smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C=C1C(=O)O[C@@H]2[C@@H]1CCC1=CCC[C@@H](C)[C@@]12C	15201115	MCWIBQXSOJFMTL-OBEQPXDXSA-N	232.323	3.241	0	1	BGAF	biogenic
Cc1cccc(C)c1O[C@@H](C)C1=NCCS1	27656089	MZBONZIYHMNYGD-NSHDSACASA-N	235.352	3.216	0	1	BGAF	
CCOC(=O)[C@@H]1CCc2c1ssc2=S	53296132	DQXWLLCHJDXICG-RXMQYKEDSA-N	246.378	3.132	0	1	BGAF	
N[C@H]1C2C[C@@H]3C[C@H](C2)CC1(c1ccccc1)C3	64446947	IELSRSCLRGXCFP-VKEQERPUSA-N	227.351	3.092	0	1	BGAF	
O=C1C=CC[C@@H](c2cccc3ccccc23)O1	72122992	GCNWYKGSIZBJOY-AWEZNQCLSA-N	224.259	3.384	0	1	BGAF	
Cc1nc(Nc2ccccc2)c(C)c(C)c1O	143793464	YQQRRYHGRZBULH-UHFFFAOYSA-N	228.295	3.456	0	1	BGAF	
O[C@@H]1Cc2ccccc2N[C@H](c2cccs2)C1	169551005	YDLWCBPTPUWYHN-YPMHNXCESA-N	245.347	3.208	0	1	BGAF	
CC(=O)CC/C=C(\C)[C@H](O)CC=C(C)C	204914203	DRPMNCHRRMKIHV-ASJRZHAZSA-N	210.317	3.019	0	1	BGAF	
O=NC=C1C=CC=CN1Cc1ccsc1	1857621113	NFVXTQHWVAOQQR-UHFFFAOYSA-N	218.281	3.241	0	1	BGAF	
Cc1cc2c(cc1O)[C@]1(C)CCC(=O)C[C@H]1CC2	2356586496	CBDLZRQBPRHLPM-MLGOLLRUSA-N	244.334	3.274	0	1	BGAF	
CC=C(C)C=C(C)[C@H](O)[C@H](C)C(=O)CCC	2356618716	DVSSWRPHWSGOFM-OCCSQVGLSA-N	224.344	3.265	0	1	BGAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@H]1O	100067594	KSMZUKWIDPCGBS-MYYUVRNCSA-N	238.371	3.131	0	3	BGAF	in-vitro
CCc1cc(Cc2c[nH]cn2)c(CC)s1	22739	VJKYHDLZWCMFMM-UHFFFAOYSA-N	220.341	3.187	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@]21C	13385640	UQEVJIYDECNMHF-RIEGTJTDSA-N	232.323	3.083	0	1	BGAF	biogenic
CCN(CC)[C@H]1CCc2c(O)cccc2[C@H]1C	27714399	DPTFGOTYFGUZBM-RISCZKNCSA-N	233.355	3.152	0	1	BGAF	
CCOc1ccc(C)nc1Nc1cccc(C)n1	28527865	KBBIMHSDGMAFAN-UHFFFAOYSA-N	243.310	3.236	0	1	BGAF	
Cc1cc(C)[n+](-c2cc(O)ccc2Cl)c(C)c1	95589518	HQFKQGDWCKULLU-UHFFFAOYSA-O	248.733	3.248	0	1	BGAF	
CO[C@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1	28645461	CCUROSRTZKSORY-OWCLPIDISA-N	245.366	3.043	0	1	BGAF	
CN1C[C@@H]2CC(c3cnccc3Cl)=C[C@@H](C2)C1	95577110	BHIGQRNBSBBYCZ-MNOVXSKESA-N	248.757	3.090	0	1	BGAF	
C[C@@H]1C(=O)S[C@@](C)([C@@H](C)c2ccccc2)C1=O	169719301	HQDSPUUMYQWFFK-BHDSKKPTSA-N	248.347	3.027	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H](C)C1)O2	587409444	UOIZLKFHDVKLKV-BJOHPYRUSA-N	245.322	3.101	0	1	BGAF	
C[C@@H]1C=C2C=C[C@H](C)[C@]3(CCC(=O)O3)[C@@H]2CC1	2356404809	XIZPBKMZTBITPA-HTTKSJEASA-N	232.323	3.241	0	1	BGAF	
Cc1cccc(C)c1O[C@H](C)C1=NCCS1	27656087	MZBONZIYHMNYGD-LLVKDONJSA-N	235.352	3.216	0	1	BGAF	
Cc1ccc2c(c1)C(=O)C[C@@H](c1ccco1)O2	103174863	BZZVINBSKOEOGS-AWEZNQCLSA-N	228.247	3.295	0	1	BGAF	
C[C@H]1Cc2ncccc2[C@@H](C[C@@H]2CCCCN2)C1	139069584	VATUXNUGMFWXDH-MCIONIFRSA-N	244.382	3.280	0	1	BGAF	
CC1=C[C@H](OCc2ccc(C(C)C)cc2)OC1=O	1857620197	FUNGIYOPIQTHGC-CQSZACIVSA-N	246.306	3.156	0	1	BGAF	
C=Cc1ccc(OC(=O)c2ccc(O)cc2)cc1	1857752834	LFLCXRGSQJKGBK-UHFFFAOYSA-N	240.258	3.254	0	1	BGAF	
CCc1cnc(-c2cc3sccc3n2C)[nH]1	1911580859	MJPJJAQHDRMMKZ-UHFFFAOYSA-N	231.324	3.192	0	1	BGAF	
CC[C@@H](C)NC(=O)c1cc2c(s1)CSC2	6736751	SXZFBYLOXXNCGO-SSDOTTSWSA-N	241.381	3.023	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3[C@H](CC[C@@H]12)CO[C@H]3O	15159627	JQLJPTCKTYQKIH-OKWIKPQFSA-N	238.371	3.194	0	1	BGAF	biogenic
ClC(Cl)(Cl)c1ncc2ccccc2n1	59369749	ZLZYVPMWRLVXSM-UHFFFAOYSA-N	247.512	3.457	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3C(=O)OCC3=CC[C@@H]12	169416540	BQNSBENKJCLJGN-HUBLWGQQSA-N	234.339	3.322	0	1	BGAF	
Cc1cnn(-c2c(C)[nH]c3cccc(F)c23)c1	587635395	HCGHYMXINKASKG-UHFFFAOYSA-N	229.258	3.110	0	1	BGAF	
CC1(C)CCCC2=C[C@@H](O)[C@@](C)(O)CC[C@@]21C	2356528958	NWAVEWPQEPBQBN-SNPRPXQTSA-N	238.371	3.035	0	1	BGAF	
CC1=C[C@H](O)CC(C)=C[C@@H](O)[C@@H](C(C)C)CC1	2356556842	QNMWLBQJIVQIBA-RRFJBIMHSA-N	238.371	3.057	0	1	BGAF	
COc1c2c(C)coc2cc2oc(=O)cc(C)c12	13652061	DQIDDMUSGVZUGW-UHFFFAOYSA-N	244.246	3.165	0	1	BGAF	
c1ccc2c(c1)CN[C@]21CCCc2sccc21	27654077	JGCIITAQPRMNCV-OAHLLOKOSA-N	241.359	3.431	0	1	BGAF	
N[C@H]1C[C@@H]1c1cc(F)ccc1-c1ccccc1	89470029	OADWWZWZGPNUQT-CABCVRRESA-N	227.282	3.307	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@H]1c1ccc(C(F)(F)F)cc1C2	100820186	WOHWQAPSLJHLKN-CQFDHEJISA-N	241.256	3.082	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)[C@H]1C[C@@H]1CC4)CC2	587215547	QDRNKZHGKHNXFX-GWCFXTLKSA-N	221.303	3.383	0	1	BGAF	
CO[C@@H]1[C@@H](C)CC[C@@H]2C(C)=C3CCC[C@]21O3	2356708348	MFNGWXIGBXGRPT-FRJFDASCSA-N	222.328	3.274	0	1	BGAF	
COc1c(O)c(C(C)=O)c(C)c2c1C=CC[C@@H]2C	13434551	QFUXWTVAALROJB-QMMMGPOBSA-N	246.306	3.432	0	1	BGAF	biogenic
CCOC(=O)c1ccc(O)c(CC=C(C)C)c1	14489223	QOIOQZMIXLSVAI-UHFFFAOYSA-N	234.295	3.078	0	1	BGAF	biogenic
c1ccc(-c2cnc(NC3CCCC3)[nH]2)cc1	72105890	RUKBQAAZDDRSHY-UHFFFAOYSA-N	227.311	3.431	0	1	BGAF	
O[C@H]1CCC2=C(C1)C[C@H](CCN1CCCCC1)C2	169327458	JETQOIJXQDJVMI-CJNGLKHVSA-N	249.398	3.114	0	1	BGAF	
CCCCCCc1ccc(C2=NCCN2)cc1	1772648768	PPTCMFNKKCRYRV-UHFFFAOYSA-N	230.355	3.159	0	1	BGAF	
C[C@@H]1CC(=CC(C)(C)O)[C@@H](C(=O)c2ccoc2)C1	2356467385	OIRMTEOVICFHJP-MFKMUULPSA-N	248.322	3.206	0	1	BGAF	
CC1=CC[C@@H](C(C)=CC[C@H](O)C(C)(C)O)CC1	2356748081	SMFKOVDEXIFUCB-KGLIPLIRSA-N	238.371	3.201	0	1	BGAF	
CC(C)c1cc(O)cc2ccc(C(=O)O)cc12	2356806910	WAHQRVDWBUGXLB-UHFFFAOYSA-N	230.263	3.367	0	1	BGAF	
O=C(O)CC[C@@H]1CCc2cccc3occ1c23	5813066	UGOKXWIGENSUOJ-VIFPVBQESA-N	230.263	3.327	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1CCC(CO)=CC1=O	14444316	XLSXOQZUYPFQQM-GXTWGEPZSA-N	236.355	3.267	0	1	BGAF	biogenic
COc1cc(C(=O)O)ccc1Oc1ccccc1	28871023	BHLHNTNYVDUKFV-UHFFFAOYSA-N	244.246	3.186	0	1	BGAF	in-vitro
Oc1ccc2c(c1)CC[C@@H]1[C@@H](c3ccncc3)[C@H]21	36289327	PMBWFLFXHMHHCP-BZUAXINKSA-N	237.302	3.231	0	1	BGAF	
Cc1ccc2c(c1)C(=O)Nc1ccccc1N2	63540144	XHFZDCLANHHVOK-UHFFFAOYSA-N	224.263	3.304	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@@]3(C)CC[C@@]12O3	197875000	VLIUMVVQGMLOJG-VQJWOFKYSA-N	238.371	3.131	0	1	BGAF	endogenous,in-man
COc1cc2nc(C(C)(C)Cl)[nH]c2cc1F	587009071	UTXREQQWTOAGAF-UHFFFAOYSA-N	242.681	3.185	0	1	BGAF	
C[C@]12CC[C@H](O)C[C@H]1CCc1ccccc12	3978258	MVNJNWNFUCRWBW-IPYPFGDCSA-N	216.324	3.052	0	1	BGAF	biogenic
COc1cc2[nH]c3ccccc3c2cc1C=O	14445235	SIUSRUNIJUFYPR-UHFFFAOYSA-N	225.247	3.142	0	1	BGAF	biogenic
COC(=O)[C@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@@H]1C2	26815837	DRIXPIWDZOXGSL-ZGKBOVNRSA-N	244.334	3.379	0	1	BGAF	
CN(C)CCCc1c[nH]c2ccc(Cl)cc12	28128943	KGTMXNSOIORYBQ-UHFFFAOYSA-N	236.746	3.316	0	1	BGAF	
CC(C)N(Cc1ncc[nH]1)c1cccc(Cl)c1	95559549	QGZAJIFGXCMZIC-UHFFFAOYSA-N	249.745	3.478	0	1	BGAF	
CC[C@@H](CC[C@@H](C)O)c1ccccc1O	95579595	MNFQHIIBMUWNNS-MNOVXSKESA-N	208.301	3.047	0	1	BGAF	
CC(C)C[C@@H](C)N[C@@H](C)[C@H](O)c1ccccc1	299836094	GEQRORXXTAPAQB-IPYPFGDCSA-N	235.371	3.133	0	1	BGAF	
Cc1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2c1	586917721	VSGDOADRVQQYCG-GWCFXTLKSA-N	230.311	3.359	0	1	BGAF	
Clc1ccccc1O[C@H]1C[C@@H]2CC[C@H](C1)N2	101387152	MJWXDPDEDHUUJV-JGPRNRPPSA-N	237.730	3.002	0	1	BGAF	
Cc1ccc2cc(CC[C@@H](C)O)ccc2c1	169333154	LRVWUMXNIJYNGA-GFCCVEGCSA-N	214.308	3.462	0	1	BGAF	
CNC(=O)NCCCCCCCCC(C)C	261160977	QVIKQVSUPPEGSM-UHFFFAOYSA-N	228.380	3.302	0	1	BGAF	
CC(C)(Cl)c1nc2c(Cl)ccnc2[nH]1	587008775	OCFFAXRBJRPUDX-UHFFFAOYSA-N	230.098	3.085	0	1	BGAF	
CC(C)(Cl)c1nc2cc(F)cc(F)c2[nH]1	587009049	UFFWDASVJBISSE-UHFFFAOYSA-N	230.645	3.315	0	1	BGAF	
CC/C=C/C[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587406801	VLICMLQIJIOPBT-ZWNMCFTASA-N	245.322	3.267	0	1	BGAF	
NC1CC(c2ccccc2)(c2ccccc2)C1	1845254	IABBZBVTZRKDFW-UHFFFAOYSA-N	223.319	3.094	0	1	BGAF	
CN1CCc2ccc3c4c2[C@H]1C[C@H]1C=CC=C(C3)[C@@H]41	27200035	QVBLTVPWLCQXFO-FVQBIDKESA-N	249.357	3.371	0	1	BGAF	
C[C@@H](CN)n1ccc2ccc3ccccc3c21	29339452	YMIOAAPNOLEXTI-NSHDSACASA-N	224.307	3.314	0	1	BGAF	
Nc1[nH]nc2ccc(-c3cccc(Cl)c3)cc12	40412597	JNMNZGXGVBHQTA-UHFFFAOYSA-N	243.697	3.466	0	1	BGAF	
c1ccc2c3c([nH]c2c1)-c1n[nH]cc1CCC3	82155336	HBWXPQZQCDQNND-UHFFFAOYSA-N	223.279	3.047	0	1	BGAF	in-vitro
Cc1ccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c2c1	587961461	GDRWZGHKZVMKAV-GHMZBOCLSA-N	242.322	3.029	0	1	BGAF	
COc1ccc(/C(O)=C/C(=S)SC)cc1	1911580701	YZTBMRJTHCTAIV-YFHOEESVSA-N	240.349	3.285	0	1	BGAF	
C[C@@H]1CC[C@H](O)[C@]2(C)CC[C@H]3C[C@@]12OC3(C)C	2356677176	KBDUCUDIASUHFM-FUQNVFFISA-N	238.371	3.131	0	1	BGAF	
CCC(=O)[C@@H]1CC[C@H](C)c2ccc(C)nc2C1	169614534	JTNVDCPNHKLOKW-CMPLNLGQSA-N	231.339	3.425	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)C=COC=C[C@H]2C1	238770497	WARXHLUDWXLGBE-DYEKYZERSA-N	222.328	3.238	0	1	BGAF	
C1C[C@@H]2CC[C@H]3CCC[C@@]24[C@@H]3CCCN4C1	2356348027	WEUSZYFSAZZUMH-TUVASFSCSA-N	219.372	3.441	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@]1(O)C=C[C@](C)(O)CC1	13377212	JCGJMCYVUGMULQ-SOUVJXGZSA-N	238.371	3.201	0	1	BGAF	biogenic
Cc1ccc2c(c1)c1ccccc1n2C=O	14590817	ODQBPNZNDIOBFN-UHFFFAOYSA-N	209.248	3.141	0	1	BGAF	endogenous,in-man
C[C@@]12N[C@H](Cc3ccccc31)C1=C2CC=CC1	100659819	USJBTAAJQVQXDD-HZPDHXFCSA-N	223.319	3.076	0	1	BGAF	
CCCCN(CC)[C@@H]1CCc2c(O)cccc2C1	169326447	OMXBVCKKWUFACV-CQSZACIVSA-N	247.382	3.372	0	1	BGAF	
C[C@@H](c1nc2ccccc2[nH]1)n1cc(Cl)cn1	587082769	VKSRQFKYMMUOLD-QMMMGPOBSA-N	246.701	3.022	0	1	BGAF	
C[C@H]1CC(=CC(C)(C)O)[C@H](C(=O)c2ccoc2)C1	2356467384	OIRMTEOVICFHJP-GXFFZTMASA-N	248.322	3.206	0	1	BGAF	
c1ccc2c(c1)CN1CC[C@@H]3CCC[C@@H]2[C@H]31	2356480413	CDIONMUWHFYLPO-CQDKDKBSSA-N	213.324	3.158	0	1	BGAF	
COc1cc2c(cc1[C@@H](C)CO)[C@H](C)CCC2	2356689055	WXZZUVOODPQACK-MNOVXSKESA-N	234.339	3.231	0	1	BGAF	
CN1C[C@H]2c3ccccc3C[C@@H]1c1ccccc12	13831953	PIGZXJLBRSZWDM-DLBZAZTESA-N	235.330	3.361	0	1	BGAF	
CNC(=O)N1c2ccccc2Oc2ccccc21	95575868	NVIYKYHCQSDJLJ-UHFFFAOYSA-N	240.262	3.270	0	1	BGAF	
CC(C)=CCc1cccc2ccc(C(=O)O)nc12	138396022	ZIFDBDYESJDTSE-UHFFFAOYSA-N	241.290	3.442	0	1	BGAF	
Fc1ccc2nc(C3=CCCC3)[nH]c2c1F	586883128	HKBDQPYTNVMBCP-UHFFFAOYSA-N	220.222	3.408	0	1	BGAF	
O=C1CC2(CCC2)Oc2c1ccc1c2CCCC1	587528183	YXBQAMDYPOGRHI-UHFFFAOYSA-N	242.318	3.453	0	1	BGAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC=C[C@H]12	2356665906	GIOSSFCGQAGYSG-CRWXNKLISA-N	208.345	3.386	0	1	BGAF	
CC(C)=CC=C1O[C@@H]2C=C(C)CC[C@H]2[C@]1(C)O	2356725954	ORTJVSXUILUUMF-NFAWXSAZSA-N	234.339	3.343	0	1	BGAF	
Cc1cccc(Nc2ncccc2OC(C)C)n1	28527228	GQRITWHPIDXXRS-UHFFFAOYSA-N	243.310	3.316	0	1	BGAF	
Oc1ccc2c(c1)CC[C@H](Nc1ccccc1)C2	28865317	KKTQSDKTTQRMRD-HNNXBMFYSA-N	239.318	3.362	0	1	BGAF	
CCC1(CC)C2C[C@@H]3C[C@@H](C2)CC1(N)C3	103029507	XXXFGMRAIBKVRH-PZFKGIAWSA-N	207.361	3.330	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1c1cccc(C(F)(F)F)c12	26290191	HHIJEPNAHYLKPE-FYBVGQRMSA-N	227.229	3.007	0	1	BGAF	
CCOc1c(C(C)=O)c(C)cc2cccc(O)c12	169343684	BIIMHLLELJNREE-UHFFFAOYSA-N	244.290	3.455	0	1	BGAF	
CC=CCCCCC(=O)[C@@H](C)C(=O)N1C=CCC1	2356653415	JGNMZTXDOHXIJQ-CYBMUJFWSA-N	249.354	3.074	0	1	BGAF	
CCN(CC)CSc1nc2ccccc2o1	1620461	WFDWXVWZXGIIOV-UHFFFAOYSA-N	236.340	3.219	0	1	BGAF	
CC1(C)CCC[C@@]2(C)C3=C(CC[C@@H]12)COC3=O	14559566	MEGPFBRAROUGQD-XHDPSFHLSA-N	234.339	3.466	0	1	BGAF	biogenic
C/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CO	15213753	FLIKBVTXNBEPQQ-RDUMTQBOSA-N	238.371	3.370	0	1	BGAF	in-vitro
CC1=C2CCC(C)=C2C[C@@H]2[C@H](C1)OC(=O)[C@H]2C	15264459	CTFVSACKNVWQLE-BPNCWPANSA-N	232.323	3.385	0	1	BGAF	biogenic
Cc1c2c(c(O)c3c1[C@H](C)C(=O)O3)CCC[C@@H]2C	154706824	WNVJFXCXPGTUNO-CBAPKCEASA-N	246.306	3.163	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cc(F)cnc2[nH]1	586890918	PSHKBSUCIWTQDH-QPUJVOFHSA-N	219.263	3.001	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc1C2	26281292	RBCLHKCRXOPGGK-MKPLZMMCSA-N	241.256	3.082	0	1	BGAF	
Cc1cccc(-c2ccnc3[nH]cc(C#N)c23)c1	219697027	ANPOAAOWVMMUTG-UHFFFAOYSA-N	233.274	3.410	0	1	BGAF	
Cc1c(-c2nccn2C)[nH]c2cccc(F)c12	587635717	LZYWSQJGXAGUMD-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
CC=CCCCCC1=C(C)C(=O)N2CCC[C@H]2O1	2356501184	QFSVKKKDSOYBCD-CQSZACIVSA-N	249.354	3.376	0	1	BGAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)O[C@@]2(C)CCC1=O	100067586	PPGUUDJMTMGALC-FDRIWYBQSA-N	236.355	3.339	0	3	BGAF	in-vitro
CCCCN1CC[C@@H]2c3ccccc3C[C@@H]2C1	13455466	FLQWELWUFIHCPK-ZBFHGGJFSA-N	229.367	3.448	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](C)CC[C@@H]2[C@H](C)CO	14918357	JZRBLGYAAXGCNI-YUSALJHKSA-N	234.339	3.310	0	1	BGAF	biogenic
C[C@H](O)CCCCC[C@@H]1CC[C@@H]2CC[C@@H](C)N21	15273393	MZVMQPFTTQKLEJ-BARDWOONSA-N	239.403	3.333	0	1	BGAF	biogenic
CC(C)c1cc2c(=O)c3ccccc3n(C)c2o1	28250466	HXYDQLOAGCACJZ-UHFFFAOYSA-N	241.290	3.408	0	1	BGAF	
Clc1ccccc1[C@H]1CCc2nc[nH]c2C1	40875203	QJISVABLQCOWQF-VIFPVBQESA-N	232.714	3.336	0	1	BGAF	
CC(C)=C(O)[C@@]1(C)CC=C2CCCN2C1	155574155	MADDGDZCXMHQDC-ZDUSSCGKSA-N	207.317	3.228	0	1	BGAF	
Clc1ccnc2[nH]c(C=C3CCC3)nc12	587965053	MTWJVHWFIMHLQI-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
COc1ccc(-c2cc3c([nH]2)CCC3)cc1	1772597761	LGSAXSHAKOJQNT-UHFFFAOYSA-N	213.280	3.179	0	1	BGAF	
O=P1(c2ccc(C(F)(F)F)cc2)CCC1	1911582858	BDSNCQHWQAAJKP-UHFFFAOYSA-N	234.157	3.098	0	1	BGAF	
CCNc1nc(-c2ccc3[nH]ncc3c2)cs1	66076539	PYHCYHNXLIEWSB-UHFFFAOYSA-N	244.323	3.118	0	1	BGAF	
C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@H]3C[C@H]12	238746974	SBAMSVPJQFNYQW-OYZIVPPTSA-N	234.339	3.010	0	1	BGAF	
CC(C)[C@@H]1SCc2nc3ccccc3n21	5498938	CRQBLABDWHLEIW-LBPRGKRZSA-N	218.325	3.438	0	1	BGAF	
Cc1nccc2c1C[C@@H](CC[C@@H](C)O)C2(C)C	14688565	IMDXDPUTIISQIM-ZYHUDNBSSA-N	233.355	3.001	0	1	BGAF	endogenous,in-man
Cc1ccc(C2=NO[C@H](c3ccccc3)O2)cc1	49113045	VHFURVMNGNYNPP-OAHLLOKOSA-N	239.274	3.402	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(F)cnc2[nH]1	586890919	PSHKBSUCIWTQDH-UFBFGSQYSA-N	219.263	3.001	0	1	BGAF	
CC1(C)Cc2c1nc1cccc3c1c2CC3	587213468	IQSQRFALWFGYAO-UHFFFAOYSA-N	209.292	3.167	0	1	BGAF	
Nc1ccccc1/C=C/c1cccc(O)c1	653751791	YLRRFECMECIGDH-CMDGGOBGSA-N	211.264	3.145	0	1	BGAF	
CC1=C2[C@H](C[C@@H]3CCC[C@@H]4CC[C@@H]2[C@]34C)OC1=O	2356462622	YOLUHJBWUANMDW-UWHVMBRKSA-N	246.350	3.465	0	1	BGAF	
c1ccc2c(c1)CN1CC[C@@H]3CCC[C@H]2[C@H]31	2356480414	CDIONMUWHFYLPO-GLQYFDAESA-N	213.324	3.158	0	1	BGAF	
CC1=CC[C@H](O)[C@H](C)C=C[C@H](C(C)(C)O)CC1	2356561150	RBBWQOZTCXYKSH-MCIONIFRSA-N	238.371	3.057	0	1	BGAF	
Cc1c(C)c2c(c3c1C(=O)C(=O)N3)[C@H](C)C[C@H]2C	2356790568	FSGQJQMRIIPDRW-RNFRBKRXSA-N	243.306	3.049	0	1	BGAF	
CCCCN[C@@H]1CCc2c(F)cccc2C1	13760020	VXPJDPSEYZZZEM-GFCCVEGCSA-N	221.319	3.073	0	1	BGAF	
Cc1cc2c(C)coc2c2c1CC[C@@H]([C@@H](C)O)O2	14829699	RJFPIJMZSUUNHA-MFKMUULPSA-N	246.306	3.124	0	1	BGAF	biogenic
Cc1ccc2c(n1)C[C@H](C(C)(C)O)CC[C@H]2C	15265309	LWYMRLDOLMZJGZ-ZYHUDNBSSA-N	233.355	3.217	0	1	BGAF	biogenic,in-vitro
O=NCc1nc(-c2cccc3ccccc23)no1	169713437	ONBKNTGYYSUDBQ-UHFFFAOYSA-N	239.234	3.156	0	1	BGAF	
CC[C@@H]1OCCC[C@@H]1c1nc2ccccc2[nH]1	586914842	YPXUNGAVGAYWLL-GWCFXTLKSA-N	230.311	3.236	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2cnccc2[nH]1	587966883	HUJJKTTZWJLNHD-NXEZZACHSA-N	213.284	3.028	0	1	BGAF	
CCCN(CCC)CCc1ccc(C)c(O)c1	26174552	GGSWFNYJXYRVFD-UHFFFAOYSA-N	235.371	3.365	0	1	BGAF	
C1=N[C@@H](c2ccccc2)Cc2ccccc2N1	27092140	YXYCLARWQZIXDL-OAHLLOKOSA-N	222.291	3.424	0	1	BGAF	
O=C(C[C@H](O)c1cccs1)c1cccs1	203784126	UFXLCNNVYHKAJM-QMMMGPOBSA-N	238.333	3.116	0	1	BGAF	
CCc1nccc2c1[N+](=O)c1ccccc1-2	238758203	MNFBTRKTURUEAG-UHFFFAOYSA-N	211.244	3.226	0	1	BGAF	
COc1ccc2c(=O)cc(-c3ccoc3)oc2c1	653738041	FDPZAVNYCMVCFC-UHFFFAOYSA-N	242.230	3.062	0	1	BGAF	
CC1=N[C@](C)(C23CC4CC(CC(C4)C2)C3)CO1	1857652871	AGAUCWQRLPJTNB-IHXHZNKUSA-N	233.355	3.410	0	1	BGAF	
COc1ccc(CCC2=C(O)C=C[C](C)N2)cc1	2356867995	GDSSPEXOUGGNGK-UHFFFAOYSA-N	244.314	3.109	0	1	BGAF	
CC1(C)c2ccccc2[C@@H](O)C12CCC(=O)CC2	1642162	WFKWOODOULRKGA-CQSZACIVSA-N	244.334	3.141	0	1	BGAF	
O=C1NCc2c(-c3ccccc3)[nH]c3cccc1c23	13491969	IYQQQOPMPOKHBL-UHFFFAOYSA-N	248.285	3.078	0	1	BGAF	
Cc1ccc(O)c([C@@]2(CO)CCCC2(C)C)c1	15273658	RWRCROWOIGNRGD-HNNXBMFYSA-N	234.339	3.141	0	1	BGAF	biogenic
CCOC(=O)CCc1ccc2ccccc2c1O	27201166	AQZBITOADVVNBT-UHFFFAOYSA-N	244.290	3.041	0	1	BGAF	
Cc1c(CO)cc2n1[C@@H](c1ccccc1)SC2	64403840	CSQMLAZYNMAADB-CQSZACIVSA-N	245.347	3.083	0	1	BGAF	
Cc1ccc(-c2ccc(C(=O)O)c(O)c2)s1	73196127	IMAOTUPVMPSMSE-UHFFFAOYSA-N	234.276	3.127	0	1	BGAF	
C[C@@H]1C(=O)CC[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@]4(C)C3	95914128	IWGZPPJFOPNORI-COPIHEOBSA-N	218.340	3.428	0	1	BGAF	biogenic,in-vitro
COc1ccc(Cl)c(Cl)c1[C@@H]1C[C@H]1CN	653709072	WYOQWFHMSQKDSW-NKWVEPMBSA-N	246.137	3.064	0	1	BGAF	
C[C@H](CN(C)C)c1ccc(N2CCCCC2)cc1	3602528	AHWWMSLYBNNVNV-CQSZACIVSA-N	246.398	3.342	0	1	BGAF	
CNC(C)(C)Cc1c2c(cc3c1CCC3)CCC2	5383931	SHYMBVCIXLZRKP-UHFFFAOYSA-N	243.394	3.205	0	1	BGAF	
CC1=C2[C@H](O)[C@@H](C(C)C)CC[C@@]2(C)CCC1=O	14452635	RAKDEZGVSLSJSS-DFBGVHRSSA-N	236.355	3.099	0	1	BGAF	biogenic
C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@H](C)[C@]1(C)O	14491165	KBYUKRPGFMWKGT-XGUBFFRZSA-N	238.371	3.057	0	1	BGAF	biogenic
CC(C)/C=C1\C[C@@H](c2ccccc2)N(C)C1=O	40916381	NBIXEUOXGKLBFX-SSUFTNFISA-N	229.323	3.172	0	1	BGAF	
CC[C@@H]1OCCC[C@@H]1c1nc2cccc(F)c2[nH]1	586909926	GCBRPVHZGXNRLA-CABZTGNLSA-N	248.301	3.375	0	1	BGAF	
O=C(c1n[nH]cc1Cl)c1coc2ccccc12	587280882	GGVWBIFRKYQFDD-UHFFFAOYSA-N	246.653	3.040	0	1	BGAF	
CN[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1	13557288	HLOCJJORRHQDKS-NVXWUHKLSA-N	237.346	3.353	0	1	BGAF	in-vivo
COc1cc(/C=C/c2cc(C)ns2)ccc1O	13820023	KXDBQBSFUXZFBZ-HWKANZROSA-N	247.319	3.336	0	1	BGAF	
Oc1cc(O)cc(/C=C/c2ccc(O)c(F)c2)c1	98208903	VDUXKKFOASWEKM-OWOJBTEDSA-N	246.237	3.113	0	1	BGAF	in-vitro
CC(C)[C@H]1CC[C@]2(C)[C@H]3CC=C(C(=O)O)[C@@H]2[C@H]31	238777445	OWRXXWMFSVYUSF-WEVZDULTSA-N	234.339	3.336	0	1	BGAF	
C[C@@H]1CCC2=C(COC2=O)[C@@H]2CC(C)(C)C[C@@H]12	2356529689	PNSDVYLOAYHPKJ-ADEWGFFLSA-N	234.339	3.322	0	1	BGAF	
C[C@H]1[C@H]2CC[C@@H](C)[C@H]2[C@@H]2[C@@H](C[C@H]1O)C2(C)C	2356780864	GVNNDIPIOZWPIP-DKYFYASOSA-N	222.372	3.322	0	1	BGAF	
O=C(CN1[CH]C=CC=C1)c1ccc(Cl)cc1	2356816804	IJBIGZIAUWDASY-UHFFFAOYSA-N	232.690	3.070	0	1	BGAF	
COc1ccc2cc(C)cc(OC)c2c1OC	14592452	BSURKHBKQTWXDC-UHFFFAOYSA-N	232.279	3.174	0	1	BGAF	biogenic
C[C@H](CCCCCCCCCC(=O)O)C(=O)O	38789145	WQASHJMJHNWVAP-LLVKDONJSA-N	244.331	3.303	0	1	BGAF	
Cc1cc(C)c2[nH]c3c(c2c1)C[C@H](N(C)C)CC3	39214026	LXQAACCQPLQUFH-GFCCVEGCSA-N	242.366	3.204	0	1	BGAF	
C[C@@H]1c2ccccc2O[C@@H]1CN1CCCCC1	40753320	MMYNKGGNYCLPKO-IUODEOHRSA-N	231.339	3.037	0	1	BGAF	
C1=C(c2ccc3ncccc3c2)C2CCN1CC2	653784888	MLQDEQHYJQYSLP-UHFFFAOYSA-N	236.318	3.301	0	1	BGAF	
CC1=C2[C@H](CC1)[C@H](C)CC[C@@H]1[C@H](C)C(=O)O[C@@H]21	2356534636	OCPXKGAHCXKMKP-YSUWEYJASA-N	234.339	3.321	0	1	BGAF	
Cc1ccc2c(N)cc(-c3ccccc3)nc2n1	13579509	ZUQJILBTGSLROV-UHFFFAOYSA-N	235.290	3.187	0	1	BGAF	
c1ccc2oc([C@H]3CN4CCC3CC4)cc2c1	13740324	DTDHZMMUUQJYIO-ZDUSSCGKSA-N	227.307	3.242	0	1	BGAF	
CC1=CCC(=C(C)C)C=C2C(CO)=CC=C12	15264758	RHJXLYKEPZLABW-UHFFFAOYSA-N	214.308	3.458	0	1	BGAF	biogenic
Oc1ccc2c(c1)C[C@@H](Nc1ccccc1)CC2	28865347	FKZPGNNLILPTPP-HNNXBMFYSA-N	239.318	3.362	0	1	BGAF	
Oc1ccc2c(c1)[C@@H]1[C@@H](CC2)[C@@H]1c1ccncc1	100025725	TVJLBISYUFEUTM-BPUTZDHNSA-N	237.302	3.231	0	1	BGAF	
C[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](CC[C@]2(C)O)C1(C)C	136906166	AYXPYQRXGNDJFU-RQWGMIHLSA-N	222.372	3.466	0	1	BGAF	
O=C(O)c1cc(-c2ccccc2)c(Cl)cc1O	169316058	JRBFDNUELHRTTO-UHFFFAOYSA-N	248.665	3.411	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@H]1C)O2	587405624	MMUKQAVLJBRUML-BMIGLBTASA-N	245.322	3.101	0	1	BGAF	
NCCCCCCCCCCCc1c[nH]cn1	13531693	AKTMNFPHGGUJFY-UHFFFAOYSA-N	237.391	3.422	0	1	BGAF	
CC1=C[C@@H]2c3c(C)coc3C[C@H](C)[C@]2(O)CC1	14828251	UZOQGANJGSVJFL-YWPYICTPSA-N	232.323	3.335	0	1	BGAF	biogenic
Cc1ccc(O)c2[nH]c(Cc3ccccc3)nc12	26276508	WDWFOAXVIPOWEZ-UHFFFAOYSA-N	238.290	3.168	0	1	BGAF	
C[C@@H]1CCc2ccc(Cl)c(Cl)c2CN1	27552368	XEAHOJNGYGBQTH-SSDOTTSWSA-N	230.138	3.418	0	1	BGAF	
Cc1c([C@@H]2C=CNC=N2)sc2ccccc12	205577286	GEQOCPZVCHTQFT-NSHDSACASA-N	228.320	3.396	0	1	BGAF	
CC[C@@H](C)c1nc2c(C)nc(C)cc2[nH]1	587956277	QFUGRHPPPTWRBU-SSDOTTSWSA-N	203.289	3.088	0	1	BGAF	
CC1=CC[C@@H]([C@](C)(N)CC=CC(C)(C)O)CC1	2356377609	GFOFMQYXBNROPZ-UKRRQHHQSA-N	237.387	3.167	0	1	BGAF	
COC(=O)C=Cc1ccc2c(c1)C=CC(C)(C)O2	2356602468	AOZKTJDXDYSFAE-UHFFFAOYSA-N	244.290	3.057	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CC[C@@H]3CO	2356670347	LGCJLUHHIWNSGQ-VVSAWPALSA-N	222.372	3.467	0	1	BGAF	
CC1=COC=C[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12	14710527	ASHFJTARVFWHHX-DOMZBBRYSA-N	244.290	3.218	0	1	BGAF	biogenic
C[C@@H]1CCC=C2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C	14856028	ARZRZIVMAWEEFY-VEPFAGFCSA-N	220.356	3.386	0	1	BGAF	biogenic
C[C@H]1CN(CC2=CC[C@H]3C[C@@H]2C3(C)C)C[C@@H](C)O1	23281922	FRFGTRYRIUTDCX-NEBZKDRISA-N	249.398	3.088	0	1	BGAF	
Cc1cccc(O)c1NC(=O)Nc1ccccc1	28891433	YSMQPNABFKLKBF-UHFFFAOYSA-N	242.278	3.345	0	1	BGAF	
CCOCc1cccc2c1CC[C@@H]2c1ncc[nH]1	40402634	VNPMWPRPDVXRGM-AWEZNQCLSA-N	242.322	3.024	0	1	BGAF	
Clc1cc2c(cn1)Cc1ccccc1-2	40860364	UNKZSTRMZNFIBO-UHFFFAOYSA-N	201.656	3.306	0	1	BGAF	
CCOC(=O)/C=C\Oc1ccccc1C(C)C	49808023	GTKCKVIWYAWMJH-KTKRTIGZSA-N	234.295	3.266	0	1	BGAF	
O=C1C[C@@H](NC2CCCCC2)c2ccccc21	64479848	JZZUZPRNBHHNMQ-CQSZACIVSA-N	229.323	3.236	0	1	BGAF	
O[C@H]1C=CC2=CCc3cccc4ccc1c2c34	85589607	CDYIVSAQQUIYKS-AWEZNQCLSA-N	220.271	3.383	0	1	BGAF	endogenous,in-man
CC(C)=CCC[C@H](C)[C@H]1CC=C(C)[C@H](O)[C@H]1O	231162341	SDAWXTDBEYZMMX-ATGSNQNLSA-N	238.371	3.057	0	1	BGAF	
Cc1ccc([C@@H]2C[C@H](O)Cc3ccccc3N2)o1	299833665	ZDYOBDYRGGBVHQ-OCCSQVGLSA-N	243.306	3.048	0	1	BGAF	
CCN1c2ncccc2C=Cc2cccnc21	7504	VUBCRLXMOBPPHX-UHFFFAOYSA-N	223.279	3.118	0	1	BGAF	
Cc1cc(=O)oc2cc3oc4c(c3cc12)CCC4	13681133	BVRKJVRVZRHNKQ-UHFFFAOYSA-N	240.258	3.336	0	1	BGAF	
CC1(C)c2ccoc2C[C@H]2C=C(CO)CC[C@H]21	15222140	LSFIXRNHHDUYQO-VXGBXAGGSA-N	232.323	3.058	0	1	BGAF	biogenic
CC1=CCC2=C(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	38272394	WBHVRMWEPJHOHP-GHYVTOPFSA-N	232.323	3.241	0	1	BGAF	biogenic,in-vitro
CNc1ccc2nc(-c3cccc(F)c3)oc2n1	205326397	MLKQRPXWMKSQNT-UHFFFAOYSA-N	243.241	3.071	0	1	BGAF	
COc1c(-c2ccccn2)[nH]c2cc(F)ccc12	587636906	OVKKOGFIAUEGQC-UHFFFAOYSA-N	242.253	3.378	0	1	BGAF	
CC[C@H](C)c1nc2c(F)cnc(Cl)c2[nH]1	587954744	BWJUDMJMWRZNSV-YFKPBYRVSA-N	227.670	3.264	0	1	BGAF	
CC1(C)CCCC2=CC[C@](C)(O)[C@H](O)C[C@@]21C	2356566226	CNBXXCQPWFOWPO-SNPRPXQTSA-N	238.371	3.035	0	1	BGAF	
C[C@H](OCCCc1ccccc1)n1ccnc1	4631790	HAIOODZMEIPPDE-ZDUSSCGKSA-N	230.311	3.051	0	1	BGAF	
O=c1oc2ccccc2cc1Cc1ccccc1	13376406	JYRBNAFFPVAQRG-UHFFFAOYSA-N	236.270	3.384	0	1	BGAF	
C=Cc1ccc2c(c1)C(OC)=CC(C)(C)O2	206762446	XRWDXWKXFWEYCB-UHFFFAOYSA-N	216.280	3.488	0	1	BGAF	
Cc1cc2c(cc1O)[C@@]1(C)CC[C@H](O1)[C@H](C)C2	1857584413	QNSBGLNDIHZTAO-WKPIXPDZSA-N	232.323	3.287	0	1	BGAF	
OCCc1ccc(/C=C/c2ccccc2)cc1	1857587887	LITDLHKMDPUHNV-VOTSOKGWSA-N	224.303	3.392	0	1	BGAF	
Cc1cccc(N[C@H]2OCCc3ccccc32)n1	1857639664	FAFHLGMFQVTEMF-HNNXBMFYSA-N	240.306	3.073	0	1	BGAF	
CCOC(=O)c1cc(-c2cccc(O)c2)oc1C	95568596	AUTTXECRJHAICF-UHFFFAOYSA-N	246.262	3.137	0	3	BGAF	
Cc1ccc([C@H](C)Sc2ncccn2)cn1	27632116	RSVFMVAUWNVOOK-JTQLQIEISA-N	231.324	3.033	0	1	BGAF	
CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC[C@@]3(C)O	59586979	XEAXSPJWIVZRTF-FAAHXZRKSA-N	238.371	3.275	0	1	BGAF	biogenic,in-vitro
NC12C[C@H]3C[C@H](C1)CC(C1CCCCC1)(C3)O2	101669299	AOLXEMDNMKBYSB-XOEAPDPESA-N	235.371	3.201	0	1	BGAF	
C[C@]12CC=C(c3ccc(O)cc3)C[C@H]1CC[C@@H]2O	140019023	XBWTXUWSQSKTNB-KBMXLJTQSA-N	244.334	3.347	0	1	BGAF	
Cc1n[nH]c2ccnc(N(C)C3CCCCC3)c12	146219139	MYURHMROBXQVCM-UHFFFAOYSA-N	244.342	3.035	0	1	BGAF	
COc1cccc(CCc2ccc(O)cc2)c1	6019043	QHWSNPUNTSCHIE-UHFFFAOYSA-N	228.291	3.186	0	1	BGAF	biogenic
CCCN1CC[C@H]2c3cccc(OC)c3CC[C@@H]21	13826531	VUKJBNUKLLGULS-ZFWWWQNUSA-N	245.366	3.209	0	1	BGAF	
C1=C[C@@H]2C[C@H]1C[C@H]2c1nc2ccccc2[nH]1	16525067	VDDUKNDESHFTPX-HBNTYKKESA-N	210.280	3.243	0	1	BGAF	
CCCCCCNc1nc2ccccc2c(=O)o1	27526815	VLADJZKYLVJEOC-UHFFFAOYSA-N	246.310	3.180	0	1	BGAF	
CCCC[C@H]1[C@H](O)CCC[C@@]12CCCCN2C	28009945	JQAAYMWQZFOCNY-ZNMIVQPWSA-N	239.403	3.192	0	1	BGAF	
Cc1cccc(-c2ncc3ccc(C)nc3n2)c1	28826502	AHSIQPYQWYRYSS-UHFFFAOYSA-N	235.290	3.309	0	1	BGAF	in-vivo
CCc1cc(C(=O)c2coc3ccccc23)no1	587280343	BCFLDCJMVZARBX-UHFFFAOYSA-N	241.246	3.214	0	1	BGAF	
Cc1c(-c2cnc(N)s2)c2ccccc2n1C	653726120	CLQXDBMZJCGEFR-UHFFFAOYSA-N	243.335	3.192	0	1	BGAF	
CC1=CC(=C[C@H](C)c2ccc(C)c(O)c2)OC1=O	2356730169	LYKZQZBBOGVEJA-JTQLQIEISA-N	244.290	3.191	0	1	BGAF	
CC1(C)N(O)C(c2ccccc2)=C[N+](=O)C1(C)C	13116100	PXLFAHYWWYQFPA-UHFFFAOYSA-N	247.318	3.026	0	3	BGAF	
CC1=C2C[C@H](O)[C@H](C)[C@@H]2[C@@H]2[C@@H](CC1)C2(C)C	13372971	IZONCCDNUJQVJH-SWTDPAGASA-N	220.356	3.386	0	1	BGAF	biogenic
CN1CCCC[C@H]1CCc1ccccc1	13800785	SUAJALJLPQBEIS-AWEZNQCLSA-N	203.329	3.104	0	1	BGAF	
O=C(O)c1c(O)cccc1CC1CCCCC1	28861921	CPXLKRDSMQSBRJ-UHFFFAOYSA-N	234.295	3.213	0	1	BGAF	
CCC(=O)OCC[C@H]1[C@@H]2CC[C@@H](C2)C1(C)C	29042486	JWIVMIHVUHDBRA-WOPDTQHZSA-N	224.344	3.402	0	1	BGAF	
CC(C)[C@H]1CC(=O)c2coc3c2[C@H]1C[C@@H](C)[C@H]3O	33830726	VIULXZNWHKRQPB-DLVJRCHESA-N	248.322	3.295	0	1	BGAF	
c1ccc(-c2cncnc2-c2ccncc2)cc1	169318168	ONLQWCIZUHKYPA-UHFFFAOYSA-N	233.274	3.206	0	1	BGAF	
CC1=C2C/C=C(\C)CC/C=C(\C)CO[C@@H]1OC2=O	198862471	COBIVDVGHHGCON-UPLIDKFQSA-N	248.322	3.279	0	1	BGAF	
C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)C[C@@H]3C[C@]3(C)[C@@H]21	238767584	DXIBNMIMMBDQQP-IHEQOVHZSA-N	234.339	3.010	0	1	BGAF	
C[C@H]1CCCC2=CC[C@H]3[C@@H]([C@@]21C)[C@]3(C)C(=O)O	238771224	PRPOHLJKTWVIRD-CPSKLWFRSA-N	234.339	3.480	0	1	BGAF	
CSc1nc(-c2ccc(O)cc2)cs1	2356806695	VWCMCHPJTHTZIP-UHFFFAOYSA-N	223.322	3.238	0	1	BGAF	
CCCC(=O)C[C@H](C)[C@H]1C=C[C@@](C)(O)CC1	2356846910	ORURTTPKMLIRJU-SGMGOOAPSA-N	224.344	3.099	0	1	BGAF	
OCC[C@H]1CCCCN1C1CCCCCCC1	221106	GFXOPXZOPZBCKA-OAHLLOKOSA-N	239.403	3.336	0	1	BGAF	
CC1=C[C@]2(O)O[C@]3(CC2=C(C)C)[C@@H](C)CC[C@@H]13	5822662	ISFMXVMWEWLJGJ-VIRABCJISA-N	234.339	3.177	0	1	BGAF	biogenic,in-man
CC(C)[C@H]1CC(=O)c2coc3c2[C@H]1C[C@H](C)C3=O	14439223	ITOFWMRNIIFZKF-AEJSXWLSSA-N	246.306	3.444	0	1	BGAF	biogenic,in-vitro
C[C@H]1Cc2c(C(=O)O)cc(O)c3c2[C@H]1CC[C@H]3C	14689192	MLNIJTRDXCDNQZ-VGMNWLOBSA-N	246.306	3.264	0	1	BGAF	biogenic
CCO[C@H]1CCCc2nc3ccccc3c(N)c21	26675244	WWSLHLXLZRNWKN-ZDUSSCGKSA-N	242.322	3.231	0	1	BGAF	
Cc1cnccc1/C=C/c1ccc(N)cc1	36382732	ZVOUYFRBITULRO-GORDUTHDSA-N	210.280	3.143	0	1	BGAF	
O=c1cc(/C=C/c2cccnc2)oc2ccccc12	39273689	PLCLSBMQAKEBIG-BQYQJAHWSA-N	249.269	3.358	0	1	BGAF	
CC(C)N(Cc1cnc[nH]1)c1cccc(Cl)c1	95558650	UQYBANUOFYJXRZ-UHFFFAOYSA-N	249.745	3.478	0	1	BGAF	
C[C@H]1[C@@H](O)CCC2=CC[C@H]3[C@H](C3(C)C)[C@@]21C	140127200	FILZQHSQXIHNEM-FIRSIQCYSA-N	220.356	3.386	0	1	BGAF	
Fc1ccc(Oc2nccc3[nH]ccc23)cc1	169325535	ISIATOZGACZZRA-UHFFFAOYSA-N	228.226	3.494	0	1	BGAF	
CC(C)c1cc(Cl)cc(CC2=NCCN2)c1	474608455	MAQGIGWOQVVLTI-UHFFFAOYSA-N	236.746	3.008	0	1	BGAF	
CCC=C(C)C=Cc1cc(OC)c(C)c(=O)o1	2356475372	ZEUIJMZTMKDWAC-UHFFFAOYSA-N	234.295	3.326	0	1	BGAF	
O=C1CCCC[C@H]1CC[C@H]1CCCCC1=O	2356616002	PHXJQWXJIQTVIY-TXEJJXNPSA-N	222.328	3.285	0	1	BGAF	
CC(=O)c1c(C)cc(O)c(CC=C(C)C)c1O	2356718984	LZVUKJJVOUNEDB-UHFFFAOYSA-N	234.295	3.118	0	1	BGAF	
Cc1ccccc1OCCCCCn1ccnc1	2496708	OUCXVPKFMSVDNV-UHFFFAOYSA-N	244.338	3.441	0	3	BGAF	
c1cncc(-c2nc(-c3ccco3)cs2)c1	3229533	MUTUUTTVBDBCGI-UHFFFAOYSA-N	228.276	3.465	0	3	BGAF	
O=C(Nc1nccs1)[C@H]1[C@H]2C=CCCCC[C@H]21	4809962	QVRUJMJSJXRQQT-AXFHLTTASA-N	248.351	3.074	0	1	BGAF	
O=C1c2ccccc2-c2c1oc1ccccc1c2=O	13376231	CXXCRLLJRGEAJV-UHFFFAOYSA-N	248.237	3.004	0	1	BGAF	biogenic
C[C@@H]1CN(c2ccncc2)Cc2ccccc21	13489835	HHEZCTJDFDQBCZ-GFCCVEGCSA-N	224.307	3.205	0	1	BGAF	
C/C=C/CCCCC(=O)[C@@H](C)C(=O)N1C=CCC1	14593226	JGNMZTXDOHXIJQ-ITDFMYJTSA-N	249.354	3.074	0	1	BGAF	in-vitro
Cc1ccc(C)c2c3c([nH]c12)CC[C@H](N(C)C)C3	169346223	KDZNWMRCHGVHAE-LBPRGKRZSA-N	242.366	3.204	0	1	BGAF	
CC(C)[C@@H]1CC[C@H](C)[C@]23CC(CO)=C[C@H]2[C@H]13	2356643771	FETRHPNVBWGLFA-MFGQWXODSA-N	220.356	3.243	0	1	BGAF	
CC=C[C@@H]1C[C@@H](OC(C)=O)c2cc(C)ccc2O1	2356696820	UJBLFMCIUSMFDE-IUODEOHRSA-N	246.306	3.326	0	1	BGAF	
CC1=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]2C(O)=C1	2356756795	PPFMQQOEBRCEBH-FPMFFAJLSA-N	248.322	3.292	0	1	BGAF	
C[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2C	13454266	JBSRPCWYMOJXAM-VBNZEHGJSA-N	245.366	3.154	0	1	BGAF	
CC1=CCC2=C(C)CCC3=C(C)C(=O)O[C@@H]3[C@H]12	15264849	FRPSUTLKKACGJQ-KGLIPLIRSA-N	230.307	3.305	0	1	BGAF	biogenic
O=C(O)c1cc(/C=C/c2ccccc2)ccc1O	40379337	JZELPKQSIAYAOP-VOTSOKGWSA-N	240.258	3.261	0	1	BGAF	
Cc1cc(N(Cc2cnc[nH]2)C(C)C)ccc1F	96177504	QYEXPUIOVSAFAO-UHFFFAOYSA-N	247.317	3.272	0	1	BGAF	
Cc1c([C@@H](C)CN(C)C)[nH]c2cccc(F)c12	587635603	OGKZIAKCDKRVPP-VIFPVBQESA-N	234.318	3.281	0	1	BGAF	
CCC=CC[C@@H]1C(=O)CC[C@H]1CCCC(=O)O	2356441254	LVQJNKFFJNUFNY-NEPJUHHUSA-N	238.327	3.193	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@]2(O)C1	15207527	WAZNECYIZXVFKE-LXTVHRRPSA-N	240.387	3.115	0	1	BGAF	biogenic
CCCC1(CCC)C(=O)Nc2ccccc2C1=O	49070487	UGBGJRMFUQDXNU-UHFFFAOYSA-N	245.322	3.408	0	1	BGAF	
CC(C)Cc1ccc([C@H](C)C(=O)CN=O)cc1	169729106	AIFHEQFSYZZKKX-NSHDSACASA-N	233.311	3.324	0	1	BGAF	
C/C(=C\CC[C@@]1(C)O[C@@]2(C)CC[C@@H]1[C@@H]2C)CO	238761950	PXVKOXQKGLNFDE-LUZWHFLASA-N	238.371	3.299	0	1	BGAF	
C[C@@H](C(=O)O)c1ccc(-c2ccncc2)c(F)c1	13672499	RXVYMKYGSXJURY-SECBINFHSA-N	245.253	3.076	0	1	BGAF	
CC1=C2C(=C(O)C3=C([C@@H](C)CCC3)[C@H]2C)OC1=O	14829690	FSMPVSLGRGLHBK-JGVFFNPUSA-N	246.306	3.396	0	1	BGAF	biogenic
C/C(Cl)=C/C=C/C=C/C=C\C=C\C(=O)O	169328680	XUUUHVRPNJADCG-FOKWUNEDSA-N	224.687	3.438	0	1	BGAF	
CCCCCCOc1ccc(C2=NCCO2)cc1	200936295	FTFRPARVGSBALM-UHFFFAOYSA-N	247.338	3.423	0	1	BGAF	
O=C1CCC[C@@H](c2nc3ccc(F)cc3[nH]2)CC1	586885129	XWBQHAWNFXOVPZ-SECBINFHSA-N	246.285	3.319	0	1	BGAF	
CC1(C)[C@H]2[C@@H]3C=C[C@@H]4CCC[C@@]42[C@H](O)[C@@]1(C)C3	2356569525	YRCJFEFEIFAJFE-QIDIWCQUSA-N	232.367	3.386	0	1	BGAF	
CC1=CC=C2C(C)=CC[C@@H]([C@@H](C)C(=O)O)C=C12	2356667150	JGCYLNRSJNVUQP-VXGBXAGGSA-N	230.307	3.486	0	1	BGAF	
CCC=CCC=CCCC=CC=C[C@H](O)[C@@H](C)N	2356791193	ILYNRSKFLRVBPQ-CVEARBPZSA-N	249.398	3.500	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(CO)=CC[C@@H]3[C@@H]([C@H]21)C3(C)C	2356838982	MFBXCTANYKWTRT-KVRLPLMBSA-N	220.356	3.243	0	1	BGAF	
Cc1cc2c(cc1O)[C@@H](CO)CC[C@@H]2C(C)C	13381482	DXCLZSITICUANS-VXGBXAGGSA-N	234.339	3.310	0	1	BGAF	biogenic
CC1=C[C@@H]2OC(=O)[C@]3(C)CCC[C@@]3(C)[C@@H]2CC1	14948233	VCDRKAPIAYGOJF-DHMWGJHJSA-N	234.339	3.465	0	1	BGAF	biogenic
Cc1ccc2c(Cl)c3c(nc2c1)C=CNN=C3	28713084	ODGUGWXJDFGDGJ-UHFFFAOYSA-N	243.697	3.104	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(C)nc2[nH]1	586890201	NSZRGDZYQGVDPR-RNCFNFMXSA-N	215.300	3.170	0	1	BGAF	
CC[C@@H](C(C)C)[C@]1(C)NCCc2c(C)ccnc21	963083489	CKIZINQQCLNFHA-HOCLYGCPSA-N	246.398	3.433	0	1	BGAF	
CC1=C[C@H](O)[C@H]([C@H](C)CCC[C@@H](C)CO)CC1	14859930	GEEPKSLYIJDCEN-KBXIAJHMSA-N	240.387	3.138	0	1	BGAF	biogenic
Fc1ccccc1NCc1nc2ccccc2[nH]1	96901573	HLFFZHTVMFKPPB-UHFFFAOYSA-N	241.269	3.314	0	1	BGAF	
CC1=C2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)CCC1	196833782	IVACOVAJGWWAAS-CVMIBZJCSA-N	234.339	3.465	0	1	BGAF	
C[C@@H]1CC(=O)c2c(noc2Cc2ccccc2)C1	1857758913	QXKCMOGJKPBOSI-JTQLQIEISA-N	241.290	3.030	0	1	BGAF	
C[C@@H]1CCC[C@@]2(O)[C@H]1[C@H]1CC[C@@]2(C)OC1(C)C	2356713431	IMOIQZWBHGLKFZ-URFZWBKFSA-N	238.371	3.131	0	1	BGAF	
CC[C@@H](C)C[C@H](C)c1cc(O)c(C)c(=O)o1	2356868958	XGKUCWRDDUBLFW-BDAKNGLRSA-N	224.300	3.194	0	1	BGAF	
CCCC[C@@H](C)Cc1cccc(O)c1C(=O)O	28861934	QYIXELAYIFNLBH-SNVBAGLBSA-N	236.311	3.459	0	1	BGAF	
Cc1ccc(OCC(=O)O)c(-c2ccccc2)c1	38351578	WMFKXIMPCPHWNK-UHFFFAOYSA-N	242.274	3.125	0	1	BGAF	
c1csc([C@H](NC2=NCCCC2)C2CC2)c1	39200597	VHNMPXXNYLJDCV-CYBMUJFWSA-N	234.368	3.371	0	1	BGAF	
CN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@@H]1C2	100954911	ZTAVWHFBEHNKCY-KYOSRNDESA-N	213.324	3.088	0	1	BGAF	
COc1cc2nc(C3=CCCC3)[nH]c2cc1F	586884105	NYADRLYUAJFOBH-UHFFFAOYSA-N	232.258	3.278	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccccc2[nH]1	586886709	CVAWBCZSCQMXLC-RNCFNFMXSA-N	200.285	3.467	0	1	BGAF	
Fc1cc2[nH]c(C3=COCC3)nc2cc1Cl	586913875	UKLJIWIZMUMAAS-UHFFFAOYSA-N	238.649	3.117	0	1	BGAF	
Cc1cc2nc(COC(F)(F)F)[nH]c2cc1F	587125363	SBMPSIHHKJHYEX-UHFFFAOYSA-N	248.179	3.047	0	1	BGAF	
CC[C@H](C(C)C)[C@]1(C)NCCc2c(C)ccnc21	963083491	CKIZINQQCLNFHA-ZBFHGGJFSA-N	246.398	3.433	0	1	BGAF	
C[C@@H]1CC[C@]2(C)CC[C@H]3C[C@@]2(OC3(C)C)[C@@H]1O	2356769529	HHKGADPXFMXMQZ-BUONHZGMSA-N	238.371	3.131	0	1	BGAF	
CC1(C)c2ccccc2C(CN)c2ccccc21	13473112	LEVMGIZUIGSQFX-UHFFFAOYSA-N	237.346	3.417	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@H]1C[C@@H](O)C(C)=C[C@@H]1O	14859833	FPSDOHYYKFXKFR-NGFQHRJXSA-N	238.371	3.057	0	1	BGAF	endogenous,in-man
C/C=C/C=C\CCCCC(=O)NCC(C)C	33844249	RUZPYFCFWHFTJY-DEQVHDEQSA-N	223.360	3.451	0	1	BGAF	
Fc1ccccc1-c1cc(NCC2CC2)ncn1	82161909	GERZCNHKAFXHQP-UHFFFAOYSA-N	243.285	3.105	0	1	BGAF	
c1cnc2ccc3nc(C4CCC4)[nH]c3c2c1	586883893	HZGGYVJEDNEYKN-UHFFFAOYSA-N	223.279	3.379	0	1	BGAF	
C[C@@H]1CC[C@@H]2C[C@](C)(O)C[C@@H]3[C@H]([C@@H]12)C3(C)C	2356518340	NKIWRYQBASKLRK-LREAXHOUSA-N	222.372	3.466	0	1	BGAF	
C[C@@H]1CC[C@H](O)[C@@]2(C)CC[C@H]3C[C@@]12OC3(C)C	2356677174	KBDUCUDIASUHFM-CYHVGBIXSA-N	238.371	3.131	0	1	BGAF	
CN[C@]12CCCC[C@@H]1CCc1ccc(OC)cc12	26156172	ZQHRQDBVWWEKHW-CZUORRHYSA-N	245.366	3.246	0	1	BGAF	
Cc1cccc(C(=O)[C@@H](C)NC2CCCC2)c1	45348726	VLLKJTHFWNJPCE-GFCCVEGCSA-N	231.339	3.098	0	1	BGAF	in-vivo
CC(=O)OCC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	101138128	PTSRRNQCSHSVHW-SRVKXCTJSA-N	210.317	3.012	0	1	BGAF	
CCN(CC)C12C[C@@H]3C[C@H](CC(CC)(C3)O1)C2	101546652	KGDKJEMGFLSUBU-LMRVLLHPSA-N	237.387	3.414	0	1	BGAF	
C[C@@H]1C(=O)O[C@H]2C=C3CCC[C@H](C)[C@@]3(C)C[C@@H]12	238744681	RQEWSAVTNKKKGY-KVUDVHCYSA-N	234.339	3.321	0	1	BGAF	
C[C@H]1[C@H]2O[C@@H]3CC[C@]4(C=CC[C@@H](C)[C@]4(C)[C@@H]31)O2	238775647	GTARSQGFXOXFHP-YLYOMACISA-N	234.339	3.129	0	1	BGAF	
CC1=C[C@H](O)[C@H]2[C@H]3[C@H]1[C@@]2(C)CCCC3(C)C	2356539710	XQPMEWZJPNAPBK-XOBFJNJYSA-N	220.356	3.386	0	1	BGAF	
CC1=C[C@H]2C[C@@H](C)[C@]1(C)[C@@H](O)Cc1ccoc12	14612100	IJVZDWKOTWSBKM-GVUJHPQVSA-N	232.323	3.273	0	1	BGAF	
COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@@H]1C2	100858640	BXNXEXWOZMNHST-DGCLKSJQSA-N	242.318	3.433	0	1	BGAF	
CC(C)C(=O)O[C@H]1C[C@H]2CC[C@@H]1C2(C)C	205360860	DETIUJFRMROGKX-VWYCJHECSA-N	210.317	3.010	0	1	BGAF	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C)[C@@H]3C=C12	238731452	UHXFRFWUSTUALX-AQUXLQGKSA-N	234.339	3.321	0	1	BGAF	
CC(=O)[C@H]1CC[C@H]2[C@@H]1C[C@@H](C(C)C)C[C@@]2(C)O	238742544	KBWLTYXBEUQKLG-ARILJUKYSA-N	238.371	3.035	0	1	BGAF	
O=C1CCC[C@H](c2nc3ccccc3[nH]2)CC1	586883368	BLSAQVFJYBWDGL-JTQLQIEISA-N	228.295	3.180	0	1	BGAF	
Cc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1F	587198568	KNGIQLSQPXDVAK-ZDUSSCGKSA-N	249.333	3.269	0	1	BGAF	
CC[C@H](C)c1nc2cc(OC)c(C)cc2[nH]1	587955899	LZGPFZUNRLHDFB-QMMMGPOBSA-N	218.300	3.393	0	1	BGAF	
COCCc1c(C)cc2c(c1C)C(=O)C(C)(C)C2	6070292	OJOSRHYPGDXYOR-UHFFFAOYSA-N	246.350	3.257	0	1	BGAF	biogenic,in-vitro
Cc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)cc1	6275279	CSXJSMPOTUWCIM-SCRDCRAPSA-N	229.323	3.370	0	1	BGAF	
CC1(C)CCC=C2CO[C@@]3(C)CC[C@]21O3	13457482	AKKNWGRLXKHQDH-OLZOCXBDSA-N	208.301	3.028	0	1	BGAF	endogenous,in-man
CCC[C@@H]1CCCN[C@@H](c2cccnc2)C1	28460065	WETURKIDZIDHTP-TZMCWYRMSA-N	218.344	3.313	0	1	BGAF	
CCN(Cc1cnc[nH]1)c1ccc(Cl)cc1	96177492	VFLLCPGBKAAPSJ-UHFFFAOYSA-N	235.718	3.090	0	1	BGAF	
C[C@H]1CC[C@@H]2[C@H]([C@@H]3[C@H](C)CC[C@@]13O)C2(C)C	238749866	QWRTXOOFEHOROQ-RGOPTCMMSA-N	222.372	3.466	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCCC(CO)=C2C1	238788040	STQLSAZYTMFDFX-IUODEOHRSA-N	238.371	3.037	0	1	BGAF	
C[C@@H]1CC[C@@H](O)[C@@]2(C)CC[C@H]3C[C@@]12OC3(C)C	2356677173	KBDUCUDIASUHFM-BUONHZGMSA-N	238.371	3.131	0	1	BGAF	
CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3	13806903	PYONGVUMQJAWOL-OAHLLOKOSA-N	247.341	3.343	0	1	BGAF	
N[C@H]1[C@H]2CC[C@@H]1c1c(cccc1C(F)(F)F)C2	26289455	FNNWVHKNBUNHFU-SBMIAAHKSA-N	241.256	3.082	0	1	BGAF	
Oc1ccc2nc(-c3ccccc3)ncc2c1	142228103	FBIFCFFECWRTPQ-UHFFFAOYSA-N	222.247	3.002	0	1	BGAF	
CC(C)Cc1cc(O)c(-c2ccccc2)c(=O)o1	653806083	UIUQOQZUVJQJSJ-UHFFFAOYSA-N	244.290	3.211	0	1	BGAF	
CC(C)=CC=C1O[C@@H]2C=C(C)CC[C@@H]2[C@@]1(C)O	2356725952	ORTJVSXUILUUMF-GZBFAFLISA-N	234.339	3.343	0	1	BGAF	
CC(C)N[C@@H](C)C(=O)c1ccc2ccccc2c1	276778	RZEGAUHOOVLKOZ-LBPRGKRZSA-N	241.334	3.409	0	3	BGAF	
CC(=O)CC[C@@]12C(=O)C[C@@H](CC[C@H]1C)C2(C)C	14694803	JNYTXKVQDFVROJ-HCKVZZMMSA-N	236.355	3.387	0	1	BGAF	biogenic,in-vitro
FC[C@]12N[C@@H](Cc3ccccc31)c1ccccc12	100649066	LGHXZBIPTSRPJL-HOTGVXAUSA-N	239.293	3.100	0	1	BGAF	
C[C@H]1CCC(Nc2ccc3c(c2)CCC3)=N1	142979552	NZAREFBSJPPBIE-JTQLQIEISA-N	214.312	3.168	0	1	BGAF	
Cc1cnc(Cl)c2[nH]c(C(C)(C)Cl)nc12	587008656	NACUMNRIULSFAJ-UHFFFAOYSA-N	244.125	3.394	0	1	BGAF	
F[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4	587214138	WQACPSZOECHCMT-SNVBAGLBSA-N	227.282	3.160	0	1	BGAF	
COc1cccc(C=CC2=NCCCC2)c1	2356472387	VSZFPKSXBZLIQS-UHFFFAOYSA-N	215.296	3.333	0	1	BGAF	
C#C[C@@H]1CC[C@]2(C)C=CC[C@@H](COC(C)=O)[C@@H]2C1	14922762	KMMNDPPHHXBLCB-UGUYLWEFSA-N	246.350	3.181	0	1	BGAF	biogenic
CCCN1CCCC[C@@H](c2cccc(O)c2)C1	29247275	JSJAVEGAZSFDJW-CQSZACIVSA-N	233.355	3.372	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]3CO[C@@]4(C)CC[C@@]12C[C@@H]34	2356413347	XTUCGACHIRHVPO-IZMFDJJNSA-N	206.329	3.238	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1C[C@@H](O)C(C)=CC1=O	14444288	WCPOFVDXHFDXHS-IACUBPJLSA-N	236.355	3.265	0	1	BGAF	biogenic
Cc1c(Cc2cnc[nH]2)ccc2cc(O)ccc12	14946267	SMLGRXWAHSUELO-UHFFFAOYSA-N	238.290	3.168	0	1	BGAF	
CC(C)c1ccc2c(c1)C[C@@H]1CNC[C@H]2C1	28476032	WOACWYIUZSUINZ-SMDDNHRTSA-N	215.340	3.059	0	1	BGAF	
Cc1ccc2ccc(-c3ncc(F)cn3)cc2n1	28710055	KONBJOAAJTWNQY-UHFFFAOYSA-N	239.253	3.139	0	1	BGAF	
COCCC(=O)c1coc2ccc(Cl)cc12	587275679	DORAGHZTCFNPNK-UHFFFAOYSA-N	238.670	3.305	0	1	BGAF	
COc1cc2nc(C=C3CCC3)[nH]c2cc1OC	587965006	LUXDDSWEBJUPGG-UHFFFAOYSA-N	244.294	3.147	0	1	BGAF	
COc1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587967700	QWHCGAKGNZZWBT-HBNTYKKESA-N	240.306	3.251	0	1	BGAF	
c1ccc2c(c1)CC[C@H](Cc1ccncc1)C2	13736330	FDLCMFYBJRLDLN-CQSZACIVSA-N	223.319	3.429	0	1	BGAF	
CC(=O)CCC[C@H](C)[C@@H]1CCC(C)=CC1=O	14614544	XLPCKRSTCQYWCT-AAEUAGOBSA-N	222.328	3.307	0	1	BGAF	biogenic
Oc1cccc2c1CC[C@@H]1[C@@H](c3ccncc3)[C@H]21	36289331	GHVIXHADLSTRNY-FVQBIDKESA-N	237.302	3.231	0	1	BGAF	
Clc1ccc([C@@H]2C[C@H]3CCCC[C@H]2N3)cn1	261155227	PSZQXCJRVPDKIE-GRYCIOLGSA-N	236.746	3.123	0	1	BGAF	
CC[C@H](O)c1nc2cc(Cl)cc(Cl)c2[nH]1	586901754	ZOAQXVLUYOYFOU-QMMMGPOBSA-N	245.109	3.313	0	1	BGAF	
Cc1ccc(C)c2[nH]c([C@H](C(C)C)N(C)C)nc12	587198506	HNOIQROFLICSOH-AWEZNQCLSA-N	245.370	3.438	0	1	BGAF	
CC[C@@H]1Cc2c(nc3cccc4c3c2CC4)C1=O	587212453	AGQQONVLPUQHPQ-SECBINFHSA-N	237.302	3.098	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC1CC1)O2	587403468	MMZMHGVENXXEDE-HNNXBMFYSA-N	245.322	3.101	0	1	BGAF	
COc1cccc(/C=C/c2ccncc2)c1	653776573	RTMYSYMJOMPPRV-AATRIKPKSA-N	211.264	3.261	0	1	BGAF	
C[C@H]1CC[C@H](Oc2cccc3ccc(N)nc23)C1	28383625	XSBYTVRYECCAPQ-JQWIXIFHSA-N	242.322	3.384	0	1	BGAF	in-vivo
CCCC[C@@H](CC)[C@H]1NC(=O)c2ccccc2N1	72170691	YYUQLDLABXPGOV-BXUZGUMPSA-N	246.354	3.384	0	1	BGAF	
CCC(CC)CN1CCN=C1Nc1ccccc1	36386651	GGQLDKLGKLTFML-UHFFFAOYSA-N	245.370	3.206	0	3	BGAF	
Cc1cc2c(c(=O)o1)C=C1CCCC[C@]1(C)O2	28820356	MTHDJHJGWILYLQ-AWEZNQCLSA-N	232.279	3.057	0	1	BGAF	
C=C(c1ccccc1)c1cc(O)c(OC)cc1O	33830115	CYEIWRDPWBMTKB-UHFFFAOYSA-N	242.274	3.168	0	1	BGAF	biogenic,in-vitro
Cc1ccc(/C(O)=C(\O)c2ccc(C)cn2)nc1	35963011	ZYJSXHBSISRXTO-BUHFOSPRSA-N	242.278	3.035	0	1	BGAF	
CCO[P@](=O)(NC(C)C)Oc1ccccc1	72126281	UPTJLZWJYVNMQD-MRXNPFEDSA-N	243.243	3.208	0	1	BGAF	
O=c1ccc(Cl)cn1-c1ccc(Cl)cc1	73311628	JNEHVXAGXQRUEC-UHFFFAOYSA-N	240.089	3.144	0	1	BGAF	
CN1CC[C@@H]2c3c([nH]c4ccccc34)CC[C@H]2C1	13731922	DYADXWCUDMKIIG-RYUDHWBXSA-N	240.350	3.149	0	1	BGAF	
CC(=O)[C@@H]1CC[C@]2(C1)C(C)=CC[C@H](C)[C@@]2(C)O	140491419	YRDQPZFHCDPJPY-QOWREQOWSA-N	236.355	3.099	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2c(C)ccnc2[nH]1	586888284	IKDLMQPLZIYSFM-ZANVPECISA-N	215.300	3.170	0	1	BGAF	
Cc1c([C@H](C)CN(C)C)[nH]c2cccc(F)c12	587635600	OGKZIAKCDKRVPP-SECBINFHSA-N	234.318	3.281	0	1	BGAF	
O=C1C[C@H](c2ccsc2)Nc2ccccc21	1857649743	NFCYOCUGBVIMOY-GFCCVEGCSA-N	229.304	3.488	0	1	BGAF	
Cc1c(C2(O)CCCCC2)[nH]c2ncccc12	36388941	ASIZIFPZEBMJTD-UHFFFAOYSA-N	230.311	3.023	0	3	BGAF	
C[C@@H](C(=O)OC1CCCCC1)c1ccncc1	11686547	ZUSBLVRUYCSEGN-LLVKDONJSA-N	233.311	3.061	0	1	BGAF	
COc1ccc2[nH]c3c(O)cc(C)cc3c2c1	13334729	LEKGGBBXZXHCKV-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	biogenic
COc1ccc(CCc2ccccc2)cc1O	14651810	MFBFJSQTXYOUAV-UHFFFAOYSA-N	228.291	3.186	0	1	BGAF	biogenic
CCCC[C@@H]1C(=O)CCC[C@@]12CCCCN2C	28000093	OMWQXDXVKZYVPF-HIFRSBDPSA-N	237.387	3.400	0	1	BGAF	
C[C@@H]1C(=O)O[C@@H]2[C@H]1CC[C@@]1(C)CCC=C[C@]21C	238765072	XYRPFQSMNZIRED-CWFCOSEVSA-N	234.339	3.321	0	1	BGAF	
O=C(Oc1ccc2ccccc2c1)n1cccn1	299826570	HCECGLNJGNJLPG-UHFFFAOYSA-N	238.246	3.083	0	1	BGAF	
CC[C@H](O)c1nc2cccc(C(F)(F)F)c2[nH]1	586901671	WPWOWUNCZNEKII-QMMMGPOBSA-N	244.216	3.025	0	1	BGAF	
Cc1ncn(-c2c(C)[nH]c3cccc(F)c23)c1C	587635449	IBSPMCCEKTZHKA-UHFFFAOYSA-N	243.285	3.418	0	1	BGAF	
CC1(C)CCCC2=CC[C@](C)(O)[C@@H](O)C[C@]21C	2356566224	CNBXXCQPWFOWPO-CFVMTHIKSA-N	238.371	3.035	0	1	BGAF	
C=CC1=C(C)[C@@H]2C(=O)[C@H](C(C)C)C[C@@H]2[C@@H](C)O1	14439954	IUUUJUZBSOKEIH-CZXHOFHRSA-N	234.339	3.343	0	1	BGAF	biogenic
CO[C@H](C)c1cc2c3c(cccc3n1)CC2	587212036	OBWZEYAAJIFEFS-SECBINFHSA-N	213.280	3.041	0	1	BGAF	
CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587527891	XPJDZPNOCRUMLT-NSHDSACASA-N	230.307	3.309	0	1	BGAF	
Clc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cn1	587967520	PHIMVKSGOQWION-DJLDLDEBSA-N	245.713	3.291	0	1	BGAF	
CC=CC=CC=CC=CC(=O)N1C=CCCC1	2356632319	JLBTYPJRECBOEI-UHFFFAOYSA-N	229.323	3.367	0	1	BGAF	
CC(=O)CC[C@H]1C(=O)C(=C(C)C)CC[C@@H]1C	14615479	AITZTJGBRHUSDK-GXFFZTMASA-N	222.328	3.307	0	1	BGAF	biogenic
COC(=O)CCCC/C=C\CCCCCCO	145465965	MRITWMKUVGBKRX-RQOWECAXSA-N	242.359	3.219	0	1	BGAF	
C/C(=C/CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C)CO	238752719	PDEQKAVEYSOLJX-SCDJRVRESA-N	220.356	3.387	0	1	BGAF	
C[C@@H]1CCc2[nH]c3cc(Cl)ccc3c(=N)c2C1	1772601524	XXICGPBLLVAPOI-MRVPVSSYSA-N	246.741	3.426	0	1	BGAF	
NO[C@@H](CCc1ccccc1)c1ccccc1F	1857556290	BGMXSJROGALBRL-HNNXBMFYSA-N	245.297	3.390	0	1	BGAF	
CCC=C(C)C=Cc1oc(=O)cc(OC)c1C	2356498035	HKAIFSLAZQJCJF-UHFFFAOYSA-N	234.295	3.326	0	1	BGAF	
Cc1cccc2c1[C@H]1Cc3ccccc3[C@]2(C)N1	28756911	KZWLYMGILKJVKV-WBVHZDCISA-N	235.330	3.459	0	1	BGAF	
CC[C@H](C)CN(C(=O)C(C)C)c1nc(C)co1	39246410	LAXDZLSWPAFVGM-JTQLQIEISA-N	238.331	3.018	0	1	BGAF	
CC(C)[C@H]1CC[C@]2(C)C[C@@H](O)[C@]3(C)CC[C@]12O3	238739885	VLIUMVVQGMLOJG-ZSAUSMIDSA-N	238.371	3.131	0	1	BGAF	
CC(C)(C)c1cccc2nc([C@H]3CC[C@@H]3N)[nH]c12	587246972	RDVUPFLIBJKAGX-ONGXEEELSA-N	243.354	3.065	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1CCC1)O2	587406150	PVKIERSBRGNBAG-HNNXBMFYSA-N	245.322	3.101	0	1	BGAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@@H]3CO	2356670344	LGCJLUHHIWNSGQ-BIGJJFBESA-N	222.372	3.467	0	1	BGAF	
CCCN1CC[C@H]2c3ccccc3CC[C@H]21	13826507	ANSBSVSYIULXCZ-LSDHHAIUSA-N	215.340	3.201	0	1	BGAF	
CC(C)=CCC[C@@H]1CC[C@@](C)(O)[C@@H](C)[C@@]1(C)O	137804640	FNTWVIBKYQRXAE-KBUPBQIOSA-N	240.387	3.281	0	1	BGAF	
COc1cccc2c1CC[C@H](N1CCCCC1)C2	169325788	YZCPQIHRNLZAOD-AWEZNQCLSA-N	245.366	3.038	0	1	BGAF	
Cc1[nH]c2cccc(F)c2c1CN(C)C(C)C	587635734	QOQIYRIHTJUIRV-UHFFFAOYSA-N	234.318	3.456	0	1	BGAF	
COc1cccc2nc(C=C3CCC3)[nH]c12	587964665	FTZPYFSFZBJIMO-UHFFFAOYSA-N	214.268	3.139	0	1	BGAF	
Oc1cc(O)nc(/C=C/c2ccccc2Cl)c1	1857764001	BJXQYEIEOPEXHS-AATRIKPKSA-N	247.681	3.317	0	1	BGAF	
CN[C@@H]1Cc2c[nH]c3cccc(c23)[C@H]1C=C(C)C	5159124	NGJMPUDCQIYVMS-UKRRQHHQSA-N	240.350	3.362	0	1	BGAF	biogenic
C[C@H](CCCCCCCC(=O)O)CCC(=O)O	38789156	KKWNWFFSNXXEFH-LLVKDONJSA-N	244.331	3.303	0	1	BGAF	
CC(=S)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	201045392	SOCGROLMYUCUSI-LDMBFOFVSA-N	210.342	3.175	0	1	BGAF	
C[C@@H]1C(=O)CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12	238732904	CUDHRTAOLMZZFB-OXIQGZBJSA-N	238.371	3.179	0	1	BGAF	
O=C1CCC[C@H](c2nc3cccc(F)c3[nH]2)CC1	586884209	LNTCDBABPBTNCC-VIFPVBQESA-N	246.285	3.319	0	1	BGAF	
Oc1ccc2c(c1)CC[C@@H](Cc1ccncc1)C2	13736360	HOYYGGIWRKOTDQ-ZDUSSCGKSA-N	239.318	3.135	0	1	BGAF	
C1=C(c2ccccc2)N2CCN=C2c2ccccc21	13740203	BQZMIACXPZZPMB-UHFFFAOYSA-N	246.313	3.261	0	1	BGAF	
O=c1[nH]c2c(c3ccccc13)CCc1ccccc1-2	17193012	AMAXBIKMKZRFCE-UHFFFAOYSA-N	247.297	3.294	0	1	BGAF	
C[C@]12N[C@H](Cc3ccccc31)C1=C2CC=CC1	26000015	USJBTAAJQVQXDD-CVEARBPZSA-N	223.319	3.076	0	1	BGAF	
CC1=COC=C[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12	85886750	DMFSWNMSKDPBCG-UMVBOHGHSA-N	246.306	3.092	0	1	BGAF	
CC(=O)[C@@H]1CC[C@H](O)[C@@]2(C)CC[C@H](C(C)C)[C@@H]12	86034464	ISENCPWAURCXQF-CAEXGNQWSA-N	238.371	3.035	0	1	BGAF	
Cc1ccc(-c2nc3cc[nH]cc-3n2)cc1C	100968508	YNAJEDSLQVQDMZ-UHFFFAOYSA-N	223.279	3.193	0	1	BGAF	
Cc1cccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c12	587961153	DIYITALHGIXTJQ-QWRGUYRKSA-N	242.322	3.029	0	1	BGAF	
C[C@@H]1OC(=O)C2=C1CC(C)(C)C[C@H]1C[C@]21C	14615502	JYVVXGYNFYHSER-FZNYLWTLSA-N	220.312	3.075	0	1	BGAF	biogenic
CC1N(c2ccccc2)CCN1c1ccccc1	29132746	YCAMYKHQXSLMSO-UHFFFAOYSA-N	238.334	3.359	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1c1c2cccc1C(F)(F)F	29323052	HHIJEPNAHYLKPE-VAOFZXAKSA-N	227.229	3.007	0	1	BGAF	in-vivo
C[C@H]1CN(C)[C@H]2CCC[C@@]1(c1cccc(O)c1)C2	253634157	PQXPFPOEHHHJSJ-DUVNUKRYSA-N	245.366	3.154	0	1	BGAF	
Cc1cc2nc(-c3csc(O)n3)[nH]c2cc1C	587018287	VFMCPZRSUCAJPE-UHFFFAOYSA-N	245.307	3.009	0	1	BGAF	
CC1=C[C@@H](O)C[C@H](C)C=C[C@H](C(C)(C)O)CC1	1857615835	OILIIWQLXDSNNC-XBFCOCLRSA-N	238.371	3.057	0	1	BGAF	
CN[C@@]12c3ccccc3C[C@H]1CCC[C@H]2C	3782938	SEQVASNPEDFLRB-UXIGCNINSA-N	215.340	3.094	0	1	BGAF	
CC1(C)C[C@H](O)C[C@](C)(CNc2ccccn2)C1	84632707	BRIHRVYZYCHTFX-WFASDCNBSA-N	248.370	3.071	0	1	BGAF	
Fc1ccc(-c2csc([C@@H]3CCOC3)n2)cc1	587923194	UHEYVORECBKZGB-SNVBAGLBSA-N	249.310	3.453	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@@H](CCC[C@@H]1C(=O)O)C2	2356665126	VCWWNXMTMQUZKV-JVLSTEMRSA-N	248.322	3.194	0	1	BGAF	
CC(C)[C@@H]1CC[C@@H](C)c2cc(=O)c(O)ccc21	14693159	UBBJWWNVYFBQMJ-MNOVXSKESA-N	232.323	3.389	0	1	BGAF	
CC(=O)CC[C@@H]1C(=O)CC(C)(C)C[C@H]2C[C@@]21C	14693429	MZOIDMRKJDJIEP-ZOWXZIJZSA-N	236.355	3.387	0	1	BGAF	biogenic
CC1=C[C@@H]2C[C@@]3(C=CC(=O)O3)C(C)(C)[C@@H]2CC1	14713708	PWTRDPWPWGTWHR-JMSVASOKSA-N	232.323	3.241	0	1	BGAF	biogenic
CCCN(CCC)[C@@H]1Cc2ccc(C)c(O)c2C1	26168941	BOVBMVWQNTYQCH-CQSZACIVSA-N	247.382	3.290	0	1	BGAF	
CCN(CC)C(=O)Oc1ccc2[nH]ccc2c1	38524887	VQGCHBPXHCXNIR-UHFFFAOYSA-N	232.283	3.009	0	1	BGAF	
N[C@H]1[C@@H]2CC[C@@H]1c1c2cccc1C(F)(F)F	100698504	HHIJEPNAHYLKPE-XLDPMVHQSA-N	227.229	3.007	0	1	BGAF	
C=C(c1cccn1C)N(C)Cc1ccccc1	100936979	LNVHBAJXAOYKTR-UHFFFAOYSA-N	226.323	3.128	0	1	BGAF	
CC1=C(N)N(Cc2cccc(Cl)c2)[CH]C=C1	2356870915	UIMIZBHPWJHTBL-UHFFFAOYSA-N	233.722	3.064	0	1	BGAF	
CC(C)=C[C@H](O)C/C(C)=C/CC/C(C)=C/CO	15213738	RAFAKSIGGWRDFJ-JLHZRUACSA-N	238.371	3.369	0	1	BGAF	endogenous,in-man
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CN	64220765	JSVCWJJGZXDXLC-BASVNZDBSA-N	249.357	3.488	0	1	BGAF	
CC[C@@H](C)c1[nH]c2ccccc2c1CCNC	72124452	VWKYWYIZNQDOMN-LLVKDONJSA-N	230.355	3.443	0	1	BGAF	
CC=C(C)C(=O)OC[C@H](C)c1ccc(C)cc1O	2356588974	NTUZUIFNUGZVQN-LBPRGKRZSA-N	248.322	3.314	0	1	BGAF	
O=C1CCC[C@@H]1[C@H](O)c1ccc2ccccc2c1	8689782	DAGNKZSTMNRBRU-GOEBONIOSA-N	240.302	3.242	0	1	BGAF	
CCCCC[C@@H](C)COC(=O)c1ccncc1	14684153	SJGJCJLSSXJWOR-GFCCVEGCSA-N	235.327	3.455	0	1	BGAF	biogenic
CC1=C[C@@H]2O[C@]3(CO)CCC[C@@]3(C)[C@]2(C)CC1	257453297	JFZZTCKYMWJCGK-XGUBFFRZSA-N	236.355	3.053	0	1	BGAF	endogenous,in-man
C=Cc1ccc(-c2nc3ncccc3[nH]2)cc1	586882131	USIHYZHPBSTOBL-UHFFFAOYSA-N	221.263	3.268	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(C)nc2[nH]1	586890203	NSZRGDZYQGVDPR-ZANVPECISA-N	215.300	3.170	0	1	BGAF	
C[C@@H]1[C@@H](O)CC[C@@]23C[C@H]4[C@@H](C[C@]12C)[C@@]4(C)C3	2356475796	QACHZVKROYIYIY-ZWGONVHWSA-N	220.356	3.220	0	1	BGAF	
Oc1ccc2c(c1)[C@H]1[C@@H](c3ccncc3)[C@H]1CC2	13741604	TVJLBISYUFEUTM-KBMXLJTQSA-N	237.302	3.231	0	1	BGAF	
O[C@H](c1ccc(OCc2ccco2)cc1)C1CC1	28528880	BDTNMXORQGDGAL-HNNXBMFYSA-N	244.290	3.302	0	1	BGAF	
