)CCO)CCCC(C)(C)O	15214208	POJZZBGTYFIPQO-GUNGLEHYSA-N	242.403	3.673	0	1	BHAF	
Oc1ccc2ccc(-c3cccnc3)c(F)c2c1	96282822	NVDJGCDUAXDWHH-UHFFFAOYSA-N	239.249	3.747	0	1	BHAF	
C[C@@H]1[C@H]2c3ccccc3C[C@@H](c3ccccc32)N1C	169476732	GSOKUGXLPOWMGZ-UUWFMWQGSA-N	249.357	3.750	0	1	BHAF	
C=CC(C)=C[C@@H]1C[C@@H](C)CC[C@H]1C(C)(C)O	2356643133	ITCKYIKWIXYNIJ-BFHYXJOUSA-N	222.372	3.942	0	1	BHAF	
C=C1CC[C@H](O)[C@@]2(C)CC[C@@H](C(C)C)C=C12	15206966	SKTNVTDTHGDEEV-SNPRPXQTSA-N	220.356	3.696	0	1	BHAF	biogenic
CC1(C)CCC[C@@]1(C)[C@H]1C=C[C@@](C)(O)CC1	34583818	SGAVEYGCXUNESW-CFVMTHIKSA-N	222.372	3.920	0	1	BHAF	
CC1(C)CC=C[C@]23C=Cc4ccoc4[C@H]2[C@H]13	140176696	KINLNJHMSZLRAC-LNSITVRQSA-N	212.292	3.992	0	1	BHAF	
C/C(=C\c1ccc(Cl)cc1)[C@@H](C)N=O	169722627	KKWDVPSRWHSHCQ-FCZSHJHJSA-N	209.676	3.898	0	1	BHAF	
Cc1cc(C(=O)C(C)C)cc2c1C(=O)C[C@@H]2C	238771191	ZWJSUOSVATYKDM-VIFPVBQESA-N	230.307	3.524	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1N1CCC[C@H](C)C1	587636804	JKGRKYQDTBOFLC-JTQLQIEISA-N	246.329	3.852	0	1	BHAF	
CC[C@H](C)c1nc2ccc(C(C)(C)C)nc2[nH]1	587954663	AIBJDZBUCXZBMG-VIFPVBQESA-N	231.343	3.769	0	1	BHAF	
CC(=O)O[C@H](C)C=C(C)CCC=C(C)C	2356285628	AZPPBYINNXLPQZ-GFCCVEGCSA-N	210.317	3.631	0	1	BHAF	
CCCC(CCC)c1nc2cc[nH]cc-2n1	100638595	LQOSJKZBGGYTME-UHFFFAOYSA-N	217.316	3.593	0	1	BHAF	
C/C(=C/CCC(C)C)c1ccc(C(=O)O)cc1O	238735557	YAENMSVMNMYVJB-WDZFZDKYSA-N	248.322	3.930	0	1	BHAF	
C/C=C/C=C\c1cc2c3c(cccc3n1)CC2	587213620	LADPBFWKHCISAA-SWBALALESA-N	221.303	3.923	0	1	BHAF	
C[C@@H]1CC[C@@H]2[C@H]3C(C)(C)C[C@]2(C)CC[C@]31O	238771035	JHDRSBFWLKWPRQ-RKEKIRQTSA-N	222.372	3.610	0	1	BHAF	
Cc1ccc2ccc(-c3ccccc3)nc2n1	13579537	BGLSJWRWFABGNC-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	in-vivo
CCCC[C@]1(O)C[C@H]2C[C@@H]1[C@@H](C)C2(C)C	16958540	SMRFYWWGKRCKHO-BYNQJWBRSA-N	210.361	3.610	0	1	BHAF	
CCCCCC[C@H]1CN(c2ccccc2)C(=O)O1	49069094	VSVXANNIGPUQAD-AWEZNQCLSA-N	247.338	3.982	0	1	BHAF	
Cc1c(-c2cccnc2)[nH]c2cccc(F)c12	116647069	GYUOOLLNGGEHMQ-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
CCCC1(c2nc3cc(Cl)ncc3[nH]2)CCC1	586877788	PMLLSJJXUSXZMQ-UHFFFAOYSA-N	249.745	3.833	0	1	BHAF	
CC1=CCC(C)(C)CC2=C(C[C@@H]2C)C[C@@H]1O	2356689975	HKOYGJNJKYCWBP-FZMZJTMJSA-N	220.356	3.840	0	1	BHAF	
C/C(=C\C(=O)O)CC/C=C(\C)Cc1cc(C)co1	205206140	LRCQQSAJUDEJII-HQOQYNLBSA-N	248.322	3.888	0	3	BHAF	
CCC[C@H]1O[C@H](c2ccco2)OC[C@@H]1CC	1874329	OUGLWZHYCRWZCQ-DMDPSCGWSA-N	224.300	3.520	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC1)C(C(=O)O)=CC[C@@H]2C(C)C	13381220	WMNZIVZTRJKKHL-BZPMIXESSA-N	234.339	3.646	0	1	BHAF	biogenic
C=CCCC[C@H](C)[C@@H]1CCC(C)=CC1=O	14592372	CMFRIKLCLXGUBM-STQMWFEESA-N	206.329	3.904	0	1	BHAF	biogenic
CC[C@@H](C)CCCC[C@@H]1CCCC(=O)O1	14724239	UXLFQDAATOVVOK-VXGBXAGGSA-N	212.333	3.689	0	1	BHAF	biogenic
C[C@@H]1CCCC2=CC[C@H](C(C)(C)O)C[C@]21C	15201092	KEBVXBNFLKYWDP-ZLDLUXBVSA-N	222.372	3.920	0	1	BHAF	biogenic
CC1(C)CC2=Nc3ccccc3NCC2=C(O)C1	101477985	HEGJFXWVYUUEFP-UHFFFAOYSA-N	242.322	3.817	0	1	BHAF	
Cc1cccc2nc(/C=C/c3ccc(N)cc3)[nH]c12	587251324	CRVNLQGGKWAGTH-JXMROGBWSA-N	249.317	3.624	0	1	BHAF	
Cc1[nH]c2cccc(F)c2c1C(F)(F)F	587634397	XLGGRJRRFKWQKR-UHFFFAOYSA-N	217.165	3.634	0	1	BHAF	
C[C@@H]1CCC[C@](C)(O)C[C@H]2[C@H](CC1)C2(C)C	2356732842	ACQCKSNSPHLAFM-OSFYFWSMSA-N	224.388	4.000	0	1	BHAF	
Cc1ccc([C@]2(C)CC[C@]3(C)O[C@@]32C)cc1	13412554	KACIPUBUINXLKX-SOUVJXGZSA-N	216.324	3.594	0	1	BHAF	biogenic
CCc1ccc(Cc2ccc(F)cc2)c(O)c1	28761158	JSNRRHJHPCGDIB-UHFFFAOYSA-N	230.282	3.685	0	1	BHAF	
c1ccc2c(c1)[C@@H]1CC[C@@]2(N2CCCCC2)C1	13777944	ADYWIWWZHCTASJ-CZUORRHYSA-N	227.351	3.649	0	1	BHAF	
C[C@]12C[C@@H]1CCc1c2nc2cccc3c2c1CC3	587215993	XSTLOCBCTKDJKN-GTNSWQLSSA-N	235.330	3.557	0	1	BHAF	
C[C@@]12CCC[C@H]3C[C@H]1C1(CCCC1)[C@@H](O)[C@]32C	2356656053	ORPPLZUJDYELBH-ZQNQSHIBSA-N	234.383	3.754	0	1	BHAF	
CC1(C)CC=C[C@]2(C)C[C@H](CO)C(C)(C)[C@@H]12	2356668141	FZQSFFXBKWKOFG-LALPHHSUSA-N	222.372	3.633	0	1	BHAF	
C[C@H]1[C@H]2C[C@H](C[C@@H]2[C@@H]2CCC[C@H](O)C2)C1(C)C	6067079	BWVZAZPLUTUBKD-MZHQWRCYSA-N	236.399	3.856	0	1	BHAF	in-man
COc1cccc2c1/C(=C/c1cccnc1)CC2	13610819	VTCRFWNOJMKNRS-GXDHUFHOSA-N	237.302	3.577	0	1	BHAF	in-vivo
CCCCC(=O)O[C@@H]1[C@@H]2CC=C(C)[C@H]1C2(C)C	34951163	VTUXPTJOYLXSHN-IACUBPJLSA-N	236.355	3.711	0	1	BHAF	
CC1=CC[C@@H]2C[C@@H]1[C@@]2(C)CC/C=C(\C)C(=O)O	104369817	CTORLPNPQPAKGI-USNDISCDSA-N	234.339	3.790	0	1	BHAF	in-man
C[C@H](C(=O)O)c1ccc2c(c1)C[C@H]1CCCC[C@@H]21	169318774	HNEPTMLCGOUKJY-ZKYQVNSYSA-N	244.334	3.705	0	1	BHAF	
CC1=C2C[C@H](C(C)(C)O)CC[C@H](C)[C@@H]2CC1	210478383	QWMCMMDXNNGJGG-UHTWSYAYSA-N	222.372	3.920	0	1	BHAF	