OCc1ccc(-c2cc3ccccc3[nH]2)cc1	40394539	VIPIQNLCTKXEMI-UHFFFAOYSA-N	223.275	3.327	0	1	BGAF	
COc1sc(-c2ccccc2)nc1Cl	84672251	NHPCKAAYCVAPIJ-UHFFFAOYSA-N	225.700	3.472	0	1	BGAF	
CC1=C[C@@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@@H]32	85835829	DGKFETRFKMWAAU-YDHLFZDLSA-N	232.323	3.385	0	1	BGAF	
O=C(Nc1cncc(-c2cccs2)c1)C1CC1	1857772072	ZHBPHJRAGQTWOA-UHFFFAOYSA-N	244.319	3.159	0	1	BGAF	
C[C@@H]1CCCN1CCc1ccc2ncccc2c1	49793000	HUQYUKHHFHNJRR-CYBMUJFWSA-N	240.350	3.262	0	1	BGAF	in-vivo
N[C@H]1[C@H]2CC[C@H]1c1cccc(C(F)(F)F)c1C2	100698483	GVBOIVFALSGRQZ-DXBFQKDVSA-N	241.256	3.082	0	1	BGAF	
CC1(C)CCC(Cc2nc3cnncc3[nH]2)CC1	587960912	NSDLGAGDCNNTSI-UHFFFAOYSA-N	244.342	3.112	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@]3(C)O)C2(C)C	2356542964	HEONDCYMGTYQCB-LREAXHOUSA-N	222.372	3.466	0	1	BGAF	
CC[C@H](C)C(=O)c1[nH]c2ccccc2c1C(=O)O	969138	OGGSQMJKFCSFDF-QMMMGPOBSA-N	245.278	3.095	0	1	BGAF	
COc1ccc2c(c1)c1ccnc(C)c1n2C	3617544	AJSYZGYPCGTQSU-UHFFFAOYSA-N	226.279	3.044	0	1	BGAF	in-vivo
CC(C)C(=O)[C@@H]1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]12	14496003	AUABALVLEYWUSM-CYUUQNCZSA-N	238.371	3.179	0	1	BGAF	biogenic
CC1=C2c3occ(C)c3C(=O)C[C@H](C)[C@@H]2CC1=O	15262422	CLAPLFAABVVYOH-XVKPBYJWSA-N	244.290	3.173	0	1	BGAF	biogenic
O=C(O)Cc1cccc2c1Oc1ccccc1C2	27555804	YBOCQXYTTKOPOI-UHFFFAOYSA-N	240.258	3.010	0	1	BGAF	
CNCCC1c2ccccc2Cc2ccccc21	45350063	PVWQFOKNAQZORV-UHFFFAOYSA-N	237.346	3.332	0	1	BGAF	in-vivo
COc1cc2nc(C3(F)CCCCC3)[nH]c2cn1	587133095	WWUAHOJUTDXOFZ-UHFFFAOYSA-N	249.289	3.095	0	1	BGAF	
Cc1c(-c2cnccn2)nc2cccc3c2c1CC3	587213583	XSGVDSOUGJQOHG-UHFFFAOYSA-N	247.301	3.099	0	1	BGAF	
CC(C)=C/C=C1/C(=O)N(C)c2ccccc21	1772630844	WJYVWRXGGWOEMJ-FMIVXFBMSA-N	213.280	3.013	0	1	BGAF	
Cc1ccc(O)c(C)c1[C@H]1OC(=O)C[C@H]1C(C)C	2356386929	AFNNYRDPAGKWOO-NHYWBVRUSA-N	248.322	3.269	0	1	BGAF	
C(=C/c1nc2ncccc2[nH]1)\c1ccccc1	5127514	CLHJITFYZZNXQS-CMDGGOBGSA-N	221.263	3.128	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)C[C@@H](O)[C@@]3(C)CC[C@@]12O3	5731857	VLIUMVVQGMLOJG-NJVJYBDUSA-N	238.371	3.131	0	1	BGAF	endogenous,in-man
COc1cccc([C@@]23CCC[C@@H](C2)N(C)[C@@H]3C)c1	5736079	ABGHQNTZMBFYIR-INWMFGNUSA-N	245.366	3.210	0	1	BGAF	
C[C@@H]1C[C@H](C=O)C(C=O)=CC2=C1CC(C)(C)C2	14486919	WGSUXNDLENVQGH-ZYHUDNBSSA-N	232.323	3.083	0	1	BGAF	biogenic
O=C1NCc2ccc(-c3ccc(Cl)cc3)cc21	63540010	MGHVIFHVMLXSSM-UHFFFAOYSA-N	243.693	3.250	0	1	BGAF	
CC(C)C[C@@H]1N[C@@H](C)S[C@@H](C)S1	95620590	TWYULKMKVIUSSQ-IWSPIJDZSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
COc1c(-c2ccccn2)[nH]c2cccc(F)c12	587636714	FIBBLJJVQPDNIE-UHFFFAOYSA-N	242.253	3.378	0	1	BGAF	
CCCC[C@@H]1C(=O)CCC[C@]12CCCCN2C	28000095	OMWQXDXVKZYVPF-UKRRQHHQSA-N	237.387	3.400	0	1	BGAF	
C[C@H](N)Cn1ccc2ccc3ccccc3c21	29330710	CHMOSHFVZGKONH-NSHDSACASA-N	224.307	3.142	0	1	BGAF	
C[C@]12CC[C@@H](c3ccc(O)cc3)C[C@@H]1CC[C@@H]2O	40391483	CEOUGJNTPKXUFS-VRKREXBASA-N	246.350	3.437	0	1	BGAF	
C[C@@H]1Nc2ccccc2N=C2C[C@@H](C)OC(O)=C21	101707768	OUEXIBYVSHYPPC-BDAKNGLRSA-N	244.294	3.152	0	1	BGAF	
CC(=O)CCC/C(C)=C/CC/C(C)=C/CO	136900238	VZDNKMDQWSQDRS-WAAHFECUSA-N	224.344	3.411	0	1	BGAF	
Cc1cc2nc3cn(C)ccc-3c2c(C)c1O	377812592	KTULVYAQCPFJND-UHFFFAOYSA-N	226.279	3.001	0	1	BGAF	
COc1ccc(-c2cnc(S)s2)cc1	1772584565	UQLOQXBMYCWODC-UHFFFAOYSA-N	223.322	3.107	0	1	BGAF	
C[C@@H]1CC[C@]2(NC=O)[C@H](C)CC[C@@H]3[C@H]([C@@H]12)C3(C)C	2356572319	XKLUOZVZDDWYQN-XFBSOKCSSA-N	249.398	3.219	0	1	BGAF	
O/N=c1/cc(-c2ccccc2)oc2ccccc12	4802117	BCVRSZHAXBCUKF-SSZFMOIBSA-N	237.258	3.390	0	1	BGAF	
O=C1CC[C@H]2CCc3cccc4oc1c2c34	6513594	RYMIWDUWKDQNBA-SECBINFHSA-N	212.248	3.439	0	1	BGAF	
CCCCCN(C)[C@@H]1CCc2c(O)cccc2C1	169329539	DYENUBLCHLNQIT-CQSZACIVSA-N	247.382	3.372	0	1	BGAF	
CC(=CCC[C@@H](C)[C@@]1(O)CC=C(C)CC1)CO	2356688740	KNGVJRHBQKQKMD-HUUCEWRRSA-N	238.371	3.203	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)C=COC=C[C@@H]2C1	2356754940	WARXHLUDWXLGBE-YRGRVCCFSA-N	222.328	3.238	0	1	BGAF	
C[C@@H]1CC[C@H]2c3ccc(O)cc3CC[C@@H]2C1=O	238784778	MAADCTVGGLZKQS-IIMNLJJBSA-N	230.307	3.037	0	1	BGAF	
c1cc2c3c(cc(-c4cc[nH]c4)nc3c1)CC2	587211609	HWFXFSNRHNQOQE-UHFFFAOYSA-N	220.275	3.329	0	1	BGAF	
CCC(=O)Cc1nc2cccc3c2c(c1C)CC3	587214337	RZUMUHGCCVXTDN-UHFFFAOYSA-N	239.318	3.163	0	1	BGAF	
O=C1CCC[C@@H](c2ccc(O)cc2)CC1	1857771824	YTUGLQIEYCLNSZ-SNVBAGLBSA-N	204.269	3.009	0	1	BGAF	
CC1(C)CCC[C@@]2(C)[C@H]1C=C[C@@H]1C(=O)OC[C@H]12	2356713530	LWPYNNASMDSKKZ-OZTPJHRESA-N	234.339	3.178	0	1	BGAF	
CC1(C)CCC[C@@]2(C)C3=C(C=C[C@@H]12)C(=O)OC3	15148148	IQJQVMRLNOWNDT-WFASDCNBSA-N	232.323	3.242	0	1	BGAF	biogenic
c1ccc(C[C@H]2COc3ccccc3C2)cc1	42989226	FAZPXZSNQNWJAW-CQSZACIVSA-N	224.303	3.480	0	1	BGAF	biogenic,in-vitro
Clc1nccc2nc(C3=CCCC3)[nH]c12	586886059	ZETZOJJTLSFXAB-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@@](C)(CC)CC2=O	587479645	FGVOICXSMFCFRO-HNNXBMFYSA-N	248.322	3.479	0	1	BGAF	
CC(C)=CCN1c2ccccc2NC(=O)C[C@@H]1C	5551494	BSRFXWAFIXYGFZ-LBPRGKRZSA-N	244.338	3.190	0	1	BGAF	
C[C@]1(CC[C@@H]2C=CCC2)CCCNC1=S	6442121	WPQSANCPQIMIMF-DGCLKSJQSA-N	223.385	3.450	0	1	BGAF	
CN(C)C1=Nc2ccccc2Nc2cscc21	169338709	HKANDWLAKNETHZ-UHFFFAOYSA-N	243.335	3.445	0	1	BGAF	
C[C@@H]1C(=O)S[C@](C)(CC2CCCCC2)C1=O	169719251	VYICFALLNFALHB-TVQRCGJNSA-N	240.368	3.194	0	1	BGAF	
CC1=C2C(=O)O[C@@H](c3ccco3)[C@]2(C)CCC1	238745593	WPNOWVWMZUYEQO-GXTWGEPZSA-N	232.279	3.384	0	1	BGAF	
CC(C)[C@H]1CC(=O)c2coc3c2[C@@H]1C[C@H](C)[C@@H]3O	238767708	VIULXZNWHKRQPB-KSQLKPTDSA-N	248.322	3.295	0	1	BGAF	
CC1=C[C@@H]2OC(=O)C(C)=C3CC[C@@](C)(CC1)[C@@H]32	257404577	DGKFETRFKMWAAU-KCQAQPDRSA-N	232.323	3.385	0	1	BGAF	
CCCC/C=C\c1nc2ccc(C(=N)N)cc2[nH]1	587965067	GOZAUTYDUHWCSW-WAYWQWQTSA-N	242.326	3.050	0	1	BGAF	
C[C@@H]1CCCC2=CC(=O)[C@@H](C(C)(C)O)C[C@]21C	14450828	LMUKBFXUVUGBAF-GMXABZIVSA-N	236.355	3.099	0	1	BGAF	biogenic
COC(=O)c1ccc2[nH]c3cc(C)ccc3c2c1	53313463	PLQBJZTZLSCEFQ-UHFFFAOYSA-N	239.274	3.416	0	1	BGAF	
CN1C[C@@H]2C=C(c3cnccc3Cl)C[C@@H](C2)C1	169294837	BHIGQRNBSBBYCZ-WDEREUQCSA-N	248.757	3.090	0	1	BGAF	
Oc1ccc(C2=CCc3ccc(O)cc3O2)cc1	238760234	UDEFATNIKSFVBB-UHFFFAOYSA-N	240.258	3.074	0	1	BGAF	
Cc1nn(C)c2ccnc(NC3CCCCC3)c12	1857552710	MEEQWNOMNHZOBZ-UHFFFAOYSA-N	244.342	3.021	0	1	BGAF	
CCCCc1ccc([C@@H]2CCCN2C)cn1	13819449	UVPSJZOMAYWEBU-AWEZNQCLSA-N	218.344	3.191	0	1	BGAF	
Cc1ccc(C)c2c1CC[C@H](C(C)(C)O)C2	14616078	AFBBWQXTLZVDEE-LBPRGKRZSA-N	218.340	3.179	0	1	BGAF	biogenic
Clc1ccc(C2=C[C@@H]3CC[C@@H](C2)N3)cc1	100358558	QBSBBGLHCMPGNO-STQMWFEESA-N	219.715	3.248	0	1	BGAF	in-vivo
Clc1cc2c3ccccc3nc-2c[nH]1	100660588	LDBHRENGPXWKOD-UHFFFAOYSA-N	202.644	3.321	0	1	BGAF	in-vivo
CN(C)c1ccc(-c2ncc3ccccc3n2)cc1	1240910081	BRGOKHPOESNHQY-UHFFFAOYSA-N	249.317	3.363	0	1	BGAF	
CCCCCc1ccc(-c2c[nH]c(N)n2)cc1	45385199	BLOWSSWDKWAODF-UHFFFAOYSA-N	229.327	3.392	0	1	BGAF	
COc1cc(Cl)c(Cl)cc1[C@@H]1C[C@H]1CN	653707722	IZWSHCTXJOWBOY-NKWVEPMBSA-N	246.137	3.064	0	1	BGAF	
CC1=C(CC2=NC[C@@H](C)N2)CCc2ccccc21	100688731	YPXLBVJTQGGGAM-LLVKDONJSA-N	240.350	3.187	0	1	BGAF	
N[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(c1ccccc1)C3	102270335	IELSRSCLRGXCFP-ZABIJJSZSA-N	227.351	3.092	0	1	BGAF	
C[C@@H]1CNCCc2c(Cl)cc(Cl)cc21	6733454	LVDZEHWRCDOGFA-SSDOTTSWSA-N	230.138	3.243	0	1	BGAF	
N[C@@H]1Cc2ccccc2[C@@H](c2ccccc2)C1	13557341	ZPTITOXHTKKBPT-GDBMZVCRSA-N	223.319	3.092	0	1	BGAF	
CC1=CC[C@H]([C@H](C)CCN2CCOCC2)CC1	34586838	AUHZNHJBKOZUMT-CABCVRRESA-N	237.387	3.091	0	1	BGAF	
C1C[C@@H]2CC[C@@H]3CCC[C@@]24[C@@H]3CCCN4C1	64624082	WEUSZYFSAZZUMH-YJNKXOJESA-N	219.372	3.441	0	1	BGAF	in-vitro
Cc1c(O)cc(O)c2c1[C@H](C)[C@@H](C)OC2(C)C	205377499	JDZPDZRHOWTMQQ-VXNVDRBHSA-N	236.311	3.164	0	1	BGAF	
CC(C)CNC(=O)/C=C\C=C/Cc1cccs1	205429717	KNGBXFMEGLRFHV-YSXYLNKBSA-N	249.379	3.175	0	1	BGAF	
C[C@H]1CC[C@]2(O)[C@@H](C)CC[C@@H]3[C@H]([C@H]12)C3(C)C	238765304	QWRTXOOFEHOROQ-IBHARUPASA-N	222.372	3.466	0	1	BGAF	
CCC(C)(C)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587406181	QPBSXECLPRBUIA-CYBMUJFWSA-N	247.338	3.347	0	1	BGAF	
C[C@H]1CCC=C(C(=O)O)[C@@]12CC[C@@H](C)C2	2356579255	WDDHMVJSZRYGPI-GBIKHYSHSA-N	208.301	3.234	0	1	BGAF	
CN[C@@]12CC=CC[C@@H]1CCc1ccc(OC)cc12	26156143	NYRRKAKFWGZUEO-CJNGLKHVSA-N	243.350	3.022	0	1	BGAF	
CCCN1CCCC[C@H](c2cccc(O)c2)C1	29247280	JSJAVEGAZSFDJW-AWEZNQCLSA-N	233.355	3.372	0	1	BGAF	
c1ccc(-c2cccc(-c3ccco3)n2)nc1	40380624	JDXSFYNYFJQWEM-UHFFFAOYSA-N	222.247	3.404	0	1	BGAF	
CC1=C2C/C=C(\C)CC/C=C(\C)C[C@@]2(O)OC1=O	70454911	RNKGNLZCXUOTKL-UPLIDKFQSA-N	248.322	3.015	0	1	BGAF	biogenic,in-vitro
O=C(/C=C/c1ccccc1)N[C@H]1C[C@@H]2CC[C@@H]1C2	100433410	PHECXNWAUDAWII-SQLLUCMQSA-N	241.334	3.005	0	1	BGAF	
O=Cc1ccc([C@@H](CN2CC2)C2CCCC2)cc1	2356351947	IUGIJIIGPACYBP-INIZCTEOSA-N	243.350	3.089	0	1	BGAF	
CC=CC=CCCc1c(O)ccc(O)c1COC	2356407264	VIRRSSOWRCQPPA-UHFFFAOYSA-N	248.322	3.309	0	1	BGAF	
c1ccc2c(c1)CCc1ccccc1C21CCNC1	26380466	VETLKXRHXYJTGH-UHFFFAOYSA-N	249.357	3.065	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3C(CO)=CC[C@@H]2[C@@H]13	101562372	JIXPRNKLOIEGFI-VYDRJRHOSA-N	220.356	3.243	0	1	BGAF	
CCCCc1cc(C)c2c(c1O)C(=O)O[C@H](C)C2	1857587938	APVFFRHQQDBGEI-SNVBAGLBSA-N	248.322	3.145	0	1	BGAF	
CCN(CC)C(=O)Oc1ccc2cc[nH]c2c1	1857648194	VFHKIYNICMZDSO-UHFFFAOYSA-N	232.283	3.009	0	1	BGAF	
CC(C)CC1=C(C(=O)c2ccoc2)C(=O)[C@@H](C)C1	12153737	YUPNXZJXDREVDT-JTQLQIEISA-N	246.306	3.414	0	1	BGAF	biogenic
C[C@]12N[C@@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12	169289901	COGPALBKCNFTGA-OEAJRASXSA-N	227.351	3.236	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@@H](C(C)C)CC2=O	587489503	OZXURKPQMAWKJV-CQSZACIVSA-N	248.322	3.335	0	1	BGAF	
Cc1c(-c2cnn(C)c2C)[nH]c2cc(F)ccc12	587636168	TVBNXRIVLDRENS-UHFFFAOYSA-N	243.285	3.324	0	1	BGAF	
CC=C(C)C(=O)OCC=Cc1ccccc1	2356506795	KRNURAJANZKGQN-UHFFFAOYSA-N	216.280	3.209	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C2(C)C)[C@]12[C@@H](C)CC[C@@H]2O	2356620087	FFQOLUDKOBQBCT-ARUSPNSKSA-N	220.356	3.386	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CC[C@]2(O)CCC[C@H](C)[C@]12C	14923127	VMHVLIDJNCCRLE-DDHJSBNISA-N	236.355	3.099	0	1	BGAF	biogenic
CCSC[C@](C)(O)c1cc2ccccc2[nH]1	28820657	JLYOXYXTWYJJBX-ZDUSSCGKSA-N	235.352	3.129	0	1	BGAF	
C=C(C(=O)O)[C@@H](CCCCCCCC)C(=O)O	138255918	KXSQPJOPEPZWIA-LLVKDONJSA-N	242.315	3.079	0	1	BGAF	
CC(C)[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)C[C@@H](C)[C@H]1C2	257399407	CSLBUZGPLRECOR-GBIGGCNCSA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
CC[C@]1(C)C[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1	586886705	CTSUALZCLJIANG-YMTOWFKASA-N	244.294	3.165	0	1	BGAF	
Clc1nccc2nc(C=C3CCC3)[nH]c12	587964978	LEOMVFXDWHOVKH-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
C[C@@H]1CC[C@]2(NC=O)[C@H](C)CC[C@@H]3[C@@H]([C@@H]12)C3(C)C	2356572316	XKLUOZVZDDWYQN-DIBLEFCOSA-N	249.398	3.219	0	1	BGAF	
N[C@H]1[C@H]2CC[C@@H]1Cc1ccc(C(F)(F)F)cc12	26281298	RBCLHKCRXOPGGK-UBHAPETDSA-N	241.256	3.082	0	1	BGAF	
Cc1cc(=O)oc2c1cc(C)c1occc12	28091497	PHABYDNILJBPFQ-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
CN(C)C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1	100822679	KHJQHGAUNZLOFM-VGWMRTNUSA-N	229.367	3.378	0	1	BGAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@@H]1O	169296215	KSMZUKWIDPCGBS-FUQNVFFISA-N	238.371	3.131	0	1	BGAF	
CCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2	253635348	DWODCBQTCVFXPQ-HZMBPMFUSA-N	226.323	3.249	0	1	BGAF	
Cc1nc(-c2cc3c4c(cccc4n2)CC3)cn1C	587211102	LUOMHVYWGRUEBE-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)C[C@H](C1CC1)C4)CC2	587215372	MGGISEJCVOATFD-GFCCVEGCSA-N	235.330	3.458	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@H](O)C[C@@]2(C)C1	2356532257	VGSLLDHUYDRUSE-AYRXBEOTSA-N	240.387	3.115	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1c1ccc(C(F)(F)F)cc12	6093992	QFRCSJBYSNCGPY-YWVKMMECSA-N	227.229	3.007	0	1	BGAF	
C[C@@H]1CC(=O)[C@H]2C[C@@]3(C)[C@@H]4CC[C@@]1(C4)[C@@]23C	14711163	BUQAGRKDLWAMSQ-OUMODKTKSA-N	218.340	3.428	0	1	BGAF	
Cc1coc2c1[C@@H]1OC(=O)[C@@H]3CCC[C@@H](C2)[C@@]31C	15220967	KTALFCIOJDCGJF-MJVIGCOGSA-N	246.306	3.165	0	1	BGAF	biogenic
c1c[nH]c(CNc2ccc3ccccc3n2)c1	28566740	PODSKRBRVVDCTK-UHFFFAOYSA-N	223.279	3.175	0	1	BGAF	
c1ccc2c(c1)C[C@@H]1N[C@H](C2)c2ccccc21	28757067	BFJSCUGEISXMBA-IYBDPMFKSA-N	221.303	3.171	0	1	BGAF	
O=C(O)c1cc2cc(-c3cccnc3)ccc2o1	29245745	VVNDUQUSRWAKSO-UHFFFAOYSA-N	239.230	3.193	0	1	BGAF	
FC[C@@H](F)[C@H](F)Cc1c[nH]c2ccccc12	473148707	HEZVKGFLRRSCEA-GHMZBOCLSA-N	227.229	3.356	0	1	BGAF	
CCCCn1cncc1-c1ccc2c(c1)OCO2	1911579440	BYSHQROAEDNLBH-UHFFFAOYSA-N	244.294	3.079	0	1	BGAF	
C[C@H](C(=O)OC1CCCCC1)c1ccncc1	9590	ZUSBLVRUYCSEGN-NSHDSACASA-N	233.311	3.061	0	1	BGAF	
C[C@@]12CC[C@H](O)C[C@H]1CCc1ccccc12	3472483	MVNJNWNFUCRWBW-VNHYZAJKSA-N	216.324	3.052	0	1	BGAF	
Cc1cc2c(C)coc2c2c1CC[C@H]([C@@H](C)O)O2	14829703	RJFPIJMZSUUNHA-ZWNOBZJWSA-N	246.306	3.124	0	1	BGAF	biogenic
c1ccc(CSc2nc3cnsc3[nH]2)cc1	27873232	ADUYJYZLNTVFCE-UHFFFAOYSA-N	247.348	3.312	0	1	BGAF	
C=CC1=C(C)[C@H]2C(=O)[C@@H](C(C)C)C[C@H]2[C@@H](C)O1	34428724	IUUUJUZBSOKEIH-NRWUCQMLSA-N	234.339	3.343	0	1	BGAF	
Cc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1C	586900612	HNUJTLTXJYVIIZ-ZDUSSCGKSA-N	232.327	3.259	0	1	BGAF	
CC(C)[C@H](N)c1nc2cc(Cl)cc(F)c2[nH]1	587258447	COXUANBJQQAFAO-VIFPVBQESA-N	241.697	3.011	0	1	BGAF	
CC(C)Oc1ccc2nc(CC3CC3)[nH]c2c1	587958644	DDAPTVMKXOZNGQ-UHFFFAOYSA-N	230.311	3.303	0	1	BGAF	
C[C@@H]1CC[C@H](NC=O)[C@]2(C)CC[C@@H]3[C@H]([C@@H]12)C3(C)C	2356801396	QOLAWXMBCTVDSR-YKWBPFFISA-N	249.398	3.219	0	1	BGAF	
CCn1c(-c2ccccc2)nc2cnccc21	28398048	NWFAOTMMMFOPSB-UHFFFAOYSA-N	223.279	3.118	0	1	BGAF	
COC(=O)CCCCC=CCCCCCCO	2356501783	MRITWMKUVGBKRX-UHFFFAOYSA-N	242.359	3.219	0	1	BGAF	
CCCc1ccc(C=C2C=CC(=O)O2)s1	2356627122	WKNWIVHSNPKMBS-UHFFFAOYSA-N	220.293	3.155	0	1	BGAF	
c1ccc2c(c1)O[C@@]13CCCC[C@@H]1[C@@H]2NCC3	4550726	KCYFTAPCHLTSLC-BPLDGKMQSA-N	229.323	3.042	0	1	BGAF	
CC(=O)Nc1ccc(/C=C/c2ccccn2)cc1	36381159	IDTIYQIPVNWLJV-VMPITWQZSA-N	238.290	3.210	0	1	BGAF	
Cc1coc2cc(-c3cccc(O)c3)oc(=O)c12	45357812	XVDVRSFOPWFGOJ-UHFFFAOYSA-N	242.230	3.067	0	1	BGAF	
NC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccc(Cl)cc1	253637582	JGDHOGCSEVVPRV-CDGCEXEKSA-N	235.758	3.428	0	1	BGAF	
C[C@H]1CCO[C@H](c2nc3cccc(F)c3[nH]2)C1	586916526	AEKDKFAEYKKGTF-KWQFWETISA-N	234.274	3.190	0	1	BGAF	
Brc1cccc(C2=NCCCC2)c1	653686905	IAPFRWYGZQXILQ-UHFFFAOYSA-N	238.128	3.422	0	1	BGAF	
COc1ccc2c(c1)[C@]1(C)CC[C@H](O)C[C@H]1CC2	2356482023	FMZYZILCSUARND-DVOMOZLQSA-N	246.350	3.060	0	1	BGAF	
N#CCCC(=O)c1cc(Cl)cc(Cl)c1O	13412918	UCLRQWRAZAYCQL-UHFFFAOYSA-N	244.077	3.185	0	1	BGAF	biogenic
C[C@H]1C[C@H](C=O)C(C=O)=CC2=C1CC(C)(C)C2	14486921	WGSUXNDLENVQGH-CMPLNLGQSA-N	232.323	3.083	0	1	BGAF	biogenic
COc1ccc(Cl)c(Cl)c1[C@@H]1C[C@@H]1CN	653709073	WYOQWFHMSQKDSW-RNFRBKRXSA-N	246.137	3.064	0	1	BGAF	
Cc1ccc([C@@H]2CC=NN2C(=O)C(C)(C)C)cc1	1857535164	COPPPPNYFFXBEN-ZDUSSCGKSA-N	244.338	3.300	0	1	BGAF	
CCC[C@@H]1OC(=O)[C@@H]1CCCc1ccccc1	1857542010	HKHZTKGMFLUIEY-KGLIPLIRSA-N	232.323	3.351	0	1	BGAF	
C[C@]12CC[C@H](O)C[C@@H]1CCc1ccccc12	5921050	MVNJNWNFUCRWBW-YDHLFZDLSA-N	216.324	3.052	0	1	BGAF	biogenic
CN(C)[C@H]1C=C(c2ccccc2)CCC1	5965136	VFQMBYBRDMRYEG-CQSZACIVSA-N	201.313	3.184	0	1	BGAF	
C/C=C\CC/C=C\C=C\C(=O)NCC(C)C	13433796	OCUXKVCDBHKIIP-ZIVSJQOCSA-N	221.344	3.227	0	1	BGAF	endogenous,in-man
O=C(O)COc1ccc2c(c1)oc1ccccc12	28095204	OPDXAHQIUIXSRW-UHFFFAOYSA-N	242.230	3.049	0	1	BGAF	
Clc1ccc([C@H]2CCc3nc[nH]c3C2)cc1	40875207	UPEUOWBPLHAKGL-JTQLQIEISA-N	232.714	3.336	0	1	BGAF	
CC1=CC[C@H](C)[C@@]2(C)O[C@]3(C)CC[C@]12C[C@H]3O	140104576	LRHYWZRUDOVGNH-NBRWMIFNSA-N	236.355	3.051	0	1	BGAF	
C/C1=C\C[C@H](O)[C@H](C)/C=C/[C@H](C(C)(C)O)CC1	238769346	RBBWQOZTCXYKSH-HYSNLASNSA-N	238.371	3.057	0	1	BGAF	
C[C@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@]12O	15207629	DUMZYTYPNQNWMU-CTHBEMJXSA-N	240.387	3.115	0	1	BGAF	
N[C@H]1[C@H]2CC[C@H]1c1cc(C(F)(F)F)ccc1C2	100698569	RBCLHKCRXOPGGK-PEXQALLHSA-N	241.256	3.082	0	1	BGAF	
O=C(C[C@@H](O)c1cccs1)c1cccs1	203784112	UFXLCNNVYHKAJM-MRVPVSSYSA-N	238.333	3.116	0	1	BGAF	
Clc1ccccc1-c1cccc2ncnn12	1222431880	VZBFJXVGGZVIIJ-UHFFFAOYSA-N	229.670	3.050	0	1	BGAF	
Nc1cc(-c2c[nH]c3c(Cl)cccc23)ccn1	1772627766	IJCFALFAHZAFAU-UHFFFAOYSA-N	243.697	3.466	0	1	BGAF	
CC1(C)CC=C[C@]2(C)O[C@]3(C)CC[C@]12O3	13457480	QXHORPLJTIHQGR-AVGNSLFASA-N	208.301	3.027	0	1	BGAF	endogenous,in-man
CN1C[C@@H]2c3ccccc3[C@H]1[C@H]1CCC[C@@H]21	27210505	SYUCGKZXQQTLMH-BEAPCOKYSA-N	213.324	3.187	0	1	BGAF	
C=Cc1cc(O)c(-c2ccccc2)cc1O	140538533	CISWAAWEJOKBGS-UHFFFAOYSA-N	212.248	3.408	0	1	BGAF	
O=C1CCC[C@@H](c2nc3ccccc3[nH]2)CC1	586883370	BLSAQVFJYBWDGL-SNVBAGLBSA-N	228.295	3.180	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O	33951450	SDAWXTDBEYZMMX-SPWCGHHHSA-N	238.371	3.057	0	1	BGAF	
O=C1Nc2ccccc2Cn2c1cc1ccccc12	34068125	ILXBVUVUDSAJOS-UHFFFAOYSA-N	248.285	3.255	0	1	BGAF	
CO[C@H]1[N+]([O-])=C(/C=C/c2ccccc2)CC1(C)C	103076568	SMDIYMPYWLCZDA-ATWMFIQVSA-N	245.322	3.054	0	1	BGAF	
Cc1nc(NCc2ccccc2)c(C)c(C)c1O	143777968	VXLUNNPCWNZJDU-UHFFFAOYSA-N	242.322	3.325	0	1	BGAF	
CC1=C[C@@H]2OC(=O)[C@@H](C)[C@H]2CCC=CCC1	2356647694	TWYXTYZPUDIFIW-XQQFMLRXSA-N	220.312	3.241	0	1	BGAF	
CC(=O)Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2	13652144	MOJUJYPUGGWUMY-UHFFFAOYSA-N	247.338	3.284	0	1	BGAF	
Cc1coc2c1C[C@@]1(C)C(=CCC(=O)[C@H]1C)C2	15221393	BICUIOBLBYQYLO-MEBBXXQBSA-N	230.307	3.228	0	1	BGAF	biogenic
CN(C)C[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1	253684183	KHJQHGAUNZLOFM-CAOSSQGBSA-N	229.367	3.378	0	1	BGAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@H]2[C@H]31	257382662	AZCJPMYIWXNBMH-HCDMYHGNSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
CC[C@]1(C)C[C@@H]1c1nc2c(C)ccnc2[nH]1	586888277	IKDLMQPLZIYSFM-NOZJJQNGSA-N	215.300	3.170	0	1	BGAF	
Cc1ncsc1CCc1nc2ccccc2[nH]1	587028034	MYEXFCIGDWYOLM-UHFFFAOYSA-N	243.335	3.113	0	1	BGAF	
CCCCCCNC(=O)n1ncc2ccccc21	1772646033	HOWIORJEZUCUFG-UHFFFAOYSA-N	245.326	3.174	0	1	BGAF	
OC[C@@H]1CCC[C@H](c2ccc(O)cc2)CC1	1857654228	TYZPZHWTUNATHL-NEPJUHHUSA-N	220.312	3.048	0	1	BGAF	
Cc1coc2c(O)c3c(cc12)C(=O)C[C@H](C)C3	2356451745	QCHMTFJGQVOMEB-SSDOTTSWSA-N	230.263	3.212	0	1	BGAF	
c1cc2ccc(Nc3ccc4cc[nH]c4n3)nc2[nH]1	144846757	YIRZMQNIFBTJBM-UHFFFAOYSA-N	249.277	3.183	0	1	BGAF	
C[C@@H]1C(=O)S[C@@](C)(CC2CCCCC2)C1=O	169719249	VYICFALLNFALHB-ZANVPECISA-N	240.368	3.194	0	1	BGAF	
CCC=CCCCCCCC[C@H](O)[C@H](C)N	2356512713	BVWZJMSWYIKRNF-KBPBESRZSA-N	227.392	3.391	0	1	BGAF	
COC(=O)c1ccc(C=Cc2ccccc2)o1	2356653306	AOZSTVUUWCWVDE-UHFFFAOYSA-N	228.247	3.237	0	1	BGAF	
CC[P@@]1(=O)OC(C)(C)CN1C(C)(C)C	1861639	GVVQGNPJJPDIEH-CQSZACIVSA-N	219.265	3.109	0	1	BGAF	
Fc1ccc2ccc(Cn3ccnc3)cc2c1	49112437	SFBANCVOUQRQEX-UHFFFAOYSA-N	226.254	3.224	0	1	BGAF	in-vivo
CNC(=O)c1ccc(Oc2ccc(C)cc2)cc1	72173090	YHLDIJWGGHAGJK-UHFFFAOYSA-N	241.290	3.147	0	1	BGAF	
Fc1ccc([C@H]2CC=CCNC2)cc1Cl	95584521	PTKQUPHPZRJQRH-JTQLQIEISA-N	225.694	3.112	0	1	BGAF	
CNC(=O)/C=C\Sc1ccc(C(C)(C)C)cc1	103244540	CNZGYMFUXAMYKW-KTKRTIGZSA-N	249.379	3.336	0	1	BGAF	
C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@H]1CC[C@H](C)[C@@H]21	2356775145	IICZMVCRWGAHJB-RIBQXPMZSA-N	236.355	3.256	0	1	BGAF	
CO[C@@H](c1cccnc1)C(C)(C)c1cccnc1	29551980	NIZJKWCUCWIETQ-AWEZNQCLSA-N	242.322	3.142	0	1	BGAF	in-vivo
N[C@]1(c2ccccc2)C[C@]1(F)c1ccccc1	40395427	OGVYLPHSSJTUKP-GJZGRUSLSA-N	227.282	3.109	0	1	BGAF	in-vivo
COc1ccc(C=CCOC(=O)CC(C)C)cc1	2356386516	LPEDNRNKVNWFPU-UHFFFAOYSA-N	248.322	3.298	0	1	BGAF	
CN(C)C[C@@H]1CC12C1CC3CC(C1)CC2C3	3637393	BVWDEPIFYCJURX-BPHCLYMKSA-N	219.372	3.010	0	1	BGAF	
CC(=O)CC[C@@]12C(=O)C[C@@H](CC[C@@H]1C)C2(C)C	14694805	JNYTXKVQDFVROJ-NVBFEUDRSA-N	236.355	3.387	0	1	BGAF	biogenic
CCC(=O)OCC1=CCC(C)(C)C[C@@H]1C	14822369	XOZBCNJUNGIXPL-JTQLQIEISA-N	210.317	3.322	0	1	BGAF	biogenic
COc1ccccc1[C@H]1CC[C@H]2CCCCN21	26718262	REUJBZKVFMFXQR-TZMCWYRMSA-N	231.339	3.385	0	1	BGAF	
COC(=O)/C=C\c1ccc2c(c1)C=CC(C)(C)O2	28537861	AOZKTJDXDYSFAE-ALCCZGGFSA-N	244.290	3.057	0	1	BGAF	
CC(C)[C@H]1CC(=O)c2coc3c2[C@@H]1C[C@@H](C)[C@H]3O	33830727	VIULXZNWHKRQPB-NZHONMPCSA-N	248.322	3.295	0	1	BGAF	
CC(C)S[C@H]1C[C@@H]2[C@@H](C[C@@]1(C)O)C2(C)C	195426831	XSMMJHSZJXWLBE-HNCHTBHHSA-N	228.401	3.314	0	1	BGAF	
CC(C)=C[C@@H]1C[C@H](C)[C@@H]2C[C@H](O)C(C)=C[C@H]2O1	2356758888	OEZSPFGKGBIPMN-WCDYYPSBSA-N	236.355	3.073	0	1	BGAF	
C[C@@H]1CC(=O)C=C2CC[C@H](C(C)(C)O)C[C@]21C	14450818	OVISDQKZYWLLLK-GMXABZIVSA-N	236.355	3.099	0	1	BGAF	biogenic
Clc1ccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc1	101387136	NUQHQIXAXZDZPW-PTEHBNRSSA-N	237.730	3.002	0	1	BGAF	
Cc1cccc(C2=NOCc3ccccc32)c1	103184745	VDLFMVQUPZORQG-UHFFFAOYSA-N	223.275	3.278	0	1	BGAF	
CC/C=C(C)/C=C(\C)c1cc(=O)cc(OC)o1	238730901	AGIVNPADRSOUNG-JMQWPVDRSA-N	234.295	3.408	0	1	BGAF	
Cc1ccc(-c2ccc(NC(N)=O)cc2)cc1	28712009	VXTBCYRTEKXSFH-UHFFFAOYSA-N	226.279	3.153	0	1	BGAF	in-vivo
C[C@H]1CC[C@]2(O)[C@@H]3CC[C@H](C[C@@H]13)C2(C)C	100038097	HRRXRUJXRFKNLU-XJGUIPMBSA-N	208.345	3.220	0	1	BGAF	
C/C1=C\C[C@@H](C(C)(C)O)/C=C/[C@](C)(O)CCC1	238788230	AOROBANGFVRWRJ-JAHQSHJXSA-N	238.371	3.201	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@@H](C)C1)O2	587409446	UOIZLKFHDVKLKV-RFAUZJTJSA-N	245.322	3.101	0	1	BGAF	
Cc1ccccc1Nc1ncc2c(n1)CCCC2	1857581682	GXNCJJUXJCUZSD-UHFFFAOYSA-N	239.322	3.407	0	1	BGAF	
CCC[C@@H]1C[C@@H]2CCc3[nH]c(=N)nc(c32)[C@@H]1CC	2356444602	APJOEHJDQUQJLP-OUAUKWLOSA-N	245.370	3.233	0	1	BGAF	
CC(C=C[C@]1(C)C=CCC(C)(C)C1=O)=CC(=O)O	2356721232	YMEFRSQFXGVNCO-HNNXBMFYSA-N	248.322	3.135	0	1	BGAF	
CC(CO)=C1CC[C@]2(C)CCC[C@@](C)(O)[C@H]2C1	2356826485	HXSBDAXZKKSVDR-SOUVJXGZSA-N	238.371	3.037	0	1	BGAF	
Cc1cc([C@@H]2CC[C@H](c3ccccc3)N2C)on1	26403383	HUTZSALGHUJHBI-KGLIPLIRSA-N	242.322	3.491	0	1	BGAF	
Cn1ccc2c(NCc3ccccc3)ccnc21	28706827	FAXCCJJENHQMCR-UHFFFAOYSA-N	237.306	3.185	0	1	BGAF	
S=C1CCc2cc(-c3cccnc3)ccc2N1	40380214	BBIRVEDVKRWBOZ-UHFFFAOYSA-N	240.331	3.434	0	1	BGAF	in-vivo
CN1CC=C(/C=C\c2c[nH]c3ccccc23)CC1	64251966	HTQYQZKGLVDSLB-SREVYHEPSA-N	238.334	3.443	0	1	BGAF	
CC(C)[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)C[C@H](C)[C@H]1C2	104369951	CSLBUZGPLRECOR-HZZBMVKVSA-N	236.355	3.195	0	1	BGAF	in-man
CC[C@@H](N=O)/C(C)=C/c1ccc(C)nc1	169723659	ZVEBXHBALYRBCB-YPUOHESYSA-N	204.273	3.338	0	1	BGAF	
C[C@@H]1c2cc(O)ccc2O[C@H]1c1ccc(O)cc1	13461445	MONNAPDKXVIYTJ-RFAUZJTJSA-N	242.274	3.335	0	1	BGAF	biogenic
CNC(=O)[C@H](C)c1ccc(-c2ccccc2)cc1	13589345	DYGPWPMLADQIMY-GFCCVEGCSA-N	239.318	3.203	0	1	BGAF	
CC(C)(c1cccnc1)[C@@H](O)c1ccccc1	29550438	LCRMYPGRORRMNU-AWEZNQCLSA-N	227.307	3.093	0	1	BGAF	in-vivo
CN1[C@@H]2CC[C@@H]1[C@H](c1ccc(Cl)cc1)C2	100913180	GIBMVDGLFWHJMW-FRRDWIJNSA-N	221.731	3.290	0	1	BGAF	
C[C@@H]1C(=O)C[C@@H](C(C)(C)C)N[C@H]1C(C)(C)C	103220265	SXWHWRLSIYZHJH-ADEWGFFLSA-N	225.376	3.014	0	1	BGAF	
CC[C@H](N=O)/C(C)=C/c1cnccc1C	169723664	JDRRNAOVXUPCMU-PMDBQALLSA-N	204.273	3.338	0	1	BGAF	
CC(C)[C@H]1CC[C@H](C)[C@]23CC[C@@](C)(O)[C@H]2[C@H]13	231214249	KONGRWVLXLWGDV-QAIIKZMUSA-N	222.372	3.466	0	1	BGAF	
CC1=CC[C@H]([C@@](C)(N)C/C=C/C(C)(C)O)CC1	13346883	GFOFMQYXBNROPZ-UZQMHCEWSA-N	237.387	3.167	0	1	BGAF	
Clc1cccc2c1CCN(c1ccncc1)C2	13489837	MSAAQJGBKBAPHK-UHFFFAOYSA-N	244.725	3.298	0	1	BGAF	
CCc1ccc(O)c(C(=O)c2ccc(F)cc2)c1	28760602	OAXJLSNUNSFLKN-UHFFFAOYSA-N	244.265	3.325	0	1	BGAF	
c1ccc(-c2csc(Cc3c[nH]cn3)n2)cc1	29344888	TVRYIDIUBFYXFE-UHFFFAOYSA-N	241.319	3.124	0	1	BGAF	in-vivo
CCC12C[C@H]3CC(N)(C[C@@H](C1)c1ccccc13)O2	45339454	QQSCRIPRFNLCHS-RJAIZQQDSA-N	243.350	3.275	0	1	BGAF	
CC(C)[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3	95560715	XTXGMPJBMMXLQQ-VGVBULKLSA-N	221.388	3.399	0	1	BGAF	
CN1C[C@@H]2CC(c3ccc(Cl)nc3)=C[C@@H](C2)C1	95572852	XOEJXZGEXAMGIL-MNOVXSKESA-N	248.757	3.090	0	1	BGAF	
Nc1cccc(-c2cc3cc(N)ccc3o2)c1	473116578	XAWQEJXUWAHEAD-UHFFFAOYSA-N	224.263	3.264	0	1	BGAF	
Cc1ccc(-c2cc3ccncc3c(O)n2)cc1	474610013	ZCOQDZFGZIHZIM-UHFFFAOYSA-N	236.274	3.311	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC1CC1)O2	587403469	MMZMHGVENXXEDE-OAHLLOKOSA-N	245.322	3.101	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CCC2=CC(=O)C[C@H](C)[C@@]21C	13385643	UQEVJIYDECNMHF-XEGUGMAKSA-N	232.323	3.083	0	1	BGAF	biogenic
CC1=CCC2=C(C)CCC3=C(C)C(=O)O[C@H]3[C@H]12	15264845	FRPSUTLKKACGJQ-ZIAGYGMSSA-N	230.307	3.305	0	1	BGAF	biogenic
COc1cc(-c2ccccc2C)cc(OC)c1O	64746559	QNTKPPIURNFAPP-UHFFFAOYSA-N	244.290	3.385	0	1	BGAF	
Oc1ccc(CCc2ccc(F)cc2)c(O)c1	95563409	CGKKFBUAZNYSAI-UHFFFAOYSA-N	232.254	3.022	0	1	BGAF	
C/C=C1\[C@H]2C=C(C)C[C@@]1(F)c1ccc(O)nc1C2	101210759	KBXWALUGKCDAGK-HZRLMBICSA-N	245.297	3.421	0	1	BGAF	
C[C@@H]1CC[C@H]2C[C@H]3C(=O)CC[C@]13C2(C)C	103146598	BRHRYZRSQMWNQN-ZHPDPMBESA-N	206.329	3.428	0	1	BGAF	
CC(C)CC[C@H](C)OC(=O)CC(C)C	238760210	FXTMCJQOEROJES-NSHDSACASA-N	200.322	3.400	0	1	BGAF	
CCc1nccn1-c1c(C)[nH]c2cc(F)ccc12	587635842	OCSPDVCBKSEHCE-UHFFFAOYSA-N	243.285	3.364	0	1	BGAF	
C[C@@H]1C(=O)O[C@@H]2CCC3=CCC[C@H](C)[C@]3(C)[C@@H]12	14612493	JUHMZHQQLBHURI-KKQCIPQASA-N	234.339	3.321	0	1	BGAF	biogenic
CC[C@@H](C)COc1cccc2ccc(N)nc12	28385343	YLIRVLXATQGNTR-SNVBAGLBSA-N	230.311	3.242	0	1	BGAF	in-vivo
Cn1c(-c2ccc(O)cc2)cc2cc(O)ccc21	29226001	KTRMZSLUZUTJMT-UHFFFAOYSA-N	239.274	3.257	0	1	BGAF	
C[C@H]1CCCC(C)(C)[C@H]2[C@@H]3O[C@]12CC[C@]3(C)O	34417270	ASXSVCYEAPHTSV-CUZKYEQNSA-N	238.371	3.131	0	1	BGAF	
CCCN1CCC(c2ccccc2OC)CC1	95592699	RELHZEKCQXCNLK-UHFFFAOYSA-N	233.355	3.285	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cccc(OC)c2[nH]1	586890987	QHLAEZPJJPDWHI-XPTSAGLGSA-N	230.311	3.475	0	1	BGAF	
COC(C)(C)Cc1cc2c3c(cccc3n1)CC2	587213125	YIAMJVQZHMUKDI-UHFFFAOYSA-N	241.334	3.301	0	1	BGAF	
Cc1nc2cc(F)c(Cl)cc2nc1C	653838805	SZQPFKJVLJCAQQ-UHFFFAOYSA-N	210.639	3.039	0	1	BGAF	
CC(=CCC[C@]1(C)O[C@@]2(C)CC[C@H]1[C@@H]2C)CO	2356592933	PXVKOXQKGLNFDE-AJNGGQMLSA-N	238.371	3.299	0	1	BGAF	
C[C]1C=CN(CC(=O)c2ccccc2)C=C1C	2356850724	VBZINWOHNKHTJS-UHFFFAOYSA-N	226.299	3.197	0	1	BGAF	
CC(C)n1c(-c2cccnc2)nc2cnccc21	520394	UJDFXUUPWFJRGV-UHFFFAOYSA-N	238.294	3.074	0	3	BGAF	
COc1ccc(-c2nocc3cccc2-3)cc1	28569186	ACZAWBDGXSWNFN-UHFFFAOYSA-N	225.247	3.455	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C(CO)[C@@H]2[C@H]13	101562385	JIXPRNKLOIEGFI-JARUQAPTSA-N	220.356	3.243	0	1	BGAF	
CC(C)(c1cccnc1)[C@@H](N=O)c1cccnc1	169713620	CJLBATLINTYVRN-ZDUSSCGKSA-N	241.294	3.262	0	1	BGAF	
Cc1cc2cc3c(C)coc3c(C)c2oc1=O	49000169	BXPHCHMGHKNYOV-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
c1cc2c(ncc3[nH]nc(C4CCCCC4)c32)[nH]1	88347299	NQKQBQVEFPTHFU-UHFFFAOYSA-N	240.310	3.487	0	1	BGAF	
CC(C)c1nc2cc3c(cc2o1)[C@H]1CNC[C@H]3C1	101058025	JHFTWXCZLKAESI-NXEZZACHSA-N	242.322	3.125	0	1	BGAF	
Cc1nc2ccc(N)cc2nc1-c1ccccc1	116495116	LOMIVQJULVEATF-UHFFFAOYSA-N	235.290	3.187	0	1	BGAF	
C[C@@]12CCCCC[C@H](Cc3ccc(O)cc31)[C@@H]2N	3830681	VTMVHDZWSFQSQP-UHOFOFEASA-N	245.366	3.114	0	1	BGAF	
Cc1ccc(NC(=S)c2ccccn2)cc1F	26993509	RNSTXXXYXXCIKS-UHFFFAOYSA-N	246.310	3.317	0	1	BGAF	
CC1=C[C@H]2C[C@@]3(CCOC3=O)C(C)(C)[C@H]2CC1	140173351	LWKYOCBKCDIMKI-SLEUVZQESA-N	234.339	3.322	0	1	BGAF	
CCCCC[C@H](C)[C@]1(C)SC(=O)[C@@H](C)C1=O	169719220	PAEKPHDFBYRRMM-KWBADKCTSA-N	242.384	3.440	0	1	BGAF	
CC1=C2CC[C@@H](C)[C@@H]2C[C@H]2[C@H](C1)OC(=O)[C@@H]2C	238742975	LGGWYHIMEGQREQ-WLWLIVMJSA-N	234.339	3.321	0	1	BGAF	
CCCCCC[C@@H](O)CC=CC=CCC(=O)O	2356684682	URAJSOLJUHSVKY-CYBMUJFWSA-N	240.343	3.295	0	1	BGAF	
Fc1ccc(-c2cc(NCC3CC3)ncn2)cc1	82161062	GFXKVLHFRLPKMX-UHFFFAOYSA-N	243.285	3.105	0	1	BGAF	
CCCC[C@H]1CN(C2CCCCC2)CC[C@H]1N	139146264	MOCHGBZSRBVYPK-DZGCQCFKSA-N	238.419	3.159	0	1	BGAF	
CC(C)Oc1cccc(-c2cn3c(n2)CCC3)c1	1857766315	VYEYXWPFGSQWDX-UHFFFAOYSA-N	242.322	3.284	0	1	BGAF	
COc1ccc(C=CC(=O)O)cc1CC=C(C)C	2356474579	XWVOBHSSIJXKCV-UHFFFAOYSA-N	246.306	3.302	0	1	BGAF	
COc1ccc(OC)c2c(C(C)=O)cccc12	1636292	QYCPCTSAMIMLQQ-UHFFFAOYSA-N	230.263	3.060	0	1	BGAF	
Cc1cc(C)c2c(n1)Nc1ccccc1C(=O)N2	5930774	NEJSZRPFHKBQHV-UHFFFAOYSA-N	239.278	3.008	0	1	BGAF	
COc1ccc([C@@H]2C3CCC(CC3)[C@H]2CN)cc1	28011863	UHORERNNJNTEOU-TUHYSUIHSA-N	245.366	3.174	0	1	BGAF	
CCCN1CC[C@@H]2c3cccc(OC)c3CC[C@H]21	28757900	VUKJBNUKLLGULS-UKRRQHHQSA-N	245.366	3.209	0	1	BGAF	
CC(C)/C=C1/C[C@H](c2ccccc2)OC1=O	40980888	NWLDMBZRSYWHGK-LLBKUYECSA-N	216.280	3.257	0	1	BGAF	
C[C@H]1CC[C@]23[C@@H](C)CC[C@H](C(C)(C)O)[C@H]2[C@H]13	95910240	UDKJLEWHLZPFOR-XTXFXJEVSA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
COc1cc2nc(C3CCC3)[nH]c2cc1C	586885032	UUVGYEILZGOEIL-UHFFFAOYSA-N	216.284	3.147	0	1	BGAF	
Cc1nn(C)cc1-c1cc2c3c(cccc3n1)CC2	587210748	GRZYTQMKTCIMGT-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
NO[C@H](c1ccccc1)c1ccccc1Cl	1857592232	BWCXFGRUWWFVBM-CYBMUJFWSA-N	233.698	3.320	0	1	BGAF	
C[C@@H]1C=C2C=C[C@H](C)[C@]3(CCC(=O)O3)[C@H]2CC1	2356404810	XIZPBKMZTBITPA-TZQJONAQSA-N	232.323	3.241	0	1	BGAF	
COc1ccc2c(c1)[C]1O[C@@H](C)CC1=C(C)N2	2356825641	HTHIUJRSUAXUPD-QMMMGPOBSA-N	230.287	3.084	0	1	BGAF	
C[C@@H](N)C1c2ccccc2Cc2ccccc21	13473110	OXLDTPJMGXRPDN-LLVKDONJSA-N	223.319	3.070	0	1	BGAF	
N[C@@H]1C[C@@H]2C[C@@H]1c1ccc(C(F)(F)F)cc12	101224457	YVQIQERXVFKDDA-MQOMDTIOSA-N	227.229	3.007	0	1	BGAF	
CC(C)CCc1cccc2occ(O)c(=O)c12	1857745808	ATXAFOJTKRQMEU-UHFFFAOYSA-N	232.279	3.087	0	1	BGAF	
CC(C)=CCc1c(O)ccc2c(=O)oc(C)cc12	2356718502	XQHROGLHTXIFIR-UHFFFAOYSA-N	244.290	3.316	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@H]1C=C[C@](C)(O)[C@@H](O)C1	13377209	YRFJMOGROZTYPC-QPSCCSFWSA-N	238.371	3.057	0	1	BGAF	in-man
C=C1C(C(=O)O)=C[C@]2(C)CC[C@@H]3[C@@H](C)CC[C@]132	14708984	UVFNMUDXUUEMMB-WRESQXIRSA-N	232.323	3.400	0	1	BGAF	biogenic
C[C@H]1C=C2C(=O)OCC2=C[C@@H]2CC(C)(C)C[C@H]12	85994882	SKKVKZCMCUKCDI-OPQQBVKSSA-N	232.323	3.098	0	1	BGAF	biogenic,in-vitro
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@H]2C1	138848719	LKKDASYGWYYFIK-OSRDXIQISA-N	240.387	3.115	0	1	BGAF	
C[C@@H]1Cc2cc(C(N)=O)sc2-c2ccccc21	653690484	BWUKIWPFHZBRNY-MRVPVSSYSA-N	243.331	3.174	0	1	BGAF	
C[C@@H]1CC[C@@]2(NC=O)[C@@H]1[C@@H]1[C@@H](CC[C@H]2C)C1(C)C	2356572317	XKLUOZVZDDWYQN-UNVMTRKTSA-N	249.398	3.219	0	1	BGAF	
C[C@@H]1N(C)c2c(ccc3cccnc23)C1(C)C	2356840979	NDIGZFFCFIGTKL-JTQLQIEISA-N	226.323	3.351	0	1	BGAF	
C[C@H](CCCCCC(=O)O)CCCCC(=O)O	38789160	UKNHHXHMIJAHJZ-LLVKDONJSA-N	244.331	3.303	0	1	BGAF	
CC(=S)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	299884142	SOCGROLMYUCUSI-WTPMCQDGSA-N	210.342	3.175	0	1	BGAF	
Cc1ccc(Cn2ccc(=N)c3ccccc32)cc1	377836330	XYEWNYBUMALDPB-UHFFFAOYSA-N	248.329	3.477	0	1	BGAF	
O=C1CCC[C@H](c2nc3ccc(F)cc3[nH]2)CC1	586885130	XWBQHAWNFXOVPZ-VIFPVBQESA-N	246.285	3.319	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1CCCC1)O2	587407314	ZZMNXLHZUJFGRR-AWEZNQCLSA-N	245.322	3.101	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@](C)(O3)[C@@H]2C1	2356395256	NEAFXVXDYNEEDN-MYYUVRNCSA-N	238.371	3.131	0	1	BGAF	
CC1=C2C=CC[C@]2(C)C[C@@H]2[C@H](C1)OC(=O)[C@H]2C	2356430999	YRBWMPVNAOADAX-TZQJONAQSA-N	232.323	3.241	0	1	BGAF	
Cc1ccc2[nH]c3cc4c(cc3c2c1)OCO4	13334736	WWKFWHHZWYIRLI-UHFFFAOYSA-N	225.247	3.358	0	1	BGAF	biogenic
C/C(=C1/SC(=S)N=C1O)c1cccs1	34006347	XOHXKDXXINIMJG-ALCCZGGFSA-N	241.362	3.467	0	1	BGAF	
Oc1cc(O)cc(/C=C/c2ccsc2)c1	70462985	RZUMIQSUTCXKMW-OWOJBTEDSA-N	218.277	3.330	0	1	BGAF	
CC1(C)CCC[C@@]2(C)CC[C@@](O)(CO)CC=C12	144499845	LQBGAADVDFAMPH-LSDHHAIUSA-N	238.371	3.037	0	1	BGAF	
COc1ccc2c(c1)[C@H]([C@@H]1C[C@@H]1C)N[C@@H]1CC[C@H]21	962998342	VLSRIMXTCHOTAM-KRNPMLGVSA-N	243.350	3.242	0	1	BGAF	
Oc1ccccc1-c1nc2ccncc2s1	1857617889	JEUPSKBVFFEVIX-UHFFFAOYSA-N	228.276	3.064	0	1	BGAF	
CCCN1[C@@H](C)C[C@H]2c3c(O)cccc3CC[C@H]21	28757863	UZURACXTLVIQPF-IACUBPJLSA-N	245.366	3.295	0	1	BGAF	
CCCCc1ccc(-c2nc(CN)co2)cc1	72180665	ASJIIPYDBZRJHU-UHFFFAOYSA-N	230.311	3.143	0	1	BGAF	
C/C(=C/CC[C@]1(C)C2C[C@H]3[C@H](C2)C31C)CO	100072577	PDEQKAVEYSOLJX-FEKVRTQXSA-N	220.356	3.387	0	1	BGAF	in-vitro
CCCN1CCC[C@H]2c3ccc(O)cc3CC[C@H]21	253635039	BGWNOOWFGJBORE-JKSUJKDBSA-N	245.366	3.296	0	1	BGAF	
Cc1ccnc2[nH]c(-c3occ4c3CCC4)nc12	586905498	RBHUZXCXJYSJPA-UHFFFAOYSA-N	239.278	3.015	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC1(C)C)O2	587406443	RAWGFRGVPPBXHO-OAHLLOKOSA-N	245.322	3.101	0	1	BGAF	
O=Cc1c(O)n(-c2ccccc2)c2ccccc12	777911	RJVHMYSAUZAVFQ-UHFFFAOYSA-N	237.258	3.149	0	1	BGAF	biogenic
O=C(O)CC[C@H]1CCc2cccc3occ1c23	6513597	UGOKXWIGENSUOJ-SECBINFHSA-N	230.263	3.327	0	1	BGAF	
CC1=CC(=O)C[C@]2(C)CC[C@H](C(C)(C)O)C[C@@H]12	14452653	FHYDKOXNQTYJEV-WHOFXGATSA-N	236.355	3.099	0	1	BGAF	biogenic
Cc1ccc(Oc2ccccc2O)c(O)c1	14944303	MZIJGDJZBODVDZ-UHFFFAOYSA-N	216.236	3.199	0	1	BGAF	
CCc1cc(=O)oc2cc3occc3cc12	64560822	AAOKYTZBRTUYHS-UHFFFAOYSA-N	214.220	3.102	0	1	BGAF	
C[C@H]1CCCC2=CC[C@H]3[C@@H]([C@@]21C)[C@]3(C)CO	238731843	BAZCLOFHPYSIHT-VNUKXSOBSA-N	220.356	3.387	0	1	BGAF	
Cc1cncc2nc(-c3ccoc3C3CC3)[nH]c12	586902453	ZQTNDMKXAISDFU-UHFFFAOYSA-N	239.278	3.404	0	1	BGAF	
Cc1ccnc2[nH]c(/C=C\c3ccsc3)nc12	587024817	DJPQECOOZMFAJS-IHWYPQMZSA-N	241.319	3.498	0	1	BGAF	
c1cc(OC23CC4CC(CC(C4)C2)C3)ccn1	1857771451	SJGLVZWMCBUBSD-UHFFFAOYSA-N	229.323	3.429	0	1	BGAF	
O=C1c2ccccc2-c2cccc3ccnc1c23	2024486	GHWKWAMIXPOYPG-UHFFFAOYSA-N	231.254	3.446	0	1	BGAF	in-vivo
CC1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1C(=O)OC[C@H]12	15147870	UQUIQVFHSGQDRL-MCYUEQNJSA-N	236.355	3.402	0	1	BGAF	biogenic
CCN1CCC23C[C@@H]4CC(C[C@@H](C4)C2)[C@@H]3C1	40391510	BAABSQDZHYWQEV-HKGGGCDWSA-N	219.372	3.155	0	1	BGAF	
Cc1cc(=O)oc2c1c(C)cc1occ(C)c12	49033083	IAYJVXVIMLRRDY-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
N[C@H]1C[C@@H]2C[C@@H]1c1cc(C(F)(F)F)ccc12	100803063	TUVADWWHSVEAFL-FZYJTZEISA-N	227.229	3.007	0	1	BGAF	
Oc1cccc2c1CC[C@H]1[C@H](c3ccncc3)[C@H]21	195112127	GHVIXHADLSTRNY-CWRNSKLLSA-N	237.302	3.231	0	1	BGAF	
CCCCCCC(=O)CC[C@H](C)OC(C)=O	196357160	GKZSXLROJBIKKD-NSHDSACASA-N	228.332	3.258	0	1	BGAF	
CC(C)C[C@H](O)c1nc2cccc(Cl)c2[nH]1	586901597	SZESXYSDJKISEI-JTQLQIEISA-N	238.718	3.296	0	1	BGAF	
CC(C)[C@@H]1CC[C@H](C)[C@]23CC(CO)=C[C@H]2[C@@H]13	2356643770	FETRHPNVBWGLFA-HWKXDMQWSA-N	220.356	3.243	0	1	BGAF	
CC(C)N[C@H](C)C(=O)c1ccc2ccccc2c1	276780	RZEGAUHOOVLKOZ-GFCCVEGCSA-N	241.334	3.409	0	3	BGAF	
CN1CC=C(c2ccccc2C(F)(F)F)CC1	5966288	PIBQWNKYAGXQHF-UHFFFAOYSA-N	241.256	3.424	0	1	BGAF	
CC(C)[C@H]1CC(=O)c2coc3c2[C@H]1C[C@H](C)[C@H]3O	14439233	VIULXZNWHKRQPB-AEISUSGSSA-N	248.322	3.295	0	1	BGAF	biogenic,in-vitro
C[C@H]1CC2=C(C=C3CC(C)(C)C[C@@H]31)C(=O)OC2	14486935	ILAONLFRMRRNAF-TVQRCGJNSA-N	232.323	3.242	0	1	BGAF	biogenic
CC1=C2C[C@@H]3[C@H](CC(C)=C2C=C1)OC(=O)[C@@H]3C	15264826	CLYNYTSBNBKWKO-SWHYSGLUSA-N	230.307	3.161	0	1	BGAF	biogenic
C[C@H](C(=O)O)c1ccc(Cc2ccoc2)cc1F	84709085	KDIWFKFUVQXPCD-VIFPVBQESA-N	248.253	3.198	0	1	BGAF	
CCCc1nc2cc(OC)ccc2n2cccc12	28639851	QHRHIXMTXDHWNQ-UHFFFAOYSA-N	240.306	3.449	0	1	BGAF	
CC(C)=CCC/C(C)=C/CSCCO	146495070	UURZZPVRNJSPOS-KPKJPENVSA-N	214.374	3.405	0	1	BGAF	
CC1=CCc2c1nc1cccc3c1c2CC3	587215560	QHMRDBCLYYIQDH-UHFFFAOYSA-N	207.276	3.293	0	1	BGAF	
CN(C)CCCNc1ccc(-c2ccccc2)o1	1772642895	OGVCDVNDCFUSLK-UHFFFAOYSA-N	244.338	3.310	0	1	BGAF	
CC(C)=CCCC(C)=CCNC(=O)C1CC1	2356314547	UKNMSFRSBQONET-UHFFFAOYSA-N	221.344	3.205	0	1	BGAF	
CN[C@]12CC=CC[C@H]1CSc1ccccc12	13831996	RWUGKZBKPGNVKR-SMDDNHRTSA-N	231.364	3.173	0	1	BGAF	
Fc1ccccc1C1=NO[C@H]2CCCC[C@@H]12	95576211	YOBUQGRUJZGIRC-PWSUYJOCSA-N	219.259	3.119	0	1	BGAF	
CC(C)(C)c1ccc(Cc2ccc[nH]c2=O)cc1	95585167	RGYFFVASMZKGLX-UHFFFAOYSA-N	241.334	3.263	0	1	BGAF	
c1ccc2c(c1)C[C@H]1NC[C@H]2c2ccccc21	100740074	HWPDIGZXZMCJHZ-HZPDHXFCSA-N	221.303	3.019	0	1	BGAF	
Cc1cc(F)c2[nH]c(-c3cncc(F)c3)nc2c1	587177103	PLGIWVXSCOTVDR-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
CCCC/C=C\c1nc2ccc(O)cc2[nH]1	587966237	TVPSLLNBQNGBBD-WAYWQWQTSA-N	216.284	3.472	0	1	BGAF	
CC(=CCC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)CO	3875790	PDEQKAVEYSOLJX-PEGGXJLSSA-N	220.356	3.387	0	1	BGAF	biogenic
CC1=C2[C@H](O)[C@]3(C(C)C)CC[C@@](C)(O3)[C@@H]2CC1	15161001	OPAPNRSNRRMTSU-FAAHXZRKSA-N	236.355	3.051	0	1	BGAF	biogenic,in-vitro
Cc1ccc(N)c(-c2ccccc2CN(C)C)c1	28571666	LBFUCVLJJXYYQF-UHFFFAOYSA-N	240.350	3.306	0	1	BGAF	
N[C@H]1C[C@H]2C[C@@H]1c1ccc(C(F)(F)F)cc12	29472458	YVQIQERXVFKDDA-PFZYVWIYSA-N	227.229	3.007	0	1	BGAF	
Cc1ccccc1C(=O)Oc1cncc(Cl)c1	40835943	DBMYBAFCAWMPAV-UHFFFAOYSA-N	247.681	3.263	0	1	BGAF	
C[C@H](c1cccs1)c1ccc(O)cc1O	147054614	SJKDLOJANSYBDC-QMMMGPOBSA-N	220.293	3.311	0	1	BGAF	
CN1C[C@H]2Cc3ccccc3[C@H]1c1ccccc12	253731857	CAPLZWSPLRNADS-DYVFJYSZSA-N	235.330	3.361	0	1	BGAF	
CC=C=CCN(C)C[C@H](C)c1ccccc1	299818092	PFXZUGUEBVGVBF-JRFFMEPESA-N	215.340	3.453	0	1	BGAF	
CCCCOc1ccc(-c2cnccn2)cc1	13530201	CWDVFUCLYPBQNG-UHFFFAOYSA-N	228.295	3.323	0	1	BGAF	
COc1ccc2cc(-n3ccnc3)ccc2c1	13674484	IARFMQDFBJWHDO-UHFFFAOYSA-N	224.263	3.034	0	1	BGAF	in-vivo
Cc1[nH]c2cc(F)ccc2c1CN(C)C(C)C	587636010	WVWRDJZAGAPUHU-UHFFFAOYSA-N	234.318	3.456	0	1	BGAF	
CCCCCC=CC[C@H]1OC(=O)C[C@@H]1C	2356539350	LHLQGGXPUHSSSP-NWDGAFQWSA-N	210.317	3.465	0	1	BGAF	
CC[C@H]1N=NC(c2ccc(F)cc2)=CN1O	4452512	LPHLUOSSNDAQRP-NSHDSACASA-N	221.235	3.017	0	3	BGAF	
CCCc1c(O)ccc2c1OC(C)(C)CC2=O	162903	LJHRNEFZAMQGQR-UHFFFAOYSA-N	234.295	3.089	0	1	BGAF	
CC1=C[C@@H]2C[C@]3(CCOC3=O)C(C)(C)[C@@H]2CC1	15273499	LWKYOCBKCDIMKI-JMSVASOKSA-N	234.339	3.322	0	1	BGAF	biogenic
CC1(C)CC(=O)[C@H]2CNc3ccccc3N=C2C1	18176939	KEGLVBMAKYUVBP-JTQLQIEISA-N	242.322	3.190	0	1	BGAF	
CC1=CCC(C)(C)C=CC(=O)[C@H](C)[C@H](N)CC1	253798340	SXHWJVDYMLLXKF-CHWSQXEVSA-N	235.371	3.232	0	1	BGAF	
Oc1cc(Nc2ccncc2)cc2cccnc12	36380960	DXMOXXQYYQPGEV-UHFFFAOYSA-N	237.262	3.079	0	3	BGAF	
C[C@]12CCC(=O)C[C@H]1CCc1ccccc12	3978413	QIVVSCJSQLKHIB-DOMZBBRYSA-N	214.308	3.260	0	1	BGAF	biogenic
C[C@@H]1CNCCc2cc(Cl)c(Cl)cc21	28132105	KTCVEIAEKPSBCJ-SSDOTTSWSA-N	230.138	3.243	0	1	BGAF	
Cc1[nH]nc2c1CCCc1c-2[nH]c2ccccc12	62154049	HEOHDCAIYRDHHZ-UHFFFAOYSA-N	237.306	3.355	0	1	BGAF	
CC[C@H](C)C1S[C@@H](C)N[C@H](C)S1	95620599	BLDFHTPIEUHZJY-FXQIFTODSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
Cc1coc2c1[C@H]1OC(=O)[C@@H]3CCC[C@H](C2)[C@]13C	238741299	KTALFCIOJDCGJF-JLBHGKSJSA-N	246.306	3.165	0	1	BGAF	
CCCC/C(NO)=C1\C=Nc2ccccc21	103980272	OTWFZEGNMUXVPC-QBFSEMIESA-N	216.284	3.283	0	3	BGAF	
COc1cc2[nH]c3c(C)nccc3c2cc1OC	13334747	OTLBRELTQIPXKR-UHFFFAOYSA-N	242.278	3.042	0	1	BGAF	biogenic
CC(C)=CCC[C@H](C)[C@]1(O)C=C[C@](C)(O)CC1	13377214	JCGJMCYVUGMULQ-KKUMJFAQSA-N	238.371	3.201	0	1	BGAF	biogenic
Cc1cc2c(C)coc2c2c1CC[C@@H]([C@H](C)O)O2	14829701	RJFPIJMZSUUNHA-GWCFXTLKSA-N	246.306	3.124	0	1	BGAF	biogenic
O=C(O)c1cccc2c1OC1(CCCCC1)C2	26645244	NAJXSZXBDYCEPG-UHFFFAOYSA-N	232.279	3.023	0	1	BGAF	
CCCc1cccc(OCCCc2c[nH]cn2)c1	26979781	NRZFWGMWQFUQJR-UHFFFAOYSA-N	244.338	3.374	0	1	BGAF	
CC(C)c1cc[n+]([O-])cc1Oc1ccccc1	27980742	DOMBTYGFPIJNFZ-UHFFFAOYSA-N	229.279	3.236	0	1	BGAF	
C1=CC[C@H](c2cc3ccccc3o2)CNC1	95585489	IHFKHNCURWJDHC-LBPRGKRZSA-N	213.280	3.066	0	1	BGAF	
O=C(Cc1ccccc1)O/C=C\c1ccccc1	198347661	OQIDJPPRRLRDSN-QXMHVHEDSA-N	238.286	3.443	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CC[C@H](O)C[C@@]2(C)C1	238774523	VGSLLDHUYDRUSE-PAPYEOQZSA-N	240.387	3.115	0	1	BGAF	
C=CC(C)=CC=C[C@](C)(O)[C@H]1CCC(C)(C)O1	2356420306	VZBMIEMHBOCITJ-HIFRSBDPSA-N	236.355	3.384	0	1	BGAF	
CC[C@](C)(O)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1C=C(C)C	2356466369	CJDZRSPYLGEJSX-TUVASFSCSA-N	238.371	3.057	0	1	BGAF	
CC1(C)CCC[C@@]1(C)c1cc(O)cc(CO)c1	2356784214	NQMYQHBIVGUVOA-HNNXBMFYSA-N	234.339	3.352	0	1	BGAF	
CNCC=C(c1ccccc1)c1ccccc1	5700538	BBLCCLMHOBSTTH-UHFFFAOYSA-N	223.319	3.338	0	1	BGAF	
c1nc(CCCCCCCCN2CCCC2)c[nH]1	13531705	UYZUQDLFLZXDNQ-UHFFFAOYSA-N	249.402	3.389	0	1	BGAF	
CN1CC[C@@H](C2C3CC4CC(C3)CC2C4)C1	26265896	DVKCUCTVNFOTIM-ZPRMVTFISA-N	219.372	3.010	0	1	BGAF	
CC(=O)[C@H](Cc1ccccc1N)c1ccccc1	27093092	JLHBPJGUMHQOCI-HNNXBMFYSA-N	239.318	3.184	0	1	BGAF	
N[C@@H]1C[C@@H]1c1cc(F)ccc1-c1ccccc1	89470033	OADWWZWZGPNUQT-HUUCEWRRSA-N	227.282	3.307	0	1	BGAF	
c1ccc2c(c1)CN[C@H]1C3C[C@@H]4C[C@H](C3)CC21C4	96931452	RDXVLTBESCSBMN-QDTTVRDOSA-N	239.362	3.236	0	1	BGAF	
N[C@@H]1[C@@H]2CC[C@@H]1c1cccc(C(F)(F)F)c1C2	100820658	GVBOIVFALSGRQZ-JWKOBGCHSA-N	241.256	3.082	0	1	BGAF	
CC[C@@H](C)[C@@H]1N[C@@H](C)S[C@@H](C)S1	100828976	WONMKWKUDGYZEA-FNCVBFRFSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
O=C(O)C[C@@]1(c2ccc(F)cc2)C[C@H]2CC[C@H]1C2	254128335	LLNOJCXJWAPFDE-ITDIGPHOSA-N	248.297	3.358	0	1	BGAF	
CC(C)[C@](C)(O)c1nc2ccc(Cl)cc2[nH]1	586886389	FYCJPBGXXABACP-LBPRGKRZSA-N	238.718	3.080	0	1	BGAF	
Cc1[nH]c2cc(F)ccc2c1-n1nccc1C	587635831	NZXKWGPBKRRJFV-UHFFFAOYSA-N	229.258	3.110	0	1	BGAF	
C[C@@H]1C[C@]23CCCN4CCC[C@H](C(=O)CC2)[C@@]43C1	1642676190	RVZXICZITJIXKD-LUYZLQTOSA-N	247.382	3.010	0	1	BGAF	
CCNC(=O)C=Cc1ccc(C(C)(C)C)cc1	1857588344	BOYNOHUOCQDZKH-UHFFFAOYSA-N	231.339	3.133	0	1	BGAF	
N[C@@H]1C[C@H]2C[C@@H]1c1cccc(C(F)(F)F)c12	26270338	ZLFRPMHJVVIOIV-GTNGPMTGSA-N	227.229	3.007	0	1	BGAF	
CN1CCC2(CC1)C1CC3CC(C1)CC2C3	28901005	SSXSBDUECZIHEC-UHFFFAOYSA-N	219.372	3.155	0	1	BGAF	
CCN1[C@@H]2CC[C@@H]1[C@H](c1ccc(Cl)nc1)C2	100023026	JQIIXRVNUHNTBY-GRYCIOLGSA-N	236.746	3.075	0	1	BGAF	
CCCCN1C=CC(=CC=C2N=CC=N2)C=C1	136160296	KBICOHLDYMEIPP-UHFFFAOYSA-N	227.311	3.053	0	1	BGAF	
CC1=CCC[C@@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12	238768752	IXDWMLXBELBEAC-VVSAWPALSA-N	234.339	3.321	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(C)nc2[nH]1	586890199	NSZRGDZYQGVDPR-NOZJJQNGSA-N	215.300	3.170	0	1	BGAF	
CSCC(C)(C)c1nc2cccc(F)c2[nH]1	586968852	KEILASNQKYUZRH-UHFFFAOYSA-N	238.331	3.343	0	1	BGAF	
CC1(C)C[C@@H](O)CC2(C[C@H](O)CC(C)(C)C2)C1	2356538035	PHWSYPIHTRRUNC-IQQIRFCMSA-N	240.387	3.115	0	1	BGAF	
CCOc1cc2c(C(=O)CC)c(O)ccc2o1	1616139	XLFRPHGEFGIFJC-UHFFFAOYSA-N	234.251	3.130	0	1	BGAF	
CO[C@H](c1c[nH]cn1)c1cccc2ccccc12	13737891	GHEFQYDQTKMXST-HNNXBMFYSA-N	238.290	3.299	0	1	BGAF	
Cc1oc(=O)cc2c1CC(C)(C)C[C@H]1C[C@]21C	14694978	PWSPHWLLNDWGKG-BONVTDFDSA-N	232.323	3.198	0	1	BGAF	biogenic
CC1=C[C@H](O)[C@H]([C@@H](C)CCC[C@H](C)CO)CC1	14859932	GEEPKSLYIJDCEN-AJNGGQMLSA-N	240.387	3.138	0	1	BGAF	biogenic
CCCC[C@@H]1[C@H](O)CCC[C@@]12CCCCN2C	27998114	JQAAYMWQZFOCNY-KFWWJZLASA-N	239.403	3.192	0	1	BGAF	
CC(C)[C@H](C)Oc1cccc2ccc(N)nc12	28373149	UQTSQIVXJFEZMJ-JTQLQIEISA-N	230.311	3.240	0	1	BGAF	in-vivo
Fc1ccc(-c2cnnn2-c2ccccc2)cc1	81481614	MPYNJDRPRMNRAD-UHFFFAOYSA-N	239.253	3.073	0	1	BGAF	
CCn1nccc1-c1cc2c3c(cccc3n1)CC2	587211157	MMISOOZXJZBCAD-UHFFFAOYSA-N	249.317	3.217	0	1	BGAF	
CCC1CC2(CC(=O)c3cc(C)cc(N)c3O2)C1	587406027	CUVIYFRBTUCZKI-UHFFFAOYSA-N	245.322	3.101	0	1	BGAF	
Oc1cc(-c2ccc(F)cc2)nc2ncccc12	5541477	OVYNUIGNLQPXLC-UHFFFAOYSA-N	240.237	3.142	0	1	BGAF	
C[C@@H]1OC(=O)C2=C1CC(C)(C)C[C@H]1C[C@@]21C	40934716	JYVVXGYNFYHSER-UINNMSKDSA-N	220.312	3.075	0	1	BGAF	
c1ccc2cc([C@@]34CCC[C@@H]3CNC4)ccc2c1	72112313	KZCROLYCBADBTI-SJORKVTESA-N	237.346	3.481	0	1	BGAF	
C/C=C\C=C\C=C\C=C\C(=O)N1C=CCCC1	238738786	JLBTYPJRECBOEI-GCTZPKKUSA-N	229.323	3.367	0	1	BGAF	
CC(C)(O)[C@@H]1CC=C2CCC[C@@](C)(O)[C@]2(C)C1	2356323332	BTDUEFQBQIZNRY-BPLDGKMQSA-N	238.371	3.035	0	1	BGAF	
CC(C)=CCc1ccc2[nH]cc(CCO)c2c1	2356341596	SFWFEXAPJYQJDO-UHFFFAOYSA-N	229.323	3.211	0	1	BGAF	
CC/C=C(C)/C=C\c1cc(=O)c(C)c(OC)o1	13430646	PXPJSJYEBJNCLO-SDHBEMGISA-N	234.295	3.326	0	1	BGAF	
CCCc1nc2ccccc2n2cccc12	28639554	UQNSCMHIUUWKQP-UHFFFAOYSA-N	210.280	3.440	0	1	BGAF	
NC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1cccc(Cl)c1	100822759	IRNIZNAXVXVLJU-RETIQXCHSA-N	235.758	3.428	0	1	BGAF	
CCCCN1CC[C@H]2c3ccccc3C[C@H]2C1	113895737	FLQWELWUFIHCPK-GOEBONIOSA-N	229.367	3.448	0	1	BGAF	
CC1(C)C(=O)CC[C@H]2C1=CC[C@]1(C)[C@H](O)CC[C@H]21	195379228	MIZURHXEGUWOLO-SFXCNKRSSA-N	248.366	3.099	0	1	BGAF	
CCO[C@]1(C)Cc2ccc(C(C)C)c(O)c21	222129508	FZDZMACDWWZLNW-CQSZACIVSA-N	220.312	3.323	0	1	BGAF	
C[C@H](F)c1cc2c3c(cccc3n1)CC2	587210394	QVXNULVPWSAEGI-QMMMGPOBSA-N	201.244	3.364	0	1	BGAF	
CC(C)C(=O)Cc1cc2c3c(cccc3n1)CC2	587214299	RLLLJUAMIBZNNH-UHFFFAOYSA-N	239.318	3.101	0	1	BGAF	
Cc1cc2ccc3c(c2cn1)O[C@@H](C(C)C)C3=O	3941842	JROFCJKUGPMKCQ-AWEZNQCLSA-N	241.290	3.143	0	1	BGAF	biogenic
Nc1c2c(nc3ccccc13)[C@@H]1CC[C@H]2C1	27108180	STSMGBGTIPIGCZ-DTWKUNHWSA-N	210.280	3.182	0	1	BGAF	
N[C@H]1C[C@H]2C[C@@H]1c1cc(C(F)(F)F)ccc12	29472453	TUVADWWHSVEAFL-PFZYVWIYSA-N	227.229	3.007	0	1	BGAF	
Cc1cc2c(o1)c(C)cc1c(C)cc(=O)[nH]c12	49035420	JETQXRZBPCLTMX-UHFFFAOYSA-N	227.263	3.200	0	1	BGAF	
O=[S@]1C=C(Oc2ccccc2)c2ccccc21	299811124	CZJLSJJLZCWZTM-KRWDZBQOSA-N	242.299	3.185	0	1	BGAF	
CCc1c2nc3ccccc3c-2c(OC)cn1C	377820001	WEWIOACJFYGMJD-UHFFFAOYSA-N	240.306	3.249	0	1	BGAF	
CC(=CCC[C@@](C)(O)[C@H]1CC=C(C)CC1)CO	2356708107	DRUPYWVNTITDJV-LSDHHAIUSA-N	238.371	3.203	0	1	BGAF	
CC(C)c1ccc2c(c1)C[C@H]1CNC[C@@H]2C1	28476029	WOACWYIUZSUINZ-RISCZKNCSA-N	215.340	3.059	0	1	BGAF	
Nc1oc2cnccc2c1Nc1ccc(F)cc1	222930388	LBVSFXWTYLZFQI-UHFFFAOYSA-N	243.241	3.293	0	1	BGAF	
COc1cc(C(C)C)c(OC(C)=O)cc1C	230478795	DGDRPKUDABZVDM-UHFFFAOYSA-N	222.284	3.052	0	1	BGAF	
C=C/C(C)=C/C=C/[C@@](C)(O)[C@@H]1CCC(C)(C)O1	238756625	VZBMIEMHBOCITJ-BRLQOXDFSA-N	236.355	3.384	0	1	BGAF	
Cc1ccc2nc([C@@H]3CCCC(=O)CC3)[nH]c2c1	586887006	RPCIEQWWQHGQST-LLVKDONJSA-N	242.322	3.488	0	1	BGAF	
CCCCOc1ccc(-n2cnc(C)c2)cc1	13530158	ITXWTUUAROJZDN-UHFFFAOYSA-N	230.311	3.360	0	1	BGAF	
C[C@@H](N)Cn1ccc2c1-c1cc(Cl)ccc1C2	26663486	XZJGQWAIMNQWOZ-SECBINFHSA-N	246.741	3.060	0	1	BGAF	
O=S1C=C(Oc2ccccc2)c2ccccc21	34825852	CZJLSJJLZCWZTM-UHFFFAOYSA-N	242.299	3.185	0	1	BGAF	
CC(C)COc1ccc(Cl)cc1[C@@H]1C[C@H]1N	72170798	BVYLMDQBOJJSTN-CMPLNLGQSA-N	239.746	3.189	0	1	BGAF	
NC12C[C@H]3CC(F)(C[C@@H](C1)c1ccccc13)C2	169337083	JTJHHYKAFPPPFM-MPLXBHQASA-N	231.314	3.251	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2c(C)nccc2[nH]1	586893219	WYZJIBNYSOBMGZ-ZANVPECISA-N	215.300	3.170	0	1	BGAF	
CC(C)(Cl)c1nc2ccc(F)c(F)c2[nH]1	587008926	SCLDKUUHDXKCTC-UHFFFAOYSA-N	230.645	3.315	0	1	BGAF	
c1cc2c3c(cc(-c4cncs4)nc3c1)CC2	587358731	FHVCPFMPOMCEME-UHFFFAOYSA-N	238.315	3.457	0	1	BGAF	
Clc1cccc(-c2cccc3ncnn23)c1	1242147535	ZROCVELWVWTSEI-UHFFFAOYSA-N	229.670	3.050	0	1	BGAF	
COc1cc(C)oc(=O)c1/C=C/c1ccccc1	26639987	DPTUCGVASXBMME-CMDGGOBGSA-N	242.274	3.127	0	1	BGAF	
FC[C@]12N[C@H](Cc3ccccc31)c1ccccc12	27889873	LGHXZBIPTSRPJL-CVEARBPZSA-N	239.293	3.100	0	1	BGAF	
Cc1c([C@H]2C=CNC=N2)sc2ccccc12	205577299	GEQOCPZVCHTQFT-LLVKDONJSA-N	228.320	3.396	0	1	BGAF	
Cc1c(F)ccc2nc(-c3cncc(F)c3)[nH]c12	587177340	WOZOCNQNKXHYEN-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
Cc1ccc2c(c1)C[C@H]1N[C@]2(C)c2ccccc21	1494588	COTWLMPTKSJPGT-SJORKVTESA-N	235.330	3.459	0	1	BGAF	
CCCC[C@@H]1c2nc(N)nc3c2[C@@H](CC3)C[C@H]1C	14594374	IECGAEWATGHTLG-VWYCJHECSA-N	245.370	3.402	0	1	BGAF	biogenic
C=C[C@](C)(O)C[C@H]1C=C(C)C[C@H](C=C(C)C)O1	15160395	NNCJOVBGLCRHAN-ZNMIVQPWSA-N	236.355	3.384	0	1	BGAF	biogenic
C[C@H]1C=C2C=C[C@H](C)[C@H](/C=C/C(=O)O)[C@H]2CC1	84724057	BYJSVNHVPRQKSV-WWZZNHHWSA-N	232.323	3.422	0	1	BGAF	
CCCN(CC)[C@@H]1CCc2c(cccc2OC)C1	169329541	XVKFPIXIPKXHDG-CQSZACIVSA-N	247.382	3.284	0	1	BGAF	
CC(C)[C@H]1CC[C@](C)(O)[C@@H]2[C@H]3C[C@H](C)C[C@]132	238741038	CKZXONNJVHXSQM-RHTUOURWSA-N	222.372	3.466	0	1	BGAF	
Cc1cc(-c2cc3c4c(cccc4n2)CC3)nn1C	587210730	FNEUHHDGTASQIN-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
Cc1cc2cc[n+](C)c3c2c(n1)-c1ccccc1-3	1772577326	RSTPSRSBYBBOLW-UHFFFAOYSA-N	233.294	3.015	0	1	BGAF	
CC1=C[C@@H]2C3=C(C)C(=O)OC3=C[C@@H](C)[C@H]2CC1	2356288041	URQSHIUUUUGZPU-JLLWLGSASA-N	230.307	3.366	0	1	BGAF	
CC(=CCC[C@@](C)(O)[C@@H]1CC=C(C)CC1)CO	2356708106	DRUPYWVNTITDJV-HUUCEWRRSA-N	238.371	3.203	0	1	BGAF	
C[C@@H]1CC[C@@]2(N)[C@@H]1[C@@H]1[C@@H](CC[C@H]2C)C1(C)C	2356786204	ZKBVUQVTVPCLNT-CGNPOWQISA-N	221.388	3.432	0	1	BGAF	
c1cnc2cc(-c3ccsc3)ncc2c1	36388895	UJYQWONJDXBBHJ-UHFFFAOYSA-N	212.277	3.358	0	3	BGAF	
c1cc2c3c(c1)ccn3Cc1cc3c(cc1-2)OCO3	12153560	DXWYHCCVRJSZEP-UHFFFAOYSA-N	249.269	3.399	0	1	BGAF	biogenic
CCCCC/C=C/c1c(O)ccc(O)c1CO	15272671	PTXOZTNDVQYKHC-VOTSOKGWSA-N	236.311	3.184	0	1	BGAF	
CN(C)CC1c2ccccc2Cc2ccccc21	27721628	FCRIMCQUUZFBDN-UHFFFAOYSA-N	237.346	3.284	0	1	BGAF	
Cc1cccc(Nn2c(C)c(C)[nH]c2=S)c1	33493428	RPXIFANNDKGXCH-UHFFFAOYSA-N	233.340	3.346	0	1	BGAF	
CC(=O)c1ccc(C)c2ccc(C(=O)O)c-2c1	90756352	CJVPHJXVLKAKQF-UHFFFAOYSA-N	228.247	3.001	0	1	BGAF	
CNc1ccc2nc(-c3ccccc3)sc2n1	205323716	UMZJTQCFGUPVKK-UHFFFAOYSA-N	241.319	3.400	0	1	BGAF	
COc1cccc(-c2ccnc3[nH]cc(C#N)c23)c1	219697138	ZZDGQQQSEKEUFO-UHFFFAOYSA-N	249.273	3.110	0	1	BGAF	
CC1=CC[C@H]2[C@@H]3[C@H](C(C)(C)O)CC[C@@]2(C)[C@H]13	238770237	IKIHFZGZEWTHEQ-NLRWUALESA-N	220.356	3.386	0	1	BGAF	