Cc1cc(C=O)c2c(C)cc3c(cc1-2)[C@H](C)CO3	2356644207	WRIJUQFHZMTCMT-LLVKDONJSA-N	240.302	3.717	0	1	BHAF	
C[C@H](O)[C@H](C)CC=CC=Cc1ccccc1	2356657300	ARROMLOSFCWJKF-KGLIPLIRSA-N	216.324	3.663	0	1	BHAF	
Cc1ccc2nc(C=C3CCC3)[nH]c2c1C	587964929	JSORYPFJIVBCLU-UHFFFAOYSA-N	212.296	3.747	0	1	BHAF	
Clc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	587966352	DAZMVMDXDAZVJO-IQJOONFLSA-N	244.725	3.896	0	1	BHAF	
C[C@H]1CCC2=C(C(=O)O)C(C)(C)CC[C@]21C	2356848663	PHGGTDBZXHQBFS-XPTSAGLGSA-N	222.328	3.624	0	1	BHAF	
COc1ccc(N(C)Sc2ccccc2)cc1	1634518	PWKYFGITWBBXDR-UHFFFAOYSA-N	245.347	3.839	0	1	BHAF	
Cc1ccc(OCC(=O)O)c(C2CCCCC2)c1	28948337	QMGSFVNEZAIRGD-UHFFFAOYSA-N	248.322	3.506	0	1	BHAF	in-vivo
CN(C)CC1(c2ccc(F)cc2)CCCCC1	66073973	FVPYKEUHDWGTTO-UHFFFAOYSA-N	235.346	3.589	0	1	BHAF	
COc1cccc(-c2coc3ccccc23)n1	1239051842	FPZUWLNIQZVIKG-UHFFFAOYSA-N	225.247	3.503	0	1	BHAF	
CC1=CCC2=C(C)C[C@H]3OC(=O)C(C)=C3C[C@@]12C	2356450151	JTFFVJQNSXOGKP-ZBFHGGJFSA-N	244.334	3.695	0	1	BHAF	
CCCN1CCC[C@@H](c2ccc(C)cc2)C1	13492910	YKJIISOOHAYDGR-OAHLLOKOSA-N	217.356	3.584	0	1	BHAF	
C[C@@H]1CCC=C2CCC[C@H]([C@@]3(C)CO3)[C@]21C	15169713	HFUMDMHDBUAFIJ-NGFQHRJXSA-N	220.356	3.938	0	1	BHAF	biogenic
CCN(C)[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	27645863	UCTCXOLUFQJROF-LXZKKBNFSA-N	241.378	3.820	0	1	BHAF	
CCc1ccc2cc([C@H](C)C(=O)O)ccc2c1	59997634	YZDKUMBJSGZWRL-JTQLQIEISA-N	228.291	3.590	0	1	BHAF	
CCCOCCC1=CC[C@@H]2C[C@@H]1C2(C)C	101138129	WTSLBPFZKIMMLD-OLZOCXBDSA-N	208.345	3.796	0	1	BHAF	
Cc1ccc([C@]2(C)CCCC=C2C(=O)O)cc1C	142565458	LQNFBDBDXTXPDV-INIZCTEOSA-N	244.334	3.756	0	1	BHAF	
Cc1ccc(Cl)c(NC2=N[C@@H](C)CC2)c1	143102122	QQARYPWIHQZGRL-VIFPVBQESA-N	222.719	3.641	0	1	BHAF	
Cc1coc2c1[C@@H]1CC(=O)[C@@H]3CCC[C@H](C2)[C@@]31C	238755029	JQJNCXMUXHAAPZ-YRORDHRNSA-N	244.334	3.623	0	1	BHAF	
CC(C)=C[C@@H](O)C[C@@H](C)c1ccc(C)cc1O	238776911	DAFWWLAEHTUEEF-CHWSQXEVSA-N	234.339	3.521	0	1	BHAF	
CC1=C[C@@H]2[C@H](CCC(C)=CCC1)[C@]2(C)CO	2356385324	XQMLUDKCNROUCA-ZNMIVQPWSA-N	220.356	3.698	0	1	BHAF	
CC1=C[C@H]2[C@@H](CC1)C(C)=CC[C@]2(O)C(C)C	13381202	KITGSZPHAYLHEM-KKUMJFAQSA-N	220.356	3.696	0	1	BHAF	
C[C@H](c1ncc[nH]1)c1cccc2ccccc12	13450514	WCIDBLYFACGZGW-NSHDSACASA-N	222.291	3.715	0	1	BHAF	
CCN(C)C[C@H]1C[C@@H]1c1cccc2ccccc12	28960267	HPZAIKAZTLALFB-PBHICJAKSA-N	239.362	3.895	0	1	BHAF	
[C-]#[N+]c1cccc(/C=C/c2ccncc2)c1	473115234	QUWJDISONSLZFM-AATRIKPKSA-N	206.248	3.803	0	1	BHAF	
c1ccc(C2(N3CCCCC3)CCCC2)cc1	29218403	KNZVHCGBSJFKIX-UHFFFAOYSA-N	229.367	3.942	0	1	BHAF	
CC[C@H](c1ccc(Cl)cc1)[C@H]1CCCCN1	35090378	CJUVIUZOUUBMJB-ZIAGYGMSSA-N	237.774	3.976	0	1	BHAF	in-vivo
Cc1ccc(OC(=O)Oc2cccc(C)c2)cc1	102219124	IGZFOUCINJLZGS-UHFFFAOYSA-N	242.274	3.881	0	1	BHAF	
[C-]#[N+]c1ccccc1/C=C/c1cccnc1	473113886	KOYKLIQYCSIDTF-CMDGGOBGSA-N	206.248	3.803	0	1	BHAF	
CCCC/C=C/c1nc2cc3cn[nH]c3cc2[nH]1	587965369	KUKRPVYXKNDYIO-AATRIKPKSA-N	240.310	3.643	0	1	BHAF	
CCOc1cccc(-c2ccc3c[nH]nc3c2)c1	1240557504	HXDQEXAPXWRETP-UHFFFAOYSA-N	238.290	3.629	0	1	BHAF	
CC1=CC[C@]2([C@]3(C)CCC(=O)C3(C)C)C[C@H]12	2356554723	WGRPUSWOQOBTEG-DFBGVHRSSA-N	218.340	3.738	0	1	BHAF	
Cc1ccc2c(c1)O[C@@]1(C)[C@@H](C)CC[C@@]21C	13370959	GKBLYWARCJKYHQ-CQDKDKBSSA-N	216.324	3.834	0	1	BHAF	
CC1=C[C@@H]2[C@@H](CC1)C(C)=CC[C@]2(O)C(C)C	13381201	KITGSZPHAYLHEM-ZNMIVQPWSA-N	220.356	3.696	0	1	BHAF	biogenic
Cc1coc2c(O)c3c(c(C)c12)C(=O)CC[C@@H]3C	238775215	BDSJUQVHHBRBAC-ZETCQYMHSA-N	244.290	3.835	0	1	BHAF	
Clc1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587967765	RULWXVXNAWJXFZ-IVZWLZJFSA-N	244.725	3.896	0	1	BHAF	
CN1CCS[C@@H](c2ccc3ccccc3c2)C1	1857620689	JQPWZAKCINSUDC-OAHLLOKOSA-N	243.375	3.560	0	1	BHAF	
C[C@@H]1CC[C@]2(O)[C@@H]1CC(C)(C)C[C@H]1C[C@@]12C	2356422585	DWXUKGQAPQEPTH-MIBAYGRRSA-N	222.372	3.610	0	1	BHAF	
C/C=C\c1nc2ccccc2n2cccc12	28642379	GJGWJLIZBVKYPA-KXFIGUGUSA-N	208.264	3.521	0	1	BHAF	
O=C(O)CCCCCCCCCC/C=C/CO	33822260	ICTIYYVVZNILKD-PKNBQFBNSA-N	242.359	3.521	0	1	BHAF	
CCCNc1nccc2[nH]c3ccccc3c12	40845343	QMHBXWJLIZCXMT-UHFFFAOYSA-N	225.295	3.538	0	1	BHAF	
CCc1cccc(-c2ccnc3[nH]cc(C#N)c23)c1	219690589	KBHSVDKRLSYHJD-UHFFFAOYSA-N	247.301	3.664	0	1	BHAF	
CC(C)C1=C[C@]2(NC=O)[C@H](C)CCC[C@]2(C)CC1	2356796870	NOPZWTVBAVQKHG-BMFZPTHFSA-N	249.398	3.674	0	1	BHAF	
CC(C)=C[C@H](O)C[C@@H](C)c1ccc(C)cc1	13377435	NRBFEAZFHRHFFQ-HIFRSBDPSA-N	218.340	3.816	0	1	BHAF	endogenous,in-man
O/C(=C/c1ccccn1)c1ccccc1Cl	100055173	JDOIUXOVCMSSKD-UKTHLTGXSA-N	231.682	3.791	0	1	BHAF	
CCCC1(c2nc3ccc(Cl)nc3[nH]2)CCC1	586877562	DPARZPXFBGJQAS-UHFFFAOYSA-N	249.745	3.833	0	1	BHAF	
COc1ccc2c(c1)CCC(c1ccncc1)=C2	13684544	QCWIENOGGDTTEN-UHFFFAOYSA-N	237.302	3.577	0	1	BHAF	in-vivo
CC[C@@H](C)c1nc2ccc(F)c(C)c2[nH]1	587955746	LJVINNMLBKJFON-SSDOTTSWSA-N	206.264	3.524	0	1	BHAF	
Cc1ccc2c(c1)[nH]c1cc(F)cc(F)c12	653716239	BBWBVKSZJAQXOB-UHFFFAOYSA-N	217.218	3.908	0	1	BHAF	
CC1=C[C@H]2[C@H](CC1)[C@](C)(O)CC[C@@H]2C(C)C	9222069	LHYHMMRYTDARSZ-APIJFGDWSA-N	222.372	3.776	0	1	BHAF	biogenic,in-vitro
C[C@@H]1CCC[C@@]23CC[C@@H](C[C@@]12C)[C@@](C)(O)C3	14517613	NOIYPYZTDMDJHQ-QTVXIADOSA-N	222.372	3.754	0	1	BHAF	biogenic
Cc1cccc(C2=C[C@H](C)c3cccnc3N2)c1	100801099	JIOPAIHBJURUGO-LBPRGKRZSA-N	236.318	3.960	0	1	BHAF	
CCC/C=C/C=C\C=C\C(=O)N1C=CCCC1	13433803	MYQLSFPPFMXWEZ-YXMVYKBFSA-N	231.339	3.591	0	1	BHAF	endogenous,in-man
CNC[C@H]1CC2c3ccccc3C1c1ccccc12	13976511	SBROCGLNCOMPMN-RGZNSWCXSA-N	249.357	3.503	0	1	BHAF	
CCCC/C=C/c1nc2ccnc(Cl)c2[nH]1	587965360	KOVQJBFAMIKESQ-AATRIKPKSA-N	235.718	3.815	0	1	BHAF	
CC1=C[C@@H]2[C@H](CC(=O)[C@H](C)C=CC1)C2(C)C	2356791675	IVSYUUYCIXEKDQ-UPJWGTAASA-N	218.340	3.760	0	1	BHAF	
Cc1ccc(C)c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1	442306	VMNUJZBAOUTBFJ-BFHYXJOUSA-N	243.350	3.678	0	1	BHAF	
c1cncc([C@@H]2[C@H]3c4ccccc4CC[C@@H]23)c1	13746667	QRKOWDMRFAGLGC-JYJNAYRXSA-N	221.303	3.525	0	1	BHAF	
CC1=CC2=C([C@H](C)CO)CC[C@@H](C)[C@@H]2CC1	14918002	GDKHIWBIRLCZPE-UPJWGTAASA-N	220.356	3.698	0	1	BHAF	biogenic
Cc1coc2c1[C@@H](O)[C@@]1(C)[C@@H](C)CCC[C@@H]1C2	15220875	ANKFPIBCTISOBX-DRABBMOASA-N	234.339	3.620	0	1	BHAF	endogenous,in-man
CCCC/C=C\c1nc2cccc(F)c2[nH]1	587965451	MITLSLSFIHUQSR-UITAMQMPSA-N	218.275	3.905	0	1	BHAF	
CCCCC/C=C/c1c(OC)cc(=O)oc1C	26638797	AQYKDMTVSINAGR-CMDGGOBGSA-N	236.311	3.550	0	1	BHAF	
CCCN[C@H](CC)Cc1ccc(SC)cc1	48998365	BVNCGPDTVNALJQ-CYBMUJFWSA-N	237.412	3.729	0	1	BHAF	in-vivo
Fc1cccc(CN2C3CC4CC(C3)CC2C4)c1	72104704	HTDIUQCBNGOYTP-UHFFFAOYSA-N	245.341	3.589	0	1	BHAF	
C[C@]12N[C@@H](Cc3ccccc31)C[C@@H]1CCCC[C@@H]12	169359835	DMDUWMGEBWRLLD-OTRWWLKZSA-N	241.378	3.626	0	1	BHAF	
COc1ccc2[nH]c3c(OC)cc(C)cc3c2c1	13334731	LJVAJOOKSNRHMO-UHFFFAOYSA-N	241.290	3.647	0	1	BHAF	biogenic
c1ccc([C@H]2[C@H]3CCc4ccccc4[C@H]32)nc1	27901033	JHBQXWSFWPQARO-NUEKZKHPSA-N	221.303	3.525	0	1	BHAF	
CC(C)=CCn1cc(CN(C)C)c2ccccc21	84704905	USBUQYKBFVHWHJ-UHFFFAOYSA-N	242.366	3.669	0	1	BHAF	
CC1(C)[C@H]2CC[C@@]3(C)CCC[C@](C)(O)[C@H]3[C@H]21	136750162	CJRKEDMYNFITCQ-JVSQWTDWSA-N	222.372	3.610	0	1	BHAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(F)c(F)c2[nH]1	586888321	IOPSZQIMKRWXOE-FUXBKTLASA-N	236.265	3.745	0	1	BHAF	
CC[C@@H](C)c1nc2ccc3c(c2[nH]1)CCCC3	587956681	UNLLBECDINRECN-SNVBAGLBSA-N	228.339	3.955	0	1	BHAF	
Cc1nc(C2CC2)cc2nn(-c3ccccc3)cc12	1857769338	XKGQGWNEMTXXAM-UHFFFAOYSA-N	249.317	3.606	0	1	BHAF	
Cc1ccc2c(c1)[C@@H](C(C)C)CC[C@@]2(C)O	13381542	MTOMOICLIZNIAM-IUODEOHRSA-N	218.340	3.736	0	1	BHAF	biogenic
Cc1cccc2c1-c1cccc3c1[C@@H](C2)N(C)CC3	13757612	IVHTVHNCRZDRRG-MRXNPFEDSA-N	249.357	3.747	0	1	BHAF	
Cn1ccc(-c2cccc(C(F)(F)F)c2)c1	29130962	GGBYQYKDDZYQSF-UHFFFAOYSA-N	225.213	3.711	0	1	BHAF	
C[C@@H]1CC[C@@H]2C[C@]3(C)C[C@H]3C(C)(C)C[C@@]12O	2356478521	HJRGEXWNMQQNJV-GGUBGCTKSA-N	222.372	3.610	0	1	BHAF	
CC(=O)Nc1ccccc1C=Cc1ccccc1	3844622	OGUQXZFCZBRSRA-UHFFFAOYSA-N	237.302	3.815	0	1	BHAF	biogenic
Cc1cccc(-c2ccc3cccnc3n2)c1	28826015	VOPUZVINSLDWHQ-UHFFFAOYSA-N	220.275	3.605	0	1	BHAF	in-vivo
CC(=CCC[C@@H](C)[C@H]1C2C[C@H]3[C@@H](C2)C13C)CO	2356596889	UWSUGXFVYBVFDX-HRGZNFFDSA-N	234.383	3.633	0	1	BHAF	
Clc1cncc2c1Sc1ccccc1N2	127243	YDWUJLGDWINPFI-UHFFFAOYSA-N	234.711	3.943	0	1	BHAF	
C=C[C@@H]1O[C@H](C)[C@@H]2C[C@@H](C(C)C)CC2=C1C	14439929	BQYBPRDNNXMGLD-DHMWGJHJSA-N	220.356	3.958	0	1	BHAF	biogenic
CCCc1ccc(Oc2ccccc2O)c(O)c1	14944307	BMJCPKXFEMWDDF-UHFFFAOYSA-N	244.290	3.843	0	1	BHAF	
O=C(c1ccc(OCC2CCCC2)cc1)C1CC1	28528143	FDELZVIUMOWGIZ-UHFFFAOYSA-N	244.334	3.848	0	1	BHAF	
Cc1c(-c2ccc(O)cc2)[nH]c2ccccc12	39233948	MEQJMCQAGIEFHG-UHFFFAOYSA-N	223.275	3.849	0	1	BHAF	
C/C1=C\CC[C@H](C)[C@H](O)[C@@H]2[C@@H](CC1)C2(C)C	238755887	OAQDRZLZSMKKDK-ZBMQLSEJSA-N	222.372	3.776	0	1	BHAF	
CCCCOc1cc2c(cn1)[nH]c1ccccc12	6869004	UARMCWOWRLFTFP-UHFFFAOYSA-N	240.306	3.895	0	1	BHAF	in-vivo
C[C@H]1CCC=C2CC[C@H](C(C)(C)O)[C@@H](C)[C@@H]21	33832211	YEDSHUOBTRDKLW-XCCSTKFXSA-N	222.372	3.776	0	1	BHAF	biogenic,in-vitro
CC(C)[C@@H](C)Nc1cc(-c2ccccc2)ncn1	82162313	WCYUCCYJDCHASP-GFCCVEGCSA-N	241.338	3.600	0	1	BHAF	
CC(C)(C)c1[nH]ccc2c3ccccc3nc1-2	100761577	DZFFNHIUQGTSHG-UHFFFAOYSA-N	224.307	3.965	0	1	BHAF	
CCO/C(O)=C1\Sc2cc(C)ccc2N=C1C	104095424	PGDJFUSTPHYOHG-SEYXRHQNSA-N	249.335	3.957	0	1	BHAF	
c1cc2ccc(Nc3ccc4cc[nH]c4n3)cc2[nH]1	144847614	HQUBKYOIMZPGAN-UHFFFAOYSA-N	248.289	3.788	0	1	BHAF	