CC1=CC[C@H]2[C@@H]3[C@H]1[C@]2(C)C[C@H](O)[C@@H]3C(C)C	257390697	BVCNHEVITXGCEP-WCBJTDJXSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
C[C@]12CCc3c(nc4cccc5c4c3CC5)[C@H]1O2	587216318	ZXKVLOYXYZDTQF-CVEARBPZSA-N	237.302	3.110	0	1	BGAF	
Cc1[nH]c2c(C(=O)O)cccc2c1C(F)(F)F	587638073	TXUNOBRTMAOKPT-UHFFFAOYSA-N	243.184	3.193	0	1	BGAF	
Cc1ccc2c(c1)O[C@H](C[C@H](C)O)C[C@H]2C	2356874189	YTSLUCUOKPWEMY-WOPDTQHZSA-N	220.312	3.021	0	1	BGAF	
C1=C(c2nc3ccccc3s2)C2CCN1CC2	17172	NBAPIQQREIVGBA-UHFFFAOYSA-N	242.347	3.363	0	1	BGAF	
COc1c2c(nc3ccccc13)OC(C)(C)C=C2	14589546	CZLUQUGZYVHBAL-UHFFFAOYSA-N	241.290	3.428	0	1	BGAF	biogenic
Cc1ccc2[nH]cc(C3=CCCN(C)C3)c2c1	26745031	YDCPTVNEBFGSSM-UHFFFAOYSA-N	226.323	3.195	0	1	BGAF	
Cc1ccc2[nH]cc(C[C@H]3CCCN3C)c2c1	29463057	DLVUMTZHLNUJRV-CYBMUJFWSA-N	228.339	3.113	0	1	BGAF	
CCc1c(C2(O)CCCCC2)[nH]c2cnccc12	36388940	YRNRGGBAFVOLMM-UHFFFAOYSA-N	244.338	3.277	0	3	BGAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@H]1O	100067599	KSMZUKWIDPCGBS-FMKNKJFCSA-N	238.371	3.131	0	3	BGAF	in-vitro
C[C@@H]1[C@H]2CCC[C@@]1(c1cccc(O)c1)[C@@H](C)N2C	169317643	CFFHIFVCBLNHRE-BHTHQVBYSA-N	245.366	3.153	0	1	BGAF	
C/C(=C/CC[C@]1(C)[C@H]2C[C@H]3[C@@H](C2)[C@]31C)CO	299808527	PDEQKAVEYSOLJX-MHQZHFDVSA-N	220.356	3.387	0	1	BGAF	
c1cn(CC2CCCCC2)c(CN2CCCC2)n1	621478517	WVABLSAVQLBMGK-UHFFFAOYSA-N	247.386	3.059	0	1	BGAF	
CC1=C[C@@H]2[C@H](C=CC[C@@H]2C(C)C)C[C@H]1O	2356794745	LJDAGECYYBEJHA-AAVRWANBSA-N	206.329	3.162	0	1	BGAF	
CC1=COC=C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12	14710523	ASHFJTARVFWHHX-SWLSCSKDSA-N	244.290	3.218	0	1	BGAF	biogenic
CCCCc1ccc2[nH]cc(CC(=O)O)c2c1	28714419	OAWZHJGPYRUETD-UHFFFAOYSA-N	231.295	3.138	0	1	BGAF	
Cc1cccc2sc(-c3ccccc3)c(O)[n+]12	29413279	XRHLPOPUYPBNCT-UHFFFAOYSA-O	242.323	3.168	0	1	BGAF	
CC1=CC2=C(C[C@H]3CC(C)(C)C[C@@H]13)C(=O)OC2	238760583	SPRTUTBFXHYHOO-GWCFXTLKSA-N	232.323	3.242	0	1	BGAF	
CC(C)[C@](C)(O)c1nc2cccc(Cl)c2[nH]1	586893502	ZQIZCZNBQCGIEQ-LBPRGKRZSA-N	238.718	3.080	0	1	BGAF	
Oc1cc(C2CCCCC2)nn1-c1ccccn1	1245936547	XINSJORUKYHZMM-UHFFFAOYSA-N	243.310	3.021	0	1	BGAF	
CCCn1c(SC)nc2c(C)cccc21	5839265	UZKKZTMZOONNOO-UHFFFAOYSA-N	220.341	3.477	0	1	BGAF	
CN(C)CCCc1c[nH]c2cc(Cl)ccc12	28343724	STVKDVYWPPYAKI-UHFFFAOYSA-N	236.746	3.316	0	1	BGAF	
CC1(C)C(=O)CC[C@H]2C1=CC[C@]1(C)[C@@H](O)CC[C@@H]21	169291282	MIZURHXEGUWOLO-ZAJUMQRFSA-N	248.366	3.099	0	1	BGAF	
Cc1ccc(C(N)=S)cc1-c1ccc(O)cc1	1857584053	OKXPVHGDJIFSOA-UHFFFAOYSA-N	243.331	3.002	0	1	BGAF	
CC(C)[C@@H]1C[C@@]2(C)[C@H]3CC[C@](C)(NC=O)[C@H]2C[C@@H]13	2356395390	PDLPLWDSKGNXJE-QNILMXGZSA-N	249.398	3.219	0	1	BGAF	
Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13	28902586	SWTAISDIUOZWOE-UHFFFAOYSA-N	246.269	3.028	0	1	BGAF	in-vivo
c1csc(CNC23C[C@@H]4CC2C[C@H](C4)C3)c1	100751819	NDQGLSWMMRANBN-PZFKGIAWSA-N	233.380	3.416	0	1	BGAF	
C[C@H]1[C@@H]2CCC[C@]1(c1cccc(O)c1)CCN2C	100810511	JBSRPCWYMOJXAM-RCBQFDQVSA-N	245.366	3.154	0	1	BGAF	
CNC12C[C@H]3C[C@H](C1)CC(C(C)C)(C3)C2	102142680	WDAVNYNXUBKMOS-FEPKRQSRSA-N	207.361	3.201	0	1	BGAF	
CCCC/C=C/c1nc2cc(F)cnc2[nH]1	587966600	WTYKBQFREFWNOC-AATRIKPKSA-N	219.263	3.300	0	1	BGAF	
COc1c(C(C)=O)ccc2c1C=CC(C)(C)O2	13306384	NQTRXUYMPWDISO-UHFFFAOYSA-N	232.279	3.082	0	1	BGAF	biogenic
CCCN(CCC)CCc1ccccc1O	34279120	SPVQYHCKYXBTNQ-UHFFFAOYSA-N	221.344	3.057	0	1	BGAF	
CC1(C)Cc2nc3cccc4c3c(c2C1)CC4	587215313	LIPMNLBWGFIJIF-UHFFFAOYSA-N	223.319	3.458	0	1	BGAF	
C[C@@H]1C[C@]23CCCN4CCC[C@H](C(=O)CC2)[C@]43C1	1642676204	RVZXICZITJIXKD-VDERGJSUSA-N	247.382	3.010	0	1	BGAF	
Cc1cc(N)nc(C)c1-c1cccc2cc[nH]c12	1772655310	SKDYRLUSHZMKOQ-UHFFFAOYSA-N	237.306	3.429	0	1	BGAF	
CN1c2ccccc2C=C2c3ccccc3N[C@H]21	2356782078	CPVANMLTKXLIBY-INIZCTEOSA-N	234.302	3.429	0	1	BGAF	
CCOc1ncc(CC[C@@H](C)CC)nc1C	26674569	HGNNYUOEXPRIPV-JTQLQIEISA-N	222.332	3.162	0	1	BGAF	
CC(C)=CCOc1ccc(/C=C/C(=O)O)cc1C	66258736	PQWZBDOUHQKDJB-FNORWQNLSA-N	246.306	3.438	0	1	BGAF	
CN(C)C12C[C@H]3CC(C[C@@H](C3)C1)C2(C)C	103023443	KQUHHGWKYAPVIY-IBQNZTRDSA-N	207.361	3.153	0	1	BGAF	
Oc1ccc2ncn(C3CCCCCCC3)c2n1	118270941	SUXJQCWMXDZIDO-UHFFFAOYSA-N	245.326	3.422	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@]1(O)CCC(C)=C[C@H]1O	238763603	XSCKUUHHFRRUMW-RBSFLKMASA-N	238.371	3.201	0	1	BGAF	
CC(C)[C@@](C)(O)c1nc2cccc(Cl)c2[nH]1	586893501	ZQIZCZNBQCGIEQ-GFCCVEGCSA-N	238.718	3.080	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@]3(C)O)C2(C)C	2356542963	HEONDCYMGTYQCB-BFWDZPHWSA-N	222.372	3.466	0	1	BGAF	
Clc1ccc2c(c1)CCN(c1ccncc1)C2	13489838	AHYWGECZZBWYCJ-UHFFFAOYSA-N	244.725	3.298	0	1	BGAF	
Cc1c(-c2ccccc2)sc2ncnc(N)c12	72123334	ZNYICHQQDRWFOZ-UHFFFAOYSA-N	241.319	3.249	0	1	BGAF	
CC[C@H](C)Nc1cc(-c2ccccc2F)ncn1	82162442	LUOCDBUVJOPBIK-JTQLQIEISA-N	245.301	3.493	0	1	BGAF	
C/C=C\CCCCC1=C(C)C(=O)N2CCC[C@@H]2O1	136754439	QFSVKKKDSOYBCD-NQHOJNORSA-N	249.354	3.376	0	1	BGAF	
Cc1coc2c1[C@@H](O)[C@]1(C)[C@@H](C)CCC[C@@H]1C2=O	238732166	SJIYIVOHXKBNGK-UNNXFLIFSA-N	248.322	3.260	0	1	BGAF	
CC(C)=C/C=C1\O[C@@H]2C=C(C)CC[C@@H]2[C@]1(C)O	238776984	ORTJVSXUILUUMF-XNUMPBDCSA-N	234.339	3.343	0	1	BGAF	
Cc1cnc2[nH]c(-c3occ4c3CCC4)nc2c1	586905318	KOMFPPZAPFGRFU-UHFFFAOYSA-N	239.278	3.015	0	1	BGAF	
O=C(O)/C(S)=C/c1cc(Cl)ccc1Cl	1857750737	RLBZVNVDTHFDAA-YWEYNIOJSA-N	249.118	3.349	0	1	BGAF	
O=C(O)C=CCCCCCCCCCC(=O)O	2356435090	QMTCVGUNYZWEJH-UHFFFAOYSA-N	242.315	3.223	0	1	BGAF	
C[C@@H]1CC[C@@H]2C[C@](C)(O)C[C@@H]3[C@@H]([C@@H]12)C3(C)C	2356518339	NKIWRYQBASKLRK-CGNPOWQISA-N	222.372	3.466	0	1	BGAF	
O=C([C@@H](F)CCCc1ccccc1)C(F)(F)F	49072930	ZJWMBXPFXFSELY-JTQLQIEISA-N	248.219	3.479	0	1	BGAF	in-vivo
CC1=CC[C@H]2[C@H](C2(C)C)[C@@]12[C@H](C)CC[C@H]2O	238762808	FFQOLUDKOBQBCT-WPLOAARJSA-N	220.356	3.386	0	1	BGAF	
Oc1ccc(-c2cc(-c3ccccc3)[nH]n2)cc1	78160690	QCNLNQVIZYSFBA-UHFFFAOYSA-N	236.274	3.449	0	1	BGAF	
CO[C@H](c1ccccc1)c1scnc1C	95555660	YCUVBXMAWBEKQK-LLVKDONJSA-N	219.309	3.187	0	1	BGAF	
CC[C@@H]1OCCC[C@H]1c1nc2ccccc2[nH]1	586914847	YPXUNGAVGAYWLL-MFKMUULPSA-N	230.311	3.236	0	1	BGAF	
Cc1ccc2nc(COC(F)(F)F)[nH]c2c1C	587125210	QZWKLHDTKZZIAR-UHFFFAOYSA-N	244.216	3.216	0	1	BGAF	
CC1(C)C(=CC2OCCCO2)[C@H]2CC[C@H]1C2	2356651952	IXHMLOUMUQBJKH-QWRGUYRKSA-N	222.328	3.132	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@]1(O)CCC(C)=C[C@@H]1O	13377240	XSCKUUHHFRRUMW-SOUVJXGZSA-N	238.371	3.201	0	1	BGAF	biogenic
Cc1ccc([C@@]2(C)C[C@@H](O)CC2(C)C)cc1	13412405	SRSPZMSNYAVIMD-DZGCQCFKSA-N	218.340	3.434	0	1	BGAF	biogenic
CC(C)c1cccc(C(C)C)c1NC1=NCCN1	13835985	ZVMKHMLLALLVED-UHFFFAOYSA-N	245.370	3.305	0	1	BGAF	
CC[C@@H](Cc1ccc(O)cc1)c1ccc(O)cn1	42966538	FDYBANGDFXKEOP-LBPRGKRZSA-N	243.306	3.229	0	1	BGAF	
O=C(/C=C/c1ccc(O)cc1)Oc1ccccc1	103275206	XJGDWYSZZPUQSL-DHZHZOJOSA-N	240.258	3.011	0	1	BGAF	
CC[C@H](N=O)/C(C)=C/c1ccc(C)nc1	169723660	ZVEBXHBALYRBCB-CRALRDPISA-N	204.273	3.338	0	1	BGAF	
CC[C@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403503	NTYFRAYPVUOMAC-BONVTDFDSA-N	247.338	3.347	0	1	BGAF	
CCCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587404206	CIEQHCSKAHCEIF-LLVKDONJSA-N	247.338	3.491	0	1	BGAF	
O=c1scc(-c2ccc(Cl)cc2)s1	265645	QJVRCCXUUNJQNW-UHFFFAOYSA-N	228.725	3.490	0	1	BGAF	
CC1=C[C@H](C/C(C)=C/CCc2ccoc2)OC1=O	15217848	LMVBLGWKMLOBGT-BJTBTHHMSA-N	246.306	3.420	0	1	BGAF	
Cc1cc2c(o1)c(C)c(C)c1ccc(=O)oc12	28016886	SQECVKHKIHDURX-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
c1ccc(C[C@H]2CC(c3ccccc3)=NO2)cc1	40834563	IMTGFFLRCGPYTN-HNNXBMFYSA-N	237.302	3.422	0	1	BGAF	
CCn1c(-c2cccnc2)nc2ccc(F)cc21	204753341	LCTIOGYYEIBCKE-UHFFFAOYSA-N	241.269	3.257	0	1	BGAF	
COc1ccc(OC)c(CCc2ccccc2)c1	222800894	HMXFUCWGACGKFL-UHFFFAOYSA-N	242.318	3.489	0	1	BGAF	
CC[C@@H](C)c1nc2cc(Cl)cnc2[nH]1	587955117	GGVFJCYDTIVLCV-ZCFIWIBFSA-N	209.680	3.125	0	1	BGAF	
Cc1nc[nH]c2ncc(Sc3cccs3)c1-2	653775421	VDTPZCQFJRUDQP-UHFFFAOYSA-N	247.348	3.431	0	1	BGAF	
C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1ccco1)C2(C)C	1857749026	QKFAMEFRRVZKKF-MHDGFBEUSA-N	233.355	3.440	0	1	BGAF	
Cc1sc(C)c2c1CCCc1nccn1-2	13537824	VBPCEMPPAWIIEA-UHFFFAOYSA-N	218.325	3.039	0	1	BGAF	
CC1=Cc2c(cc(C)oc2=O)O[C@@H]1c1ccco1	28820347	SHQMQDCGADUTJT-ZDUSSCGKSA-N	244.246	3.078	0	1	BGAF	
CCN(CC)C12C3[C@H]4CC[C@@H]1[C@H]4[C@H]1[C@@H]2CC[C@@H]31	169349775	GDVMUULPVWCANP-GWYIWLFUSA-N	231.383	3.009	0	1	BGAF	
Fc1cnc2[nH]c(/C=C\c3ccsc3)nc2c1	587025059	FJZJVFJUPMHWAF-UPHRSURJSA-N	245.282	3.329	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CCC2=CC(=O)C[C@@H](C)[C@@]21C	13385642	UQEVJIYDECNMHF-DGFSRKRXSA-N	232.323	3.083	0	1	BGAF	biogenic
COc1cc(/C=C/c2ccccc2)oc(=O)c1C	238784634	ALTYBKZUBTXQOK-CMDGGOBGSA-N	242.274	3.127	0	1	BGAF	
Nc1nc2ccc(Nc3ccccc3)cc2o1	299838192	MBWWALRCCGUJPC-UHFFFAOYSA-N	225.251	3.154	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)-c1c[nH]cc1C4)CC2	587211227	CSUQIPIRQSSBEX-UHFFFAOYSA-N	232.286	3.233	0	1	BGAF	
Cc1[nH]c2cccc(F)c2c1CCCN(C)C	587635245	ITRXHVLTHNQRGX-UHFFFAOYSA-N	234.318	3.110	0	1	BGAF	
CC1=C[C@@]23CC(C)(C)C[C@]2(O)[C@@H](C)CC[C@H]1O3	2356756524	KTUDICJUCCREHW-MXYBEHONSA-N	236.355	3.051	0	1	BGAF	
O=C1c2ccccc2[C@@]2(c3ccccc3)CCCN12	5649	XNYDFVOFZSYAQP-KRWDZBQOSA-N	249.313	3.180	0	1	BGAF	
NC[C@@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CC[C@@H]1C2	13795180	JGDHOGCSEVVPRV-XWUBHJNHSA-N	235.758	3.428	0	1	BGAF	
C[C@H](N)Cc1c[nH]c2ccc3ccccc3c12	29346201	DARASKZDQXPLRX-JTQLQIEISA-N	224.307	3.211	0	1	BGAF	
C[C@H]1CN(CC2=CC[C@H]3C[C@@H]2C3(C)C)C[C@H](C)O1	71928264	FRFGTRYRIUTDCX-JURCDPSOSA-N	249.398	3.088	0	1	BGAF	
Cc1ccc(Nc2nccc3[nH]nc(C)c23)cc1	147100437	GVKCDOYWFGQDAI-UHFFFAOYSA-N	238.294	3.318	0	1	BGAF	
Cc1cc2nc(COC(F)(F)F)[nH]c2cc1C	587126195	XCDVGJFFGDQGCH-UHFFFAOYSA-N	244.216	3.216	0	1	BGAF	
Cc1ccccc1[C@@H](O)CCCCCC(=O)O	2356684265	PQFXYLVJVQEKFY-ZDUSSCGKSA-N	236.311	3.064	0	1	BGAF	
C=C(c1ccccc1OCC(C)C)n1ccnc1	28766196	XBMRNKYMZBXMMY-UHFFFAOYSA-N	242.322	3.437	0	1	BGAF	
COc1ccc2c(c1CCC(C)C)OC(=O)CC2	29474483	XUNIACAMTHDBIC-UHFFFAOYSA-N	248.322	3.135	0	1	BGAF	
Cc1coc2cc(-c3ccccc3)oc(=O)c12	45368122	IFXQPNMBOROJSF-UHFFFAOYSA-N	226.231	3.361	0	1	BGAF	
Clc1ccc(-c2nc3cc[nH]cc-3n2)cc1	100650802	NTGSJZOMUDMWHY-UHFFFAOYSA-N	229.670	3.230	0	1	BGAF	
C[C@@H]1CCC(=O)[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@]4(C)C3	143256845	FADPMTSJYFTYLF-COPIHEOBSA-N	218.340	3.428	0	1	BGAF	
c1cc2ncc(Nc3ccc4cc[nH]c4n3)cc2[nH]1	144847821	ASURRMVIQMCAIK-UHFFFAOYSA-N	249.277	3.183	0	1	BGAF	
CC12CC34CNCC35CC1(C)C(C)(C5)C2(C)C4	169332592	CUEQOJAKFDRYGZ-UHFFFAOYSA-N	231.383	3.202	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@@]3(C)CCC[C@]2(O)O[C@@H]1C3	238755687	UTNQUNGFEKWBQT-ZQNQSHIBSA-N	238.371	3.336	0	1	BGAF	
C[C@H]1CCc2c(nc3cccc4c3c2CC4)C1=O	587214555	UOTFEOVSBVELER-VIFPVBQESA-N	237.302	3.098	0	1	BGAF	
NC12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2	100801969	MWXAHLMUYMJXTG-VRLRAXNCSA-N	227.351	3.236	0	1	BGAF	
CN1[C@H]2CC=C(Cc3ccccc3)[C@H]1CC2	101033040	LOGBVZNBJWXCIB-LSDHHAIUSA-N	213.324	3.022	0	1	BGAF	
O=C(C=Cc1ccccc1)NC=Cc1ccccc1	2356486071	DAZFHZLCFLDNPG-UHFFFAOYSA-N	249.313	3.487	0	1	BGAF	
C[C@@H]1CC[C@@]2(C1)C(C(=O)O)=CCC[C@H]2C	2356579254	WDDHMVJSZRYGPI-BREBYQMCSA-N	208.301	3.234	0	1	BGAF	
O=C1O/C(=C\Cc2ccccc2)c2ccccc21	96284709	BEZYRANPMJKSGR-PTNGSMBKSA-N	236.270	3.441	0	1	BGAF	
CCCC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403170	KNTDIIBEEOZHGL-HNNXBMFYSA-N	247.338	3.491	0	1	BGAF	
Cn1cnc2ccc(-c3ccnc4[nH]ccc34)cc21	1240318231	BUIIAZPSYOBAMY-UHFFFAOYSA-N	248.289	3.117	0	1	BGAF	
CC(=CCC[C@H](C)[C@H]1CCC(C)=C[C@H]1O)CO	2356546213	DFIUOPFZVPTMHK-RRFJBIMHSA-N	238.371	3.059	0	1	BGAF	
O=C1[C@H]2CCc3ccccc3[C@@H]2N1c1ccccc1	36387656	PGNRUNAHXOIWJY-HOTGVXAUSA-N	249.313	3.337	0	3	BGAF	
C/C=C/C=C/C=C\C=C\C(=O)N1C=CCCC1	13433807	JLBTYPJRECBOEI-XOSAMSDTSA-N	229.323	3.367	0	1	BGAF	endogenous,in-man
N[C@H]1[C@H]2CC[C@@H]1c1c2cccc1C(F)(F)F	26290186	HHIJEPNAHYLKPE-RNSXUZJQSA-N	227.229	3.007	0	1	BGAF	in-vivo
CC(C)[C@@]12CC[C@](C)(O1)[C@@H]1C(=O)C[C@@H](C)[C@H]1C2	104369947	CSLBUZGPLRECOR-MFHWUAJNSA-N	236.355	3.195	0	1	BGAF	in-man
CC(C)CCc1ccc2occ(O)c(=O)c2c1	1857632435	SVLBJCZIJQFNLF-UHFFFAOYSA-N	232.279	3.087	0	1	BGAF	
CC1=Nc2c3c(nc4ccccc24)CCC[C@H]3N1	12063	SJZMSTAIWFGFOK-GFCCVEGCSA-N	237.306	3.265	0	1	BGAF	
CCCCCC/C(Br)=C/C(=O)O	13379727	FSGDUVOQJQYMNR-FPLPWBNLSA-N	235.121	3.320	0	1	BGAF	
CC1=C[C@@H]2Cc3occc3C(C)(C)[C@H]2C[C@@H]1O	15222125	QKJRXNJQIGSRPJ-WXHSDQCUSA-N	232.323	3.057	0	1	BGAF	biogenic
CCCC(CCC)C1=N[C@@H]2C=CN=CC2=N1	72104225	KERJEVJVWARGMX-LLVKDONJSA-N	217.316	3.023	0	1	BGAF	
C[C@H]1C(=O)S[C@](C)(CC2CCCCC2)C1=O	169719252	VYICFALLNFALHB-NOZJJQNGSA-N	240.368	3.194	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2c(C)nccc2[nH]1	586893217	WYZJIBNYSOBMGZ-TVQRCGJNSA-N	215.300	3.170	0	1	BGAF	
CC(C)[C@H]1C(=O)C[C@@H](C)[C@]12CC[C@H](C)C(=O)C2	5103847	AGUISGUERLMHFF-IDTSFGKNSA-N	236.355	3.243	0	1	BGAF	in-man
Oc1ccc2c(c1)C[C@H](Cc1ccncc1)CC2	13736363	DELFRHFKJCAOCF-ZDUSSCGKSA-N	239.318	3.135	0	1	BGAF	
C=C(C(=O)OC)[C@@H]1C[C@@H]2C(=CC[C@@H]2C)[C@@]2(C)C[C@@H]12	14856982	JJZQEGRFUHHHTH-AEKDSLQOSA-N	246.350	3.344	0	1	BGAF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@]1(C)C=CC=C(C)[C@H]21	15208019	MKOHVWLOSUZFFH-BHPKHCPMSA-N	230.307	3.017	0	1	BGAF	biogenic
Cc1c(CCN)c2cc(F)cc3c2n1[C@@H](C)CC3	28007876	DKDJLMIWEAGOPW-VIFPVBQESA-N	246.329	3.097	0	1	BGAF	
CCNC12C[C@@H]3CC(C[C@H](C3)C1)C2(C)C	103026701	TXYBZYXQJDJFQC-PZFKGIAWSA-N	207.361	3.201	0	1	BGAF	
CC(C)[C@@H]1CC[C@@H](C)[C@]23CC(CO)=C[C@H]2[C@@H]13	103536294	FETRHPNVBWGLFA-BGNCJLHMSA-N	220.356	3.243	0	1	BGAF	biogenic,in-vitro
CCn1ccc(-c2cc3c4c(cccc4n2)CC3)n1	587210425	BBROQEQTBACYRE-UHFFFAOYSA-N	249.317	3.217	0	1	BGAF	
C[C@H]1C/C(=C\c2ccc3ncsc3c2)C(=O)O1	653720486	MTQKRKLSQROTRY-SMSHQHMSSA-N	245.303	3.015	0	1	BGAF	
C[n+]1ccc(-c2ccc(C(F)(F)F)cc2)cc1	29135419	IBNGUXUBSKJHBI-UHFFFAOYSA-N	238.232	3.197	0	1	BGAF	
CC(C)[C@@H]1OC(=O)[C@H]1CCCc1ccccc1	1857613194	ZNZRDTZGOYRHHC-KBPBESRZSA-N	232.323	3.207	0	1	BGAF	
Cc1cc(O)ccc1-c1noc2cc(O)ccc12	3819166	YDXZMUYZJVNAOG-UHFFFAOYSA-N	241.246	3.214	0	1	BGAF	
Cc1cc2c(cc1O)-c1ccc(O)c(C)c1CC2	13485077	NIXGLFXINIWEFF-UHFFFAOYSA-N	240.302	3.480	0	1	BGAF	biogenic
N[C@@H]1[C@H]2CC[C@@H]1Cc1cccc(C(F)(F)F)c12	26289461	FNNWVHKNBUNHFU-PTRXPTGYSA-N	241.256	3.082	0	1	BGAF	
CN[C@@]12CCCC[C@@H]1CCc1sccc12	29571622	VNNMGRAPRKCQFK-MFKMUULPSA-N	221.369	3.299	0	1	BGAF	
Cc1coc2cc(-c3ccc(O)cc3)oc(=O)c12	45366496	CHZVCFJLPQOGRN-UHFFFAOYSA-N	242.230	3.067	0	1	BGAF	
CCC[C@H]1CC[C@H](C(=O)CCC(=O)O)CC1	100939172	OFIALCUHOJXOKX-PHIMTYICSA-N	226.316	3.027	0	1	BGAF	
CCN1CC[C@@]2(c3cccc(OC)c3)CC[C@H]1C2	255973612	GDQLWUCGVWXZKT-HOCLYGCPSA-N	245.366	3.211	0	1	BGAF	
c1cncc(-c2cc3c4c(cccc4n2)CC3)c1	587212080	LAMGRCFJMCYXMW-UHFFFAOYSA-N	232.286	3.395	0	1	BGAF	
Cc1ccc2c(c1)[C@H]1Cc3ccccc3[C@]2(C)N1	13886748	FKJKAPBZCIRBDV-SJORKVTESA-N	235.330	3.459	0	1	BGAF	
CCCCC[C@@H]1C(=O)CC[C@H]1CCCC(=O)O	14619970	MQWNXLZVXAQZES-NEPJUHHUSA-N	240.343	3.417	0	1	BGAF	biogenic
CN1CC[C@]2(c3cccc(O)c3)CCCC[C@H]2C1	27636934	ZMMPBZMELZHMIT-HOCLYGCPSA-N	245.366	3.156	0	1	BGAF	
C[C@H]1CC[C@]2(O)[C@H]3CC[C@H](C[C@@H]13)C2(C)C	71789449	HRRXRUJXRFKNLU-ZUDIRPEPSA-N	208.345	3.220	0	1	BGAF	
Cc1noc(C)c1-c1cccc([C@@H](C)O)c1	72118104	FXWIWZBTSLATJR-SECBINFHSA-N	217.268	3.012	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)C[C@H](O)[C@@]3(C)CC[C@@]12O3	197874988	VLIUMVVQGMLOJG-BTFPBAQTSA-N	238.371	3.131	0	1	BGAF	endogenous,in-man
CC(=O)OCC1=C(C)CC[C@@H](C)C1(C)C	2356678174	VTGRGCQCXYJPDC-SNVBAGLBSA-N	210.317	3.322	0	1	BGAF	
CN1CCC[C@H]1C12CC3CC(CC(C3)C1)C2	26984369	SWORWWUKPHSOQK-IHXHZNKUSA-N	219.372	3.297	0	1	BGAF	
COc1ccc(-c2ccn3ccnc3c2)cc1	299864744	SAORIWLKXIUSLT-UHFFFAOYSA-N	224.263	3.010	0	1	BGAF	
CC(C)(C)c1[nH]c2cccc(F)c2c1N	587636130	RKUVLHQTELDJPP-UHFFFAOYSA-N	206.264	3.187	0	1	BGAF	
C[C@@H]1CCCc2c(C3CCCCC3)nc(=N)[nH]c21	1857617492	OFMZDKMAXIFZBN-SNVBAGLBSA-N	245.370	3.377	0	1	BGAF	
CCC=CCC=CCC=CCC(=O)OC	2356312580	GWMOXKKOTKUURW-UHFFFAOYSA-N	208.301	3.408	0	1	BGAF	
C[C@@H]1C=C2C=C[C@H](C)[C@H](C=CC(=O)O)[C@H]2CC1	2356410139	BYJSVNHVPRQKSV-IMIFBBOLSA-N	232.323	3.422	0	1	BGAF	
COc1c2cc(C)c(=O)oc2cc2occ(C)c12	13652063	IZRODWURZQEHIW-UHFFFAOYSA-N	244.246	3.165	0	1	BGAF	
N[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1	26569594	ZPTITOXHTKKBPT-GOEBONIOSA-N	223.319	3.092	0	1	BGAF	
c1ccc2c(c1)CCC[C@]21NCc2ccccc21	27637147	YQBMTJBKELFMDV-KRWDZBQOSA-N	235.330	3.370	0	1	BGAF	
c1ccc([C@H]2CCCN3CCCC[C@H]23)cc1	28645404	OUZYKKYJPBLWGM-HUUCEWRRSA-N	215.340	3.419	0	1	BGAF	in-vivo
CCCN(C(C)=O)c1ccccc1SC	1772652333	JGOGUVCTIPUMNT-UHFFFAOYSA-N	223.341	3.171	0	1	BGAF	
O=C1C[C@@H](c2ccsc2)Nc2ccccc21	1857649744	NFCYOCUGBVIMOY-LBPRGKRZSA-N	229.304	3.488	0	1	BGAF	
O=C(Nc1ccccc1)[C@@H]1C[C@H]2CC[C@@H]1C2	451826	OYBGVILRANZFNU-DMDPSCGWSA-N	215.296	3.061	0	1	BGAF	
CCCN(C)[C@H]1CCc2ccc3[nH]ccc3c2C1	13741731	WSLVLAZYRCUHNL-ZDUSSCGKSA-N	242.366	3.367	0	1	BGAF	
Cc1cc(O)cc2c1-c1ccc(O)c(C)c1OC2	28571574	UUVHCOKGCFXIER-UHFFFAOYSA-N	242.274	3.274	0	1	BGAF	in-vivo
C[C@@H]1CCCN1c1cnc2ccccc2c1	299869706	VFFBJGSNOJBQBY-LLVKDONJSA-N	212.296	3.224	0	1	BGAF	
C[C@@H]1C(=O)c2nc3cccc4c3c(c2[C@H]1C)CC4	587213109	GLORRRRYONCUSD-IUCAKERBSA-N	237.302	3.269	0	1	BGAF	
Oc1c(Br)oc2cc(F)ccc12	957650929	IPYZASGULFNXBL-UHFFFAOYSA-N	231.020	3.040	0	1	BGAF	
C[C@@H]1CNCCc2ccc(Cl)c(Cl)c21	6733457	VUYGFWKOVMRUIC-SSDOTTSWSA-N	230.138	3.243	0	1	BGAF	
Cc1sc(C)c2c1CCCc1ncn(C)c1-2	13537836	VKRDNTSVDLMMFA-UHFFFAOYSA-N	232.352	3.254	0	1	BGAF	
C[C@H]1N[C@@H]2Cc3ccccc3[C@H]1c1ccccc12	13814901	YLUIPTQLGSSAEQ-LQAWEQHXSA-N	235.330	3.407	0	1	BGAF	
CCC[C@H](C)Oc1cccc2ccc(N)nc12	28389142	KMEFXXMANWGJCR-JTQLQIEISA-N	230.311	3.384	0	1	BGAF	in-vivo
CC(C)c1nc2cc3c(cc2o1)[C@H]1CNC[C@@H]3C1	28526243	JHFTWXCZLKAESI-VHSXEESVSA-N	242.322	3.125	0	1	BGAF	
CC[C@@H](C)Nc1cc(-c2ccc(F)cc2)ncn1	82161529	FNXCNJFVYCPIDJ-SNVBAGLBSA-N	245.301	3.493	0	1	BGAF	
Oc1cc(Cl)ccc1Oc1cccc(F)n1	95578642	YRRJROMLDBWCJP-UHFFFAOYSA-N	239.633	3.372	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3	586887714	HMHRPSXMUWAZNY-RTHLEPHNSA-N	244.294	3.195	0	1	BGAF	
O=Cc1cccc(-c2ccc3[nH]ccc3c2)n1	1772606730	CUSKDCMMGCDSEK-UHFFFAOYSA-N	222.247	3.042	0	1	BGAF	
COc1ccc(/C=C/c2cc(C)no2)cc1	778033	KAFZFEPKDGPZLS-VMPITWQZSA-N	215.252	3.162	0	1	BGAF	
Cc1ccc2c(c1)[C@@]1(C)N[C@@H]2Cc2ccccc21	1494581	YIDRNQWKNMROHT-SJORKVTESA-N	235.330	3.459	0	1	BGAF	
Cc1cccc(-c2[nH]ncc2-c2ccccc2)n1	13526634	CIAZILKRKUMNLQ-UHFFFAOYSA-N	235.290	3.447	0	1	BGAF	
COc1cc(O)cc(-c2c(C)cccc2O)c1	14814628	FFSANOXDKUOWIS-UHFFFAOYSA-N	230.263	3.082	0	1	BGAF	biogenic
C/C=C(\C)c1ccc(CCCC)c(=O)o1	206992762	HPIMXIONNKAVCT-BJMVGYQFSA-N	206.285	3.406	0	1	BGAF	
CC1=CCC2=C(C)CCC3=C(C)C(=O)O[C@H]3[C@@H]12	15264842	FRPSUTLKKACGJQ-UONOGXRCSA-N	230.307	3.305	0	1	BGAF	biogenic
Cc1nc(Nc2ccccc2C)c2cc[nH]c2n1	27988191	LXACXWGRIFILFN-UHFFFAOYSA-N	238.294	3.318	0	1	BGAF	
Fc1ccc(/N=c2/ssnc2Cl)cc1	100475660	GMPLQDWACPFCAF-DHZHZOJOSA-N	246.719	3.230	0	1	BGAF	
CCCC/C=C\c1nc2c(C)nccc2[nH]1	587965331	JYWWEBCQJQBSSY-SREVYHEPSA-N	215.300	3.470	0	1	BGAF	
CC(Cl)=CC=CC=CC=CC=CC(=O)O	2356488054	XUUUHVRPNJADCG-UHFFFAOYSA-N	224.687	3.438	0	1	BGAF	
Cc1cc2c(cc1O)[C@]1(C)CCC(=O)C[C@@H]1CC2	2356586494	CBDLZRQBPRHLPM-BLLLJJGKSA-N	244.334	3.274	0	1	BGAF	
CCCC[C@H]1CC[C@@H](c2cccnc2)N1C	13738871	AJQBCKYPIGCEIM-KBPBESRZSA-N	218.344	3.407	0	1	BGAF	
CCN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2	27649501	KAGFQWDGGDLRJU-INWMFGNUSA-N	227.351	3.478	0	1	BGAF	
COc1ccc2c(CCN(C)C(C)C)c[nH]c2c1	27999597	LIQPALFOYIHQNJ-UHFFFAOYSA-N	246.354	3.059	0	1	BGAF	
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN	58468696	JSVCWJJGZXDXLC-RRMSZZPISA-N	249.357	3.488	0	1	BGAF	
Fc1ccc2c(c1)[C@@H]1CN[C@@H](C2)c2ccccc21	100104716	WSTMLPIHCJDBFV-CVEARBPZSA-N	239.293	3.158	0	1	BGAF	
O=Cc1ccccc1-c1ccc(Cl)nc1	144885039	PCKPBZUGMXEQKX-UHFFFAOYSA-N	217.655	3.215	0	1	BGAF	
O=C1c2c([nH]c3ccccc23)N=C2C=CC=C[C@@H]12	238751094	IWACMVDHGXUFAK-SNVBAGLBSA-N	234.258	3.179	0	1	BGAF	
c1ccc(Cc2cnc3cccc4c3c2CC4)nc1	587213517	WVTGEBJKPFUYEQ-UHFFFAOYSA-N	246.313	3.319	0	1	BGAF	
C1=C[C@H]2c3c(nc4cccc5c4c3CC5)[C@H]2C1	587216019	YJIGBUUQWRLOMN-MNOVXSKESA-N	219.287	3.474	0	1	BGAF	
CC(C)Cc1cc(N)c(-c2ccccc2)c(O)n1	653811092	HOPRCHIYWFJWAO-UHFFFAOYSA-N	242.322	3.235	0	1	BGAF	
c1nc(CCCCNC2CCCCCC2)c[nH]1	13685847	CGIBXEHRRLWSKY-UHFFFAOYSA-N	235.375	3.045	0	1	BGAF	
CCCCC[C@H](O)CCC[C@H](O)CCC	85531021	IRLMVYZJMDTAIH-OLZOCXBDSA-N	216.365	3.259	0	1	BGAF	biogenic,in-vitro
C=Cc1[nH]cc(OC)c2c3ccccc3nc1-2	101150279	KMXKUZAFSGQYGL-UHFFFAOYSA-N	224.263	3.319	0	1	BGAF	biogenic,in-vitro
CC1=CC=C2C(C)=CC[C@H]([C@H](C)C(=O)O)C=C12	2356667149	JGCYLNRSJNVUQP-RYUDHWBXSA-N	230.307	3.486	0	1	BGAF	
c1ccc2c(c1)O[C@]13CCCC[C@H]1[C@H]2NCC3	4477752	KCYFTAPCHLTSLC-QEJZJMRPSA-N	229.323	3.042	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1C=C[C@](C)(O)[C@H](O)C1	14859824	YRFJMOGROZTYPC-XQLPTFJDSA-N	238.371	3.057	0	1	BGAF	endogenous,in-man
c1ccc2c(c1)CN1CCCCCC1=N2	49925477	SQXQVLHHMMAJIL-UHFFFAOYSA-N	200.285	3.106	0	1	BGAF	
Cc1ccc2c3c([nH]c2c1)-c1n[nH]cc1CCC3	73197262	MVKMVOAMCRQTMR-UHFFFAOYSA-N	237.306	3.355	0	1	BGAF	
CC1(C)C(=O)CC[C@H]2C1=CC[C@@]1(C)[C@H]2CC[C@H]1O	195379217	MIZURHXEGUWOLO-JPYFCXBMSA-N	248.366	3.099	0	1	BGAF	
C[C@@H]1C/C(=C\c2ccc3ncsc3c2)C(=O)O1	653720483	MTQKRKLSQROTRY-LLIKBPFYSA-N	245.303	3.015	0	1	BGAF	
CCN1CCC=C(c2c[nH]c3ccccc23)C1	26751816	APDUYOJZKNJXRU-UHFFFAOYSA-N	226.323	3.277	0	1	BGAF	
Cc1ccc2c(c1)[C](N)C1=C(CCCC1)N2	2356820998	GRKPDFMXDFPADK-UHFFFAOYSA-N	213.304	3.087	0	1	BGAF	
CC1=CN(Cc2ccc(Cl)cc2)[C](N)C=C1	2356839968	YSHRQXVUMMCVOW-UHFFFAOYSA-N	233.722	3.064	0	1	BGAF	
C[C@@]1(CC[C@H]2C=CCC2)CCCNC1=S	6482146	WPQSANCPQIMIMF-AAEUAGOBSA-N	223.385	3.450	0	1	BGAF	
CC1=CC[C@@H]2C(=C1)C(C)=C[C@@H](O)[C@H]2C(C)C	13299377	NWUMKWIRTFTXBF-YUELXQCFSA-N	218.340	3.472	0	1	BGAF	biogenic
Oc1cncc(-c2ccc3cc(O)ccc3c2)c1	29055942	RTRRNSMMHNFJIV-UHFFFAOYSA-N	237.258	3.313	0	1	BGAF	in-vivo
CC(C)[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(N(C)C)C3	103027303	XTXGMPJBMMXLQQ-NLXSIGEOSA-N	221.388	3.399	0	1	BGAF	
COc1cc(C)cc(CCc2cccc(O)c2)c1	238772117	POBFSRZAWPJEEN-UHFFFAOYSA-N	242.318	3.494	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1	586890906	PPDDGKWIRUBKTQ-XPTSAGLGSA-N	240.310	3.343	0	1	BGAF	
CCCC/C=C/c1nc2ccc(C(=O)O)cc2[nH]1	587964895	DXEOGFLEVOGVLE-AATRIKPKSA-N	244.294	3.465	0	1	BGAF	
CCCC/C=C\c1nc2ccc(CO)cc2[nH]1	587965543	MRUODWYVJQJNAH-WAYWQWQTSA-N	230.311	3.259	0	1	BGAF	
Cc1cccc(-c2c[nH]c(-c3cccnc3)n2)c1	13553746	FMSDHSGTVAIDQQ-UHFFFAOYSA-N	235.290	3.447	0	1	BGAF	
CCCC(=O)OCC[C@H](CCC)SC	14589064	CPZRKTMCYSRJPH-JTQLQIEISA-N	218.362	3.252	0	1	BGAF	endogenous,in-man
CC(C)CC[C@H]1OC(=O)c2ccccc21	28957500	NXTSGCWTACCXAZ-GFCCVEGCSA-N	204.269	3.334	0	1	BGAF	
CC1=CC[C@H]2[C@@H]3[C@H]1[C@@]2(C)C[C@H](O)[C@@H]3C(C)C	100781024	BVCNHEVITXGCEP-LZXPERKUSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
CC(C)(Cl)c1nc2ccc(Cl)nc2[nH]1	587008092	HCSWRXOQIPYGFO-UHFFFAOYSA-N	230.098	3.085	0	1	BGAF	
CCC=CC[C@@H](CC)C1=CCN(C)C=C1C(=O)O	2356833581	KHTGHMBACDEAMM-GFCCVEGCSA-N	249.354	3.209	0	1	BGAF	
COC(=O)CCc1ccc(O)c(CC=C(C)C)c1	5159010	VFIMEMJFCJMRSC-UHFFFAOYSA-N	248.322	3.007	0	1	BGAF	biogenic
c1cc2c(ncc3cnc(C4CCCCC4)n32)[nH]1	95583856	YWPZNZDBYDEVCY-UHFFFAOYSA-N	240.310	3.258	0	1	BGAF	
F[C@@H]1C2=C(SC1(F)F)[C@@H]1CC[C@@H]2C1	101159606	BNWKOGOFYDNKHF-OKMMGKLZSA-N	206.232	3.348	0	1	BGAF	
NC12C[C@@H]3C[C@@H](C1)CC(C1CCCCC1)(C3)O2	101669303	AOLXEMDNMKBYSB-HGWMRPEMSA-N	235.371	3.201	0	1	BGAF	
Fc1c(Cl)cc2nc(CC3CC3)[nH]c2c1F	587960127	WHXDRXXZVJDNKV-UHFFFAOYSA-N	242.656	3.447	0	1	BGAF	
COc1cc2nc(CC3CC3)[nH]c2cc1Cl	587960335	ZTROYRWQYBKYIX-UHFFFAOYSA-N	236.702	3.177	0	1	BGAF	
C[C@@H]1Cc2ccccc2-c2sc(C(N)=O)cc21	653700785	IWQXLXJTCANGKX-MRVPVSSYSA-N	243.331	3.174	0	1	BGAF	
CC1=CN2[CH]C=CC=C2N1Cc1ccc(F)cc1	2356821874	KZJOUKWRDNBYEX-UHFFFAOYSA-N	241.289	3.378	0	1	BGAF	
CCC[C@H]1OC[C@]2(CO)[C@@H](C)[C@H]1C(C)=C[C@H]2C	4094051	BCAUUCDDNVFSTF-KHMAMNHCSA-N	238.371	3.012	0	1	BGAF	
Cc1noc(O)c1Cc1ccc2ccccc2c1	27707191	ABSUYFIEYRZPHR-UHFFFAOYSA-N	239.274	3.433	0	1	BGAF	
C[C@@H]1[C@H]2CCC[C@@]1(c1cccc(O)c1)[C@H](C)N2C	256069428	CFFHIFVCBLNHRE-KOZAUXTDSA-N	245.366	3.153	0	1	BGAF	
CC(C)OCc1cc2c3c(cccc3n1)CC2	587211728	KDBPHCIXBMDYRG-UHFFFAOYSA-N	227.307	3.258	0	1	BGAF	
CN1CCCC[C@H]1CCC(=O)c1cccs1	13554221	JOQXBWQUNCZTSR-NSHDSACASA-N	237.368	3.195	0	1	BGAF	
CCn1c(-c2cncs2)nc2ccccc21	51010841	KQHBODNWMVKCIU-UHFFFAOYSA-N	229.308	3.180	0	1	BGAF	
S=C(S)O[C@H]1C[C@@H]2C[C@H]1[C@@H]1CCC[C@@H]21	64539684	PWLXJBSAUKKGCM-CIQUZCHMSA-N	228.382	3.042	0	1	BGAF	
Cc1ccc(-c2cn(Cc3ccccc3)nn2)cc1	72160222	AMPMCXKXHOAJKA-UHFFFAOYSA-N	249.317	3.302	0	1	BGAF	
c1ccc2c(c1)O[C@]13CCCC[C@@H]1[C@@H]2NCC3	101750504	KCYFTAPCHLTSLC-YUELXQCFSA-N	229.323	3.042	0	1	BGAF	
CC(C)N1[C@@H]2CCCC[C@H]2N(C(C)C)[PH]1=O	150635231	KMBDBWXLGJVLBP-VXGBXAGGSA-N	244.319	3.122	0	1	BGAF	
CC(C)C[C@H](O)c1nc2ccc(Cl)cc2[nH]1	586901456	PYZSUUJSMARWJK-NSHDSACASA-N	238.718	3.296	0	1	BGAF	
CC(C)(Cl)c1nc2cc(Cl)cnc2[nH]1	587008113	HORGJDVEYRETFW-UHFFFAOYSA-N	230.098	3.085	0	1	BGAF	
CC(C)[C@H]1OC(=O)[C@H]1CCCc1ccccc1	1857613196	ZNZRDTZGOYRHHC-UONOGXRCSA-N	232.323	3.207	0	1	BGAF	
c1nc(CCCOCCCC2CCCC2)c[nH]1	13560974	LWRVBTSTJNUTOC-UHFFFAOYSA-N	236.359	3.329	0	1	BGAF	
Oc1cccc(-c2cnc3cc(O)ccc3c2)c1	29055853	DQXYHOHBSRRAIV-UHFFFAOYSA-N	237.258	3.313	0	1	BGAF	in-vivo
CC(C)=CCC[C@@H](C)[C@H]1CC=C(C)[C@@H](O)[C@@H]1O	33951451	SDAWXTDBEYZMMX-NMFUWQPSSA-N	238.371	3.057	0	1	BGAF	
CCOC(=O)/C=C\Oc1ccc(C(C)(C)C)cc1	49802561	JRIMSHKXNHDDQO-KHPPLWFESA-N	248.322	3.440	0	1	BGAF	
CC[C@]1(N)C[C@@H]1c1ccc(C(F)(F)F)cc1	144419195	VJBZUQSLIWXRQB-MNOVXSKESA-N	229.245	3.300	0	1	BGAF	
CC(=O)CC/C=C(\C)C/C=C/C(C)(C)O	205577108	KBCMISIPASRHGQ-JMQWPVDRSA-N	210.317	3.019	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CC(C)C)O2	587403207	KWXOPUWEVOBDNC-OAHLLOKOSA-N	247.338	3.347	0	1	BGAF	
COc1cc(C=O)c2[nH]c3ccc(C)cc3c2c1	14489330	ILZFAWHFXKCNEY-UHFFFAOYSA-N	239.274	3.451	0	1	BGAF	biogenic
CC1=COC=C[C@@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	14710498	DMFSWNMSKDPBCG-GUTXKFCHSA-N	246.306	3.092	0	1	BGAF	
CCCN1CCC[C@H]2c3ccc(O)cc3CC[C@@H]21	26275280	BGWNOOWFGJBORE-HOTGVXAUSA-N	245.366	3.296	0	1	BGAF	
N[C@H]1[C@H]2CC[C@@H]1c1cccc(C(F)(F)F)c1C2	26294528	GVBOIVFALSGRQZ-VMAXQDLPSA-N	241.256	3.082	0	1	BGAF	
CC(C)/C=C1/C[C@@H](c2ccccc2)OC1=O	40980890	NWLDMBZRSYWHGK-FSBNRTBOSA-N	216.280	3.257	0	1	BGAF	
CC(C)(C)c1cccc(NCCc2c[nH]cn2)c1	49088980	LRIVTYQQFCXAFC-UHFFFAOYSA-N	243.354	3.362	0	1	BGAF	in-vivo
O=NCc1ccc(-c2ccc(O)cc2)cc1F	169721279	WYUXZEOYVNCHMC-UHFFFAOYSA-N	231.226	3.465	0	1	BGAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@H](O)[C@H]31	257503334	OKGYYQFRSOUSFJ-GHRCFYLDSA-N	222.372	3.466	0	1	BGAF	biogenic
Cc1c(-c2cnccn2)[nH]c2cc(F)ccc12	587636754	HJPVYCYAFLVWCD-UHFFFAOYSA-N	227.242	3.072	0	1	BGAF	
c1ccc(N2[C@H]3[C@H]4C[C@@H]([C@@H]5CCC[C@@H]45)[C@H]32)cc1	263591501	YFWARTKNDZZMCY-GKLXLLAYSA-N	225.335	3.310	0	3	BGAF	
CCCN(CCC)[C@H]1CCc2ncccc2C1	13742648	YEYNJASJMPEAEX-AWEZNQCLSA-N	232.371	3.061	0	1	BGAF	
CN[C@]12CCCC[C@H]1CSc1ccccc12	13831994	YRHAAMNUSVMHDY-SMDDNHRTSA-N	233.380	3.397	0	1	BGAF	
CC(C)[C@@H]1CCC2=CC(=O)C[C@](C)(O)[C@@]2(C)C1	15200775	OJDVMTKOUGIONZ-UGFHNGPFSA-N	236.355	3.099	0	1	BGAF	biogenic
Cc1c(-c2cncn2C)[nH]c2cccc(F)c12	587635432	HVKYCGGRCURPAF-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
NCCCC1c2ccccc2Cc2ccccc21	27729193	AUTKMGMMFJXIDV-UHFFFAOYSA-N	237.346	3.462	0	1	BGAF	in-vivo
CCCCCOc1cccc2ccc(N)nc12	28390549	CTMPUINXCIZFAU-UHFFFAOYSA-N	230.311	3.386	0	1	BGAF	in-vivo
CC(C)Oc1c(C(C)C)c(=O)[nH]c2ccccc12	49109967	SQJQJZCVDBEQSZ-UHFFFAOYSA-N	245.322	3.439	0	1	BGAF	
CC(=O)[C@H]1CC[C@H](C)c2ccc(C)nc2C1	169614539	DIXCTRADYJYDAQ-CABZTGNLSA-N	217.312	3.035	0	1	BGAF	
Cc1[nH]c2cc(Cl)c(F)cc2c1CN(C)C	587629990	CMFKPGPDEZPQOC-UHFFFAOYSA-N	240.709	3.330	0	1	BGAF	
CCCCN1CC[C@@H]2c3ccccc3C[C@H]2C1	3805467	FLQWELWUFIHCPK-HOCLYGCPSA-N	229.367	3.448	0	1	BGAF	
CCSc1ncc(C[C@H](C)CC)nc1C	26667834	NSUWJTNHTHHKPF-SECBINFHSA-N	224.373	3.486	0	1	BGAF	
c1nc([C@H]2C[C@@H]2CCNCC2CCCCC2)c[nH]1	35033831	NESASFDNMLPZIR-KBPBESRZSA-N	247.386	3.073	0	1	BGAF	
Cc1ccc(-c2cnc(S)s2)cc1	1772613493	WBXHFTLPWPTWOV-UHFFFAOYSA-N	207.323	3.407	0	1	BGAF	
COc1cc2c(cc1[C@H](C)CO)[C@@H](C)CCC2	2356689057	WXZZUVOODPQACK-WDEREUQCSA-N	234.339	3.231	0	1	BGAF	
Cc1cccc2c1[S@](=O)c1ccccc1O2	13779740	LUEZHHVAYCCXKH-INIZCTEOSA-N	230.288	3.267	0	1	BGAF	
CC(C)=CCC[C@]1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]2O	14859996	YXKYEDPZIRLAKN-QPSCCSFWSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
CC1=C2C(=C(C)CC[C@@H]3[C@@H](C)C(=O)O[C@@H]23)C=C1	15264822	RXFYVUSLXOCLFO-MPKXVKKWSA-N	230.307	3.161	0	1	BGAF	biogenic
CC(C)C[C@@]1(C)CC(=O)c2ccc(O)cc2O1	27552059	LCMCTWRBENGILA-AWEZNQCLSA-N	234.295	3.162	0	1	BGAF	
CCCCc1cc2ccccc2c(=O)o1	40822882	YBZYVRHAWKKYNO-UHFFFAOYSA-N	202.253	3.136	0	1	BGAF	
Cc1cc(N2CCCC2)nc2ccc(F)cc12	70463113	UYEGSBAJNAUSOQ-UHFFFAOYSA-N	230.286	3.283	0	1	BGAF	
C=Cc1ccc(OCC(=O)O)c(Cl)c1Cl	169344884	IJULYAGUPPNAQT-UHFFFAOYSA-N	247.077	3.100	0	1	BGAF	
C1=CN2C[C@H](c3cc4ccccc4o3)N=C2S1	197079548	PVAHZDKTBKKNHV-SNVBAGLBSA-N	242.303	3.364	0	1	BGAF	
CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC[C@]3(C)O	206145044	XEAXSPJWIVZRTF-UQOMUDLDSA-N	238.371	3.275	0	1	BGAF	
CC[C@@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1	587955679	KOWUORGBBIMICE-ZCFIWIBFSA-N	243.232	3.490	0	1	BGAF	
CC=C(C)C=C(C)c1cc(OC)c(C)c(=O)o1	2356465428	SHJHZIUPBJKXFY-UHFFFAOYSA-N	234.295	3.326	0	1	BGAF	
O=C(CSCCc1ccccc1)C(F)(F)F	13859435	UJAGOKUXPHIFEB-UHFFFAOYSA-N	248.269	3.094	0	1	BGAF	in-vitro
CC1(C)Cc2c(ccc3ccccc23)C=[N+]1[O-]	27554723	UASLHJMXEPSJGA-UHFFFAOYSA-N	225.291	3.104	0	1	BGAF	
N[C@H]1C[C@H]1c1cc(F)ccc1-c1ccccc1	89470026	OADWWZWZGPNUQT-GJZGRUSLSA-N	227.282	3.307	0	1	BGAF	
CC(C)(C)/C(O)=C/c1nc2ccccc2nc1O	101636320	NJRLTELYDXFPPE-WQLSENKSSA-N	244.294	3.280	0	1	BGAF	
O[C@H](Cc1ccccc1)c1nc2ccccc2o1	103289149	HJVDFQQZXWNZQV-CYBMUJFWSA-N	239.274	3.104	0	1	BGAF	
CC1=C/C(=C/[C@H](C)c2ccc(C)c(O)c2)OC1=O	200698783	LYKZQZBBOGVEJA-MBGMWABPSA-N	244.290	3.191	0	1	BGAF	
CC(C)O[C@H]1Cc2c1nc1cccc3c1c2CC3	587213804	LLAZYLKGWVEDNW-AWEZNQCLSA-N	239.318	3.356	0	1	BGAF	
CC(C)[C@@H]1C[C@@]2(C)[C@H](CC1=O)[C@@H](O)CC[C@H]2C	2356808170	YNPVPSSWCJNYOA-GEJOOGBSSA-N	238.371	3.035	0	1	BGAF	
COC(=O)c1ccc(/C=C/c2ccccc2)o1	14651787	AOZSTVUUWCWVDE-BQYQJAHWSA-N	228.247	3.237	0	1	BGAF	
C=C[C@](C)(O)C[C@@H]1C=C(C)C[C@@H](C=C(C)C)O1	15160392	NNCJOVBGLCRHAN-ILXRZTDVSA-N	236.355	3.384	0	1	BGAF	biogenic
O=C1C[C@H]2CCC[C@@](Oc3ccccc3)(C1)C2	29411191	JWXBVUDFFBNKCE-DOMZBBRYSA-N	230.307	3.357	0	1	BGAF	
C[C@@H]1CO[C@@]2(O)CCC3=CCC[C@H](C)[C@@]3(C)[C@@H]12	140270694	RJFJUZTWJSYCPG-BJBXXJATSA-N	236.355	3.114	0	1	BGAF	
Cc1coc2c1C[C@@]1(C)[C@H](C2)C(=O)CC[C@H]1C	257482482	MHEQQQWHNMVBFL-IXPVHAAZSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@@H](O)[C@H]31	257503337	OKGYYQFRSOUSFJ-XZBVAUNFSA-N	222.372	3.466	0	1	BGAF	biogenic
CC1=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]2C(O)=C1	2356756798	PPFMQQOEBRCEBH-XBFCOCLRSA-N	248.322	3.292	0	1	BGAF	
CC=CC=C[C@H]1Cc2cc(O)c(C)cc2CO1	2356824008	GRASXUWVZNVMSS-AWEZNQCLSA-N	230.307	3.274	0	1	BGAF	
CC1=CC=C[CH]N1Cc1ccc(F)cc1	2356853998	BIXHSKMSGCQGMB-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	12153084	AYXPYQRXGNDJFU-PVZBEVCSSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
C[C@H]1C=CC2=C[C@H](C)CC[C@@H]2[C@@]12CCC(=O)O2	84724044	XIZPBKMZTBITPA-REJLFOLJSA-N	232.323	3.241	0	1	BGAF	
CCCC[C@@H]1CN(C2CCCCC2)CC[C@@H]1N	96318671	MOCHGBZSRBVYPK-HIFRSBDPSA-N	238.419	3.159	0	1	BGAF	
CCCC/C=C/c1nc2nc(Cl)c[nH]c-2n1	587964877	DPVQKDSERANTRZ-AATRIKPKSA-N	236.706	3.161	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C)CCC(=O)[C@]3(C)C[C@@H]2OC1	2356666241	JQEOEYITCFFMNV-BXKLLYQPSA-N	234.339	3.117	0	1	BGAF	
Cc1cc(C)c2c3ccccc3n(C)c2n1	712005	NFPFVTXDTFBTAT-UHFFFAOYSA-N	210.280	3.343	0	1	BGAF	
Fc1ccc(-c2c[nH]nc2-c2ccccn2)cc1	12365461	MIBKGMRDJGUXKQ-UHFFFAOYSA-N	239.253	3.278	0	1	BGAF	
Fc1ccc(C2=NO[C@H]3CCCC[C@@H]23)cc1	95574331	LFJGEUMJTYAGAH-NEPJUHHUSA-N	219.259	3.119	0	1	BGAF	
FC(F)CCOc1ccc2[nH]ccc2c1	1857587996	QNBKRCWVOUFEAW-UHFFFAOYSA-N	211.211	3.202	0	1	BGAF	
CC1=CC(=O)C[C@H](C)[C@]12CC[C@@H](C(C)(C)O)C2	14509779	SOAQZZHFSCGPCD-ZOWXZIJZSA-N	236.355	3.099	0	1	BGAF	biogenic
CCCN1CCC[C@H]2C[C@@H]1c1ccc(O)cc12	27524205	IGSXTRMNXITSHG-XHDPSFHLSA-N	231.339	3.426	0	1	BGAF	
CN1Cc2ccccc2[C@@]12CCc1ccccc12	27637130	IUQGSPLBQZMWMI-KRWDZBQOSA-N	235.330	3.322	0	1	BGAF	
O=[S@@](O)c1ccc2cc(Cl)ccc2c1	66259151	VDBZTWMYZZZXMT-UHFFFAOYSA-N	226.684	3.074	0	1	BGAF	
Cc1cccc2c3c([nH]c12)-c1n[nH]cc1CCC3	82155334	RCNZWKUNSQBQTN-UHFFFAOYSA-N	237.306	3.355	0	1	BGAF	
CNC(=O)Oc1ccccc1SCC(C)C	84758730	MYKBBBLLKYQTKF-UHFFFAOYSA-N	239.340	3.153	0	1	BGAF	
C[C@]12CC[C@H](O)C[C@]1(CN=O)CC=C1CC[C@@H]12	169715159	XZYGJOMRMGIKAG-FQUUOJAGSA-N	235.327	3.030	0	1	BGAF	
CCCCCn1c(N)nc2c(CC)cccc21	299831012	NGCIYBMHFRAESR-UHFFFAOYSA-N	231.343	3.371	0	1	BGAF	
CC[C@H]1OCCC[C@@H]1c1nc2ccc(F)cc2[nH]1	586908718	CXJQAMHWKBJCTA-GXFFZTMASA-N	248.301	3.375	0	1	BGAF	
COc1cc2nc(C(C)(C)Cl)[nH]c2cc1C	587007908	IMYBHDNBHIUTJY-UHFFFAOYSA-N	238.718	3.354	0	1	BGAF	
CC(C)Oc1ccc2nc([C@@H](N)C(C)C)[nH]c2c1	587259615	XSKMGPYEVVYXCN-ZDUSSCGKSA-N	247.342	3.006	0	1	BGAF	
CC(C)CCOC(=O)C=Cc1ccccc1	1857742865	JFHCDEYLWGVZMX-UHFFFAOYSA-N	218.296	3.289	0	1	BGAF	
CN1CC[C@H](C2C3CC4CC(C3)CC2C4)C1	26265904	DVKCUCTVNFOTIM-FZLLLIJMSA-N	219.372	3.010	0	1	BGAF	
CC[C@@H]1OC(=O)c2c1ccc1ccoc21	13406701	NPJOJMUVGGLVJT-VIFPVBQESA-N	202.209	3.054	0	1	BGAF	biogenic
Cn1ccc(=S)n2nc(-c3ccccc3)cc12	27716381	YAWNFUNWDDEASY-UHFFFAOYSA-N	241.319	3.069	0	1	BGAF	
C[C@@H]1CC[C@@](C)(O)[C@@H]2CC[C@@H]3[C@H]([C@@H]12)C3(C)C	34146345	HVXGCOMWCLIDAO-QUMMREBQSA-N	222.372	3.466	0	1	BGAF	
C[C@@H]1[C@@H]2CCC[C@]1(c1cccc(O)c1)CCN2C	100639565	JBSRPCWYMOJXAM-KCXAZCMYSA-N	245.366	3.154	0	1	BGAF	
C[C@@H]1CCCC2=C[C@H](O)[C@H]3[C@@H](C3(C)C)[C@]21C	102945265	YFLAOARQOANJAY-WVFFKWQOSA-N	220.356	3.386	0	1	BGAF	
CCCC[C@@H]1CN(C2CCCCC2)CC[C@H]1N	253655886	MOCHGBZSRBVYPK-UKRRQHHQSA-N	238.419	3.159	0	1	BGAF	
CC1=C[C@H](O)[C@H](C(C)C)C[C@H](O)C(C)=CCC1	2356754245	PKOQIYPPSKQSIQ-KKUMJFAQSA-N	238.371	3.057	0	1	BGAF	
CCCSC[C@H](Cc1ccccc1)C(=O)O	27654147	WGMOOMCBUBACAA-LBPRGKRZSA-N	238.352	3.073	0	1	BGAF	
Oc1ccc(/C=C\c2ccc3c(c2)OCO3)cc1	103193081	UXDWVZVDCJQJHJ-UPHRSURJSA-N	240.258	3.291	0	1	BGAF	
CC1=CCC[C@]2(C)[C@@H]1C(=O)O[C@H]2c1ccoc1	238783131	CKJJQJLXFWVISP-SGMGOOAPSA-N	232.279	3.240	0	1	BGAF	
COc1ccc2c(c1)[C@H]([C@@H]1C[C@@H]1C)N[C@H]1CC[C@@H]21	962998340	VLSRIMXTCHOTAM-ADIQIFPJSA-N	243.350	3.242	0	1	BGAF	
COc1cc(O)cc(C=COc2ccccc2)c1	2356468547	HLVOANGXKWIPPP-UHFFFAOYSA-N	242.274	3.451	0	1	BGAF	
CC(C)[C@H](O)CCC=CC=CC(C)(C)[C@@H](C)O	2356843648	NNWCXCVXEGPTMN-ZIAGYGMSSA-N	240.387	3.303	0	1	BGAF	
Fc1ccc2c(c1)[C@@H]1CN[C@H](C2)c2ccccc21	13831938	WSTMLPIHCJDBFV-HZPDHXFCSA-N	239.293	3.158	0	1	BGAF	
CCCC[C@@H](O)CCCCCCCCO	14771644	FANTVKFLNSQKOX-CYBMUJFWSA-N	216.365	3.261	0	1	BGAF	biogenic
C[C@@H]1c2ccccc2CCN1c1ccncc1	13489834	WTYOQDKELIYOOL-GFCCVEGCSA-N	224.307	3.205	0	1	BGAF	
OC[C@@]12CC=C[C@@H](C1)[C@H](c1ccc(O)cc1)CC2	13490127	RTWQEZPGFVTNAW-CWRNSKLLSA-N	244.334	3.215	0	1	BGAF	
CN[C@]12CC=CC[C@@H]1CCc1ccc(OC)cc12	26156150	NYRRKAKFWGZUEO-CZUORRHYSA-N	243.350	3.022	0	1	BGAF	
C[C@]1(c2cccc(O)c2)CCCN(CC2CC2)C1	27564201	BFJGDYASFRFDRK-INIZCTEOSA-N	245.366	3.156	0	1	BGAF	
CC(C)=CCOc1cccc2ccc(N)nc12	28384061	MWBWYWCXMMNJOD-UHFFFAOYSA-N	228.295	3.162	0	1	BGAF	
COc1ccccc1-c1ccnc2[nH]ccc12	114720356	GWOATTOZCMPVDH-UHFFFAOYSA-N	224.263	3.239	0	1	BGAF	
C[C@H]1CCc2[nH]c3cc(Cl)ccc3c(=N)c2C1	1772601525	XXICGPBLLVAPOI-QMMMGPOBSA-N	246.741	3.426	0	1	BGAF	
CCC[C@@H]([C@@H](O)c1ccc(C)cc1)N1CCCC1	13682223	NJZIWQLWRVISOP-HOTGVXAUSA-N	247.382	3.293	0	1	BGAF	
Cc1cc2c(cc1O)ncn2-c1ccccc1	13798325	UIFBZRWGJYZWIJ-UHFFFAOYSA-N	224.263	3.040	0	1	BGAF	
CCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1	59997371	WIRQQWMLTKWILR-JTQLQIEISA-N	244.290	3.427	0	1	BGAF	
C[C@H]1[C@@H]2[C@@H]3CC[C@@]4(C=CC[C@H](C)[C@@]24C)O[C@H]1O3	100091459	GTARSQGFXOXFHP-DJIVWJMOSA-N	234.339	3.129	0	1	BGAF	in-vitro
C[C@@H]1CCc2cc3c(O)cccc3c(O)c2C1=O	238777534	HUUKUVMIUNJFIH-MRVPVSSYSA-N	242.274	3.016	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@](C)(CC)CC2=O	587479676	FGVOICXSMFCFRO-OAHLLOKOSA-N	248.322	3.479	0	1	BGAF	
CCCCC[C@H](C=CCCCC(=O)O)OC	2356572401	ZYUVYYBWWSSMTQ-GFCCVEGCSA-N	228.332	3.393	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]1[C@H]1C[C@@H](O)[C@@](C)(C1)C2(C)C	2356692622	FJUSPHRLRVCESP-AOWZIMASSA-N	222.372	3.466	0	1	BGAF	
Cc1c2ccoc2c(C[C@H](C)N)c2occc12	13444179	JGSDPWBXHNULLD-QMMMGPOBSA-N	229.279	3.377	0	1	BGAF	
C/C=C/C=C\C=C/C=C\C(=O)N1C=CCCC1	45097236	JLBTYPJRECBOEI-SSVHNWNQSA-N	229.323	3.367	0	1	BGAF	
C[C@]12C[C@@H]3C=C[C@@H]1C[C@H]1CC[C@H]1[C@@](O)(C3)C2	85547666	GBAVVUAZBDNEJJ-CMBQYIQPSA-N	218.340	3.140	0	1	BGAF	biogenic,in-vitro
COc1ccc(C(=O)O)c2c1C(C)(C)CCC2	103182009	DFBGLBXWFXEOHB-UHFFFAOYSA-N	234.295	3.007	0	1	BGAF	
CCC[C@H](CCn1cncn1)c1ccccc1	103214246	SZFARRKCEJVIPE-CYBMUJFWSA-N	229.327	3.252	0	1	BGAF	
Cc1cccc(C)c1NC1=N[C@@H](C)CC1	143190075	VYFHOFJZYWCIPF-NSHDSACASA-N	202.301	3.296	0	1	BGAF	
Cc1cc2c(cc1Cl)[C@H]1CNC[C@H]1[C@H]2C	36270550	LKSWCKLOGNAERN-KPXOXKRLSA-N	221.731	3.069	0	1	BGAF	
c1ccc2c(c1)CN1CC[C@@H]3CCC[C@@H]2[C@@H]31	38190837	CDIONMUWHFYLPO-TUKIKUTGSA-N	213.324	3.158	0	1	BGAF	in-vitro
c1ccc2c(c1)CC[C@@]13CCCC[C@]21NCC3	101240014	HEDMURMOOPPMTB-CVEARBPZSA-N	227.351	3.382	0	1	BGAF	
CN1C[C@H]2c3ccccc3[C@H]1[C@@H]1CCC[C@H]21	253669643	SYUCGKZXQQTLMH-ATGSNQNLSA-N	213.324	3.187	0	1	BGAF	
CCOC1=Cc2nc3cccc4c3c(c2C1)CC4	587213589	JMSAXSDWAQIVJM-UHFFFAOYSA-N	237.302	3.267	0	1	BGAF	
CC1=C[C@@H]2C3=C(C)C(=O)OC3=C[C@H](C)[C@H]2CC1	2356288043	URQSHIUUUUGZPU-WCQGTBRESA-N	230.307	3.366	0	1	BGAF	
Cc1ccc2c3c1C(=O)OC[C@]3(C)CC2(C)C	13378866	CAMCSBCRRUTMEK-HNNXBMFYSA-N	230.307	3.104	0	1	BGAF	biogenic
O=C(O)CCCCc1ccc2ccccc2c1O	27195989	RWFZKVHMFCNDEQ-UHFFFAOYSA-N	244.290	3.343	0	1	BGAF	
C=C(c1cc(Cl)ccc1OC)n1ccnc1	28763521	LWBJLVRIXOMHDF-UHFFFAOYSA-N	234.686	3.064	0	1	BGAF	
Clc1cccc(NN2C=N[C@H]3CCCC[C@@H]32)c1	29323569	UYLVNEVDYCJBFI-STQMWFEESA-N	249.745	3.322	0	1	BGAF	
Oc1cccc(-c2nnc(-c3ccccc3)o2)c1	30823113	ZJCVCZDDXKLQNP-UHFFFAOYSA-N	238.246	3.109	0	1	BGAF	
CC(C)c1ccc2c(c1)C[C@H]1CNC[C@H]2C1	101027204	WOACWYIUZSUINZ-BXUZGUMPSA-N	215.340	3.059	0	1	BGAF	
[18F]C[C@]12N[C@@H](Cc3ccccc31)c1ccccc12	102030269	LGHXZBIPTSRPJL-ZBWJFVAFSA-N	238.296	3.100	0	1	BGAF	
NCc1ccc(-c2cnccc2-c2ccco2)o1	1857537957	CDATXWVKQQCREW-UHFFFAOYSA-N	240.262	3.060	0	1	BGAF	
CC=CCCCCC(=O)[C@H](C)C(=O)n1cccc1	2356421503	MFOAMJSIPLCVDH-ZDUSSCGKSA-N	247.338	3.470	0	1	BGAF	
CC[C@H](C)C[C@@H](C)c1cc(O)c(C)c(=O)o1	2356868959	XGKUCWRDDUBLFW-DTWKUNHWSA-N	224.300	3.194	0	1	BGAF	
CCCCOc1ccc(-c2ccn(C)n2)cc1	13530227	VMKNDIQDOBATQU-UHFFFAOYSA-N	230.311	3.266	0	1	BGAF	
CCCN(C)[C@H]1CCc2ccc(O)cc2C1(C)C	13583891	OFCVIMFAFNDMAR-HNNXBMFYSA-N	247.382	3.326	0	1	BGAF	
C=C(c1ccc(Cl)cc1OC)n1ccnc1	28765113	XDCAHIRQFZBTOH-UHFFFAOYSA-N	234.686	3.064	0	1	BGAF	
CCCC[C@H]1OC(=O)c2cc(F)ccc21	49784622	NDKYYOSDIRGDMQ-LLVKDONJSA-N	208.232	3.227	0	1	BGAF	
CC1=C[C@H](O)[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@]2(C)[C@H]13	102945423	LTXWSWWXNHYXCW-ZAQNNHEOSA-N	220.356	3.242	0	1	BGAF	
CC[C@H](N=O)/C(C)=C/c1ccc(OC)nc1	169723644	KNGHKYKDSABJTP-DJYGCBNOSA-N	220.272	3.039	0	1	BGAF	
C[C@@H]1[C@H]2O[C@@H]3CC[C@@]4(C=CC[C@H](C)[C@]4(C)[C@@H]13)O2	2356555034	GTARSQGFXOXFHP-NNWKIESISA-N	234.339	3.129	0	1	BGAF	
CC(=O)C1(C(C)=CC2=CC(=O)C(C)(C)C2)CC1	14513897	QZJJJZCOOVXKLT-UHFFFAOYSA-N	232.323	3.227	0	1	BGAF	biogenic
CCCCCCNC(=O)n1cnc2ccccc21	26183008	NBEXETZHMIKKJK-UHFFFAOYSA-N	245.326	3.174	0	1	BGAF	
C[C@H]1OC2(CCC(N(C)C)CC2)c2ccccc21	27713206	CJPFUMSBUUBMBV-VEAWUBTESA-N	245.366	3.477	0	1	BGAF	
O=Cc1cc(O)c(CC2CCCCC2)cc1O	95602992	YYZQZRGDXWBYBE-UHFFFAOYSA-N	234.295	3.033	0	1	BGAF	
F[C@@H]1C2=C(SC1(F)F)[C@H]1CC[C@H]2C1	101159610	BNWKOGOFYDNKHF-ZVQZEWSASA-N	206.232	3.348	0	1	BGAF	
c1ccc(-c2c[n+]3ccccc3s2)cc1	169318474	XJARURNXCTVLFO-UHFFFAOYSA-N	212.297	3.154	0	1	BGAF	
Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cn1	587213076	SVYBALLSPOPCRU-UHFFFAOYSA-N	248.285	3.101	0	1	BGAF	
CC1=CC[C@H](C(C)(C)O)C=C[C@](C)(O)CCC1	2356627224	AOROBANGFVRWRJ-DZGCQCFKSA-N	238.371	3.201	0	1	BGAF	
CCn1c2c(c3ccccc31)C[C@@H](N(C)C)CC2	39214075	PRNYDZAPYQIOSJ-LBPRGKRZSA-N	242.366	3.080	0	1	BGAF	
Oc1csc(=S)n1Cc1ccccc1	169685196	SBLXTHMCTSJDNW-UHFFFAOYSA-N	223.322	3.033	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C)C(=O)O[C@@H]3C[C@@]2(C)CCC1	238751177	WCKUJGKZDWKKKF-FMVNMVDZSA-N	234.339	3.465	0	1	BGAF	
CC1(C)O[C@H]1c1cc2c3c(cccc3n1)CC2	587216053	RHKOLQTVBCHYLZ-AWEZNQCLSA-N	225.291	3.183	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C1(C)CC1)O2	587404347	FEALESYHEWZUNS-HNNXBMFYSA-N	245.322	3.101	0	1	BGAF	
CCCCN1CC[C@H]2c3ccccc3C[C@@H]2C1	2014340	FLQWELWUFIHCPK-GDBMZVCRSA-N	229.367	3.448	0	1	BGAF	
Clc1cccc(NN2C=N[C@H]3CCCC[C@H]32)c1	29323577	UYLVNEVDYCJBFI-QWHCGFSZSA-N	249.745	3.322	0	1	BGAF	
CCCCCn1c(Cc2ccccc2)cnc1N	72104592	BIPYBDUZDHWOFL-UHFFFAOYSA-N	243.354	3.246	0	1	BGAF	
CCCn1ccc(-c2cc(CC)ccc2O)n1	1857564255	JKSNCJVVFCJPDY-UHFFFAOYSA-N	230.311	3.228	0	1	BGAF	
CC1=C[C@]2(O)O[C@@]3(CC2=C(C)C)[C@@H](C)CC[C@@H]13	103105414	ISFMXVMWEWLJGJ-JURCDPSOSA-N	234.339	3.177	0	1	BGAF	
Cc1cccc(NC2=NC[C@H](C)C2)c1C	143094943	NESACJFITBMFIA-SECBINFHSA-N	202.301	3.154	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(OC)cc2[nH]1	586885850	AHIUHMIFOVRLLW-QMTHXVAHSA-N	230.311	3.475	0	1	BGAF	
Cc1c(C)c(C)n(-c2ccccc2C(=O)O)c1C	1857585034	FYRJHUGHJPMWQC-UHFFFAOYSA-N	243.306	3.409	0	1	BGAF	
OC[C@@H]1CCC[C@@H](c2ccc(O)cc2)CC1	1857649503	TYZPZHWTUNATHL-VXGBXAGGSA-N	220.312	3.048	0	1	BGAF	
CC(=O)Nc1ccc2c(c1F)Cc1ccccc1-2	1598769	VJCWRHANHPBEHM-UHFFFAOYSA-N	241.265	3.355	0	1	BGAF	
CSC[C@@H]1CC(c2ccc(Cl)cc2)=NO1	5808535	NQLPWGPUJVRTJS-JTQLQIEISA-N	241.743	3.196	0	1	BGAF	
CCOc1c(C)ccnc1Nc1cccc(C)n1	28527859	XCUKSWOOUHNGEY-UHFFFAOYSA-N	243.310	3.236	0	1	BGAF	
C[C@]1(CC(=O)O)CCCc2c1[nH]c1ccccc21	39202913	MGJONKDZWRHICT-OAHLLOKOSA-N	243.306	3.237	0	1	BGAF	
CCCCN(C(=O)C(C)(C)C)c1nc(C)co1	39246372	WWTAOYVJSFQMBX-UHFFFAOYSA-N	238.331	3.162	0	1	BGAF	
Cc1c(O)cc(CCCCC(C)C)oc1=O	103291447	ATVUDEORTZJYHL-UHFFFAOYSA-N	224.300	3.023	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2ccccc2[nH]1	586886710	CVAWBCZSCQMXLC-TVQRCGJNSA-N	200.285	3.467	0	1	BGAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@@H]1CC[C@H]1[C@@](O)(C3)C2	2356360427	GBAVVUAZBDNEJJ-ZAQNNHEOSA-N	218.340	3.140	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](C)CC[C@@H]2[C@@H](C)CO	13381477	JZRBLGYAAXGCNI-ADEWGFFLSA-N	234.339	3.310	0	1	BGAF	biogenic
C[C@H](O)CCC/C=C/CC/C=C/C=C/C(=O)O	14510423	UZOXUKLWMRPYCQ-HIGNJNIISA-N	238.327	3.071	0	1	BGAF	
CN1c2ccccc2C(=O)C[C@@H]1c1ccccc1	26726859	XYIWVJOUTVYHGO-OAHLLOKOSA-N	237.302	3.451	0	1	BGAF	
C/C=C/[C@@H]1CC(=O)c2cc(Cl)ccc2O1	45498106	CQMHIQXVYXATCQ-GKQMSVHHSA-N	222.671	3.250	0	1	BGAF	
CCOc1ccc2cc([C@@H](C)C(=O)O)ccc2c1	59997369	WIRQQWMLTKWILR-SNVBAGLBSA-N	244.290	3.427	0	1	BGAF	
CCCCn1cnc2c3ccccc3nc-2c1O	101509382	KNGNWLGPCIAAMM-UHFFFAOYSA-N	241.294	3.042	0	1	BGAF	
O=c1c(/C=C/c2ccncc2)coc2ccccc12	103232372	MVGLSFLBADJFKA-AATRIKPKSA-N	249.269	3.358	0	1	BGAF	
Cc1cc2[nH]c([C@@H]3C[C@@H](C)CCO3)nc2c(C)n1	586916825	GCSJAMURJRCIMT-UFBFGSQYSA-N	245.326	3.062	0	1	BGAF	
Nc1c(F)cc(-c2nc3ccccc3[nH]2)cc1F	587134809	NMCRXEJGJOWRQB-UHFFFAOYSA-N	245.232	3.090	0	1	BGAF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3cncnc3[nH]2)C1	587969319	LWFFWHKBLBWWBI-NXEZZACHSA-N	244.342	3.283	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CCC3=O	2356837173	LHRXTEZLJOREFX-JCRCQARHSA-N	206.329	3.428	0	1	BGAF	
CCCCOc1ccc(-n2ccnc2)cc1	13530153	QJWFZZZHWWOBNM-UHFFFAOYSA-N	216.284	3.051	0	1	BGAF	in-vivo
CC(C)N(Cc1cnc[nH]1)c1ccc(Cl)cc1	95563099	AOHLEOYTKMSKPD-UHFFFAOYSA-N	249.745	3.478	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C(C)(C)C)O2	587404000	STFRGTCPVLUSHC-OAHLLOKOSA-N	247.338	3.347	0	1	BGAF	
CN1C=N[C@@H](c2ccccc2)c2ccccc2C1	13600189	HVOJYMNQNQPIPY-INIZCTEOSA-N	236.318	3.250	0	1	BGAF	
Cc1coc2c1[C@H](O)[C@]1(C)C(=C2)C(=O)CC[C@@H]1C	14453113	GUQVBZWOPXBZGA-LNHVQRHZSA-N	246.306	3.024	0	1	BGAF	biogenic
Oc1cccc([C@@H]2CC[C@@H]3CCCCN3C2)c1	25976490	GBPVZNJTTUIKKY-KGLIPLIRSA-N	231.339	3.124	0	1	BGAF	in-vivo
CC(C)c1ccc2c(c1)[C@@H]1OC(=O)N[C@H]1CCC2	26643357	BXYOFMNACOROSI-KBPBESRZSA-N	245.322	3.296	0	1	BGAF	
CCCCCNc1nc2cccc(C)c2c(=O)o1	27526532	ZRBBKASSHCTPPF-UHFFFAOYSA-N	246.310	3.099	0	1	BGAF	
CCc1ccc2nc(COC(F)(F)F)[nH]c2c1	587125742	SVNGKDNXXJHMMM-UHFFFAOYSA-N	244.216	3.162	0	1	BGAF	
C[C@@H]1[C@H](O)CC[C@@]23C[C@H]4[C@@H](C[C@]12C)[C@@]4(C)C3	2356475794	QACHZVKROYIYIY-XMUPMEPVSA-N	220.356	3.220	0	1	BGAF	
CN1CC[C@@H]2c3c([nH]c4ccccc34)CC[C@@H]2C1	40818544	DYADXWCUDMKIIG-NEPJUHHUSA-N	240.350	3.149	0	1	BGAF	
Cc1ccc2c(c1O)OC[C@H](c1ccccc1)C2	64548845	TYHVDKBWIYTHTM-CQSZACIVSA-N	240.302	3.419	0	1	BGAF	
CCCc1nc2ccccc2c(OC(C)=O)c1C	103288946	IPGXXQCARNNSCJ-UHFFFAOYSA-N	243.306	3.421	0	1	BGAF	
c1ccc(N2[C@H]3[C@@H]4C[C@H]([C@@H]5CCC[C@@H]45)[C@H]32)cc1	169354458	YFWARTKNDZZMCY-YXLAKCTBSA-N	225.335	3.310	0	1	BGAF	
C[C@H]1C(=O)O[C@H]2[C@@H]1CC[C@@]1(C)CCC=C[C@]21C	238750819	XYRPFQSMNZIRED-GGUBGCTKSA-N	234.339	3.321	0	1	BGAF	
C[C@@H](N=O)c1cc2c3c(cccc3n1)CC2	587213112	OIOHWFAMGFBZEM-MRVPVSSYSA-N	212.252	3.161	0	1	BGAF	
CC1=C2C=CC[C@]2(C)C[C@@H]2[C@H](C1)OC(=O)[C@@H]2C	2356430998	YRBWMPVNAOADAX-REJLFOLJSA-N	232.323	3.241	0	1	BGAF	
CC(C)[C@@H]1C[C@@H]2[C@@]3(C[C@H]1OC3=O)C[C@H]1C[C@]21C	2356784707	PTISNUDEVUCIFZ-PWCLGXPMSA-N	234.339	3.010	0	1	BGAF	
CC1=CCC2=C(C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H]12	15264449	YISJXQMPYGFTOW-ZZVYKPCYSA-N	232.323	3.241	0	1	BGAF	biogenic
CN(C)[C@H]1CCCC[C@H]1Cc1ccccc1	29323469	MGEXESJZGKIMMK-GJZGRUSLSA-N	217.356	3.350	0	1	BGAF	
Cc1nc2c(/C=C\c3ccccc3)cccn2c1N	29412554	IRUQZZZROURFAO-KTKRTIGZSA-N	249.317	3.395	0	1	BGAF	
CC/C=C\C[C@@H]1C(=O)CC[C@@H]1CCCC(=O)O	34268241	LVQJNKFFJNUFNY-WGPFEIJOSA-N	238.327	3.193	0	1	BGAF	
C/C=C(C)\C=C(/C)c1cc(=O)c(C)c(OC)o1	220632548	IZRINGWNLKDKBD-PCCLLEMOSA-N	234.295	3.326	0	1	BGAF	
Cc1ccn(-c2c(C)[nH]c3cc(F)ccc23)n1	587636373	YXPDZANIKFABIP-UHFFFAOYSA-N	229.258	3.110	0	1	BGAF	
Clc1cc2nc(CC3CC3)[nH]c2c(Cl)n1	587958922	HTEDOCFRZVJSCW-UHFFFAOYSA-N	242.109	3.217	0	1	BGAF	
Nc1cccc(/C=C/c2ccc3c(c2)OCO3)c1	53314139	QVUDKKAXURDPOG-SNAWJCMRSA-N	239.274	3.168	0	1	BGAF	
CC1=CC=C[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	141242220	RUZHVXNNTBRZPB-IHWVXMPCSA-N	232.323	3.097	0	1	BGAF	
Cc1n[nH]c(C)c1-c1cc2c3c(cccc3n1)CC2	587211673	JBPMTBCHWWLVMD-UHFFFAOYSA-N	249.317	3.340	0	1	BGAF	
CCC=CC=CC=CC[C@@H](OC)[C@@H](C)NC	2356494022	OZYMABBRNUUXQX-ZIAGYGMSSA-N	223.360	3.078	0	1	BGAF	
CC1=CC[C@H](O)[C@@](C)(O)C=C[C@H](C(C)C)CC1	2356534037	GHCUEDNOTXRLCD-ILXRZTDVSA-N	238.371	3.057	0	1	BGAF	
CC(C)[C@@H]1CC(=O)[C@@H](C)[C@@]12CC[C@@H](C)C(=O)C2	2356650603	LAEJTNRXQGCKMM-FJJYHAOUSA-N	236.355	3.243	0	1	BGAF	
Cc1c(C)c2c(c3c1C(=O)C(=O)N3)[C@H](C)C[C@@H]2C	2356790567	FSGQJQMRIIPDRW-NKWVEPMBSA-N	243.306	3.049	0	1	BGAF	
S=c1cc(-c2ccc3c(c2)OCO3)s[nH]1	6513521	QRJQDQCLOCDBTC-UHFFFAOYSA-N	237.305	3.201	0	1	BGAF	
CCOC(=O)/C=C/C=C(\C)CC[C@@H]1OC1(C)C	26719297	BZDGLKIXNUCACN-KKLNMWDTSA-N	238.327	3.010	0	1	BGAF	
CC(C)=CCc1c(O)c2ccccc2oc1=O	28818597	YRWFXMOTWDSLNX-UHFFFAOYSA-N	230.263	3.007	0	1	BGAF	
Cc1cccc2[nH]c(-c3ccc(CO)cc3)nc12	586895455	HWWQVZWGBWRHGH-UHFFFAOYSA-N	238.290	3.031	0	1	BGAF	
Fc1cc2nc(C=C3CCC3)[nH]c2cc1F	587965499	URAJPUSFSHYMTK-UHFFFAOYSA-N	220.222	3.408	0	1	BGAF	
Oc1ccccc1[C@H](O)C=Cc1ccccc1	2356309722	HQOUICNWSGFFBY-OAHLLOKOSA-N	226.275	3.139	0	1	BGAF	
CC=CC(=O)OC(C)(C)Cc1ccccc1	2356410574	OKLPIYCKVVLHCP-UHFFFAOYSA-N	218.296	3.127	0	1	BGAF	
CC(C=CC(=O)O)=C[C@@H](C)CCCC[C@@H](C)O	2356507595	YAJQQKPCPHMNKD-WCQYABFASA-N	240.343	3.151	0	1	BGAF	
CN(C)C[C@H]1CC12C1CC3CC(C1)CC2C3	3637392	BVWDEPIFYCJURX-DUTNFGBUSA-N	219.372	3.010	0	1	BGAF	
C[C@H]1CC2=C(C=C3CC(C)(C)C[C@H]31)C(=O)OC2	14486931	ILAONLFRMRRNAF-ZANVPECISA-N	232.323	3.242	0	1	BGAF	biogenic
CC1(C)O[C@@]2(C3CCCCC3)CC[C@@H]1[C@H](N)C2	85543352	CVIUKNANURGHTD-NFAWXSAZSA-N	237.387	3.242	0	1	BGAF	biogenic,in-vitro
Fc1ccc(Oc2ncnc3ccoc23)c(F)c1	169331855	MTEWLPMHHSKPNV-UHFFFAOYSA-N	248.188	3.293	0	1	BGAF	
C/C(=C\CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C)C(=O)O	238778528	NZSCHTYUGUVLHG-DZSXFHCFSA-N	234.339	3.480	0	1	BGAF	
CCC(=O)OCCC1=CC[C@H]2C[C@@H]1C2(C)C	14614459	UHQXDKLOMGZPJS-RYUDHWBXSA-N	222.328	3.322	0	1	BGAF	
C[C@H]1CC[C@H](c2ccoc2)N2CCC[C@@H]12	15221881	FYEDVVFLFWFKNZ-WCFLWFBJSA-N	205.301	3.215	0	1	BGAF	
CC1(C)[C@@H]2c3ccccc3C[C@@]21c1c[nH]cn1	64540324	JWXMKFUDAOLJCY-DZGCQCFKSA-N	224.307	3.027	0	1	BGAF	
CC1=C2C[C@]3(C)[C@H](C)CCC[C@@H]3C[C@@H]2OC1=O	169416261	AEQDXSFIHGWHDV-ZOUAZZMLSA-N	234.339	3.465	0	1	BGAF	
C[Si](C)(CNc1ccccc1)c1ccccc1	195107437	MWIAPGOHEGGFPS-UHFFFAOYSA-N	241.410	3.253	0	1	BGAF	
Cc1cccc2nc(C[C@H]3CCC(=O)[C@@H]3C)[nH]c12	587961141	DIYITALHGIXTJQ-GHMZBOCLSA-N	242.322	3.029	0	1	BGAF	
CCCC/C=C\c1nc2nc(Cl)c[nH]c-2n1	587964878	DPVQKDSERANTRZ-WAYWQWQTSA-N	236.706	3.161	0	1	BGAF	
CC(C)CCO[P@@](N)(=O)Oc1ccccc1	12472779	WQCLBCNYMYAURS-MRXNPFEDSA-N	243.243	3.195	0	1	BGAF	
Oc1ccc2nc(-c3ccc(O)c(F)c3)oc2c1	13583605	LMARQOUQPBAFEB-UHFFFAOYSA-N	245.209	3.045	0	1	BGAF	
CN1CCC(CCc2c[nH]c3ccccc23)CC1	28758070	AWLCIMZPQABRPU-UHFFFAOYSA-N	242.366	3.442	0	1	BGAF	
Cc1cccc(/C(O)=C(\O)c2cccc(C)n2)n1	35976415	YVWCFJNUJQRINX-BUHFOSPRSA-N	242.278	3.035	0	1	BGAF	
c1ccc([C@@H]2CC(c3ccoc3)=NO2)cc1	66066013	ZSMCYWLIIFTXIC-ZDUSSCGKSA-N	213.236	3.145	0	1	BGAF	
C[C@@H]1CCCN1c1cccc2ncccc12	299858535	DRPFPGDAFATGIH-LLVKDONJSA-N	212.296	3.224	0	1	BGAF	
C[C@H](F)[C@H](F)Cc1c[nH]c2ccccc12	473151868	RXBJBEBLVGFLJK-GZMMTYOYSA-N	209.239	3.407	0	1	BGAF	
Cc1[nH]c2cccc(F)c2c1-n1nccc1C	587635564	KOQIJVRYXAZJJM-UHFFFAOYSA-N	229.258	3.110	0	1	BGAF	
OCC[C@H]1CCC[C@@H](c2ccc(O)cc2)CC1	1857769919	ZOGLPNHOAMLKAP-QWHCGFSZSA-N	234.339	3.439	0	1	BGAF	
C[C@H](O)CCCC=CCCC=CC=CC(=O)O	2356709249	UZOXUKLWMRPYCQ-ZDUSSCGKSA-N	238.327	3.071	0	1	BGAF	
COc1ccc(-c2cc3ncccc3cn2)cc1	36388894	KFXPTJUUWVZBIW-UHFFFAOYSA-N	236.274	3.305	0	3	BGAF	
Cc1cc2c(cc1O)O[C@@H](C)CC(=O)[C@H]2C(C)C	13461475	NRXPKUCOZPTCRA-BONVTDFDSA-N	248.322	3.180	0	1	BGAF	biogenic
CCCC[C@@H]1C(=O)CCC[C@]12CCCCN2	28010156	QSDZSNVEJVVROA-TZMCWYRMSA-N	223.360	3.058	0	1	BGAF	
c1ccc2cc(CCc3ncc[nH]3)ccc2c1	29339773	GNKAJLPLQKZYMH-UHFFFAOYSA-N	222.291	3.348	0	1	BGAF	
Cc1cccc(N(Cc2cnc[nH]2)C(C)C)c1	96177485	FCUDDHKHXSORQZ-UHFFFAOYSA-N	229.327	3.133	0	1	BGAF	
COc1ccc(CN2C=CC(=CN=O)C=C2)cc1	139441606	GYRBNNHPFQFVGF-UHFFFAOYSA-N	242.278	3.189	0	1	BGAF	
CCSc1sc2sccc2[n+]1CC	1882648	KQPGZJZJVVVZGP-UHFFFAOYSA-N	230.403	3.382	0	1	BGAF	
COc1cccc2ccc(N3CCCCC3)nc12	26404952	HDSCWCUBGWHDBI-UHFFFAOYSA-N	242.322	3.234	0	1	BGAF	
Cc1ccc([C@]2(C)CC[C@H](C(C)(C)O)O2)cc1	40829113	IFVHOZWUEJVVRF-HIFRSBDPSA-N	234.339	3.160	0	1	BGAF	
CC(C)COc1ccc(Cl)cc1[C@H]1C[C@@H]1N	72170797	BVYLMDQBOJJSTN-PWSUYJOCSA-N	239.746	3.189	0	1	BGAF	
c1ccc(N2[C@@H]3[C@@H]2[C@@H]2C[C@@H]3[C@@H]3CCC[C@@H]23)cc1	169354457	YFWARTKNDZZMCY-JQOWZUPLSA-N	225.335	3.310	0	1	BGAF	
CC1=C[C@@H](O)[C@H]([C@@H](C)CCC[C@H](C)CO)CC1	238778418	GEEPKSLYIJDCEN-ZQDZILKHSA-N	240.387	3.138	0	1	BGAF	
C1=Cc2nc3cccc4c3c(c2CC1)CC4	587214893	FKDWVFDYKHQRHB-UHFFFAOYSA-N	207.276	3.293	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C2(C)C)[C@@]12[C@@H](O)CC[C@H]2C	2356620090	FFQOLUDKOBQBCT-VVSAWPALSA-N	220.356	3.386	0	1	BGAF	
C/C=C/CCCCC(=O)[C@H](C)C(=O)N1C=CCC1	14593227	JGNMZTXDOHXIJQ-OOPCZODUSA-N	249.354	3.074	0	1	BGAF	in-vitro
CN1c2ccccc2C=C2c3ccccc3N[C@@H]21	2356782079	CPVANMLTKXLIBY-MRXNPFEDSA-N	234.302	3.429	0	1	BGAF	
Fc1ccc2cnc(-c3cccnc3)cc2c1	61968984	UOAGAFCANRTSOF-UHFFFAOYSA-N	224.238	3.436	0	3	BGAF	
COc1ccc2c(c1)[C@@]1(C)CCC(=O)C[C@H]1CC2	3472868	MMDQZMROSQWSDC-WBMJQRKESA-N	244.334	3.268	0	1	BGAF	biogenic,in-vitro
CCCC/C=C1\OC(=O)c2ccccc21	28957506	UYKZUWVXNVHOGQ-XFXZXTDPSA-N	202.253	3.388	0	1	BGAF	
CCCOc1oc(=O)c2ccccc2c1Cl	40956890	KYCVRQRMASBJQQ-UHFFFAOYSA-N	238.670	3.235	0	1	BGAF	
CC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1	64540975	ARHWJJBPLJIHQP-AEGPPILISA-N	224.307	3.027	0	1	BGAF	
CC[C@H](C)[C@H]1N[C@@H](C)S[C@@H](C)S1	100828982	WONMKWKUDGYZEA-KDXUFGMBSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CN1CCC[C@@]2(c3ccccc3)CC[C@H]1C2	299804501	WFBUWXFIWMCECC-LSDHHAIUSA-N	215.340	3.203	0	1	BGAF	
CCCC/C=C/c1nc2cccc(C(=O)O)c2[nH]1	587965411	LTIKEIUCBSZAQP-WEVVVXLNSA-N	244.294	3.465	0	1	BGAF	
C[C@@H]1C=C2C=C[C@H](C)[C@@H](C=CC(=O)O)[C@H]2CC1	2356410140	BYJSVNHVPRQKSV-VTPLQMEGSA-N	232.323	3.422	0	1	BGAF	
c1ccc(N2N=NC[C@H]2c2ccncc2)cc1	26170458	UAMXZTLGCHJSOJ-ZDUSSCGKSA-N	224.267	3.010	0	1	BGAF	
Cc1ccc(-c2cc(NC(C)C)ncn2)cc1	82160974	WJPPFHNXMKFFNL-UHFFFAOYSA-N	227.311	3.272	0	1	BGAF	
O=C1C[C@@H]2CCC[C@@](Oc3cccc(O)c3)(C1)C2	101219341	AWSUVPXTHHRVQU-NHYWBVRUSA-N	246.306	3.063	0	1	BGAF	
Cc1cnc(Cl)c2[nH]c(C3CCC3)nc12	586884297	MMOQZBHCPFMLDW-UHFFFAOYSA-N	221.691	3.187	0	1	BGAF	
CC(C)[C@@H]1CC[C@@](C)(O)[C@H]2[C@H]3C[C@@H](C)C[C@@]123	2356443882	CKZXONNJVHXSQM-FVUFVHQMSA-N	222.372	3.466	0	1	BGAF	
Cc1ccc(C)c2c1CC[C@@H]1[C@H](C)C(=O)O[C@H]21	2356562250	RHTYOTLJAQQYBQ-SUHUHFCYSA-N	230.307	3.100	0	1	BGAF	
c1cc2c3c(ccc2[nH]1)CC[C@@H](N1CCCC1)C3	12355953	ZHYVAHQXIANQII-CYBMUJFWSA-N	240.350	3.121	0	1	BGAF	
CCCCN[C@@H]1CCc2c(O)cccc2[C@@H]1C	27656857	KGPQAMVCAGOIPT-SMDDNHRTSA-N	233.355	3.200	0	1	BGAF	
COc1ccc2c(c1)nc(C)c1[nH]ccc12	1857631850	XKLDOIMYYSDGGR-UHFFFAOYSA-N	212.252	3.033	0	1	BGAF	
CCC=Cc1cc2ccccc2c(=O)o1	2356397549	DHKBMMCQVXFEJY-UHFFFAOYSA-N	200.237	3.216	0	1	BGAF	
Clc1cccc(CN2[CH]C=CC=C2)c1	2356864093	YFIOCLHJRRSZDC-UHFFFAOYSA-N	204.680	3.387	0	1	BGAF	
CCOc1ccc2cc(C[C@H](C)N)ccc2c1	40835340	RIBPBDJODPIITD-NSHDSACASA-N	229.323	3.128	0	1	BGAF	in-vivo
C[C@@H]1CN=C(Nc2cccc3c2CCC3)C1	143189019	HDCMTJIUCVGAOZ-JTQLQIEISA-N	214.312	3.026	0	1	BGAF	
C[C@@H]1C(=O)S[C@@](C)([C@H](C)c2ccccc2)C1=O	169719302	HQDSPUUMYQWFFK-RBZYPMLTSA-N	248.347	3.027	0	1	BGAF	
C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@@H]1CC[C@@H](C)[C@H]12	2356775146	IICZMVCRWGAHJB-SDQVUQRESA-N	236.355	3.256	0	1	BGAF	
Cc1cccc(Oc2cccc3[nH]nc(N)c23)c1	45168713	CMEBVYXUCDFODD-UHFFFAOYSA-N	239.278	3.246	0	1	BGAF	
CC1=CC=C2C(C)=CC[C@@H]([C@H](C)C(=O)O)C=C12	238776631	JGCYLNRSJNVUQP-NWDGAFQWSA-N	230.307	3.486	0	1	BGAF	
c1cc2c3c(c(C[C@@H]4CCCO4)cnc3c1)CC2	587216058	RJPRZOORWKLVRE-ZDUSSCGKSA-N	239.318	3.055	0	1	BGAF	
CCC1(CC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446548	YXSWFZBEVQSRNF-LLVKDONJSA-N	246.306	3.001	0	1	BGAF	
CC[C@@H](C)c1nc2cc(OC)cc(OC)c2[nH]1	587955718	LDMCGWNPUKKWPO-MRVPVSSYSA-N	234.299	3.094	0	1	BGAF	
CCc1ccc(/C=C2/C(=O)Nc3ccccc32)o1	13780173	RDCSKHKMKUBCAJ-UKTHLTGXSA-N	239.274	3.335	0	1	BGAF	
C=C1C(C)=CC(=O)[C@H]2C(C)(C)C(=O)CC[C@@]12C	14449322	IHIHSGANYYVZAE-ZFWWWQNUSA-N	232.323	3.083	0	1	BGAF	biogenic
Cc1cccc(/N=c2/ssnc2Cl)c1	169688201	OPBVEGBRJGQOIK-PKNBQFBNSA-N	242.756	3.399	0	1	BGAF	
C[C@@H]1[C@@H]2Cc3ccccc3[C@]1(C)C[C@@H](C)N2C	253634251	RWJVTTDOGFCAJS-AVRGHOLYSA-N	229.367	3.229	0	1	BGAF	
CN(C)C[C@H]1[C@@H](c2ccccc2)[C@H]2CC[C@@H]1C2	13795207	KHJQHGAUNZLOFM-QXSJWSMHSA-N	229.367	3.378	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]2(C)NC=O)C1(C)C	13375007	KDRPIAGOHIYGEH-PNJFHANVSA-N	249.398	3.219	0	1	BGAF	biogenic
CCOc1cc2c(cc1OC)OC(C)(C)C=C2	34244853	LBZMTRCAPZJDJM-UHFFFAOYSA-N	234.295	3.278	0	1	BGAF	
CC1(C)CCC=C2CO[C@]3(C)CC[C@]21O3	100826956	AKKNWGRLXKHQDH-STQMWFEESA-N	208.301	3.028	0	1	BGAF	endogenous,in-man
CC1(C)CCC[C@@]2(C)[C@H]1CC=C1OCC(=O)[C@@H]12	238779147	JJURWYXZUIFCGL-YDHLFZDLSA-N	234.339	3.322	0	1	BGAF	
Cc1[nH]nc2nc(O)cc(C3CCCCC3)c12	1911574621	JYQPIKLUCRVQRE-UHFFFAOYSA-N	231.299	3.020	0	1	BGAF	
CCc1[nH]nc2nc(O)cc(C3CCCCC3)c12	1911585397	KDOGGCVUVDIMJL-UHFFFAOYSA-N	245.326	3.274	0	1	BGAF	
CC(=O)c1ccc2c(c1)C=CC(=CCl)CO2	2356640148	QEWSARCWWQPUSM-UHFFFAOYSA-N	234.682	3.418	0	1	BGAF	
CC(C)CCN1C(Nc2ccccc2)=NC[C@@H]1C	15924653	ADJDGPJZHNSIKV-ZDUSSCGKSA-N	245.370	3.205	0	3	BGAF	
COc1ccc(CCc2ccccc2)cc1OC	26575908	GDFCXAMHJSXNCT-UHFFFAOYSA-N	242.318	3.489	0	1	BGAF	
C/C=C/C=C/C=C\C=C/C(=O)N1C=CCCC1	45097239	JLBTYPJRECBOEI-LKSCOHOESA-N	229.323	3.367	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)C[C@H](O)[C@]3(C)CC[C@]12O3	238766594	VLIUMVVQGMLOJG-RMEBNNNOSA-N	238.371	3.131	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(F)cnc2[nH]1	586890912	PSHKBSUCIWTQDH-PELKAZGASA-N	219.263	3.001	0	1	BGAF	
C[C@@]12CCc3c(nc4cccc5c4c3CC5)[C@H]1O2	587216320	ZXKVLOYXYZDTQF-HZPDHXFCSA-N	237.302	3.110	0	1	BGAF	
Cc1ccc(C)c2[nH]c(CCOCC3CC3)nc12	587783310	NGVDIRFFWJHNQT-UHFFFAOYSA-N	244.338	3.149	0	1	BGAF	
COc1cc(C=CCO)ccc1OCC=C(C)C	2356744807	JVHWAXVDBZHERR-UHFFFAOYSA-N	248.322	3.046	0	1	BGAF	
O=c1cc(-c2ccco2)nc(-c2cccs2)o1	4328423	SVPSLTBEPRYELN-UHFFFAOYSA-N	245.259	3.023	0	3	BGAF	
O[C@@H]1CCC2=C(C[C@@H](CCN3CCCCC3)C2)C1	169327453	JETQOIJXQDJVMI-XJKSGUPXSA-N	249.398	3.114	0	1	BGAF	
CC1=COC=C[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12	257406924	DMFSWNMSKDPBCG-VNHYZAJKSA-N	246.306	3.092	0	1	BGAF	
C(=C/c1nc2cccnc2[nH]1)\c1ccsc1	587026493	UYHZGKYYDHCBKG-ONEGZZNKSA-N	227.292	3.190	0	1	BGAF	
C[C@@H]1CCc2nc3cccc4c3c(c21)CC4	587216119	ZRSTUXLVNXDHRW-SECBINFHSA-N	209.292	3.383	0	1	BGAF	
CC[C@H](C)c1ccc2[nH]c(C)c(C(N)=O)c2c1	587642740	ONFJMZGESYTMQH-QMMMGPOBSA-N	230.311	3.089	0	1	BGAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@]13CC[C@@]21CC[C@H]3O	2356351691	DFBIFSIVSFAGEV-SIJPQNPESA-N	220.356	3.364	0	1	BGAF	
CC1=C(C)C[C@@]23CCCN2C(=O)CCC[C@H]3C1	13814355	KOZFCUPFWCMLFA-DZGCQCFKSA-N	233.355	3.278	0	1	BGAF	
Cc1ccc2c(n1)C[C@@H](C(C)(C)O)CC[C@H]2C	15265313	LWYMRLDOLMZJGZ-PWSUYJOCSA-N	233.355	3.217	0	1	BGAF	biogenic
CCCN1CC[C@@H]2c3c(cccc3OC)CC[C@H]21	26009982	HPUKPOAWHHZLIX-UONOGXRCSA-N	245.366	3.209	0	1	BGAF	
CCC=CC=CC=CC[C@@H](OC)[C@H](C)NC	2356494021	OZYMABBRNUUXQX-UONOGXRCSA-N	223.360	3.078	0	1	BGAF	
Cc1coc2c1C[C@@]1(C)C(=CCC(=O)[C@@H]1C)C2	15221443	BICUIOBLBYQYLO-ZUZCIYMTSA-N	230.307	3.228	0	1	BGAF	biogenic,in-vitro
O=c1oc(-c2ccco2)cc2ccccc12	36438892	WLRXSUYRHKEAAQ-UHFFFAOYSA-N	212.204	3.053	0	1	BGAF	
CCN(CC)C12C[C@H]3C[C@@H](CC(CC)(C3)O1)C2	101546641	KGDKJEMGFLSUBU-HESLUPGFSA-N	237.387	3.414	0	1	BGAF	
Fc1ccc(C2=NOCc3ccccc32)cc1F	103187138	DZULBMRIQLPWFB-UHFFFAOYSA-N	245.228	3.247	0	1	BGAF	
CC[C@@H](C)/C=C\c1oc(=O)cc(OC)c1C	209364512	KTXOHEGYWWVREA-ATJFRQLMSA-N	222.284	3.016	0	1	BGAF	
Cc1[nH]nc2nc(O)cc([C@H]3CCCC[C@H]3C)c12	1911577164	ISZNDMVFJQJILW-SCZZXKLOSA-N	245.326	3.266	0	1	BGAF	
O=CNc1cccc2c3c([nH]c12)CCCCCC3	5883099	HSXZREWLLXMWMN-UHFFFAOYSA-N	242.322	3.395	0	1	BGAF	
CCc1ccc2[n+](c1)CCc1c-2[nH]c2ccccc12	5956462	DAGPUIPHACXCSU-UHFFFAOYSA-O	249.337	3.241	0	1	BGAF	
COc1ccc(OC)c([C@@H]2OCCC=C[C@@H]2C)c1	7992241	KKNQIKFFKQJXFR-XHDPSFHLSA-N	248.322	3.358	0	1	BGAF	
Cc1ccc2c(c1)[C@@]1(C)N[C@@H](C2)c2ccccc21	13886742	DGTUVJAVPZIMON-IRXDYDNUSA-N	235.330	3.459	0	1	BGAF	
CC1=CC[C@@H]([C@]2(C)CC[C@@H](O)C(C)(C)O2)CC1	14859989	WJHRAVIQWFQMKF-NFAWXSAZSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
CC1(C)CN2C(c3ccccc3)=CSC2=N1	33873850	HKKQVHLBHDWXSV-UHFFFAOYSA-N	230.336	3.182	0	1	BGAF	
CC(C)C[C@@H](NO)c1c[nH]c2ccc(F)cc12	71335407	NYKJQPDXIDKQJC-CYBMUJFWSA-N	236.290	3.373	0	1	BGAF	
Cc1cccc(-c2cc(NC(C)C)ncn2)c1	82162262	UCZAWGXNPOUERP-UHFFFAOYSA-N	227.311	3.272	0	1	BGAF	
c1ccc([C@@]23CCN[C@@H](Cc4ccccc42)C3)cc1	118529685	JAMDMZHMCDWTDF-WMZOPIPTSA-N	249.357	3.281	0	1	BGAF	
Cc1ccc2nc(C[C@@H]3CCC(=O)[C@H]3C)[nH]c2c1	587961464	GDRWZGHKZVMKAV-QWRGUYRKSA-N	242.322	3.029	0	1	BGAF	
CC1(C)[C@H]2[C@H]1CCC[C@H]1CC[C@](C)(O)[C@H]12	2356357327	RWCYAQCZBPFTTA-HXNLIRTISA-N	208.345	3.220	0	1	BGAF	
CC1=C[C@@H]2OC(=O)[C@H](C)[C@H]2CCC=CCC1	2356647693	TWYXTYZPUDIFIW-UPJWGTAASA-N	220.312	3.241	0	1	BGAF	
O=C1CCC[C@H]1[C@H](O)c1ccc2ccccc2c1	8689780	DAGNKZSTMNRBRU-GDBMZVCRSA-N	240.302	3.242	0	1	BGAF	
CCCN(CCC)[C@@H]1CCn2c(C)ccc2C1	13642091	OAWCCPORHBJQQY-CQSZACIVSA-N	234.387	3.233	0	1	BGAF	
Cc1ccc2c(c1)[C@@H]1CN[C@@H](C2)c2ccccc21	100739955	JIWKMZXTFUAGMT-SJORKVTESA-N	235.330	3.327	0	1	BGAF	
COc1ccc(/C=C/c2cccc(N)c2)cc1	220418845	BUQGTRSMAFBMME-AATRIKPKSA-N	225.291	3.448	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)-c1ccncc1C4)CC2	587212705	QDKKMQGFKKVULP-UHFFFAOYSA-N	244.297	3.300	0	1	BGAF	
CC1=CC2=C(C[C@H]3CC(C)(C)C[C@H]13)C(=O)OC2	2356376406	SPRTUTBFXHYHOO-GXFFZTMASA-N	232.323	3.242	0	1	BGAF	
CN(C)c1ccc(-c2cccc3nccn23)cc1	61930145	KVTVRQHOXSNKHT-UHFFFAOYSA-N	237.306	3.067	0	3	BGAF	
CC1(C)CC(C[C@@H]2CN=CN2)=Cc2ccccc21	13862106	VUEUPAZWNIDHOX-CQSZACIVSA-N	240.350	3.142	0	1	BGAF	
COCc1ccc(OCc2ccc(O)cc2)cc1	14589698	JMZZLVBQLUTYJA-UHFFFAOYSA-N	244.290	3.118	0	1	BGAF	biogenic,in-vitro
C[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N12	28756247	MZVMQPFTTQKLEJ-GBJTYRQASA-N	239.403	3.333	0	1	BGAF	
Oc1c(F)cc(-c2nc3ccccc3o2)cc1F	28964728	RSCHXFOPWWGHAQ-UHFFFAOYSA-N	247.200	3.479	0	1	BGAF	
CCCCCCOC(=O)c1cccc(S)n1	28969271	XQEVBXYFXXEMPD-UHFFFAOYSA-N	239.340	3.107	0	1	BGAF	
CCN(CC)C12C3[C@H]4CC[C@H]1[C@H]4[C@H]1[C@@H]2CC[C@@H]31	169349776	GDVMUULPVWCANP-QLWWBGCGSA-N	231.383	3.009	0	1	BGAF	
Cc1ccc2nc(-c3ccoc3C3CC3)[nH]c2n1	586901516	LXVITESIQBWEKZ-UHFFFAOYSA-N	239.278	3.404	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)-c1[nH]ccc1CC4)CC2	587212009	NTGIJAOAVWQDQB-UHFFFAOYSA-N	246.313	3.427	0	1	BGAF	
CCC1(c2cc3c4c(cccc4n2)CC3)COC1	587216072	RYPULQIOVVQFRT-UHFFFAOYSA-N	239.318	3.011	0	1	BGAF	
CCC[C@@H](C)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587406432	QXBDWBWJSNHVJI-YGRLFVJLSA-N	247.338	3.347	0	1	BGAF	
Cc1cnc(Cl)c2[nH]c(C=C3CCC3)nc12	587964952	KFYQKFOQXMXEIN-UHFFFAOYSA-N	233.702	3.487	0	1	BGAF	
C[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	14583996	YOZGACBWDKFAAD-MEBBXXQBSA-N	238.334	3.058	0	1	BGAF	biogenic
CSC(=O)N(C)/C=C/c1ccccc1	14614011	RETURNBTBXSONZ-CMDGGOBGSA-N	207.298	3.072	0	1	BGAF	
CC1=CCC2=C(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	15264858	KQBRXXMGSZOJLH-GXTWGEPZSA-N	230.307	3.305	0	1	BGAF	biogenic
C[C@@H]1CCCN1CCc1cc2ccccc2[nH]1	29130733	WBMVFDFFHCFFBG-GFCCVEGCSA-N	228.339	3.195	0	1	BGAF	
CN1C[C@H]2C=C(c3ccc(Cl)nc3)C[C@@H](C2)C1	101576922	XOEJXZGEXAMGIL-GHMZBOCLSA-N	248.757	3.090	0	1	BGAF	
Cc1ccc(-c2sc3cccc[n+]3c2O)cc1	29405763	HYPGSRCPWZEPJQ-UHFFFAOYSA-O	242.323	3.168	0	1	BGAF	
CC(=O)Oc1ccc(C(C)=O)cc1CC=C(C)C	167751963	FQWJXFAUDVUUSC-UHFFFAOYSA-N	246.306	3.323	0	1	BGAF	
CC[C@@H]1OCCC[C@@H]1c1nc2ccc(F)cc2[nH]1	586908716	CXJQAMHWKBJCTA-GWCFXTLKSA-N	248.301	3.375	0	1	BGAF	
CN1Cc2cc(F)ccc2[C@H](c2ccccc2)C1	95559508	LULUPYXXDWTNNO-INIZCTEOSA-N	241.309	3.403	0	1	BGAF	
O=c1cc(-c2ccc[nH]2)[nH]c2c1ccc1[nH]ccc12	102786805	MZCWLPBUKQCDME-UHFFFAOYSA-N	249.273	3.005	0	1	BGAF	
Cc1ccc([C@H]2CN3C=CSC3=N2)cc1C	169314166	ZKNIWBGWKBYQLP-GFCCVEGCSA-N	230.336	3.234	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cc3cn[nH]c3cc2[nH]1	586890902	PPDDGKWIRUBKTQ-LKFCYVNXSA-N	240.310	3.343	0	1	BGAF	
CC(=O)N/C(=C/c1ccccc1)c1ccccc1	36387594	GQVJHHSEKHCPNC-FOWTUZBSSA-N	237.302	3.321	0	3	BGAF	
CC(C)[C@]12CC[C@](C)(O1)[C@H]1C(=O)C[C@H](C)[C@@H]1C2	15160952	CSLBUZGPLRECOR-ZYDPBQMLSA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
C[C@@H](C(=O)O)c1ccc(Cc2ccoc2)cc1F	84709091	KDIWFKFUVQXPCD-SECBINFHSA-N	248.253	3.198	0	1	BGAF	
CCCCCc1cc(OC)cc(OC)c1O	196555307	SFMILRAEDXJXGI-UHFFFAOYSA-N	224.300	3.142	0	1	BGAF	
Cc1cc(C)n2c1C=C(c1ccc(F)cc1)C2=O	653722905	SZCNYBSNGOSBJD-UHFFFAOYSA-N	241.265	3.438	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1C[C@H](O)[C@@](C)(C1)C2(C)C	2356692625	FJUSPHRLRVCESP-YZDFOLFKSA-N	222.372	3.466	0	1	BGAF	
CC1=CN(Cc2cc(C)cc(C)c2)[C](N)C=C1	2356867208	JNSCRZCECQZJKI-UHFFFAOYSA-N	227.331	3.027	0	1	BGAF	
COc1ccc2c(c1)CC/C=C(/C)CCO2	203763940	VMBVCYOTHAZQGL-WCIBSUBMSA-N	218.296	3.357	0	3	BGAF	
COC(=O)C1=C(c2ccccc2)C[C@@H]2CC[C@H]1C2	13809563	BXNXEXWOZMNHST-YPMHNXCESA-N	242.318	3.433	0	1	BGAF	
C/C(=C/CC[C@]1(C)C2C[C@H]3[C@@H](C2)[C@@]31C)CO	100189795	PDEQKAVEYSOLJX-YCDRKWPRSA-N	220.356	3.387	0	1	BGAF	in-vitro
C[C@@H]1CCC(Nc2cccc3c2CCC3)=N1	142977858	HRZOPOFYPWUPEJ-SNVBAGLBSA-N	214.312	3.168	0	1	BGAF	
CC1=C[C@@H]2COC(=O)C2=C[C@@H]2CC(C)(C)C[C@@H]12	238731929	SDGDZZUGQPRQHZ-WZRBSPASSA-N	232.323	3.098	0	1	BGAF	
CC1=Nc2c3c(nc4ccccc24)CCC[C@@H]3N1	3806818	SJZMSTAIWFGFOK-LBPRGKRZSA-N	237.306	3.265	0	1	BGAF	
COc1cc(CC(=O)O)cc(C2CCCCC2)c1	2005589	AHDHGUHGYWNZNG-UHFFFAOYSA-N	248.322	3.370	0	1	BGAF	
CC[C@H](C)c1ccc(C(=O)Cn2ccnc2)cc1	13209420	OOXCESFTNOWERX-LBPRGKRZSA-N	242.322	3.280	0	1	BGAF	
Cc1nccc2c1C[C@H](CC[C@H](C)O)C2(C)C	14688570	IMDXDPUTIISQIM-JQWIXIFHSA-N	233.355	3.001	0	1	BGAF	endogenous,in-man
CN1[C@@H]2C=C(c3c[nH]c4ccccc34)C[C@@H]1CC2	169360765	ZOMRBJBMKLVVRD-STQMWFEESA-N	238.334	3.418	0	1	BGAF	
COc1cc(OC)c2[nH]c(C=C3CCC3)nc2c1	587964637	FBIQANRJMKPXFE-UHFFFAOYSA-N	244.294	3.147	0	1	BGAF	
C[C@@H]1CC[C@@]2(N)[C@@H]1[C@H]1[C@@H](CC[C@H]2C)C1(C)C	2356786205	ZKBVUQVTVPCLNT-LREAXHOUSA-N	221.388	3.432	0	1	BGAF	
C[C@@H]1CCCCc2cc(O)ccc2OC(=O)CC1	206024195	UJVXOPNXJHOBSW-LLVKDONJSA-N	248.322	3.440	0	3	BGAF	
Clc1cccc2ccc(C[C@@H]3CN=CN3)cc12	13862086	LICJPBUGTHDADI-GFCCVEGCSA-N	244.725	3.036	0	1	BGAF	
Nc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1	53314141	DDMGRJBNVVXAAX-OWOJBTEDSA-N	239.274	3.168	0	1	BGAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@@H](O)[C@@H]2CC1	2356753496	CZOVHVBPUXRRQZ-REWJHTLYSA-N	208.345	3.386	0	1	BGAF	
CC(C)c1cc2cc3ccc(=O)oc3c(O)c2o1	13360756	XNTDAWMVRIOYHS-UHFFFAOYSA-N	244.246	3.368	0	1	BGAF	biogenic
CC(C)=C[C@]1(O)C[C@H](C)C[C@H]1C(=O)c1ccoc1	13415121	DIKCWVMLDIFAOQ-ZLDLUXBVSA-N	248.322	3.206	0	1	BGAF	biogenic
CCCc1ccc(OCCCn2ccnc2)cc1	103187600	RGKSIHBIUNTVRG-UHFFFAOYSA-N	244.338	3.305	0	1	BGAF	
CCCC/C=C\c1nc2cc(OC)ncc2[nH]1	587964656	AUJAMRLQBURNJE-SREVYHEPSA-N	231.299	3.170	0	1	BGAF	
CCCC/C=C\c1nc2cc(F)cnc2[nH]1	587966601	WTYKBQFREFWNOC-WAYWQWQTSA-N	219.263	3.300	0	1	BGAF	
Cc1cc(C)n2c1C=C(c1ccccc1)C2=O	653745153	UBNZSZZVNFRRSV-UHFFFAOYSA-N	223.275	3.299	0	1	BGAF	
COC(=O)c1[nH]c2cc(OC)ccc2c1C(C)C	1857541586	MRGKWZSJUGOUCP-UHFFFAOYSA-N	247.294	3.087	0	1	BGAF	
Cn1cncc1-c1ccc2ccccc2c1	13674490	XRBMGEDHGFFVFP-UHFFFAOYSA-N	208.264	3.240	0	1	BGAF	
C/C(=C\CC[C@@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O	100065778	NZSCHTYUGUVLHG-ZRVBLVAASA-N	234.339	3.480	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@H]1c1c(cccc1C(F)(F)F)C2	100698615	FNNWVHKNBUNHFU-HOTUBEGUSA-N	241.256	3.082	0	1	BGAF	
C=C1C(=O)O[C@H]2C[C@@]3(C)CCCC(C)=C3C=C12	15208070	BYOSLFDXLVEURJ-DZGCQCFKSA-N	230.307	3.305	0	1	BGAF	biogenic
CC(C)(O)/C=C/C[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C	238777206	OHRVTGGRAFBYNX-ZGVOOZQTSA-N	220.356	3.386	0	1	BGAF	
OCCCC[C@@H](O)c1ccc(Cl)c(Cl)c1	1857758084	CSXLYXAWUDUQAO-LLVKDONJSA-N	249.137	3.189	0	1	BGAF	
CCCC=CCOC(=O)c1ccccc1	2356406863	IRWNFSMZBFIURE-UHFFFAOYSA-N	204.269	3.200	0	1	BGAF	
C[C@@H]1[C@H]2O[C@@H]3CC[C@@]4(C=CC[C@H](C)[C@@]4(C)[C@@H]13)O2	2356555035	GTARSQGFXOXFHP-SQGICHGQSA-N	234.339	3.129	0	1	BGAF	
Cc1oc(=O)cc2c1CC(C)(C)C[C@@H]1C[C@]21C	14694976	PWSPHWLLNDWGKG-BMIGLBTASA-N	232.323	3.198	0	1	BGAF	biogenic
CC1=C[C@H](O)[C@H]([C@H](C)CC/C=C(\C)CO)CC1	14859838	DFIUOPFZVPTMHK-HRSPRXKWSA-N	238.371	3.059	0	1	BGAF	
CCCN[C@H]1C[C@H]2C[C@@H]1c1ccccc12	29472646	VGDVQXXSROPFHH-HONMWMINSA-N	201.313	3.029	0	1	BGAF	
Cc1cc2cc(Nc3cccnc3N)ccc2[nH]1	618009872	MFDQAPDKMQDOIH-UHFFFAOYSA-N	238.294	3.197	0	1	BGAF	
c1ccc(-c2ccnc(-c3nccs3)n2)cc1	1020154	LQFHEJYWLBGVBE-UHFFFAOYSA-N	239.303	3.267	0	1	BGAF	
c1ccc(-c2ccc(-c3ccccn3)nc2)nc1	4188628	XWTBWGOVAMAFAX-UHFFFAOYSA-N	233.274	3.206	0	1	BGAF	
CCCCNCCc1c[nH]c2ccc(F)cc12	66252103	NONLJDVFYRBQIM-UHFFFAOYSA-N	234.318	3.239	0	1	BGAF	
Fc1ccc2c(c1)CC/C2=C/c1cncnc1	100377042	LEJPKWXGQFBXRX-WZUFQYTHSA-N	226.254	3.103	0	1	BGAF	in-vivo
C[C@@]12N[C@](F)(Cc3ccccc31)c1ccccc12	100649312	QWQKTSIJXLQBCC-HZPDHXFCSA-N	239.293	3.232	0	1	BGAF	
COc1cccc([C@@]23CCCN(C)[C@H](CC2)C3)c1	100788901	NEKUICGVWOZZFZ-ZBFHGGJFSA-N	245.366	3.211	0	1	BGAF	
O=C(c1ccno1)c1coc2ccc(Cl)cc12	587278671	QNUADINWBPDROY-UHFFFAOYSA-N	247.637	3.305	0	1	BGAF	
CCCC/C=C/c1nc2cccc(O)c2[nH]1	587965294	JIYDVPWHEXHEOY-WEVVVXLNSA-N	216.284	3.472	0	1	BGAF	
CC(C)C1=CC[C@](C)(O)[C@@H]2CC=CC[C@H]12	2356713812	SLQVJCSGLGJRIG-MCIONIFRSA-N	206.329	3.306	0	1	BGAF	
Oc1ccc(-c2coc3cc(O)cc(O)c23)cc1	116981029	YYFHITMLHJISDY-UHFFFAOYSA-N	242.230	3.217	0	1	BGAF	
Oc1ccc2occ([C@@H](O)c3cccs3)c2c1	1436925	WUJVGCAUIUFNAX-CYBMUJFWSA-N	246.287	3.282	0	1	BGAF	
c1cc2c(ncn3cnc(C4CCCCC4)c23)[nH]1	144415692	PLXGEXDAGHYMJU-UHFFFAOYSA-N	240.310	3.258	0	1	BGAF	
CC[C@@]1(OC)Cc2ccc(C(C)C)c(O)c21	222135577	FQPZYASHPGIFLY-CQSZACIVSA-N	220.312	3.323	0	1	BGAF	
CC(=O)[C@H]1CC[C@H]2[C@H]1[C@H](C(C)C)CC[C@@]2(C)O	238784389	WLXJHVQYKOJBBN-AIEDFZFUSA-N	238.371	3.035	0	1	BGAF	
Cc1ccc(C)c2[nH]c(-c3csc(O)n3)nc12	587017909	PWLQLSDCGXIBHV-UHFFFAOYSA-N	245.307	3.009	0	1	BGAF	
Cc1ccccc1C(=O)n1nc(C)c(Cl)c1C	1857655736	AYTXEYQJJJBRRI-UHFFFAOYSA-N	248.713	3.150	0	1	BGAF	
CC1(C)O[C@]23[C@@H]1CCC[C@@]2(C)CCC[C@@]3(C)O	2356428589	QSDDIDRVVWDTTL-FAAHXZRKSA-N	238.371	3.275	0	1	BGAF	
CC(C)[C@H]1[C@H]2C[C@@]3(C)CC[C@H]2[C@@](C)(C3)[C@@H]1NC=O	2356758895	OSVZIYFFGGLQGX-LFTMDZKFSA-N	249.398	3.219	0	1	BGAF	
CC(C)COc1cccc(N2CCCCC2)n1	28226436	BGBGSPRQPWLBHL-UHFFFAOYSA-N	234.343	3.107	0	1	BGAF	
COC(=O)C1=C(c2ccccc2)[C@@H]2CC[C@H]1C2	28825704	GKWNAKMFUGNGOE-NEPJUHHUSA-N	228.291	3.043	0	1	BGAF	
Cc1cc(CO)c2n1[C@@H](c1ccccc1)SC2	64403841	BEPIPCHRORWSDE-CQSZACIVSA-N	245.347	3.083	0	1	BGAF	
CC1=C2[C@H](C[C@H]3CCC[C@@H]4CC[C@@H]2[C@]43C)OC1=O	238774640	YOLUHJBWUANMDW-XRMRDTNMSA-N	246.350	3.465	0	1	BGAF	
O=C1c2ccccc2[C@]2(c3ccccc3)CCCN12	3787470	XNYDFVOFZSYAQP-QGZVFWFLSA-N	249.313	3.180	0	1	BGAF	
CC(=O)[C@@H]1[C@H]2CC(=O)C[C@@]2(C)CCCC1(C)C	14413010	MMKGCZLPPJRCFV-UMVBOHGHSA-N	236.355	3.387	0	1	BGAF	biogenic
CC1=CCC2=C(C)C[C@@H]3OC(=O)[C@H](C)[C@H]3C[C@H]12	15264453	YISJXQMPYGFTOW-ZRJCITRHSA-N	232.323	3.241	0	1	BGAF	biogenic
O=C1C=CC[C@@H](Cc2ccc3ccccc3c2)O1	72124597	PHZFNSLJRYAEJQ-HNNXBMFYSA-N	238.286	3.254	0	1	BGAF	
O=C1C[C@H]2CCC[C@@](OCc3ccccc3)(C1)C2	29416483	RMLUYNRWKNCELN-ZBFHGGJFSA-N	244.334	3.495	0	1	BGAF	
CC1(C)CCC[C@]2(C)C[C@H]3CO[C@H](O)[C@H]3[C@]12C	34519717	WYFUXAIEKPJVEH-JQPXUNLUSA-N	238.371	3.194	0	1	BGAF	
C[C@@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1	40829359	AYVHIUIIRXDSCH-GMEUVTARSA-N	242.149	3.100	0	1	BGAF	
Cc1cccc(C(=O)[C@H](C)NC2CCCC2)c1	45348729	VLLKJTHFWNJPCE-LBPRGKRZSA-N	231.339	3.098	0	1	BGAF	in-vivo
Cc1cccc2c1OCN(c1ccccc1)C2	49071594	MFPJBAILIPMFLG-UHFFFAOYSA-N	225.291	3.352	0	1	BGAF	
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C21CCCC1	85545686	DJJOKZMYZKNQMZ-NTZNESFSSA-N	208.345	3.364	0	1	BGAF	biogenic,in-vitro
Cc1ccc(F)c(Nc2n[nH]c3cccnc23)c1	146671207	AUYYURKZHOUDGE-UHFFFAOYSA-N	242.257	3.149	0	1	BGAF	
CCOC(=O)c1cc2cc(C)ccc2cc1O	169729294	XJWXAOLJYRMSIM-UHFFFAOYSA-N	230.263	3.031	0	1	BGAF	
C[C@@H]1O[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1	586917492	QZGAAJQSCSQYCA-AJAUBTJJSA-N	243.093	3.330	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@H]1C=C[C@@](O)(CO)CC1	2356483616	QRDXWQFHSPWYOD-ZNMIVQPWSA-N	238.371	3.059	0	1	BGAF	
CN1C2Cc3ccccc3C1c1ccccc1C2	27883771	NYHMPTASKJATAQ-UHFFFAOYSA-N	235.330	3.189	0	1	BGAF	
CO[C@@]1(c2ccccc2)CCCC[C@H]1CN(C)C	29128628	HRKLUXSFAYPUIK-JKSUJKDBSA-N	247.382	3.280	0	1	BGAF	
Clc1cccc2[nH]c3c(c12)CCc1c[nH]nc1-3	38765242	JKLTYLMWDNSYTE-UHFFFAOYSA-N	243.697	3.310	0	1	BGAF	
CCCOc1cc2c(cn1)Cc1ccccc1-2	40833685	GBIFMXUHERVYBL-UHFFFAOYSA-N	225.291	3.442	0	1	BGAF	
CC(C)c1cc(C2=CCC[C@@H]3CC[C@H]2N3)on1	72142906	VGBDXHHMMFYQNT-ZYHUDNBSSA-N	232.327	3.096	0	1	BGAF	
CC1=C[C@H](O)[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@@]2(C)[C@@H]13	101566580	LTXWSWWXNHYXCW-UJOWSUJOSA-N	220.356	3.242	0	1	BGAF	
C[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1	587215696	RSJCUBKFSIVXQI-SNVBAGLBSA-N	223.319	3.458	0	1	BGAF	
NCCc1c[nH]c2ccc(C3CCCC3)cc12	13782885	ZCKUFKOJCDUQRY-UHFFFAOYSA-N	228.339	3.327	0	1	BGAF	
CC[C@@](C)(O)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1C=C(C)C	36471800	CJDZRSPYLGEJSX-KBUPBQIOSA-N	238.371	3.057	0	1	BGAF	
Cc1cc(F)c2[nH]c([C@H](C(C)C)N(C)C)nc2c1	587199202	ZWCTUHXEOUWTKH-ZDUSSCGKSA-N	249.333	3.269	0	1	BGAF	
O=C1CCC[C@H](c2ccc(O)cc2)CC1	1857771823	YTUGLQIEYCLNSZ-JTQLQIEISA-N	204.269	3.009	0	1	BGAF	
CC(=CCC[C@@H](C)c1ccc(C=O)cc1)CO	2356439199	IFGXWDSCDATMFF-CYBMUJFWSA-N	232.323	3.321	0	1	BGAF	
Cc1coc2c1C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C2	1571783	MHEQQQWHNMVBFL-GMXABZIVSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
Cc1[nH]cnc1CSc1ccccc1	5129297	YWVYIQHMRCZWSF-UHFFFAOYSA-N	204.298	3.010	0	1	BGAF	
S=C(S)O[C@@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	100468880	PWLXJBSAUKKGCM-SRQGCSHVSA-N	228.382	3.042	0	1	BGAF	
CC1(C)CC=C[C@]2(C)O[C@]3(C)CC[C@@]12O3	100825896	QXHORPLJTIHQGR-RWMBFGLXSA-N	208.301	3.027	0	1	BGAF	endogenous,in-man
[18F]C[C@]12N[C@H](Cc3ccccc31)c1ccccc12	102030264	LGHXZBIPTSRPJL-RPGDRRAESA-N	238.296	3.100	0	1	BGAF	
CC(C)=CCC[C@@H]1CC[C@](C)(O)[C@H](C)[C@@]1(C)O	2356598919	FNTWVIBKYQRXAE-LJISPDSOSA-N	240.387	3.281	0	1	BGAF	
COc1ccc2oc3c4c2c1CC[C@H]4CCC3=O	1617907	LLXKFPDBYOGIIU-QMMMGPOBSA-N	242.274	3.448	0	1	BGAF	
CN(C(=S)c1ccccn1)c1cccc(F)c1	26984505	QMKXVASFDLTXPV-UHFFFAOYSA-N	246.310	3.033	0	1	BGAF	
CCC(CC)Oc1cccc2ccc(N)nc12	28373156	ZYSOQSQXCCTFTO-UHFFFAOYSA-N	230.311	3.384	0	1	BGAF	in-vivo
O=Cc1cc(-c2ccsc2)cc(F)c1O	169699630	BZFZVODKRRACFK-UHFFFAOYSA-N	222.240	3.072	0	1	BGAF	
C[C@H]1CCO[C@H](c2nc3ccccc3[nH]2)C1	586917465	QQINBPTUPBELEO-CABZTGNLSA-N	216.284	3.051	0	1	BGAF	
CC1=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]2C(O)=C1	2356756796	PPFMQQOEBRCEBH-KWCYVHTRSA-N	248.322	3.292	0	1	BGAF	
c1ccc(C2=N[C@@H]3O[C@H]2c2ccccc23)cc1	5940201	SUHOFGLAPMQIEI-LSDHHAIUSA-N	221.259	3.259	0	1	BGAF	
C[C@H](CO)[C@H]1CC[C@@]2(C)CC(=O)C[C@@H](C)[C@@H]2C1	14452665	QMNNAXDMINTORB-MUGBGTHKSA-N	238.371	3.036	0	1	BGAF	
CN1CC[C@@]2(c3cccc(O)c3)CCCC[C@H]2C1	27636929	ZMMPBZMELZHMIT-GOEBONIOSA-N	245.366	3.156	0	1	BGAF	
COc1cc(O)cc(/C=C/Oc2ccccc2)c1	34639094	HLVOANGXKWIPPP-BQYQJAHWSA-N	242.274	3.451	0	1	BGAF	
c1cc2c(ncc3ncc(C4CCCCC4)n32)[nH]1	88347555	DRLXSJUOTKNTDH-UHFFFAOYSA-N	240.310	3.258	0	1	BGAF	
CCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2	100753856	DWODCBQTCVFXPQ-QMTHXVAHSA-N	226.323	3.249	0	1	BGAF	
Fc1cc2nc(C3=CCCC3)[nH]c2cc1F	586883467	JXIHDDAPOWDPBN-UHFFFAOYSA-N	220.222	3.408	0	1	BGAF	
Cc1ccnc2[nH]c(-c3ccoc3C3CC3)nc12	586902035	SNESJLVPRVNMIH-UHFFFAOYSA-N	239.278	3.404	0	1	BGAF	
O=C1C[C@H]2CC[C@@H]1c1c2nc2cccc3c2c1CC3	587215982	XPKCNLUZPQJSIP-MNOVXSKESA-N	249.313	3.267	0	1	BGAF	
CCC[C@@H](O)CC(=O)CCc1ccc(C)c(C)c1	1911571361	LEHGPOFYEGZZMJ-OAHLLOKOSA-N	248.366	3.356	0	1	BGAF	
CC1=C[C@H](O)CC(C)=C[C@H](O)[C@@H](C(C)C)CC1	2356556844	QNMWLBQJIVQIBA-ZNMIVQPWSA-N	238.371	3.057	0	1	BGAF	
CN1C=N[C@H](c2ccccc2)c2ccccc2C1	13600187	HVOJYMNQNQPIPY-MRXNPFEDSA-N	236.318	3.250	0	1	BGAF	
Cc1noc(C)c1-c1ncnc2c(C)csc12	20909502	XIRBIVGHHLOTDD-UHFFFAOYSA-N	245.307	3.272	0	1	BGAF	
C[C@H]1CCc2ccc(Cl)c(Cl)c2CN1	27552158	XEAHOJNGYGBQTH-ZETCQYMHSA-N	230.138	3.418	0	1	BGAF	
CC(C)=CCc1c2c3c(cccc3oc1=O)CO2	13429331	VWHLJQSPJMDCDE-UHFFFAOYSA-N	242.274	3.194	0	1	BGAF	biogenic
Clc1cccc2c1C=C(C[C@@H]1CN=CN1)CC2	13862054	MBYRWLFNVFMLCK-GFCCVEGCSA-N	246.741	3.060	0	1	BGAF	
CN[C@@H]1Cc2c[nH]c3cccc(c23)[C@@H]1C=C(C)C	14693433	NGJMPUDCQIYVMS-DZGCQCFKSA-N	240.350	3.362	0	1	BGAF	biogenic
CC1=CCC2=C(C)CCC3=C(C)C(=O)O[C@@H]3[C@@H]12	15264847	FRPSUTLKKACGJQ-KBPBESRZSA-N	230.307	3.305	0	1	BGAF	biogenic
CN(C)C/C=C(/c1ccccc1)c1cccnc1	29316100	JQUWEEDFHZIBHG-YBEGLDIGSA-N	238.334	3.075	0	1	BGAF	
Cc1cccc2[nH]c3c(c(=O)c12)CC(C)(C)CC3	72108147	PUUSFSXFHZBEAG-UHFFFAOYSA-N	241.334	3.351	0	1	BGAF	
C/C=C(\C)C1=C2C(OC)=C(C)O[C@@H]2OC(C)=C1	238787143	WAAKKKASQPRMCH-OWNNVSBGSA-N	234.295	3.417	0	1	BGAF	
CCc1c(C(C)=O)nc2cccc3c2c1CC3	587214667	WCEVHSMMKJGXPG-UHFFFAOYSA-N	225.291	3.098	0	1	BGAF	
CC(C)(C)C(=O)N1N=CC[C@H]1C1CCCCC1	1857618314	KWIYLKZUPRGSIC-LBPRGKRZSA-N	236.359	3.200	0	1	BGAF	
CC(=CCC[C@H](C)[C@]1(O)CC=C(C)CC1)CO	2356688739	KNGVJRHBQKQKMD-GJZGRUSLSA-N	238.371	3.203	0	1	BGAF	
COc1ccc(-c2ccc3nccn3c2)cc1	61927151	RSRKBKYTXZLGFU-UHFFFAOYSA-N	224.263	3.010	0	3	BGAF	
CCCC[C@@H]1C(=O)N[C@@H]1/C(C)=C/c1ccccc1	26571456	MPQUYHZSDAQHOL-AMXOMPAFSA-N	243.350	3.395	0	1	BGAF	
COC(=O)c1cccc2c1Nc1ccccc1O2	36222768	DPNDVPDLIPHHBV-UHFFFAOYSA-N	241.246	3.323	0	1	BGAF	
CC[C@@H](Cc1ccc(SC)cc1)NC1CC1	49113808	WWIGSCWWTFIJCJ-LBPRGKRZSA-N	235.396	3.482	0	1	BGAF	in-vivo
O=C(O)C[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@@H]1C2	101450691	LLNOJCXJWAPFDE-HCKVZZMMSA-N	248.297	3.358	0	1	BGAF	
CCCC1(c2nc3cc(OC)ncc3[nH]2)CCC1	586877841	RTFZEYMVTAVAMB-UHFFFAOYSA-N	245.326	3.188	0	1	BGAF	
c1cc2c3c(cc([C@H]4CCCOC4)nc3c1)CC2	587216197	VVDOTHUIFCEPBA-ZDUSSCGKSA-N	239.318	3.227	0	1	BGAF	
C[C@H]1C[C@@](C)(c2ccccc2)O[C@@H](C)O1	13540498	IEZPIUQRQRWIFE-GVXVVHGQSA-N	206.285	3.073	0	1	BGAF	endogenous,in-man
CCCCC[C@@H]1C(=O)CC[C@@H]1CCCC(=O)O	14619968	MQWNXLZVXAQZES-RYUDHWBXSA-N	240.343	3.417	0	1	BGAF	biogenic
C[C@H]1C[C@]23CCCN4CCC[C@@H](C(=O)CC2)[C@]43C1	100017608	RVZXICZITJIXKD-SDADXPQNSA-N	247.382	3.010	0	1	BGAF	in-vitro
NC(=O)Cc1ccccc1-c1ccccc1Cl	118801566	WSKCGVTVPWZGQI-UHFFFAOYSA-N	245.709	3.035	0	1	BGAF	
C/C1=C\C[C@H](O)[C@](C)(O)/C=C/[C@H](C(C)C)CC1	238734522	GHCUEDNOTXRLCD-FEVAJARYSA-N	238.371	3.057	0	1	BGAF	
C=Cc1c2nc3ccccc3c-2c(OC)cn1C	377408387	HALDMLPSECSTJQ-UHFFFAOYSA-N	238.290	3.330	0	1	BGAF	
c1ccc(CC[N@@]2C[C@@H]2c2ccccc2)cc1	1857648906	ZTSNYHQXLQARLW-SJORKVTESA-N	223.319	3.286	0	1	BGAF	
Cn1c(-c2ccco2)ccc1-c1ccc(C=O)o1	1655022	GENUADPBHHEMNF-UHFFFAOYSA-N	241.246	3.358	0	1	BGAF	
COc1ccccc1COCc1ccccc1	78067673	QRRJFVCTYOZKEY-UHFFFAOYSA-N	228.291	3.412	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2C1=CC[C@]1(C)[C@H](O)CC[C@H]21	195379237	MIZURHXEGUWOLO-AEKOTVAKSA-N	248.366	3.099	0	1	BGAF	
N#Cc1ccccc1/C=C/c1ccncc1	216430558	LXFGEEINJGZZRX-AATRIKPKSA-N	206.248	3.124	0	1	BGAF	
CCC=CCCOC(=O)Cc1ccccc1	2356538462	FJKFIIYSBXHBCT-UHFFFAOYSA-N	218.296	3.129	0	1	BGAF	
CCCc1cccnc1Nc1cccc(C)n1	28527597	QHRAEPNDGIDYBL-UHFFFAOYSA-N	227.311	3.481	0	1	BGAF	
CC(C)(Cl)c1nc2cc(F)c(F)c(F)c2[nH]1	587009269	YYIURTLBGLTPQT-UHFFFAOYSA-N	248.635	3.454	0	1	BGAF	
C(=C\c1nc2cnccc2[nH]1)\c1ccsc1	587025874	OVDVCNCXROYCPG-UPHRSURJSA-N	227.292	3.190	0	1	BGAF	
CC(=O)Oc1cc2c(cc1C)OC(C)(C)C=C2	2356721782	OCBCLSLKCICJRX-UHFFFAOYSA-N	232.279	3.105	0	1	BGAF	
CC(C)C/C(NO)=C1\C=Nc2ccccc21	103865347	QGFOGQZKKZAOCD-QBFSEMIESA-N	216.284	3.139	0	3	BGAF	
CCOC1=C(c2ccccc2)N2CCCC[C@@H]2O1	1647043	MLJYIBWSHNAXMA-ZDUSSCGKSA-N	245.322	3.191	0	1	BGAF	
C[n+]1cc(Nc2ccccc2)cc2ccccc21	66166232	CUQOBTGJPHPVRQ-UHFFFAOYSA-N	235.310	3.408	0	1	BGAF	
CC[C@@H](C)Oc1nccc2[nH]nc(C3CC3)c12	114771557	ZVRBCNZRHUJABS-MRVPVSSYSA-N	231.299	3.013	0	1	BGAF	
COC(=O)/C=C\c1ccc(OCC=C(C)C)cc1	212380540	DBMLKNYVORYESN-TWGQIWQCSA-N	246.306	3.218	0	1	BGAF	
C[C@@H](O)CCCCCCCC/C=C/C(=O)O	219951804	QQMDRBATPLAFPG-LMMOQWNQSA-N	228.332	3.129	0	1	BGAF	in-vitro
CN[C@@H](Cc1ccccc1N)c1sccc1C	5161426	NYBKYOYUKBCNAB-ZDUSSCGKSA-N	246.379	3.142	0	1	BGAF	
c1coc(-c2nc(CN3CCCCCC3)co2)c1	72183832	OXZOIQUSXFZXKB-UHFFFAOYSA-N	246.310	3.311	0	1	BGAF	
CC1=CC2=C(COC2=O)C[C@@H]2CC(C)(C)C[C@H]12	85994876	NASDWPJXAPXLON-ZWNOBZJWSA-N	232.323	3.242	0	1	BGAF	biogenic,in-vitro
CCCC/C=C/c1nc2cc(C)cnc2[nH]1	587966134	SEPSFFNDUYSSLV-VOTSOKGWSA-N	215.300	3.470	0	1	BGAF	
CC1=CC[C@H]([C@@](C)(N)CC=CC(C)(C)O)CC1	2356377610	GFOFMQYXBNROPZ-ZFWWWQNUSA-N	237.387	3.167	0	1	BGAF	
CCCN1CCC[C@@H]2c3ccc(O)cc3CC[C@@H]21	26275285	BGWNOOWFGJBORE-CVEARBPZSA-N	245.366	3.296	0	1	BGAF	
Cc1cc2c(cc3c4c(cccc42)NC3=O)[nH]1	28704520	ACTSTIBGWRUXHI-UHFFFAOYSA-N	222.247	3.195	0	1	BGAF	in-vivo
Cc1c(-c2ccccc2)[nH]c2ccc(C(=N)N)cc12	28764399	FQKKZUSOCFSCJS-UHFFFAOYSA-N	249.317	3.427	0	1	BGAF	
COc1ccc2c(c1)-c1nccc3ccnc-2c13	72108886	WHFAOUCEPORYER-UHFFFAOYSA-N	234.258	3.286	0	1	BGAF	
Nc1cccc(/C=C/c2ccc(O)cc2)c1	148327019	IRUQHBVBDFCTEK-SNAWJCMRSA-N	211.264	3.145	0	1	BGAF	
CCc1c(SC)c2cnccn2c1SC	653842802	XQAPJDBVVGKIQA-UHFFFAOYSA-N	238.381	3.341	0	1	BGAF	
O=C1NC2(CCCCC2)[C@@H]2CCCCC[C@H]12	1619814	YSQPZBDEMHFNCQ-NWDGAFQWSA-N	221.344	3.016	0	1	BGAF	
CCCCCCC(=O)c1nc2ncccc2o1	72107225	KSPSKZGQBVOZTI-UHFFFAOYSA-N	232.283	3.376	0	1	BGAF	
CC1=C2[C@@H]3OC(=O)[C@@H](C)[C@@H]3CC[C@@]2(C)CCC1	114037078	IVACOVAJGWWAAS-HTTKSJEASA-N	234.339	3.465	0	1	BGAF	
CC(=CCC[C@]1(C)O[C@@]2(C)CC[C@H]1[C@H]2C)CO	2356592935	PXVKOXQKGLNFDE-QPSCCSFWSA-N	238.371	3.299	0	1	BGAF	
C[C@@H]1CC[C@@]2(C)CC[C@H]3C[C@@]2(OC3(C)C)[C@H]1O	2356769532	HHKGADPXFMXMQZ-FUQNVFFISA-N	238.371	3.131	0	1	BGAF	
CC[C@H](C)CCCCC1=C[C@@H](C)OC1=O	14592369	WNNWZLRNFSNZOJ-WDEREUQCSA-N	210.317	3.465	0	1	BGAF	biogenic
CC(=O)CC[C@H]1C(=O)C(=C(C)C)CC[C@H]1C	14615478	AITZTJGBRHUSDK-ZWNOBZJWSA-N	222.328	3.307	0	1	BGAF	biogenic
CCN(CC)C[C@H]1C[C@@H]1c1ccccc1OC	27411686	ZBTKOZJTWIZSRF-OCCSQVGLSA-N	233.355	3.141	0	1	BGAF	
C[n+]1ccc(CCc2cccc3ccccc23)cc1	27881797	NNTLYJARCZQNBI-UHFFFAOYSA-N	248.349	3.450	0	1	BGAF	
CN1C2Cc3ccccc3C1(C)c1ccccc1C2	27892211	FFFYWWXJQLAXAE-UHFFFAOYSA-N	249.357	3.363	0	1	BGAF	
CC/C=C\C=C\C=C/C[C@H](OC)[C@H](C)NC	238780468	OZYMABBRNUUXQX-GIPTWAPYSA-N	223.360	3.078	0	1	BGAF	
c1ccc(-c2cc3c4c(cccc4n2)CC3)nc1	587211713	HYVGNUPIMSSORG-UHFFFAOYSA-N	232.286	3.395	0	1	BGAF	
CN[C@]12CCCC[C@H]1CCc1ccc(OC)cc12	13831975	ZQHRQDBVWWEKHW-XJKSGUPXSA-N	245.366	3.246	0	1	BGAF	
CCCCC[C@@H](C/C=C/CCC(=O)O)OC	14449153	KBMNVOKQUUZFOO-PZBABLGHSA-N	228.332	3.393	0	1	BGAF	
C[C@H]1CCc2c1nc1cccc3c1c2CC3	587214789	YVSKZHMLENJQNX-VIFPVBQESA-N	209.292	3.383	0	1	BGAF	
C[C@@H]1C=CC[P@](=O)(Oc2ccccc2)O1	13661062	VRRAPTMZOFNJNR-MEBBXXQBSA-N	224.196	3.233	0	3	BGAF	
Cc1cc(O)cc(O)c1[C@@H](C)c1ccc(O)cc1	13335232	KRXSLUWZEBPRRR-JTQLQIEISA-N	244.290	3.264	0	1	BGAF	biogenic
CCCCN1/C(=C/C(=O)O)Sc2ccccc21	13553212	XGDWJASSVARNLA-XFXZXTDPSA-N	249.335	3.325	0	1	BGAF	
CCCN1CCc2cccc3c2[C@H](CCC3)C1	27716760	BJNZWVBFLRDDPB-OAHLLOKOSA-N	229.367	3.375	0	1	BGAF	
CC(C)CC[C@@H]1OC(=O)c2ccccc21	28957497	NXTSGCWTACCXAZ-LBPRGKRZSA-N	204.269	3.334	0	1	BGAF	
CC1(C)CCC[C@@]2(C)[C@H]3C[C@H]4[C@@H]([C@H]31)[C@]42C(=O)O	2356515389	NFPKGQOIPZZCMT-HJYYPVAISA-N	234.339	3.170	0	1	BGAF	
C[C@@H]1CN(C)[C@@H]2CCC[C@@]1(c1cccc(O)c1)C2	29477165	PQXPFPOEHHHJSJ-XNRPHZJLSA-N	245.366	3.154	0	1	BGAF	
C1=C(c2nccc3c2[nH]c2ccccc23)NCC1	157277945	CXNHVNFEVPYHTK-UHFFFAOYSA-N	235.290	3.050	0	1	BGAF	
Oc1csc(=S)n1CCc1ccccc1	169685197	OOQVCRRYDGIYEJ-UHFFFAOYSA-N	237.349	3.227	0	1	BGAF	
CC(C)[C@@H](O)CCC=CC=CC(C)(C)[C@@H](C)O	2356843646	NNWCXCVXEGPTMN-KGLIPLIRSA-N	240.387	3.303	0	1	BGAF	
C[n+]1ccc(-c2cccc(C(F)(F)F)c2)cc1	29135421	VCROAADOBOBTPF-UHFFFAOYSA-N	238.232	3.197	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@@H](CC)CC2=O	587480487	KVZGJMZFJJQKER-VIFPVBQESA-N	234.295	3.089	0	1	BGAF	
CCCC/C=C\c1nc2ccc(CCO)cc2[nH]1	587965314	JPSWOXMQIZFYTI-WAYWQWQTSA-N	244.338	3.301	0	1	BGAF	
CC(C)CNc1cnnc2c(Cl)cccc12	6738748	PEMGETKKPXYIQZ-UHFFFAOYSA-N	235.718	3.351	0	1	BGAF	
Cc1cc(C(C)C)[n+](-c2cc[nH]n2)c(C(C)C)c1	13472108	RKUQWIPDLCIVJW-UHFFFAOYSA-N	244.362	3.242	0	1	BGAF	
Oc1ccc(COC2CCCC2)c2cccnc12	36380697	SGXLPZJMOIYRAY-UHFFFAOYSA-N	243.306	3.400	0	1	BGAF	
CC(=S)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	299884141	SOCGROLMYUCUSI-PZWNZHSQSA-N	210.342	3.175	0	1	BGAF	
CCCCC[C@H](CCCCCN)OC(=O)O	584905349	BLHICXSRHDZESY-LLVKDONJSA-N	231.336	3.149	0	1	BGAF	in-vitro
c1cc2c3c(c([C@@H]4CCCOC4)cnc3c1)CC2	587215173	CMUBMDDOHIHTEL-GFCCVEGCSA-N	239.318	3.227	0	1	BGAF	
C[C@@H]1CCC[C@]2(O)[C@@H]1[C@H]1CC[C@@]2(C)OC1(C)C	2356713428	IMOIQZWBHGLKFZ-AMVBZWJASA-N	238.371	3.131	0	1	BGAF	
CCCCn1nc2ccccc2c1OCC	206038646	AGMFBUXZQLNLJF-UHFFFAOYSA-N	218.300	3.235	0	3	BGAF	
CC1(C)CC(=O)C(C(=O)c2ccccc2)=C(O)C1	287380	PWDCLHVZSBZFRI-UHFFFAOYSA-N	244.290	3.071	0	1	BGAF	biogenic
C[C@@H]1CCN(C)C12C1CC3CC(C1)CC2C3	3639995	VYTIURBPIKNTHQ-IBEXFIOLSA-N	219.372	3.153	0	1	BGAF	
CN(C)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	13777640	KKSJGIYHSAGVMJ-AKJUYKBHSA-N	207.361	3.297	0	1	BGAF	
CC(=O)n1ccc2cc(-c3cccnc3)ccc21	169348885	MYHBLSHQWVTDMP-UHFFFAOYSA-N	236.274	3.363	0	1	BGAF	
c1c[nH]c(-c2cc3c4c(cccc4n2)CC3)c1	587212237	QYPOWGXBKUOKOL-UHFFFAOYSA-N	220.275	3.329	0	1	BGAF	
Cc1c(F)ccc2nc([C@@H](N)C(C)(C)C)[nH]c12	587257904	QNZBMOZDHLFNDN-LLVKDONJSA-N	235.306	3.056	0	1	BGAF	
Cc1c(-c2cncn2C)[nH]c2cc(F)ccc12	587636171	TYWOTJWTVIAYEH-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
CC1(C)CCCC2=C[C@@H](O)[C@@](C)(O)CC[C@]21C	2356528959	NWAVEWPQEPBQBN-YUELXQCFSA-N	238.371	3.035	0	1	BGAF	
CCC=CCCCC=CC(=O)NCC(C)C	2356669019	KAKMBGZLFLCIHF-UHFFFAOYSA-N	223.360	3.451	0	1	BGAF	
COc1ccccc1-c1cccc2nccn12	61927035	MNMYYQGHXIPGSS-UHFFFAOYSA-N	224.263	3.010	0	3	BGAF	
Cc1ccc2c(c1C)O[C@@](C)(CCC(=O)O)CC2	12495328	WTGHQIKMADLFAH-OAHLLOKOSA-N	248.322	3.252	0	1	BGAF	endogenous,in-man
c1ccc(N2N=NC[C@@H]2c2ccncc2)cc1	26170462	UAMXZTLGCHJSOJ-CYBMUJFWSA-N	224.267	3.010	0	1	BGAF	
CN1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)cc1)C2	27424835	GIBMVDGLFWHJMW-YNEHKIRRSA-N	221.731	3.290	0	1	BGAF	
C[C@H]1CC[C@@H](Oc2cccc3ccc(N)nc23)C1	28383614	XSBYTVRYECCAPQ-CMPLNLGQSA-N	242.322	3.384	0	1	BGAF	in-vivo
CC(=S)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12	36378565	SOCGROLMYUCUSI-ZIQFBCGOSA-N	210.342	3.175	0	1	BGAF	
Nc1nccc2ccc(-c3cccc(O)c3)cc12	45195447	IBRSGGHXUCPIFB-UHFFFAOYSA-N	236.274	3.190	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@H](CC[C@H](O)[C@@H]1C)C2	105170447	UIWPDJPOLFTUJI-WJNVRWDZSA-N	234.339	3.100	0	1	BGAF	
C[C@@H]1CCCc2c(C=O)cc3c(CO)coc3c21	2356636618	NZMGDAUZVBYQMV-SECBINFHSA-N	244.290	3.177	0	1	BGAF	
CC(C)[C@H]1CC[C@]2(C)C[C@@H](O)[C@@]3(C)CC[C@@]12O3	5731858	VLIUMVVQGMLOJG-KJWHEZOQSA-N	238.371	3.131	0	1	BGAF	endogenous,in-man
CCC(C)(CC)c1cccc(OC(=O)NC)c1	84652233	IPRLOCRFPGTUHW-UHFFFAOYSA-N	235.327	3.483	0	1	BGAF	
CCC[C@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446263	VPNASDIKVQPNNS-ABAIWWIYSA-N	246.306	3.001	0	1	BGAF	
CCCC[C@@H]1CC(=O)c2ccc(F)cc2N1	1857656040	QTIDNPOHJYPZBZ-SNVBAGLBSA-N	221.275	3.383	0	1	BGAF	
Cc1c(O)cc(CCCCCC(C)C)oc1=O	2356713046	XBXAMVSAUCSTBI-UHFFFAOYSA-N	238.327	3.413	0	1	BGAF	
CC1=C[C@@H]2[C@H](C=CC[C@@H]2C(C)C)C[C@@H]1O	2356794747	LJDAGECYYBEJHA-SYQHCUMBSA-N	206.329	3.162	0	1	BGAF	
CCCN(CCC)[C@@H]1CCn2cc(C)cc2C1	13642085	SPZKFYULWLAAQF-CQSZACIVSA-N	234.387	3.233	0	1	BGAF	
CCCCN1CCC[C@@H](c2cccc(O)c2)C1	13651755	ITXBDHMIXPKNIE-CQSZACIVSA-N	233.355	3.372	0	1	BGAF	
Cc1ncn(-c2c(C)[nH]c3cc(F)ccc23)c1C	587636384	ZLNFQIPCSSZXKE-UHFFFAOYSA-N	243.285	3.418	0	1	BGAF	
CC(C)C(=O)O[C@H]1C[C@H]2CC[C@H]1C2(C)C	2356765609	DETIUJFRMROGKX-MXWKQRLJSA-N	210.317	3.010	0	1	BGAF	
CCCCC[C@@H](O)CCC[C@@H](O)CCC	2356767932	IRLMVYZJMDTAIH-QWHCGFSZSA-N	216.365	3.259	0	1	BGAF	
CCOC(=O)[C@@H]1CCCC1=Cc1ccccc1	2356830331	JGUKAETUJYGOPO-CQSZACIVSA-N	230.307	3.433	0	1	BGAF	
Oc1cccc2cc(-c3ccncc3)cnc12	61942089	DKCWJRKSDJZRQP-UHFFFAOYSA-N	222.247	3.002	0	3	BGAF	
O=C(c1ccccc1)c1cccc2cc(O)[nH]c12	167546524	NVTFTHFDTVFHSJ-UHFFFAOYSA-N	237.258	3.105	0	1	BGAF	
Cc1c(-c2cnn(C)c2C)[nH]c2cccc(F)c12	587636091	QHRIGZZKURZASR-UHFFFAOYSA-N	243.285	3.324	0	1	BGAF	
CC(=O)CC[C@@H]1C(=O)C(=C(C)C)CC[C@@H]1C	14615481	AITZTJGBRHUSDK-GWCFXTLKSA-N	222.328	3.307	0	1	BGAF	biogenic
COc1ccc2ccc(=O)oc2c1CCC(C)C	29484073	JUCKDULTLYEHAA-UHFFFAOYSA-N	246.306	3.390	0	1	BGAF	
C/C=C/C=C/C=C/C=C/C(=O)N1C=CCCC1	238753823	JLBTYPJRECBOEI-SKVHLDJISA-N	229.323	3.367	0	1	BGAF	
C[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@H]2C1	254132989	RAGBGCLEOLTWAD-IAQYHMDHSA-N	240.350	3.497	0	1	BGAF	
NO[C@H](CCc1ccccc1)c1ccccc1F	1857556291	BGMXSJROGALBRL-OAHLLOKOSA-N	245.297	3.390	0	1	BGAF	
CCCC=CCCCC[C@H](OC(C)=O)[C@H](C)N	2356788312	CBOFPIBXDPMNTN-JSGCOSHPSA-N	241.375	3.182	0	1	BGAF	
CC(C)(C)C1=Nc2ccccc2/C1=C/NO	104026112	VRQSVDIWQWCXKK-NTMALXAHSA-N	216.284	3.139	0	3	BGAF	
CC(=O)c1ccc(C)cc1[C@@H](CC(=O)O)C(C)C	39122194	OQPZYAGHFVDHND-ZDUSSCGKSA-N	248.322	3.412	0	1	BGAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@H]2CCC=C[C@@H]12	95913775	GIOSSFCGQAGYSG-XUXIUFHCSA-N	208.345	3.386	0	1	BGAF	biogenic,in-vitro
Cc1cc2nc(C(C)(C)Cl)[nH]c2cc1F	587007904	IKNPFBOUQUMQJC-UHFFFAOYSA-N	226.682	3.484	0	1	BGAF	
C/C(=C\c1cc(-c2ccc(C)cc2)co1)C(N)=O	653740614	CSUIQENTIBAUIM-YRNVUSSQSA-N	241.290	3.144	0	1	BGAF	
Cc1ccc(Nc2c(N)oc3cnccc23)cc1	1857770054	QDQMVCIGHABPCL-UHFFFAOYSA-N	239.278	3.462	0	1	BGAF	
C[C@@H]1CC(=CC(C)(C)O)[C@H](C(=O)c2ccoc2)C1	2356467386	OIRMTEOVICFHJP-ZWNOBZJWSA-N	248.322	3.206	0	1	BGAF	
CN1CC=C(Oc2ccc3ccccc3c2)CC1	13651686	VLCKLYLMNZACHZ-UHFFFAOYSA-N	239.318	3.438	0	1	BGAF	
C[C@]12N[C@H](Cc3ccc(F)cc31)c1ccccc12	27892660	AQCDEBMTYPJJSD-HZPDHXFCSA-N	239.293	3.290	0	1	BGAF	
COc1cccc(F)c1Nc1cccc(C)n1	28528757	RGQKYXAKGVQBCC-UHFFFAOYSA-N	232.258	3.281	0	1	BGAF	
C/C=C\C=C/CCc1c(O)ccc(O)c1COC	238758833	VIRRSSOWRCQPPA-OUPQRBNQSA-N	248.322	3.309	0	1	BGAF	
Cc1occc1-c1nnc(-c2ccccc2O)o1	299865481	TZRVYIUVKYPLOP-UHFFFAOYSA-N	242.234	3.011	0	1	BGAF	
CC(C)[C@@H]1C=C[C@H](C)[C@]23CC[C@](C)(O)[C@@H]2[C@@H]13	2356331611	LMCRYOCEDDKMQA-LOVFCKMRSA-N	220.356	3.242	0	1	BGAF	
CCCCCn1nc2ccccc2c1OC	206038718	JBVRQLGSIRSWJR-UHFFFAOYSA-N	218.300	3.235	0	3	BGAF	
CCCCC[C@H]1C(=O)CC[C@H]1CCCC(=O)O	14619969	MQWNXLZVXAQZES-VXGBXAGGSA-N	240.343	3.417	0	1	BGAF	biogenic
Cc1ccc(O)c2[nH]c(-c3ccccc3)nc12	26276503	ZBJAINSUEBFZFS-UHFFFAOYSA-N	224.263	3.244	0	1	BGAF	
Fc1ccc(/N=c2\ssnc2Cl)cc1	39122089	GMPLQDWACPFCAF-FLIBITNWSA-N	246.719	3.230	0	1	BGAF	
O=C(c1ccccc1)c1cc2cc(O)ccc2[nH]1	66099165	ZMSCEHSKXHEOET-UHFFFAOYSA-N	237.258	3.105	0	1	BGAF	
c1ccc(-c2ccc(Cc3cncnc3)cn2)cc1	96282874	YDOLRMXQHPZXPF-UHFFFAOYSA-N	247.301	3.129	0	1	BGAF	
Nc1snc2cc(-c3ccsc3)cnc12	223260409	QQQURLMDMZMJRX-UHFFFAOYSA-N	233.321	3.002	0	1	BGAF	
CC[C@@H](C)/C=C(\C)c1cc(OC)c(C)c(=O)o1	238772724	LTIPOSPLWJFHFJ-YIXGCBLDSA-N	236.311	3.406	0	1	BGAF	
Cc1cc(F)c2[nH]c([C@@H](O)CC(C)C)nc2c1	586900720	JZNBOJSQAHPATH-NSHDSACASA-N	236.290	3.090	0	1	BGAF	
Cc1nccc2[nH]c(-c3ccc(F)c(F)c3)nc12	587145954	WQWONPRHBKMVSS-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
CC1=CC[C@@H]([C@@](C)(O)CC=CC(C)(C)O)CC1	2356388579	KHPLSAWGYMTNML-HIFRSBDPSA-N	238.371	3.201	0	1	BGAF	
CC(=O)[C@H]1[C@H]2CC(=O)C[C@@]2(C)CCCC1(C)C	14413014	MMKGCZLPPJRCFV-VNHYZAJKSA-N	236.355	3.387	0	1	BGAF	
COc1ccc2c(c1)CC(c1cccnc1)=C2	38258990	YBJHXDNSHCRCTC-UHFFFAOYSA-N	223.275	3.187	0	1	BGAF	
CC(C)(C)[C@H](N)Cc1cc(F)c(F)cc1F	40379098	KXGJVQJEBXDTOU-LLVKDONJSA-N	231.261	3.020	0	1	BGAF	
CC[C@H](C)[C@H]1N[C@H](C)S[C@H](C)S1	95620595	WONMKWKUDGYZEA-JBDRJPRFSA-N	205.392	3.120	0	1	BGAF	in-man
O=NC=C1C=CN(CCc2ccccc2)C=C1	197959808	DOSFGBKNDCIQHJ-UHFFFAOYSA-N	226.279	3.222	0	1	BGAF	
COCc1coc2c1CC1=C(C)[C@@H]3C[C@H]3[C@H]1C2	2356776401	HMRQYESDBHCVBM-YUTCNCBUSA-N	230.307	3.107	0	1	BGAF	
Cc1c(C)c2c(c3c1C(=O)C(=O)N3)[C@@H](C)C[C@@H]2C	2356790566	FSGQJQMRIIPDRW-BQBZGAKWSA-N	243.306	3.049	0	1	BGAF	
CCCN(c1ccncc1)n1cccc1Cl	13745996	DXUBLNCNQLMUAY-UHFFFAOYSA-N	235.718	3.216	0	1	BGAF	
CC(C)C/C=C1\OC(=O)c2ccccc21	14590814	LLCYNDRFWDIIQS-WQLSENKSSA-N	202.253	3.244	0	1	BGAF	endogenous,in-man
CC1=C[C@@H]2C[C@]3(C=COC3=O)C(C)(C)[C@@H]2CC1	15273509	HWHSQYHUXOMAFF-JMSVASOKSA-N	232.323	3.446	0	1	BGAF	biogenic
COC(=O)c1ccc2n1C1C[C@@H]3CC2C[C@H](C1)C3	18130775	MRWCFDRJSCBATG-ZYANWLCNSA-N	245.322	3.123	0	1	BGAF	
C/C1=C\[C@H](O)C/C(C)=C/[C@H](O)[C@H](C(C)C)CC1	40872519	QNMWLBQJIVQIBA-WNZMXVTFSA-N	238.371	3.057	0	1	BGAF	
CC1(C)[C@@H]2CCC[C@@H]3CC[C@](C)(O)[C@H]3[C@@H]21	85648298	RWCYAQCZBPFTTA-SKENRDBWSA-N	208.345	3.220	0	1	BGAF	biogenic,in-vitro
Cc1c(-c2cnn(C)c2)nc2cccc3c2c1CC3	587211270	OFFGLHAMSJZKEJ-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
c1ccc(-c2cncnc2-c2ccco2)cc1	653899231	SFAPHXXWAGXMHQ-UHFFFAOYSA-N	222.247	3.404	0	1	BGAF	
COc1ccc2c(c1)[C@]1(C)CC[C@@H](O)C[C@H]1CC2	2356482024	FMZYZILCSUARND-XJKCOSOUSA-N	246.350	3.060	0	1	BGAF	
c1ccc(N2[C@@H]3[C@H]4C[C@@H]([C@@H]5CCC[C@H]45)[C@H]32)cc1	104292278	YFWARTKNDZZMCY-QVPFKICYSA-N	225.335	3.310	0	3	BGAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]21CC=C3CO	13384344	FUZABTYGEVJEPT-IKVITTDRSA-N	220.356	3.387	0	1	BGAF	
CC(C)(C)CCOCCCN1CCCCC1	13491003	ZTYVJNYCCVFJGR-UHFFFAOYSA-N	227.392	3.315	0	1	BGAF	
CC1=COC=C[C@]2(C)C=C3OC(=O)C(C)=C3C[C@H]12	14710531	ASHFJTARVFWHHX-IUODEOHRSA-N	244.290	3.218	0	1	BGAF	biogenic
Cc1c2oc(c1C)CCC(=O)OCCCCC2	15119703	WLZAQMWDLSAMIH-UHFFFAOYSA-N	236.311	3.099	0	1	BGAF	
CNc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	95558142	QTUXRXIESCTLGI-NSCUHMNNSA-N	241.290	3.310	0	1	BGAF	
NC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1cccc(Cl)c1	100822756	IRNIZNAXVXVLJU-DTCNJJKHSA-N	235.758	3.428	0	1	BGAF	
O=c1c(/C=C\c2cccnc2)coc2ccccc12	103232377	FFRRBHYPVWBHIY-FPLPWBNLSA-N	249.269	3.358	0	1	BGAF	
Oc1cccc2nc(-c3ccoc3C3CC3)[nH]c12	586900512	AJRYEINPYBEASS-UHFFFAOYSA-N	240.262	3.406	0	1	BGAF	
Cc1ccc2nc(C3(F)CCCCC3)[nH]c2n1	587133140	YLZHVJTVOPQZNO-UHFFFAOYSA-N	233.290	3.395	0	1	BGAF	
CC(=O)c1c(C(F)F)[nH]c2cc(F)ccc12	587634016	PMNLWEUGWCSMOD-UHFFFAOYSA-N	227.185	3.447	0	1	BGAF	
Nc1ccnc2[nH]c(CC3CCCCCC3)nc12	587960075	FDTOMKNVBZTYAD-UHFFFAOYSA-N	244.342	3.053	0	1	BGAF	
OCC[C@@H]1CCC[C@@H](c2ccc(O)cc2)CC1	1857769917	ZOGLPNHOAMLKAP-CHWSQXEVSA-N	234.339	3.439	0	1	BGAF	
CC1=C[C@]2(O)O[C@@]3(CC2=C(C)C)[C@H]1CC[C@H]3C	5822661	ISFMXVMWEWLJGJ-OSRDXIQISA-N	234.339	3.177	0	1	BGAF	in-man
CCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2	27101646	DWODCBQTCVFXPQ-IINYFYTJSA-N	226.323	3.249	0	1	BGAF	
CN(c1ccccc1)[C@]12CCC[C@@H](CC(=O)C1)C2	169368991	VAEQXUDYNZRRJH-BBRMVZONSA-N	243.350	3.415	0	1	BGAF	
C[C@@H]1N(C)[C@@H]2CCC[C@]1(c1cccc(O)c1)[C@H]2C	256069429	CFFHIFVCBLNHRE-RKLWJJNISA-N	245.366	3.153	0	1	BGAF	
C[C@H](N=O)c1ccc(Br)s1	958032097	UKHCFLBLIKZFRU-BYPYZUCNSA-N	220.091	3.338	0	1	BGAF	
CN(C)[C@@H]1CCCC[C@H]1Cc1ccccc1	29323464	MGEXESJZGKIMMK-LSDHHAIUSA-N	217.356	3.350	0	1	BGAF	
CCCC1(c2nc3ccnc(OC)c3[nH]2)CCC1	586877874	UHTGDURSYFKVLB-UHFFFAOYSA-N	245.326	3.188	0	1	BGAF	
C[C@@H]1CC[C@H](NC=O)[C@]2(C)CC[C@@H]3[C@H]([C@H]12)C3(C)C	2356801393	QOLAWXMBCTVDSR-DKTZCXADSA-N	249.398	3.219	0	1	BGAF	
O=N/C(=C1\C=CC=CN1)[C@@H]1C[C@H]1c1ccccc1	103918969	YQVURMCSNDHQOF-QUFAOJHZSA-N	238.290	3.441	0	3	BGAF	
CCCC(=O)OCC[C@@H](CCC)SC	14589065	CPZRKTMCYSRJPH-SNVBAGLBSA-N	218.362	3.252	0	1	BGAF	endogenous,in-man
COc1cc2c(cc1C)C(=O)CC[C@H]2C	34563042	JUSSIJFTWFUOLF-MRVPVSSYSA-N	204.269	3.084	0	1	BGAF	
Cc1ccc(-c2ccc([C@@H](N)N=O)cc2)cc1	957756721	KNOOUNDAKWZJKC-AWEZNQCLSA-N	226.279	3.386	0	1	BGAF	
c1ccc2c(c1)CCN1CCc3ccccc3[C@H]1C2	31862111	AOTXLNGFBJHXLM-GOSISDBHSA-N	249.357	3.385	0	1	BGAF	
C[C@H]1CCO[C@H](c2nc3ccc(F)cc3[nH]2)C1	586916600	AUUYNNCARUGPQU-UFBFGSQYSA-N	234.274	3.190	0	1	BGAF	
Oc1cc2c(cc1Oc1ccccc1)OCC2	25975078	CFKFNPCVGWZCRQ-UHFFFAOYSA-N	228.247	3.119	0	1	BGAF	
C/C(Br)=C1/CC[C@H](C(C)C)C(=O)O1	29208823	ZAMIZDLDSUXLBT-KGOFQHAKSA-N	247.132	3.222	0	1	BGAF	
CC=C=CCN(C)[C@H](C)c1ccccc1	29340479	GZAVCCSXCPNMJG-VVUQYOEASA-N	201.313	3.411	0	1	BGAF	
CC1=CC[C@H]2[C@@H](OC(=O)C(C)C)[C@@H]1C2(C)C	34951161	OSMPHXXLRXFVBK-QJPTWQEYSA-N	222.328	3.176	0	1	BGAF	
Clc1ccc2c3c([nH]c2c1)-c1n[nH]cc1CC3	38765243	NAPPSJULDWFFQV-UHFFFAOYSA-N	243.697	3.310	0	1	BGAF	
Cc1coc2c1[C@H]1CC(=CC=C[C@@H](C)C2)C(=O)O1	2356597218	ZJTDAKVMLPHOPD-NOZJJQNGSA-N	244.290	3.251	0	1	BGAF	
O=c1cc(-c2ccccc2Cl)c2c([nH]1)CCC2	8772887	BELIUNVLICTPMN-UHFFFAOYSA-N	245.709	3.184	0	3	BGAF	aggregator
Cc1cc(-c2noc3cc(O)ccc23)ccc1O	3819168	OQEKDDUAVUDQDZ-UHFFFAOYSA-N	241.246	3.214	0	1	BGAF	
CCN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	27649497	KAGFQWDGGDLRJU-BJJXKVORSA-N	227.351	3.478	0	1	BGAF	
CC[C@H](C)Cc1cccc([C@@H](C)C(=O)O)c1	28467404	MKEVMCJZLHDVPO-WDEREUQCSA-N	220.312	3.463	0	1	BGAF	in-vivo
CCCCN(C(=O)C(C)C)c1nc(C)c(C)o1	39246427	ZUEWNNXEWZDFCD-UHFFFAOYSA-N	238.331	3.081	0	1	BGAF	
CC1(C)CC/C(=C/Cc2ccc(O)cc2O)CO1	14825377	DPEGXDIIQWTEMC-JYOAFUTRSA-N	248.322	3.156	0	1	BGAF	
Cc1cccc2c1OCN(c1ccc(F)cc1)C2	49088098	AJXPMMZXKSFMII-UHFFFAOYSA-N	243.281	3.491	0	1	BGAF	
Fc1cccc(C2=NO[C@@H]3CCCC[C@H]23)c1	95575568	PKWQJBJHZHZWHD-NWDGAFQWSA-N	219.259	3.119	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)[C@@H]3CC=C(CO)[C@@H]2[C@H]13	101562380	JIXPRNKLOIEGFI-NJVJYBDUSA-N	220.356	3.243	0	1	BGAF	
CCCCOC(=O)NCSc1ccccc1	103286376	OCUOLAFSYHMOBS-UHFFFAOYSA-N	239.340	3.263	0	1	BGAF	
CC(C)Oc1ccc(Cl)cc1[C@@H]1C[C@H]1CN	299853969	SBUGRSZWKNBMEV-GXSJLCMTSA-N	239.746	3.189	0	1	BGAF	
CC[C@@H](C)C[C@@H](C)c1cc(O)c(C)c(=O)o1	2356868961	XGKUCWRDDUBLFW-RKDXNWHRSA-N	224.300	3.194	0	1	BGAF	