C1CC[C@@H](C[C@H](C2CCCC2)C2CC2)NC1	1772577792	NYRSPWSFCYBJRQ-LSDHHAIUSA-N	221.388	3.735	0	1	BHAF	
CC1=C[C@@H]2[C@@H](C(C)C)CC[C@@H](C)[C@@]2(O)CC1	13381724	COGPRPSWSKLKTF-TUVASFSCSA-N	222.372	3.776	0	1	BHAF	in-man
COc1ccc(-c2nc3ccccc3o2)cc1C	28964908	PARIYMJWWVGCKJ-UHFFFAOYSA-N	239.274	3.812	0	1	BHAF	
Cc1cc(/C=C/c2ccncc2)cc(C)c1O	29557869	NCQKHEJJKLSOGH-ONEGZZNKSA-N	225.291	3.574	0	1	BHAF	
c1ccc(-c2cccc(-c3cccs3)n2)nc1	40391256	BVRGSBHPVXHTHR-UHFFFAOYSA-N	238.315	3.872	0	1	BHAF	
Oc1ccc(-c2nc3ccccc3[nH]2)c(Cl)c1	587053833	IYKBQPLZBIDCHV-UHFFFAOYSA-N	244.681	3.589	0	1	BHAF	
CO[C@]1(C)C[C@@H]2C(=CC1=O)C(C)=CC[C@@H]2C(C)C	14445020	WNVGXIGDSODCRK-IVMMDQJWSA-N	248.366	3.529	0	1	BHAF	biogenic
CCCCCOc1ccc(C(=O)CC)c(O)c1	169344748	UDBUEJNWSOHJQD-UHFFFAOYSA-N	236.311	3.554	0	1	BHAF	
CC[C@@H](C)c1nc2c(Cl)cnc(Cl)c2[nH]1	587955655	KGULQBHLECJHQU-RXMQYKEDSA-N	244.125	3.778	0	1	BHAF	
C=C(C)C(=O)[C@@H]1CCC2=CCC[C@H](C)[C@]21C	13385645	BBPWHBFXPZVFJI-CORIIIEPSA-N	218.340	3.904	0	1	BHAF	biogenic
CCCc1nccc2c1[nH]c1cc(F)ccc12	13587079	SHCOSZPBCDYJCX-UHFFFAOYSA-N	228.270	3.808	0	1	BHAF	
CCC[C@@H](c1nc2c(C)nccc2[nH]1)C(C)C	587954658	AEWYBJDSQOLWSI-LLVKDONJSA-N	231.343	3.806	0	1	BHAF	
CCCCOc1ccc(-c2cocn2)cc1	13530186	LSDRRJJMBIDABR-UHFFFAOYSA-N	217.268	3.521	0	1	BHAF	
Cc1ccc2ccccc2c1[C@H]1CC=CC(=O)O1	40845114	NRBYLRIBVNIKBN-CQSZACIVSA-N	238.286	3.692	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2cc(F)c(F)cc2[nH]1	586893458	XYXDGPBHXWAHGI-WPPNPWJKSA-N	236.265	3.745	0	1	BHAF	
CCc1ccc2nc(C=C3CCC3)[nH]c2c1	587965624	VBXKQQUALKUOIL-UHFFFAOYSA-N	212.296	3.693	0	1	BHAF	
CC(=O)c1cc(-c2cccs2)c2ccccn12	653716260	HVSSZTVSUPRWAL-UHFFFAOYSA-N	241.315	3.870	0	1	BHAF	
CC(C)(C)C(=O)N1CCCC[C@H]1c1ccccc1	1857614107	QDFXDFSFZJNYJA-AWEZNQCLSA-N	245.366	3.786	0	1	BHAF	
CC1=CCC[C@H](C)[C@H](O)[C@H]2[C@H](CC1)C2(C)C	2356580307	OAQDRZLZSMKKDK-FQUUOJAGSA-N	222.372	3.776	0	1	BHAF	
CN(C)CCc1c[nH]c2ccc(C(C)(C)C)cc12	17644	HDRWZHXQBFCRDG-UHFFFAOYSA-N	244.382	3.570	0	1	BHAF	
CC(C)[C@H]1CC[C@H](C)[C@@H]2CC[C@](C)(O)C=C21	13381753	IHEUASSNMSDWFX-XFMPKHEZSA-N	222.372	3.776	0	1	BHAF	
CCCN(CCC)[C@H]1C[C@@H]1c1ccsc1	13755501	UZGBLHIJMBPRON-OLZOCXBDSA-N	223.385	3.726	0	1	BHAF	
C=C1CC[C@H](C(C)C)[C@@H]2[C@H]1CC(=O)[C@@H]2CC	14618377	FEVSDGLWKNZTPF-SFDCQRBFSA-N	220.356	3.840	0	1	BHAF	biogenic
CC1=CC[C@]2(C)C(=C(C)[C@@H](O)C[C@H]2C)CC1	14649720	PYNBPBFJIFSMEA-UGFHNGPFSA-N	220.356	3.840	0	1	BHAF	biogenic
C=C(C)[C@H]1CCC(C)=CCC[C@H]2C=C1OC2=O	15255830	KRUFLIKMAWYHTI-QWHCGFSZSA-N	232.323	3.756	0	1	BHAF	biogenic
CC1=C[C@H]2OC(C)(C)[C@H]3CC[C@@H](C)[C@]32CC1	100829367	JGKMDLIITSKWAD-RGCMKSIDSA-N	220.356	3.936	0	1	BHAF	endogenous,in-man
C[C@H](CO)[C@@H]1CC[C@H](C)[C@H]2CC[C@@H](C)C[C@@H]12	238738460	KGIBMKUEWBYMCC-ZAQNNHEOSA-N	224.388	3.713	0	1	BHAF	
Cc1ccc(C)c2[nH]c([C@@H]3C[C@@H](C)CCO3)nc12	586916994	JRWHILPNDNBJMX-CABZTGNLSA-N	244.338	3.667	0	1	BHAF	
C[C]1C=CC(C)=CN1CC(=O)c1ccc(C)cc1	2356862721	HFUGZTSJKBHXDB-UHFFFAOYSA-N	240.326	3.505	0	1	BHAF	
C[C@H]1Cc2ccccc2C=C1c1cccnc1	13684526	ARDWAGDGUKXSPH-LBPRGKRZSA-N	221.303	3.814	0	1	BHAF	in-vivo
CCCC[C@H]1CCC[C@]2(CC[C@@H](C)O2)O1	14917068	YJXRBYWOYOXYFN-FRRDWIJNSA-N	212.333	3.641	0	1	BHAF	
CCN[C@]12CCCC[C@H]1Cc1c(C)cccc12	27721558	XWOSLZNZXCPJMK-XJKSGUPXSA-N	229.367	3.546	0	1	BHAF	
c1cncc([C@@H]2[C@H]3CCc4ccccc4[C@@H]32)c1	100053388	QRKOWDMRFAGLGC-OAGGEKHMSA-N	221.303	3.525	0	1	BHAF	
C[C@@]12N[C@H](C[C@@H]3CCCC[C@@H]31)[C@@H]1CCCC[C@@H]12	194849055	FHRWBXVLMJUUQU-VNAATALASA-N	233.399	3.733	0	1	BHAF	
CC1(C)[C@@H]2[C@H]1CC=C1CCC[C@](C)(O)[C@@]12C	238748881	INNGXJWTLWOYKO-DHMWGJHJSA-N	220.356	3.530	0	1	BHAF	
CC(=CCC[C@@H](C)c1ccc(C)cc1)CO	2356429713	FXCIQPDJVYFUQG-CQSZACIVSA-N	218.340	3.817	0	1	BHAF	
CCCCCC(=O)[C@H]1C[C@H]2C[C@H]1C=C2C	2356460042	IAVKLBRHLFHUHW-UPJWGTAASA-N	206.329	3.738	0	1	BHAF	
COc1cc2c(cc1[C@H](C)OC)C=CC(C)(C)O2	13306393	KIDINSSIUWCEBX-JTQLQIEISA-N	248.322	3.587	0	1	BHAF	biogenic
CC1=CC[C@@H](C(C)C)[C@@H]2C=C(CO)CC[C@H]12	13381225	DFIKBBWSGFHYMP-ZNMIVQPWSA-N	220.356	3.554	0	1	BHAF	
Cc1ccc2c(c1)-c1cccc3c1[C@@H](C2)N(C)CC3	13589985	VUYKJMZDCAQKIO-QGZVFWFLSA-N	249.357	3.747	0	1	BHAF	
C[C@@H](CCC[C@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O	100783140	GDGGAJNITUJKMP-NWSPFSIPSA-N	236.355	3.560	0	1	BHAF	endogenous,in-man
C[C@@]12CC=C(CO)[C@@H](C1)[C@]1(C)CCC[C@]21C	231253694	BOBUWMAINZVWRJ-APIJFGDWSA-N	220.356	3.532	0	1	BHAF	
CN(C)[C@@H]1CCc2c(cccc2C2CCCC2)C1	1911584041	RPGGMPUMKSQSHG-OAHLLOKOSA-N	243.394	3.763	0	1	BHAF	
CC=Cc1ccc(OC(=O)CC(C)C)cc1	2356538909	VFYYCKCUAQBKLA-UHFFFAOYSA-N	218.296	3.671	0	1	BHAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3C(=CC[C@H]2C)C(=O)O[C@@H]13	2356716309	JRAJNCLSYAFYFH-RKWZHIAKSA-N	248.366	3.567	0	1	BHAF	
C[C@@]12CCC[C@]1(C)[C@]1(C)CCC(=O)[C@H]2C1	34568969	VLWAAPCZYHOYCB-RUZUBIRVSA-N	206.329	3.572	0	1	BHAF	
C/C=C(/C)C(=O)Oc1ccc(OC)cc1/C=C/C	196452560	MPNCRMMIYXNVQM-WXLRGLDMSA-N	246.306	3.600	0	1	BHAF	
Cc1cc(-c2ccccc2)c2cn[nH]c2c1	653845465	OXGKPVIBOVJKSI-UHFFFAOYSA-N	208.264	3.538	0	1	BHAF	
O=C(O)CCCCCCCCCC/C=C\CO	33822261	ICTIYYVVZNILKD-LUAWRHEFSA-N	242.359	3.521	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)-c1ccsc1C4)CC2	587360470	NQGCYNBWWIXATI-UHFFFAOYSA-N	249.338	3.966	0	1	BHAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]21C[C@](C)(O)C3	2356468043	PCROEXHGMUJCDB-NUNXZZDCSA-N	222.372	3.610	0	1	BHAF	
CC(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2	3824840	DVWOBLQZSIYRCC-UHFFFAOYSA-N	246.350	3.857	0	1	BHAF	
C=C[C@]1(C)CC[C@H](C(C)=O)C[C@@H]1C(=C)C	14614802	MQPOZMPCFISHSA-BFHYXJOUSA-N	206.329	3.760	0	1	BHAF	biogenic
CC(=O)[C@@H]1CC[C@@H]2C(C)=CC[C@@H](C(C)C)[C@@H]21	14618375	KXBQKXOLPYNGHE-XGUBFFRZSA-N	220.356	3.840	0	1	BHAF	biogenic
CCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2	100753586	KUFOCIILMPNBEI-IAQYHMDHSA-N	240.350	3.640	0	1	BHAF	
O=C(O)CCC[C@@H]1CC[C@@H]2[C@@H](C1)[C@H]1[C@H]3CC[C@@H]3[C@H]21	102184783	WWHSTYPFQBWANZ-FQHZQCEESA-N	248.366	3.560	0	1	BHAF	
CSc1ccc2nc(C=C3CCC3)[nH]c2c1	587965012	MBUXGKFCFQNIDO-UHFFFAOYSA-N	230.336	3.852	0	1	BHAF	
COC(=O)C(C)=CCCc1ccc(C(C)C)cc1	2356377491	ARJQDAMXWKRPTE-UHFFFAOYSA-N	246.350	3.862	0	1	BHAF	
CCCc1cc2c(c(C(C)(C)C)c1O)CCO2	25972294	HTEHTQYZVPRSRB-UHFFFAOYSA-N	234.339	3.577	0	1	BHAF	
Cc1c2nc3ccccc3c-2ccn1CC1CC1	473120259	CKFNHYADRQZBPV-UHFFFAOYSA-N	236.318	3.860	0	1	BHAF	
CCCC/C=C\c1nc2ccc(F)cc2[nH]1	587964701	BIVFQSMOKFBDJD-WAYWQWQTSA-N	218.275	3.905	0	1	BHAF	
CC1(C)[C@H]2CC[C@@]3(C)O[C@]4(C)CC[C@@H]3[C@@H]4[C@@H]21	2356477134	XMYINGMBVGGPBQ-RWBGOSSDSA-N	220.356	3.626	0	1	BHAF	
Cc1coc2c(O)c3c(c(C)c12)[C@H](C)CCC3=O	13300758	NDJUBPMEWUVPGM-SSDOTTSWSA-N	244.290	3.835	0	1	BHAF	biogenic
CC(=O)CCCC(C)(C)c1cc(C)ccc1O	14439457	VZVGQRFGIWZPQC-UHFFFAOYSA-N	234.339	3.738	0	1	BHAF	biogenic
CN(C)C[C@H]1C[C@H]1c1csc2ccccc12	28960081	AQBBMDYZYWMBQN-ZYHUDNBSSA-N	231.364	3.566	0	1	BHAF	
CCc1c(C)n(CC)c2ccc(N(C)C)cc12	29487403	VMCFCYUZKNJIQH-UHFFFAOYSA-N	230.355	3.598	0	1	BHAF	
CCOc1ccc2cc(CCC(C)=O)ccc2c1	169333145	RYQMUNCPUATTKU-UHFFFAOYSA-N	242.318	3.760	0	1	BHAF	
CC(C)(Cl)c1nc2cc(Cl)c(F)cc2[nH]1	587007944	JFZQJTFKYGMHAI-UHFFFAOYSA-N	247.100	3.829	0	1	BHAF	
CCC[C@H](c1nc2cc(OC)ncc2[nH]1)C(C)C	587955986	MYSGSKNPBBKFQX-JTQLQIEISA-N	247.342	3.506	0	1	BHAF	
CC(=CC=CC(C)C)C1CCC(C)(NC=O)CC1	2356576268	UTOXGRXZEVOUFE-UHFFFAOYSA-N	249.398	3.840	0	1	BHAF	
CC(C)[C@@H]1CCC[C@](C)(O)[C@@H]2C=C[C@H](C)[C@H]12	2356773722	HFWPFTKIWIPREI-AHDPXTMNSA-N	222.372	3.632	0	1	BHAF	
C[n+]1ccc(/C=C/c2cccc3ccccc23)cc1	4831923	FJFKCRZPKGCGJE-MDZDMXLPSA-N	246.333	3.835	0	1	BHAF	in-vitro
c1ccc(CNCC23C[C@@H]4CC2C[C@H](C4)C3)cc1	101563838	OMWCTQFMJOBAAN-JUVOFCAFSA-N	241.378	3.603	0	1	BHAF	
CC1(C)CCC[C@]2(C)CC=C(C(=O)O)[C@@H]3C[C@]312	238732328	QATLFHOGPLMQHU-GLQYFDAESA-N	234.339	3.624	0	1	BHAF	
CCc1c(C2CC2)nc2cccc3c2c1CC3	587214660	VWPSQLDKTWPBJZ-UHFFFAOYSA-N	223.319	3.773	0	1	BHAF	
CCCCCC[C@@H](O)CC[C@H]1CCC[C@@H](C)N1	5782955	XMQISTWKAYJRTI-RBSFLKMASA-N	241.419	3.629	0	1	BHAF	
Oc1c(Cc2ccco2)ccc2ccccc12	27201418	SXGZZKOBTKWQQC-UHFFFAOYSA-N	224.259	3.729	0	1	BHAF	
C1=C(c2ccc3c(c2)OCO3)Cc2ccccc21	28651122	JPKHJTXWUUOHEF-UHFFFAOYSA-N	236.270	3.512	0	1	BHAF	in-vivo
CC(=O)CC/C=C(/C)C[C@@H]1CC(C)(C)CC1=O	96911589	QUPFTDWCMKYGQM-TUOYRWMMSA-N	236.355	3.697	0	1	BHAF	
CN1[C@]2(C)c3ccccc3[C@@]1(C)[C@H]1CCCC[C@H]12	169365263	IUXYFUGTQWYCGM-BVLIXSNISA-N	241.378	3.882	0	1	BHAF	
Cc1ccc2c(c1)[C@@H](C(C)C)[C@H](O)C[C@H]2C	238752006	HTPALWBCPQXQBN-KCPJHIHWSA-N	218.340	3.603	0	1	BHAF	
C[C@@]12CCC[C@]1(C)[C@]1(C)CC[C@@H](CO)[C@H]2C1	238762949	AQPTUSRPCDHRQG-VYDRJRHOSA-N	222.372	3.611	0	1	BHAF	
Fc1ccc(S)cc1-c1nc2ccccc2[nH]1	587143155	YOKQGJBWJKLQMG-UHFFFAOYSA-N	244.294	3.658	0	1	BHAF	
CC(=C[C@@H]1CC[C@H](C)[C@@H]2CCC(C)=C12)C(=O)O	2356495793	FEBNTWHYQKGEIQ-XDTLVQLUSA-N	234.339	3.790	0	1	BHAF	
CC1=CC(=O)[C@H]([C@H](C)CCC[C@@H](C)C=O)CC1	13377662	XHFLMXWCAVSQNH-MCIONIFRSA-N	236.355	3.553	0	1	BHAF	biogenic
CC1=C[C@@H]2C(=C(C)CC[C@@H]2C(C)C)[C@@H](O)C1	14917976	NOCUZOKOOMNRCW-RDBSUJKOSA-N	220.356	3.696	0	1	BHAF	biogenic
c1ccc(-c2ccc(Nc3cccnc3)cn2)cc1	96282865	UQEPBYOPDRZWME-UHFFFAOYSA-N	247.301	3.887	0	1	BHAF	
CCC/C=C/C=C\C=C/C(=O)NCCC(C)C	238788119	SCPZCRFWGBTKEW-VOXLRYPYSA-N	235.371	3.617	0	1	BHAF	