CN(c1ccccc1)[C@@]12CCC[C@@H](CC(=O)C1)C2	29410368	VAEQXUDYNZRRJH-XJKSGUPXSA-N	243.350	3.415	0	1	BGAF	
C[C@H](CCCCCCCCC(=O)O)CC(=O)O	38789150	LFRDJQLRELTNCX-LLVKDONJSA-N	244.331	3.303	0	1	BGAF	
O=C1C=CC[C@H](Cc2ccc3ccccc3c2)O1	72124598	PHZFNSLJRYAEJQ-OAHLLOKOSA-N	238.286	3.254	0	1	BGAF	
C=Cc1ncc(O)c2c1[nH]c1c(OC)cccc12	103222942	NGXCJEVFPJQELM-UHFFFAOYSA-N	240.262	3.073	0	1	BGAF	
Cc1ccc(-c2nc3cc(N)ccc3nc2C)cc1	223516314	VEQMUAIQPTXBEN-UHFFFAOYSA-N	249.317	3.496	0	1	BGAF	
Cc1c(-c2cn[nH]c2)nc2cccc3c2c1CC3	587212152	OUHMRQWIVAZEOY-UHFFFAOYSA-N	235.290	3.032	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C1(C)CCC1)O2	587404323	DOGMETBDLWPXKX-CYBMUJFWSA-N	245.322	3.101	0	1	BGAF	
CCCC[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446590	ZNOBLXWORUYWCP-NWDGAFQWSA-N	246.306	3.001	0	1	BGAF	
CC[C@@H](C)c1nc2cc(OC)c(C)cc2[nH]1	587955897	LZGPFZUNRLHDFB-MRVPVSSYSA-N	218.300	3.393	0	1	BGAF	
C[C@]12CCCC[C@H]1c1ccccc1C(=S)N2	2491988	CHHPICQFFAHDGN-JSGCOSHPSA-N	231.364	3.382	0	1	BGAF	
COc1c2oc(=O)c(C)cc2cc2c(C)coc12	6070484	INHFGZBONLVXLR-UHFFFAOYSA-N	244.246	3.165	0	1	BGAF	
CC1=C(Cc2cnc[nH]2)CCc2cc(O)ccc21	14946262	QCJQPRFLMJEUJL-UHFFFAOYSA-N	240.306	3.078	0	1	BGAF	
N[C@@H]1C[C@@H]2C[C@@H]1c1c2cccc1C(F)(F)F	100698513	DWTIJUCLQLHTSN-KADJCCMJSA-N	227.229	3.007	0	1	BGAF	
c1ccc(CNC23C[C@@H]4CC(C[C@H](C4)C2)O3)cc1	101509535	YRARHZZXNYBCEZ-FXQLRMTLSA-N	243.350	3.081	0	1	BGAF	
CC1(C)CC(=O)[C@@H]2CNc3ccccc3N=C2C1	138730678	KEGLVBMAKYUVBP-SNVBAGLBSA-N	242.322	3.190	0	1	BGAF	
CC1=CCC2=C(C)C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@H]12	238771755	YISJXQMPYGFTOW-YXCITZCRSA-N	232.323	3.241	0	1	BGAF	
c1cc2c3c(cc(C[C@H]4CCCO4)nc3c1)CC2	587215097	BEWRYLLDPYAWMV-CQSZACIVSA-N	239.318	3.055	0	1	BGAF	
CCCC[C@H]1CC(=O)c2cc(OC)ccc2N1	1857652699	BOJAZPOUMPGQGI-JTQLQIEISA-N	233.311	3.252	0	1	BGAF	
[O-][N+]1=NC(c2ccccc2)=C1c1ccccc1	1650752	CCMAYFJOEZQAHF-UHFFFAOYSA-N	222.247	3.489	0	1	BGAF	
CN1CCc2ccc3c4c2[C@H]1C[C@@H]1C=CC=C(C3)[C@@H]41	27200041	QVBLTVPWLCQXFO-NUEKZKHPSA-N	249.357	3.371	0	1	BGAF	
C[C@H]1C[C@@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	29478442	RWJVTTDOGFCAJS-YXAMBPQSSA-N	229.367	3.229	0	1	BGAF	
c1ccc(O[C@H](c2ccccc2)C2CNC2)cc1	95552972	NRYBTKDRLFPUCG-MRXNPFEDSA-N	239.318	3.026	0	1	BGAF	
CC1=C[C@@]23CC(C)(C)C[C@@]2(O)[C@H](C)CC[C@@H]1O3	96911593	KTUDICJUCCREHW-AYRXBEOTSA-N	236.355	3.051	0	1	BGAF	
Cc1ccc(F)c(NC2=N[C@@H](C)CC2)c1	143294908	MYTULABKSPGJTP-VIFPVBQESA-N	206.264	3.127	0	1	BGAF	
CC1=C[C@]2(C)[C@@H](O)C[C@H]3[C@H](C)CC[C@]32[C@@H]1C	231159565	KACKPLUHPMMFBK-VSCRVHDNSA-N	220.356	3.386	0	1	BGAF	
Cc1cc(Cl)cc2nc(C3=COCC3)[nH]c12	586913168	NTJKBFLFGXCHIX-UHFFFAOYSA-N	234.686	3.286	0	1	BGAF	
CC(C)CC(=O)C[C@@H](C)C1CCC(CO)CC1	14619027	RFQFDHJCBVXDDH-IYXRBSQSSA-N	240.387	3.427	0	1	BGAF	biogenic
C/C=C/C=C/C(=O)Oc1cccc2cccnc12	28954894	VWGLDTUCJAKJHS-KHVHPYDTSA-N	239.274	3.273	0	1	BGAF	
COC(=O)C1=C(c2ccccc2)C[C@H]2CC[C@H]1C2	100858644	BXNXEXWOZMNHST-AAEUAGOBSA-N	242.318	3.433	0	1	BGAF	
CC1=C[C@@H]2Cc3occc3C(C)(C)[C@@H]2C[C@H]1O	140162275	QKJRXNJQIGSRPJ-RAIGVLPGSA-N	232.323	3.057	0	1	BGAF	
CCCC/C=C/c1nc2cccnc2[nH]1	587965822	PPBWKYHXDWPHQJ-VMPITWQZSA-N	201.273	3.161	0	1	BGAF	
c1ccc(-c2nccc(-c3ccccn3)n2)cc1	26647634	RPKXKZMWEKGLPH-UHFFFAOYSA-N	233.274	3.206	0	1	BGAF	
Oc1cccc2c1C[C@H](Nc1ccccc1)CC2	28865377	MQDNHMQEJVOJDO-CQSZACIVSA-N	239.318	3.362	0	1	BGAF	
C[C@H]1c2c(ccc(Cl)c2Cl)[C@H]2CNC[C@H]21	36270529	OAZZLOFRPKQVFH-BWVDBABLSA-N	242.149	3.414	0	1	BGAF	
O=c1ccc2ccc(-c3ccccc3)cc2o1	66100901	POUGEZZPCFDFHD-UHFFFAOYSA-N	222.243	3.460	0	1	BGAF	
Cc1cccc(C2CCN(C(=O)C3CC3)CC2)c1	66112170	CRGGWUOSKDKEMZ-UHFFFAOYSA-N	243.350	3.111	0	1	BGAF	
CC(C)Nc1cc(-c2ccc(F)cc2F)ncn1	82160390	UWMAGOUHDSQIAM-UHFFFAOYSA-N	249.264	3.242	0	1	BGAF	
Cc1cc(C)[n+](CCc2ccccc2C)c(C)c1	95588963	BTTMKDBFMUYKQQ-UHFFFAOYSA-N	240.370	3.450	0	1	BGAF	
CCC/C=C(\C)c1cc(OC)c(C)c(=O)o1	205370050	KGMMJESOAYRZIK-VQHVLOKHSA-N	222.284	3.160	0	1	BGAF	
NCc1cc(Cl)c(Cl)c(-c2ccc[nH]2)c1	1857756823	HASIMRYKAUYVQL-UHFFFAOYSA-N	241.121	3.447	0	1	BGAF	
C[C@H]1CCc2cc3c(O)cccc3c(O)c2C1=O	2356553601	HUUKUVMIUNJFIH-QMMMGPOBSA-N	242.274	3.016	0	1	BGAF	
Cc1[nH]c(-c2ccccc2N)c2c1C(=O)CCC2	205724620	IPQGUMYPDJKXTB-UHFFFAOYSA-N	240.306	3.091	0	1	BGAF	
O=C(O)CCC[C@H]1C[C@H]2[C@@H]1[C@H]1[C@H]2[C@H]2[C@H]3CC[C@H]3[C@H]21	231930489	ZDWWCRQXNJGGFF-LEYLZUNLSA-N	246.350	3.025	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@@H]2C(C)=CC[C@H]12	2356477609	BEVNHPMFXGZXHL-MRTXSQPYSA-N	232.323	3.097	0	1	BGAF	
Clc1ccc(C2=NO[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1	16020938	LIDSHSJJGBRCMP-UZWIWUQPSA-N	247.725	3.489	0	1	BGAF	
O=C(O)/C=C1\c2ccccc2-c2ccc(F)cc21	100741042	KJHMKUBGIDIDRW-RIYZIHGNSA-N	240.233	3.322	0	1	BGAF	
NC12CC3C[C@@H](C1)c1ccccc1[C@@H](C3)C2	169337099	WDMQLYGDWOYLDY-WVIDZAQPSA-N	213.324	3.159	0	1	BGAF	
CC(C)[C@]12CC[C@@](C)(O1)[C@@H]1C(=O)C[C@@H](C)[C@@H]1C2	230085967	CSLBUZGPLRECOR-ZVJHWVFESA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
CC(C)CCCCCCC(=O)c1nc[nH]c1N	653781793	WMNFVUHNJUDHER-UHFFFAOYSA-N	237.347	3.171	0	1	BGAF	
C=Cc1ccc(-c2nc3ccncc3[nH]2)cc1	586880886	IEGNOCLQPGNBAC-UHFFFAOYSA-N	221.263	3.268	0	1	BGAF	
CC(C)(C)C(=O)N1N=CC[C@@H]1C1CCCCC1	1857618313	KWIYLKZUPRGSIC-GFCCVEGCSA-N	236.359	3.200	0	1	BGAF	
CC[C@H](O)C=CCCCCCCCC(=O)O	2356442728	NSVPCFNUUARRKL-LBPRGKRZSA-N	228.332	3.129	0	1	BGAF	
Cc1c(O)cc(C=Cc2ccc(O)cc2)cc1O	2356558690	IZFXJBZTOTXUMI-UHFFFAOYSA-N	242.274	3.282	0	1	BGAF	
c1nc(COCCCC2CCCCC2)c[nH]1	13560958	JHAHTVRLUCBZSH-UHFFFAOYSA-N	222.332	3.287	0	1	BGAF	
C/C1=C/CC(=O)[C@H](C)CC[C@@H](C(C)(C)O)CC1	14453724	DWMJDYZSFOSGLA-CUBYMHMKSA-N	238.371	3.489	0	1	BGAF	endogenous,in-man
Fc1ccc(C2=NO[C@H]3CCCC[C@H]23)cc1	95574329	LFJGEUMJTYAGAH-RYUDHWBXSA-N	219.259	3.119	0	1	BGAF	
CC(C)(O)/C=C/C[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C	238784486	OHRVTGGRAFBYNX-RJBWJUFISA-N	220.356	3.386	0	1	BGAF	
C[C@@H](F)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1	587123178	HZGNISFIDZOZMS-PELKAZGASA-N	249.333	3.218	0	1	BGAF	
CC1=C[C@@H](C)[C@H](C2OCC(C)CO2)[C@H](C)C1	171785	XJZBGEHYSMORGG-PXELTDHWSA-N	224.344	3.234	0	1	BGAF	
CCc1ccc([C@H](O)c2ccc(F)cc2)c(O)c1	28760857	JZQFZQRPKCHMFS-OAHLLOKOSA-N	246.281	3.175	0	1	BGAF	
CC(C)(c1cccnc1)[C@H](O)c1ccccc1	29550441	LCRMYPGRORRMNU-CQSZACIVSA-N	227.307	3.093	0	1	BGAF	in-vivo
CC[C@H](Cc1ccc(O)cn1)c1ccc(O)cc1	43016776	XXEZNRVREINOCX-LLVKDONJSA-N	243.306	3.229	0	1	BGAF	
CC1=C(CC2=NCCCN2)CCc2ccccc21	100688726	ASJLQTOOYVJPKQ-UHFFFAOYSA-N	240.350	3.188	0	1	BGAF	
N=C1Cc2ccccc2N1Cc1ccccc1	200061720	FUQNYVYKVSSTJF-UHFFFAOYSA-N	222.291	3.227	0	1	BGAF	
Cc1ccc([C@@H]2CN(C)Cc3ccccc32)o1	473220565	NPFSYWQNMCUQFC-CQSZACIVSA-N	227.307	3.165	0	1	BGAF	
Cc1ccnc2c1CCN[C@]21C[C@@H](C)CC1(C)C	963066359	GWQUMQCARHISBH-MEDUHNTESA-N	244.382	3.187	0	1	BGAF	
CC(=O)c1ccc(O)c(C=CC(C)C)c1	2356567327	PUGHTJWBYWALJX-UHFFFAOYSA-N	204.269	3.264	0	1	BGAF	
CC(C)(C)C(=O)Nc1cccc(-c2ccc[nH]2)n1	1862159	MJNDSVXRYGAGMG-UHFFFAOYSA-N	243.310	3.061	0	3	BGAF	
CSc1ccccc1-c1cnc2cccnn12	61905544	MBVZGPRNYHCLIJ-UHFFFAOYSA-N	241.319	3.118	0	3	BGAF	
COc1ccc2c(c1)[nH]c1ccnc(C)c12	14589615	YUTSOUNFJWFJJV-UHFFFAOYSA-N	212.252	3.033	0	1	BGAF	biogenic
NC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1cccc(Cl)c1	36177491	IRNIZNAXVXVLJU-HYKPAMGXSA-N	235.758	3.428	0	1	BGAF	
c1cc2c(cc1N1CCCCC1)[C@H]1C[C@@H]2CCN1	61942441	XJEXKGPXFPGEGG-BLLLJJGKSA-N	242.366	3.199	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@@H]3C[C@H]1[C@H]2CC[C@]3(C)NC=O	103275419	PDLPLWDSKGNXJE-IBPCWRJOSA-N	249.398	3.219	0	1	BGAF	
CCOc1ccc(/C=C\[C@@H](C)N=O)cc1	169687506	PINXFIRHQKRJFC-UMCURTJPSA-N	205.257	3.253	0	1	BGAF	
COc1ccc(C)cc1C(O)=CN1[CH]C=CC=C1	2356849091	PAOUBEFLIPTBSR-UHFFFAOYSA-N	242.298	3.407	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](C)CC[C@H]2[C@H](C)CO	14918355	JZRBLGYAAXGCNI-JLLWLGSASA-N	234.339	3.310	0	1	BGAF	biogenic
C[C@@H]1Cc2cocc2[C@H](O)[C@@H]2CC(C)(C)C=C12	15168794	VFKMKXFLOYASKK-GAJTVXKRSA-N	232.323	3.478	0	1	BGAF	biogenic
C[C@@H]1C(=O)O[C@@H]2CC3=CCC[C@H](C)[C@]3(C)C[C@@H]12	15200678	BEVXVUGJENXHIT-CNQMMGNNSA-N	234.339	3.321	0	1	BGAF	biogenic
Nc1ccc2cccc(OC3CCCC3)c2n1	28389126	QFJPSIRKKLVRQA-UHFFFAOYSA-N	228.295	3.138	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@H]3[C@H]4C[C@@]12[C@@H](O)[C@]43C	34827729	VGVDZHYEJGNHEE-MJMJJYSYSA-N	220.356	3.220	0	1	BGAF	
CCN(Cc1cnc[nH]1)c1ccc(C)c(C)c1	96177511	INBXEMZIEJFEHP-UHFFFAOYSA-N	229.327	3.053	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@@H]1C=C[C@](O)(CO)CC1	238782584	QRDXWQFHSPWYOD-RBSFLKMASA-N	238.371	3.059	0	1	BGAF	
COc1c(O)c(C(C)=O)c(C)c2c(C)cccc12	1911585664	YOPHDZHOSVFIJT-UHFFFAOYSA-N	244.290	3.373	0	1	BGAF	
Cc1cc(C)c(C)c(OCCCN2CCCC2)c1	2880611	YTVDMIRALAPRSK-UHFFFAOYSA-N	247.382	3.477	0	1	BGAF	
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2=CN1CCCCC1	4266205	CEZIPIPZKBOEKO-XJKSGUPXSA-N	247.382	3.381	0	1	BGAF	biogenic
c1ccc(C[C@@H]2COC(c3cccs3)=N2)cc1	6002868	QKICIDWWVZZURL-GFCCVEGCSA-N	243.331	3.136	0	1	BGAF	
Cc1cc2c(cc1O)[C@@H](C(=O)O)CC[C@@H]2C(C)C	13381490	KNOBWLZFGSJVHF-MNOVXSKESA-N	248.322	3.402	0	1	BGAF	biogenic
CC1(C)CCC=C2CO[C@]3(C)CC[C@@]21O3	13457484	AKKNWGRLXKHQDH-QWHCGFSZSA-N	208.301	3.028	0	1	BGAF	endogenous,in-man
CC(C)c1ccc2c(c1)C[C@@H]1CNC[C@@H]2C1	101027208	WOACWYIUZSUINZ-FZMZJTMJSA-N	215.340	3.059	0	1	BGAF	
c1cnc2c(c1)Cc1c-2nc2cccc3c2c1CC3	587211825	INABUKULHWSJTE-UHFFFAOYSA-N	244.297	3.300	0	1	BGAF	
CCCC/C=C\c1nc2c(C)ccnc2[nH]1	587965297	JKNMFZNBTQGSOT-SREVYHEPSA-N	215.300	3.470	0	1	BGAF	
CC(C)[C@@H]1C[C@@H]2[C@@]3(C[C@H]1OC3=O)C[C@H]1C[C@@]21C	2356784706	PTISNUDEVUCIFZ-NJTCAMEISA-N	234.339	3.010	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@H](C)CCC(=O)[C@@H]2C[C@@H]1O	2356802986	WPOHFKODZHGIEO-FUQNVFFISA-N	238.371	3.035	0	1	BGAF	
CC/C=C(C)/C=C/c1cc(OC)c(C)c(=O)o1	33955323	ZEUIJMZTMKDWAC-IQXTZUCASA-N	234.295	3.326	0	1	BGAF	
CC[C@@H](C)[C@H]1N[C@@H](C)S[C@@H](C)S1	100828979	WONMKWKUDGYZEA-BGZDPUMWSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CCN1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	169313718	JQIIXRVNUHNTBY-IJLUTSLNSA-N	236.746	3.075	0	1	BGAF	
CCC1=Cc2cc(OC)c(OC)cc2[C@H]1N(C)C	169318023	DLGWJPIXRALJFC-HNNXBMFYSA-N	247.338	3.114	0	1	BGAF	
c1cc2c3c(c(C[C@H]4CCCO4)cnc3c1)CC2	587216057	RJPRZOORWKLVRE-CYBMUJFWSA-N	239.318	3.055	0	1	BGAF	
C/C=C/CN(C)Cc1cccc2cc[nH]c12	1772587859	XNPZMMMLQHQTIU-ONEGZZNKSA-N	214.312	3.176	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3C(=O)COC3=CC[C@@H]12	2356662258	JJURWYXZUIFCGL-GUTXKFCHSA-N	234.339	3.322	0	1	BGAF	
C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)NC=O)C1(C)C	140303288	KDRPIAGOHIYGEH-NVWMEEMDSA-N	249.398	3.219	0	1	BGAF	
CCCC[C@@H]1CC(=O)c2cc(OC)ccc2N1	1857652700	BOJAZPOUMPGQGI-SNVBAGLBSA-N	233.311	3.252	0	1	BGAF	
COCc1coc2c1CC1=C(C)[C@@H]3C[C@@H]3[C@H]1C2	2356776400	HMRQYESDBHCVBM-UBHSHLNASA-N	230.307	3.107	0	1	BGAF	
COc1cc(O)cc2c1Oc1ccccc1CC2	40913992	OZBWMOVXDLPRHR-UHFFFAOYSA-N	242.274	3.292	0	1	BGAF	biogenic,in-vitro
Cc1ccnc2c1CCN[C@]21C[C@H](C)CC1(C)C	963066355	GWQUMQCARHISBH-BDJLRTHQSA-N	244.382	3.187	0	1	BGAF	
CC[n+]1c(C)cc2c([nH]c3ccccc32)c1C	363775	MOEJDFAIGUAFOA-UHFFFAOYSA-O	225.315	3.245	0	1	BGAF	
COc1ccc(/C=C/COC(=O)CC(C)C)cc1	14505163	LPEDNRNKVNWFPU-SNAWJCMRSA-N	248.322	3.298	0	1	BGAF	biogenic,in-vitro
CCCN(CCC)[C@@H]1Cc2ccccc2[C@@H](O)C1	26576106	NYBWBNYARFYGIA-ZBFHGGJFSA-N	247.382	3.157	0	1	BGAF	
CC(C)c1ccc2c(c1)[C@H]1OC(=O)N[C@H]1CCC2	26643346	BXYOFMNACOROSI-UONOGXRCSA-N	245.322	3.296	0	1	BGAF	
O=C(Nc1ccccc1)[C@H]1C[C@@H]2CC[C@@H]1C2	100748770	OYBGVILRANZFNU-WZRBSPASSA-N	215.296	3.061	0	1	BGAF	
CC[C@H](C)c1nc2cc(C(F)(F)F)ncc2[nH]1	587955678	KOWUORGBBIMICE-LURJTMIESA-N	243.232	3.490	0	1	BGAF	
CN1CCCC[C@H]1CCC(=O)c1ccc(F)cc1	13554225	UKLGAMQZOAFLKB-AWEZNQCLSA-N	249.329	3.273	0	1	BGAF	
C=C1C(=O)O[C@H]2C[C@]3(C)CCCC(C)=C3C=C12	15208079	BYOSLFDXLVEURJ-ZFWWWQNUSA-N	230.307	3.305	0	1	BGAF	biogenic
O=C(c1cn[nH]c1)c1coc2ccc(Cl)cc12	587279163	XOJDZZKXANHGGK-UHFFFAOYSA-N	246.653	3.040	0	1	BGAF	
CC1=CC[C@@H](C(C)(C)O)C=C[C@@](C)(O)CCC1	2356627225	AOROBANGFVRWRJ-HIFRSBDPSA-N	238.371	3.201	0	1	BGAF	
CC(C)(O)/C=C/C[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C	14690769	OHRVTGGRAFBYNX-WOXZNUKRSA-N	220.356	3.386	0	1	BGAF	
Cc1ccc([C@@H](C)Sc2ncccn2)cn1	27632111	RSVFMVAUWNVOOK-SNVBAGLBSA-N	231.324	3.033	0	1	BGAF	
CCCN1CCC[C@@H]2c3ccc(O)cc3CC[C@H]21	58587337	BGWNOOWFGJBORE-HZPDHXFCSA-N	245.366	3.296	0	1	BGAF	
C[C@@H]1CCC(=O)[C@](C)(O)C=C2CC(C)(C)C[C@@H]21	96911608	OAXGQQKOWZKFRJ-IXPVHAAZSA-N	236.355	3.099	0	1	BGAF	
c1cc2nc(CC3CC3)[nH]c2c2c1CCCC2	587961008	DBLSSPUAZLFMGO-UHFFFAOYSA-N	226.323	3.394	0	1	BGAF	
CN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1	13826858	XDSKCHPSIVKGHH-UHFFFAOYSA-N	246.329	3.191	0	1	BGAF	
CC1=C2C[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@H]2OC1=O	34570423	AEQDXSFIHGWHDV-AGNJHWRGSA-N	234.339	3.465	0	1	BGAF	
N[C@H](N=O)c1cccc(Oc2ccccc2)c1	957756836	TUECZEGUGZDBAZ-CYBMUJFWSA-N	228.251	3.203	0	1	BGAF	
CC1=C[C@@H]2C3=C(C)C(=O)OC3=C[C@@H](C)[C@@H]2CC1	2356288042	URQSHIUUUUGZPU-USWWRNFRSA-N	230.307	3.366	0	1	BGAF	
CCC[C@H]([C@@H](O)c1ccc(C)cc1)N1CCCC1	13682226	NJZIWQLWRVISOP-CVEARBPZSA-N	247.382	3.293	0	1	BGAF	
C[C@@H](CCCCCCCCCC(=O)O)C(=O)O	38789142	WQASHJMJHNWVAP-NSHDSACASA-N	244.331	3.303	0	1	BGAF	
Clc1cccc([C@H]2CCc3nc[nH]c3C2)c1	40980284	SNFFBYPCULSUGT-JTQLQIEISA-N	232.714	3.336	0	1	BGAF	
CC[C@H]1c2ccccc2[C@H]2C[C@@]12c1c[nH]cn1	64548333	AKBJKOBHDJQWMB-GZBFAFLISA-N	224.307	3.342	0	1	BGAF	
CC1(C)[C@H]2[C@H]3C=C[C@@H]4CCC[C@@]42[C@@H](O)[C@@]1(C)C3	85545692	YRCJFEFEIFAJFE-FVXHWKGMSA-N	232.367	3.386	0	1	BGAF	biogenic,in-vitro
O=C1c2cccc3c2C(=C2C=CC=C[C@H]12)N=N3	102864066	SUKOONQPTDFULM-VIFPVBQESA-N	220.231	3.434	0	1	BGAF	
CCC[C@@H](CCn1cncn1)c1ccccc1	103214248	SZFARRKCEJVIPE-ZDUSSCGKSA-N	229.327	3.252	0	1	BGAF	
Cc1[nH]c2cccc(F)c2c1-c1cnn(C)c1	587636136	RNARJCPTWYJIFU-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
CC(C)(O)[C@H]1CC[C@@]2(C)CCCC(CO)=C2C1	2356404642	STQLSAZYTMFDFX-SWLSCSKDSA-N	238.371	3.037	0	1	BGAF	
CCCCC[C@@H](O)CCC[C@H](O)CCC	2356767931	IRLMVYZJMDTAIH-CHWSQXEVSA-N	216.365	3.259	0	1	BGAF	
CC1(C)CCC[C@@]2(C)CCOC(=O)C[C@@H]12	14616547	CMIIIOPFYNCZPR-GWCFXTLKSA-N	210.317	3.156	0	1	BGAF	biogenic
CN(C)C12C[C@@H]3CC(C[C@@H](C3)C1)C2(C)C	95557839	KQUHHGWKYAPVIY-KCXRBIIJSA-N	207.361	3.153	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@@H](NC=O)[C@@]3(C)CC[C@@H]2[C@@H]1C3	103275417	ZMNALZIXBKIMDE-XFHWEBQZSA-N	249.398	3.219	0	1	BGAF	
C[C@H]1CN=C(Nc2cccc3c2CCC3)C1	143189224	HDCMTJIUCVGAOZ-SNVBAGLBSA-N	214.312	3.026	0	1	BGAF	
CCCCN(CC)[C@H]1CCc2c(O)cccc2C1	169326448	OMXBVCKKWUFACV-AWEZNQCLSA-N	247.382	3.372	0	1	BGAF	
C/C(C(=O)NC1CC1)=C(/C)c1ccc(C)cc1	169339179	JOIMPRSUCZTHEI-VAWYXSNFSA-N	229.323	3.067	0	1	BGAF	
COC(C)(C)/C=C/c1cc(O)ccc1C(C)=O	238742219	ILXKGBYUTVRBRK-BQYQJAHWSA-N	234.295	3.033	0	1	BGAF	
C[C@H]1CC[C@]2(C)C(C(=O)O)=C[C@@]3(C)CC[C@@H]1[C@@H]32	238786862	YSMNEPXZBBDNRL-GSZDYRQJSA-N	234.339	3.480	0	1	BGAF	
CCC[C@H]1CC[C@H](C(=O)CCC(=O)O)CC1	253638271	OFIALCUHOJXOKX-XYPYZODXSA-N	226.316	3.027	0	1	BGAF	
c1ccc(Cc2cc3c4c(cccc4n2)CC3)nc1	587212030	KJUQQMVVUMGXGZ-UHFFFAOYSA-N	246.313	3.319	0	1	BGAF	
COc1ccc2nc(C=C3CCC3)[nH]c2c1	587964806	IEISKOJVIMATGB-UHFFFAOYSA-N	214.268	3.139	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2cnc(Cl)[nH]c-2n1	587966972	IWPUOEZKNBAFAF-HTQZYQBOSA-N	248.717	3.028	0	1	BGAF	
C[C@@H](N=O)c1ccc(Br)s1	958032121	UKHCFLBLIKZFRU-SCSAIBSYSA-N	220.091	3.338	0	1	BGAF	
CN1C(=O)C2(CCCCC2)[C@@H]1c1ccccc1	61943151	DTARYIWXIIMQEW-ZDUSSCGKSA-N	229.323	3.150	0	3	BGAF	
C/C(N=O)=C1/NC=C(C(F)(F)F)C=C1Cl	100542547	BXXBGZPAMJGFNV-DAXSKMNVSA-N	238.596	3.156	0	3	BGAF	
CCCN(CCC)[C@H]1COc2ccccc2C1	13737126	AFJZCPCUPUMAIA-CQSZACIVSA-N	233.355	3.112	0	1	BGAF	
CC1(C)CC2=Cc3cocc3C[C@@](C)(O)[C@H]2C1	15168821	GWFZQKNWKSJEIN-DZGCQCFKSA-N	232.323	3.406	0	1	BGAF	biogenic
CCCN(CCC)[C@H]1Cc2ccccc2[C@H](O)C1	26577838	NYBWBNYARFYGIA-GOEBONIOSA-N	247.382	3.157	0	1	BGAF	
Cc1ccc(C(=O)c2ccc(F)cc2)c(O)c1	28760849	LODWUUYODUVUHX-UHFFFAOYSA-N	230.238	3.071	0	1	BGAF	
c1cc(-c2ccncc2)nc(-c2ccco2)c1	40863773	YRPYYNULBPNCDK-UHFFFAOYSA-N	222.247	3.404	0	1	BGAF	
CCc1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1	587199118	VLOLARWYENZUJL-AWEZNQCLSA-N	245.370	3.384	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(CO)=CC[C@@H]3[C@@H]([C@@H]21)C3(C)C	2356838980	MFBXCTANYKWTRT-FZGMBXNASA-N	220.356	3.243	0	1	BGAF	
C[C@@H]1CC[C@H]2[C@@H]1[C@@H]1[C@@H](CC[C@]2(C)O)C1(C)C	6031136	AYXPYQRXGNDJFU-XBDPKTDKSA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
C[C@@H]1CCC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@]12O	15207627	DUMZYTYPNQNWMU-QHSBEEBCSA-N	240.387	3.115	0	1	BGAF	biogenic
CCCC(=O)O[C@@H]1[C@@H]2CC=C(C)[C@H]1C2(C)C	34951155	HGTWZXWLAFIIDA-CYZMBNFOSA-N	222.328	3.321	0	1	BGAF	
CCN(CC)CCc1c[nH]c2ccc(F)cc12	66259003	LBJIPBJDJFZKIQ-UHFFFAOYSA-N	234.318	3.191	0	1	BGAF	
c1csc(-c2ccc(Cn3ccnc3)cn2)c1	84633995	NXBVQFNDCVPKIC-UHFFFAOYSA-N	241.319	3.055	0	1	BGAF	
Fc1cc(F)c2[nH]c(C=C3CCC3)nc2c1	587965022	MEYFWHICOUKZJG-UHFFFAOYSA-N	220.222	3.408	0	1	BGAF	
C1C[C@@H]2CC[C@H]3CCC[C@@]24[C@H]3CCCN4C1	2356348025	WEUSZYFSAZZUMH-KBXIAJHMSA-N	219.372	3.441	0	1	BGAF	
Cc1ccc2c(c1C)O[C@](C)(CCC(=O)O)CC2	12495324	WTGHQIKMADLFAH-HNNXBMFYSA-N	248.322	3.252	0	1	BGAF	endogenous,in-man
COc1c(O)c(C)c(Cl)c(OC)c1Cl	13451621	HOMKCHUBSJXKOM-UHFFFAOYSA-N	237.082	3.025	0	1	BGAF	biogenic
Cc1ccc2sc(C(N)=O)c(OC(C)C)c2c1	13603716	HMXQOYKEYSMCQC-UHFFFAOYSA-N	249.335	3.096	0	1	BGAF	
Cc1coc2c1[C@H](O)[C@]1(C)C(=CCC[C@@H]1C)C2=O	14453050	URKUQJQLAZXAKS-LNHVQRHZSA-N	246.306	3.180	0	1	BGAF	biogenic
C=C(C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@@H]2C1=O	15206556	RHQXQCXSOLMDEY-GUTXKFCHSA-N	232.323	3.083	0	1	BGAF	biogenic
CCSc1ncc(C[C@@H](C)CC)nc1C	26667830	NSUWJTNHTHHKPF-VIFPVBQESA-N	224.373	3.486	0	1	BGAF	
CN1[C@@H]2CC[C@@H]1CC(CC(=O)c1ccccc1)C2	100866627	DHZKTPOSTCZRBL-HUUCEWRRSA-N	243.350	3.132	0	1	BGAF	
N[C@H]1c2ccccc2C23C[C@@H]4CC(C[C@H](C4)C2)[C@H]13	103148592	UDRRGNBPEKCWCW-BHQPYMCCSA-N	239.362	3.394	0	1	BGAF	
CCCCC[C@@H](C)[C@]1(C)SC(=O)[C@@H](C)C1=O	169719219	PAEKPHDFBYRRMM-NRUUGDAUSA-N	242.384	3.440	0	1	BGAF	
CC1=C2C[C@H]3[C@@H](C[C@H](C)[C@@H]2CC1)OC(=O)[C@@H]3C	238761915	QAOTVNIYGMUCEE-FUVSOYRFSA-N	234.339	3.321	0	1	BGAF	
CCCC[C@H](C)Cc1cccc(O)c1C(=O)O	28861936	QYIXELAYIFNLBH-JTQLQIEISA-N	236.311	3.459	0	1	BGAF	
C[C@]12N[C@H](Cc3ccccc31)[C@H]1CCCC[C@@H]12	34614595	COGPALBKCNFTGA-HNKHHVNMSA-N	227.351	3.236	0	1	BGAF	
O=c1c2ccccc2sn1-c1cccc(F)c1	66157360	OWKGMGZSBOHBQA-UHFFFAOYSA-N	245.278	3.191	0	1	BGAF	
OC/C=C/c1ccc2cc(Cl)c(F)cc2n1	96937475	HJAFRHUIDQLGNY-OWOJBTEDSA-N	237.661	3.033	0	1	BGAF	
Fc1ccccc1-c1ccc2[nH]ncc2c1	169329411	OYUSSTRGYVQVEE-UHFFFAOYSA-N	212.227	3.369	0	1	BGAF	
CC1(C)C=C2CCc3cocc3[C@H](O)[C@H]2C1	238739982	BXLFBSFFOFGUKV-WCQYABFASA-N	218.296	3.232	0	1	BGAF	
C[C@@]12CCCC[C@H]1c1ccccc1C(=S)N2	2491990	CHHPICQFFAHDGN-GXTWGEPZSA-N	231.364	3.382	0	1	BGAF	
C[C@H]1CC[C@H]2[C@@H](CC[C@@H]3COC(=O)[C@@]32C)C1	14615906	OESDLQGRHWDNBJ-HNRZYHPDSA-N	222.328	3.012	0	1	BGAF	
N[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(c1ccccc1)C3	169300070	IELSRSCLRGXCFP-BBECGWAHSA-N	227.351	3.092	0	1	BGAF	
CCC[C@@H](c1nc2c(N)ccnc2[nH]1)C(C)C	587954968	DGUDWFAQKYQUIC-SECBINFHSA-N	232.331	3.080	0	1	BGAF	
CC1(C)[C@H]2[C@@H]3C=C[C@@H]4CCC[C@]42[C@@H](O)[C@@]1(C)C3	2356569516	YRCJFEFEIFAJFE-NXNLJZTQSA-N	232.367	3.386	0	1	BGAF	
CCc1c(C2(O)CCCCC2)[nH]c2ncccc12	36388942	DWRDMJFSJLUDQP-UHFFFAOYSA-N	244.338	3.277	0	3	BGAF	
CC1=CC=C2c3ccccc3C=CN2C(=O)C1	1639345	WNFXVYJOBDTOOC-UHFFFAOYSA-N	223.275	3.190	0	1	BGAF	
COC(C)(C)c1cc2cc(O)c(C)cc2o1	13307570	KQOGVLSIBVWZTO-UHFFFAOYSA-N	220.268	3.328	0	1	BGAF	biogenic
Cc1ccc(Sc2ccccc2CN)c(N)c1	13642308	PEFLMXJNQRODSP-UHFFFAOYSA-N	244.363	3.187	0	1	BGAF	
Cc1ccc2c(c1)[S@](=O)c1ccccc1O2	26184534	OXGBYRMYNIZJMU-INIZCTEOSA-N	230.288	3.267	0	1	BGAF	
CC1(C)C=CN(C(=O)c2ccccc2)C=C1	26381062	DNQDBPMUZUAYSR-UHFFFAOYSA-N	213.280	3.196	0	1	BGAF	
CCCSC[C@@H](Cc1ccccc1)C(=O)O	27654143	WGMOOMCBUBACAA-GFCCVEGCSA-N	238.352	3.073	0	1	BGAF	
C[C@@H]1C(=O)C[C@H](C(C)(C)C)N[C@@H]1C(C)(C)C	169306839	SXWHWRLSIYZHJH-JLLWLGSASA-N	225.376	3.014	0	1	BGAF	
CC[C@H](C)c1nc2cc(Cl)ncc2[nH]1	587955429	JBHVGGILQOKNJN-LURJTMIESA-N	209.680	3.125	0	1	BGAF	
CC(C)(C)C(=O)n1nccc1-c1ccccc1	1857563141	LGPUUGIFNHLVAW-UHFFFAOYSA-N	228.295	3.236	0	1	BGAF	
COc1ccc2c(c1)[C@]1(C)CCC(=O)C[C@@H]1CC2	5275569	MMDQZMROSQWSDC-BLLLJJGKSA-N	244.334	3.268	0	1	BGAF	biogenic
CC1=C[C@@]23OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC1	34187443	SXDUGGRDNCRRHY-BIGJJFBESA-N	234.339	3.321	0	1	BGAF	biogenic,in-vitro
CC(=O)CCC/C(C)=C\CC/C(C)=C\CO	214983056	VZDNKMDQWSQDRS-HVZNDUSUSA-N	224.344	3.411	0	1	BGAF	
CC1=CCC[C@H](C)C=C[C@H](C(C)(C)O)C[C@H]1O	2356764969	DXVZUYIXOHXNBU-FPMFFAJLSA-N	238.371	3.057	0	1	BGAF	
CO[C@@H]1OCC2=C[C@@H]3CC(C)(C)C[C@@H]3[C@@]3(C)C[C@]213	15169199	OTTPPWWZWUBHFV-FESDDOHESA-N	248.366	3.378	0	1	BGAF	biogenic
CCOC(=O)/C=C/C=C(\C)CC[C@H]1OC1(C)C	26719302	BZDGLKIXNUCACN-VFKUWLFVSA-N	238.327	3.010	0	1	BGAF	
c1cn(Cc2ccc(-c3ccoc3)cc2)cn1	29131160	BPJMXJHONGMQLC-UHFFFAOYSA-N	224.263	3.191	0	1	BGAF	
CC1(C)C(=O)c2cccc3cccc(c23)C1=O	38272179	AYWMGPVWKRJKOT-UHFFFAOYSA-N	224.259	3.245	0	1	BGAF	
CCC[C@H]1c2cc(OC)c(OC)cc2CCN1C	40575572	HONMIEJXWJAENG-ZDUSSCGKSA-N	249.354	3.033	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@H]12	2356477611	BEVNHPMFXGZXHL-ZSLBOAEBSA-N	232.323	3.097	0	1	BGAF	
CCCN(CCC)[C@@H]1CCn2ccc(C)c2C1	13642079	HCZAXFOGTCSPTF-CQSZACIVSA-N	234.387	3.233	0	1	BGAF	
CCCC/C=C/c1nc2ccc(CCO)cc2[nH]1	587965311	JPSWOXMQIZFYTI-AATRIKPKSA-N	244.338	3.301	0	1	BGAF	
CC=CCCCCC1=C(C)C(=O)N2CCC[C@@H]2O1	2356501183	QFSVKKKDSOYBCD-AWEZNQCLSA-N	249.354	3.376	0	1	BGAF	
COc1ccc(C(C)=O)cc1C(=O)CC(C)C	13306633	BVWCFOXBDSMXEP-UHFFFAOYSA-N	234.295	3.127	0	1	BGAF	biogenic,in-vitro
CCCCC/C=C\C=C\C(=O)N1CCCC1	13433435	BFZBGTMIBOQWBA-BQGCWICQSA-N	221.344	3.302	0	1	BGAF	endogenous,in-man
C=C1C[C@@H]2OC(=O)[C@H](C)[C@@H]2C[C@H]2C(C)=CC[C@@H]12	15264920	ZBWWLHSOPWQYSL-QMVSFRDZSA-N	232.323	3.097	0	1	BGAF	biogenic
NCc1ccccc1Oc1ccc(Cl)cc1O	40764060	VRVDTRNXHRUQAL-UHFFFAOYSA-N	249.697	3.297	0	1	BGAF	
CSc1ccc2cc(C[C@H](C)N)ccc2c1	40847774	YTLQCSVRMANEOQ-JTQLQIEISA-N	231.364	3.451	0	1	BGAF	in-vivo
CC(C)OC(=O)n1c2c(oc1=S)CCCC2	72136899	WLMNQRZRVNPPFY-UHFFFAOYSA-N	241.312	3.082	0	1	BGAF	
CC(C)Oc1cc2c3ccccc3nc-2c[nH]1	100640587	IKDYRDIWKFJQTR-UHFFFAOYSA-N	226.279	3.455	0	1	BGAF	in-vivo
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@@H]1C)O2	587405627	MMUKQAVLJBRUML-ZUZCIYMTSA-N	245.322	3.101	0	1	BGAF	
Cc1cc2nc(CCOCC3CC3)[nH]c2cc1C	587783026	CVPWKHXGKBDHRE-UHFFFAOYSA-N	244.338	3.149	0	1	BGAF	
COc1cccc2c1NC(C)=C1C[C@@H](C)O[C]12	2356823551	UWMCISAVGCGJJN-MRVPVSSYSA-N	230.287	3.084	0	1	BGAF	
CCc1nnc(-c2nsc3ccccc23)s1	1633448	VHLIHEKBIKEZQL-UHFFFAOYSA-N	247.348	3.377	0	1	BGAF	
Cc1cc2c(cc1O)[C@@H](C)C[C@@H](O)[C@@H]2C(C)C	13381440	RKVZRTDMSVXBGL-TZTCFGBESA-N	234.339	3.308	0	1	BGAF	
CC1=C[C@@H]2c3c(C)coc3C[C@@H](C)[C@]2(O)CC1	14828250	UZOQGANJGSVJFL-LALPHHSUSA-N	232.323	3.335	0	1	BGAF	biogenic
Cc1cccc(Nc2nccc3ccoc23)n1	38313363	PIFWWFCLORTAEY-UHFFFAOYSA-N	225.251	3.275	0	1	BGAF	
Cc1[nH]c(C)c(-c2ccccc2)c(=O)c1Cl	40833822	ABLJWJFERMBXOT-UHFFFAOYSA-N	233.698	3.312	0	1	BGAF	
Fc1cccc(Nc2n[nH]c3ccccc23)c1	137897114	CLNCXYIOEDWCDS-UHFFFAOYSA-N	227.242	3.446	0	1	BGAF	
Cc1c(Cl)ccc2nc(C3=COCC3)[nH]c12	586913512	PNCHQPOWVPFZIW-UHFFFAOYSA-N	234.686	3.286	0	1	BGAF	
CCO[C@H]1CCc2c1nc1cccc3c1c2CC3	587214108	MBDVTJOARWJAGZ-AWEZNQCLSA-N	239.318	3.357	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)[C@@H]1C[C@@H]1CC4)CC2	587215549	QDRNKZHGKHNXFX-GXFFZTMASA-N	221.303	3.383	0	1	BGAF	
Cc1cc(=O)c(C(C)C)cc2c1C(=O)C[C@H]2C	142890230	MFOPPCYSEHKNBO-SECBINFHSA-N	230.307	3.169	0	1	BGAF	
C[C@]12CC[C@@H](O)C[C@H]1CCc1ccccc12	3978926	MVNJNWNFUCRWBW-NFAWXSAZSA-N	216.324	3.052	0	3	BGAF	biogenic,in-vitro
CNC(=S)OCC[C@@H](C)CCCC(C)C	5715724	ROFSWVDUYGCIAG-NSHDSACASA-N	231.405	3.360	0	1	BGAF	
C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1	6031434	VLMZMRDOMOGGFA-YVLXSGLVSA-N	240.350	3.148	0	1	BGAF	biogenic
Cc1cc2c([C@@H](C)CO)ccc(C)c2cc1O	13381367	YLPOBZYUCWVVCB-NSHDSACASA-N	230.307	3.258	0	1	BGAF	biogenic,in-vitro
C[C@@]1(c2cccc(O)c2)CCCN(CC2CC2)C1	27564199	BFJGDYASFRFDRK-MRXNPFEDSA-N	245.366	3.156	0	1	BGAF	
C[C@@H]1CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@]12O	38255281	DUMZYTYPNQNWMU-UXOAXIEHSA-N	240.387	3.115	0	1	BGAF	
COc1cc2nc(C3=CCCC3)[nH]c2cc1C	586885070	UGWUVULLWDPFJY-UHFFFAOYSA-N	228.295	3.447	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2c(C)nccc2[nH]1	586893215	WYZJIBNYSOBMGZ-RNCFNFMXSA-N	215.300	3.170	0	1	BGAF	
Cc1c([C@H]2CCOC2)nc2cccc3c2c1CC3	587215939	PQYDTOCFKIQBCT-LBPRGKRZSA-N	239.318	3.146	0	1	BGAF	
Clc1ccc([C@@H]2NN=C3CCC[C@@H]32)cc1	1857606035	OVHBUURKUDQFKD-JQWIXIFHSA-N	220.703	3.140	0	1	BGAF	
CCC[C@H](O)CC(=O)CCc1ccc(C)cc1	1911579617	ROFPXAINHUBFJD-AWEZNQCLSA-N	234.339	3.048	0	1	BGAF	
CC1=C[C@@H]2C(C)(C)CCC[C@@]2(C)C(=O)C[C@@H]1O	13311154	JKGGHIWHKFXACP-YWPYICTPSA-N	236.355	3.099	0	1	BGAF	biogenic
C/C1=C\[C@H](O)[C@H](C(C)C)C[C@H](O)/C(C)=C/CC1	15254254	PKOQIYPPSKQSIQ-GXNWLIGJSA-N	238.371	3.057	0	1	BGAF	
CC1=C[C@@H]2OC(=O)C3=CC[C@H](C(C)C)[C@H](C1)[C@@H]32	38674780	YTTBRPHKLFGIOX-VZZFWQQMSA-N	232.323	3.097	0	1	BGAF	
CC(C)Nc1cc(-c2ccc(F)c(F)c2)ncn1	82162401	MMDAMRYQHSMAQD-UHFFFAOYSA-N	249.264	3.242	0	1	BGAF	
CCCCCC/C(Br)=C\C(=O)O	169621997	FSGDUVOQJQYMNR-BQYQJAHWSA-N	235.121	3.320	0	1	BGAF	
COc1cc(-c2ccc(C)s2)cc(C=O)c1O	169699600	MSVPDYYUKAKQHT-UHFFFAOYSA-N	248.303	3.250	0	1	BGAF	
CC1=CC(C)(C)C[C@@H]2C[C@](C)(O)[C@H]3CC[C@@]12O3	13406766	DVBSFZDMEMHERO-RJZRQDKASA-N	236.355	3.051	0	1	BGAF	biogenic
c1ccc2c(c1)CC[C@H]1CN(CC3CC3)CC[C@@H]21	26161497	VACGFZDVGIGYTA-DOTOQJQBSA-N	241.378	3.448	0	1	BGAF	
C[C@@]12N[C@@](F)(Cc3ccccc31)c1ccccc12	27888304	QWQKTSIJXLQBCC-CVEARBPZSA-N	239.293	3.232	0	1	BGAF	
O=C(Nc1nccs1)[C@@H]1[C@H]2/C=C/CCCC[C@@H]12	32699834	QVRUJMJSJXRQQT-UKGFDYJOSA-N	248.351	3.074	0	1	BGAF	
C(=C1\CCCN=C1c1cccnc1)\c1ccccn1	40846387	ODEMQGBVMXIXHZ-ACCUITESSA-N	249.317	3.143	0	1	BGAF	
S=C1N=C2CCCC[C@@H]2[C@H](c2ccccc2)N1	169726111	SXPHPUNQEIAONC-AAEUAGOBSA-N	244.363	3.247	0	1	BGAF	
CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NC)c2c1	587640522	AUJRBMVOHXQYAS-VIFPVBQESA-N	244.338	3.349	0	1	BGAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@]13CC[C@]21CC[C@@H]3O	2356351692	DFBIFSIVSFAGEV-SZWZKDINSA-N	220.356	3.364	0	1	BGAF	
CCCC[C@@H]1CC[C@H]2CCC[C@@H](CCCO)N12	14616402	NDGNYHJTNRNBRT-RRFJBIMHSA-N	239.403	3.335	0	1	BGAF	biogenic
Cc1cc2[nH]c3c(c(=O)c2cc1C)CCCC3	72109078	DMEFESHNEVLGRY-UHFFFAOYSA-N	227.307	3.024	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CCC2=CC(=O)C[C@H](C)[C@]21C	13385641	UQEVJIYDECNMHF-VZJVUDMVSA-N	232.323	3.083	0	1	BGAF	biogenic
CC1(C)CCC[C@]2(C)[C@@H]3C(=CO[C@H]3O)CC[C@H]12	15159749	CKKFKHKPUJLOPY-BHPKHCPMSA-N	236.355	3.462	0	1	BGAF	biogenic
CC(C)=CC(=O)N(C)/C=C\c1ccccc1	34431474	ZXXVSLVNOUPLEH-KTKRTIGZSA-N	215.296	3.082	0	1	BGAF	
c1cc(C2=NO[C@H](C3CCCCC3)C2)co1	66075235	XMNXSHJUBMXKBX-ZDUSSCGKSA-N	219.284	3.353	0	1	BGAF	
C(=C/c1c[nH]c2ncccc12)\c1cccnc1	72106746	LKEMLXRYKJZZDA-AATRIKPKSA-N	221.263	3.128	0	1	BGAF	
CC1=C[C@@H]2O[C@]3(CO)CCC[C@]3(C)[C@@]2(C)CC1	238772098	JFZZTCKYMWJCGK-XQLPTFJDSA-N	236.355	3.053	0	1	BGAF	endogenous,in-man
CC=C=CCN(C)C[C@@H](C)c1ccccc1	299818244	PFXZUGUEBVGVBF-XJQCMFKWSA-N	215.340	3.453	0	1	BGAF	
Fc1ccc(S)cc1-c1nc2cnccc2[nH]1	587142572	FUVWENRHPCIKRD-UHFFFAOYSA-N	245.282	3.053	0	1	BGAF	
CCCCCC=C(C(=O)O)[C@@H](C)C(=O)CC	2356396327	HXNJREREBYTEGW-SNVBAGLBSA-N	226.316	3.193	0	1	BGAF	
CC(=CC[C@@H]1N[C@H](c2ccoc2)CC[C@@H]1C)CO	2356404696	VACAXMGPQVSASV-QEJZJMRPSA-N	249.354	3.038	0	1	BGAF	
CC1=Cc2ccc3c(c2CO1)O[C@@H](C(C)C)C3=O	2356535303	SVFIJYQKYCVHPU-AWEZNQCLSA-N	244.290	3.177	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(C)(C)[C@H]3C[C@@]12CC[C@H]3CO	2356670345	LGCJLUHHIWNSGQ-KDBYPZKRSA-N	222.372	3.467	0	1	BGAF	
CC[C@@H](C)C=C(C)c1cc(OC)c(C)c(=O)o1	2356733648	LTIPOSPLWJFHFJ-SECBINFHSA-N	236.311	3.406	0	1	BGAF	
CC(C)[C@H]1C[C@]2(C)[C@@]3(C)CCC[C@@]2(O)O[C@@H]1C3	14947573	UTNQUNGFEKWBQT-UXXRCYHCSA-N	238.371	3.336	0	1	BGAF	
CC[C@H](C)c1ccccc1OC(=O)N(C)C	34343385	PZWLRNODVVRPMD-JTQLQIEISA-N	221.300	3.261	0	1	BGAF	
CC(C)Cc1ccc([C@@H](CF)C(=O)O)cc1	82152128	RHYPLXHTNFTLQW-GFCCVEGCSA-N	224.275	3.023	0	1	BGAF	
CCN1[C@H]2CCC[C@@](c3cccc(O)c3)(C2)[C@H]1C	299847172	UOCWQDPHOVKPKR-IVMMDQJWSA-N	245.366	3.297	0	1	BGAF	
CC(C)[C@@H]1OC(=O)C=C1Sc1ccccc1	5464724	LPVKTKGNGDUVOK-ZDUSSCGKSA-N	234.320	3.244	0	1	BGAF	
Cc1ccccc1-c1c[nH]c(-c2cccnc2)n1	13553743	OKHWXFGTFKPBHS-UHFFFAOYSA-N	235.290	3.447	0	1	BGAF	
C(=C1\CCCN=C1c1cccnc1)\c1ccncc1	40862313	LRDQLLSMQSJNFC-SDNWHVSQSA-N	249.317	3.143	0	1	BGAF	
C/C=C1/[C@H]2C=C(C)C[C@H]1c1ccc(O)nc1C2	100838840	PTZJKZAGQUPZHZ-CHXUDSSNSA-N	227.307	3.339	0	1	BGAF	
Cc1ccc([C@@H]2C[C@H]3Cc4ccccc4N2O3)o1	299832785	VYRFFNKVGJWDQR-OCCSQVGLSA-N	241.290	3.396	0	1	BGAF	
CC[C@H](C)Oc1cc(C(N)=O)cc2ccccc12	1772648528	BHLWLJNICJCXSK-JTQLQIEISA-N	243.306	3.116	0	1	BGAF	
C[C@]12N[C@H](Cc3ccccc31)Cc1ccccc12	1857626610	YCFFFJKQZYULSC-KDYLLFBJSA-N	235.330	3.021	0	1	BGAF	
c1ccc(-c2nc(-c3ccco3)cs2)nc1	3442079	WNAWCLPPKDFKIK-UHFFFAOYSA-N	228.276	3.465	0	3	BGAF	
CCC[C@@H]1C[C@@](C)(c2cccc(O)c2)[C@@H](C)CN1	28568005	UIDNJSJRQSMKIV-JGGQBBKZSA-N	247.382	3.448	0	1	BGAF	
CN1Cc2ccccc2[C@H](c2cccs2)C1	34454090	HFAXMKVVLFVHBE-CYBMUJFWSA-N	229.348	3.325	0	1	BGAF	
O=C(O)CCCCCCCc1cccnc1	36242132	LJLBRHMJMSVGHF-UHFFFAOYSA-N	221.300	3.049	0	1	BGAF	
O=C(Cc1ccccc1)O/C=C/c1ccccc1	208966090	OQIDJPPRRLRDSN-VAWYXSNFSA-N	238.286	3.443	0	1	BGAF	
Cc1cc2c(c3c1CC(=O)N3)[C@H](C)C[C@@H]2C	238756238	AAQZKECTNJZCJP-IONNQARKSA-N	215.296	3.100	0	1	BGAF	
c1cc2c3c(cc(-c4ccncc4)nc3c1)CC2	587211611	HFTBQMYFHPBIBJ-UHFFFAOYSA-N	232.286	3.395	0	1	BGAF	
C=C=C(Sc1ccccc1)C(C)(C)O	1631830	NQJHYMGNYWTYEN-UHFFFAOYSA-N	206.310	3.218	0	1	BGAF	
COc1cc2cc(C)c(C)cc2c(OC)c1O	15120134	KFZDSWYKJWHOMI-UHFFFAOYSA-N	232.279	3.179	0	1	BGAF	biogenic
CCCC[C@H]1CC[C@@H](c2cc(C)no2)N1C	26474061	DDFOCOFEWYQQDB-RYUDHWBXSA-N	222.332	3.309	0	1	BGAF	
c1cc(-c2ccc3nc[nH]c3c2)c2cc[nH]c2n1	1240413629	XSXSHTNBZPRIDY-UHFFFAOYSA-N	234.262	3.106	0	1	BGAF	
CSC(=S)NC1C2CC3CC(C2)CC1C3	13679662	GLEUVPIIIJOINY-UHFFFAOYSA-N	241.425	3.049	0	1	BGAF	
CC1=C2C[C@H](C(C)(C)O)CC[C@]2(C)[C@@H](O)CC1	15208304	ODLSRDICGYLIRN-ZLDLUXBVSA-N	238.371	3.035	0	1	BGAF	biogenic
C[C@H]1C[C@]2(C=C(c3ccoc3)C[C@@H](C)C2)OC1=O	32302847	YDUFVPKWFQXSAZ-JRPNMDOOSA-N	246.306	3.415	0	1	BGAF	
CCCCOc1ccc(C)cc1[C@H]1C[C@@H]1CN	84596317	DDYPGAUKPIQKBM-OLZOCXBDSA-N	233.355	3.236	0	1	BGAF	
Cc1nc2ccc(O)nc2n1C1(C)CCCCC1	118266899	AERLRAKXYYVVCJ-UHFFFAOYSA-N	245.326	3.125	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2C1=CC[C@]1(C)[C@@H](O)CC[C@@H]21	169291280	MIZURHXEGUWOLO-TYRIBLQHSA-N	248.366	3.099	0	1	BGAF	
Cc1nc(C)c(Cc2nc3ccccc3[nH]2)s1	587012065	MTMNZJUYVJEOIE-UHFFFAOYSA-N	243.335	3.227	0	1	BGAF	
Cc1cnc2[nH]c(/C=C\c3ccsc3)nc2c1	587026020	QPVYROABNCNCGK-IHWYPQMZSA-N	241.319	3.498	0	1	BGAF	
CC[C@@H]1CCCC[C@]12NCCc1c(C)ccnc12	963075326	RSZZNRWHPVOXPP-CJNGLKHVSA-N	244.382	3.331	0	1	BGAF	
CC[C@@H](C)C[C@@H](C)C[C@@H](C)C(=O)OC	14822710	RBRLRKACDFDWRL-GMTAPVOTSA-N	200.322	3.258	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H](C)C1)O2	587409447	UOIZLKFHDVKLKV-VFZGTOFNSA-N	245.322	3.101	0	1	BGAF	
CC(C)=CC(=O)N(C)C=Cc1ccccc1	2356621391	ZXXVSLVNOUPLEH-UHFFFAOYSA-N	215.296	3.082	0	1	BGAF	
C[C@@H]1CC[C@H](NC=O)[C@]2(C)CC[C@@H]3[C@@H]([C@H]12)C3(C)C	2356801395	QOLAWXMBCTVDSR-XBGPERTJSA-N	249.398	3.219	0	1	BGAF	
Cc1cccc(OCCc2c(C)n[nH]c2C)c1C	210549	OVAXQUDIJWJZHB-UHFFFAOYSA-N	244.338	3.265	0	1	BGAF	
N[C@H]1[C@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc12	6093995	QFRCSJBYSNCGPY-NGZCFLSTSA-N	227.229	3.007	0	1	BGAF	
CC1=COC=C[C@@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12	14710520	ASHFJTARVFWHHX-WFASDCNBSA-N	244.290	3.218	0	1	BGAF	biogenic
Cc1cccc(Nc2nc(C)nc3[nH]ccc23)c1	27980286	JFIZTMQNWKSQQD-UHFFFAOYSA-N	238.294	3.318	0	1	BGAF	
Cc1c(CCN)c2cc(F)cc3c2n1[C@H](C)CC3	28007872	DKDJLMIWEAGOPW-SECBINFHSA-N	246.329	3.097	0	1	BGAF	
C=C(c1ccccc1OCCC)n1ccnc1	28765111	BESPVPRECSRBAX-UHFFFAOYSA-N	228.295	3.191	0	1	BGAF	
CCCC[C@H]1c2nc(N)nc3c2[C@H](CC3)C[C@@H]1C	86052988	IECGAEWATGHTLG-HBNTYKKESA-N	245.370	3.402	0	1	BGAF	
N#Cc1c[nH]c2nccc(-c3ccsc3)c12	219690686	BHEBICBPOTVZFO-UHFFFAOYSA-N	225.276	3.163	0	1	BGAF	
Cc1cc2c(cc1O)[C@@H](C(=O)O)CC[C@H]2C(C)C	13381492	KNOBWLZFGSJVHF-QWRGUYRKSA-N	248.322	3.402	0	1	BGAF	biogenic
c1ccc(-c2nccc(-c3ccncc3)n2)cc1	26658043	GWQISMMXWCIVCG-UHFFFAOYSA-N	233.274	3.206	0	1	BGAF	
COC(=O)C1=C(c2ccccc2)[C@H]2CC[C@@H]1C2	28825703	GKWNAKMFUGNGOE-NWDGAFQWSA-N	228.291	3.043	0	1	BGAF	
Cc1ccc2c(=O)n3c(cc2c1)-c1ccccc1C3	40828248	UHTLJWXIRXBQGT-UHFFFAOYSA-N	247.297	3.339	0	1	BGAF	
c1ccc2c(OC3CCCCC3)ncnc2c1	40896872	QNXOLVQGDILPJV-UHFFFAOYSA-N	228.295	3.341	0	1	BGAF	in-vivo
Cc1nc(NC2CCCCC2)c(C)c(C)c1O	143709880	LUYLQKJTNSCIJP-UHFFFAOYSA-N	234.343	3.457	0	1	BGAF	
CC/C=C(C)\C=C/c1cc(=O)c(C)c(OC)o1	206921409	PXPJSJYEBJNCLO-OYIUBJQVSA-N	234.295	3.326	0	1	BGAF	
Cc1ccc2[nH]c(-c3ccc(CO)cc3)nc2c1	586895267	CPKNQHGTTIRTOA-UHFFFAOYSA-N	238.290	3.031	0	1	BGAF	
Cc1cccc2c1N(C)C(=O)c1ccccc1O2	6523176	KHEPCPQACWFUGX-UHFFFAOYSA-N	239.274	3.377	0	1	BGAF	
Cc1coc2c1[C@H]1C/C(=C\C=C/[C@@H](C)C2)C(=O)O1	238742172	ZJTDAKVMLPHOPD-DRMOVWBPSA-N	244.290	3.251	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1	586890904	PPDDGKWIRUBKTQ-OTYXRUKQSA-N	240.310	3.343	0	1	BGAF	
Cc1nn(C)cc1-c1[nH]c2cccc(F)c2c1C	587635206	FBNATSUNTITGTK-UHFFFAOYSA-N	243.285	3.324	0	1	BGAF	
CCCC=Cc1cc2c(O)ccc(O)c2c(=O)o1	2356446406	IGZDEFGSVLJTJQ-UHFFFAOYSA-N	246.262	3.018	0	1	BGAF	
C[C@@H]1CC[C@@]2(NC=O)[C@@H]1[C@H]1[C@@H](CC[C@H]2C)C1(C)C	2356572318	XKLUOZVZDDWYQN-VHYSLAALSA-N	249.398	3.219	0	1	BGAF	
CCc1ccc(O)c([S@](=O)c2ccccc2)c1	28761716	QYZYYOOFKXSSQE-KRWDZBQOSA-N	246.331	3.121	0	1	BGAF	
C[C@@]12CN[C@@H](Cc3ccccc31)c1ccccc12	29566912	IIZBAWRPFWPBHJ-DLBZAZTESA-N	235.330	3.193	0	1	BGAF	
CN1C[C@@H]2C=C(c3cncc(Cl)c3)C[C@@H](C2)C1	169295123	KISYGAAWAUCCJZ-WDEREUQCSA-N	248.757	3.090	0	1	BGAF	
COc1cc2[nH]c3ccccc3c2cc1C(=O)O	169401247	VLKBBESGAFUABX-UHFFFAOYSA-N	241.246	3.028	0	1	BGAF	
CC(=CCC[C@](C)(O)c1ccc(C)cc1)C(=O)O	2356711119	JPYPXCYONUJEGT-HNNXBMFYSA-N	248.322	3.014	0	1	BGAF	
Cc1cc2c(o1)c(C)cc1ccc(=O)oc12	6070491	VWISGRNVMLSLCE-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
CC1=C[C@H]2O[C@@]3(CO)CCC[C@@]3(C)[C@@]2(C)CC1	13371321	JFZZTCKYMWJCGK-CBBWQLFWSA-N	236.355	3.053	0	1	BGAF	endogenous,in-man
Cc1ccc(CSCC(=O)C(F)(F)F)cc1	13859434	XCLDPMCZRDLOCM-UHFFFAOYSA-N	248.269	3.360	0	1	BGAF	
C[C@H](O)CCCCC[C@@H]1CC[C@H]2CC[C@H](C)N12	28755736	MZVMQPFTTQKLEJ-BYNSBNAKSA-N	239.403	3.333	0	1	BGAF	
O=C1CCc2cc(-c3ccc(O)c(F)c3)ccc21	29123370	YLLBKAVDMNPIII-UHFFFAOYSA-N	242.249	3.327	0	1	BGAF	
CN1CC=CC[C@@H](c2cc3ccccc3o2)C1	95584554	LBMMBEDCUJAMIZ-CYBMUJFWSA-N	227.307	3.408	0	1	BGAF	
CC(=O)Nc1c(C)[nH]c2c(C)cc(Cl)cc12	587627004	LMVAOCNDIPPGST-UHFFFAOYSA-N	236.702	3.397	0	1	BGAF	
Oc1ccccc1[C@@H](O)C=Cc1ccccc1	2356309721	HQOUICNWSGFFBY-HNNXBMFYSA-N	226.275	3.139	0	1	BGAF	
CC1(C)[C@@H]2CCC[C@H]3CC[C@](C)(O)[C@H]3[C@@H]21	2356357328	RWCYAQCZBPFTTA-KSFQGOMNSA-N	208.345	3.220	0	1	BGAF	
COc1cc2occ(C)c2c2oc(=O)cc(C)c12	13652062	MVWCNHLEWGNXQL-UHFFFAOYSA-N	244.246	3.165	0	1	BGAF	
CC(C)(O)[C@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@H]2C1	34428887	LKKDASYGWYYFIK-DDHJSBNISA-N	240.387	3.115	0	1	BGAF	biogenic,in-vitro
Cc1ccc([C@@H]2CN3C=CSC3=N2)cc1C	169314164	ZKNIWBGWKBYQLP-LBPRGKRZSA-N	230.336	3.234	0	1	BGAF	
Oc1ccc(-c2cc(-c3ccco3)no2)cc1	169342533	WJFQTKOSEMJZGP-UHFFFAOYSA-N	227.219	3.307	0	1	BGAF	
COc1ccc2c(c1)[C@@]1(C)CCC(=O)C[C@@H]1CC2	3978927	MMDQZMROSQWSDC-LRDDRELGSA-N	244.334	3.268	0	1	BGAF	biogenic,in-vitro
CC1(C)CCC[C@]2(C)[C@@H]3COC(=O)C3=CC[C@H]12	238738625	UMUMRNRVJNFLPT-LALPHHSUSA-N	234.339	3.322	0	1	BGAF	
NO[C@@H](c1ccccc1)c1ccccc1Cl	1857592233	BWCXFGRUWWFVBM-ZDUSSCGKSA-N	233.698	3.320	0	1	BGAF	
C[C@H]1N(C)c2c(ccc3cccnc23)C1(C)C	2356840980	NDIGZFFCFIGTKL-SNVBAGLBSA-N	226.323	3.351	0	1	BGAF	
Cc1ccccc1NC(=N)Nc1ccccc1N	26485558	FJESKHWZPXIAKH-UHFFFAOYSA-N	240.310	3.036	0	1	BGAF	
CCCN1CCC[C@H](c2ccccc2OC)C1	29235143	UGSUUBPXDJGUAQ-ZDUSSCGKSA-N	233.355	3.285	0	1	BGAF	
CCCc1cc(C2CCCCC2)c[nH]c1=O	230473116	VGWMLHHFTHSIBB-UHFFFAOYSA-N	219.328	3.375	0	1	BGAF	in-vitro
CC1(C)C[C@H](O)CC2(C[C@@H](O)CC(C)(C)C2)C1	238735422	PHWSYPIHTRRUNC-GYZKLXCISA-N	240.387	3.115	0	1	BGAF	
Cc1cccc2nc([C@H]3CCCC(=O)CC3)[nH]c12	586886424	PPIQNTOFSWGMLJ-NSHDSACASA-N	242.322	3.488	0	1	BGAF	
CN1CCCC[C@@H]1CCC(=O)c1cccs1	13554220	JOQXBWQUNCZTSR-LLVKDONJSA-N	237.368	3.195	0	1	BGAF	
C[C@@H]1CC[C@]2(C)C(=O)c3ccoc3C[C@@]12C	14615370	CSUSIQBEPMPDCP-FZQKWOKYSA-N	218.296	3.461	0	1	BGAF	biogenic
c1ccc(CSc2nc3cc[nH]cc-3n2)cc1	103587741	CQYITNNLNIKMOF-UHFFFAOYSA-N	241.319	3.202	0	1	BGAF	
CC(C)O[C@@H]1Cc2c1nc1cccc3c1c2CC3	587213814	LLAZYLKGWVEDNW-CQSZACIVSA-N	239.318	3.356	0	1	BGAF	
CC1=C[C@@H]2OC(=O)[C@@]3(C)CCC[C@@]3(C)[C@H]2CC1	13412417	VCDRKAPIAYGOJF-NZBPQXDJSA-N	234.339	3.465	0	1	BGAF	
Nc1ccc(-c2csc3ccnc(N)c23)cc1	28703804	RSUCBZJSTXEGSF-UHFFFAOYSA-N	241.319	3.128	0	1	BGAF	in-vivo
Cc1ccc(-c2cn3nc(Cl)sc3n2)cc1	103219771	BVKWCMQQNDPFOU-UHFFFAOYSA-N	249.726	3.420	0	1	BGAF	
CNc1c(F)cccc1-c1nc2ccccc2[nH]1	587136245	XTGZCILPDXTGNG-UHFFFAOYSA-N	241.269	3.411	0	1	BGAF	
CCC[C@H](C)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587406430	QXBDWBWJSNHVJI-IINYFYTJSA-N	247.338	3.347	0	1	BGAF	
C[C@H]1CC=C2C3=C1C(=O)OC[C@]3(C)CC2(C)C	13378836	PCEVLQFNPPWJEB-VFZGTOFNSA-N	232.323	3.242	0	1	BGAF	biogenic
CC1=C[C@H](O)[C@@H]([C@@]2(C)CCCC2(C)C)CC1=O	14447152	IUKKWXIPRURLDK-CORIIIEPSA-N	236.355	3.099	0	1	BGAF	biogenic
CC(=O)CC[C@H]1Cc2c(ccnc2C)C1(C)C	14688574	RNURUJBYBMGADV-LBPRGKRZSA-N	231.339	3.209	0	1	BGAF	endogenous,in-man
Oc1cccc2c1Cc1c-2[nH]c2ccccc12	45393286	IMGWVISYLAOZSB-UHFFFAOYSA-N	221.259	3.445	0	1	BGAF	
O=C(O)c1c(O)cccc1/C=C/c1ccccc1	59077820	YZDMGNJPLDORQM-MDZDMXLPSA-N	240.258	3.261	0	1	BGAF	
COc1cccc(/C=C/c2ccc(O)cc2)c1O	299831048	IUDMJQLUJWAYCS-VMPITWQZSA-N	242.274	3.277	0	1	BGAF	
Cc1[nH]c2cc(F)ccc2c1Cn1ccnc1C	587635390	GWTTZJJKHFILRU-UHFFFAOYSA-N	243.285	3.169	0	1	BGAF	
CCCCn1cncc1-c1ccc(F)cc1	1911583213	JUAQVOUOQOVVJI-UHFFFAOYSA-N	218.275	3.489	0	1	BGAF	
Cc1ccc2c(n1)C[C@H](C(C)(C)O)CC[C@@H]2C	15265311	LWYMRLDOLMZJGZ-CMPLNLGQSA-N	233.355	3.217	0	1	BGAF	biogenic
c1ccc(N2N=NC[C@H]2c2cccnc2)cc1	26164178	QWOBGUWZAPTLJB-ZDUSSCGKSA-N	224.267	3.010	0	1	BGAF	
Oc1cc(-c2ccccc2)nc2c(O)cccc12	34412349	NIROGCCHQOZXIX-UHFFFAOYSA-N	237.258	3.313	0	1	BGAF	
Cc1cc2c(cc1Cl)[C@H]1CNC[C@H]1[C@@H]2C	36270563	LKSWCKLOGNAERN-JFUSQASVSA-N	221.731	3.069	0	1	BGAF	
COc1ccc(/C=C/c2ccc(O)cc2)c(O)c1	95635684	QUROIVPHCBSXHX-GORDUTHDSA-N	242.274	3.277	0	1	BGAF	in-vitro
Cc1nc(-c2cc3c4c(cccc4n2)CC3)co1	587212662	PVMYKXDYYWPSCC-UHFFFAOYSA-N	236.274	3.297	0	1	BGAF	
C[C@@H]1C=NN(C(=O)C(C)(C)C)[C@@H]1c1ccccc1	1857539441	NXCGYSQJUCIHFN-YPMHNXCESA-N	244.338	3.238	0	1	BGAF	
CC1=CCCC(CO)=C[C@H](O)CC(C)=CCC1	2356536209	RCJTUBLQPQRESN-OAHLLOKOSA-N	236.355	3.123	0	1	BGAF	
CCCC=CC=CCNC[C@H](O)CCCCC	2356626765	IPGLKLMWYXMYAB-OAHLLOKOSA-N	239.403	3.430	0	1	BGAF	
CC[C@H](C)CCN1CCN=C1Nc1ccccc1	36386646	ANAVBPOPMGWMHX-ZDUSSCGKSA-N	245.370	3.206	0	3	BGAF	
C[C@@H]1Cc2cocc2[C@@H](O)[C@@H]2CC(C)(C)C=C12	15168790	VFKMKXFLOYASKK-IUPBHXKESA-N	232.323	3.478	0	1	BGAF	biogenic
CC1=C2C(=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]23)C=C1	15264820	RXFYVUSLXOCLFO-VHRBIJSZSA-N	230.307	3.161	0	1	BGAF	
Fc1ccc(N2N=NC[C@@H]2c2ccncc2)cc1	26165415	PMQDTQNGTICGAV-CYBMUJFWSA-N	242.257	3.149	0	1	BGAF	
CC(C)CC1S[C@@H](C)N[C@@H](C)S1	32166986	FVPPILNIVWRBNY-JVHMLUBASA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CC[C@]1(C)C[C@@H]1c1nc2cccc(OC)c2[nH]1	586890990	QHLAEZPJJPDWHI-YMTOWFKASA-N	230.311	3.475	0	1	BGAF	
O=S1(=Nc2ccc(C(F)(F)F)cc2)CCC1	1772593414	JIBPWRMMGHQEQJ-UHFFFAOYSA-N	249.257	3.209	0	1	BGAF	
O=C1[C@@H]2CCc3ccccc3[C@@H]2N1c1ccccc1	36387658	PGNRUNAHXOIWJY-CVEARBPZSA-N	249.313	3.337	0	3	BGAF	
CCN1CCc2ccsc2[C@H]1C(C)C	28246101	HDKWPALIOLJGEH-LLVKDONJSA-N	209.358	3.323	0	1	BGAF	
O=C1c2ccccc2-c2nccc3cccc1c23	39408247	INSNNVNWDYCOBU-UHFFFAOYSA-N	231.254	3.446	0	1	BGAF	
Cc1ccc([C@@H]2CC=CCNC2)cc1Cl	95583816	YSGVIJFMBOEZJZ-GFCCVEGCSA-N	221.731	3.282	0	1	BGAF	
CCC[C@H](C)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587406429	QXBDWBWJSNHVJI-HZMBPMFUSA-N	247.338	3.347	0	1	BGAF	
Cc1ccc2c(c1)Oc1ccccc1C(=O)N2C	6522951	CVDPIRBJDQEVMC-UHFFFAOYSA-N	239.274	3.377	0	1	BGAF	
Cc1cc(Nc2ccccc2)n2nc(C)cc2n1	12526598	PREPYICETCHDFS-UHFFFAOYSA-N	238.294	3.090	0	1	BGAF	
Cc1coc2c1C[C@@]1(C)[C@@H](C)CCC(=O)[C@H]1C2	15220979	MHEQQQWHNMVBFL-NVBFEUDRSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
Oc1cccc2c1CC[C@H](Nc1ccccc1)C2	28865310	HTWAXLQYMGVNQF-AWEZNQCLSA-N	239.318	3.362	0	1	BGAF	
C/C=C(C)/C=C(\C)c1oc(=O)cc(OC)c1C	34383167	BESPHCFFTUQXNS-KZZDLZNXSA-N	234.295	3.326	0	1	BGAF	
Oc1ccc2c(c1)[C@H]1[C@@H](CC2)[C@@H]1c1ccncc1	36289337	TVJLBISYUFEUTM-CWRNSKLLSA-N	237.302	3.231	0	1	BGAF	
CC(C)(C)[C@@H]1CC(=O)C[C@@H](C(C)(C)C)N1N=O	103221734	JNWRTWLDWUDOQW-QWRGUYRKSA-N	240.347	3.162	0	1	BGAF	
CCCC/C=C/c1nc2cc(OC)ncc2[nH]1	587964657	AUJAMRLQBURNJE-VOTSOKGWSA-N	231.299	3.170	0	1	BGAF	
Oc1cccc2ccc(Oc3ccccn3)nc12	653740446	JTTMLTOULVMKAE-UHFFFAOYSA-N	238.246	3.128	0	1	BGAF	
CC=C(C)C=C(C)c1oc(=O)cc(OC)c1C	2356506373	BESPHCFFTUQXNS-UHFFFAOYSA-N	234.295	3.326	0	1	BGAF	
CC1=CC[C@H]([C@H](C)CC=CC(C)(C)O)C(=O)C1	2356508636	LPCOTPYTCRTQIU-CHWSQXEVSA-N	236.355	3.265	0	1	BGAF	
CC1=C[C@@H]2Cc3ccoc3C(C)(C)[C@@H]2C[C@H]1O	2356799098	TZMNNHGZFZBUOZ-JHJVBQTASA-N	232.323	3.057	0	1	BGAF	
Nc1scc(-c2ccncc2)c1Cl	3237976	NZPYFPLXCCGDDX-UHFFFAOYSA-N	210.689	3.046	0	3	BGAF	
CCCCn1c2c(c(=N)c3c1CCC3)CCCC2	6264817	RSTSCGHWUQVWKS-UHFFFAOYSA-N	244.382	3.135	0	1	BGAF	biogenic
CCCN1CC[C@H]2c3c(cccc3OC)CC[C@H]21	13826502	HPUKPOAWHHZLIX-ZIAGYGMSSA-N	245.366	3.209	0	1	BGAF	
Oc1ccc2c(c1)CC[C@@H]1[C@H]2[C@@H]1c1ccncc1	36289328	PMBWFLFXHMHHCP-XHSDSOJGSA-N	237.302	3.231	0	1	BGAF	
Clc1cccc([C@@H]2CCc3nc[nH]c3C2)c1	40980282	SNFFBYPCULSUGT-SNVBAGLBSA-N	232.714	3.336	0	1	BGAF	
Cc1cccc2nc(-c3cccc(CO)c3)[nH]c12	586894680	AZCZXHAYAFAITH-UHFFFAOYSA-N	238.290	3.031	0	1	BGAF	
CCC(CC)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587404503	FQKAFFLAVJFIGA-AWEZNQCLSA-N	247.338	3.347	0	1	BGAF	
CC1=CCC[C@](C)(O)C=C[C@H](C(C)(C)O)CC1	2356737025	LXGMYEYYXLQGAJ-HIFRSBDPSA-N	238.371	3.201	0	1	BGAF	
CC(C)[C@H]1C(=O)C[C@@H](C)[C@@]12CC[C@H](C)C(=O)C2	5103849	AGUISGUERLMHFF-JLUCKKNBSA-N	236.355	3.243	0	1	BGAF	in-man
CCCC[C@@H]1c2nc(N)nc3c2[C@@H](CC3)C[C@@H]1C	14594372	IECGAEWATGHTLG-DCAQKATOSA-N	245.370	3.402	0	1	BGAF	biogenic
CN[C@@]12CCCC[C@@H]1CCc1ccc(OC)cc12	26156164	ZQHRQDBVWWEKHW-CJNGLKHVSA-N	245.366	3.246	0	1	BGAF	
CN(C)CCCc1c[nH]c2cccc(Cl)c12	28344204	NEYKTXCIRZGHRE-UHFFFAOYSA-N	236.746	3.316	0	1	BGAF	
c1ccc2c(c1)C[C@H]1CN[C@H]2c2ccccc21	101168512	WJBGPJTZOSLZQG-BLLLJJGKSA-N	221.303	3.019	0	1	BGAF	
Cc1cnc(C)c(/C=C/c2ccccc2)n1	238745224	FVNPLROTBAEWRZ-CMDGGOBGSA-N	210.280	3.264	0	1	BGAF	
CC1=CC[C@@H]([C@](C)(O)CC=CC(C)(C)O)CC1	2356388580	KHPLSAWGYMTNML-UKRRQHHQSA-N	238.371	3.201	0	1	BGAF	
CCN(CC)[C@@H]1CCc2c(O)cccc2[C@@H]1C	27704519	DPTFGOTYFGUZBM-SMDDNHRTSA-N	233.355	3.152	0	1	BGAF	
O=C([C@H](F)CCCc1ccccc1)C(F)(F)F	49072932	ZJWMBXPFXFSELY-SNVBAGLBSA-N	248.219	3.479	0	1	BGAF	in-vivo
CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2C[C@@H](O)[C@H]3C	95910049	CLLPJTJAWPETTB-JYKNGBAOSA-N	220.356	3.386	0	1	BGAF	biogenic,in-vitro
CCc1ccc2[nH]c3c(c2c1)CCc1c[nH]nc1-3	96921637	QMUJYGXVZBMWTQ-UHFFFAOYSA-N	237.306	3.219	0	1	BGAF	
NC12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2	100801977	MWXAHLMUYMJXTG-KCNJBTMXSA-N	227.351	3.236	0	1	BGAF	
CC(C)[C@@H]1CC[C@@](C)(O)[C@H]2[C@H]3C[C@@H](C)C[C@]123	2356443884	CKZXONNJVHXSQM-RBTXIFOQSA-N	222.372	3.466	0	1	BGAF	
CCCC[C@H]1[C@@H](O)CCC[C@@]12CCCCN2C	28009942	JQAAYMWQZFOCNY-KKUMJFAQSA-N	239.403	3.192	0	1	BGAF	
CC[C@H](C)Cc1cccc([C@H](C)C(=O)O)c1	28467412	MKEVMCJZLHDVPO-QWRGUYRKSA-N	220.312	3.463	0	1	BGAF	in-vivo
O=C1C[C@H]2CCC[C@@](Oc3cccc(O)c3)(C1)C2	29416478	AWSUVPXTHHRVQU-ABAIWWIYSA-N	246.306	3.063	0	1	BGAF	
CC(C)=CCOc1cccc2ccc(=O)oc12	84731964	NOBMLJAANWLSTC-UHFFFAOYSA-N	230.263	3.138	0	1	BGAF	
CC(C)=CCOc1cccc2oc(=O)ccc12	84732949	IEHIAQSTRQUJGH-UHFFFAOYSA-N	230.263	3.138	0	1	BGAF	
C[C@@H]1C[C@H]2COC(=O)C2=CC2=C1CC(C)(C)C2	85994873	ZCBVTSFTERVLKT-KOLCDFICSA-N	232.323	3.242	0	1	BGAF	
CC[C@@H](C)C1S[C@@H](C)N[C@@H](C)S1	95620596	BLDFHTPIEUHZJY-JSXQXQAOSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
Cc1cccc(NC2=N[C@@H](C)CC2)c1C	143013407	UINIHUSFDWMIKU-JTQLQIEISA-N	202.301	3.296	0	1	BGAF	
CCOC(=O)c1ccc2nc([C@@H](C)CC)[nH]c2c1	587954699	BDCVBAIFJJGYGX-VIFPVBQESA-N	246.310	3.253	0	1	BGAF	
CC[C@H](C)c1nc2cc(OC)cc(OC)c2[nH]1	587955725	LDMCGWNPUKKWPO-QMMMGPOBSA-N	234.299	3.094	0	1	BGAF	
CC(C)[C@@H]1OC(=O)[C@@H]1CCCc1ccccc1	1857613195	ZNZRDTZGOYRHHC-KGLIPLIRSA-N	232.323	3.207	0	1	BGAF	
c1cnc(-c2nc(-c3cccs3)cs2)nc1	1857756282	MFXRJUUEDPVMKZ-UHFFFAOYSA-N	245.332	3.329	0	1	BGAF	
Oc1cc(-c2cccnc2)cc2cccnc12	36380956	CGZAZVKTQXKENL-UHFFFAOYSA-N	222.247	3.002	0	3	BGAF	
O=C1Oc2ccccc2Oc2ccccc21	2020198	YCJBWNIROIXYPD-UHFFFAOYSA-N	212.204	3.012	0	1	BGAF	in-vitro
CC1=CC(=O)[C@H]([C@H](C)CCC[C@@H](C)CO)CC1	13377658	MAXNBGSKPQFIED-MCIONIFRSA-N	238.371	3.347	0	1	BGAF	biogenic
Cc1cc(/C=C/c2cc(C)c(O)c(C)c2)[nH]n1	13820015	CJYWMUBMXOPPSA-SNAWJCMRSA-N	228.295	3.211	0	1	BGAF	
Clc1cccc2c1C=C(C[C@H]1CN=CN1)CC2	13862055	MBYRWLFNVFMLCK-LBPRGKRZSA-N	246.741	3.060	0	1	BGAF	
C[C@@H]1O[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1	586916769	DEMNNIUAEMWTMW-SSDLBLMSSA-N	242.200	3.042	0	1	BGAF	
Cc1[nH]c2cc(F)ccc2c1CCCN(C)C	587635833	UNNFQZWSOZZERJ-UHFFFAOYSA-N	234.318	3.110	0	1	BGAF	
Cc1sc(-c2cnc3ccccc3c2)nc1O	13822554	WFENTPFCRDLRTE-UHFFFAOYSA-N	242.303	3.372	0	1	BGAF	
CC(C)/C=C1/C[C@H](Cc2ccccc2)OC1=O	28474792	ACXYLMMTNYPGKI-MQJVFOOVSA-N	230.307	3.127	0	1	BGAF	
CO[C@]1(c2ccccc2)CCCC[C@@H]1CN(C)C	29128626	HRKLUXSFAYPUIK-CVEARBPZSA-N	247.382	3.280	0	1	BGAF	
C[C@@H]1CC=C2[C@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	140118596	RMMXVRYYNCFLLS-APACUCGBSA-N	220.356	3.386	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2C1=CC[C@@]1(C)[C@@H](O)CC[C@@H]21	169291278	MIZURHXEGUWOLO-IFXMJZAHSA-N	248.366	3.099	0	1	BGAF	
Fc1c(F)c(F)c2[nH]c(CC3CC3)nc2c1F	587958621	BTJNIEQGXYZOFY-UHFFFAOYSA-N	244.191	3.072	0	1	BGAF	
NCc1cc2ccc(-c3cccnc3)cc2s1	1857612228	AUDKCQUQOWZECJ-UHFFFAOYSA-N	240.331	3.422	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]3CO[C@@]4(C)CC[C@@]12C[C@@H]34	2356413349	XTUCGACHIRHVPO-QTJJRWQNSA-N	206.329	3.238	0	1	BGAF	
CC(C)=C[C@@H](O)C/C(C)=C/CC/C(C)=C/CO	15213737	RAFAKSIGGWRDFJ-NBBISAKRSA-N	238.371	3.369	0	1	BGAF	endogenous,in-man
C/C(=C/CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	33833599	NZSCHTYUGUVLHG-WRSOCAACSA-N	234.339	3.480	0	1	BGAF	biogenic,in-vitro
C[C@]12CC[C@H](c3ccc(O)cc3)C[C@@H]1CC[C@@H]2O	40862192	CEOUGJNTPKXUFS-SDADXPQNSA-N	246.350	3.437	0	1	BGAF	in-vitro
Cn1c(/C=C/c2cccc[n+]2C)cc2ccccc21	49583039	UMJOAYOKGYZACD-UHFFFAOYSA-N	249.337	3.173	0	1	BGAF	
CCCC/C(O)=C/c1nc2ccccc2nc1O	101748780	KZJDYOMMBBPATQ-KTKRTIGZSA-N	244.294	3.425	0	1	BGAF	aggregator
CC[C@@H](C)c1nc2ccc(Cl)nc2[nH]1	587954751	BZXFSDWLCBFWGG-ZCFIWIBFSA-N	209.680	3.125	0	1	BGAF	
CC(C)=CCC/C(C)=C\c1nc2ncc[nH]c-2n1	587969563	ZMPUDCFLSRTXRF-LUAWRHEFSA-N	242.326	3.454	0	1	BGAF	
CCCCCC=C(C(=O)O)[C@H](C)C(=O)CC	2356396326	HXNJREREBYTEGW-JTQLQIEISA-N	226.316	3.193	0	1	BGAF	
CN(c1ccccc1)c1cc2ccccc2nn1	1631693	UZJUJYQZXBXUBO-UHFFFAOYSA-N	235.290	3.398	0	1	BGAF	
CS[C@H]1C(=O)Nc2ccc3ccccc3c21	5922249	SLGYWHYIUUFYBT-GFCCVEGCSA-N	229.304	3.196	0	1	BGAF	
C[C@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	12153083	AYXPYQRXGNDJFU-VUZIRADBSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
CC[C@H]1OCCC[C@H]1c1nc2ccccc2[nH]1	586914848	YPXUNGAVGAYWLL-ZWNOBZJWSA-N	230.311	3.236	0	1	BGAF	
CC1=C2C[C@H](C(C)(C)O)CC[C@@]2(C)[C@@H](O)CC1	15208298	ODLSRDICGYLIRN-OSAQELSMSA-N	238.371	3.035	0	1	BGAF	biogenic