CC(C)=C[C@@H](O)CC(C)=CCCc1ccoc1	2356682528	MVZKYMKFORAEQU-OAHLLOKOSA-N	234.339	3.876	0	1	BHAF	
CCCCCc1oc(CCC(=O)O)c(C)c1C	15120896	OSCJFAHVJDDMFL-UHFFFAOYSA-N	238.327	3.646	0	1	BHAF	biogenic
C/C(CO)=C1\CCC2=CCC[C@@H](C)[C@]2(C)C1	15200563	FXWSXJNUPFBCMQ-PJKVBXAPSA-N	220.356	3.842	0	1	BHAF	
CC(C)(C)CN1CCC[C@@H](c2cccc(O)c2)C1	29250572	HGHITQDDOUFOHU-CQSZACIVSA-N	247.382	3.618	0	1	BHAF	
CC(C)C1=CC[C@@]2(C)CCC[C@@](C)(NC=O)[C@@H]2C1	143174350	MZUROKYUYZHWMA-BZUAXINKSA-N	249.398	3.674	0	1	BHAF	
c1ccc(CCCCCCn2ccnc2)cc1	201128161	YDKUBGYPNQFXAJ-UHFFFAOYSA-N	228.339	3.686	0	1	BHAF	
c1ccc2c(c1)Cc1c-2nc2cccc3c2c1CC3	587214571	BYQQMFQDDFJZHF-UHFFFAOYSA-N	243.309	3.905	0	1	BHAF	
COc1cc(C)c(CC=C(C)C)c(OC)c1	1911576345	AAEFWVBIBCBXTH-UHFFFAOYSA-N	220.312	3.521	0	1	BHAF	
Cc1ccc([C@@H](C)CC[C@@H](O)C(C)C)c(O)c1	2356803201	WVCWCHNQEAVYAY-GXTWGEPZSA-N	236.355	3.601	0	1	BHAF	
Cc1ccc2oc(C3=CN4CCC3CC4)cc2c1	13757478	PKQJAHUVAHVQSO-UHFFFAOYSA-N	239.318	3.808	0	1	BHAF	
C[C@@]12Cc3ccccc3C[C@@](C)(N1)c1ccccc12	28758007	FWMSCHWIVHKSPA-HDICACEKSA-N	249.357	3.519	0	1	BHAF	
CC12C[C@H]3CC(N)(C[C@@H](C1)c1ccccc13)C2	73224802	MAKWIUZPRKKTNB-RJAIZQQDSA-N	227.351	3.549	0	1	BHAF	
Cc1cccc(-c2ccccc2[C@@H]2CCNC2)c1	96175928	DKALRZOTHIJKNZ-OAHLLOKOSA-N	237.346	3.739	0	1	BHAF	
CC12C[C@@H]3CC(N)(C[C@@H](C1)c1ccccc13)C2	102918028	MAKWIUZPRKKTNB-CPWXYTRJSA-N	227.351	3.549	0	1	BHAF	
CC/C=C(C)\C=C(\C)c1cc(OC)c(C)c(=O)o1	213572925	YYOBOZLWPYZHOQ-DEFDFUCDSA-N	248.322	3.716	0	1	BHAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(Cl)nc2[nH]1	586891527	RLSKMMSTMXNTKF-KRTXAFLBSA-N	235.718	3.515	0	1	BHAF	
CC(C)=CCC=C1C[C@H](CO)C(C)(C)[C@@H]1C	2356427824	NTDRGEQLNBGQNX-TZMCWYRMSA-N	222.372	3.944	0	1	BHAF	
Cc1cc2c(cc1O)[C@H](C)C(=O)C[C@H]2C(C)C	13381475	QPXQUILITXIQFA-QWRGUYRKSA-N	232.323	3.517	0	1	BHAF	endogenous,in-man
CO[C@@H]1C(=O)C(C)=C2CCC(C)=CC[C@]2(C)[C@H]1C	14649738	BACDYFMVVCEZJI-VBNZEHGJSA-N	248.366	3.673	0	1	BHAF	biogenic
CCCCCCc1ccc(-c2c[nH]c(N)n2)cc1	84731562	AICYMJTWPXTHDG-UHFFFAOYSA-N	243.354	3.782	0	1	BHAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(C(C)=O)cc2[nH]1	586890932	PXNSJNNEVIAEMH-XHDPSFHLSA-N	242.322	3.669	0	1	BHAF	
CCCCC/C=C/c1cc(C)oc(=O)c1	26580270	JQACNQFITKFWBC-BQYQJAHWSA-N	206.285	3.542	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@H]1CC=C1COC(=O)C[C@@H]12	2356563638	LGRHALRTKURVFA-HEHGZKQESA-N	248.366	3.712	0	1	BHAF	
C[C@@H]1CCC2=C(C(=O)O)C(C)(C)CC[C@]21C	2356848662	PHGGTDBZXHQBFS-OTYXRUKQSA-N	222.328	3.624	0	1	BHAF	
CC(C)C(=O)[C@@H]1CCC2=CCC[C@@H](C)[C@]21C	13385648	DVAATBRDCVSPRO-OSAQELSMSA-N	220.356	3.984	0	1	BHAF	biogenic
CC1(C)CCC[C@@]1(C)c1ccc(C(=O)O)cc1	14822408	NZAJKPWIGPUDBG-HNNXBMFYSA-N	232.323	3.853	0	1	BHAF	biogenic
C=CC(=O)Oc1ccc(CCCCCC)cc1	14968995	PDXYDPKVADBIMM-UHFFFAOYSA-N	232.323	3.901	0	1	BHAF	
c1ccc2c(c1)CN1CCCCCCCC1=N2	49926377	BDWDPIJBKASPLW-UHFFFAOYSA-N	228.339	3.886	0	1	BHAF	
C=C/C=C/C=C\CCCCCCOC(C)=O	59725102	MJZHEIHTZZJYOP-DEQVHDEQSA-N	222.328	3.798	0	1	BHAF	
CC(C)[C@H](C)Nc1cc(-c2ccccc2)ncn1	82162203	WCYUCCYJDCHASP-LBPRGKRZSA-N	241.338	3.600	0	1	BHAF	
c1ccc(-c2ccc3c(c2)C[C@H]2CNC[C@H]3C2)cc1	101023924	MDGLXPGRXDKFKE-CXAGYDPISA-N	249.357	3.603	0	1	BHAF	
Cc1ccc2c(ccc3nc(C4CCC4)[nH]c32)n1	586883684	FQYQBQGWYOIPPD-UHFFFAOYSA-N	237.306	3.687	0	1	BHAF	
CC[C@H](C)Oc1nccc2c1[nH]c1ccccc12	40379685	CLHNYEQYJIKPFT-JTQLQIEISA-N	240.306	3.893	0	1	BHAF	
CC(C)=CCC[C@@]1(C)[C@@H]2CC[C@@]1(C)[C@H](O)C2	85489451	SGAYOTORECIFCJ-KBXIAJHMSA-N	222.372	3.920	0	1	BHAF	biogenic,in-vitro
CC1(C)CCC[C@]2(C)C[C@@](C)(O)CC[C@@H]12	14614778	SJRWAGBQZRSZEQ-YUTCNCBUSA-N	210.361	3.754	0	1	BHAF	biogenic
CC[C@H]1CCc2nc3cccc4c3c(c2C1)CC4	587215441	OIDKIZQDWFPQSO-NSHDSACASA-N	237.346	3.848	0	1	BHAF	
CC(C)=C1CC[C@](C)(O)[C@@H]2CC[C@@H](C)C[C@H]12	2356501654	IZVJDVQPCGYZOX-NGFQHRJXSA-N	222.372	3.920	0	1	BHAF	
COc1ccc(/C=C\c2ccccc2)cc1OC	40918236	BSHIPXLJHQKYFU-HJWRWDBZSA-N	240.302	3.874	0	1	BHAF	
c1ccc(-c2nccc3c2[nH]c2ccccc23)nc1	149196943	MIJJBECNVSJLFN-UHFFFAOYSA-N	245.285	3.778	0	1	BHAF	
C[C@H]1CCCc2c1nc1cccc3c1c2CC3	587215181	ITCWVLUQZBQMBN-JTQLQIEISA-N	223.319	3.773	0	1	BHAF	
Cc1cccc(Nc2nc(C)c(O)c(C)c2C)c1	1772655518	HXTQRGSMSLUESV-UHFFFAOYSA-N	242.322	3.764	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)[C@H](O)C[C@@H]2C	2356483290	HTPALWBCPQXQBN-GLQYFDAESA-N	218.340	3.603	0	1	BHAF	
CC1(C)CCC[C@@]2(C)CC=C(C(=O)O)[C@@H]3C[C@]312	36384208	QATLFHOGPLMQHU-CQDKDKBSSA-N	234.339	3.624	0	3	BHAF	
NCCCCCCCCCCc1ccncc1	13531730	FNLZNEYPJNEYFH-UHFFFAOYSA-N	234.387	3.704	0	1	BHAF	
CN1CC=C(Oc2ccc(C(C)(C)C)cc2)CC1	13651680	ZSTAVTCCZFDCPR-UHFFFAOYSA-N	245.366	3.582	0	1	BHAF	
CC1(C(=O)Nc2ccccc2S)CCCCC1	13813309	LRWUYINHKRXNQH-UHFFFAOYSA-N	249.379	3.884	0	1	BHAF	
C[C@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C=C12	15209581	SRHDLIDOZXPROB-YWPYICTPSA-N	222.372	3.920	0	1	BHAF	in-man
CC(C)=C1CC[C@H](C)[C@@H]2[C@@H]1C[C@@H](C)C[C@H]2O	69482263	INZGXHKIXAEGJY-OBRUSBNWSA-N	222.372	3.776	0	1	BHAF	biogenic,in-vitro
CCc1ccc2nc(N3CCCC3)cc(C)c2c1	70463103	MXLBMCDMEHTRBK-UHFFFAOYSA-N	240.350	3.706	0	1	BHAF	
COc1ccc(Cl)c2cc(CN(C)C)ccc12	169324702	WEUNHXSMBNCWDQ-UHFFFAOYSA-N	249.741	3.563	0	1	BHAF	
CCCCCC(=O)[C@H]1C[C@@H]2C[C@H]1C=C2C	238751370	IAVKLBRHLFHUHW-XQQFMLRXSA-N	206.329	3.738	0	1	BHAF	
Cc1[nH]c2cc(F)ccc2c1-c1cccnc1	587636909	PBPPROUAFPTWDF-UHFFFAOYSA-N	226.254	3.677	0	1	BHAF	
C/C=C\C(=O)Oc1cc(C)ccc1C(C)C	1772490957	FGMNYSJXCIZEOU-WAYWQWQTSA-N	218.296	3.600	0	1	BHAF	
CCCCCC(=O)[C@@H]1C[C@H]2C=C[C@@]1(C)C2	2356561302	XYGDXLLRBBBIBF-DYEKYZERSA-N	206.329	3.738	0	1	BHAF	
C[C@@H](O)[C@H](C)CC=CC=Cc1ccccc1	2356657302	ARROMLOSFCWJKF-ZIAGYGMSSA-N	216.324	3.663	0	1	BHAF	
CC(=O)CC[C@H](C=C[C@]1(C)CCCO1)C(C)C	2356686462	GPNLVCAPXPSJQB-CABCVRRESA-N	238.371	3.753	0	1	BHAF	
COC(=O)/C(C)=C/CCc1ccc(C(C)C)cc1	14613573	ARJQDAMXWKRPTE-AWNIVKPZSA-N	246.350	3.862	0	1	BHAF	
CCOc1ccc(Oc2ccccc2)cc1	40918568	WDRILJFWUMKNJQ-UHFFFAOYSA-N	214.264	3.878	0	1	BHAF	
CC(C)=C1CC[C@@H](C)[C@@H]2C(=O)C[C@H](C)C[C@H]12	69482427	CUDCDRWHADINCC-CVMIBZJCSA-N	220.356	3.984	0	1	BHAF	biogenic,in-vitro
Nc1c2c(nc3cc(Cl)ccc13)[C@@H]1CC[C@@H]2C1	101239462	SSQDPTTWVYJYFB-HTQZYQBOSA-N	244.725	3.835	0	1	BHAF	
C[C@H]1CN=C(Nc2ccc(Cl)c3c2CCC3)C1	143168176	SMCWDBIRMCZOJC-SECBINFHSA-N	248.757	3.679	0	1	BHAF	
COCCc1nc(-c2ccc(C)c(C)c2)cs1	587921307	VPGGYBOVNYHBKL-UHFFFAOYSA-N	247.363	3.616	0	1	BHAF	
CCC=CCCCCCCCCOC=O	2356664780	HYVCKHXCUSZQLA-UHFFFAOYSA-N	212.333	3.856	0	1	BHAF	
CCCN1CCC[C@@H](C2CCC(C)CC2)C1	13492918	DDCRYECRYFHCST-YMAMQOFZSA-N	223.404	3.935	0	1	BHAF	
Cc1ccc(-c2cc3cc(C)ccc3c(=O)[nH]2)cc1	27522462	KYDUBVYKIUREAK-UHFFFAOYSA-N	249.313	3.812	0	1	BHAF	
COc1ccc(/C=C/c2ccccc2)c(OC)c1	34433831	FQUPCEHJCVWBRZ-CMDGGOBGSA-N	240.302	3.874	0	1	BHAF	
Cc1ccccc1O[C@H]1C[C@H](N)c2ccccc21	40423069	VQMGCAXPAOTPQE-HOCLYGCPSA-N	239.318	3.519	0	1	BHAF	in-vivo
CC(C)C1=CC=C(C(=O)O)[C@H]2CC[C@@H](C)[C@H]2C1	85827001	BYNOGUXCVFZVPZ-MPKXVKKWSA-N	234.339	3.646	0	1	BHAF	biogenic,in-vitro
CC1=C[C@@]2(C)CC[C@@H](O)[C@]23[C@@H](C)CC[C@]13C	85944139	WCDMDNMOIJQPML-URWOTSEESA-N	220.356	3.530	0	1	BHAF	
C[C@@H]1CC[C@H]2CC3=C(CO)CC[C@@]31C2(C)C	103146597	LMCIYJPGIPULLI-GMXABZIVSA-N	220.356	3.532	0	1	BHAF	
CC1=CC(C)(C)[C@]23CC[C@H](O)[C@]12[C@H](C)CC3	169385249	JAELKEBODQWGTA-WCUVEOEZSA-N	220.356	3.530	0	1	BHAF	
CCCCCc1[nH]c2ccccc2c(=O)c1C	14592869	SSWORBNMTDPEQY-UHFFFAOYSA-N	229.323	3.569	0	1	BHAF	biogenic
CN1CCc2c(Cl)ccc3c2[C@@H](CCCC3)C1	27723039	VRVFNIILSRTOCY-LBPRGKRZSA-N	249.785	3.638	0	1	BHAF	
Clc1cccc(Nc2c[nH]c3cccnc23)c1	118722010	GSHWEUJOJVEWFY-UHFFFAOYSA-N	243.697	3.960	0	1	BHAF	
C[C@@H]1CC[C@]2(O)[C@H](C3=C1CC[C@H]3C)C2(C)C	238768783	JGYULZZPFYGXEW-VWFAINMRSA-N	220.356	3.530	0	1	BHAF	
Nc1ccccc1-c1cc2c3c(cccc3n1)CC2	587211451	QLBDPNYQJFKVNQ-UHFFFAOYSA-N	246.313	3.583	0	1	BHAF	
Fc1cc2[nH]c(C=C3CCC3)nc2cc1Cl	587964556	CJSADVBDAHCYEB-UHFFFAOYSA-N	236.677	3.923	0	1	BHAF	
CC1(C)[C@@H]2CC=C3CCC[C@](C)(O)[C@]3(C)[C@H]21	2356640590	INNGXJWTLWOYKO-UXOAXIEHSA-N	220.356	3.530	0	1	BHAF	
[C-]#[N+]c1cccc(/C=C/c2ccccn2)c1	473113634	JRJSBIRJTZJIDB-CMDGGOBGSA-N	206.248	3.803	0	1	BHAF	
C[C@@H]1CC=C2C(C)(C)CCC[C@@]2(C)[C@]1(C)O	2356330117	GKVOSYCVNKHQSI-KCPJHIHWSA-N	222.372	3.920	0	1	BHAF	
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]2(C)C(=O)O	13374729	JQVRGJMXYNVMIA-BPNCWPANSA-N	224.344	3.704	0	1	BHAF	
C[C@H]1CC[C@H]2C(C)(C)[C@H]3CC[C@@]12C[C@@]3(C)O	39119664	NCTNPEDWZJKLLV-SZWZKDINSA-N	222.372	3.610	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)CC=C2CO	238773981	SQUQSEUADQDUJA-ZDUSSCGKSA-N	216.324	3.514	0	1	BHAF	
CC(=O)CC[C@@H]1[C@H](C2=CCC=C2C)C1(C)C	14721251	NYGIBOIEPYXYQN-KGLIPLIRSA-N	218.340	3.904	0	1	BHAF	biogenic
Cc1ccccc1[C@H]1CC[C@H]2CCCCN21	26718261	LQFDQTUPEHQXJH-UKRRQHHQSA-N	215.340	3.684	0	1	BHAF	
C[C@@H]1CC[C@H]2[C@]1(O)CC(C)(C)C[C@H]1C[C@]12C	59778533	KVFZUTBKAXAVDX-OGMFBOKVSA-N	222.372	3.610	0	1	BHAF	
CCn1cc(-c2ocnc2Cl)c2ccccc21	103213650	MYUILRSISCHIKL-UHFFFAOYSA-N	246.697	3.970	0	1	BHAF	
CC=Cc1c(CC)c2n3c1CC[C@@H]3CCC2	2356492162	XHXBPJIMQMOKPK-NSHDSACASA-N	215.340	3.907	0	1	BHAF	
Cc1ccc([C@H](C)CC[C@H](O)C(C)C)c(O)c1	2356803203	WVCWCHNQEAVYAY-OCCSQVGLSA-N	236.355	3.601	0	1	BHAF	