FC[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12	27889867	LGHXZBIPTSRPJL-JKSUJKDBSA-N	239.293	3.100	0	1	BGAF	
CN1CCC(Sc2c[nH]c3ccccc23)CC1	27893266	GFEGJRWQLJEXHJ-UHFFFAOYSA-N	246.379	3.354	0	1	BGAF	
CC(C)(C)CC(=O)CN[C@H]1C[C@@H]1c1ccccc1	96172272	CGUOIEDXLVPBFH-CABCVRRESA-N	245.366	3.137	0	1	BGAF	
Oc1c(F)cc(F)cc1-c1nc2ccccc2o1	1857574498	MDHVJSXXJQRANJ-UHFFFAOYSA-N	247.200	3.479	0	1	BGAF	
c1ccc(N2[C@@H]3[C@H]4C[C@@H]([C@@H]5CCC[C@@H]45)[C@H]32)cc1	104292272	YFWARTKNDZZMCY-OWDFPOFWSA-N	225.335	3.310	0	3	BGAF	
Clc1cccc2c1CN(c1ccncc1)CC2	13489840	AGCMMQLWZZLYDX-UHFFFAOYSA-N	244.725	3.298	0	1	BGAF	
CC(C)=C[C@H]1C[C@@H](C)[C@H]2C[C@@H](O)C(C)=C[C@@H]2O1	238786798	OEZSPFGKGBIPMN-RCSLCFTFSA-N	236.355	3.073	0	1	BGAF	
Oc1ccc2nc(C3(F)CCCCC3)[nH]c2c1	587132162	LPTYKKZATJGOCJ-UHFFFAOYSA-N	234.274	3.397	0	1	BGAF	
Fc1cccc(-c2ccc3c[nH]nc3c2)c1	1250569520	SPRPKYUQRBEFSZ-UHFFFAOYSA-N	212.227	3.369	0	1	BGAF	
CCn1cncc1-c1c[nH]c2ccc(F)cc12	1857584914	OSQZSGVXQCMNOL-UHFFFAOYSA-N	229.258	3.190	0	1	BGAF	
CC(C)c1ccc(CO)c2ccc(C(=O)O)cc12	1857608459	XDFBDNHBCVBCQX-UHFFFAOYSA-N	244.290	3.154	0	1	BGAF	
COc1ccc([C@H]2Cc3ccccc3O2)cc1O	2356283272	KIEGOZVZHYJEGD-OAHLLOKOSA-N	242.274	3.077	0	1	BGAF	
Oc1cc(-c2ccncc2)cc2cccnc12	36380957	MWHLEZSFILYZPP-UHFFFAOYSA-N	222.247	3.002	0	3	BGAF	
C1=C2C3=[N+](CCCCC3)C[C@@H]2Cc2ccsc21	6010134	HNXLSOPCCOAWEQ-LBPRGKRZSA-N	244.383	3.345	0	1	BGAF	
C[C@H]1C[C@@]23[C@H]4CCCN2CCC[C@@]3(CCC4=O)C1	6031603	RVZXICZITJIXKD-CLWVCHIJSA-N	247.382	3.010	0	1	BGAF	in-vitro
CC1(C)CCC[C@]2(C)[C@@H]3[C@H](CC[C@H]12)CO[C@H]3O	15159625	JQLJPTCKTYQKIH-HVNMYJMUSA-N	238.371	3.194	0	1	BGAF	biogenic
CC(=O)c1ccc(C2=CN3CCC2CC3)s1	26673151	UEPTUEJDVFQHBN-UHFFFAOYSA-N	233.336	3.017	0	1	BGAF	
O=C(CF)Nc1ccccc1Oc1ccccc1	40935393	YYCGOSMOZFIPEF-UHFFFAOYSA-N	245.253	3.387	0	1	BGAF	
CC(C)C[C@@H]1N[C@@H](C)S[C@H](C)S1	212543292	TWYULKMKVIUSSQ-HRDYMLBCSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
Cc1[nH]c2cccc(F)c2c1C(=O)C(F)(F)F	587633348	AYAIZEZUIDYNLM-UHFFFAOYSA-N	245.175	3.360	0	1	BGAF	
CC1=C2CC[C@@H](C)C[C@@]23O[C@H]1[C@H](C)C(=O)[C@H]3C	103208099	LSOXNOSWTCYVDM-DBXNAHGSSA-N	234.339	3.115	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]1[C@H]1C[C@H](O)[C@@](C)(C1)C2(C)C	2356692624	FJUSPHRLRVCESP-RGOPTCMMSA-N	222.372	3.466	0	1	BGAF	
Cc1ccc2c(c1)[C@]1(C)N[C@H](C2)c2ccccc21	1494583	DGTUVJAVPZIMON-IAGOWNOFSA-N	235.330	3.459	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3C	1767501	WCKUJGKZDWKKKF-TZQJONAQSA-N	234.339	3.465	0	1	BGAF	biogenic
C=C1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C=C12	15208067	BYOSLFDXLVEURJ-UKRRQHHQSA-N	230.307	3.305	0	1	BGAF	biogenic
Cc1ccc2c(c1)[S@@](=O)c1ccccc1O2	26184538	OXGBYRMYNIZJMU-MRXNPFEDSA-N	230.288	3.267	0	1	BGAF	
COc1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2	29123476	NIBZRLOPEXODLU-UHFFFAOYSA-N	238.286	3.469	0	1	BGAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]31	257382665	AZCJPMYIWXNBMH-XZBVAUNFSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
C1=C[C@@]2(CCCO2)OC1=Cc1cccs1	2356575399	LLZQYUSTIRVCPF-GFCCVEGCSA-N	220.293	3.182	0	1	BGAF	
Cc1ccc(C2=NC3(CCCC3)N=C2S)cc1	13573826	OQLXSWDCDYHJPM-UHFFFAOYSA-N	244.363	3.396	0	3	BGAF	
O=N/C(=C1\C=CC=CN1)[C@@H]1C[C@@H]1c1ccccc1	103918966	YQVURMCSNDHQOF-QWBYSSASSA-N	238.290	3.441	0	3	BGAF	
CC(C)CC(=O)Oc1ccc([C@@H]2O[C@H]2C)cc1	14504143	XJCYTMWTYJBKQV-IINYFYTJSA-N	234.295	3.098	0	1	BGAF	biogenic
CC1=CCC[C@]2(C)CC[C@@H]3[C@@H](C)C(=O)O[C@H]3[C@@H]12	15207272	IXDWMLXBELBEAC-FTQJZPFOSA-N	234.339	3.321	0	1	BGAF	
CC(C)c1ccc2c(c1)[C@H]1OC(=O)N[C@@H]1CCC2	26643352	BXYOFMNACOROSI-ZIAGYGMSSA-N	245.322	3.296	0	1	BGAF	
c1nc([C@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1	35033871	NESASFDNMLPZIR-KGLIPLIRSA-N	247.386	3.073	0	1	BGAF	
CC[C@@H](C)CCCCc1cc(O)c(C)c(=O)o1	103291448	CWVDWOPGUAUQDD-SNVBAGLBSA-N	238.327	3.413	0	1	BGAF	
CC(C)(Cl)c1nc2cc(F)c(F)cc2[nH]1	587008713	QVEDCKPSBLRFPW-UHFFFAOYSA-N	230.645	3.315	0	1	BGAF	
C1=C2c3ccccc3CC[C@H]2N2CCC[C@H]2C1	1772610698	RJJPUPDKQDJCIG-XJKSGUPXSA-N	225.335	3.253	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3COC(=O)[C@@H]3C=C[C@H]12	2356713531	LWPYNNASMDSKKZ-RTWAVKEYSA-N	234.339	3.178	0	1	BGAF	
Cc1cnc2ncc3sccc3c2c1	5798766	HGLUAMCKERVPSQ-UHFFFAOYSA-N	200.266	3.153	0	3	BGAF	
CC(=O)CC[C@H](O)c1cc2occ(C)c2cc1C	14694218	ZBUBJXXTGLTVJY-AWEZNQCLSA-N	246.306	3.452	0	1	BGAF	biogenic
C/C(=C\c1ccccc1)c1cc[n+](C)cc1	26840269	GLGJVQXSTKZUQN-OUKQBFOZSA-N	210.300	3.072	0	1	BGAF	
N=C(N)Nc1ccc(Sc2ccccc2)cc1	33505313	LASAIDDIJWLKJR-UHFFFAOYSA-N	243.335	3.143	0	1	BGAF	
Clc1ccc(-c2cc3[nH]ccnc-3n2)cc1	100827446	WKQJBLUDYFKILR-UHFFFAOYSA-N	229.670	3.230	0	1	BGAF	
N[C@H](N=O)c1ccc(-c2ccccc2)nc1Cl	957611462	LQTLNOKPQIPTJR-GFCCVEGCSA-N	247.685	3.126	0	1	BGAF	
CC1=C[C@@H]2Cc3ccoc3C(C)(C)[C@@H]2C[C@@H]1O	2356799099	TZMNNHGZFZBUOZ-UPJWGTAASA-N	232.323	3.057	0	1	BGAF	
CC1=C[C@@H]2[C@H](C)C(=O)C[C@H]2[C@@H](C(C)C)CC1=O	15210342	ROSDDZANWHTUAA-LOWDOPEQSA-N	234.339	3.019	0	1	BGAF	biogenic
Cc1ccc2c(n1)C[C@@H](C(C)(C)O)CC[C@@H]2C	15265315	LWYMRLDOLMZJGZ-JQWIXIFHSA-N	233.355	3.217	0	1	BGAF	biogenic
C[C@]12CC=C(c3ccc(O)cc3)C[C@@H]1CC[C@@H]2O	79920813	XBWTXUWSQSKTNB-BPUTZDHNSA-N	244.334	3.347	0	1	BGAF	
CC(C)C(=O)[C@H]1CC[C@]2(O)CCC[C@H](C)[C@@]12C	95910543	HUQLDUXYHVFPRA-MYZSUADSSA-N	238.371	3.179	0	1	BGAF	biogenic,in-vitro
C[C@@H](F)[C@@H](N)c1nc2cccc(C(C)(C)C)c2[nH]1	587125278	RYSRCPZWTYBAOT-LDYMZIIASA-N	249.333	3.218	0	1	BGAF	
Cc1[nH]c2cc(F)ccc2c1C(=O)C(F)F	587634411	XWCOAYYERJIVAA-UHFFFAOYSA-N	227.185	3.063	0	1	BGAF	
c1ccc(-c2nscc2Cn2ccnc2)cc1	1772652580	YPEWBNWSYYFZIS-UHFFFAOYSA-N	241.319	3.055	0	1	BGAF	
CC(C)[C@@H]1CC(=O)[C@H](C)[C@@]12CC[C@@H](C)C(=O)C2	2356650604	LAEJTNRXQGCKMM-YXMPFFBPSA-N	236.355	3.243	0	1	BGAF	
CC1=C(N)N(Cc2ccc(Cl)cc2)[CH]C=C1	2356819354	GAZXPNRHLPCVFB-UHFFFAOYSA-N	233.722	3.064	0	1	BGAF	
CC(C)=CC(=O)[C@@H]1CCC(C)=CC(=O)C[C@H]1C	5763489	QSEXTUGQYXMUHW-TZMCWYRMSA-N	234.339	3.473	0	1	BGAF	biogenic
C[C@@H]1CCC2=C3C1=COC[C@@]3(C)[C@@H](O)C2(C)C	15153414	FMUFYIFXWSUYSC-ZDBHGNHJSA-N	234.339	3.034	0	1	BGAF	biogenic
Clc1ccc([C@H]2C[C@H]3CCCC[C@@H]2N3)cn1	28372489	PSZQXCJRVPDKIE-UTUOFQBUSA-N	236.746	3.123	0	1	BGAF	
CN[C@@]12CCCC[C@H]1CCc1sccc12	29571627	VNNMGRAPRKCQFK-GWCFXTLKSA-N	221.369	3.299	0	1	BGAF	
CCc1cccc2[nH]c3c(c12)C[C@@H](N(C)C)CC3	39214057	RQIODBKLHDKUFO-LBPRGKRZSA-N	242.366	3.149	0	1	BGAF	
CC(C)(O)CC(C)(C)c1cc(Cl)ccc1O	45315442	QDWHJBQDGJZHTJ-UHFFFAOYSA-N	242.746	3.484	0	1	BGAF	
C[C@H]1CC[P@](=O)(c2ccccc2)CC1	103134509	CGZRBFVZQAYZCU-VDISTLRHSA-N	208.241	3.105	0	1	BGAF	
CC1(C)CC=C[C@@]2(C)O[C@]3(C)CC[C@@]12O3	104373812	QXHORPLJTIHQGR-FRRDWIJNSA-N	208.301	3.027	0	1	BGAF	endogenous,in-man
C(=C/c1nc2cnccc2[nH]1)\c1ccsc1	587025864	OVDVCNCXROYCPG-OWOJBTEDSA-N	227.292	3.190	0	1	BGAF	
COc1cncc2nc([C@@H]3CC=CC[C@H]3C)[nH]c12	587967607	QNPADSDEQPKJGY-NXEZZACHSA-N	243.310	3.036	0	1	BGAF	
CC(C)=C/C=C1\C(=O)N(C)c2ccccc21	1772579924	WJYVWRXGGWOEMJ-XFXZXTDPSA-N	213.280	3.013	0	1	BGAF	
CC[C@@H](CCn1cncn1)c1ccc(C)cc1	1857634134	RNDJZZLBJHNIAQ-ZDUSSCGKSA-N	229.327	3.170	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C)CCC(=O)[C@@]3(C)C[C@@H]2OC1	2356666243	JQEOEYITCFFMNV-JWFUOXDNSA-N	234.339	3.117	0	1	BGAF	
CCN1CCC=C(c2c[nH]c3ccc(F)cc23)C1	26748434	ZBMGBBOPUDGNJA-UHFFFAOYSA-N	244.313	3.416	0	1	BGAF	
CCCCCCc1cc(=O)c2ccccc2n1O	28643814	SRTMHBUZEWONDZ-UHFFFAOYSA-N	245.322	3.362	0	1	BGAF	
CN[C@]12CCCC[C@@H]1CSc1ccccc12	29568996	YRHAAMNUSVMHDY-BXUZGUMPSA-N	233.380	3.397	0	1	BGAF	
CCCC[C@@H]1NCCc2cc(O)c(Cl)cc21	45262029	UCHLMHDIBLECGN-LBPRGKRZSA-N	239.746	3.423	0	1	BGAF	
CC(=O)CC[C@H]1[C@@H]2C(=O)CC[C@]2(C)CC1(C)C	85853940	GTUMAHOVZNSHNI-NJZAAPMLSA-N	236.355	3.387	0	1	BGAF	
C[C@@]12N[C@H](Cc3ccc(F)cc31)c1ccccc12	100649098	AQCDEBMTYPJJSD-CVEARBPZSA-N	239.293	3.290	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]3CO[C@]4(C)CC[C@@]12C[C@@H]34	2356413348	XTUCGACHIRHVPO-QQOHENMQSA-N	206.329	3.238	0	1	BGAF	
CCCCN1C(S)=NC[C@@H]1c1ccccc1	15952978	MWPTUNSIFAINSQ-GFCCVEGCSA-N	234.368	3.129	0	3	BGAF	
Oc1ccc2[nH]c3c(-c4ccc[nH]4)nccc3c2c1	5161662	WDLOHMDDICIDKH-UHFFFAOYSA-N	249.273	3.417	0	1	BGAF	biogenic
CC(C)=CCC[C@H](C)[C@@H]1CCC(CO)=CC1=O	14444312	XLSXOQZUYPFQQM-JSGCOSHPSA-N	236.355	3.267	0	1	BGAF	biogenic
CN1CCC=C(c2c[nH]c3ccc(F)cc23)C1	26745035	NEKXNSJHTIYFEH-UHFFFAOYSA-N	230.286	3.026	0	1	BGAF	
CN(C)CCc1cccc(-c2ccccc2)c1	28821762	ZMTHYJFLTGNPHJ-UHFFFAOYSA-N	225.335	3.458	0	1	BGAF	in-vivo
O=C(O)c1cccc(/C=C/c2ccc(O)cc2)c1	221739162	KNXROYFVTYZPCH-SNAWJCMRSA-N	240.258	3.261	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@@H](O)[C@@H]13	257503335	OKGYYQFRSOUSFJ-LZXPERKUSA-N	222.372	3.466	0	1	BGAF	biogenic
Fc1cnc(Cl)c2[nH]c(C3CCC3)nc12	586883224	ACFUJSGJYNRHAH-UHFFFAOYSA-N	225.654	3.018	0	1	BGAF	
Cc1c2c(nc3ncccc13)-c1c(N)cccc1C2	587211556	TZSAKCYRAQGPEN-UHFFFAOYSA-N	247.301	3.092	0	1	BGAF	
Oc1c(Br)oc2c(F)cccc12	957644902	SFQWNDQIRUURLV-UHFFFAOYSA-N	231.020	3.040	0	1	BGAF	
C=C1CC[C@@H]2[C@H](C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]1[C@@H]32	13366030	QCZOKYUBABLGDD-LSWSCSCTSA-N	234.339	3.176	0	1	BGAF	biogenic
C[C@H]1CCC=C2[C@@H](O)C[C@H]3[C@H](C3(C)C)[C@@]21C	13372655	ARZRZIVMAWEEFY-FIRSIQCYSA-N	220.356	3.386	0	1	BGAF	
c1ccc2c(c1)Cc1ccccc1C21CCCNC1	26384564	ATTXDPLNOZADEG-UHFFFAOYSA-N	249.357	3.260	0	1	BGAF	
COC(=O)/C=C\c1ccc(O)c(CC=C(C)C)c1	111434061	LZEOAWXRNGQEHO-TWGQIWQCSA-N	246.306	3.087	0	1	BGAF	
Oc1coc2c(Br)cc(F)cc12	957650930	JECMTYBSLRLYKI-UHFFFAOYSA-N	231.020	3.040	0	1	BGAF	
CC1(C)CC=C[C@@]2(C)O[C@]3(C)CC[C@]12O3	13457478	QXHORPLJTIHQGR-AGIUHOORSA-N	208.301	3.027	0	1	BGAF	in-man
CN1CCc2cccc(-c3ccccc3)c2C1	28021594	XBKQADUXVZAYDY-UHFFFAOYSA-N	223.319	3.342	0	1	BGAF	in-vivo
C[C@H]1CNCCc2cc(Cl)c(Cl)cc21	28132112	KTCVEIAEKPSBCJ-ZETCQYMHSA-N	230.138	3.243	0	1	BGAF	
C[C@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	238751020	AYXPYQRXGNDJFU-UZFDSVHDSA-N	222.372	3.466	0	1	BGAF	
CC1=CCC2=C(C)C(=O)O[C@@H]2OCC(C)=CCC1	2356653346	CJMJPQQIHVKOOH-HNNXBMFYSA-N	248.322	3.279	0	1	BGAF	
N[C@H]1C2C[C@@H]3C[C@H](C2)CC1(Cc1ccccc1)C3	29135219	PUOAXAQCVOTVQP-YKDOHLLJSA-N	241.378	3.383	0	1	BGAF	
COc1ccc2ccc(=O)oc2c1/C=C/C(C)C	39289503	QQWKWTAYQQZAMH-QPJJXVBHSA-N	244.290	3.471	0	1	BGAF	
CC[C@@H](Cc1ccc(O)cn1)c1ccc(O)cc1	43016773	XXEZNRVREINOCX-NSHDSACASA-N	243.306	3.229	0	1	BGAF	
Oc1[nH]c2ccccc2c1C1=NCCCCC1	101756512	SCIAMDMLNUMNAD-UHFFFAOYSA-N	228.295	3.237	0	1	BGAF	
C[C@H](F)[C@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1	587123207	HZGNISFIDZOZMS-UFBFGSQYSA-N	249.333	3.218	0	1	BGAF	
c1cc2c3c(cc(C[C@@H]4CCCO4)nc3c1)CC2	587215096	BEWRYLLDPYAWMV-AWEZNQCLSA-N	239.318	3.055	0	1	BGAF	
F[C@@H]1C2=C(SC1(F)F)[C@H]1CC[C@@H]2C1	5600475	BNWKOGOFYDNKHF-GLDDHUGJSA-N	206.232	3.348	0	1	BGAF	
C[C@@H](N)Cn1ccc2ccc3ccccc3c21	29330705	CHMOSHFVZGKONH-LLVKDONJSA-N	224.307	3.142	0	1	BGAF	
c1csc([C@@H](NC2=NCCCC2)C2CC2)c1	39200599	VHNMPXXNYLJDCV-ZDUSSCGKSA-N	234.368	3.371	0	1	BGAF	
c1ccc(C2=N[C@]3(CCCCO3)CCS2)cc1	169316188	STERWZZRRNVTND-AWEZNQCLSA-N	247.363	3.467	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2cc(C)cnc2[nH]1	586887267	FWFDUGOGAXFRTC-RNCFNFMXSA-N	215.300	3.170	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)-c1cc[nH]c1CC4)CC2	587213108	YGRBOZFYYFVMCM-UHFFFAOYSA-N	246.313	3.427	0	1	BGAF	
CCC[C@H]1C[C@@](C)(O)[C@@H]2CC[C@@H](C)C[C@H]2O1	1857637080	DBQRPCDZAKIRTM-XVIXHAIJSA-N	226.360	3.131	0	1	BGAF	
Cc1cccc2c1NC1=C(CCCC1)[C]2N	2356836554	LYBVJJKVWULDMJ-UHFFFAOYSA-N	213.304	3.087	0	1	BGAF	
CN(C)[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	27656890	COWDKPMELZNFIV-BJJXKVORSA-N	227.351	3.430	0	1	BGAF	
O=C1[C@@H]2CCC=CCC[C@H]2N1Cc1ccccc1	101371085	NWAIKZYIQAWVJV-HUUCEWRRSA-N	241.334	3.144	0	1	BGAF	
Cc1cc(-c2cc3c4c(cccc4n2)CC3)ncn1	587211493	FPVIPPTXKJBOFC-UHFFFAOYSA-N	247.301	3.099	0	1	BGAF	
CO[C@@H](C)c1cc2c3c(cccc3n1)CC2	587212038	OBWZEYAAJIFEFS-VIFPVBQESA-N	213.280	3.041	0	1	BGAF	
Cc1c(-c2ccnn2C)[nH]c2cc(F)ccc12	587636137	RQQGIAZEOHMLBT-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
C[C@@H]1CCC[C@@]23C[C@H]4[C@@H](C(=O)[C@]12C)[C@@]4(C)C3	2356411511	RFMRPDNVGQZVJI-DWJLGYRFSA-N	218.340	3.428	0	1	BGAF	
C[C@@H]1CC[C@H]2c3ccc(O)cc3CC[C@H]2C1=O	2356543349	MAADCTVGGLZKQS-BIGNPOOSSA-N	230.307	3.037	0	1	BGAF	
O=C1[C@@H]2CCc3ccccc3[C@H]2N1c1ccccc1	36387657	PGNRUNAHXOIWJY-HZPDHXFCSA-N	249.313	3.337	0	3	BGAF	
c1ccc2c(c1)c1c3n2-c2cc(on2)[C@@H]3CCC1	5582763	VGLFNYFIVQFYAY-NSHDSACASA-N	236.274	3.400	0	1	BGAF	
CN(C)C[C@H](O)CCCCCCc1ccccc1	87613287	WAASHIILHROFCW-MRXNPFEDSA-N	249.398	3.102	0	1	BGAF	
CCCCCCNC1=NCCc2ccccc21	169330206	POYIQWROJLWBGG-UHFFFAOYSA-N	230.355	3.159	0	1	BGAF	
O=Cc1cc(-c2cccs2)cc(F)c1O	169699564	ZODKJLYQIFWFAO-UHFFFAOYSA-N	222.240	3.072	0	1	BGAF	
C[C@@H]1CC[C@@H]2C[C@](C)(O)C[C@@H]3[C@H]([C@H]12)C3(C)C	2356518341	NKIWRYQBASKLRK-RWXDJMAFSA-N	222.372	3.466	0	1	BGAF	
CCCCCC=CC[C@@H]1OC(=O)C[C@H]1C	2356539349	LHLQGGXPUHSSSP-NEPJUHHUSA-N	210.317	3.465	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C)CCC(=O)[C@@]3(C)C[C@H]2OC1	2356666245	JQEOEYITCFFMNV-OBEQPXDXSA-N	234.339	3.117	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)C=COC=C[C@H]2C1	2356754939	WARXHLUDWXLGBE-MBNYWOFBSA-N	222.328	3.238	0	1	BGAF	
CCCN(C)[C@@H]1CCc2ccc3[nH]ccc3c2C1	13741730	WSLVLAZYRCUHNL-CYBMUJFWSA-N	242.366	3.367	0	1	BGAF	
N#Cc1c2nssc-2c(Cl)c1Cl	136365081	JRVQKXSMUFTTPG-UHFFFAOYSA-N	235.120	3.488	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2c(C)nc(C)cc2[nH]1	586893407	XMOGTSXCGFQSAT-YGRLFVJLSA-N	229.327	3.478	0	1	BGAF	
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccccc13	13651057	IHBSVVZENGBQDY-IXDOHACOSA-N	241.378	3.375	0	1	BGAF	
O=C(Oc1cccc(Cl)n1)c1cccs1	28636326	ZVGSYTBMLICAHH-UHFFFAOYSA-N	239.683	3.016	0	1	BGAF	
COc1cc(O)ccc1/C=C/c1ccc(O)cc1	35803845	ZEOXEMUDWLRGPB-GORDUTHDSA-N	242.274	3.277	0	1	BGAF	
Cc1ccc2cc3n(c(=O)c2c1)Cc1ccccc1-3	40977234	PUVCQPJRXOIWBH-UHFFFAOYSA-N	247.297	3.339	0	1	BGAF	
Oc1ccc2c(c1)CC[C@H]1[C@@H](c3ccncc3)[C@H]21	100025728	PMBWFLFXHMHHCP-ARFHVFGLSA-N	237.302	3.231	0	1	BGAF	
CCOc1c2ccccc2nn1C(C)C	299839544	YOPABPHLJBFZSA-UHFFFAOYSA-N	204.273	3.016	0	1	BGAF	
CC[C@@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1	587402690	GLRUQRSFWJUTGO-HNNXBMFYSA-N	247.338	3.347	0	1	BGAF	
Cc1[nH]c2cccc(F)c2c1C(=O)C(F)F	587633479	DCXOAEYNAVJGNI-UHFFFAOYSA-N	227.185	3.063	0	1	BGAF	
CCCNC[C@H](O)c1oc2ccccc2c1CC	13529379	GEZXOQACQRMLMK-ZDUSSCGKSA-N	247.338	3.028	0	1	BGAF	
CCSC(=O)N(O)c1ccc(Cl)cc1	29485859	ODRPAKVEOFPNOQ-UHFFFAOYSA-N	231.704	3.409	0	1	BGAF	
Oc1cc(O)cc(-c2ccc3cnccc3c2)c1	95554630	SQULUHSLNUNSTM-UHFFFAOYSA-N	237.258	3.313	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]13	104373013	AZCJPMYIWXNBMH-UJOWSUJOSA-N	222.372	3.466	0	1	BGAF	in-man
Cc1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12	139614038	MCVKLWWQWNGWDC-UHFFFAOYSA-N	243.184	3.193	0	1	BGAF	
CC(=O)[C@H]1CC[C@]2(C1)C(C)=CC[C@H](C)[C@@]2(C)O	140491252	YRDQPZFHCDPJPY-HPEDKQMDSA-N	236.355	3.099	0	1	BGAF	
CCC[C@H](c1nc2c(N)ccnc2[nH]1)C(C)C	587954969	DGUDWFAQKYQUIC-VIFPVBQESA-N	232.331	3.080	0	1	BGAF	
Cc1ccc(-c2ccccc2[C@@H](N)N=O)cc1	957756700	JAOCSJNQOIIXCY-AWEZNQCLSA-N	226.279	3.386	0	1	BGAF	
CC(C)=CC[C@@]12CCN(C)[C@@H]1Nc1ccccc12	3813923	NCWZIOMMRIPMEA-HOTGVXAUSA-N	242.366	3.368	0	1	BGAF	biogenic
Oc1ccc2nn(-c3ccccc3)c(Cl)c2c1	13609470	NHFUOOLGVDVYLA-UHFFFAOYSA-N	244.681	3.385	0	1	BGAF	
CCNC12C[C@@H]3CC(C[C@@H](C3)C1)C2(C)C	95560191	TXYBZYXQJDJFQC-KCXRBIIJSA-N	207.361	3.201	0	1	BGAF	
NC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccc(Cl)cc1	169342611	JGDHOGCSEVVPRV-VTPLQMEGSA-N	235.758	3.428	0	1	BGAF	
CC(C)=CC=C1O[C@@H]2C=C(C)CC[C@@H]2[C@]1(C)O	2356725951	ORTJVSXUILUUMF-GUTXKFCHSA-N	234.339	3.343	0	1	BGAF	
C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@H]1CC[C@@H](C)[C@@H]21	2356775148	IICZMVCRWGAHJB-YVQWBZBQSA-N	236.355	3.256	0	1	BGAF	
CSc1nc(-c2ccccc2)nc(C(C)C)n1	36389221	ADZBSLTVZNNQJM-UHFFFAOYSA-N	245.351	3.384	0	3	BGAF	
C[C@@]12N[C@@H](Cc3ccc(F)cc31)c1ccccc12	27892655	AQCDEBMTYPJJSD-HOTGVXAUSA-N	239.293	3.290	0	1	BGAF	
Cc1ccc(C(=O)Oc2cncc(Cl)c2)cc1	40828165	JRQRPGDNYHQBOK-UHFFFAOYSA-N	247.681	3.263	0	1	BGAF	
N[C@@H]1c2ccccc2C23C[C@@H]4CC(C[C@H](C4)C2)[C@H]13	103148597	UDRRGNBPEKCWCW-JBVVMJLUSA-N	239.362	3.394	0	1	BGAF	
c1cc2c3c(c(C4CCOCC4)cnc3c1)CC2	587215645	KZXYQWVXVLWRRD-UHFFFAOYSA-N	239.318	3.227	0	1	BGAF	
CC[C@@H](C)c1nc2c(F)cnc(Cl)c2[nH]1	587954742	BWJUDMJMWRZNSV-RXMQYKEDSA-N	227.670	3.264	0	1	BGAF	
CC(C)[C@@]12C=C3[C@@H](CC[C@@]3(C)O)[C@@](C)(CC1)O2	15161003	WHSVRTGSYRNMKX-NGFQHRJXSA-N	236.355	3.051	0	1	BGAF	biogenic
CCC(=O)C(Cc1ccc(C)cc1)C(=O)CC	33494092	URCVTTMBKMEYFH-UHFFFAOYSA-N	232.323	3.112	0	1	BGAF	
Cc1ccc2nc(N3CCCC3)cc(C)c2c1	70463102	CFYLRVUXKNBKKN-UHFFFAOYSA-N	226.323	3.452	0	1	BGAF	
CC1(C)C(=O)CC[C@H]2C1=CC[C@@]1(C)[C@@H](O)CC[C@@H]21	169291281	MIZURHXEGUWOLO-YLUJIRGKSA-N	248.366	3.099	0	1	BGAF	
CN1CCC[C@@H]1c1cc2ccccc2o1	28465979	UFURGWJSEGJTTD-LLVKDONJSA-N	201.269	3.200	0	1	BGAF	
CCc1ccc(O)c(C(=O)c2cccs2)c1	28762157	LSUUHCDZUAYDCH-UHFFFAOYSA-N	232.304	3.247	0	1	BGAF	
CCCc1ccc(O)c(-c2cc(O)ccc2O)c1	95913419	PJMVILRJLVQTBV-UHFFFAOYSA-N	244.290	3.423	0	1	BGAF	biogenic,in-vitro
CC[C@@H](O)c1ncc(-c2c[nH]c3ccccc23)o1	203396515	IMZVEWFESRNTEX-GFCCVEGCSA-N	242.278	3.266	0	1	BGAF	
CCCC[C@@H](C)C=C(C)C=C(C)C(N)=O	2356541869	YVWNECBAHBJBSI-SNVBAGLBSA-N	209.333	3.191	0	1	BGAF	
COc1ccccc1/C=C/c1ccccn1	5141367	JUCDUPGBMCQNQD-MDZDMXLPSA-N	211.264	3.261	0	1	BGAF	
Cc1cc2c([C@H](C)CO)ccc(C)c2cc1O	13381368	YLPOBZYUCWVVCB-LLVKDONJSA-N	230.307	3.258	0	1	BGAF	biogenic,in-vitro
CCc1ccc(CCCCN(C)C)cc1	49036531	CLQOYHWDHWDLPD-UHFFFAOYSA-N	205.345	3.133	0	1	BGAF	
CC(C)[C@@]12CC[C@](C)(O1)[C@H]1C(=O)C[C@H](C)[C@H]1C2	104369955	CSLBUZGPLRECOR-LWOQNUMLSA-N	236.355	3.195	0	1	BGAF	in-man
CC1=C[C@H](O)CC(C)=C[C@H](O)[C@H](C(C)C)CC1	299807008	QNMWLBQJIVQIBA-KKUMJFAQSA-N	238.371	3.057	0	1	BGAF	
N[C@@H]1C[C@H]2C[C@@H]1c1c2cccc1C(F)(F)F	26294516	DWTIJUCLQLHTSN-KDILMLJESA-N	227.229	3.007	0	1	BGAF	
C[C@H]1C[C@@H]2CC=CC[C@@]2(N)c2ccccc21	29570167	YNGOOJPAPKPVGN-HUBLWGQQSA-N	213.324	3.314	0	1	BGAF	
CCCc1ccncc1-c1ccc(CN)s1	1857538068	OKDXZLVZPGFBHY-UHFFFAOYSA-N	232.352	3.221	0	1	BGAF	
CO[C@]1(C)Cc2ccc(CC(C)C)c(O)c21	1857644099	MNPJJEYUXUZAQF-CQSZACIVSA-N	220.312	3.008	0	1	BGAF	
CC[C@H](C)C=C(C)c1cc(=O)c(C)c(OC)o1	2356825056	HBJNYQZSMJZHKE-VIFPVBQESA-N	236.311	3.406	0	1	BGAF	
CC[C@H](C)NC(=O)c1cc2c(s1)CSC2	6736752	SXZFBYLOXXNCGO-ZETCQYMHSA-N	241.381	3.023	0	1	BGAF	
C[C@@H]1CC[C@@]2(C)C(=O)c3ccoc3C[C@]12C	86049056	CSUSIQBEPMPDCP-BIGNPOOSSA-N	218.296	3.461	0	1	BGAF	
C[n+]1ccc(Cc2cccc3ccccc23)cc1	96142447	OMWACBBSFLQMBF-UHFFFAOYSA-N	234.322	3.255	0	1	BGAF	
C[C@]12Cc3ccccc3[C@@H](N1)c1ccccc12	100649420	HSHVGVMMRBOBTL-HZPDHXFCSA-N	221.303	3.151	0	1	BGAF	
O=N/C=C1\C=CC=CN1CCc1ccccc1	141044569	BJFDKASOIXIWDM-WYMLVPIESA-N	226.279	3.222	0	1	BGAF	
CCCCCc1c(O)cc(CCCC)oc1=O	1772644368	NAJUBUFFWLNFSB-UHFFFAOYSA-N	238.327	3.421	0	1	BGAF	
CC=CCCC(=O)c1cc(C)c(O)c(C)c1O	2356668467	QQBOFNUXGPKLIK-UHFFFAOYSA-N	234.295	3.254	0	1	BGAF	
CC(C)=C[C@@H]1C[C@H](C)[C@@H]2C[C@@H](O)C(C)=C[C@@H]2O1	2356758887	OEZSPFGKGBIPMN-PMTDCRIQSA-N	236.355	3.073	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CC[C@]2(O)CCC[C@H](C)[C@@]12C	13385653	VMHVLIDJNCCRLE-NZBPQXDJSA-N	236.355	3.099	0	1	BGAF	biogenic
C[C@@H]1CCC=C2[C@@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C	14856025	ARZRZIVMAWEEFY-PYISLEMLSA-N	220.356	3.386	0	1	BGAF	
C[C@@]12N[C@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12	169289902	COGPALBKCNFTGA-SLBVQIDZSA-N	227.351	3.236	0	1	BGAF	
COc1ccc(CC(=O)O)cc1-c1cccs1	584905221	HCAVDRSGOUZCSD-UHFFFAOYSA-N	248.303	3.051	0	1	BGAF	in-vitro
C[C@H]1CCCCc2cc(O)ccc2OC(=O)CC1	206024214	UJVXOPNXJHOBSW-NSHDSACASA-N	248.322	3.440	0	3	BGAF	
CCN(CC)CCOC/C=C/c1ccccc1	3610041	UTZZQBFESNQSTK-DHZHZOJOSA-N	233.355	3.058	0	1	BGAF	
C[C@@H]1CCC2=C3C1=COC[C@]3(C)[C@@H](O)C2(C)C	15153420	FMUFYIFXWSUYSC-DVJZZOLTSA-N	234.339	3.034	0	1	BGAF	biogenic
C[C@H](C(=O)c1ccc(O)cc1)c1ccc(O)cc1	45291667	VSNHCJJEKIJDBF-JTQLQIEISA-N	242.274	3.084	0	1	BGAF	
CC(C)OC(=S)/C=C/c1ccccc1	73139081	XYZHHRLBQFOMNW-CMDGGOBGSA-N	206.310	3.452	0	1	BGAF	
c1cc2c(cc1N1CCCCC1)[C@@H]1C[C@@H]2CCN1	102838541	XJEXKGPXFPGEGG-LRDDRELGSA-N	242.366	3.199	0	1	BGAF	
CC1=C[C@]2(C)[C@H](O)C[C@H]3[C@H](C)CC[C@]32[C@@H]1C	231159492	KACKPLUHPMMFBK-UKHFBKCJSA-N	220.356	3.386	0	1	BGAF	
C[C@H]1CC[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]2(C)NC=O)C1(C)C	238757023	KDRPIAGOHIYGEH-NJPIGMNZSA-N	249.398	3.219	0	1	BGAF	
c1cc2c3c(cc([C@H]4CCCCN4)nc3c1)CC2	587213203	YSFIUWOJTQCOEY-CYBMUJFWSA-N	238.334	3.148	0	1	BGAF	
CCCC[C@H]1CC(=O)c2ccc(F)cc2N1	1857656039	QTIDNPOHJYPZBZ-JTQLQIEISA-N	221.275	3.383	0	1	BGAF	
CC(=CCC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)CO	2356481405	PDEQKAVEYSOLJX-BSMMKNRVSA-N	220.356	3.387	0	1	BGAF	
O=c1cccc(-c2ccc3ccccc3c2)o1	34131494	HVUILDPSUJHPOQ-UHFFFAOYSA-N	222.243	3.460	0	3	BGAF	
O=C1NC2(CCCCC2)[C@@H]2CCCCC[C@@H]12	1619812	YSQPZBDEMHFNCQ-VXGBXAGGSA-N	221.344	3.016	0	1	BGAF	
CCCN[C@H]1CCc2ccc3[nH]ccc3c2C1	13741729	HFQNQSPPIPXJLL-LBPRGKRZSA-N	228.339	3.025	0	1	BGAF	
CCN(c1ccncc1)n1ccc2ccccc21	13745934	RBKZPZVPVZNIMS-UHFFFAOYSA-N	237.306	3.326	0	1	BGAF	in-vivo
C[C@@H]1Cc2cc(Cl)ccc2-n2ccc(=O)cc21	27204374	GMJHHNMMSMCSKC-SECBINFHSA-N	245.709	3.151	0	1	BGAF	
CN[C@]12CC=CC[C@@H]1CSc1ccccc12	29569866	RWUGKZBKPGNVKR-BXUZGUMPSA-N	231.364	3.173	0	1	BGAF	
C[C@@]12CCCC[C@@H]1c1ccccc1C(=S)N2	2491993	CHHPICQFFAHDGN-TZMCWYRMSA-N	231.364	3.382	0	1	BGAF	
C[C@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	13826348	VLMZMRDOMOGGFA-PSOPSSQASA-N	240.350	3.148	0	1	BGAF	
O=P(O)(O)Cc1cccc(-c2ccccc2)c1	26976459	QJMJDDSGCDBFNM-UHFFFAOYSA-N	248.218	3.031	0	1	BGAF	
O=C(O)C[C@@]1(c2ccc(F)cc2)C[C@H]2CC[C@@H]1C2	73140867	LLNOJCXJWAPFDE-JVLSTEMRSA-N	248.297	3.358	0	1	BGAF	
COc1ccc(/C=C/c2cc(O)ccc2O)cc1	84706764	DFUFAPBKPHBZGB-GORDUTHDSA-N	242.274	3.277	0	1	BGAF	
C/C(=C/CC[C@@]1(C)C2C[C@H]3[C@@H](C2)[C@@]31C)CO	100189791	PDEQKAVEYSOLJX-FYHZTQFSSA-N	220.356	3.387	0	1	BGAF	in-vitro
C[C@@]1(O)CC=C2[C@@](C)(CCC[C@@]2(C)CO)CC1	103293430	MUNATWWFKAFAIN-SOUVJXGZSA-N	238.371	3.037	0	1	BGAF	
CCCCCCNc1cc(C)nc2ccnn12	169314435	OSXVQJKCTZIORL-UHFFFAOYSA-N	232.331	3.030	0	1	BGAF	
CC1=C[C@H]2[C@H](C(C)C)CC[C@@H](O)[C@@H]2CC1	238772228	CZOVHVBPUXRRQZ-RFQIPJPRSA-N	208.345	3.386	0	1	BGAF	
FC(F)(F)c1cc2nc(C3CCC3)[nH]c2cn1	586885120	XREAEJDBGKRDJW-UHFFFAOYSA-N	241.216	3.244	0	1	BGAF	
CC1=C[C@H](O)C[C@H](C)C=C[C@@H](C(C)(C)O)CC1	2356475738	OILIIWQLXDSNNC-MRVWCRGKSA-N	238.371	3.057	0	1	BGAF	
Cc1cccc2oc(=O)c3c(c12)O[C@H](C)C3(C)C	15257745	KMPYSZADDJCSEJ-SECBINFHSA-N	244.290	3.160	0	1	BGAF	biogenic
O=[S@@](CC1CCCCC1)c1ccccc1	40933839	VOGQEOQEURUBON-OAHLLOKOSA-N	222.353	3.375	0	1	BGAF	
O=C(Nc1ccc(F)nc1)Nc1cccc(F)c1	66104877	OACFNKVAGOALRH-UHFFFAOYSA-N	249.220	3.004	0	1	BGAF	
C[C@@]12N[C@H](Cc3ccccc31)[C@H]1CCCC[C@@H]12	100659811	COGPALBKCNFTGA-ARLBYUKCSA-N	227.351	3.236	0	1	BGAF	
C[C@@H]1CCc2nc3cccc4c3c(c2C1)CC4	587215480	OYKJUHZVISJMTG-SNVBAGLBSA-N	223.319	3.458	0	1	BGAF	
C/C(=C\c1nc2cncnc2[nH]1)C1CCCCC1	587968419	QBBDAJJCSOXQJB-JXMROGBWSA-N	242.326	3.337	0	1	BGAF	
CC1=CC[C@H]2[C@@H](OC(=O)C(C)C)[C@H]1C2(C)C	2356376216	OSMPHXXLRXFVBK-SDDRHHMPSA-N	222.328	3.176	0	1	BGAF	
Cc1ccc[n+]2cc(-c3ccccc3)sc12	169318504	QYAFXBRMKPHUGV-UHFFFAOYSA-N	226.324	3.462	0	1	BGAF	
O=C(O)c1ccc(F)c(F)c1Nc1ccccc1	213584979	LVWANKKKCGGFQY-UHFFFAOYSA-N	249.216	3.407	0	1	BGAF	
Cc1c(-c2ccnn2C)nc2cccc3c2c1CC3	587211756	VPSYTUDMVZTTHO-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
CC1=CCC[C@](C)(O)C=C[C@@H](C(C)(C)O)CC1	2356737027	LXGMYEYYXLQGAJ-ZFWWWQNUSA-N	238.371	3.201	0	1	BGAF	
CC1=C[C@H](O)[C@@H](C(C)C)C[C@H](O)C(C)=CCC1	2356754243	PKOQIYPPSKQSIQ-ILXRZTDVSA-N	238.371	3.057	0	1	BGAF	
CC(C)=C[C@]1(O)C[C@@H](C)C[C@H]1C(=O)c1ccoc1	13415124	DIKCWVMLDIFAOQ-WHOFXGATSA-N	248.322	3.206	0	1	BGAF	biogenic
Cc1cccc(-c2cnnn2-c2ccccc2)c1	81481412	FOLBPTIBYLFRBP-UHFFFAOYSA-N	235.290	3.243	0	1	BGAF	
COc1ccc(/C=C(\C)[C@@H](C)N=O)cc1	169722611	GAPKCGLARTZLOT-AAXQSMANSA-N	205.257	3.253	0	1	BGAF	
CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NC)c2c1	587640514	AUJRBMVOHXQYAS-SECBINFHSA-N	244.338	3.349	0	1	BGAF	
C[C@H]1CC(=O)c2c(noc2Cc2ccccc2)C1	1857758914	QXKCMOGJKPBOSI-SNVBAGLBSA-N	241.290	3.030	0	1	BGAF	
CC1=CC[C@H](O)[C@@H](C)C=C[C@H](C(C)(C)O)CC1	2356561151	RBBWQOZTCXYKSH-MJBXVCDLSA-N	238.371	3.057	0	1	BGAF	
C[C@@H]1CC[C@]2(C)CC[C@H]3C[C@@]2(OC3(C)C)[C@H]1O	2356769530	HHKGADPXFMXMQZ-CYHVGBIXSA-N	238.371	3.131	0	1	BGAF	
CCC(=O)NC[C@H]1Cc2cccc3cccc1c23	13834461	VBOUBBFDMXCSFH-CYBMUJFWSA-N	239.318	3.006	0	1	BGAF	
CC(C)=CCC[C@@]1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]2O	14859995	YXKYEDPZIRLAKN-BARDWOONSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
CCCN1CCC[C@H]2c3cc(O)ccc3CC[C@@H]21	26275268	LGRLJXCJYMYBLM-HOCLYGCPSA-N	245.366	3.296	0	1	BGAF	
CC1=CC[C@@H]2[C@@H]3[C@@H](C(C)C)[C@@H](O)C[C@@]2(C)[C@H]13	104371034	BVCNHEVITXGCEP-YXJLRHLOSA-N	220.356	3.242	0	1	BGAF	in-man
CC1(C)C(=O)CC[C@@H]2C1=CC[C@@]1(C)[C@H]2CC[C@H]1O	195379222	MIZURHXEGUWOLO-FTYZYXLQSA-N	248.366	3.099	0	1	BGAF	
Cc1ccc(-c2ccc([C@H](N)N=O)cc2)cc1	957756722	KNOOUNDAKWZJKC-CQSZACIVSA-N	226.279	3.386	0	1	BGAF	
CC1(C)CCCC2=C[C@H](O)[C@@](C)(O)CC[C@]21C	2356528956	NWAVEWPQEPBQBN-CFVMTHIKSA-N	238.371	3.035	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(CCO)cc2[nH]1	586892138	UHQRUHXSJQQCSR-NHYWBVRUSA-N	244.338	3.001	0	1	BGAF	
C[C@H]1CC=C2C3=C1C(=O)OC[C@@]3(C)CC2(C)C	13378838	PCEVLQFNPPWJEB-BJOHPYRUSA-N	232.323	3.242	0	1	BGAF	biogenic
CCCCC[C@H](C)COC(=O)c1ccncc1	14684154	SJGJCJLSSXJWOR-LBPRGKRZSA-N	235.327	3.455	0	1	BGAF	biogenic
Oc1ccc(CCCCn2cc[nH]c2=S)cc1	26503386	MHGCNYZQMMAZMH-UHFFFAOYSA-N	248.351	3.274	0	1	BGAF	
O=c1c2c([nH]c3cccc(Cl)c13)CCCC2	72108439	HYQPUGKXBKLISQ-UHFFFAOYSA-N	233.698	3.060	0	1	BGAF	
COc1cccc(/C=C/c2cc(O)ccc2O)c1	84653894	OZHZSWOXXJZTCJ-AATRIKPKSA-N	242.274	3.277	0	1	BGAF	
CN1CC[C@@]23CCCC[C@@H]2[C@H]1Cc1ccccc13	164363561	IHBSVVZENGBQDY-BRWVUGGUSA-N	241.378	3.375	0	1	BGAF	
C[C@@H]1c2c(nc3cccc4c3c2CC4)C(=O)[C@@H]1C	587213106	GLORRRRYONCUSD-DTWKUNHWSA-N	237.302	3.269	0	1	BGAF	
CCCC/C=C\c1nc2cnc(Cl)[nH]c-2n1	587966884	YZDWGMBIRVPQND-WAYWQWQTSA-N	236.706	3.161	0	1	BGAF	
Cc1c(O)c(CCCCC(C)C)coc1=O	1857767345	MUVDFWBLIGODFK-UHFFFAOYSA-N	224.300	3.023	0	1	BGAF	
C[C@@H]1[C@H]2O[C@@H]3CC[C@@]4(C=CC[C@@H](C)[C@@]4(C)[C@@H]13)O2	2356555032	GTARSQGFXOXFHP-ALXNTHISSA-N	234.339	3.129	0	1	BGAF	
CC1=CN(Cc2cccc(Cl)c2)[C](N)C=C1	2356871709	OLVPPSYXGJMQME-UHFFFAOYSA-N	233.722	3.064	0	1	BGAF	
CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C	6066853	ZBJPVPFEDGYYBD-GBJTYRQASA-N	240.387	3.281	0	1	BGAF	biogenic,in-vitro
c1ccc2c(c1)CN[C@@]21CCCc2sccc21	27654073	JGCIITAQPRMNCV-HNNXBMFYSA-N	241.359	3.431	0	1	BGAF	
O=C(Nc1ccccc1)c1cc(F)ccc1S	66156699	YOGWMQWWFJRYEW-UHFFFAOYSA-N	247.294	3.367	0	1	BGAF	
COc1ccc(-c2ncnc3sccc23)cc1	96909557	KFKGSUYGFOINKC-UHFFFAOYSA-N	242.303	3.367	0	1	BGAF	
CNC12C[C@@H]3C[C@@H](C1)CC(C(C)C)(C3)C2	102142685	WDAVNYNXUBKMOS-IWMBGFJWSA-N	207.361	3.201	0	1	BGAF	
CCCCC[C@@H]1NC(=O)/C(=C/c2ccccc2)O1	473156033	SGLUFDZOPWYNKZ-YBEMTRGBSA-N	245.322	3.080	0	1	BGAF	
COC(C)(C)C=Cc1cc(O)ccc1C(C)=O	2356599673	ILXKGBYUTVRBRK-UHFFFAOYSA-N	234.295	3.033	0	1	BGAF	
CC(C)=C[C@@H]1C[C@H](C)[C@@H]2C[C@H](O)C(C)=C[C@@H]2O1	2356758886	OEZSPFGKGBIPMN-KLLKFSIISA-N	236.355	3.073	0	1	BGAF	
CCCN(CCC)C1Cc2ccccc2C1	5832840	LEACNHXRZNVYRP-UHFFFAOYSA-N	217.356	3.276	0	1	BGAF	
CN1[C@H]2CC[C@@H]1CC(CC(=O)c1ccccc1)C2	26850675	DHZKTPOSTCZRBL-LQDVMPOASA-N	243.350	3.132	0	1	BGAF	
O=C(/C=C/c1ccccc1)N[C@@H]1C[C@@H]2CC[C@@H]1C2	100433408	PHECXNWAUDAWII-DKZXYHOFSA-N	241.334	3.005	0	1	BGAF	
CC(=CCC[C@H](C)c1ccc(C=O)cc1)CO	2356439200	IFGXWDSCDATMFF-ZDUSSCGKSA-N	232.323	3.321	0	1	BGAF	
CC(C)[C@H]1[C@H]2C[C@@]3(C)CC[C@H]2[C@@](C)(C3)[C@H]1NC=O	2356758898	OSVZIYFFGGLQGX-VNAATALASA-N	249.398	3.219	0	1	BGAF	
Cc1[nH]c(-c2ccccc2)nc1-c1cccnc1	13440083	CAQAIFUDUGDPFB-UHFFFAOYSA-N	235.290	3.447	0	1	BGAF	
CN1Cc2ccccc2[C@]12CCc1ccccc12	27637136	IUQGSPLBQZMWMI-QGZVFWFLSA-N	235.330	3.322	0	1	BGAF	
CC1=NN2[C@H](C1)c1ccccc1CC2(C)C	40392429	VUZXSBAKSGCRPE-CYBMUJFWSA-N	214.312	3.144	0	1	BGAF	
CSC(=O)NC12C[C@@H]3C[C@H](CC(C)(C3)C1)C2	100839945	BENFVQWFMSYJSQ-ITSCGTHASA-N	239.384	3.418	0	1	BGAF	
C[C@H]1CCc2nc3cccc4c3c(c2C1)CC4	587215479	OYKJUHZVISJMTG-JTQLQIEISA-N	223.319	3.458	0	1	BGAF	
O=C1Cc2ccccc2CCc2ccsc21	1635001	MYHIITZSHOPFLN-UHFFFAOYSA-N	228.316	3.272	0	1	BGAF	
Oc1ccc(-n2nc3ccccc3c2Cl)cc1	13609466	RHTYLNDFEDGXEM-UHFFFAOYSA-N	244.681	3.385	0	1	BGAF	
NC[C@@H]1[C@@H](c2cccc(Cl)c2)[C@H]2CC[C@@H]1C2	13795177	IRNIZNAXVXVLJU-OJDJGZDQSA-N	235.758	3.428	0	1	BGAF	
CCCN1CCC[C@H]2c3cccc(O)c3CC[C@H]21	26286988	ANYSYRVXKLTFPB-DZGCQCFKSA-N	245.366	3.296	0	1	BGAF	
Clc1ccc([C@@H]2C[C@@H]3CCCC[C@@H]2N3)cn1	100057774	PSZQXCJRVPDKIE-SRVKXCTJSA-N	236.746	3.123	0	1	BGAF	
O[C@H](Cc1ccccc1)c1cc2ccccc2[nH]1	103289171	OJTMKGCGYAVLOD-MRXNPFEDSA-N	237.302	3.444	0	1	BGAF	
Oc1cnccc1-c1cc2c3c(cccc3n1)CC2	587211945	JLJMDWDJNHWSMC-UHFFFAOYSA-N	248.285	3.101	0	1	BGAF	
c1c([C@H]2COC3(CCCCC3)O2)n[nH]c1C1CC1	1857605809	WIZHPXWAHRVOOI-CYBMUJFWSA-N	248.326	3.035	0	1	BGAF	
CC(=O)CCCC(C)=CCCC(C)=CCO	2356593064	VZDNKMDQWSQDRS-UHFFFAOYSA-N	224.344	3.411	0	1	BGAF	
CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@H]1O	100067592	KSMZUKWIDPCGBS-ZZVJUGKHSA-N	238.371	3.131	0	3	BGAF	in-vitro
Cc1cccc2c1nc1n2C(=O)c2ccccc2-1	1637050	PFCBNVVMGMVTMP-UHFFFAOYSA-N	234.258	3.014	0	1	BGAF	
S=C1CSc2c(cnc3ccccc23)N1	13002336	YMEHBYXWBRQUML-UHFFFAOYSA-N	232.333	3.080	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](CO)CC[C@H]2C(C)C	13381483	DXCLZSITICUANS-RYUDHWBXSA-N	234.339	3.310	0	1	BGAF	biogenic
CN1C[C@@H]2C=C(c3ccc(Cl)nc3)C[C@@H](C2)C1	169294405	XOEJXZGEXAMGIL-WDEREUQCSA-N	248.757	3.090	0	1	BGAF	
CC1(C)CCC(Cc2nc3cncnc3[nH]2)CC1	587961710	WBMQSEXKQMTIHV-UHFFFAOYSA-N	244.342	3.112	0	1	BGAF	
CCC=CC[C@@H](CC)[C@H]1C=CN(C)C=C1C(=O)O	2356783682	LWXSDJOSDFNHLY-CHWSQXEVSA-N	249.354	3.413	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2ccc(CO)cc2[nH]1	587967027	KHANAXCOHCUYCQ-ZYHUDNBSSA-N	242.322	3.125	0	1	BGAF	
CC1(C)C=CC2=C(C1)Nc1ccccc1[C]2N	2356814428	NXUPAIKIOPNIOD-UHFFFAOYSA-N	225.315	3.191	0	1	BGAF	
C=C(C)C=Cc1cc(C(C)=O)ccc1O	13306756	SCUHPQYPFVPSQV-UHFFFAOYSA-N	202.253	3.184	0	1	BGAF	biogenic
CCCCOc1ccc(-n2cncc2C)cc1	13530161	YQZHYXJLJOBTSY-UHFFFAOYSA-N	230.311	3.360	0	1	BGAF	
CCCCCSCC(=O)C(F)(F)F	13859380	UPTSPWNCBWANBS-UHFFFAOYSA-N	214.252	3.041	0	1	BGAF	
c1cc(Cc2c[nH]cn2)cc(-c2ccncc2)c1	14979045	IIPGNQAIZQFUPT-UHFFFAOYSA-N	235.290	3.063	0	1	BGAF	
COc1cc(/C=C/c2cccc(C)c2)oc(=O)c1	33847663	DNXSENXCKYSNPR-VOTSOKGWSA-N	242.274	3.127	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1CC=C(C)[C@@H](O)[C@@H]1O	33951449	SDAWXTDBEYZMMX-ZGKBOVNRSA-N	238.371	3.057	0	1	BGAF	
CC1(C)CCC[C@@]2(C)[C@H]1CC=C1CO[C@H](O)[C@@H]12	144577120	FCSNZJLUQLZSBW-XFMPKHEZSA-N	236.355	3.114	0	1	BGAF	
CC1=C2C/C=C(\C)CC/C=C(\C)CO[C@H]2OC1=O	238754043	CJMJPQQIHVKOOH-LERZXUCWSA-N	248.322	3.279	0	1	BGAF	
Cc1cc(C)n(-c2c(C)[nH]c3cccc(F)c23)n1	587635365	FWCSLTIEEUMYGO-UHFFFAOYSA-N	243.285	3.418	0	1	BGAF	
CCCCC=COC(=O)c1ccc(O)cc1	2356824411	GURBWPBVFXVXMS-UHFFFAOYSA-N	220.268	3.253	0	1	BGAF	
CC1=C[C@]23OC(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC1	14918791	SXDUGGRDNCRRHY-DGMCESFYSA-N	234.339	3.321	0	1	BGAF	biogenic,in-vitro
N[C@H]1[C@H]2CC[C@@H]1Cc1cccc(C(F)(F)F)c12	26286565	FNNWVHKNBUNHFU-VDDIYKPWSA-N	241.256	3.082	0	1	BGAF	
CCC[C@H]1CCCN[C@H](c2cccnc2)C1	28460074	WETURKIDZIDHTP-JSGCOSHPSA-N	218.344	3.313	0	1	BGAF	
C[C@H]1C[C@@]2(C=C(c3ccoc3)C[C@@H](C)C2)OC1=O	39122053	YDUFVPKWFQXSAZ-ZETOZRRWSA-N	246.306	3.415	0	1	BGAF	
C[C@H](NC1CCC1)C(=O)c1cccc(Cl)c1	45245576	HKOVZQZDXNHYOJ-VIFPVBQESA-N	237.730	3.053	0	1	BGAF	in-vitro
CCSCCOc1cc(-c2ccccc2)no1	71776815	ZHJXTTPCJABIBH-UHFFFAOYSA-N	249.335	3.474	0	1	BGAF	
CC(C)(C)c1ccc(OC/C(F)=C\CN)cc1	84652668	FCYOQNRECMAIAJ-XYOKQWHBSA-N	237.318	3.175	0	1	BGAF	
CN1[C@H]2C=C(c3c[nH]c4ccccc34)C[C@H]1CC2	101060082	ZOMRBJBMKLVVRD-CHWSQXEVSA-N	238.334	3.418	0	1	BGAF	
N[C@@H]1[C@@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc12	169368277	QFRCSJBYSNCGPY-FXPVBKGRSA-N	227.229	3.007	0	1	BGAF	
c1cc2c3c(cc(C4CCOCC4)nc3c1)CC2	587215170	CIPUVTIGRAMRSI-UHFFFAOYSA-N	239.318	3.227	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CC(C)C)O2	587403205	KWXOPUWEVOBDNC-HNNXBMFYSA-N	247.338	3.347	0	1	BGAF	
CCn1cc(-c2[nH]c3cccc(F)c3c2C)cn1	587635751	MRJOISGIINSTGJ-UHFFFAOYSA-N	243.285	3.499	0	1	BGAF	
Clc1cncc2nc(C=C3CCC3)[nH]c12	587965361	RJWZZZAWAZRJKE-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
c1nc(CCCOCCC2CCCCC2)c[nH]1	13560973	MHWSYYMOQIBHGA-UHFFFAOYSA-N	236.359	3.329	0	1	BGAF	
Cc1ccc(O)c2[nH]c(Cc3cccs3)nc12	26289267	VSVOQDZQDGHDBI-UHFFFAOYSA-N	244.319	3.229	0	1	BGAF	
O=C1C[C@H](NC2CCCCC2)c2ccccc21	64479849	JZZUZPRNBHHNMQ-AWEZNQCLSA-N	229.323	3.236	0	1	BGAF	
C[C@@H]1CC[C@H](O)[C@]23C[C@@H]4[C@@H](C[C@@]12C)[C@@]4(C)C3	102945428	VMCKVEZJNIGBQQ-AJSSQEGLSA-N	220.356	3.220	0	1	BGAF	
CC(C)=CCC[C@@]1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O	104374495	YXKYEDPZIRLAKN-KBUPBQIOSA-N	238.371	3.441	0	1	BGAF	in-man
Cc1nc2cccc3c2c(c1[C@@H]1CCOC1)CC3	587215369	GUEWOOBWEHUBAP-GFCCVEGCSA-N	239.318	3.146	0	1	BGAF	
CC[C@@H](C)C=Cc1oc(=O)cc(OC)c1C	2356537232	KTXOHEGYWWVREA-SECBINFHSA-N	222.284	3.016	0	1	BGAF	
C[C@@H]1CC[C@H](NC=O)[C@]2(C)CC[C@@H]3[C@@H]([C@@H]12)C3(C)C	2356801394	QOLAWXMBCTVDSR-ULSDXFBPSA-N	249.398	3.219	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CC[C@]2(O)CCC[C@@H](C)[C@@]12C	13385652	VMHVLIDJNCCRLE-PAPYEOQZSA-N	236.355	3.099	0	1	BGAF	biogenic
O=C(O)c1ccc(-c2ccccc2CF)o1	28529857	BROXHXHLPMAVTJ-UHFFFAOYSA-N	220.199	3.114	0	1	BGAF	
c1ccc2c3c([nH]c2c1)-c1cc2c(cc1C3)OCO2	45388428	YUOJWSJWXUSNJG-UHFFFAOYSA-N	249.269	3.468	0	1	BGAF	
C[C@@]12N[C@@H](Cc3ccccc31)[C@H]1CCCC[C@H]12	58482384	COGPALBKCNFTGA-DRPJVOAASA-N	227.351	3.236	0	1	BGAF	
CCCCn1c(-c2ccc(F)cc2)cnc1N	66112064	ZBCXRPSGNOSIHV-UHFFFAOYSA-N	233.290	3.072	0	1	BGAF	
CC1=C[C@H](O)[C@H](C(C)C)C[C@@H](O)C(C)=CCC1	2356754246	PKOQIYPPSKQSIQ-ZNMIVQPWSA-N	238.371	3.057	0	1	BGAF	
CC(C)C(=O)[C@@H]1CC[C@]2(O)CCC[C@@H](C)[C@@]12C	13385660	HUQLDUXYHVFPRA-PAPYEOQZSA-N	238.371	3.179	0	1	BGAF	biogenic
C/C=C/CCCCC1=C(C)C(=O)N2CCC[C@@H]2O1	15272785	QFSVKKKDSOYBCD-XGACYXMMSA-N	249.354	3.376	0	1	BGAF	
Cc1ccc(N2N=NC[C@H]2c2ccncc2)cc1	26149637	KWBCHVSAPCMXAY-AWEZNQCLSA-N	238.294	3.319	0	1	BGAF	
CN(C)[C@H]1CCc2[nH]c3c(Cl)cccc3c2C1	39214018	NHOAEOLTRGORRX-VIFPVBQESA-N	248.757	3.240	0	1	BGAF	
O=C1CCCCCCCCCCCNCCO1	90659242	QBAHAZPZXJXBOU-UHFFFAOYSA-N	241.375	3.034	0	1	BGAF	
Oc1cc2cc(Br)c(Cl)cc2[nH]1	218090546	DFVBKLHZIAALAY-UHFFFAOYSA-N	246.491	3.289	0	1	BGAF	
C/C(=C\C=C\C(C)(C)O)[C@H]1CC[C@@H](C)C[C@H]1O	299831155	XYTFMUAQHXLEAY-MIBGNMIDSA-N	238.371	3.057	0	1	BGAF	
F[C@H]1CCc2nc3cccc4c3c(c2C1)CC4	587214133	WQACPSZOECHCMT-JTQLQIEISA-N	227.282	3.160	0	1	BGAF	
Cc1ccc2c(ccc3nc(CC4CC4)[nH]c32)n1	587964191	ZSJGPTXVMNGACD-UHFFFAOYSA-N	237.306	3.372	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)C=COC=C[C@@H]2C1	2356754938	WARXHLUDWXLGBE-BZPMIXESSA-N	222.328	3.238	0	1	BGAF	
CN1CCCC[C@@H]1CCC(=O)c1ccc(F)cc1	13554224	UKLGAMQZOAFLKB-CQSZACIVSA-N	249.329	3.273	0	1	BGAF	
C[C@]1(O)CC[C@H]2[C@@H]3CCCC=C3C=C[C@@]21C	27708592	ILJJWXMZGGKVML-QPSCCSFWSA-N	218.340	3.450	0	1	BGAF	
CC(=O)c1ccc(/C=C/[C@@H]2CCCCN2)cc1	103258992	CLGDEYFJDOYUDZ-VSGCLNPGSA-N	229.323	3.045	0	1	BGAF	
CC(C)[C@H]1C[C@]2(C)[C@H]3CC[C@](C)(C[C@H]31)[C@H]2NC=O	238788701	ZMNALZIXBKIMDE-HIFUNWJGSA-N	249.398	3.219	0	1	BGAF	
CCN1C(=O)c2ccccc2Oc2ccccc21	6385234	MRBRHCRUXKHKKI-UHFFFAOYSA-N	239.274	3.459	0	1	BGAF	in-vivo
Cc1ccc([C@]2(C)C[C@H](O)CC2(C)C)cc1	13412396	SRSPZMSNYAVIMD-HIFRSBDPSA-N	218.340	3.434	0	1	BGAF	biogenic,in-vitro
O=c1cc(/C=C/c2ccncc2)oc2ccccc12	39273687	HJGVWLCARJFWJR-AATRIKPKSA-N	249.269	3.358	0	1	BGAF	
Cc1ccc(NC2=NC[C@@H](C)C2)c2c1CCC2	143238560	PHXOKCNYNWMEBG-JTQLQIEISA-N	228.339	3.334	0	1	BGAF	
C[C@H]1C(=O)O[C@@H]2[C@H]1CC[C@]1(C)C[C@@H]3C[C@]3(C)[C@@H]21	238757393	DXIBNMIMMBDQQP-CGBWJDLASA-N	234.339	3.010	0	1	BGAF	
CN(C)C[C@@H]1[C@@H](c2ccccc2)[C@H]2CC[C@@H]1C2	13795195	KHJQHGAUNZLOFM-UGUYLWEFSA-N	229.367	3.378	0	1	BGAF	
Oc1ccc(-c2cc3ccc(O)cc3[nH]2)cc1	29223077	KMFDEISKPXIGKK-UHFFFAOYSA-N	225.247	3.246	0	1	BGAF	
CC1=CC[C@H]([C@@H](C)CCN2CCOCC2)CC1	34586837	AUHZNHJBKOZUMT-GJZGRUSLSA-N	237.387	3.091	0	1	BGAF	
C[C@]12CC[C@@H](c3ccc(O)cc3)C[C@H]1CC[C@H]2O	84669592	CEOUGJNTPKXUFS-XOUADPBQSA-N	246.350	3.437	0	1	BGAF	
c1ccc(N2[C@@H]3[C@@H]4C[C@H]([C@@H]5CCC[C@H]54)[C@H]32)cc1	169354459	YFWARTKNDZZMCY-VUVWGQCBSA-N	225.335	3.310	0	1	BGAF	
Fc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccoc3)N2O1	299832806	WAVNIINCFHXLLT-OCCSQVGLSA-N	245.253	3.226	0	1	BGAF	
CC/C=C/C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587406799	VLICMLQIJIOPBT-SGUJLRQBSA-N	245.322	3.267	0	1	BGAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@]13CC[C@]21CC[C@H]3O	2356351690	DFBIFSIVSFAGEV-PGKPSXLWSA-N	220.356	3.364	0	1	BGAF	
CC(=O)SC(C)(C)[C@@H]1CC[C@@H](C)C(=O)C1	2356479001	ABUPPVNDFMOSIZ-PSASIEDQSA-N	228.357	3.050	0	1	BGAF	
Clc1ccc(CN2[CH]C=CC=C2)cc1	2356840918	JCCKOSBPQMRXCF-UHFFFAOYSA-N	204.680	3.387	0	1	BGAF	
Cc1nccc2c1C[C@@H](CC[C@H](C)O)C2(C)C	14688567	IMDXDPUTIISQIM-CMPLNLGQSA-N	233.355	3.001	0	1	BGAF	endogenous,in-man
Cc1coc2c1C[C@H]1[C@](C)(O)CCC[C@]1(C)C2	14708319	SUKDEKGXCURCRC-RBSFLKMASA-N	234.339	3.244	0	1	BGAF	
CC1(C)O[C@@]2(C3CCCCC3)CC[C@@H]1[C@H](O)C2	85543401	WCMQFUQUXLTMPK-NFAWXSAZSA-N	238.371	3.275	0	1	BGAF	biogenic,in-vitro
C[C@@]12N[C@@H](Cc3ccccc31)[C@@H]1CCCC[C@H]12	148520201	COGPALBKCNFTGA-DMRZNYOFSA-N	227.351	3.236	0	1	BGAF	
CCCC/C=C\c1nc2cncc(C)c2[nH]1	587964875	DNFRJGIWMNHXFU-SREVYHEPSA-N	215.300	3.470	0	1	BGAF	
C[C@@H]1CC[C@@H]2c3ccc(O)cc3CC[C@H]2C1=O	2356543351	MAADCTVGGLZKQS-OWYVNGRQSA-N	230.307	3.037	0	1	BGAF	
C[C@H](Cc1ccc(O)cc1)c1ccc(O)cc1	1850383	JISNDAMZBNGEAC-LLVKDONJSA-N	228.291	3.444	0	1	BGAF	
O=[S@@]1c2ccccc2Cc2cc(Cl)ccc21	13606087	QJHCMZMFOBVKLH-INIZCTEOSA-N	248.734	3.411	0	1	BGAF	
Cc1coc2c1C[C@@H]1[C@@](C)(CCC[C@@]1(C)O)C2	14708322	SUKDEKGXCURCRC-QLFBSQMISA-N	234.339	3.244	0	1	BGAF	biogenic,in-vitro
CCOc1ccccc1Oc1cccnc1	27099525	IVLVRJMXOVLDRK-UHFFFAOYSA-N	215.252	3.273	0	1	BGAF	
CCN(CC)C(=O)c1ccc(O)c(C(C)(C)C)c1	64503681	FCKIUIHSHBFKFC-UHFFFAOYSA-N	249.354	3.172	0	1	BGAF	
CCN1[C@H]2CCC[C@@](c3cccc(O)c3)(C2)[C@@H]1C	299847171	UOCWQDPHOVKPKR-DUVNUKRYSA-N	245.366	3.297	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2c(C)ccnc2[nH]1	586888282	IKDLMQPLZIYSFM-TVQRCGJNSA-N	215.300	3.170	0	1	BGAF	
C[C@@H](Cc1ccc(O)cc1)c1ccc(O)cc1	1850382	JISNDAMZBNGEAC-NSHDSACASA-N	228.291	3.444	0	1	BGAF	
CC1=COC=C[C@@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	14710490	DMFSWNMSKDPBCG-YDHLFZDLSA-N	246.306	3.092	0	1	BGAF	
C[C@@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1	34316477	RAGBGCLEOLTWAD-ABAIWWIYSA-N	240.350	3.497	0	1	BGAF	
C[C@]12CC[C@@H](c3ccc(O)cc3)C[C@H]1CC[C@@H]2O	66111809	CEOUGJNTPKXUFS-VDERGJSUSA-N	246.350	3.437	0	1	BGAF	in-vitro
COc1cc(Cl)c(Cl)cc1[C@@H]1C[C@@H]1CN	653707723	IZWSHCTXJOWBOY-RNFRBKRXSA-N	246.137	3.064	0	1	BGAF	
CCc1ccc2c(=O)c(C)c(C)oc2c1C	2356328472	VSRNNNRDQPCMCV-UHFFFAOYSA-N	216.280	3.281	0	1	BGAF	
CC1(C)CCC(=CCc2ccc(O)cc2O)CO1	2356604705	DPEGXDIIQWTEMC-UHFFFAOYSA-N	248.322	3.156	0	1	BGAF	
COc1cccc2oc(-c3ccco3)cc(=O)c12	8680112	QUYKZBOAPTWJQD-UHFFFAOYSA-N	242.230	3.062	0	3	BGAF	
C[C@@]12CC[C@@H](O)C[C@H]1CCc1ccccc12	13783775	MVNJNWNFUCRWBW-UMVBOHGHSA-N	216.324	3.052	0	1	BGAF	
CC(C)=CC[C@H]1CC(=O)c2ccccc2[C@@H]1O	14558233	LBJSSKOQMCUURJ-XHDPSFHLSA-N	230.307	3.279	0	1	BGAF	biogenic
CCCN1CC[C@@]2(c3ccc(O)cc3)CC[C@@H]1C2	27852068	NEHTUDBJCBLDNI-ZBFHGGJFSA-N	245.366	3.298	0	1	BGAF	
CC(C)Nc1cc(-c2ccccc2F)ncn1	82162321	GXMSYBDRWJTBAE-UHFFFAOYSA-N	231.274	3.103	0	1	BGAF	
Fc1cnc2[nH]c(-c3ccoc3C3CC3)nc2c1	586902047	UBDFPWXOIQCXNG-UHFFFAOYSA-N	243.241	3.234	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@H](CCC)CC2=O	587485942	WGWYREHRKIOVOY-SNVBAGLBSA-N	248.322	3.479	0	1	BGAF	
c1ccn(Nc2ccc(Nn3cccc3)cc2)c1	6584577	PIWPJSDQCKMNLG-UHFFFAOYSA-N	238.294	3.040	0	1	BGAF	
C/C1=C\CC(C)(C)/C=C/C(=O)[C@H](C)[C@H](O)CC1	14454912	OIBRGSMIBZDMCG-QRDKOGIESA-N	236.355	3.265	0	1	BGAF	
CC(=O)CCC/C(C)=C/CC/C(C)=C\CO	14493326	VZDNKMDQWSQDRS-VQIJFOBESA-N	224.344	3.411	0	1	BGAF	
c1cc2c3c(c1)c1c(n3CCNC2)CCCCC1	26577208	CJMKQMOGWDZRAX-UHFFFAOYSA-N	240.350	3.013	0	1	BGAF	
CN1C(=S)CC[C@@H]2c3ccccc3CC[C@H]21	29550675	QZQJSJIGLVVTKN-CHWSQXEVSA-N	231.364	3.138	0	1	BGAF	
CCC[C@H](CCn1cncn1)c1ccc(F)cc1	103214252	GEISEJBCEGCTFL-GFCCVEGCSA-N	247.317	3.391	0	1	BGAF	
C[C@H](CC[C@H]1C(C)(C)CCC[C@]1(C)O)C(=O)O	139783204	PHRPMBLSUPFUQJ-SUNKGSAMSA-N	242.359	3.065	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(O)cc2[nH]1	586887330	FZZZIKUEQJUBKT-ZANVPECISA-N	216.284	3.172	0	1	BGAF	
CC(=O)Nc1c(C)[nH]c2ccc(F)c(Cl)c12	587631834	WRAXFJDHSJFUBC-UHFFFAOYSA-N	240.665	3.227	0	1	BGAF	
NCc1cc2cc(-c3ccc(F)cc3)ccc2[nH]1	1857603900	JMQXFGLDHYLEPU-UHFFFAOYSA-N	240.281	3.433	0	1	BGAF	
CC(C)=C[C@@H](O)CC(C)=CCCC(C)=CCO	2356285502	RAFAKSIGGWRDFJ-OAHLLOKOSA-N	238.371	3.369	0	1	BGAF	
CC1=C[C@H](O)C[C@@H](C)C=C[C@@H](C(C)(C)O)CC1	2356475736	OILIIWQLXDSNNC-IACUBPJLSA-N	238.371	3.057	0	1	BGAF	
CC1=CC[C@H](C(C)(C)O)C=C[C@@](C)(O)CCC1	2356627227	AOROBANGFVRWRJ-ZFWWWQNUSA-N	238.371	3.201	0	1	BGAF	
CC1=CC=C2C(C)(C)CC[C@@H]3OC(=O)[C@H]1[C@]23C	5757632	ARUBZJPDTYWSMD-SLEUVZQESA-N	232.323	3.241	0	1	BGAF	
CCc1nc(CC)c([C@@H](C)c2c[nH]cn2)s1	13802757	AJFNQDLYCHIWHD-QMMMGPOBSA-N	235.356	3.143	0	1	BGAF	
COc1ccc(CCc2cccc(O)c2)cc1	14504066	DUFFAXWNJBEWFP-UHFFFAOYSA-N	228.291	3.186	0	1	BGAF	biogenic,in-vitro
CC(=O)c1ccc(C)c2ccc(C=O)c-2c1	14615289	XZGFKKISTVBSOU-UHFFFAOYSA-N	212.248	3.115	0	1	BGAF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1CCC1=CCC[C@H](C)[C@@]12C	15201117	MCWIBQXSOJFMTL-FWHFQCOYSA-N	232.323	3.241	0	1	BGAF	biogenic
CC[C@@H](C)CN(C(=O)C(C)C)c1nc(C)co1	39246408	LAXDZLSWPAFVGM-SNVBAGLBSA-N	238.331	3.018	0	1	BGAF	
C/C=C(/C)C1=C2C(OC)=C(C)O[C@@H]2OC(C)=C1	238787145	WAAKKKASQPRMCH-QPBFKRLHSA-N	234.295	3.417	0	1	BGAF	
CC1(C)[C@H]2[C@@H]3C=C[C@@H]4CCC[C@@]42[C@@H](O)[C@@]1(C)C3	2356569519	YRCJFEFEIFAJFE-PFOYJRTASA-N	232.367	3.386	0	1	BGAF	
CC(C)=CC[C@@H]1CC(=O)c2ccccc2[C@@H]1O	14558230	LBJSSKOQMCUURJ-IAQYHMDHSA-N	230.307	3.279	0	1	BGAF	biogenic
CCc1ccc(C(=O)c2ccc(F)cc2)c(O)c1	28760847	UUIMUQJSMVMYFR-UHFFFAOYSA-N	244.265	3.325	0	1	BGAF	
CC[C@H](C)C1S[C@@H](C)N[C@@H](C)S1	95620597	BLDFHTPIEUHZJY-VTBDLZGYSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CC1(C)CCCC2=C[C@H](O)[C@](C)(O)CC[C@]21C	238776766	NWAVEWPQEPBQBN-NWANDNLSSA-N	238.371	3.035	0	1	BGAF	
CC(C)[C@@H]1C=C[C@H](C)[C@]23CC[C@](C)(O)[C@@H]2[C@H]13	2356331612	LMCRYOCEDDKMQA-LZXPERKUSA-N	220.356	3.242	0	1	BGAF	
CC1=CC[C@H]2C(C)=CC[C@@H]3[C@H](C)C(=O)O[C@@H]3[C@H]12	2356477610	BEVNHPMFXGZXHL-QNSTZXKLSA-N	232.323	3.097	0	1	BGAF	
CC1=C[C]2CCCN2C=C1c1ccc(O)cc1	2356875829	VPQKOBLAOXCXRX-UHFFFAOYSA-N	226.299	3.321	0	1	BGAF	
CN1[C@H]2CC[C@H]1CC[C@H]2Cc1ccccc1	101033045	QVIWWIYJPCZLQR-ZNMIVQPWSA-N	215.340	3.102	0	1	BGAF	
CCC/C=C\CC/C=C/C(=O)NCC(C)C	238779450	DZSIDRFTDRDPCT-JFEAUALZSA-N	223.360	3.451	0	1	BGAF	
CC[C@H](C)c1nc2cc(OC)c(F)cc2[nH]1	587955599	JOVYKTDNIFVLQE-ZETCQYMHSA-N	222.263	3.224	0	1	BGAF	
C[C@H]1CC(=CC(C)(C)O)[C@@H](C(=O)c2ccoc2)C1	2356467383	OIRMTEOVICFHJP-GWCFXTLKSA-N	248.322	3.206	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(CO)=CC[C@@H]3[C@H]([C@H]21)C3(C)C	2356838981	MFBXCTANYKWTRT-JTDRMQGGSA-N	220.356	3.243	0	1	BGAF	
C[C]1C=CN(Cc2ccc(F)cc2)C=C1	2356868837	UQDHIKCCZFTIIX-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@@H]1O	13377238	FPSDOHYYKFXKFR-ATGSNQNLSA-N	238.371	3.057	0	1	BGAF	in-man
CC1=CC[C@@H]2C(=C1)C(C)=C[C@H](O)[C@@H]2C(C)C	14407088	NWUMKWIRTFTXBF-VHDGCEQUSA-N	218.340	3.472	0	1	BGAF	biogenic
O=C(O)Cc1ccccc1Nc1ccccc1F	29059659	DWKOQWOOVUATNI-UHFFFAOYSA-N	245.253	3.196	0	1	BGAF	in-vivo
C1=C(c2cnc3ccccc3c2)C2CCN1CC2	40917612	WNZRVIBSBSVTIR-UHFFFAOYSA-N	236.318	3.301	0	1	BGAF	
Cc1ccc2cc(CC[C@H](C)O)ccc2c1	169333155	LRVWUMXNIJYNGA-LBPRGKRZSA-N	214.308	3.462	0	1	BGAF	
Cc1cc(C)c2[nH]c([C@@](C)(O)C(C)C)nc2c1	586892825	XEPIBELZPDQCDX-AWEZNQCLSA-N	232.327	3.043	0	1	BGAF	
O=c1c2ccccc2cc(C2CCCCC2)n1O	1857570000	XGLJROYWAVOKFK-UHFFFAOYSA-N	243.306	3.287	0	1	BGAF	
Cc1nccc2c1C[C@H](CC[C@@H](C)O)C2(C)C	14688569	IMDXDPUTIISQIM-PWSUYJOCSA-N	233.355	3.001	0	1	BGAF	endogenous,in-man
CC[C@H](C)COc1cccc2ccc(N)nc12	28385349	YLIRVLXATQGNTR-JTQLQIEISA-N	230.311	3.242	0	1	BGAF	in-vivo
CN[C@]12CCCC[C@@H]1CCc1sccc12	29571624	VNNMGRAPRKCQFK-ZWNOBZJWSA-N	221.369	3.299	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@H]2C1	138848826	LKKDASYGWYYFIK-AYRXBEOTSA-N	240.387	3.115	0	1	BGAF	
Oc1ccc2c(c1)CC[C@@H]1[C@H](c3ccncc3)[C@@H]21	169369700	PMBWFLFXHMHHCP-PMPSAXMXSA-N	237.302	3.231	0	1	BGAF	
C[C@H]1Cc2ccccc2-c2sc(C(N)=O)cc21	653700786	IWQXLXJTCANGKX-QMMMGPOBSA-N	243.331	3.174	0	1	BGAF	
C#CCCC[C@@H]1CC[C@H](C)[C@@H]2CCCN21	14616482	ZZXULMJOWKRHSL-MJBXVCDLSA-N	205.345	3.053	0	1	BGAF	biogenic
C/C=C1\[C@H]2C=C(C)C[C@]1(F)c1ccc(=O)[nH]c1C2	26174593	KBXWALUGKCDAGK-YQEJDHNASA-N	245.297	3.008	0	1	BGAF	
c1ccc2c(c1)[C@@H]1CC[C@H]2N2CCCC[C@@H]12	34217291	XUWUJNGIAHFEKU-SOUVJXGZSA-N	213.324	3.473	0	1	BGAF	
Clc1ccc2cc3c(cc2n1)[C@@H]1CNC[C@@H]3C1	101033330	SRJJMFYWQLESEK-UWVGGRQHSA-N	244.725	3.062	0	1	BGAF	
COc1cc2ccc(=O)oc2cc1CC=C(C)C	238761735	ZKJNIYKTYJLNRF-UHFFFAOYSA-N	244.290	3.310	0	1	BGAF	
C[C@H]1C[C@@]2(C)c3ccccc3C[C@@H]([C@H]2C)N1C	253634252	RWJVTTDOGFCAJS-SHUKQUCYSA-N	229.367	3.229	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cccc(O)c2[nH]1	586885726	AAYJXZKIEKIJSA-SDBXPKJASA-N	216.284	3.172	0	1	BGAF	
c1ccc(CC[N@@]2C[C@H]2c2ccccc2)cc1	1857648905	ZTSNYHQXLQARLW-IRXDYDNUSA-N	223.319	3.286	0	1	BGAF	
COc1ccc(OC)c([C@@H]2OCCC=C[C@H]2C)c1	7992240	KKNQIKFFKQJXFR-IAQYHMDHSA-N	248.322	3.358	0	3	BGAF	
COc1cc(C(=O)O)cc2c1[nH]c1ccccc12	1633853	VZOALRHIINZPKX-UHFFFAOYSA-N	241.246	3.028	0	1	BGAF	biogenic
COc1cc2[nH]c3ccc(O)cc3c2cc1C	6070468	VSFAXCAPDWNRJI-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	biogenic
CCCC(=O)O[C@@H]1C[C@@]2(C(C)C)CC[C@@]1(C)O2	103222986	ZKPFHYZAJWKIKY-MRVWCRGKSA-N	240.343	3.066	0	1	BGAF	
CCC[C@@H](CCn1cncn1)c1ccc(F)cc1	103223126	GEISEJBCEGCTFL-LBPRGKRZSA-N	247.317	3.391	0	1	BGAF	
Cc1c(Cl)cccc1NC1=NC[C@H](C)C1	143592903	SYOOJOVNBSZWPF-MRVPVSSYSA-N	222.719	3.499	0	1	BGAF	
Cc1ccc(O)c(C)c1[C@H]1OC(=O)C[C@@H]1C(C)C	238784876	AFNNYRDPAGKWOO-ABAIWWIYSA-N	248.322	3.269	0	1	BGAF	
N[C]1C2=C(CCCCC2)Nc2ccccc21	2356871670	GVDWQPQTMUZBOH-UHFFFAOYSA-N	213.304	3.169	0	1	BGAF	
NCC12CCC(c3ccccc31)c1ccccc12	13473104	OUBZJILYWZSWOB-UHFFFAOYSA-N	235.330	3.171	0	1	BGAF	
Oc1ccc([C@@H]2CCc3cc(O)ccc3N2)cc1	13490104	SDOVQLQJVRIWQB-AWEZNQCLSA-N	241.290	3.197	0	1	BGAF	
CCC[C@@H]1CCC[C@H]2CC[C@@H](CCCCO)N21	14616398	AUZXYZYSHDCEQZ-KFWWJZLASA-N	239.403	3.335	0	1	BGAF	biogenic
CC(C)/C=C1/C[C@@H](Cc2ccccc2)OC1=O	28474789	ACXYLMMTNYPGKI-YLHGKKIISA-N	230.307	3.127	0	1	BGAF	
CC1(C)CC(=O)[C@]23CCC(=O)[C@@](C)(CC[C@@H]12)C3	103216909	FGHWBFRAAVLHJZ-LKTVYLICSA-N	234.339	3.141	0	1	BGAF	
CC1(C)N(O)c2cc(Cl)c(Cl)cc2[N+]1=O	137904571	TZSOZIOLKHMFKT-UHFFFAOYSA-N	248.089	3.349	0	1	BGAF	
CCN1CCC23C[C@@H]4CC(C[C@H](C4)C2)[C@@H]3C1	169292570	BAABSQDZHYWQEV-ZHLCCONPSA-N	219.372	3.155	0	1	BGAF	
CCC(=O)[C@@H]1CC[C@@H](C)c2ccc(C)nc2C1	169614532	JTNVDCPNHKLOKW-ZYHUDNBSSA-N	231.339	3.425	0	1	BGAF	
CC1(C)[C@@H]2CCC[C@H]3CC[C@](C)(O)[C@@H]3[C@@H]21	2356357330	RWCYAQCZBPFTTA-XJGUIPMBSA-N	208.345	3.220	0	1	BGAF	
C[C@@H]1CCC(=O)[C@](C)(O)C=C2CC(C)(C)C[C@H]21	2356484243	OAXGQQKOWZKFRJ-IFUGULHKSA-N	236.355	3.099	0	1	BGAF	
CC(C)[C@H]1CC[C@@]2(C)C[C@@H](O)[C@@]3(C)CC[C@@]12O3	5731856	VLIUMVVQGMLOJG-UXXRCYHCSA-N	238.371	3.131	0	1	BGAF	endogenous,in-man
O=C1CCC[C@@H]1[C@@H](O)c1ccc2ccccc2c1	8689781	DAGNKZSTMNRBRU-HOCLYGCPSA-N	240.302	3.242	0	1	BGAF	
C[C@H]1CNCCc2ccc(Cl)c(Cl)c21	13978821	VUYGFWKOVMRUIC-ZETCQYMHSA-N	230.138	3.243	0	1	BGAF	
CC(C)[C@H]1CC(=O)c2coc3c2[C@H]1C[C@@H](C)C3=O	14439226	ITOFWMRNIIFZKF-BBBLOLIVSA-N	246.306	3.444	0	1	BGAF	biogenic
O=C1O[C@@H](c2ccccc2)CN1c1ccccc1	14652021	WDQBSTXNKZZKTB-CQSZACIVSA-N	239.274	3.385	0	1	BGAF	biogenic
CC1=CC=C2C1=C[C@@H]1[C@H](C[C@H]2C)OC(=O)[C@H]1C	15264807	UFUPDFMFAKLUDE-OAACRXHESA-N	230.307	3.017	0	1	BGAF	biogenic
COC(=O)[C@@H]1[C@@H](c2ccccc2)C[C@H]2CC[C@@H]1C2	26815841	DRIXPIWDZOXGSL-MYPMTAMASA-N	244.334	3.379	0	1	BGAF	
Oc1cccc2c1CC[C@@H]1[C@H]2[C@@H]1c1ccncc1	36289332	GHVIXHADLSTRNY-IMJJTQAJSA-N	237.302	3.231	0	1	BGAF	
N[C@H]1C[C@@H]2C[C@@H]1c1ccc(C(F)(F)F)cc12	101232252	YVQIQERXVFKDDA-FZYJTZEISA-N	227.229	3.007	0	1	BGAF	
Cc1sc2ccccc2c1[C@@H]1C=CNC=N1	218954018	RQSGXVVELWHRNI-NSHDSACASA-N	228.320	3.396	0	1	BGAF	
c1ccc(C[N@@]2C[C@@H]2c2ccccc2)cc1	1857769434	DFFUVKYEPUBJTB-CVEARBPZSA-N	209.292	3.244	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)[C@@]3(C)CC[C@@]12O3	1595414	VLIUMVVQGMLOJG-XPABHHOTSA-N	238.371	3.131	0	1	BGAF	endogenous,in-man
Cc1cccc2oc(=O)c3c(c12)OC(C)(C)CC3	13378822	IWRBSPVHSCTEFR-UHFFFAOYSA-N	244.290	3.205	0	1	BGAF	biogenic
Cc1cc(C)c2c3c([nH]c2c1)CC[C@H](N(C)C)C3	39214056	XPPMFOAYEAADRE-LBPRGKRZSA-N	242.366	3.204	0	1	BGAF	
C[C@@H]1CC(=O)[C@H]2[C@@H]1C[C@H]1CC[C@]2(C)OC1(C)C	238730866	LHBPDIBQKHRLTR-DAHVATMRSA-N	236.355	3.195	0	1	BGAF	
CC[C@H](C)C=Cc1oc(=O)cc(OC)c1C	2356537233	KTXOHEGYWWVREA-VIFPVBQESA-N	222.284	3.016	0	1	BGAF	
C[C@@H]1CCC2(C3CC4CC(C3)CC2C4)N1C	3639981	GQPLYNXFKRAQIU-IBEXFIOLSA-N	219.372	3.295	0	1	BGAF	
CCN1[C@H]2CC[C@H]1[C@H](c1ccc(Cl)nc1)C2	253633347	JQIIXRVNUHNTBY-SRVKXCTJSA-N	236.746	3.075	0	1	BGAF	
CN[C@@]12c3ccccc3C[C@H]1CCC[C@@H]2C	1492875	SEQVASNPEDFLRB-NJZAAPMLSA-N	215.340	3.094	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O	33951452	SDAWXTDBEYZMMX-FAAHXZRKSA-N	238.371	3.057	0	1	BGAF	
COc1ccc2c(c1)C=C(c1cccnc1)C2	13684504	KPJYOCDWGFDTFR-UHFFFAOYSA-N	223.275	3.187	0	1	BGAF	in-vivo
CCO[C@@H]1CCCc2nc3ccccc3c(N)c21	26675241	WWSLHLXLZRNWKN-CYBMUJFWSA-N	242.322	3.231	0	1	BGAF	
CCCCC1(CC)C(=O)N(c2ccccc2)C1=O	45245951	OMJBWYRKWVXDDX-UHFFFAOYSA-N	245.322	3.146	0	1	BGAF	in-vivo
Oc1ccc2c(c1)[C@@H]1[C@@H](c3ccncc3)[C@H]1CC2	100025721	TVJLBISYUFEUTM-VNQPRFMTSA-N	237.302	3.231	0	1	BGAF	
CC(C)(c1cccnc1)[C@H](N=O)c1cccnc1	169713621	CJLBATLINTYVRN-CYBMUJFWSA-N	241.294	3.262	0	1	BGAF	
CO[C@H]1CCCc2c1nc1cccc3c1c2CC3	587212973	DKJQLWFDUDWEMD-AWEZNQCLSA-N	239.318	3.357	0	1	BGAF	
Cc1nc2ccc(-c3ccnc4[nH]ccc34)cc2[nH]1	1240413296	QQAICODXWLWSIN-UHFFFAOYSA-N	248.289	3.415	0	1	BGAF	
CC1=C[C@H]2CC[C@]1(C)C/C2=C(/C)OC=O	5757777	FWKPDPWUSHLWRV-ZGDCTCODSA-N	206.285	3.200	0	1	BGAF	
Cc1cc2c(C)cc3oc(=O)cc(C)c3c2o1	6070315	IZLPACMKANNNGR-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
c1coc(-c2ccnc3[nH]nc(C4CC4)c23)c1	95920791	CVODVHVJEVVKKB-UHFFFAOYSA-N	225.251	3.095	0	1	BGAF	in-vitro
CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782061	AZCJPMYIWXNBMH-ZLCQRPCESA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
CC1=C[C@H]2c3c(C)coc3C[C@H](C)[C@@]2(O)CC1	238753014	UZOQGANJGSVJFL-HUBLWGQQSA-N	232.323	3.335	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]13	257382663	AZCJPMYIWXNBMH-LZXPERKUSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
CN(C)C12C[C@@H]3CC(C[C@@H](C1)c1ccccc13)O2	101932553	VUDJTOTXQRDULX-HSWOEZIZSA-N	243.350	3.098	0	1	BGAF	
CSc1ccc(-c2cnc3cccnn23)cc1	223807044	FUCCRZFJKOIGJU-UHFFFAOYSA-N	241.319	3.118	0	1	BGAF	
CC(=O)c1ccc2nc(C(C)(C)Cl)[nH]c2c1	587008918	RTDWXIJIXQMUKV-UHFFFAOYSA-N	236.702	3.239	0	1	BGAF	
CC[C@@H]1Cc2nc3cccc4c3c(c21)CC4	587214651	CPTRHABYDJANSQ-SECBINFHSA-N	209.292	3.383	0	1	BGAF	
Oc1cc(CCC2CCCCC2)cnc1O	1772615015	OBZFIKCWFKIVAC-UHFFFAOYSA-N	221.300	3.006	0	1	BGAF	
CC(C=CC(=O)O)=C[C@@H](C)CCCC[C@H](C)O	2356507589	YAJQQKPCPHMNKD-AAEUAGOBSA-N	240.343	3.151	0	1	BGAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@@H]1O	169296214	KSMZUKWIDPCGBS-RKEKIRQTSA-N	238.371	3.131	0	3	BGAF	in-vitro
CC(C)=CC[C@]12CCN(C)[C@H]1Nc1ccccc12	4632525	NCWZIOMMRIPMEA-HZPDHXFCSA-N	242.366	3.368	0	1	BGAF	biogenic
CC(C)(C)c1cc(C(=O)O)cc2c1OCC2(C)C	27182164	OEISAMFJTDFXLO-UHFFFAOYSA-N	248.322	3.352	0	1	BGAF	
C/C(Cl)=C/C=C/C=C/C=C/C=C/C(=O)O	49053706	XUUUHVRPNJADCG-HKNGRZMZSA-N	224.687	3.438	0	1	BGAF	
Cc1c(Cl)cccc1NC1=NC[C@@H](C)C1	143592684	SYOOJOVNBSZWPF-QMMMGPOBSA-N	222.719	3.499	0	1	BGAF	
Cc1ccc(Oc2ncnc3[nH]ccc23)cc1	169331060	VUFBYCXLSJBLOF-UHFFFAOYSA-N	225.251	3.059	0	1	BGAF	
CC(C)Nc1nc(NC2CC2)nc2ccccc12	169337310	QVASBLVHCZSGLO-UHFFFAOYSA-N	242.326	3.024	0	1	BGAF	
Oc1c2c(c(O)c3cc4c(cc13)CCCC4)O2	169721083	GLPNQFINGWQDGV-UHFFFAOYSA-N	228.247	3.236	0	1	BGAF	
c1cnc2ccc3nc(CC4CC4)[nH]c3c2c1	587960684	AEIWZMGUDSOLQN-UHFFFAOYSA-N	223.279	3.064	0	1	BGAF	
CC1=CCC2=C(C)[C@@H](OCC(C)=CCC1)OC2=O	2356486054	COBIVDVGHHGCON-HNNXBMFYSA-N	248.322	3.279	0	1	BGAF	
CC(=CCC[C@@]1(C)O[C@@]2(C)CC[C@H]1[C@H]2C)CO	2356592934	PXVKOXQKGLNFDE-CBBWQLFWSA-N	238.371	3.299	0	1	BGAF	
CCCNC[C@@H](O)c1oc2ccccc2c1CC	13529376	GEZXOQACQRMLMK-CYBMUJFWSA-N	247.338	3.028	0	1	BGAF	
Cc1ccccc1-c1cc2ccc(C(=N)N)cc2[nH]1	24802982	ZRYXDGAKQGRHFG-UHFFFAOYSA-N	249.317	3.427	0	1	BGAF	in-vivo
Oc1onc(-c2cccs2)c1/C=C1\C=CC=N1	26499961	HJAKFRATPKFIOZ-BQYQJAHWSA-N	244.275	3.090	0	1	BGAF	
c1ccc2c(c1)C[C@H]1CN[C@@H]2c2ccccc21	31596841	WJBGPJTZOSLZQG-LRDDRELGSA-N	221.303	3.019	0	1	BGAF	
CC/C=C/c1cc(OC)c(OC)cc1OC	38881629	RWYFPZNSBWWHEI-VOTSOKGWSA-N	222.284	3.136	0	1	BGAF	
CC(C)COc1ccc(Cl)cc1[C@@H]1C[C@@H]1N	72170796	BVYLMDQBOJJSTN-JQWIXIFHSA-N	239.746	3.189	0	1	BGAF	
CCO[C@@H]1C[C@H]2C[C@H](C3CCCCC3)O[C@H]2O1	103293549	ZFJLUPAQLYBAAP-MQYQWHSLSA-N	240.343	3.081	0	1	BGAF	
c1cc2c3c(cc([C@H]4CCCO4)nc3c1)CC2	587216277	YKBHNSIBXASELU-CQSZACIVSA-N	225.291	3.185	0	1	BGAF	
CCC=CC[C@@H]1CC(=O)C[C@@H]1CCCC(=O)O	2356573972	IIQIFLGVPCPTRP-NEPJUHHUSA-N	238.327	3.193	0	1	BGAF	
CC(C)[C@H](C)Cc1cc(=O)c2ccccc2[nH]1	2356686810	TWYLXVRZBCLGHB-LLVKDONJSA-N	229.323	3.363	0	1	BGAF	
COc1cc2c(cc1[C@H](C)CO)[C@H](C)CCC2	2356689054	WXZZUVOODPQACK-GHMZBOCLSA-N	234.339	3.231	0	1	BGAF	
COc1ccc2c(c1)[C@@H](C)CC[C@@]2(O)C(C)C	2356791780	IYMCQDHMNUZFGW-XHDPSFHLSA-N	234.339	3.436	0	1	BGAF	
Cc1cc2c(cc1O)CCc1c-2ccc(O)c1C	29329014	DCNXUQZJVFTNHN-UHFFFAOYSA-N	240.302	3.480	0	1	BGAF	
c1ccc2c(c1)C[C@@H]1NC[C@H]2c2ccccc21	29560680	HWPDIGZXZMCJHZ-CVEARBPZSA-N	221.303	3.019	0	1	BGAF	
COc1ccc2c(c1)[C@H]([C@@H]1C[C@@H]1C)N[C@H]1CC[C@H]21	962998343	VLSRIMXTCHOTAM-OFQRWPDDSA-N	243.350	3.242	0	1	BGAF	
Cc1cc(=S)cc(C)n1CCCn1ccnc1	3252136	ZJNOYQKBMKMKHR-UHFFFAOYSA-N	247.367	3.121	0	3	BGAF	
CCCCOc1ccc(-c2ccncn2)cc1	13530204	RWCVRTQNDKYRGG-UHFFFAOYSA-N	228.295	3.323	0	1	BGAF	
C=C1C(C)=CC(=O)[C@H]2C(C)(C)C(=O)CC[C@]12C	14449326	IHIHSGANYYVZAE-DZGCQCFKSA-N	232.323	3.083	0	1	BGAF	biogenic
CCc1cccc2c3c([nH]c12)CC[C@H](N(C)C)C3	39214022	PDANCANCBIZWCX-LBPRGKRZSA-N	242.366	3.149	0	1	BGAF	
c1ccc2cc([C@]34CCC[C@H]3CNC4)ccc2c1	72112312	KZCROLYCBADBTI-DLBZAZTESA-N	237.346	3.481	0	1	BGAF	
Cc1cncc2nc(C3(F)CCCCC3)[nH]c12	587132724	TYTBXFHHQSZNDM-UHFFFAOYSA-N	233.290	3.395	0	1	BGAF	
CCC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403703	QDEFYPYWUTXVGX-CQSZACIVSA-N	233.311	3.101	0	1	BGAF	
c1ccc(C[N@]2C[C@H]2c2ccccc2)cc1	1857769438	DFFUVKYEPUBJTB-JKSUJKDBSA-N	209.292	3.244	0	1	BGAF	
CCCCc1cc(OC)c(OC)cc1OC	49582967	PIMZKODJXFLZOY-UHFFFAOYSA-N	224.300	3.055	0	1	BGAF	
O=c1ccc2cc(-c3ccco3)ccc2o1	72127983	HKTQGSVHSCFDJG-UHFFFAOYSA-N	212.204	3.053	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]2(C)[C@H](O)[C@@H]13	257503336	OKGYYQFRSOUSFJ-SOAFEQHCSA-N	222.372	3.466	0	1	BGAF	biogenic
C/C(=C\C[C@H]1N[C@@H](c2ccoc2)CC[C@H]1C)CO	14615774	VACAXMGPQVSASV-ZURMFQRFSA-N	249.354	3.038	0	1	BGAF	
Cc1ccc2c(c1C)CC[C@@H](C(C)(C)O)C2	85945875	PVLXCCNONOJBBX-CYBMUJFWSA-N	218.340	3.179	0	1	BGAF	
Fc1cccc(-c2cc3n(n2)CCCC3)c1	96911196	UVAJQCROYXOMDM-UHFFFAOYSA-N	216.259	3.026	0	1	BGAF	
FC(CNCCc1ccccn1)=C1CCCC1	13611577	VZQVSNPEEMNOST-UHFFFAOYSA-N	234.318	3.011	0	1	BGAF	
Cc1c(O)noc1Cc1ccc2ccccc2c1	27707196	OWCSKQRSHPELPV-UHFFFAOYSA-N	239.274	3.433	0	1	BGAF	
Cc1c(O)ccc2c1COc1c-2ccc(O)c1C	28571234	UCANDFJLKWPIBP-UHFFFAOYSA-N	242.274	3.274	0	1	BGAF	in-vivo
O=Cc1ccc([C@H](CN2CC2)C2CCCC2)cc1	85547965	IUGIJIIGPACYBP-MRXNPFEDSA-N	243.350	3.089	0	1	BGAF	biogenic,in-vitro
COc1ccccc1[C@]1(C)CCCC=C1C(=O)O	653709726	UQYUUBJYPXTSQH-HNNXBMFYSA-N	246.306	3.148	0	1	BGAF	
CC(C)Cc1ccc(C=CC(=O)NC2CC2)cc1	1857595283	CDRWKOGHWJOOCM-UHFFFAOYSA-N	243.350	3.177	0	1	BGAF	
COC(=O)C[C@@H](O)CCCCCCCC(C)C	2356377630	GZUMMKMTAIZFSG-ZDUSSCGKSA-N	244.375	3.297	0	1	BGAF	
NCCCCCCc1c[nH]c2ccc(F)cc12	66251771	HOAAGGYRWKCCMG-UHFFFAOYSA-N	234.318	3.369	0	1	BGAF	
S=C1N=C2CCCC[C@H]2[C@H](c2ccccc2)N1	169726112	SXPHPUNQEIAONC-YPMHNXCESA-N	244.363	3.247	0	1	BGAF	
C/C=C/CN(C)Cc1ccc2c(c1)OCCC2	1772601826	XCOIZVQSWWMPBV-ONEGZZNKSA-N	231.339	3.020	0	1	BGAF	
CC1=C2[C@H](CC1)[C@H](C)CC[C@@H]1[C@@H](C)C(=O)O[C@@H]21	2356534632	OCPXKGAHCXKMKP-MNNAQAQOSA-N	234.339	3.321	0	1	BGAF	
CCC=CC[C@@H]1CC(=O)C[C@H]1CCCC(=O)O	2356573975	IIQIFLGVPCPTRP-VXGBXAGGSA-N	238.327	3.193	0	1	BGAF	
CC1=CC(=C[C@@H](C)c2ccc(C)c(O)c2)OC1=O	2356730170	LYKZQZBBOGVEJA-SNVBAGLBSA-N	244.290	3.191	0	1	BGAF	
c1cc(-c2ccc3[nH]ccc3c2)n2ccnc2c1	61903459	LDJQEHCTVPFEJQ-UHFFFAOYSA-N	233.274	3.483	0	3	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1c1c(cccc1C(F)(F)F)C2	26286559	FNNWVHKNBUNHFU-YGOYTEALSA-N	241.256	3.082	0	1	BGAF	
NC[C@H]1[C@H]2CC[C@H](C2)[C@@H]1c1ccc(Cl)cc1	36177472	JGDHOGCSEVVPRV-XCCSTKFXSA-N	235.758	3.428	0	1	BGAF	
Cc1ccncc1-c1ccc2cc(N)ncc2c1	169700039	PGRUVSWBGYRKOS-UHFFFAOYSA-N	235.290	3.187	0	1	BGAF	
CC(C)=CCC[C@]1(C)O[C@@]2(C)CC[C@H]1C[C@H]2O	257730027	YXKYEDPZIRLAKN-XGUBFFRZSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
COc1ccccc1/C=C/c1cccc(N)c1	653757086	KNHDQZOKJJXXHY-MDZDMXLPSA-N	225.291	3.448	0	1	BGAF	
c1c([C@@H]2COC3(CCCCC3)O2)n[nH]c1C1CC1	1857605810	WIZHPXWAHRVOOI-ZDUSSCGKSA-N	248.326	3.035	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@H]1C=C[C@](O)(CO)CC1	2356483614	QRDXWQFHSPWYOD-RRFJBIMHSA-N	238.371	3.059	0	1	BGAF	
CC=C(C)C[C@H]1C(=O)Nc2ccccc21	2356643353	QIMZKLYZLFTHMD-LLVKDONJSA-N	201.269	3.079	0	1	BGAF	
CC1=C[C@@H]2OC(=O)[C@@H](C)[C@@H]2CCC=CCC1	2356647692	TWYXTYZPUDIFIW-AVGNSLFASA-N	220.312	3.241	0	1	BGAF	
CC1=CCC(=O)[C@@H](C)CC[C@H](C(C)(C)O)CC1	2356753211	DWMJDYZSFOSGLA-QWHCGFSZSA-N	238.371	3.489	0	1	BGAF	
Cc1ccccc1-c1ccc2nc(N)ncc2c1	35049815	RAWAQXBVMDKSIO-UHFFFAOYSA-N	235.290	3.187	0	1	BGAF	in-vivo
CN1C[C@@H]2CCCC[C@]2(c2ccccc2)C1	39191212	KOMUTRYSVZSJSV-LSDHHAIUSA-N	215.340	3.060	0	1	BGAF	
CC(C)C[C@H]1N[C@@H](C)S[C@@H](C)S1	95620588	TWYULKMKVIUSSQ-HLTSFMKQSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CN(C)C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccccc1	100822675	KHJQHGAUNZLOFM-JONQDZQNSA-N	229.367	3.378	0	1	BGAF	
Cc1cc2nc(-c3cncc(F)c3)[nH]c2cc1F	587177488	ZRFMLOJWPCMXTJ-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
CC[C@@H](C)c1nc2cc(OC)c(F)cc2[nH]1	587955598	JOVYKTDNIFVLQE-SSDOTTSWSA-N	222.263	3.224	0	1	BGAF	
C[C@H]1CCCc2c(C3CCCCC3)nc(=N)[nH]c21	1857617491	OFMZDKMAXIFZBN-JTQLQIEISA-N	245.370	3.377	0	1	BGAF	
CC(C)=CCC[C@](C)(O)C1CCC(CO)CC1	13377664	HRLGIVKHHDZZSO-NRXISQOPSA-N	240.387	3.283	0	1	BGAF	biogenic
C[C@H](C(=O)O)c1ccc(-c2ccncc2)c(F)c1	13672501	RXVYMKYGSXJURY-VIFPVBQESA-N	245.253	3.076	0	1	BGAF	
Cc1nc(/C=C/c2cccnc2)cs1	13680990	HHLKCNHXNVMBFW-SNAWJCMRSA-N	202.282	3.017	0	1	BGAF	in-vivo
CNCCc1cn2c3c(cc(F)cc13)CC[C@H]2C	28005221	SRHCSDYGKWADRG-SNVBAGLBSA-N	246.329	3.050	0	1	BGAF	
Cc1c2c(cc3cocc3c1=O)CC(C)(C)C2	238777849	XQCNUGZWQYNTNS-UHFFFAOYSA-N	228.291	3.226	0	1	BGAF	
CC[C@H](C)c1nc2cc(Cl)cnc2[nH]1	587955116	GGVFJCYDTIVLCV-LURJTMIESA-N	209.680	3.125	0	1	BGAF	
CC[C@H]1c2c(ccc3ccccc23)OC[C@@]1(C)N	1857575939	VJNPMMDFGRNRMT-XJKSGUPXSA-N	241.334	3.443	0	1	BGAF	
CC(C)=C[C@H](O)CC(C)=CCCC(C)=CCO	2356285501	RAFAKSIGGWRDFJ-HNNXBMFYSA-N	238.371	3.369	0	1	BGAF	
CC(=O)N1c2ccccc2[C@@H]2CCCC[C@@H]21	36387574	RLNAYUXUSMJJAO-JSGCOSHPSA-N	215.296	3.079	0	3	BGAF	
CC(C)=CC(=O)[C@@H]1[C@H](C)CC[C@]1(O)c1ccoc1	13383597	MZISRFGDZVZINJ-UGFHNGPFSA-N	248.322	3.049	0	1	BGAF	biogenic
NC(=O)c1ccc2cc(-c3cccnc3)ccc2c1	13674475	YZCROTKFKZDMLT-UHFFFAOYSA-N	248.285	3.001	0	1	BGAF	
Cc1ccccc1NC(=N)N[C@@H]1C[C@H]2CC[C@@H]1C2	26486971	GBOCJNIKJDWPIB-OUCADQQQSA-N	243.354	3.120	0	1	BGAF	
C[C@H]1CCC[C@]2(C)CC(=O)[C@@H](C(C)(C)O)C[C@@H]12	40827841	SPOVXCZOIMHFTC-JUFZMCDQSA-N	238.371	3.179	0	1	BGAF	
C[C@@H]1C=CC[P@@](=O)(Oc2ccccc2)O1	13661065	VRRAPTMZOFNJNR-BMIGLBTASA-N	224.196	3.233	0	3	BGAF	
O=C1Cc2c(-c3ccccc3)[nH]c3cccc(c23)N1	26734802	PVFUEKFIIVMPFJ-UHFFFAOYSA-N	248.285	3.330	0	1	BGAF	
CN1[C@H]2CC[C@@H](Cc3ccccc3)[C@@H]1CC2	40548189	QVIWWIYJPCZLQR-KKUMJFAQSA-N	215.340	3.102	0	1	BGAF	
CN1CC[C@]23CCCC[C@H]2[C@@H]1Cc1ccccc13	100642652	IHBSVVZENGBQDY-ULQDDVLXSA-N	241.378	3.375	0	1	BGAF	
CC(C)[C@@H]1C[C@@H]2[C@@](C)(NC=O)[C@H]3C[C@@H]1C[C@]2(C)C3	101557358	ISXXOZIZRHXJKT-GWNLFYIMSA-N	249.398	3.219	0	1	BGAF	
Cc1ccc(C)c2c3c([nH]c12)CC[C@@H](N(C)C)C3	169346221	KDZNWMRCHGVHAE-GFCCVEGCSA-N	242.366	3.204	0	1	BGAF	
O=C1CCC[C@@H]1c1cc2c3c(cccc3n1)CC2	587212989	FINCHTIEAHYERR-GFCCVEGCSA-N	237.302	3.170	0	1	BGAF	
COc1cccc2c1C[C@@H](Cc1ccncc1)C2	13736313	JWGVMBXLLOSDHC-ZDUSSCGKSA-N	239.318	3.048	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2[C@@H]1CC[C@@]1(C)C(=O)CC[C@@H]21	29481449	IVLSDDWNIUUOGR-KZTGVZKYSA-N	248.366	3.387	0	1	BGAF	
CCOC(=O)c1cc(/C=C/c2ccsc2)on1	45257727	YJTCFVGJUGDXLW-ONEGZZNKSA-N	249.291	3.083	0	1	BGAF	
COc1cccc2cc(C(C)=O)c(=S)oc12	49803367	YFYZMRDIKYZKII-UHFFFAOYSA-N	234.276	3.373	0	1	BGAF	
N[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(Cc1ccccc1)C3	101457048	PUOAXAQCVOTVQP-ZPBWDRIISA-N	241.378	3.383	0	1	BGAF	
C[C@@H]1CN(C)[C@H]2CCC[C@@]1(c1cccc(O)c1)C2	253634159	PQXPFPOEHHHJSJ-IVMMDQJWSA-N	245.366	3.154	0	1	BGAF	
CC1(C)N(O)c2ccc(C(F)(F)F)cc2[N+]1=O	584622571	CYNHXWHCIMKCOT-UHFFFAOYSA-N	247.196	3.061	0	1	BGAF	
Cc1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1C	586897923	FPWACHPTTIJUIB-TXEJJXNPSA-N	244.338	3.198	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@@H](C)C1)O2	587409445	UOIZLKFHDVKLKV-PSLIRLAXSA-N	245.322	3.101	0	1	BGAF	
C[C@@H]1CC[C@H]2[C@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	685935754	AYXPYQRXGNDJFU-BFWDZPHWSA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
CCCOn1c(CC)nc2ccc(Cl)cc21	5883294	KSFFSTLOMJDPIM-UHFFFAOYSA-N	238.718	3.091	0	1	BGAF	
CCCCCC[C@@H](C)OC(=O)CC(=O)CC	27707186	OAMUBFXKNIHTFV-LLVKDONJSA-N	228.332	3.258	0	1	BGAF	
COc1ccc(/C=C/C(=O)O)cc1CC=C(C)C	72113241	XWVOBHSSIJXKCV-RMKNXTFCSA-N	246.306	3.302	0	1	BGAF	
CCCCc1c(C)oc(O)c(CCCC)c1=O	101230748	HPZUCJXQNAUNSM-UHFFFAOYSA-N	238.327	3.339	0	1	BGAF	
CC[C@@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1	587406794	VKAVGAWHGNXOGW-HNNXBMFYSA-N	245.322	3.101	0	1	BGAF	
CN(c1ccccc1)c1ncnc2ccccc12	13743112	VCLXUEIYTZFLMO-UHFFFAOYSA-N	235.290	3.398	0	1	BGAF	
CC1=CC[C@H]2[C@H]3[C@H]1[C@@]2(C)C[C@H](O)[C@@H]3C(C)C	100781027	BVCNHEVITXGCEP-SOAFEQHCSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
CCCOc1ccc(Cl)cc1[C@@H]1C[C@H]1CN	299853824	QLRUVNWJVHLRAZ-GXSJLCMTSA-N	239.746	3.191	0	1	BGAF	
C[C@@H](F)[C@H](F)Cc1c[nH]c2ccccc12	473151869	RXBJBEBLVGFLJK-LDYMZIIASA-N	209.239	3.407	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cccc(C(=O)O)c2[nH]1	586886697	CTSUALZCLJIANG-LKFCYVNXSA-N	244.294	3.165	0	1	BGAF	
C[C@@H]1O[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1	586917884	XRQIBGMIUNUGBX-AJAUBTJJSA-N	243.093	3.330	0	1	BGAF	
Cc1nccc(-c2cc3c4c(cccc4n2)CC3)n1	587213334	VMLAFJLQDNJUFA-UHFFFAOYSA-N	247.301	3.099	0	1	BGAF	
CC(C)(C)C(=O)N1N=CC[C@H]1c1cccc(F)c1	1857589348	ZLXAZQJEBYTDCD-LBPRGKRZSA-N	248.301	3.131	0	1	BGAF	
CCCN[C@@H]1CCc2ccc3[nH]ccc3c2C1	13741728	HFQNQSPPIPXJLL-GFCCVEGCSA-N	228.339	3.025	0	1	BGAF	
Clc1ccc(OC2=CC=[N+](C3CC3)CC2)cc1	27195546	VBFCXXRNROXQPK-UHFFFAOYSA-N	248.733	3.252	0	1	BGAF	
CCCCCC[n+]1cccc([C@@H]2CCCN2C)c1	43012805	ZBIKLRAGWSOQHD-INIZCTEOSA-N	247.406	3.321	0	1	BGAF	
O=Cc1c(O)ccc2cc(-c3cccnc3)ccc12	146824511	PZRBMEHVHWSEKZ-UHFFFAOYSA-N	249.269	3.420	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CC(C)(C)C)O2	587406732	UXGQHLXDSYXDSP-JTQLQIEISA-N	247.338	3.347	0	1	BGAF	
CC[C@H](NC(=O)c1ccc(OC)c(C)c1)C(C)C	114424143	KXXUKYJRQGOCON-ZDUSSCGKSA-N	249.354	3.168	0	1	BGAF	
CC[C@]1(N)C[C@@H]1c1ccc(OC(F)(F)F)cc1	144319616	WHXALGQIRKFFAV-MNOVXSKESA-N	245.244	3.180	0	1	BGAF	
CC(=O)c1ccc2nc(C=C3CCC3)[nH]c2c1	587964561	COPJIAVYKOLUIJ-UHFFFAOYSA-N	226.279	3.333	0	1	BGAF	
CCCN(CCC)[C@H]1CCn2ccc(C)c2C1	13642082	HCZAXFOGTCSPTF-AWEZNQCLSA-N	234.387	3.233	0	1	BGAF	
c1ccc(-c2cc[n+](CC3CC3)cc2)cc1	26284873	YYEXNEAQULDNKK-UHFFFAOYSA-N	210.300	3.051	0	1	BGAF	
NCc1c(-c2cccnc2)sc2ccccc12	45348460	VAWXHMNFIJSEPD-UHFFFAOYSA-N	240.331	3.422	0	1	BGAF	
Cc1ccc(C2=NO[C@@H](c3ccccc3)O2)cc1	49113046	VHFURVMNGNYNPP-HNNXBMFYSA-N	239.274	3.402	0	1	BGAF	
COC(=O)c1coc(-c2ccc3[nH]ccc3c2)c1	238773691	RNCDIBITYIGCRS-UHFFFAOYSA-N	241.246	3.215	0	1	BGAF	
O=C(Cc1ccccc1)OC=Cc1ccccc1	2356522660	OQIDJPPRRLRDSN-UHFFFAOYSA-N	238.286	3.443	0	1	BGAF	
Cc1cnc(C)c(/C=C\c2ccccc2)n1	15120911	FVNPLROTBAEWRZ-HJWRWDBZSA-N	210.280	3.264	0	1	BGAF	
CCCN1CC[C@H]2c3ccccc3CC[C@H]2C1	26178209	CVPQFQKDTUSMII-GOEBONIOSA-N	229.367	3.448	0	1	BGAF	
CCC1(CC(C)C)C(=O)N(c2ccccc2)C1=O	45245950	IDCYZOAEGDFOSJ-UHFFFAOYSA-N	245.322	3.002	0	1	BGAF	in-vivo
Cc1[nH]c2cc(F)ccc2c1-c1ncccn1	587636981	RLZCVNIKQXZBGU-UHFFFAOYSA-N	227.242	3.072	0	1	BGAF	
CCC=CC[C@@H](CC)[C]1C=CN(C)C=C1C(=O)O	2356824391	GARKGNZODVUQDA-GFCCVEGCSA-N	248.346	3.371	0	1	BGAF	
Nc1ccc(-c2cc3ccccc3c(=O)o2)cc1	61969189	VSQCACOZTCHNNL-UHFFFAOYSA-N	237.258	3.042	0	3	BGAF	
CCc1nc(CC)c([C@H](C)c2c[nH]cn2)s1	13802759	AJFNQDLYCHIWHD-MRVPVSSYSA-N	235.356	3.143	0	1	BGAF	
Cc1ncc2c3ccccc3n(C)c2c1C	71319227	HFNZHAHJPQMSNY-UHFFFAOYSA-N	210.280	3.343	0	1	BGAF	
C/C(=C\c1nc2cnncc2[nH]1)C1CCCCC1	587966338	CHWLZLXNYNBMKR-JXMROGBWSA-N	242.326	3.337	0	1	BGAF	
Cc1cnc(C)c(C=Cc2ccccc2)n1	2356546263	FVNPLROTBAEWRZ-UHFFFAOYSA-N	210.280	3.264	0	1	BGAF	
N=C(CCc1ccccc1)NCc1ccccc1	13487836	JYOAOKHOTSVBOL-UHFFFAOYSA-N	238.334	3.386	0	1	BGAF	
c1nc(CCCCCNC2CCCCCC2)c[nH]1	13685902	XUIQQBLOOOYXMH-UHFFFAOYSA-N	249.402	3.435	0	1	BGAF	
CN(C)[C@H]1CCCC[C@@H]1Cc1ccccc1	29323460	MGEXESJZGKIMMK-CABCVRRESA-N	217.356	3.350	0	1	BGAF	
Cc1ccc2c(c1)[C@H]1CN[C@@H](C2)c2ccccc21	29568275	JIWKMZXTFUAGMT-IRXDYDNUSA-N	235.330	3.327	0	1	BGAF	
COc1c2cccc(C)c2cc2c(CO)coc12	38351579	VTXWULOWVRFQDB-UHFFFAOYSA-N	242.274	3.395	0	1	BGAF	
C(=C1\CCCN=C1c1cccnc1)\c1cccnc1	40392558	YKNJYIOPDVMQOG-GXDHUFHOSA-N	249.317	3.143	0	1	BGAF	
CCCC1(c2nc3c(C)nccc3[nH]2)CCC1	586877961	YXGAJMHDPVGPDY-UHFFFAOYSA-N	229.327	3.488	0	1	BGAF	
COc1ccc(C=CN(C)C(=O)C=C(C)C)cc1	2356596381	HGIHMIZWOBJXGP-UHFFFAOYSA-N	245.322	3.091	0	1	BGAF	
CC1=C[C@@H]2COC(=O)C2=C[C@H]2CC(C)(C)C[C@H]12	2356730985	SDGDZZUGQPRQHZ-DMDPSCGWSA-N	232.323	3.098	0	1	BGAF	
CC1=C2C(=O)O[C@@H](c3ccco3)[C@@]2(C)CCC1	2356735109	WPNOWVWMZUYEQO-JSGCOSHPSA-N	232.279	3.384	0	1	BGAF	
Cn1c(N)c(Cc2ccccc2)c2ccccc21	984319	XSUQNKJIHGEOFJ-UHFFFAOYSA-N	236.318	3.351	0	1	BGAF	biogenic
NCCCCCCCCCc1ccccn1	13531715	VWLKACVZBHNAND-UHFFFAOYSA-N	220.360	3.314	0	1	BGAF	
c1ccc2cc(OCCc3c[nH]cn3)ccc2c1	13758844	PGMKRSXAILDXTQ-UHFFFAOYSA-N	238.290	3.184	0	1	BGAF	
CCC[n+]1ccc2c(c1)[nH]c1ccccc12	19908979	SFUAYJFEBSOZSQ-UHFFFAOYSA-O	211.288	3.019	0	1	BGAF	in-vivo
Cc1cccc2c1NC(=O)NC21CCCCC1	28385223	DBTGWJQDWPKNNM-UHFFFAOYSA-N	230.311	3.290	0	1	BGAF	
NC12C[C@H]3C[C@@H](C1)CC(C1CCCCC1)(C3)O2	40980620	AOLXEMDNMKBYSB-AVJIGQEQSA-N	235.371	3.201	0	1	BGAF	
CC1=CC[C@@](C)([C@@]2(C)CCC[C@]2(O)CO)CC1	85601531	ZRUBZTRZIXUUTD-KFWWJZLASA-N	238.371	3.037	0	1	BGAF	
Cc1cc(Cl)c(OC[C@@H](C)O)c(Cl)c1	169345677	ARGLHPOHOYRVME-SSDOTTSWSA-N	235.110	3.061	0	1	BGAF	
C[n+]1cc(-c2ccccc2)oc1-c1ccccc1	3178347	PYHSOYNJMMGIHW-UHFFFAOYSA-N	236.294	3.438	0	3	BGAF	
C1=C(CCCn2ccnc2)c2cccnc2CC1	13808203	JHKBLBMCCJQROB-UHFFFAOYSA-N	239.322	3.088	0	1	BGAF	
CCCC[C@H]1CN(c2ccccc2)CC[C@H]1N	28821790	YRWPYATYRUCVQO-DZGCQCFKSA-N	232.371	3.030	0	1	BGAF	in-vivo
Fc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccco3)N2O1	169434645	KXOWPKUNDPWJKD-YPMHNXCESA-N	245.253	3.226	0	1	BGAF	
Cc1c(F)ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c12	586899954	XIXFPGXQGFRXTN-AOOOYVTPSA-N	248.301	3.029	0	1	BGAF	
CC1=C[C@@H]2COC(=O)C2=C[C@H]2CC(C)(C)C[C@@H]12	2356730987	SDGDZZUGQPRQHZ-LOWVWBTDSA-N	232.323	3.098	0	1	BGAF	
c1cc2c3c(ccc2[nH]1)CC[C@H](N1CCCC1)C3	12355955	ZHYVAHQXIANQII-ZDUSSCGKSA-N	240.350	3.121	0	1	BGAF	
Cc1c[nH]c(/C=C2/C(=O)Nc3ccccc32)c1C	26834525	RSEXIUPHAVGKPO-KPKJPENVSA-N	238.290	3.124	0	1	BGAF	
S=C(S)O[C@H]1C[C@@H]2C[C@@H]1[C@@H]1CCC[C@@H]21	100468882	PWLXJBSAUKKGCM-OEZYJKACSA-N	228.382	3.042	0	1	BGAF	
CC[C@@H](N=O)/C(C)=C/c1ccc(F)nc1	169723639	ODLSADWQKBSESE-QEHWCHDUSA-N	208.236	3.169	0	1	BGAF	
CC[C@@]12C[C@H]3C[C@H](c4ccc(O)cc41)[C@@H](C2)N3C	299849788	WVSDGILFXSXWGV-NMFKLSHFSA-N	243.350	3.004	0	1	BGAF	
Cc1c(-c2cnn(C)c2)[nH]c2cccc(F)c12	587636141	RTRPVWXEQHCDIS-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
O=c1ccc2ccc3oc4c(c3c2o1)CCCC4	1772641498	MITPPFRRRBZYSG-UHFFFAOYSA-N	240.258	3.418	0	1	BGAF	
Nc1c2c(nc3ccccc13)[C@H]1CC[C@@H]2C1	13766014	STSMGBGTIPIGCZ-BDAKNGLRSA-N	210.280	3.182	0	1	BGAF	
C[C@H](Cc1ccccc1)Cn1cc[nH]c1=S	26499243	JYBWZLBTFXBWSV-LLVKDONJSA-N	232.352	3.424	0	1	BGAF	
N[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1	26569588	ZPTITOXHTKKBPT-HOCLYGCPSA-N	223.319	3.092	0	1	BGAF	
Cc1cnc(Cl)c2[nH]c(C3=CCCC3)nc12	586883754	LEZNLVVRIWMDCJ-UHFFFAOYSA-N	233.702	3.487	0	1	BGAF	
CCC[C@]1(CC)CC(=O)c2cc(C)cc(N)c2O1	587403583	OXECIWCROBHOMQ-OAHLLOKOSA-N	247.338	3.491	0	1	BGAF	
COc1cc(O)cc(C=Cc2ccccc2O)c1	2356380663	NOWDSFJDVBOOBU-UHFFFAOYSA-N	242.274	3.277	0	1	BGAF	
CCC=CCc1[nH]c2ccccc2c(=O)c1C	2356859322	STKKKXHSAFYHBA-UHFFFAOYSA-N	227.307	3.345	0	1	BGAF	
CCC[C@@H]([C@H](O)c1ccc(C)cc1)N1CCCC1	13682229	NJZIWQLWRVISOP-JKSUJKDBSA-N	247.382	3.293	0	1	BGAF	
Cc1cc(C)c2[nH]c3c(c2c1)C[C@@H](N(C)C)CC3	39214025	LXQAACCQPLQUFH-LBPRGKRZSA-N	242.366	3.204	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)N)C1(C)C	40897847	LBMJBUMOPKGEDQ-RWXDJMAFSA-N	221.388	3.432	0	1	BGAF	
CC1=CCCC(CO)=C[C@@H](O)CC(C)=CCC1	2356536208	RCJTUBLQPQRESN-HNNXBMFYSA-N	236.355	3.123	0	1	BGAF	
CCCCc1nc2c(=O)[nH]c3ccccc3c2o1	8772815	FSUXKCZKPCCEPX-UHFFFAOYSA-N	242.278	3.012	0	3	BGAF	
C[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1	6031579	VLMZMRDOMOGGFA-DGFSRKRXSA-N	240.350	3.148	0	1	BGAF	biogenic
CCCN1CCC[C@@H](c2ccccc2OC)C1	29235136	UGSUUBPXDJGUAQ-CYBMUJFWSA-N	233.355	3.285	0	1	BGAF	
CCCCN1COc2ccc(Cl)cc2C1	49067649	VDWOSNJIIDEZPZ-UHFFFAOYSA-N	225.719	3.292	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@H]3C(CO)=CC[C@@H]2[C@H]31	85997801	HKKXAOUJPSHXPX-COMQUAJESA-N	220.356	3.387	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1	586892753	WDMPKGVNEQUIOO-XPTSAGLGSA-N	244.294	3.165	0	1	BGAF	
N[C@@H](N=O)c1cccc(Oc2ccccc2)c1	957756837	TUECZEGUGZDBAZ-ZDUSSCGKSA-N	228.251	3.203	0	1	BGAF	
CC=CCCCCC(=O)[C@H](C)C(=O)N1C=CCC1	2356653416	JGNMZTXDOHXIJQ-ZDUSSCGKSA-N	249.354	3.074	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(CO)=CC[C@@H]3[C@H]([C@@H]21)C3(C)C	2356838979	MFBXCTANYKWTRT-DKTYCGPESA-N	220.356	3.243	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](C)CC[C@H]2[C@@H](C)CO	13381479	JZRBLGYAAXGCNI-USWWRNFRSA-N	234.339	3.310	0	1	BGAF	biogenic
O=C(O)Cc1cccc2oc3ccccc3c12	27551663	HNPLCRIVYZKTLR-UHFFFAOYSA-N	226.231	3.213	0	1	BGAF	
C=Cn1ccc2c1CCN(Cc1ccccc1)C2	27656188	IXHWVYBWYLDMQB-UHFFFAOYSA-N	238.334	3.147	0	1	BGAF	
[O-][n+]1onc2cc(/C=C/C3CCCCC3)ccc21	28648443	WLSGCGLYAOTUDD-VOTSOKGWSA-N	244.294	3.055	0	1	BGAF	
Cc1[nH]c2ncnc(NC3CCCCC3)c2c1C	12352635	MNMIACDKHXNMKX-UHFFFAOYSA-N	244.342	3.319	0	1	BGAF	
N[C@@H]1[C@@H]2CC[C@@H]1c1c2cccc1C(F)(F)F	169305616	HHIJEPNAHYLKPE-SOCHQFKDSA-N	227.229	3.007	0	1	BGAF	
COc1cccc2c1C(=O)c1[nH]c3ccccc3c1-2	29474259	MTHIDZUPODIBRZ-UHFFFAOYSA-N	249.269	3.388	0	1	BGAF	
CCCN(CC)[C@H]1CCc2c(cccc2OC)C1	169329543	XVKFPIXIPKXHDG-AWEZNQCLSA-N	247.382	3.284	0	1	BGAF	
C/C=C\C=C\C=C1\C=C[C@@]2(CCCCO2)O1	238778566	TYODKWRJEBJDRL-DSZSYVEHSA-N	218.296	3.486	0	1	BGAF	
C[C@@]12Cc3ccccc3[C@@H](N1)c1ccccc12	28757743	HSHVGVMMRBOBTL-CVEARBPZSA-N	221.303	3.151	0	1	BGAF	
CC[C@]1(OC)Cc2ccc(C(C)C)c(O)c21	222135515	FQPZYASHPGIFLY-AWEZNQCLSA-N	220.312	3.323	0	1	BGAF	
Cc1coc2c(O)c3c(cc12)C(=O)C[C@@H](C)C3	238741171	QCHMTFJGQVOMEB-ZETCQYMHSA-N	230.263	3.212	0	1	BGAF	
CC(C)(Cl)c1nc2ccnc(Cl)c2[nH]1	587007528	AEDSNDLYUIKSGV-UHFFFAOYSA-N	230.098	3.085	0	1	BGAF	
Cc1c(F)cc(-c2nc3cnccc3[nH]2)cc1F	587132373	DBDODIOOPSGTIV-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](C1(C)CCC1)O2	587404325	DOGMETBDLWPXKX-ZDUSSCGKSA-N	245.322	3.101	0	1	BGAF	
CCC=Cc1cc(OC)c(OC)cc1OC	2356488567	RWYFPZNSBWWHEI-UHFFFAOYSA-N	222.284	3.136	0	1	BGAF	
CCC=CCCCCCCC[C@H](O)[C@@H](C)N	2356512714	BVWZJMSWYIKRNF-KGLIPLIRSA-N	227.392	3.391	0	1	BGAF	
CCC[C@@]1(c2ccc3[nH]ccc3c2)CCNC1	40866678	PNEAEOHMGHCGPC-OAHLLOKOSA-N	228.339	3.199	0	1	BGAF	
NC12C[C@@H]3CC(C[C@H](C3)C1)C21CCCCC1	103027316	KZSATBXDAFGSHG-YKQCJFHZSA-N	219.372	3.474	0	1	BGAF	
C[C@H]1C[C@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	195052129	RWJVTTDOGFCAJS-RKLWJJNISA-N	229.367	3.229	0	1	BGAF	
Cc1cccc2nc([C@H](C(C)C)N(C)C)[nH]c12	587198173	ACOUBXHIKUXVDH-ZDUSSCGKSA-N	231.343	3.130	0	1	BGAF	
CC1=C[C@H](COC(=O)C(C)C)C(C)(C)[C@@H]1C	2356516677	GBPIVQULIDDYBQ-VXGBXAGGSA-N	224.344	3.424	0	1	BGAF	
CN1Cc2cc3c(cc2-c2ccccc21)OCO3	1633843	WAZIYEFJZKKXBR-UHFFFAOYSA-N	239.274	3.032	0	1	BGAF	biogenic
Oc1ccc2c(c1)[C@@H]1[C@H](CC2)[C@H]1c1ccncc1	13741603	TVJLBISYUFEUTM-BMFZPTHFSA-N	237.302	3.231	0	1	BGAF	
Clc1cc(Cc2c[nH]cn2)c(Cl)s1	13862258	QUZTXKNJCOGLEY-UHFFFAOYSA-N	233.123	3.369	0	1	BGAF	
CC1(C)CCC[C@]2(C)C3=C(CC[C@@H]12)COC3=O	14559564	MEGPFBRAROUGQD-NHYWBVRUSA-N	234.339	3.466	0	1	BGAF	biogenic
CC[C@@H](Cc1ccc(SC)cc1)N(C)OC	48998261	LATQSQSLSPUYSC-LBPRGKRZSA-N	239.384	3.223	0	1	BGAF	
c1ccc([C@H]2CC(c3ccoc3)=NO2)cc1	66066014	ZSMCYWLIIFTXIC-CYBMUJFWSA-N	213.236	3.145	0	1	BGAF	
Cc1cc(=O)cc(NCc2ccccc2)s1	101122154	HXWKCRNXZBDNEJ-UHFFFAOYSA-N	231.320	3.029	0	1	BGAF	
CC[C@H](C)[C@@H]1N[C@H](C)S[C@@H](C)S1	261499723	WONMKWKUDGYZEA-RBXMUDONSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
Cc1cccc2nc3n(c12)C(=O)c1ccccc1-3	1637049	HYFACUNFKHMBOA-UHFFFAOYSA-N	234.258	3.014	0	1	BGAF	
O=C1CCC(=C2C[C@@H]3[C@H]4CC(=O)[C@H](C4)[C@@H]3C2)CC1	13835467	YHKBANIERIYRJY-NMFUWQPSSA-N	244.334	3.061	0	1	BGAF	
COc1c(C)c(=O)oc2c(C)cc(C)c(C)c12	14589850	BIYUGWIVMCEIMP-UHFFFAOYSA-N	232.279	3.035	0	1	BGAF	biogenic,in-vitro
C/C=C1\[C@H]2C=C(C)C[C@]1(N)c1ccc(O)cc1C2	29215243	XRMHFNQZCJKNPO-YFVQPIOHSA-N	241.334	3.015	0	1	BGAF	
Cc1cnc2[nH]c(-c3ccoc3C3CC3)nc2c1	586902407	ZAEIRLJTYBPJFT-UHFFFAOYSA-N	239.278	3.404	0	1	BGAF	
C[C@H]1CCc2c(nc3cccc4c3c2CC4)C1	587215695	RSJCUBKFSIVXQI-JTQLQIEISA-N	223.319	3.458	0	1	BGAF	
CCn1cncc1-c1c[nH]c2ccc(C)cc12	1857556880	OZDZKNVFRWJEKF-UHFFFAOYSA-N	225.295	3.360	0	1	BGAF	
CC(C)[C@]12CC[C@]3(C)C[C@H]1C(CO)=CC[C@H]23	13415095	XRDCLHONVXQBIE-BYNSBNAKSA-N	220.356	3.387	0	1	BGAF	
COC(=O)C1=C(c2ccc(Cl)cc2)CCC1	28714351	FPYUHFVUAJRFHA-UHFFFAOYSA-N	236.698	3.451	0	1	BGAF	
C(\Cn1ccnc1)=C1/CCCc2sccc21	29544827	RUTWVMBTFHJSGO-WCIBSUBMSA-N	230.336	3.365	0	1	BGAF	
C[C@@H]1O[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1	586917897	XZFAHZAUKAIIHX-QPUJVOFHSA-N	230.311	3.320	0	1	BGAF	
CC1=CN(Cc2ccc(F)cc2)[CH]C=C1	2356840125	JHBJOZUMGYMEND-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
O=C(/C=C/C=C/c1ccccc1)N1CCCCC1	4300037	VNWDZNZLPSUNTD-YDWXAUTNSA-N	241.334	3.269	0	1	BGAF	
CCCC/C=C/c1c(OC)cc(=O)oc1C	26638411	ZAWKBUWUEPBKGB-BQYQJAHWSA-N	222.284	3.160	0	1	BGAF	
CC(=N)Nc1ccc(C(=O)OC(C)(C)C)cc1	26723560	AVMAIIAYBACMTG-UHFFFAOYSA-N	234.299	3.051	0	1	BGAF	
CCCCSc1c(O)ccc(O)c1C(C)=O	29123368	TWKUKAIYOVCBOZ-UHFFFAOYSA-N	240.324	3.193	0	1	BGAF	
CC(C)c1ccc(N2C[C@@H](C)OC2=O)cc1	29408852	HTVUUODASFLHMV-SNVBAGLBSA-N	219.284	3.155	0	1	BGAF	
C[C@]1(O)CC[C@@H]2[C@@H]3CCCC=C3C=C[C@@]21C	40822833	ILJJWXMZGGKVML-KBXIAJHMSA-N	218.340	3.450	0	1	BGAF	
CC(C)C[C@H](NO)c1c[nH]c2ccc(F)cc12	71335405	NYKJQPDXIDKQJC-ZDUSSCGKSA-N	236.290	3.373	0	1	BGAF	
Cc1ccc(N(C)c2ncnc3c2CCC3)cc1	96934238	SKLPKJLIBLYWKD-UHFFFAOYSA-N	239.322	3.042	0	1	BGAF	
CC(C)[C@@H](C)n1[nH]cc2nc(-c3ccoc3)nc1-2	103584836	CEVVGERJEUBAIO-SECBINFHSA-N	244.298	3.188	0	1	BGAF	
CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@H](CO)CC1	238733150	RFQFDHJCBVXDDH-MGPQQGTHSA-N	240.387	3.427	0	1	BGAF	
C[C@H]1CC[C@]2(NC=O)[C@@H](C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C	238765796	XKLUOZVZDDWYQN-GSTZKUONSA-N	249.398	3.219	0	1	BGAF	
Cc1cc2nc(C3CCC3)[nH]c2cc1F	586884605	QFDNOZVILLULJX-UHFFFAOYSA-N	204.248	3.278	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1(C)CC1)O2	587404348	FEALESYHEWZUNS-OAHLLOKOSA-N	245.322	3.101	0	1	BGAF	
CC[C@@H](C)c1nc2ccnc(Cl)c2[nH]1	587954665	AIGQNTJZIGVIJC-ZCFIWIBFSA-N	209.680	3.125	0	1	BGAF	
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@H](C)CC[C@]13O)C2(C)C	685935712	QWRTXOOFEHOROQ-IMNVLQEYSA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
CC1(C)C=C2CCc3cocc3[C@@H](O)[C@@H]2C1	2356631428	BXLFBSFFOFGUKV-YPMHNXCESA-N	218.296	3.232	0	1	BGAF	
CC(=CCC[C@H](C)[C@@]1(O)CC=C(C)CC1)CO	2356688741	KNGVJRHBQKQKMD-LSDHHAIUSA-N	238.371	3.203	0	1	BGAF	
Cc1c(C)c2c(c3c1CC(=O)N3)[C@H](C)C[C@H]2C	2356830140	JESVLNYUKFKGLJ-HTQZYQBOSA-N	229.323	3.409	0	1	BGAF	
CC[C@H](C)CCCCC1=C[C@H](C)OC1=O	14592371	WNNWZLRNFSNZOJ-QWRGUYRKSA-N	210.317	3.465	0	1	BGAF	biogenic
CC1=C[C@@H]2OC(=O)C3=CC[C@H](C(C)C)[C@@H](C1)[C@H]32	14918233	YTTBRPHKLFGIOX-ZZVYKPCYSA-N	232.323	3.097	0	1	BGAF	biogenic
CC/C=C\C[C@@H]1CC(=O)C[C@H]1CCCC(=O)O	140563391	IIQIFLGVPCPTRP-OPVGQWETSA-N	238.327	3.193	0	1	BGAF	
C[C@@H]1C(=O)C[C@H]2[C@]3(C)CC[C@H]4[C@H](C4(C)C)[C@]123	238739182	DBBKOIZBFAOPQO-IZQWYWGWSA-N	218.340	3.284	0	1	BGAF	
COc1cc2nc(C3CCC3)[nH]c2cc1Cl	586883510	DOYCZQKDSXBDHX-UHFFFAOYSA-N	236.702	3.492	0	1	BGAF	
Fc1cccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587966062	ADAQNEQTPXGGCU-IVZWLZJFSA-N	228.270	3.382	0	1	BGAF	
CCN1CC[C@H](C2C3CC4CC(C3)CC2C4)C1	26254090	ZTPIYOZDCMONDI-OUCUAENXSA-N	233.399	3.401	0	1	BGAF	
CCOc1ncc(CC[C@H](C)CC)nc1C	26674572	HGNNYUOEXPRIPV-SNVBAGLBSA-N	222.332	3.162	0	1	BGAF	
c1ccc2c(c1)CN1CCCCCCC1=N2	49925431	GCTYUVIIPGRTHM-UHFFFAOYSA-N	214.312	3.496	0	1	BGAF	
Cc1ccc2c(c1)[C@]1(C)N[C@@H](C2)c2ccccc21	100649310	DGTUVJAVPZIMON-DLBZAZTESA-N	235.330	3.459	0	1	BGAF	
CCN(CC)C12C3[C@@H]4CC[C@H]1[C@@H]4[C@@H]1[C@@H]2CC[C@@H]31	169349773	GDVMUULPVWCANP-QFQQLQRXSA-N	231.383	3.009	0	1	BGAF	
C[C]1C=CC(O)=C(CCc2ccccc2)N1	2356858699	QTKDNEQTZBJJOJ-UHFFFAOYSA-N	214.288	3.100	0	1	BGAF	
Sc1c(-c2ccccc2)sc2cccc[n+]12	29403112	PTCAKNKMCDJJRL-UHFFFAOYSA-O	244.364	3.443	0	1	BGAF	
CCCN1CCC(c2n[nH]c3ccccc23)CC1	95563821	FNZNOBSAZSOSGF-UHFFFAOYSA-N	243.354	3.152	0	1	BGAF	
CCc1nc2ccccc2c(OC(C)=O)c1C	103288949	WFEINEPAMRBKRJ-UHFFFAOYSA-N	229.279	3.031	0	1	BGAF	
CC1=C[C@H]2CC[C@H]3[C@@H](C)C[C@@H](C)[C@@H](C1)N32	143715059	GZLDGJFXXOEXDX-MQLXINIDSA-N	205.345	3.214	0	1	BGAF	
Nc1cccc2oc(-c3ccccc3)cc(=O)c12	13604394	LHJOARHQIVOEDE-UHFFFAOYSA-N	237.258	3.042	0	1	BGAF	
CCN[C@H](C)Cc1ccc(SCC)cc1	48999595	UKMQZNZTCNFILP-LLVKDONJSA-N	223.385	3.339	0	1	BGAF	in-vivo
CC(=O)Oc1cc2c3c(cccc3c1)O[C@@H](C)C2	238784547	LJABLUDQWNPNDU-VIFPVBQESA-N	242.274	3.089	0	1	BGAF	
COc1cccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c12	586917714	VOBPQCBAGBDWHF-CABZTGNLSA-N	246.310	3.059	0	1	BGAF	
Cc1[nH]c2cccc(F)c2c1Cn1ccnc1C	587635380	GQEHQPQZOKOSIB-UHFFFAOYSA-N	243.285	3.169	0	1	BGAF	
CC1=C[C@H](O)[C@@H](C(C)C)[C@H](O)CC(C)=CCC1	2356498193	MEXHQMBFSXHUEF-ILXRZTDVSA-N	238.371	3.057	0	1	BGAF	
CC1=CN(Cc2ccccc2F)[CH]C=C1	2356833229	OMXMFNILHVPNBN-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
O=C1NC2(CCCCC2)C2=C1CCCCC2	1619826	YHSCJMJPPQZFKH-UHFFFAOYSA-N	219.328	3.080	0	1	BGAF	
C[C@@H]1CC2=C(C=C3CC(C)(C)C[C@@H]31)C(=O)OC2	14486933	ILAONLFRMRRNAF-NOZJJQNGSA-N	232.323	3.242	0	1	BGAF	biogenic
CC[C@@H](C)/C=C/c1oc(=O)cc(OC)c1C	14658860	KTXOHEGYWWVREA-XCODYQFDSA-N	222.284	3.016	0	1	BGAF	
Cc1ccccc1NC(=N)Nc1cccc(O)c1	26491379	CHEFWPFMFSWBKT-UHFFFAOYSA-N	241.294	3.159	0	1	BGAF	
COC(=O)/C=C/c1cccc(OCC=C(C)C)c1	103299925	GWDORLFXFDKDKI-BQYQJAHWSA-N	246.306	3.218	0	1	BGAF	
COc1snc2cc(-c3ccsc3)cnc12	223249053	DTRRYNGLJMRQKR-UHFFFAOYSA-N	248.332	3.428	0	1	BGAF	
CC/C=C\c1cc(OC)c(OC)cc1OC	225268544	RWYFPZNSBWWHEI-SREVYHEPSA-N	222.284	3.136	0	1	BGAF	
C1=C(c2nc3ccc4c(c3[nH]2)CCCC4)CCO1	586914109	ZQMXJNQTOSYIMO-UHFFFAOYSA-N	240.306	3.203	0	1	BGAF	
O=Cc1ccccc1-c1ccnc(Cl)c1	857754757	FLOMKCOIPKAPSM-UHFFFAOYSA-N	217.655	3.215	0	1	BGAF	
C=CC(C)=CC=C[C@@](C)(O)[C@@H]1CCC(C)(C)O1	2356420305	VZBMIEMHBOCITJ-DZGCQCFKSA-N	236.355	3.384	0	1	BGAF	
O=C1c2cccc3c2C(=C2C=CC=C[C@@H]12)N=N3	4335977	SUKOONQPTDFULM-SECBINFHSA-N	220.231	3.434	0	1	BGAF	
C[C@@H](CCCCCCCCC(=O)O)CC(=O)O	38789148	LFRDJQLRELTNCX-NSHDSACASA-N	244.331	3.303	0	1	BGAF	
C/C=C(C)\C=C(/C)c1cc(OC)c(C)c(=O)o1	213572989	SHJHZIUPBJKXFY-PCCLLEMOSA-N	234.295	3.326	0	1	BGAF	
C[C@@H]1CC[C@H](O)[C@@]2(C)CC[C@@H]3C[C@]12OC3(C)C	238781646	KBDUCUDIASUHFM-AMVBZWJASA-N	238.371	3.131	0	1	BGAF	
C/C(=C/c1nc2cncnc2[nH]1)C1CCCCC1	587968420	QBBDAJJCSOXQJB-YFHOEESVSA-N	242.326	3.337	0	1	BGAF	
O=N/C(=C1\C=CC=CN1)[C@H]1C[C@@H]1c1ccccc1	103918974	YQVURMCSNDHQOF-ASTIVABDSA-N	238.290	3.441	0	3	BGAF	
COc1ccc2c(c1)[C@]1(C)CCC(=O)C[C@H]1CC2	3472871	MMDQZMROSQWSDC-MLGOLLRUSA-N	244.334	3.268	0	1	BGAF	biogenic
c1cn(CC[C@H]2CCCc3sccc32)cn1	13808211	VXSCOZUNSFZLHG-LLVKDONJSA-N	232.352	3.455	0	1	BGAF	
CC1(C)CCC(C)(C)c2cc(C(=O)O)c(O)cc21	39171488	BPWJFRMNQQXQHD-UHFFFAOYSA-N	248.322	3.439	0	1	BGAF	
O=N/C=C1/C=CC=CN1CCc1ccccc1	146457862	BJFDKASOIXIWDM-OWBHPGMISA-N	226.279	3.222	0	1	BGAF	
C[C@@H]1CC[C@H](O)[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@]4(C)C3	238747764	VMCKVEZJNIGBQQ-ALXNTHISSA-N	220.356	3.220	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@H](C1CC1)CC2=O	587486239	XFRWXMIZJQPRBK-AWEZNQCLSA-N	246.306	3.089	0	1	BGAF	
Clc1cc(N2CCOCC2)c2cccccc1-2	653699273	SZWAMXBLXREFHK-UHFFFAOYSA-N	247.725	3.281	0	1	BGAF	
Cc1ccc(C2=NC(=O)OC2(C)C)c(C)c1	5126561	JCSTUDCMCKZNQO-UHFFFAOYSA-N	217.268	3.021	0	1	BGAF	
Nc1ccc2oc(C3=CN4CCC3CC4)cc2c1	13757487	NJWRXZDGANXMDC-UHFFFAOYSA-N	240.306	3.082	0	1	BGAF	
CCc1ccccc1SCC(=O)C(F)(F)F	13859399	CGWQRRJTKPHJBB-UHFFFAOYSA-N	248.269	3.473	0	1	BGAF	
CC1=C[C@@H]2OC(=O)C(C)=C3CC[C@@](C)(CC1)[C@H]32	15273780	DGKFETRFKMWAAU-GZBFAFLISA-N	232.323	3.385	0	1	BGAF	biogenic
CN(C)[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2	27656892	COWDKPMELZNFIV-INWMFGNUSA-N	227.351	3.430	0	1	BGAF	
Oc1cnc2ccc(-c3ccncc3)cc2c1	63539651	GKODJBVKKLQMEY-UHFFFAOYSA-N	222.247	3.002	0	1	BGAF	
CNCCc1c(C(C)(C)C)[nH]c2ccccc12	72123424	CRGQVOYFGZSYOU-UHFFFAOYSA-N	230.355	3.227	0	1	BGAF	
CC(C)C[C@H]1N[C@H](C)S[C@@H](C)S1	95620589	TWYULKMKVIUSSQ-YIZRAAEISA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
COC(=O)[C@H]1[C@H]2CC[C@@H](C2)C[C@@H]1c1ccccc1	100861309	DRIXPIWDZOXGSL-MHEUCROKSA-N	244.334	3.379	0	1	BGAF	
C/C(=C\CC[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C)C(=O)O	238742477	NZSCHTYUGUVLHG-JPPNKFBCSA-N	234.339	3.480	0	1	BGAF	in-vitro
C[C@@H]1CCC2=C(COC2=O)[C@@H]2CC(C)(C)C[C@H]12	2356529692	PNSDVYLOAYHPKJ-YUSALJHKSA-N	234.339	3.322	0	1	BGAF	
Oc1cc(O)c2c(c1)O[C@@H](c1ccccc1)C=C2	96908941	OLKAZOSRXWPGPU-CQSZACIVSA-N	240.258	3.245	0	1	BGAF	
C/C=C/C=C/C=C1\C=C[C@@]2(CCCCO2)O1	238779199	TYODKWRJEBJDRL-VYHZYGPHSA-N	218.296	3.486	0	1	BGAF	
C[C@H](CC[C@@H]1C(C)(C)CCC[C@]1(C)O)C(=O)O	2356383527	PHRPMBLSUPFUQJ-GYSYKLTISA-N	242.359	3.065	0	1	BGAF	
CC1=CC(C)=CN(CC(=O)c2ccccc2)[CH]1	2356840204	MOOZILHAHHXOCM-UHFFFAOYSA-N	226.299	3.197	0	1	BGAF	
Cc1ccc2nnnc(-c3ccccc3)c2c1	990219	ULRKGQCGNFRYFP-UHFFFAOYSA-N	221.263	3.000	0	3	BGAF	
C=C1C(=O)O[C@]23C=C(C)CCC[C@]2(C)CC[C@@H]13	14455698	UXTXADQJTURZKJ-CFVMTHIKSA-N	232.323	3.385	0	1	BGAF	biogenic
CCCCCc1cc(=O)c2cc(O)ccc2o1	28875397	PXRUPLWEDFSNNO-UHFFFAOYSA-N	232.279	3.231	0	1	BGAF	
Cc1c(C(=O)O)[nH]c2c(C3CC3)csc12	84706551	FMVDSUJWEDWDQD-UHFFFAOYSA-N	221.281	3.113	0	1	BGAF	
C/C1=C\[C@H](O)C[C@@H](C)/C=C/[C@@H](C(C)(C)O)CC1	85601735	OILIIWQLXDSNNC-LRNRGZIJSA-N	238.371	3.057	0	1	BGAF	
C[C@H]1CC[C@@]2(c3cccc(O)c3)CCN(C)[C@@H]1C2	96911437	GYMNUWBSTONAJV-APHBMKBZSA-N	245.366	3.154	0	1	BGAF	
CC(C)Oc1ccc(Cl)cc1[C@H]1C[C@@H]1CN	299853970	SBUGRSZWKNBMEV-KOLCDFICSA-N	239.746	3.189	0	1	BGAF	
CCc1nc2cccc3c2c(c1CC)CC3	587214680	WEGPUUNSESBTTO-UHFFFAOYSA-N	211.308	3.458	0	1	BGAF	
C[C@@]12CCc3c(nc4cccc5c4c3CC5)[C@@H]1O2	587216321	ZXKVLOYXYZDTQF-JKSUJKDBSA-N	237.302	3.110	0	1	BGAF	
Cc1ccnc2[nH]c([C@@H]3CC=CC[C@H]3C)nc12	587971238	WYHKZTJQWTUBIC-MWLCHTKSSA-N	227.311	3.336	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]([C@@H]3[C@@H]1CC[C@@]3(C)O)C2(C)C	2356542965	HEONDCYMGTYQCB-QUMMREBQSA-N	222.372	3.466	0	1	BGAF	
CCC=CCC=CCCC=CC=C[C@@H](O)[C@@H](C)N	2356791195	ILYNRSKFLRVBPQ-HZPDHXFCSA-N	249.398	3.500	0	1	BGAF	
CC(C)[C@H]1OC(=O)C=C1Sc1ccccc1	1580653	LPVKTKGNGDUVOK-CYBMUJFWSA-N	234.320	3.244	0	1	BGAF	
c1ccc([C@H]2CC[C@H]3CCCCN32)cc1	26724644	RSSNGXWQVBKBDG-ZIAGYGMSSA-N	201.313	3.376	0	1	BGAF	
C[C@@]12CN[C@H](Cc3ccccc31)c1ccccc12	100739968	IIZBAWRPFWPBHJ-IAGOWNOFSA-N	235.330	3.193	0	1	BGAF	
Cc1cc(C)c2[nH]c([C@H]3CC[C@@H](O)CC3)nc2c1	586898938	LRVSQLNXAIKLGG-TXEJJXNPSA-N	244.338	3.198	0	1	BGAF	
C/C(=C\c1cccc(-c2ccccc2)c1)C(N)=O	653741194	NAHLELASELEGMX-ZRDIBKRKSA-N	237.302	3.242	0	1	BGAF	
C[C@@H]1CCC2=C(COC2=O)[C@H]2CC(C)(C)C[C@H]21	2356529691	PNSDVYLOAYHPKJ-USWWRNFRSA-N	234.339	3.322	0	1	BGAF	
CCc1ccc([C@@H](O)c2ccc(F)cc2)c(O)c1	28760856	JZQFZQRPKCHMFS-HNNXBMFYSA-N	246.281	3.175	0	1	BGAF	
CC/C=C/C[C@H](CC)c1cc[n+](C)cc1C(=O)O	238744615	DMDBMBQDHWWUPF-SYTKJHMZSA-O	248.346	3.059	0	1	BGAF	
CC1=CC[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCC[C@@]3(C)C(=O)O	238770243	VDONEVPQGNFVNV-FMKNKJFCSA-N	234.339	3.480	0	1	BGAF	
CCCC/C=C/c1nc2ccc(C(=N)N)cc2[nH]1	587965058	GOZAUTYDUHWCSW-AATRIKPKSA-N	242.326	3.050	0	1	BGAF	
CC1=C[C@H](O)[C@H](C(C)C)[C@@H](O)CC(C)=CCC1	2356498196	MEXHQMBFSXHUEF-SOUVJXGZSA-N	238.371	3.057	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC=C(C(=O)O)[C@H]2[C@@H]13	2356626207	OWRXXWMFSVYUSF-CLPVKGIJSA-N	234.339	3.336	0	1	BGAF	
Cn1c2c(c3ccccc3c1=O)Cc1ccccc1-2	28955750	XVYKMCRCXBFHJS-UHFFFAOYSA-N	247.297	3.110	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)C[C@@H](O)[C@]3(C)CC[C@]12O3	70454714	VLIUMVVQGMLOJG-AICCOOGYSA-N	238.371	3.131	0	1	BGAF	biogenic,in-vitro
Cc1ccc([C@H]2COc3ccccc3C2=O)cc1	84632261	CKZDVTPWOZRRRF-CQSZACIVSA-N	238.286	3.354	0	1	BGAF	
CCc1c(OC(=O)N(C)C)ccc2ccccc12	84687418	LBDJEDUKOHTDSZ-UHFFFAOYSA-N	243.306	3.463	0	1	BGAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@H](CO)[C@@H]3CC[C@]12C3	231204456	KTMJGGMQCFLMFK-BGPZULBFSA-N	222.372	3.467	0	1	BGAF	
CCc1ccc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2c1	586898213	HBMOJGXKVSJQKX-TXEJJXNPSA-N	244.338	3.144	0	1	BGAF	
CC(C)[C@@H]1C[C@@]2(C)[C@H]3CC[C@@](C)(NC=O)[C@H]2C[C@@H]13	2356395388	PDLPLWDSKGNXJE-OJFNHCPVSA-N	249.398	3.219	0	1	BGAF	
CCC=CC=CC=CC[C@H](OC)[C@H](C)NC	2356494019	OZYMABBRNUUXQX-KBPBESRZSA-N	223.360	3.078	0	1	BGAF	
CC=CCCC(=O)c1cc(C)c(OC)cc1O	2356731091	ZIGZPFKMYVVARN-UHFFFAOYSA-N	234.295	3.248	0	1	BGAF	
COc1cc2c(cc1C(=O)O)C(C)(C)CCC2	103182020	BNRYNBSEUHHTGN-UHFFFAOYSA-N	234.295	3.007	0	1	BGAF	
CC(C)(O)[C@H]1CC[C@@]2(C)CCC[C@](C)(O)[C@@H]2C1	103395350	LKKDASYGWYYFIK-MXYBEHONSA-N	240.387	3.115	0	1	BGAF	
COc1ccc(-c2ccc3[nH]ccc3c2)cn1	166327467	MVBNJDMQSFIKEY-UHFFFAOYSA-N	224.263	3.239	0	1	BGAF	
O=NCc1ccc(-c2nc3ccccc3[nH]2)cc1	587189710	FNYOOWNMUIMHHP-UHFFFAOYSA-N	237.262	3.496	0	1	BGAF	
c1cc2c3c(cc(-c4cscn4)nc3c1)CC2	587359750	IQHXVQCTUXWNHU-UHFFFAOYSA-N	238.315	3.457	0	1	BGAF	
Cc1ccc2c(c1)O[C@H](C[C@@H](C)O)C[C@@H]2C	2356874187	YTSLUCUOKPWEMY-TUAOUCFPSA-N	220.312	3.021	0	1	BGAF	
Cc1ccc([S@](=O)c2cccs2)cc1	5846695	UEYSPGXYOFYNGQ-CQSZACIVSA-N	222.334	3.223	0	1	BGAF	
CC1=CC[C@@H]2C(=C1)C(C)=C[C@H](O)[C@H]2C(C)C	14407085	NWUMKWIRTFTXBF-SNPRPXQTSA-N	218.340	3.472	0	1	BGAF	biogenic
C=C(C)[C@@H]1CC[C@]2(C)CC(=O)C=C(C)[C@@H]2C1=O	15206562	RHQXQCXSOLMDEY-GZBFAFLISA-N	232.323	3.083	0	1	BGAF	biogenic
COC(=O)c1ccc(OC)c2c1CCCC2(C)C	38765706	RDVGCEYREGJMMR-UHFFFAOYSA-N	248.322	3.096	0	1	BGAF	
CN1[C@H]2CC[C@H]1CC(CC(=O)c1ccccc1)C2	100866632	DHZKTPOSTCZRBL-GJZGRUSLSA-N	243.350	3.132	0	1	BGAF	
CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2C[C@H](O)[C@H]3C	238758669	CLLPJTJAWPETTB-MCZMQQNQSA-N	220.356	3.386	0	1	BGAF	
C[C@H]1CCCN1c1cnc2ccccc2c1	299869707	VFFBJGSNOJBQBY-NSHDSACASA-N	212.296	3.224	0	1	BGAF	
c1ccc([C@@H]2C[C@@H]3C[C@@H](c4ccco4)N2O3)cc1	13119987	BTDMDCMAYSCHMS-RDBSUJKOSA-N	241.290	3.472	0	1	BGAF	
Cc1cc(-c2c[nH]c3cc(N)ccc23)ccn1	40566176	WWCWJSAJAMVYSG-UHFFFAOYSA-N	223.279	3.121	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)[C@@H]1C[C@H]1CC4)CC2	587215554	QDRNKZHGKHNXFX-ZWNOBZJWSA-N	221.303	3.383	0	1	BGAF	
Clc1ccc2nc(C=C3CCC3)[nH]c2n1	587965211	PRPKKWPIQHAREY-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
O=C(C1CCCC1)N1N=CC[C@@H]1c1ccccc1	1857559955	QKVJJBFCEGFPPG-CQSZACIVSA-N	242.322	3.136	0	1	BGAF	
C=CC=CCCCCCCC[C@@H](O)[C@@H](C)N	2356524072	PDPUNMLGRNINFK-ZIAGYGMSSA-N	225.376	3.167	0	1	BGAF	
C1=C[C@@H](Cc2cncs2)c2ccccc21	36387644	HSDVYTNJRRSDRH-NSHDSACASA-N	213.305	3.496	0	3	BGAF	
O=C1NCc2ccccc2-c2c1[nH]c1ccccc21	35259483	MTSJAEVRQBBFOS-UHFFFAOYSA-N	248.285	3.078	0	1	BGAF	
CCc1cccc(C(=O)c2ccccc2)c1N	26386160	ZRMPOMXNXYEOIB-UHFFFAOYSA-N	225.291	3.062	0	1	BGAF	
CNc1ncc(-c2ccccc2)c(C(C)(C)C)n1	169318540	QHIWOULITDPYMF-UHFFFAOYSA-N	241.338	3.483	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2c(C)nc(C)cc2[nH]1	586893400	XMOGTSXCGFQSAT-HZMBPMFUSA-N	229.327	3.478	0	1	BGAF	
CCN(CC)CCc1c[nH]c2cccc(OC)c12	2539053	HIVMOHVUFLVCMM-UHFFFAOYSA-N	246.354	3.061	0	1	BGAF	
CC1=CC[C@@H]([C@@]2(C)CC[C@@H](O)C(C)(C)O2)CC1	14859987	WJHRAVIQWFQMKF-UMVBOHGHSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
CCCC/C(Br)=C\C(=O)OCC	205702383	HPQFTDIJKZJGDY-BQYQJAHWSA-N	235.121	3.019	0	1	BGAF	
COc1ccccc1-c1nc2ccncc2s1	1857589478	WWZRSJNLDVHPPM-UHFFFAOYSA-N	242.303	3.367	0	1	BGAF	
CC[C@@H](O)C=CCCCCCCCC(=O)O	2356442727	NSVPCFNUUARRKL-GFCCVEGCSA-N	228.332	3.129	0	1	BGAF	
CCCC=CCCCC[C@@H](OC(C)=O)[C@@H](C)N	2356788314	CBOFPIBXDPMNTN-TZMCWYRMSA-N	241.375	3.182	0	1	BGAF	
OCc1ccc2[nH]c(-c3ccccc3)cc2c1	40395705	GIQGXJGKGADCKB-UHFFFAOYSA-N	223.275	3.327	0	1	BGAF	
Cc1coc2c1c(=O)oc1c3c(ccc12)CCC3	45254497	TWNDVKFIRVEXQR-UHFFFAOYSA-N	240.258	3.336	0	1	BGAF	
CC(C)N(Cc1c[nH]cn1)c1ccccc1Cl	95561381	DKGKODPQOYSUGC-UHFFFAOYSA-N	249.745	3.478	0	1	BGAF	
CCc1c(C)c(C)c2nc3ccccc3n2c1O	621430786	CZVSSUMRZFTCLA-UHFFFAOYSA-N	240.306	3.372	0	1	BGAF	
C[C@@H]1CCC(=O)[C@@](C)(O)C=C2CC(C)(C)C[C@@H]21	2356484242	OAXGQQKOWZKFRJ-HCKVZZMMSA-N	236.355	3.099	0	1	BGAF	
CCC(=O)OCCC1=CC[C@@H]2C[C@H]1C2(C)C	14614460	UHQXDKLOMGZPJS-VXGBXAGGSA-N	222.328	3.322	0	1	BGAF	
S=C(S)SCc1ccccc1	36457040	XTHRTLHUMOKINM-UHFFFAOYSA-N	200.353	3.135	0	1	BGAF	
Cc1oc2nc3oc(=O)c(C)c(C)c3cc2c1C	49785421	SOJSQZMEKYJXKY-UHFFFAOYSA-N	243.262	3.168	0	1	BGAF	
CC(C)[C@H]1CC[C@@H](C)[C@]23CC[C@@](C)(O)[C@H]2[C@H]13	238742423	KONGRWVLXLWGDV-KYFQHEKYSA-N	222.372	3.466	0	1	BGAF	
COc1cccc2cc3c(c(O)c12)[C@@H](C)OC3	1857590363	DIIOOPRXSOBVNR-MRVPVSSYSA-N	230.263	3.145	0	1	BGAF	
CC1=CCC[C@H](C)C=C[C@@H](C(C)(C)O)C[C@H]1O	2356764970	DXVZUYIXOHXNBU-IACUBPJLSA-N	238.371	3.057	0	1	BGAF	
O=C1[C@H]2CCc3ccccc3[C@H]2N1c1ccccc1	36387655	PGNRUNAHXOIWJY-JKSUJKDBSA-N	249.313	3.337	0	3	BGAF	
Cc1c(C2(O)CCCCC2)[nH]c2cnccc12	36388939	COLJPJHVNPGADW-UHFFFAOYSA-N	230.311	3.023	0	3	BGAF	
CC1=C[C@@H]2C[C@]3(C=CC(=O)O3)C(C)(C)[C@@H]2CC1	14713704	PWTRDPWPWGTWHR-LALPHHSUSA-N	232.323	3.241	0	1	BGAF	biogenic
CC1=C2[C@H](C[C@@H]3CCC[C@@H]4CC[C@H]2[C@]34C)OC1=O	2356462619	YOLUHJBWUANMDW-CRQFQMBKSA-N	246.350	3.465	0	1	BGAF	
CC(C)CNC(=O)C=CC=CCc1cccs1	2356538604	KNGBXFMEGLRFHV-UHFFFAOYSA-N	249.379	3.175	0	1	BGAF	
C[C@@H]1c2cc(O)ccc2O[C@@H]1c1ccc(O)cc1	13461441	MONNAPDKXVIYTJ-PSLIRLAXSA-N	242.274	3.335	0	1	BGAF	biogenic
C/C1=C\CC/C(CO)=C/Cc2c(C)coc2C1	238774357	OFGSMCKPLONCAV-OCQZDXRCSA-N	232.323	3.332	0	1	BGAF	
c1cc2cc(-c3ccnc4[nH]ccc34)c[nH]c-2n1	1240390970	AZBHKLYQEBPDAL-UHFFFAOYSA-N	234.262	3.058	0	1	BGAF	
O=C(c1ccccc1)c1ccc2cccc(O)c2n1	1628647	VAFYGDVFWDZPGU-UHFFFAOYSA-N	249.269	3.171	0	1	BGAF	
CC(=O)[C@@H]1C/C(=C\OCc2ccccc2)O[C@H]1C	6001606	HPAYDONQDAQPIU-MCGVVMAKSA-N	246.306	3.059	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1C[C@H](O)C(C)=C[C@H]1O	13377239	FPSDOHYYKFXKFR-PMOUVXMZSA-N	238.371	3.057	0	1	BGAF	in-man
COc1cc2ncn(-c3ccccc3)c2cc1C	13798322	WPXHLCRXNRVXOL-UHFFFAOYSA-N	238.290	3.343	0	1	BGAF	
Cc1ccccc1NC(=N)N[C@H]1C[C@H]2CC[C@@H]1C2	26486977	GBOCJNIKJDWPIB-SCRDCRAPSA-N	243.354	3.120	0	1	BGAF	
C/C(=C\c1cc(O)cc(O)c1)c1ccc(O)cc1	40913489	VGFHSGPMFRAPBJ-UXBLZVDNSA-N	242.274	3.364	0	1	BGAF	
COc1ccc2c(c1)[nH]c1c(C)nc(C)cc12	95890863	GXNDURPJXSLEMM-UHFFFAOYSA-N	226.279	3.342	0	1	BGAF	
Cc1sc2c(c1[C@@H]1C=CNC=N1)CCCC2	218949442	WARAMBTWLVENNZ-NSHDSACASA-N	232.352	3.122	0	1	BGAF	
CCCC/C=C\c1nc2cccnc2[nH]1	587965823	PPBWKYHXDWPHQJ-YVMONPNESA-N	201.273	3.161	0	1	BGAF	
Clc1cc2cn[nH]c2c(Nc2ccccc2)n1	1772619647	XREMNVJBFHCRDZ-UHFFFAOYSA-N	244.685	3.355	0	1	BGAF	
c1ccc2c(c1)c1c3n2-c2cc(on2)[C@H]3CCC1	1655163	VGLFNYFIVQFYAY-LLVKDONJSA-N	236.274	3.400	0	1	BGAF	
CC1(C)CC(=O)c2csc(-c3cc[nH]n3)c2C1	13520413	OTOFLRVSTDGXCY-UHFFFAOYSA-N	246.335	3.293	0	1	BGAF	
CCCCN(C(=O)C(C)C)c1nc(CC)co1	39246432	QVFYHILCQAVUJX-UHFFFAOYSA-N	238.331	3.026	0	1	BGAF	
CC(C)=CCc1ccc2c(CO)c[nH]c2c1	40977192	REUSNXPKHWKIMR-UHFFFAOYSA-N	215.296	3.169	0	1	BGAF	
c1ccc2c3c([nH]c2c1)-c1[nH]ccc1CC3	96922155	PZQQCZIHXXNAIX-UHFFFAOYSA-N	208.264	3.262	0	1	BGAF	
c1csc(CNC23C[C@H]4CC2C[C@@H](C4)C3)c1	100751816	NDQGLSWMMRANBN-IBQNZTRDSA-N	233.380	3.416	0	1	BGAF	
CCCC(CCC)NC(=O)c1ccc(OC)cc1	114431119	SVONUDLCQUTJQL-UHFFFAOYSA-N	249.354	3.394	0	1	BGAF	
Nc1oc2cnccc2c1Nc1cccc(F)c1	222977846	RDAVYNWFTYZCHG-UHFFFAOYSA-N	243.241	3.293	0	1	BGAF	
COc1ccc2nc(C(C)(C)Cl)[nH]c2c1	587007073	BDFIFYVVRILLHA-UHFFFAOYSA-N	224.691	3.045	0	1	BGAF	
C[C@@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)O1	3654484	CAHIYFYECGBERB-ZCFIWIBFSA-N	243.089	3.322	0	1	BGAF	
CCc1cc(CCc2ccccc2)c(=O)[nH]c1C	5887001	RWEXZYPUDQKVSX-UHFFFAOYSA-N	241.334	3.031	0	1	BGAF	
c1ccc2c(c1)[nH]c1c(-c3c[nH]cn3)nccc12	13587083	HUTBKGSJEGKJBG-UHFFFAOYSA-N	234.262	3.106	0	1	BGAF	
C[C@@H](CO)CCCC1=CC[C@H](C(C)(C)O)CC1	14490175	RTRSZZNEAVOVSG-OCCSQVGLSA-N	240.387	3.283	0	1	BGAF	biogenic
C[n+]1c2c(cc3ccccc31)Cc1ccccc1-2	28641734	DPAMQXQCGWVLLE-UHFFFAOYSA-N	232.306	3.236	0	1	BGAF	
CC(=O)[C@@H]1CC[C@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@H]12	14636515	ISENCPWAURCXQF-LXFSFDBISA-N	238.371	3.035	0	1	BGAF	biogenic
CC1=C[C@@H]2O[C@H]3CC[C@@](C)([C@@]2(C)CC1)[C@@]31CO1	15196642	LZAJKCZTKKKZNT-YYFQZIEXSA-N	234.339	3.069	0	1	BGAF	biogenic
CC[C@@H](C)c1ccccc1OC(=O)N(C)C	34343384	PZWLRNODVVRPMD-SNVBAGLBSA-N	221.300	3.261	0	1	BGAF	
CCc1cc2c(cc1CC)-c1n[nH]cc1CC2	40639872	RFTYQGPFGOCWPI-UHFFFAOYSA-N	226.323	3.300	0	1	BGAF	
O=C(Nc1ccccc1)[C@@H]1C[C@@H]2CC[C@@H]1C2	100748765	OYBGVILRANZFNU-NQBHXWOUSA-N	215.296	3.061	0	1	BGAF	
CCC(=O)OCC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	101143505	JWIVMIHVUHDBRA-SDDRHHMPSA-N	224.344	3.402	0	1	BGAF	
CC[C@H](O)c1nc2ccc(C(C)(C)C)cc2[nH]1	586901270	RWQSFIGBLNKLQC-LBPRGKRZSA-N	232.327	3.304	0	1	BGAF	
OCC[C@@H]1CCCCN1C1CCCCCCC1	221099	GFXOPXZOPZBCKA-HNNXBMFYSA-N	239.403	3.336	0	1	BGAF	
C=Cc1nc(C(=O)O)cc2c1[nH]c1ccccc12	14829566	ICWZJHDBAPKRIX-UHFFFAOYSA-N	238.246	3.057	0	1	BGAF	biogenic
COc1cc(=O)oc(C)c1/C=C/c1ccccc1	26637885	QLVHOCPWXWALTL-CMDGGOBGSA-N	242.274	3.127	0	1	BGAF	
CN1CCC[C@@H]1C12CC3CC(CC(C3)C1)C2	26984361	SWORWWUKPHSOQK-WRHSUISWSA-N	219.372	3.297	0	1	BGAF	
CCCCCc1oc2ccccc2c(=O)c1O	28875453	QBUBFCMBETVQHF-UHFFFAOYSA-N	232.279	3.231	0	1	BGAF	
CC[C@@H](C)[C@H]1N[C@H](C)S[C@H](C)S1	95620594	WONMKWKUDGYZEA-XGEHTFHBSA-N	205.392	3.120	0	1	BGAF	in-man
Cc1cccc(NC2=NC[C@@H](C)C2)c1C	143094715	NESACJFITBMFIA-VIFPVBQESA-N	202.301	3.154	0	1	BGAF	
CC(C)=CCC/C(C)=C/CSCC(=O)O	146494862	LVQFBSCMGBXDGN-YRNVUSSQSA-N	228.357	3.497	0	1	BGAF	
CC1=C2C=CC[C@@]2(C)C[C@H]2[C@@H](C1)OC(=O)[C@@H]2C	238778052	YRBWMPVNAOADAX-CVMIBZJCSA-N	232.323	3.241	0	1	BGAF	
C[C@H]1CC[C@H]2[C@@H]1[C@H]1C[C@H](O)[C@](C)(C1)C2(C)C	238779801	FJUSPHRLRVCESP-RQWGMIHLSA-N	222.372	3.466	0	1	BGAF	
Cc1[nH]c2ccc(F)c(Cl)c2c1-n1ccnc1	587631374	AEYGQDTUNZSXQE-UHFFFAOYSA-N	249.676	3.455	0	1	BGAF	
NC(=S)c1cc(-c2ccccc2)cs1	1857595504	XZABKLRZQFOZDB-UHFFFAOYSA-N	219.334	3.049	0	1	BGAF	