CC[C@@H](C)C[C@@H](C)c1oc(=O)c(C)c(O)c1C	2356829306	IWXSAAXASBMZBN-RKDXNWHRSA-N	238.327	3.502	0	1	BHAF	
CCCN1CCC[C@@H](c2ccccc2C)C1	13492906	DSPOQGRZNACTQF-CQSZACIVSA-N	217.356	3.584	0	1	BHAF	
CC1(C)CCC[C@@]2(C)C[C@@](C)(O)CC[C@@H]12	14614777	SJRWAGBQZRSZEQ-UBHSHLNASA-N	210.361	3.754	0	1	BHAF	biogenic
CC(C)(O)CCCCCCCC(C)(C)CO	33820531	BEMQUKMAAXMMPR-UHFFFAOYSA-N	230.392	3.507	0	1	BHAF	
Cc1ccc2c(c1)[C@H](C(C)C)CCC2=O	33951401	KIZXBPVAPQXAMH-NSHDSACASA-N	202.297	3.711	0	1	BHAF	
CC[C@@H](C)CNc1cc(-c2ccccc2)ncn1	82160625	FBWJYZFGISJDFS-GFCCVEGCSA-N	241.338	3.602	0	1	BHAF	
CC1(C)CCC[C@@]2(C)CC=C(CO)[C@@H]3C[C@]312	210474743	RIGGCOJUFQBLRZ-QEJZJMRPSA-N	220.356	3.532	0	1	BHAF	
COc1ccc(C(=N)Sc2ccccc2)cc1	1772609275	AZKRTTOIIRBJIG-UHFFFAOYSA-N	243.331	3.813	0	1	BHAF	
CCCCCC(=O)[C@H]1C[C@H]2C=C(C)[C@H]1C2	2356512773	DODAHWXKYGJIBN-XQQFMLRXSA-N	206.329	3.738	0	1	BHAF	
CC[C]1C=CN(CC(=O)c2ccc(C)cc2)C=C1	2356810343	OWAVRAQPRWCIEY-UHFFFAOYSA-N	240.326	3.505	0	1	BHAF	
CC/C=C(C)/C=C(\C)c1oc(=O)cc(OC)c1C	13430643	NJJGGWCOUXPRPO-AMMQDNIMSA-N	248.322	3.716	0	1	BHAF	
CC(C)C(=O)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	238733510	RPWJVLNUGNQUMD-SUNKGSAMSA-N	208.345	3.674	0	1	BHAF	
COc1cccc([C@H](C)CCN2CCCCC2)c1	1772592534	VOQBIIDKGKTMLS-CQSZACIVSA-N	247.382	3.675	0	1	BHAF	
CCCCC[C@H](O)C[C@@H](O)CCCC=CCl	2356606800	DOJFCHNSBVYWMU-STQMWFEESA-N	248.794	3.601	0	1	BHAF	
Cc1ccc([C@@H](C)CC=CC(C)(C)O)c(O)c1	2356858363	SZEQTNGHLUJJGQ-LBPRGKRZSA-N	234.339	3.521	0	1	BHAF	
CN1CCC[C@H]1c1ccc(-c2ccccc2)nc1	13487899	JOXQTJBTTWJYHB-INIZCTEOSA-N	238.334	3.515	0	1	BHAF	
C[C@H]1CC[C@@H](c2ccoc2)N2C[C@H](C)CC[C@@H]12	14962635	VACYOTYBTLYIEB-DHMWGJHJSA-N	233.355	3.851	0	1	BHAF	
C[n+]1ccc(/C=C/c2ccccc2)c2ccccc21	26843108	QDMHYLUMTJATFS-VAWYXSNFSA-N	246.333	3.835	0	1	BHAF	
Nc1nccc2scc(-c3ccccc3)c12	28703803	VLRHRAKTBJPHDR-UHFFFAOYSA-N	226.304	3.546	0	1	BHAF	
Cc1cc(-c2nc3ccccc3o2)ccc1O	28964630	MQORWSKSLKVFNE-UHFFFAOYSA-N	225.247	3.509	0	1	BHAF	
CN1[C@]2(C)Cc3ccccc3[C@]1(C)c1ccccc12	100649154	NTYASZOGDPMGGG-QZTJIDSGSA-N	249.357	3.667	0	1	BHAF	
C/C(=C/C(=O)c1ccccc1)Nc1ccccc1	140415232	FBLQBJUCYNOZRH-SEYXRHQNSA-N	237.302	3.885	0	1	BHAF	
Cc1cc2nc(C(C)(C)Cl)[nH]c2cc1C	587008257	MSBLRBLWYBJTIP-UHFFFAOYSA-N	222.719	3.654	0	1	BHAF	
CC/C=C\Cc1cnc2cccc3c2c1CC3	587214734	XMQSUCWHQFPAEN-ARJAWSKDSA-N	223.319	3.842	0	1	BHAF	
c1cc2c3c(c4c(nc3c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]41)CC2	587215253	KGTRMPPMBAETQE-QMMBQJITSA-N	247.341	3.944	0	1	BHAF	
CC(C)[C@H]1CC[C@@H](C)C2=CC[C@](C)(N)C[C@H]21	2356687783	AWCUDJMPDGKNIP-UXOAXIEHSA-N	221.388	3.742	0	1	BHAF	
CC1=C2CCC(CO)=C[C@@H]2[C@@H](C(C)C)CC1	13381148	PSCGCYQLAZATGE-UKRRQHHQSA-N	220.356	3.698	0	1	BHAF	biogenic
CC1=CCC[C@H](C)[C@]12CC[C@@](O)(C(C)C)C2	14714065	PDFMGMLJJHVTMM-KKUMJFAQSA-N	222.372	3.920	0	1	BHAF	biogenic
COc1ccc(-c2nc3ccc(F)cc3o2)cc1	40973043	WLBAMMQWOXLNLE-UHFFFAOYSA-N	243.237	3.643	0	1	BHAF	
CC1(C)C[C@@]2(O)[C@@]3(C)CCC[C@]2(C)[C@@H]1CC3	104378914	QOXUIQMPPDIDGM-FAAHXZRKSA-N	222.372	3.754	0	1	BHAF	in-man
C[C@@]12CCC[C@]34CCC[C@@H](C=C[C@@H]1CC3)N42	155587663	YXWOUJYNFPKTLH-LXTVHRRPSA-N	217.356	3.502	0	1	BHAF	
CC[C@H]1O[C@@H](CC)S[C@H](CC)S1	261499646	GQNYEPIOQFSEAZ-BRPSZJMVSA-N	206.376	3.691	0	1	BHAF	endogenous,in-man
CC1(C)C=C(NC=O)[C@]23CCC[C@](C)(CC[C@@H]12)C3	473125719	RQTIGQNOHSJVTD-MAZHCROVSA-N	247.382	3.633	0	1	BHAF	
CC(C)(C)c1[nH]c2ccc(F)c(Cl)c2c1N	587630716	BJDIJTYMGIOWPF-UHFFFAOYSA-N	240.709	3.840	0	1	BHAF	
CC1=CCC[C@]2(C)C1=CC(=O)O[C@H]2c1ccoc1	5964430	PFXGEOGHUCCQPU-LSDHHAIUSA-N	244.290	3.550	0	1	BHAF	biogenic
CC1=CCC[C@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CO	13378515	MLCVYPBKBQCPDK-XQLPTFJDSA-N	222.372	3.778	0	1	BHAF	biogenic,in-vitro
CCC(=C/C(C)C)/C=C/[C@@H]1OC(=O)C=C[C@@H]1C	34722438	RQPJQCDQJMUGMM-KGXPSCQHSA-N	234.339	3.653	0	1	BHAF	
CC[C@@]1(C)C[C@H]1c1nc2cncc(Cl)c2[nH]1	586888295	IMUAHDCGIXQGIN-MADCSZMMSA-N	235.718	3.515	0	1	BHAF	
Fc1cnc2[nH]c(CC3CCCCCC3)nc2c1	587960617	LFKHGPXVQCATAW-UHFFFAOYSA-N	247.317	3.610	0	1	BHAF	
CCN(C)[C@H](C)Cc1cccc(C(F)(F)F)c1	38813873	KNELLTQVCHKYBM-SNVBAGLBSA-N	245.288	3.588	0	3	BHAF	
Cc1cc2c(cc1O)[C@@H](C)C(=O)C[C@H]2C(C)C	13381476	QPXQUILITXIQFA-MNOVXSKESA-N	232.323	3.517	0	1	BHAF	endogenous,in-man
c1ccc([C@H]2CO[C@@H](c3ccccc3)C2)cc1	14723472	DTRWVAWUKAYYNM-HZPDHXFCSA-N	224.303	3.932	0	1	BHAF	biogenic
Clc1ccc([C@H]2CCCCNC2)cc1Cl	95583133	CWYBNSVSYKQGJB-JTQLQIEISA-N	244.165	3.851	0	1	BHAF	
C/C=C/C=C/C=C\C=C\CC[C@@H](O)CC	238753228	MDEBZXWDIHBXDZ-PHNLNARXSA-N	206.329	3.782	0	1	BHAF	
Cc1ccc([C@@H](C)CC=CC(C)(C)O)cc1O	2356649226	DZGXYWVBUAZNOS-NSHDSACASA-N	234.339	3.521	0	1	BHAF