CCCCC(=O)N(CCCC)c1nc(C)co1	39246371	VOXDEQVFCVFBEM-UHFFFAOYSA-N	238.331	3.306	0	1	BGAF	
CCCCOc1ccc(-c2ccnn2C)cc1	13530224	DWBVBONATVNRGC-UHFFFAOYSA-N	230.311	3.266	0	1	BGAF	
CCC12C[C@H]3CC(N)(C[C@H](C1)c1ccccc13)O2	101926031	QQSCRIPRFNLCHS-RBAVJSINSA-N	243.350	3.275	0	1	BGAF	
CCOc1cccc2cc(C)c(C(C)=O)c(O)c12	169343683	XTBSQWUBBZNUAS-UHFFFAOYSA-N	244.290	3.455	0	1	BGAF	
O=C(O)/C(S)=C/c1cccc(Cl)c1Cl	216211677	RWXDFWWDERSXCL-DAXSKMNVSA-N	249.118	3.349	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2ccccc2[nH]1	586886711	CVAWBCZSCQMXLC-ZANVPECISA-N	200.285	3.467	0	1	BGAF	
CC1(C)O[C@@]2(C3CCCCC3)CC[C@H]1[C@@H](O)C2	2356374444	WCMQFUQUXLTMPK-YDHLFZDLSA-N	238.371	3.275	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@H](C)CC[C@H](O)[C@@H]2CC1=O	2356808171	YNPVPSSWCJNYOA-HYFYGGESSA-N	238.371	3.035	0	1	BGAF	
CCCCC[C@@H](O)c1cc2ccccc2c(=O)o1	61968996	YKXYGHCUPIYPMR-CYBMUJFWSA-N	246.306	3.407	0	3	BGAF	
CC1=CC[C@H](O)[C@@](C)(O)C=C[C@@H](C(C)C)CC1	2356534039	GHCUEDNOTXRLCD-KKUMJFAQSA-N	238.371	3.057	0	1	BGAF	
CC[C@@H](C)C=Cc1oc(=O)c(C)c(OC)c1C	2356714844	LEOSHPKVZGISFK-SECBINFHSA-N	236.311	3.325	0	1	BGAF	
Fc1cccc(C2=NO[C@H]3CCCC[C@@H]23)c1	95575569	PKWQJBJHZHZWHD-NEPJUHHUSA-N	219.259	3.119	0	1	BGAF	
N[C@H]1[C@H]2CC[C@H]1c1ccc(C(F)(F)F)cc1C2	100698579	WOHWQAPSLJHLKN-QILRFPOHSA-N	241.256	3.082	0	1	BGAF	
CC(=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1)CO	2356708104	DRUPYWVNTITDJV-CABCVRRESA-N	238.371	3.203	0	1	BGAF	
CC1=C2C(=O)O[C@H](c3ccco3)[C@]2(C)CCC1	2356735111	WPNOWVWMZUYEQO-TZMCWYRMSA-N	232.279	3.384	0	1	BGAF	
CC=C(C)C(=O)O[C@H]1[C@H]2CC=C(C)[C@H]1C2(C)C	2356752545	XBIYGXBPWHLVBE-UPJWGTAASA-N	234.339	3.487	0	1	BGAF	
COc1ccc2ncc(-c3ccncc3)cc2c1	3832253	BGNDYXHAEMNSOM-UHFFFAOYSA-N	236.274	3.305	0	1	BGAF	in-vivo
CO[C@@H](c1c[nH]cn1)c1cccc2ccccc12	13737890	GHEFQYDQTKMXST-OAHLLOKOSA-N	238.290	3.299	0	1	BGAF	
CN[C@@H](Cc1ccccc1N)c1ccc(C)s1	13738491	MUZDTHXTSXTYCK-ZDUSSCGKSA-N	246.379	3.142	0	1	BGAF	
CCOC(=O)/C=C\Oc1cccc2ccccc12	49803814	YYXGWCPKPUNWKB-KHPPLWFESA-N	242.274	3.295	0	1	BGAF	
CC(C)(C)OC(=O)c1coc(-c2ccccc2)n1	95562077	RXNYHIMGJLOOHQ-UHFFFAOYSA-N	245.278	3.297	0	1	BGAF	
C[C@@H]1CCC(Nc2ccc3c(c2)CCC3)=N1	142979341	NZAREFBSJPPBIE-SNVBAGLBSA-N	214.312	3.168	0	1	BGAF	
CC1=CC[C@@H]2[C@@H]3[C@@H]1OC(=O)[C@H](C)[C@@H]3CC[C@H]2C	146120837	VCBQFQQHNFVJQI-VUASIYQVSA-N	234.339	3.176	0	1	BGAF	
Cc1cc(O)c(CCC2CCCCC2)c(=O)o1	1857748895	CVTCKZUJLBZMSA-UHFFFAOYSA-N	236.311	3.167	0	1	BGAF	
Cc1ccc(N2N=NC[C@H]2c2cccnc2)cc1	26167886	DVXPDPBTOLFOBW-AWEZNQCLSA-N	238.294	3.319	0	1	BGAF	
C[C@]12CN[C@@H](Cc3ccccc31)c1ccccc12	100739963	IIZBAWRPFWPBHJ-IRXDYDNUSA-N	235.330	3.193	0	1	BGAF	
CCC[C@@H](C)c1cc(OC(=O)N(C)CC)no1	299869082	TZNSSHFCYGINGF-SECBINFHSA-N	240.303	3.029	0	1	BGAF	
CC1(C)CCCC2=CC[C@](C)(O)[C@@H](O)C[C@@]21C	2356566225	CNBXXCQPWFOWPO-QEJZJMRPSA-N	238.371	3.035	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@@H]3C	15207313	WCKUJGKZDWKKKF-MPXAEWJHSA-N	234.339	3.465	0	1	BGAF	biogenic
Oc1nc2cscc2c(O)c1-c1ccccc1	100061416	CGXIBTQEEPUSQA-UHFFFAOYSA-N	243.287	3.375	0	1	BGAF	
C=Cc1ccc(-c2nc3ncc(F)cc3[nH]2)cc1	586880876	HYPPTUWFXQVPKX-UHFFFAOYSA-N	239.253	3.407	0	1	BGAF	
CC(=O)[C@@H](C)c1cc2c3c(cccc3n1)CC2	587213470	IRLIBLZBWGZBAH-SECBINFHSA-N	225.291	3.026	0	1	BGAF	
CC1=C[C@@H](COC(=O)C(C)C)C(C)(C)[C@H]1C	2356516676	GBPIVQULIDDYBQ-RYUDHWBXSA-N	224.344	3.424	0	1	BGAF	
Cc1cc2c(o1)c(C)cc1c(C)cc(=O)oc12	28756905	QZOAPTQNJLZENV-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
CC1=C(Cc2ncc[nH]2)CCc2ccccc21	29245188	ZDEZZEXVRHVGGC-UHFFFAOYSA-N	224.307	3.372	0	1	BGAF	
COc1ccc(CN2CCC(C)=C[C@H]2C)cc1	95784904	MKBAAIHLTYAMIQ-CYBMUJFWSA-N	231.339	3.236	0	1	BGAF	
CCCC1(c2nc3cc(F)cnc3[nH]2)CCC1	586877850	SCNYEENTYBMZTE-UHFFFAOYSA-N	233.290	3.319	0	1	BGAF	
CC[C@@H]1OCCC[C@H]1c1nc2cccc(F)c2[nH]1	586909930	GCBRPVHZGXNRLA-SKDRFNHKSA-N	248.301	3.375	0	1	BGAF	
Cc1c(C)c2c(c3c1CC(=O)N3)[C@@H](C)C[C@@H]2C	2356830143	JESVLNYUKFKGLJ-YUMQZZPRSA-N	229.323	3.409	0	1	BGAF	
C/C1=C\CC/C(CO)=C\[C@H](O)C/C(C)=C/CC1	32303214	RCJTUBLQPQRESN-FJOWFKQPSA-N	236.355	3.123	0	1	BGAF	
O[C@@H](Cc1ccccc1)c1nc2ccccc2o1	103289146	HJVDFQQZXWNZQV-ZDUSSCGKSA-N	239.274	3.104	0	1	BGAF	
Cc1cc(C)c2[nH]c(-c3csc(O)n3)nc2c1	587018298	VLTQLTKPBZBTQG-UHFFFAOYSA-N	245.307	3.009	0	1	BGAF	
CCCN(CCC)C[C@@H]1Cc2cccc(O)c2C1	27433820	XKQGSYJVPVXRRN-CYBMUJFWSA-N	247.382	3.229	0	1	BGAF	
C[C@@]12c3ccccc3C[C@H](c3ccccc31)N2O	100649278	SOZAUWGJIRNSOQ-HZPDHXFCSA-N	237.302	3.252	0	1	BGAF	
Clc1cc2c(cc1Cl)[C@@H]1CNC[C@@H]2C1	101028126	GEHALLNGWXVLBW-BQBZGAKWSA-N	228.122	3.168	0	1	BGAF	
CN1[C@H]2CC[C@@H](Cc3ccccc3)[C@H]1CC2	169352661	QVIWWIYJPCZLQR-SOUVJXGZSA-N	215.340	3.102	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cccc(C(=O)O)c2[nH]1	586886703	CTSUALZCLJIANG-XPTSAGLGSA-N	244.294	3.165	0	1	BGAF	
Cc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1F	586900620	HWYTUMOXNOLAKA-LBPRGKRZSA-N	236.290	3.090	0	1	BGAF	
CC[C@@H](C)c1ccc2[nH]c(C)c(C(N)=O)c2c1	587642737	ONFJMZGESYTMQH-MRVPVSSYSA-N	230.311	3.089	0	1	BGAF	
CC=CC=CCCCCC(=O)NCC(C)C	2356474442	RUZPYFCFWHFTJY-UHFFFAOYSA-N	223.360	3.451	0	1	BGAF	
Oc1ccc2occ([C@H](O)c3cccs3)c2c1	1436926	WUJVGCAUIUFNAX-ZDUSSCGKSA-N	246.287	3.282	0	1	BGAF	
CC(C)=CCC[C@@]1(C)O[C@]2(C)CC[C@H]1C[C@H]2O	13377722	YXKYEDPZIRLAKN-GBJTYRQASA-N	238.371	3.441	0	1	BGAF	in-man
Cc1sc(C)c2c1CCCc1cn(C)nc1-2	13537816	JTAHZZXPELHTSL-UHFFFAOYSA-N	232.352	3.254	0	1	BGAF	
FC[C@H](F)CCc1c[nH]c2ccccc12	473151234	OLFNURHNSVBTMV-SNVBAGLBSA-N	209.239	3.408	0	1	BGAF	
Cc1cc(-c2ccc(F)cc2)cc(C(=O)O)c1O	165849550	PXQNHLSBUFXIRN-UHFFFAOYSA-N	246.237	3.205	0	1	BGAF	
CC/C=C/C=C/C=C\C[C@H](OC)[C@H](C)NC	238780472	OZYMABBRNUUXQX-FYIHDBBOSA-N	223.360	3.078	0	1	BGAF	
O=C1C[C@@H](c2ccoc2)Nc2ccccc21	1857651317	BPXBNNUVUBDPNP-LBPRGKRZSA-N	213.236	3.019	0	1	BGAF	
CC(=CC[C@@H]1N[C@@H](c2ccoc2)CC[C@@H]1C)CO	2356404695	VACAXMGPQVSASV-AEGPPILISA-N	249.354	3.038	0	1	BGAF	
CN1CCCc2nc(-c3ccccc3)ccc21	199726453	OEWUSYVZPZKCNP-UHFFFAOYSA-N	224.307	3.131	0	3	BGAF	
Cc1ccccc1-n1cnc2ccccc21	13782595	INTQXBADEIVKGD-UHFFFAOYSA-N	208.264	3.334	0	1	BGAF	
COc1cccc(Cc2c[nH]c3ncccc23)c1	24971421	GHQCCHWTDLTMJT-UHFFFAOYSA-N	238.290	3.162	0	1	BGAF	in-vivo
C[C@H]1CCC[C@@]2(C)CC[C@@H](C(C)(C)O)C[C@]12O	85757388	DUMZYTYPNQNWMU-NEBZKDRISA-N	240.387	3.115	0	1	BGAF	
CC1=C[C@H](O)[C@H]2[C@H]3[C@H]1[C@@]2(C)CC[C@@H]3C(C)C	102945426	LTXWSWWXNHYXCW-BYGOPZEFSA-N	220.356	3.242	0	1	BGAF	
C/C=C(/C)C(=O)OC[C@@H](C)c1ccc(C)cc1O	238757810	NTUZUIFNUGZVQN-DKRCXCIFSA-N	248.322	3.314	0	1	BGAF	
CCCC/C=C/c1nc2c(Cl)ncnc2[nH]1	587965235	INSSFJOKTOMMFH-AATRIKPKSA-N	236.706	3.210	0	1	BGAF	
CC1(C)CCC[C@]2(C)CCOC(=O)C[C@@H]12	14616548	CMIIIOPFYNCZPR-GXFFZTMASA-N	210.317	3.156	0	1	BGAF	biogenic
CCCCC[C@H]1C(=O)CC[C@@H]1CCCC(=O)O	14619967	MQWNXLZVXAQZES-NWDGAFQWSA-N	240.343	3.417	0	1	BGAF	biogenic
Cc1c(-c2cnccn2)[nH]c2cccc(F)c12	587637274	ZKRQPHLWRFJIED-UHFFFAOYSA-N	227.242	3.072	0	1	BGAF	
CSc1nnc(-c2cc3cc(F)ccc3[nH]2)o1	618011824	ZDSBQRWUOAGGOU-UHFFFAOYSA-N	249.270	3.079	0	1	BGAF	
O=c1oc(Cl)ccc1CC1CCCCC1	13528638	BOMYAGCPXBZTRL-UHFFFAOYSA-N	226.703	3.416	0	1	BGAF	
C[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	14583994	YOZGACBWDKFAAD-ZUZCIYMTSA-N	238.334	3.058	0	1	BGAF	biogenic
Oc1ccc(-c2nc3ccccc3o2)cc1F	28964556	YQJYYLWDKKWXOJ-UHFFFAOYSA-N	229.210	3.340	0	1	BGAF	
CC(=O)OCCc1ccc(OCC=C(C)C)cc1	36449882	FBZRYCBQRHKYRY-UHFFFAOYSA-N	248.322	3.137	0	1	BGAF	
Cc1cc2cc3c(C)coc3cc2oc1=O	49017773	NHMPUDLBERNPNM-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
N[C@H]1[C@@H]2CC[C@@H]1c1cccc(C(F)(F)F)c1C2	100698490	GVBOIVFALSGRQZ-GMEUVTARSA-N	241.256	3.082	0	1	BGAF	
CSc1ccc2nc(C3=COCC3)[nH]c2c1	586913682	SSAIATHWDWQUSG-UHFFFAOYSA-N	232.308	3.046	0	1	BGAF	
C[C@@H]1Cc2nc3cccc4c3c(c2C1)CC4	587215575	QLVHFHRMZCNTEJ-VIFPVBQESA-N	209.292	3.068	0	1	BGAF	
C[C]1C=CN(CC(=O)c2ccc(C)cc2)C=C1	2356816011	OPDQDJKYTXBEPO-UHFFFAOYSA-N	226.299	3.115	0	1	BGAF	
O=C1C[C@@H]2CCC[C@@](OCc3ccccc3)(C1)C2	100797953	RMLUYNRWKNCELN-HOCLYGCPSA-N	244.334	3.495	0	1	BGAF	
N[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(c1ccccc1)C3	169300071	IELSRSCLRGXCFP-PRAKJRAUSA-N	227.351	3.092	0	1	BGAF	
Clc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2n1	587966220	BNQNOMKRYCVDBJ-DJLDLDEBSA-N	245.713	3.291	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)CCCC(CO)=C2C1	2356404641	STQLSAZYTMFDFX-DOMZBBRYSA-N	238.371	3.037	0	1	BGAF	
CCC=CC[C@@H]1C(=O)CC[C@@H]1CCCC(=O)O	2356441256	LVQJNKFFJNUFNY-RYUDHWBXSA-N	238.327	3.193	0	1	BGAF	
CC(C)[C@@H]1CC[C@H](C)[C@]23CC(CO)=C[C@@H]2[C@@H]13	2356643772	FETRHPNVBWGLFA-VNUKXSOBSA-N	220.356	3.243	0	1	BGAF	
CC(=O)N1c2ccccc2[C@@H]2CCCC[C@H]21	36387576	RLNAYUXUSMJJAO-GXTWGEPZSA-N	215.296	3.079	0	3	BGAF	
O=C1CC[C@@H]2CCc3cccc4oc1c2c34	1617843	RYMIWDUWKDQNBA-VIFPVBQESA-N	212.248	3.439	0	1	BGAF	
CON1C(=O)c2ccccc2Oc2ccccc21	6483142	ZHECVBNZLMGZNA-UHFFFAOYSA-N	241.246	3.001	0	1	BGAF	
CC[C@@H](C)CCCCC1=C[C@@H](C)OC1=O	14592368	WNNWZLRNFSNZOJ-GHMZBOCLSA-N	210.317	3.465	0	1	BGAF	biogenic
C[C@H]1CCC=C2CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@]21C	15201105	PDQLBZJQPLHGHY-UBIZHFCBSA-N	234.339	3.321	0	1	BGAF	
O=C(Nc1nccs1)[C@H]1[C@H]2/C=C/CCCC[C@H]21	32699832	QVRUJMJSJXRQQT-YGLDOVHESA-N	248.351	3.074	0	1	BGAF	
O=C(O)CCCCCCCCCn1ccnc1	39296093	DOJPUPKORVKCJK-UHFFFAOYSA-N	238.331	3.089	0	1	BGAF	in-vitro
O=C1C[C@H](C2CC2)Oc2c1ccc1c2CCCC1	587523330	HUAHMLADSFEMEL-OAHLLOKOSA-N	242.318	3.309	0	1	BGAF	
CC1(C)C[C@H](O)C[C@@]2(C[C@H](O)CC(C)(C)C2)C1	2356538036	PHWSYPIHTRRUNC-TYNCELHUSA-N	240.387	3.115	0	1	BGAF	
C1=C2C3=[N+](CCCCC3)C[C@H]2Cc2ccsc21	1656756	HNXLSOPCCOAWEQ-GFCCVEGCSA-N	244.383	3.345	0	1	BGAF	
COc1ccc([C@@H]2C3CCC(CC3)[C@@H]2CN)cc1	13795138	UHORERNNJNTEOU-INCPQMAJSA-N	245.366	3.174	0	1	BGAF	
O=C1O[C@H](c2ccccc2)CN1c1ccccc1	14652024	WDQBSTXNKZZKTB-AWEZNQCLSA-N	239.274	3.385	0	1	BGAF	biogenic
C=Cc1c(OC)cc2occc2c1OC	15118725	DJTVRBJOMCDZFQ-UHFFFAOYSA-N	204.225	3.093	0	1	BGAF	biogenic
Clc1ccc(C2[C@H]3CC[C@H]2CNC3)cc1	100786352	DQTXEZQCBHGHHZ-QWRGUYRKSA-N	221.731	3.053	0	1	BGAF	
CCSc1ccccc1N(CC)C(C)=O	1772570878	NQPSPJAXMZZQTP-UHFFFAOYSA-N	223.341	3.171	0	1	BGAF	
C1C[C@H]2CC[C@H]3CCC[C@@]24[C@@H]3CCCN4C1	2356348024	WEUSZYFSAZZUMH-BARDWOONSA-N	219.372	3.441	0	1	BGAF	
c1ccc(-c2cc(-c3ccco3)ccn2)nc1	28762537	FVSHMPYQHOCICT-UHFFFAOYSA-N	222.247	3.404	0	1	BGAF	
CC1=CC[C@@]23C[C@@H]1C(C)(C)[C@@H]2CC[C@H]3CO	95910050	SNPNUENVUPIHQQ-ABHRYQDASA-N	220.356	3.387	0	1	BGAF	biogenic,in-vitro
C[C@@H](F)[C@H](N)c1nc2cccc(C(C)(C)C)c2[nH]1	587125272	RYSRCPZWTYBAOT-KCJUWKMLSA-N	249.333	3.218	0	1	BGAF	
CC[C@]1(C2CC2)CC(=O)c2cc(C)cc(N)c2O1	587406795	VKAVGAWHGNXOGW-OAHLLOKOSA-N	245.322	3.101	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@@H](O)C[C@]2(C)C1	2356532262	VGSLLDHUYDRUSE-GBOPCIDUSA-N	240.387	3.115	0	1	BGAF	
CCCCC=CC=CC=C[C@@H]1CC[C@H](O)[C@H](C)N1	2356586114	LSCWHIBYDGDOLC-XHSDSOJGSA-N	249.398	3.347	0	1	BGAF	
CC1=C(c2ccccc2)SC2=NCCCN21	384827	MHVCXQFODQDVEC-UHFFFAOYSA-N	230.336	3.184	0	1	BGAF	
C[C@]12N[C@H](Cc3ccccc31)C1=CCCC[C@H]12	3795418	JYBXPDFRCAEGKO-OAGGEKHMSA-N	225.335	3.156	0	1	BGAF	
CC1=CC(=O)[C@@]23[C@@H]([C@@H](C(C)C)CC[C@H]2C)[C@H]13	14947768	OZMQICPXNIVENO-MFHWUAJNSA-N	218.340	3.450	0	1	BGAF	biogenic
C[C@@H](C(=O)c1ccc(O)cc1)c1ccc(O)cc1	45291670	VSNHCJJEKIJDBF-SNVBAGLBSA-N	242.274	3.084	0	1	BGAF	
COC(OC)c1nccc2c1[nH]c1ccccc12	95556914	GTZVZQWSFVEOTI-UHFFFAOYSA-N	242.278	3.008	0	1	BGAF	
Fc1ccc(CNC23C[C@H]4CC2C[C@@H](C4)C3)cc1	101513150	BVRAEKLZOJPYNK-NOZYUVCASA-N	245.341	3.494	0	1	BGAF	
Fc1c(F)c(F)c2[nH]c(C3CCC3)nc2c1F	586883522	DSUDHZATUQCDFS-UHFFFAOYSA-N	244.191	3.387	0	1	BGAF	
CC=C[C@@H]1C[C@H](OC(C)=O)c2cc(C)ccc2O1	2356696819	UJBLFMCIUSMFDE-DOMZBBRYSA-N	246.306	3.326	0	1	BGAF	
CSc1ccc(-c2cccc3nncn23)cc1	61930121	BOKYAABAPJPSQY-UHFFFAOYSA-N	241.319	3.118	0	3	BGAF	
CCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1	13832990	UOXGEFGTAJRBRM-SWLSCSKDSA-N	233.355	3.012	0	1	BGAF	
C[C@@H]1C[C@]23CCCN4CCC[C@@H](C(=O)CC2)[C@@]43C1	31350160	RVZXICZITJIXKD-BFJAYTPKSA-N	247.382	3.010	0	1	BGAF	in-vitro
CC(=O)CC[C@H](/C=C/C(C)=C/C(=O)O)C(C)C	238750208	HJFLPJGTEMSBHS-WTNXXDPYSA-N	238.327	3.215	0	1	BGAF	
Cc1ccc2oc(=O)c(-c3cccnc3)cc2c1	653754363	ZGNNKZMTHVGSGY-UHFFFAOYSA-N	237.258	3.163	0	1	BGAF	
CC=C(C)c1ccc(CCCC)c(=O)o1	2356452907	HPIMXIONNKAVCT-UHFFFAOYSA-N	206.285	3.406	0	1	BGAF	
c1ccc(-c2ccc3c(n2)CCCO3)cc1	15974654	VSPNEBKSSDLUQM-UHFFFAOYSA-N	211.264	3.074	0	3	BGAF	
CC(=O)N1c2ccccc2[C@H]2CCCC[C@H]21	36387575	RLNAYUXUSMJJAO-TZMCWYRMSA-N	215.296	3.079	0	3	BGAF	
Cc1[nH]nc2c1CCC[C@H]1c3ccccc3N[C@H]21	40891954	PWTTWLQRFVOJIZ-JSGCOSHPSA-N	239.322	3.305	0	1	BGAF	
CCC[C@]12CCN(C)[C@@H](Cc3ccc(O)cc31)C2	100824805	DCCDZLIMIHPDIQ-XJKSGUPXSA-N	245.366	3.080	0	1	BGAF	
COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)C[C@H]1c1ccccc1	261091937	DRIXPIWDZOXGSL-CYUUQNCZSA-N	244.334	3.379	0	1	BGAF	
Cc1cc2[nH]c(C(C)(C)Cl)nc2c(C)n1	587009105	VJVXLAIQVAKKEH-UHFFFAOYSA-N	223.707	3.049	0	1	BGAF	
CC1=C[C@H](O)[C@H]([C@@H](C)CCC[C@@H](C)CO)CC1	13377652	GEEPKSLYIJDCEN-QPSCCSFWSA-N	240.387	3.138	0	1	BGAF	biogenic
C[C@@H]1CCC[C@@H]2CCN[C@@H](C2)c2cccnc2C1	14441937	XXFUPXULZIGGDJ-IOASZLSFSA-N	244.382	3.485	0	1	BGAF	
CCN(CC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C	27712750	XKZQXMVNPWYVCJ-SWLSCSKDSA-N	247.382	3.455	0	1	BGAF	
O=C1Cc2cc(Cl)c(-c3ccccc3)cc2O1	29249209	KZLOXVFYEHCEGC-UHFFFAOYSA-N	244.677	3.469	0	1	BGAF	
CC(C)=CCOc1cc2ccccc2oc1=O	84733884	CVBKWIWUOWPXGY-UHFFFAOYSA-N	230.263	3.138	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@H]1c1cccc(C(F)(F)F)c1C2	100820656	GVBOIVFALSGRQZ-QOSJWCAFSA-N	241.256	3.082	0	1	BGAF	
C/C=C\C=C/C=C/C=C/C(=O)N1C=CCCC1	238760277	JLBTYPJRECBOEI-QGMDOSQUSA-N	229.323	3.367	0	1	BGAF	
C/C(=C\C=C\C(C)(C)O)[C@@H]1CC[C@@H](C)C[C@H]1O	299831152	XYTFMUAQHXLEAY-DYSXFVLWSA-N	238.371	3.057	0	1	BGAF	
Clc1cc2nc(C3=CCCC3)[nH]c2cn1	586883136	HLVZCWKNETUGFS-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
Nc1ccc(-c2cc3cc(O)ccc3o2)cc1	13686340	JDGXRZSZWVUFMN-UHFFFAOYSA-N	225.247	3.388	0	1	BGAF	in-vivo
C[C@H]1C[C@H]2C[C@](c3cccc(O)c3)(CCN2C)C1	96910730	HHPPZOGBCDGYKB-NOLJZWGESA-N	245.366	3.154	0	1	BGAF	
CCC(=O)OCCC1=CC[C@H]2C[C@H]1C2(C)C	101141875	UHQXDKLOMGZPJS-NWDGAFQWSA-N	222.328	3.322	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(C)cnc2[nH]1	586887263	FWFDUGOGAXFRTC-NOZJJQNGSA-N	215.300	3.170	0	1	BGAF	
Cc1c(-c2c[nH]ccc2=N)[nH]c2cc(F)ccc12	587635452	IDNNJHJDKMZZQG-UHFFFAOYSA-N	241.269	3.090	0	1	BGAF	
C=CC=CCCCCCCC[C@H](O)[C@@H](C)N	2356524070	PDPUNMLGRNINFK-KGLIPLIRSA-N	225.376	3.167	0	1	BGAF	
CC1=C[C](N)N(Cc2ccc(Cl)cc2)C=C1	2356820189	KSLDGALIKQSUDY-UHFFFAOYSA-N	233.722	3.064	0	1	BGAF	
CC1(C)CCC[C@@]2(C)CC(=O)C[C@](C)(O)C[C@H]12	14442619	SZYNCHLMEWFVDG-SNPRPXQTSA-N	238.371	3.323	0	1	BGAF	biogenic
CC1=C[C@@H]2OC(=O)C(C)=C3CC[C@](C)(CC1)[C@H]32	15273786	DGKFETRFKMWAAU-GUTXKFCHSA-N	232.323	3.385	0	1	BGAF	biogenic
CC=C=CCN(C)[C@@H](C)Cc1ccccc1	29340777	MXAOUSZTGFDNKC-JRFFMEPESA-N	215.340	3.281	0	1	BGAF	
N[C@@H]1[C@@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc1C2	100698566	RBCLHKCRXOPGGK-HLUHBDAQSA-N	241.256	3.082	0	1	BGAF	
O=C1C[C@H]2CCC[C@](Oc3ccccc3)(C1)C2	100799898	JWXBVUDFFBNKCE-IUODEOHRSA-N	230.307	3.357	0	1	BGAF	
CCO[C@H]1C[C@H]2C[C@H](C3CCCCC3)O[C@H]2O1	103293551	ZFJLUPAQLYBAAP-SYQHCUMBSA-N	240.343	3.081	0	1	BGAF	
c1ccc2[nH]c(-c3occ4c3CCC4)nc2c1	586905324	KWOAXLOHEDJOIK-UHFFFAOYSA-N	224.263	3.312	0	1	BGAF	
Cc1cc(C)c2[nH]c([C@H](C(C)C)N(C)C)nc2c1	587198174	ADZTYIKBVXIEGH-AWEZNQCLSA-N	245.370	3.438	0	1	BGAF	
CC(=O)C(C)(C)c1cc2c3c(cccc3n1)CC2	587214191	NFLDSGOXNPMZRM-UHFFFAOYSA-N	239.318	3.200	0	1	BGAF	
CC1=C[C@@]23CC(C)(C)C[C@@]2(O)[C@@H](C)CC[C@H]1O3	2356756522	KTUDICJUCCREHW-CTHBEMJXSA-N	236.355	3.051	0	1	BGAF	
C[C@H]1Nc2sccc2C(=O)N1c1ccccc1	984467	IPPCFAZRTMNEFO-VIFPVBQESA-N	244.319	3.166	0	1	BGAF	
NC(=O)c1cccc2ccc(-c3ccccc3)nc12	3939668	BNQJEMTZUOVMLM-UHFFFAOYSA-N	248.285	3.001	0	1	BGAF	in-vivo
CC1=C2CC3=C(C)C(=O)O[C@H]3C[C@@H](C)[C@@H]2CC1	5834732	GJFWUKNHFPKSRX-PUYPPJJSSA-N	232.323	3.385	0	1	BGAF	
CC1=C[C@H]2O[C@]3(CO)CCC[C@@]3(C)[C@@]2(C)CC1	14854737	JFZZTCKYMWJCGK-QPSCCSFWSA-N	236.355	3.053	0	1	BGAF	endogenous,in-man
Fc1ccc(-n2nncc2-c2ccccc2)cc1	26170446	FTRPGKQADBFITM-UHFFFAOYSA-N	239.253	3.073	0	1	BGAF	
C[C@H]1CCC=C2CC[C@H]3[C@H](OC(=O)[C@@H]3C)[C@@]21C	32296240	PDQLBZJQPLHGHY-WXCPYFSPSA-N	234.339	3.321	0	1	BGAF	biogenic,in-vitro
COc1ccccc1/C=C/c1ccncc1	59994828	RWIJIENCAMTYGA-VOTSOKGWSA-N	211.264	3.261	0	1	BGAF	
CC1=C2C[C@]3(C)[C@H](C)CCC[C@@H]3C[C@H]2OC1=O	898512	AEQDXSFIHGWHDV-ZTYOMDHBSA-N	234.339	3.465	0	1	BGAF	biogenic
Cc1ccccc1C1=CC=[N+](C2CC2)CC1	27193156	DGIMOPRHDRPRRH-UHFFFAOYSA-N	212.316	3.028	0	1	BGAF	
C=C/C=C/CCCCCCC[C@H](O)[C@@H](C)N	34360986	PDPUNMLGRNINFK-WEHDMVHDSA-N	225.376	3.167	0	1	BGAF	
CN(c1ccnc2[nH]ccc12)C1CCCCC1	90502107	LZVJQERPUUYPSB-UHFFFAOYSA-N	229.327	3.332	0	1	BGAF	
C[C@@]12Cc3ccccc3[C@H](Cc3ccccc31)N2	100649363	NNXPKCPZLCDCRQ-DLBZAZTESA-N	235.330	3.345	0	1	BGAF	
C[C@@H]1CC=C2[C@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	238746828	RMMXVRYYNCFLLS-VWKSAYTASA-N	220.356	3.386	0	1	BGAF	
CC(C)CCC[C@@]1(C)[C@@H]2C[C@H]1[C@@H](C)C(=O)[C@H]2O	238758772	GGBGXIKWVMQRID-FMKNKJFCSA-N	238.371	3.035	0	1	BGAF	
CC=C(C)C(=O)OCC=Cc1ccc(OC)cc1	2356521204	MZKARNAOCAPDSD-UHFFFAOYSA-N	246.306	3.218	0	1	BGAF	
CC1=CCC(=O)[C@H](C)CC[C@@H](C(C)(C)O)CC1	2356753210	DWMJDYZSFOSGLA-OLZOCXBDSA-N	238.371	3.489	0	1	BGAF	
c1ccc2c(c1)CCC[C@@]21NCc2ccccc21	27637142	YQBMTJBKELFMDV-QGZVFWFLSA-N	235.330	3.370	0	1	BGAF	
C[C@]1(O)CC[C@H]2[C@H]3CCCC=C3C=C[C@@]21C	27708583	ILJJWXMZGGKVML-AJNGGQMLSA-N	218.340	3.450	0	1	BGAF	
CNc1ccc(-c2cc3ccc(O)cc3o2)cn1	49036235	PXQDZDPBVYBACM-UHFFFAOYSA-N	240.262	3.242	0	1	BGAF	
CC1CCN(CCc2cc3ccccc3[nH]2)CC1	72116319	IYTDJFCDFCKMGJ-UHFFFAOYSA-N	242.366	3.442	0	1	BGAF	
CNCC[C@H]1CC(C)(C)Oc2ccc(C)cc21	299849379	ABKYENZLUKNRQT-LBPRGKRZSA-N	233.355	3.249	0	1	BGAF	
CC[C@H]1Cc2c(nc3cccc4c3c2CC4)C1=O	587212454	AGQQONVLPUQHPQ-VIFPVBQESA-N	237.302	3.098	0	1	BGAF	
Clc1cccc2ccc(C[C@H]3CN=CN3)cc12	13862087	LICJPBUGTHDADI-LBPRGKRZSA-N	244.725	3.036	0	1	BGAF	
CC1(C)CCC[C@@]2(C)CC(=O)C[C@](C)(O)C[C@@H]12	14442623	SZYNCHLMEWFVDG-QEJZJMRPSA-N	238.371	3.323	0	1	BGAF	biogenic
Oc1ccc(-c2cnc3cc(O)ccc3c2)cc1	28865991	TYKCQEMDVRHEIA-UHFFFAOYSA-N	237.258	3.313	0	1	BGAF	
Cc1[nH]nc2c1CCC[C@@H]1c3ccccc3N[C@H]21	40891957	PWTTWLQRFVOJIZ-OCCSQVGLSA-N	239.322	3.305	0	1	BGAF	
CCCC[C@H]1NCCc2cc(O)c(Cl)cc21	45262026	UCHLMHDIBLECGN-GFCCVEGCSA-N	239.746	3.423	0	1	BGAF	
COC(=O)c1ccc2[nH]c3ccc(C)cc3c2c1	53314398	VBLCEXYIQKRCAB-UHFFFAOYSA-N	239.274	3.416	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(CCO)cc2[nH]1	586892124	UHQRUHXSJQQCSR-ABAIWWIYSA-N	244.338	3.001	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(CCO)cc2[nH]1	586892139	UHQRUHXSJQQCSR-XHDPSFHLSA-N	244.338	3.001	0	1	BGAF	
CC=C[C@H]1C[C@H](OC(C)=O)c2cc(C)ccc2O1	2356696822	UJBLFMCIUSMFDE-WFASDCNBSA-N	246.306	3.326	0	1	BGAF	
C/C=C\C=C/C=C\C=C/C(=O)N1C=CCCC1	45097234	JLBTYPJRECBOEI-DXGQULQWSA-N	229.323	3.367	0	1	BGAF	
Cc1ccc2c(c1)/C(=C/C(C)C)C=C2CO	169328356	RYMVRCNUFQDGOQ-WUXMJOGZSA-N	214.308	3.424	0	1	BGAF	
C[C@@H]1C[C@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	195052115	RWJVTTDOGFCAJS-KOZAUXTDSA-N	229.367	3.229	0	1	BGAF	
Cc1coc(-c2cc3c4c(cccc4n2)CC3)n1	587211394	DOLPRUKLQBOYFF-UHFFFAOYSA-N	236.274	3.297	0	1	BGAF	
CC(C)[C@H]1CC(=O)[C@@H](C)[C@@]12CC[C@@H](C)C(=O)C2	2356650602	LAEJTNRXQGCKMM-BLTAXRJOSA-N	236.355	3.243	0	1	BGAF	
CO[C@@H]1[C@@H](C)CC[C@H]2C(C)=C3CCC[C@]21O3	2356708350	MFNGWXIGBXGRPT-VMXABPDPSA-N	222.328	3.274	0	1	BGAF	
CCc1nc([C@H](C)c2c[nH]cn2)c(CC)s1	13802741	CCHUDGDIMFXMNF-MRVPVSSYSA-N	235.356	3.143	0	1	BGAF	
C/C(=C/CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C)C(=O)O	33833600	NZSCHTYUGUVLHG-JJPBTPHUSA-N	234.339	3.480	0	1	BGAF	biogenic,in-vitro
CC[C@@H](C)Nc1ccc(N(C)CC)cc1	71789434	ZDGSZMZCSNWAFY-LLVKDONJSA-N	206.333	3.353	0	1	BGAF	
CC1=C2C[C@]3(C)[C@@H](C)CCC[C@@H]3C[C@H]2NC1=O	85725465	QUWSNKVMOSZWAM-AGNJHWRGSA-N	233.355	3.038	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCC(C)C)O2	587404938	HTNZMHBKJVBBKQ-LLVKDONJSA-N	247.338	3.347	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1C=C[C@@](O)(CO)CC1	2356483613	QRDXWQFHSPWYOD-KKUMJFAQSA-N	238.371	3.059	0	1	BGAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]1(C)O[C@@]2(C)CCC1=O	100067583	PPGUUDJMTMGALC-HKCMKHECSA-N	236.355	3.339	0	3	BGAF	in-vitro
CC(C)=C[C@]1(O)C[C@H](C)C[C@@H]1C(=O)c1ccoc1	13415115	DIKCWVMLDIFAOQ-KYOSRNDESA-N	248.322	3.206	0	1	BGAF	biogenic
CC1=CC[C@]2(C)C(=C(C)C(=O)[C@@H](O)[C@H]2C)CC1	14649728	FUPXAIKSURJKNB-UGFHNGPFSA-N	234.339	3.019	0	1	BGAF	biogenic
CC1=CC=C[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	15208003	MUUFCNJBWLIDFJ-KCQAQPDRSA-N	230.307	3.161	0	1	BGAF	biogenic
Clc1cc2c(cc1Cl)[C@@H]1CNC[C@H]2C1	28527340	GEHALLNGWXVLBW-KNVOCYPGSA-N	228.122	3.168	0	1	BGAF	
CCOC(=O)/C=C/c1c(C)oc2ccc(O)cc12	40378976	KMRNCEAZTRYYNM-FNORWQNLSA-N	246.262	3.023	0	1	BGAF	
CO/C(O)=C1/C(C)=NCC[C@@H]1c1ccccc1F	100030408	BKKPCWNRCUSTPP-LYZGCBJASA-N	249.285	3.190	0	1	BGAF	
COC(=O)[C@H]1[C@H](/C=C\c2ccccc2)C1(C)C	103193858	VIMNPLWHPFATBD-GWJJPBGRSA-N	230.307	3.145	0	1	BGAF	
CN1[C@H]2CC[C@H]1[C@H](c1ccc(Cl)cc1)C2	253644124	GIBMVDGLFWHJMW-AVGNSLFASA-N	221.731	3.290	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@@H](C)CCC(=O)[C@H]2CC1=O	2356801538	RORXDJQKHFUGBV-UUIJZJDISA-N	236.355	3.243	0	1	BGAF	
c1cc2c(cc1N1CCCCC1)[C@H]1C[C@H]2CCN1	102838545	XJEXKGPXFPGEGG-MLGOLLRUSA-N	242.366	3.199	0	3	BGAF	
CC(C)[C@@H]1CC[C@]2(C)[C@@H]3CCC(=O)[C@@H]3[C@@H]12	14614564	PYUWACLOPFTHBV-NRFQWKTPSA-N	206.329	3.284	0	1	BGAF	biogenic
Oc1ccc(Nn2cccc2)c2ccccc12	28759679	LQEMLLZIFVUVGB-UHFFFAOYSA-N	224.263	3.222	0	1	BGAF	
CCCCCC=CC[C@H]1OC(=O)C[C@H]1C	2356539352	LHLQGGXPUHSSSP-VXGBXAGGSA-N	210.317	3.465	0	1	BGAF	
CCC=CC[C@H](CC)[C@@H]1C=CN(C)C=C1C(=O)O	2356783685	LWXSDJOSDFNHLY-STQMWFEESA-N	249.354	3.413	0	1	BGAF	
COc1cccc2c1CC[C@@H](N1CCCCC1)C2	169325786	YZCPQIHRNLZAOD-CQSZACIVSA-N	245.366	3.038	0	1	BGAF	
CCC(=O)OCC1=CCC(C)(C)C[C@H]1C	14822371	XOZBCNJUNGIXPL-SNVBAGLBSA-N	210.317	3.322	0	1	BGAF	biogenic
CC1(C)CCC[C@]1(C)c1cc(CO)ccc1O	15273654	RWMTZMQSBMDBRO-OAHLLOKOSA-N	234.339	3.352	0	1	BGAF	biogenic,in-vitro
Cc1ccc(C2=NC(C)(C)C(C)(C)N2O)cc1	40392637	QGQNPLDNKXKKBZ-UHFFFAOYSA-N	232.327	3.004	0	1	BGAF	
O=C(Nc1cccnc1)c1ccc2occc2c1	103265275	HTDPRUWVPXJUSZ-UHFFFAOYSA-N	238.246	3.080	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2cccc(OC)c2[nH]1	586890985	QHLAEZPJJPDWHI-OTYXRUKQSA-N	230.311	3.475	0	1	BGAF	
O=C1C[C@H](c2ccoc2)Nc2ccccc21	1857651316	BPXBNNUVUBDPNP-GFCCVEGCSA-N	213.236	3.019	0	1	BGAF	
CC(=O)CC(=O)OCC=C(C)CCC=C(C)C	2356342380	RYILZWKGLGVPOC-UHFFFAOYSA-N	238.327	3.201	0	1	BGAF	
CCCN(C)[C@@H]1CCc2ccc(O)cc2C1(C)C	13583889	OFCVIMFAFNDMAR-OAHLLOKOSA-N	247.382	3.326	0	1	BGAF	
CC[C@@]12CC3CC(N)(C1)C[C@](CC)(C3)C2	13777632	SUVNEFNZAWETBP-AKJUYKBHSA-N	207.361	3.474	0	1	BGAF	
C[C@H]1C[C@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	40373672	RWJVTTDOGFCAJS-APYUEPQZSA-N	229.367	3.229	0	1	BGAF	
CC(C)Oc1ccc2nc(C3=COCC3)[nH]c2c1	586914009	YNVUYTUZAUQXEE-UHFFFAOYSA-N	244.294	3.111	0	1	BGAF	
Cc1cc(F)c2[nH]c([C@@H]3C[C@@H](C)CCO3)nc2c1	586916604	AVSRGAJVNWNTOW-UFBFGSQYSA-N	248.301	3.498	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@@H](CCC)CC2=O	587485941	WGWYREHRKIOVOY-JTQLQIEISA-N	248.322	3.479	0	1	BGAF	
CCCC=CCCCC[C@H](OC(C)=O)[C@@H](C)N	2356788313	CBOFPIBXDPMNTN-OCCSQVGLSA-N	241.375	3.182	0	1	BGAF	
N[C@H](/C=C/CCc1cnc[nH]1)CC1CCCCC1	2001868	XEJDMTVMBOFBBX-YOIVXCQUSA-N	247.386	3.196	0	1	BGAF	
O=C1Cc2cc(C3CCCCC3)ccc2O1	29249414	RMBDYOUYFAYDEG-UHFFFAOYSA-N	216.280	3.196	0	1	BGAF	
Cc1ccc(F)c2[nH]c3c(c12)C[C@H](N(C)C)CC3	39214038	BLPGSUIKVFOSCB-SNVBAGLBSA-N	246.329	3.034	0	1	BGAF	
C/C1=C\CCC2=C[C@@](O)(C/C(C)=C/CC1)OC2=O	95587265	VFJNXKMICURJMN-JIBMQQFOSA-N	248.322	3.015	0	1	BGAF	
CC1=C2C[C@@H](O)[C@H](C)[C@@H]2[C@@H]2[C@H](CC1)C2(C)C	238740823	IZONCCDNUJQVJH-HNGSFYKJSA-N	220.356	3.386	0	1	BGAF	
C[C@H]1CC[C@]2(O)[C@H]1C[C@@H]1CC[C@@]2(C)OC1(C)C	238762302	OSXGCNJUBCSZET-JVSQWTDWSA-N	238.371	3.131	0	1	BGAF	
C1=CCN(Cc2cccc3cccnc23)C=C1	2356821450	GAXWLBXEKKBLLO-UHFFFAOYSA-N	222.291	3.120	0	1	BGAF	
C[C@]12CCCC[C@@H]1c1ccccc1C(=S)N2	2491991	CHHPICQFFAHDGN-OCCSQVGLSA-N	231.364	3.382	0	1	BGAF	
Cc1cc2c(C)coc2c2c1CC[C@H]([C@H](C)O)O2	14829705	RJFPIJMZSUUNHA-GXFFZTMASA-N	246.306	3.124	0	1	BGAF	biogenic
CN1[C@@H]2CC=C(Cc3ccccc3)[C@H]1CC2	28528873	LOGBVZNBJWXCIB-HUUCEWRRSA-N	213.324	3.022	0	1	BGAF	
CC(=O)OCC[C@H]1[C@@H]2CC[C@@H](C2)C1(C)C	29042556	PTSRRNQCSHSVHW-WOPDTQHZSA-N	210.317	3.012	0	1	BGAF	
CC1=CC[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@@H]12	39150681	BEVNHPMFXGZXHL-PEDHHIEDSA-N	232.323	3.097	0	1	BGAF	
CCCC/C=C/c1nc2cnccc2[nH]1	587966080	ROPLAMRRXYWESN-AATRIKPKSA-N	201.273	3.161	0	1	BGAF	
COc1cc(/C=C/C2CCCCC2)oc(=O)c1	1772594039	DGUREXRVFOIGNS-BQYQJAHWSA-N	234.295	3.242	0	1	BGAF	
CC(=N)Nc1ccc(CNc2ccccn2)cc1	26729534	HVMBPAPGDZCTDN-UHFFFAOYSA-N	240.310	3.103	0	1	BGAF	
O=C(O)CCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@@H]3CC[C@H]3[C@@H]12	102184798	ZDWWCRQXNJGGFF-MCLBXGSESA-N	246.350	3.025	0	1	BGAF	
NO[C@@H](c1ccccc1)C1CCCCC1	116424323	ZPMGLJJOJGXHQX-ZDUSSCGKSA-N	205.301	3.198	0	1	BGAF	
COc1ccc(/C=C\N(C)C(=O)C=C(C)C)cc1	238775206	HGIHMIZWOBJXGP-KTKRTIGZSA-N	245.322	3.091	0	1	BGAF	
Oc1ccc2c(c1)CC[C@@H]1[C@H](c3ccncc3)[C@H]21	13741602	PMBWFLFXHMHHCP-OWCLPIDISA-N	237.302	3.231	0	1	BGAF	
Cc1ccc2c(c1)[C@@H]1CN[C@H](C2)c2ccccc21	13831943	JIWKMZXTFUAGMT-IAGOWNOFSA-N	235.330	3.327	0	1	BGAF	
FC(F)(F)c1ccccc1-c1ncco1	40762942	SIWAGIVSFLCRHT-UHFFFAOYSA-N	213.158	3.360	0	1	BGAF	
CC(C)Cc1ccc([C@@H](C)C(=O)CN=O)cc1	169729105	AIFHEQFSYZZKKX-LLVKDONJSA-N	233.311	3.324	0	1	BGAF	
c1cncc(Cc2cc3c4c(cccc4n2)CC3)c1	587213397	WCUJATSPLWNYGF-UHFFFAOYSA-N	246.313	3.319	0	1	BGAF	
CCN(CC)c1c(C)[nH]c2c(C(=O)O)cccc12	587638914	XSUOEWXXYAVLSL-UHFFFAOYSA-N	246.310	3.021	0	1	BGAF	
Cc1cc(C)c2[nH]c(CCOCC3CC3)nc2c1	587783038	DPRLJLFVTOCPEC-UHFFFAOYSA-N	244.338	3.149	0	1	BGAF	
CC1=CC2=C(C[C@@H]3CC(C)(C)C[C@@H]13)C(=O)OC2	2356376409	SPRTUTBFXHYHOO-MFKMUULPSA-N	232.323	3.242	0	1	BGAF	
O=C1c2cc(F)ccc2NNC12CCCCCC2	6863585	MSHULUNVROJTTH-UHFFFAOYSA-N	248.301	3.032	0	1	BGAF	
CCC[C@@H](C)/C=C/c1oc(=O)cc(OC)c1C	14658866	WVOBURFODMZGQW-QROSGCPLSA-N	236.311	3.406	0	1	BGAF	
CC1(C)CC2=Cc3cocc3C[C@@](C)(O)[C@@H]2C1	15168819	GWFZQKNWKSJEIN-UKRRQHHQSA-N	232.323	3.406	0	1	BGAF	biogenic
O=C(C[18F])Nc1ccccc1Oc1ccccc1	101694052	YYCGOSMOZFIPEF-HUYCHCPVSA-N	244.256	3.387	0	1	BGAF	
CCCN(CCC)CCc1cccc(OC)c1	169316148	VLVYVCLWALJEBG-UHFFFAOYSA-N	235.371	3.360	0	1	BGAF	
C/C(=C\CC[C@@H](C)c1ccc(C=O)cc1)CO	238740335	IFGXWDSCDATMFF-YKAQBRKTSA-N	232.323	3.321	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cccc(O)c2[nH]1	586885722	AAYJXZKIEKIJSA-ISVAXAHUSA-N	216.284	3.172	0	1	BGAF	
CCCCC[C@H](O)CCC[C@@H](O)CCC	2356767933	IRLMVYZJMDTAIH-STQMWFEESA-N	216.365	3.259	0	1	BGAF	
CN1Cc2cc(F)ccc2[C@@H](c2ccccc2)C1	95559509	LULUPYXXDWTNNO-MRXNPFEDSA-N	241.309	3.403	0	1	BGAF	
CC(=O)c1cc(-c2ccccc2)cc(C(C)=O)n1	238809172	LKYMDWBMWOQVNL-UHFFFAOYSA-N	239.274	3.154	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1	586892751	WDMPKGVNEQUIOO-OTYXRUKQSA-N	244.294	3.165	0	1	BGAF	
Cc1c([C@H](C)CN(C)C)[nH]c2cc(F)ccc12	587636040	YCEALOVZLQFPLD-SECBINFHSA-N	234.318	3.281	0	1	BGAF	
CCCC=CCCC=CC(=O)NCC(C)C	2356449199	DZSIDRFTDRDPCT-UHFFFAOYSA-N	223.360	3.451	0	1	BGAF	
COc1cc2c(cc1[C@@H](C)CO)[C@@H](C)CCC2	2356689056	WXZZUVOODPQACK-QWRGUYRKSA-N	234.339	3.231	0	1	BGAF	
C[C@@H]1Nc2sccc2C(=O)N1c1ccccc1	984468	IPPCFAZRTMNEFO-SECBINFHSA-N	244.319	3.166	0	1	BGAF	
Sc1[nH]cnc2c3cc(Cl)ccc3nc1-2	13865060	RDOASWACARRMPF-UHFFFAOYSA-N	235.699	3.005	0	1	BGAF	
CCCC[C@@H]1CC[C@@H]2CCC[C@@H](CCCO)N21	14616400	NDGNYHJTNRNBRT-ZNMIVQPWSA-N	239.403	3.335	0	1	BGAF	biogenic
Cc1coc2c1C[C@@]1(C)[C@H](CC[C@H](O)[C@@H]1C)C2	15220825	UIWPDJPOLFTUJI-YODMDTAWSA-N	234.339	3.100	0	1	BGAF	
O=Cc1c(-c2ccccc2)[nH]c2cc(O)ccc12	27557121	QXOXLJJDYUMVBW-UHFFFAOYSA-N	237.258	3.353	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)C3=CC[C@H]12	35271637	UMUMRNRVJNFLPT-YWPYICTPSA-N	234.339	3.322	0	1	BGAF	
CC1=C2CC[C@H](C)C[C@@]23O[C@H]1[C@H](C)C(=O)[C@H]3C	103208097	LSOXNOSWTCYVDM-LXRXJZBUSA-N	234.339	3.115	0	1	BGAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]31	104373020	AZCJPMYIWXNBMH-QZOBBIQNSA-N	222.372	3.466	0	1	BGAF	in-man
CC=C(C)C1=C2C(OC)=C(C)O[C@H]2OC(C)=C1	2356395769	WAAKKKASQPRMCH-CQSZACIVSA-N	234.295	3.417	0	1	BGAF	
CC(C)OC(=O)n1c(=S)oc2ccccc21	241767	TYEMYKVWRNVECJ-UHFFFAOYSA-N	237.280	3.357	0	3	BGAF	
C[C@H]1CN(C)C2(C1)C1CC3CC(C1)CC2C3	3639988	OOQZBYUHLRLZOG-IBEXFIOLSA-N	219.372	3.153	0	1	BGAF	
CCC(=O)OCCC1=CC[C@@H]2C[C@@H]1C2(C)C	101141871	UHQXDKLOMGZPJS-NEPJUHHUSA-N	222.328	3.322	0	1	BGAF	
CCc1cccc(C(=O)c2ccccc2)c1O	28760013	SOZBYAGVDSUEON-UHFFFAOYSA-N	226.275	3.186	0	1	BGAF	
Cc1cc2c(cc1Cl)[C@H](C)[C@@H]1CNC[C@H]21	36270538	LARRGEXQHAFKNV-KPXOXKRLSA-N	221.731	3.069	0	1	BGAF	
C=C(c1ccccc1)c1sc(S)nc1O	169721207	HNXWSCMESRQSJN-UHFFFAOYSA-N	235.333	3.199	0	1	BGAF	
CCN(CC)C12C3[C@H]4CC[C@H]1[C@@H]4[C@H]1[C@H]3CC[C@H]12	299813642	GDVMUULPVWCANP-CLYWJEAJSA-N	231.383	3.009	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2cc3cn[nH]c3cc2[nH]1	586890907	PPDDGKWIRUBKTQ-YMTOWFKASA-N	240.310	3.343	0	1	BGAF	
Cc1ccc(C)c2[nH]c([C@](C)(O)C(C)C)nc12	586892953	YLGXNZVPUXVCNT-CQSZACIVSA-N	232.327	3.043	0	1	BGAF	
c1cn(CC[C@@H]2CCCc3sccc32)cn1	13808209	VXSCOZUNSFZLHG-NSHDSACASA-N	232.352	3.455	0	1	BGAF	
CC1(C)CCC[C@@]2(C)C3=C(CC[C@H]12)COC3=O	14559562	MEGPFBRAROUGQD-IAQYHMDHSA-N	234.339	3.466	0	1	BGAF	biogenic
c1ccc(-c2cnc(Nc3ccccn3)o2)cc1	14945032	LKBGPGNNWCCNKP-UHFFFAOYSA-N	237.262	3.480	0	1	BGAF	
COc1cc2c(cc1C)C(=O)CC[C@@H]2C	34563044	JUSSIJFTWFUOLF-QMMMGPOBSA-N	204.269	3.084	0	1	BGAF	
COc1ccccc1/C=C/c1ccc(N)cc1	653757036	AVPUVWIBTOXEOJ-RMKNXTFCSA-N	225.291	3.448	0	1	BGAF	
CC(C)(O)[C@@H]1CC=C2CCC[C@](C)(O)[C@@]2(C)C1	2356323334	BTDUEFQBQIZNRY-SNPRPXQTSA-N	238.371	3.035	0	1	BGAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CCC=C[C@@H]12	2356665910	GIOSSFCGQAGYSG-FQUUOJAGSA-N	208.345	3.386	0	1	BGAF	
Oc1ccc2c(c1)CC[C@H]1[C@H](c3ccncc3)[C@@H]21	13741601	PMBWFLFXHMHHCP-JYJNAYRXSA-N	237.302	3.231	0	1	BGAF	
C[C@@H]1CCC[C@H]2CCN[C@@H](C2)c2cccnc2C1	14441941	XXFUPXULZIGGDJ-WWGRRREGSA-N	244.382	3.485	0	1	BGAF	biogenic
CCCN1CC[C@@H]2c3cccc(OC)c3CC[C@@H]21	26010235	VUKJBNUKLLGULS-HIFRSBDPSA-N	245.366	3.209	0	1	BGAF	
Cc1cccc([C@@H]2COc3ccccc3C2=O)c1	84619296	XWJUCWAFAOYVGM-AWEZNQCLSA-N	238.286	3.354	0	1	BGAF	
CC1(C)C2=CC[C@@](C)(O)CC[C@]2(C)CC[C@@H]1O	103293434	XDZXXSCVVPIKAI-AEGPPILISA-N	238.371	3.035	0	1	BGAF	
Cc1ccc(C)c2c1CC[C@@H](C(C)(C)O)C2	14616079	AFBBWQXTLZVDEE-GFCCVEGCSA-N	218.340	3.179	0	1	BGAF	biogenic,in-vitro
CCOc1cc(C)cnc1Nc1cccc(C)n1	28528570	OELLDSZSJFKPME-UHFFFAOYSA-N	243.310	3.236	0	1	BGAF	
Cc1cc(C)cc(Nc2n[nH]c3cccnc23)c1	166972346	WWFSONMIVYZKJG-UHFFFAOYSA-N	238.294	3.318	0	1	BGAF	
Nc1snc2cc(-c3ccc(F)cc3)cnc12	223260319	SSRVKSIQKDLXTL-UHFFFAOYSA-N	245.282	3.080	0	1	BGAF	
FC(F)(F)c1cc2c3c(cccc3n1)CC2	587210045	BZIAGQWPVZKEFY-UHFFFAOYSA-N	223.197	3.352	0	1	BGAF	
CSc1nc2ccc(C)cc2c(O)c1C(C)=O	1857758740	YCCFQLSSNRAVCC-UHFFFAOYSA-N	247.319	3.173	0	1	BGAF	
COc1ccc2c(c1)[C@@]1(C)CC[C@@H](O)C[C@@H]1CC2	3978384	FMZYZILCSUARND-ZENOOKHLSA-N	246.350	3.060	0	1	BGAF	
C[C@]12N[C@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12	25993572	COGPALBKCNFTGA-BVUBDWEXSA-N	227.351	3.236	0	1	BGAF	
CC1=CC[C@@]23C[C@@H]1[C@](C)(CO)[C@H]2CC[C@H]3C	33952735	PPTXKCYXNDLKTQ-SEBNEYGDSA-N	220.356	3.387	0	1	BGAF	
CC1=CCC2=C(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	34483124	WBHVRMWEPJHOHP-PYJNHQTQSA-N	232.323	3.241	0	1	BGAF	biogenic,in-vitro
COc1cccc([C@]23CCCC[C@H]2CN(C)C3)c1	72113094	NBIXVIPZQQXWBM-GOEBONIOSA-N	245.366	3.069	0	1	BGAF	
CC(C)c1cccc(C2CC(=O)CC(=O)C2)c1	102916004	RKNLRFQOXGTHTA-UHFFFAOYSA-N	230.307	3.216	0	1	BGAF	
CCCC/C=C\c1sc(S)nc1O	169721204	NRLPFFHZVUFORL-WAYWQWQTSA-N	215.343	3.341	0	1	BGAF	
COc1cc(C(C)=O)cc(CC=C(C)C)c1O	220985191	OWQBRGORYSHPCB-UHFFFAOYSA-N	234.295	3.112	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cccc(OC)c2[nH]1	586890982	QHLAEZPJJPDWHI-LKFCYVNXSA-N	230.311	3.475	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@H](C(C)C)CC2=O	587489499	OZXURKPQMAWKJV-AWEZNQCLSA-N	248.322	3.335	0	1	BGAF	
c1ccc([C@@H]2C[C@H]2Cc2nc3cccnc3[nH]2)cc1	587959757	HMWYOQGXCYTCJG-STQMWFEESA-N	249.317	3.304	0	1	BGAF	
CCCC=CC=CC(=O)NCCc1ccccc1	2356656900	NZEWIGFGWCJNAX-UHFFFAOYSA-N	243.350	3.258	0	1	BGAF	
C1=C(c2cn(Cc3ccccc3)nn2)CCCC1	9339871	ITHXVNHUGCAYAB-UHFFFAOYSA-N	239.322	3.284	0	1	BGAF	
CCc1sc(C(C)C)nc1Cc1c[nH]cn1	13802730	MFNJALQXAGAEPP-UHFFFAOYSA-N	235.356	3.143	0	1	BGAF	
CC(C)(CCCCCCC(=O)O)n1ccnc1	36242097	KBISNBZTFZWWPZ-UHFFFAOYSA-N	238.331	3.043	0	1	BGAF	
c1ccn(CCOc2ccc3[nH]ccc3c2)c1	39257800	NSZDJRLPCLOQAM-UHFFFAOYSA-N	226.279	3.048	0	1	BGAF	in-vivo
C/C(=C/CC[C@]1(C)[C@H]2C[C@H]3[C@@H](C2)[C@@]31C)CO	100072579	PDEQKAVEYSOLJX-HWJMPTDQSA-N	220.356	3.387	0	1	BGAF	in-vitro
CCC12C[C@@H]3CC(N)(C[C@@H](C1)c1ccccc13)O2	101926025	QQSCRIPRFNLCHS-CPWXYTRJSA-N	243.350	3.275	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(C(=O)O)cc2[nH]1	586892754	WDMPKGVNEQUIOO-YMTOWFKASA-N	244.294	3.165	0	1	BGAF	
CCCc1c(C(C)=O)nc2cccc3c2c1CC3	587212817	DQCXOJMWMISTQN-UHFFFAOYSA-N	239.318	3.489	0	1	BGAF	
C[C@]12CCc3c(nc4cccc5c4c3CC5)[C@@H]1O2	587216319	ZXKVLOYXYZDTQF-HOTGVXAUSA-N	237.302	3.110	0	1	BGAF	
CSCCc1cc2c3c(cccc3n1)CC2	587216688	JVJAEWXNOILCCC-UHFFFAOYSA-N	229.348	3.239	0	1	BGAF	
CCCC/C=C\c1nc2c(Cl)ncnc2[nH]1	587965241	INSSFJOKTOMMFH-WAYWQWQTSA-N	236.706	3.210	0	1	BGAF	
Cc1cnc2[nH]c([C@@H]3CC=CC[C@H]3C)nc2c1	587971073	SCGPCJMVYOPJDS-GHMZBOCLSA-N	227.311	3.336	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](C(=O)O)CC[C@@H]2C(C)C	13381489	KNOBWLZFGSJVHF-GHMZBOCLSA-N	248.322	3.402	0	1	BGAF	biogenic
COc1ccc2c(c1)ncn2-c1cccs1	13782594	WSBDTCAGQYGFIR-UHFFFAOYSA-N	230.292	3.096	0	1	BGAF	
Cc1coc2c1[C@@H]1OC(=O)[C@H]3CCC[C@H](C2)[C@@]31C	15220965	KTALFCIOJDCGJF-NRWDQBFYSA-N	246.306	3.165	0	1	BGAF	
CC1(C)C(=O)C[C@]23CCC[C@@](C)(CC(=O)[C@@H]12)C3	102961763	IDXVGRTXFXYOCS-QEJZJMRPSA-N	234.339	3.141	0	1	BGAF	
CC(=O)Oc1cc2c3c(cccc3c1)O[C@H](C)C2	2356686589	LJABLUDQWNPNDU-SECBINFHSA-N	242.274	3.089	0	1	BGAF	
C[C@H]1CC[C@H]2[C@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	1509656	AYXPYQRXGNDJFU-GGZSWOCBSA-N	222.372	3.466	0	1	BGAF	
COc1ccc(/C=C/c2ccco2)cc1	13553957	WOMHYXYCYIKZAG-RMKNXTFCSA-N	200.237	3.459	0	1	BGAF	
CC[C@@H](C)Cc1cccc([C@H](C)C(=O)O)c1	28467408	MKEVMCJZLHDVPO-MNOVXSKESA-N	220.312	3.463	0	1	BGAF	in-vivo
CCCCN[C@@H]1CCc2[nH]c3ccccc3c2C1	39213993	LGWVLETTZTZTPU-GFCCVEGCSA-N	242.366	3.415	0	1	BGAF	
C[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@H]2C1	254132991	RAGBGCLEOLTWAD-XHDPSFHLSA-N	240.350	3.497	0	1	BGAF	
COc1ccc(/C=C/c2cc(C)no2)cc1OC	299871584	YTEVVANEVZNHIW-GQCTYLIASA-N	245.278	3.171	0	1	BGAF	
c1nc(CCCCCNC2CCCCC2)c[nH]1	13685898	XFSHNAXXKOSENG-UHFFFAOYSA-N	235.375	3.045	0	1	BGAF	in-vitro
CC1=CC=C[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12	15207236	RUZHVXNNTBRZPB-KMCWBVRRSA-N	232.323	3.097	0	1	BGAF	biogenic
NC[C@H]1[C@H]2CC[C@H](C2)[C@H]1c1ccc(Cl)cc1	36177468	JGDHOGCSEVVPRV-UZGDPCLZSA-N	235.758	3.428	0	1	BGAF	
COC(=O)c1oc2c(sc3ccccc32)c1O	101166724	XXOVGJPQSVQYTQ-UHFFFAOYSA-N	248.259	3.140	0	1	BGAF	
c1cnc2ccc([C@@H]3CN4CCC3CC4)cc2c1	653782531	XZVMNMZLBUKKAO-OAHLLOKOSA-N	238.334	3.044	0	1	BGAF	
CC=C(C)C[C@@H]1C(=O)Nc2ccccc21	2356643354	QIMZKLYZLFTHMD-NSHDSACASA-N	201.269	3.079	0	1	BGAF	
CCc1ccc(O)c(C(=O)c2ccc(C)cc2)c1	28759690	LTDGNBAJRYLCBN-UHFFFAOYSA-N	240.302	3.494	0	1	BGAF	
Oc1ccccc1Cc1cccc(Cl)c1O	40979140	RTDAHRYCWWWAQS-UHFFFAOYSA-N	234.682	3.342	0	1	BGAF	
C[C@@H]1C[C@]23CCCN4CCC[C@@H](C(=O)CC2)[C@]43C1	100017602	RVZXICZITJIXKD-VRKREXBASA-N	247.382	3.010	0	1	BGAF	in-vitro
CC[C@@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3	586887710	HMHRPSXMUWAZNY-CLAHSXSESA-N	244.294	3.195	0	1	BGAF	
c1ccc(CN2CCC(COC3CC3)CC2)cc1	13730212	CTARQXSEHSYSMH-UHFFFAOYSA-N	245.366	3.078	0	1	BGAF	
CN(C)CCOc1cccc(-c2ccccc2)c1	28238093	XYIFLKDAKDHIML-UHFFFAOYSA-N	241.334	3.294	0	1	BGAF	
C1=C2C(=C(c3ccccc3)c3ccccc32)CNC1	28260334	KIUIXTNMEMKNGK-UHFFFAOYSA-N	245.325	3.489	0	1	BGAF	in-vivo
c1ccc2[nH]c(-c3n[nH]c4cccnc34)cc2c1	64559083	DMCCIGLSUATEMD-UHFFFAOYSA-N	234.262	3.106	0	1	BGAF	
CC1=C(CC2=NCCN2C)CCc2ccccc21	100688763	IEVRECQMJRVENE-UHFFFAOYSA-N	240.350	3.140	0	1	BGAF	
CC(C)c1c(C(=O)O)nc2cccc3c2c1CC3	587216131	ZXQTZOGQKNOKRO-UHFFFAOYSA-N	241.290	3.155	0	1	BGAF	
CC1=CCC[C@H](C)C=C[C@H](C(C)(C)O)C[C@@H]1O	2356764971	DXVZUYIXOHXNBU-UBHSHLNASA-N	238.371	3.057	0	1	BGAF	
C[C@@H]1C=CC(=O)O[C@@H]1c1ccc(Cl)cc1	13829262	WZNPEZOBJVWTKI-PELKAZGASA-N	222.671	3.130	0	3	BGAF	
CC(=O)CC[C@@H]1[C@@H]2C(=O)CC[C@@]2(C)CC1(C)C	14694834	GTUMAHOVZNSHNI-KYOSRNDESA-N	236.355	3.387	0	1	BGAF	biogenic
C[C@@H]1CC[C@H](C=O)[C@H](C=O)C2=CC(C)(C)C[C@H]21	14769115	PIDWXMMRRLYHKF-NMKXLXIOSA-N	234.339	3.019	0	1	BGAF	biogenic
Nc1cc2cn[nH]c2c2c(-c3ccccc3)c[nH]c12	96910109	UEFLVTJRGPIKNB-UHFFFAOYSA-N	248.289	3.293	0	1	BGAF	
CN1C[C@@H]2CC[C@@H](C1)C2c1ccc(Cl)cc1	100947986	QIAUIJSQWFLUGV-RYUDHWBXSA-N	235.758	3.395	0	1	BGAF	
CN(C)C[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccccc1	253684184	KHJQHGAUNZLOFM-YHUYYLMFSA-N	229.367	3.378	0	1	BGAF	
CCCOc1ccc(Cl)cc1[C@H]1C[C@@H]1CN	299853825	QLRUVNWJVHLRAZ-KOLCDFICSA-N	239.746	3.191	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC[C@@H]1C)O2	587405625	MMUKQAVLJBRUML-BONVTDFDSA-N	245.322	3.101	0	1	BGAF	
C=C=C[C@@H]1C[C@@H]2Oc3cccc(CC)c3[C@@H]2O1	2356794629	LHLMWKHMUMTEJD-OSAQELSMSA-N	228.291	3.181	0	1	BGAF	
Fc1ccc2cc(-c3cccnc3)ncc2c1	61968975	RIQSIVMYVSCMGG-UHFFFAOYSA-N	224.238	3.436	0	3	BGAF	
Cc1ccc(C(=O)c2cccc(NO)c2)cc1	6522480	NVQONKVLTFKPCC-UHFFFAOYSA-N	227.263	3.027	0	1	BGAF	
CCN(CC)C(=O)/C=C/c1c[nH]c2ccccc12	12859630	KOUPKFVGRBFQIK-MDZDMXLPSA-N	242.322	3.050	0	1	BGAF	
CSc1ccc2cc(C[C@@H](C)N)ccc2c1	40847776	YTLQCSVRMANEOQ-SNVBAGLBSA-N	231.364	3.451	0	1	BGAF	in-vivo
Cc1sc2ccccc2c1[C@H]1C=CNC=N1	218954058	RQSGXVVELWHRNI-LLVKDONJSA-N	228.320	3.396	0	1	BGAF	
c1coc([C@@H]2C[C@H]3Cc4ccccc4N2O3)c1	299822757	BNPSFYSDBGECMA-YPMHNXCESA-N	227.263	3.087	0	1	BGAF	
Nc1ccc2oc(-c3cccc(O)c3)cc2c1	473113738	KLMCEFNNBHHJTP-UHFFFAOYSA-N	225.247	3.388	0	1	BGAF	
c1ccc(C[C@@H]2CC(c3ccccc3)=NO2)cc1	40834561	IMTGFFLRCGPYTN-OAHLLOKOSA-N	237.302	3.422	0	1	BGAF	
Oc1cccc2c1-c1[nH]c3ccccc3c1C2	45356149	NBGIRTVZPOCBPT-UHFFFAOYSA-N	221.259	3.445	0	1	BGAF	
C[C@H]1C(=O)Oc2cc(-c3ccccc3)ccc21	100711286	BGRPXIUQRHVNHM-SNVBAGLBSA-N	224.259	3.376	0	1	BGAF	
Cc1ccc(-c2ccc3[nH]c(=N)sc3c2)cn1	474607671	JUOONRVZCOKLQK-UHFFFAOYSA-N	241.319	3.079	0	1	BGAF	
Cc1cccc(N[C@@H]2OCCc3ccccc32)n1	1857639665	FAFHLGMFQVTEMF-OAHLLOKOSA-N	240.306	3.073	0	1	BGAF	
C[C@@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2C	13454262	JBSRPCWYMOJXAM-UHOFOFEASA-N	245.366	3.154	0	1	BGAF	
CC(C)[C@H]1CC[C@](C)(O)c2ccc(C(=O)O)cc21	14445123	WOURYSLHFFSMAH-ABAIWWIYSA-N	248.322	3.126	0	1	BGAF	biogenic
CC1(C)Cc2ccc3ccccc3c2C=[N+]1[O-]	27555073	KQVIONMBAZCSCI-UHFFFAOYSA-N	225.291	3.104	0	1	BGAF	
CN1CC=CC[C@H](c2cc3ccccc3o2)C1	95584553	LBMMBEDCUJAMIZ-ZDUSSCGKSA-N	227.307	3.408	0	1	BGAF	
CN(C)c1cc(Cl)cc2c3cc[nH]cc-3nc12	100828902	UXOPJRYPRANAER-UHFFFAOYSA-N	245.713	3.387	0	1	BGAF	
CC(C)[C@H]1CC(=O)[C@H](C)[C@@]12CC[C@@H](C)C(=O)C2	238739622	LAEJTNRXQGCKMM-ZAZJYDDPSA-N	236.355	3.243	0	1	BGAF	
Cc1ccc2c(c1)O[C@H](C[C@H](C)O)C[C@@H]2C	2356874186	YTSLUCUOKPWEMY-SRVKXCTJSA-N	220.312	3.021	0	1	BGAF	
Clc1ccc(-c2cnc3cccnn23)cc1	61908332	MXCTZWIJUWKLTD-UHFFFAOYSA-N	229.670	3.050	0	3	BGAF	
CC(C)[C@H]1SCc2nc3ccccc3n21	13214679	CRQBLABDWHLEIW-GFCCVEGCSA-N	218.325	3.438	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](C(=O)O)CC[C@H]2C(C)C	13381491	KNOBWLZFGSJVHF-WDEREUQCSA-N	248.322	3.402	0	1	BGAF	biogenic
CC1=Cc2c(cc(C)oc2=O)O[C@H]1c1ccco1	28820348	SHQMQDCGADUTJT-CYBMUJFWSA-N	244.246	3.078	0	1	BGAF	
O=C(Oc1cncc(Cl)c1)C1CCCCC1	40879998	ADYLUSUZXSYOEZ-UHFFFAOYSA-N	239.702	3.221	0	1	BGAF	
CC(=S)O[C@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21	103943366	SOCGROLMYUCUSI-MJDLHHQISA-N	210.342	3.175	0	1	BGAF	
COc1ccc2c(c1)C=C(CN1CCCC1)CC2	169324781	XYQNJJVEBUCBPJ-UHFFFAOYSA-N	243.350	3.121	0	1	BGAF	
COc1cc2c3ccccc3n3c2c(n1)C=CC3	238755597	FNRVOOIRVFCWLL-UHFFFAOYSA-N	236.274	3.225	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2cc3c(cc2[nH]1)OCO3	586887717	HMHRPSXMUWAZNY-XLKFXECMSA-N	244.294	3.195	0	1	BGAF	
CCC[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403702	QDEFYPYWUTXVGX-AWEZNQCLSA-N	233.311	3.101	0	1	BGAF	
CC[C@@H](C)c1nc2cncc(Cl)c2[nH]1	587955389	IKDUXOGKIZTKDD-ZCFIWIBFSA-N	209.680	3.125	0	1	BGAF	
CCCC/C=C\c1nc2cccc(O)c2[nH]1	587965293	JIYDVPWHEXHEOY-UITAMQMPSA-N	216.284	3.472	0	1	BGAF	
NC1=Nc2ccc(Cl)cc2[C@H]2CCC[C@@]12F	25800	MQCLHYQSXIPQDZ-SKDRFNHKSA-N	238.693	3.318	0	1	BGAF	
Cc1ccc(O)c([C@@]2(C)CCC[C@]2(C)CO)c1	15273675	AOYZAQMDZPHFIS-HUUCEWRRSA-N	234.339	3.141	0	1	BGAF	biogenic
CCC(=O)c1nc2cccc3c2c(c1C)CC3	587214762	YNHXVRIOBFCRFU-UHFFFAOYSA-N	225.291	3.235	0	1	BGAF	
CC1=C[C@@H]2C[C@@]3(CCOC3=O)C(C)(C)[C@@H]2CC1	15273495	LWKYOCBKCDIMKI-LALPHHSUSA-N	234.339	3.322	0	1	BGAF	biogenic
CN1CCCCCc2[nH]c3ccccc3c2CC1	28567841	MHEDUIZPBANEAM-UHFFFAOYSA-N	242.366	3.369	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2[C@@H]1CC[C@@]1(C)C(=O)CC[C@H]21	40373953	IVLSDDWNIUUOGR-AZKPJATDSA-N	248.366	3.387	0	1	BGAF	
Cc1ccc(N2CSCSC2)cc1	82052747	IKFPWJYCNNWJDP-UHFFFAOYSA-N	211.355	3.154	0	1	BGAF	
CC(C)C[C@@H]1N[C@H](C)S[C@@H](C)S1	95620591	TWYULKMKVIUSSQ-DJLDLDEBSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CC(C)(C)c1cccc2nc([C@H](N)C3CC3)[nH]c12	587255385	GCXLBDRXZNPBCW-GFCCVEGCSA-N	243.354	3.270	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C)(C1CCC1)O2	587406151	PVKIERSBRGNBAG-OAHLLOKOSA-N	245.322	3.101	0	1	BGAF	
Cc1cccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c12	587961156	DIYITALHGIXTJQ-WDEREUQCSA-N	242.322	3.029	0	1	BGAF	
CCCC/C=C/c1nc2ccc(CO)cc2[nH]1	587965540	MRUODWYVJQJNAH-AATRIKPKSA-N	230.311	3.259	0	1	BGAF	
CC1=NC(=Cc2cccc3ccccc23)C(=O)O1	2356308438	SOZGZXBLNWADNY-UHFFFAOYSA-N	237.258	3.156	0	1	BGAF	
CCCCC[C@@H](O)C=C[Si](C)(C)C	2356746831	UIYNJHZMMWSTOI-LLVKDONJSA-N	200.398	3.361	0	1	BGAF	
N[C]1Sc2ccccc2N1Cc1ccccc1	2356856423	FQJLSZDTPXMNCI-UHFFFAOYSA-N	241.339	3.205	0	1	BGAF	
CCCN1Cc2cccc3[nH]cc(c23)C[C@@H]1C	6380272	JUUWHTWSYWGMDK-NSHDSACASA-N	228.339	3.325	0	1	BGAF	
CC(C)c1nc2cc3c(cc2o1)[C@@H]1CNC[C@H]3C1	28526244	JHFTWXCZLKAESI-ZJUUUORDSA-N	242.322	3.125	0	1	BGAF	
Cc1cccc(C(=O)Oc2cncc(Cl)c2)c1	40875309	VJJWBIBHALJRRA-UHFFFAOYSA-N	247.681	3.263	0	1	BGAF	
Fc1ccc([C@@H]2CC=CCNC2)cc1Cl	95584520	PTKQUPHPZRJQRH-SNVBAGLBSA-N	225.694	3.112	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@]1(O)CCC(C)=CC1=O	5662808	QCLWFRYXYGDIEZ-ZFWWWQNUSA-N	236.355	3.409	0	1	BGAF	biogenic
C[C@H]1CC[C@H]2C(C)(C)[C@H](CO)[C@@H]3CC[C@]12C3	70454355	KTMJGGMQCFLMFK-PFFFPCNUSA-N	222.372	3.467	0	1	BGAF	biogenic,in-vitro
CC[C@H](C)[C@@H]1N[C@@H](C)S[C@H](C)S1	261499724	WONMKWKUDGYZEA-UYXSQOIJSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CC(C)(C)c1ccc2nc([C@H]3CC[C@@H]3N)[nH]c2c1	587246424	JHJSDPYTOYMNTA-QWRGUYRKSA-N	243.354	3.065	0	1	BGAF	
CC1=CCCC2=C[C@@](O)(CC(C)=CCC1)OC2=O	1857742091	VFJNXKMICURJMN-OAHLLOKOSA-N	248.322	3.015	0	1	BGAF	
CN1CCC(CC2=Cc3ccccc3C2)CC1	13449585	LHRNGCMLMUPFHM-UHFFFAOYSA-N	227.351	3.358	0	1	BGAF	
C=C[C@](C)(O)C[C@H]1C=C(C)C[C@@H](C=C(C)C)O1	15160394	NNCJOVBGLCRHAN-KFWWJZLASA-N	236.355	3.384	0	1	BGAF	biogenic
CN1[C@@H]2CC[C@@H](Cc3ccccc3)[C@H]1CC2	28528874	QVIWWIYJPCZLQR-RRFJBIMHSA-N	215.340	3.102	0	1	BGAF	
C/C=C\CC/C=C/C=C/C(=O)N1CCCCC1	238763643	KCDOVRRODRAKCG-AMJQMGDOSA-N	233.355	3.468	0	1	BGAF	
c1cc2c3c(cc(-c4nccs4)nc3c1)CC2	587358413	DBFDZOFCGUOYMM-UHFFFAOYSA-N	238.315	3.457	0	1	BGAF	
Cc1ccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c2c1	587961462	GDRWZGHKZVMKAV-MNOVXSKESA-N	242.322	3.029	0	1	BGAF	
CCC[C@H]1OC(=O)[C@H]1CCCc1ccccc1	1857605704	HKHZTKGMFLUIEY-UONOGXRCSA-N	232.323	3.351	0	1	BGAF	
CC1(C)CCCCC[C@](C)(CCCO)C1=O	1646817	XUSLTPZOZMXZSJ-CQSZACIVSA-N	226.360	3.325	0	1	BGAF	
CC(C)CC(=O)C[C@H](C)C1CCC(CO)CC1	14619028	RFQFDHJCBVXDDH-HSBZDZAISA-N	240.387	3.427	0	1	BGAF	biogenic
Cc1ccc2c(c1)[C@H]1CN[C@H](C2)c2ccccc21	100739959	JIWKMZXTFUAGMT-DLBZAZTESA-N	235.330	3.327	0	1	BGAF	
CC(C)[C@@]12CC[C@](C)(O1)[C@H]1C(=O)C[C@H](C)[C@@H]1C2	100780081	CSLBUZGPLRECOR-OPYWOCCESA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
Cc1cccc(Nc2c(N)oc3cnccc23)c1	1857656632	OJCNUPBJLOERRL-UHFFFAOYSA-N	239.278	3.462	0	1	BGAF	
CC[P@]1(=O)OC(C)(C)CN1C(C)(C)C	6424832	GVVQGNPJJPDIEH-AWEZNQCLSA-N	219.265	3.109	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1C=C[C@](C)(O)[C@@H](O)C1	13377208	YRFJMOGROZTYPC-AJNGGQMLSA-N	238.371	3.057	0	1	BGAF	in-man
c1ccc2c(c1)CCC[C@@H]2CCn1ccnc1	13808197	IWHDGKMFQQWLPU-CQSZACIVSA-N	226.323	3.393	0	1	BGAF	
C[C@@]12N[C@@H](Cc3ccccc31)[C@@H]1CCCC[C@@H]12	25993564	COGPALBKCNFTGA-SYAUCNOPSA-N	227.351	3.236	0	1	BGAF	
O=C(CCc1ccccc1)c1cc(F)ccc1O	73160922	SLCUMIFQVRDMGO-UHFFFAOYSA-N	244.265	3.347	0	1	BGAF	
Cc1[nH]cnc1-c1[nH]ccc2c3ccccc3nc1-2	100910889	KQSALEVGGXXJIU-UHFFFAOYSA-N	248.289	3.366	0	1	BGAF	
CCCN1CCC[C@@H]2C[C@@H]1c1ccc(O)cc12	101769440	IGSXTRMNXITSHG-IAQYHMDHSA-N	231.339	3.426	0	1	BGAF	
C[C@@H]1C(=O)S[C@](C)([C@@H](C)c2ccccc2)C1=O	169719299	HQDSPUUMYQWFFK-PKFCDNJMSA-N	248.347	3.027	0	1	BGAF	
CC(C)(Cl)c1nc2cncc(Cl)c2[nH]1	587009184	VYECBIQIJZFDOF-UHFFFAOYSA-N	230.098	3.085	0	1	BGAF	
CCCC/C=C/c1nc2cc3c(cc2[nH]1)OCO3	587965089	GUUXSDIKAUTKJJ-AATRIKPKSA-N	244.294	3.495	0	1	BGAF	
CC[C@H]1CCCC[C@@]12NCCc1c(C)ccnc12	963075340	RSZZNRWHPVOXPP-XJKSGUPXSA-N	244.382	3.331	0	1	BGAF	
COc1nc(-c2ccccn2)cc2ccccc12	971659	SPDVXVLHUDMYGJ-UHFFFAOYSA-N	236.274	3.305	0	1	BGAF	
CC(=O)[C@@H](Cc1ccccc1N)c1ccccc1	27093085	JLHBPJGUMHQOCI-OAHLLOKOSA-N	239.318	3.184	0	1	BGAF	
CCCCCN(C(=O)C(C)C)c1nc(C)co1	39246401	SKRBDQGRMHOMSE-UHFFFAOYSA-N	238.331	3.162	0	1	BGAF	
c1cc2cc(-c3ccc4cn[nH]c4c3)cnc2[nH]1	63298526	ZLVOTRRGLSDLPF-UHFFFAOYSA-N	234.262	3.106	0	1	BGAF	
Cc1ccc(C(=O)c2ccc(O)c(F)c2)cc1	169307920	MIBILXKDCGXTKZ-UHFFFAOYSA-N	230.238	3.071	0	1	BGAF	
CC(C)C(=O)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@H]12	238739942	AUABALVLEYWUSM-MXAVVETBSA-N	238.371	3.179	0	1	BGAF	
Cc1nc(Nc2ccccn2)nc2ccccc12	299828587	RTALTPLUVZQKSO-UHFFFAOYSA-N	236.278	3.077	0	1	BGAF	
Cc1cc(F)c2[nH]c(COC(F)(F)F)nc2c1	587126597	ZBISLEMQDVSNTM-UHFFFAOYSA-N	248.179	3.047	0	1	BGAF	
CC1(C)CCC[C@@]1(C)c1cc(CO)ccc1O	15273651	RWMTZMQSBMDBRO-HNNXBMFYSA-N	234.339	3.352	0	1	BGAF	biogenic
Nc1cc(N)cc(/C=C/c2ccc(F)cc2)c1	43019362	NHVHRPAEYHNCOA-OWOJBTEDSA-N	228.270	3.161	0	1	BGAF	
Cc1c(O)cc(/C=C/c2ccc(O)cc2)cc1O	197026840	IZFXJBZTOTXUMI-NSCUHMNNSA-N	242.274	3.282	0	1	BGAF	
CCN(CC)Cc1c(C)[nH]c2cccc(F)c12	587635410	KRUYEQNEUVLWGM-UHFFFAOYSA-N	234.318	3.457	0	1	BGAF	
C[C@H]1CCN(C)C12C1CC3CC(C1)CC2C3	3639994	VYTIURBPIKNTHQ-GFSREQAASA-N	219.372	3.153	0	1	BGAF	
CCOC(=O)c1cc2c(cn1)oc1ccccc12	8253052	PMHIHKUUKVLSBG-UHFFFAOYSA-N	241.246	3.158	0	1	BGAF	
C[C@@H]1OC(=O)C2=C1CC(C)(C)C[C@@H]1C[C@]21C	14615500	JYVVXGYNFYHSER-QIBSRJKCSA-N	220.312	3.075	0	1	BGAF	biogenic
C[C@@H]1C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2N(C)C1	29324176	SABGEBMFVXRDQI-NLRBGTRBSA-N	242.366	3.023	0	1	BGAF	
CC1=C2CC[C@@H](C)[C@@H]2C[C@H]2[C@H](C1)OC(=O)[C@H]2C	238746272	LGGWYHIMEGQREQ-VMOOEMLUSA-N	234.339	3.321	0	1	BGAF	
CC(C)(C)c1ccc2nc(C3=COCC3)[nH]c2n1	586914034	YWBRXOQTCQQWOR-UHFFFAOYSA-N	243.310	3.017	0	1	BGAF	
CC1=C[C@H](O)CC(C)=C[C@@H](O)[C@H](C(C)C)CC1	2356556843	QNMWLBQJIVQIBA-SOUVJXGZSA-N	238.371	3.057	0	1	BGAF	
CCCCCc1cc(=O)c2ccc(O)cc2o1	28875413	FTZZUMJIGQCONH-UHFFFAOYSA-N	232.279	3.231	0	1	BGAF	
C[C@@H](NC1CCC1)C(=O)c1cccc(Cl)c1	45245577	HKOVZQZDXNHYOJ-SECBINFHSA-N	237.730	3.053	0	1	BGAF	in-vitro
S=c1ocnn1-c1ccc2ccccc2c1	45366929	QKVVKAXJOFXSJU-UHFFFAOYSA-N	228.276	3.348	0	1	BGAF	
Cc1ccc2c(=O)c3c([nH]c2c1)CCC(C)(C)C3	72107662	OXXLJOPBCBNPJN-UHFFFAOYSA-N	241.334	3.351	0	1	BGAF	
Cc1cc([C@@H]2CC=CCNC2)ccc1Cl	95584929	KRNOLRHDBBTXOP-GFCCVEGCSA-N	221.731	3.282	0	1	BGAF	
c1ccc2c(c1)C[C@@H]1CN[C@@H]2c2ccccc21	101168507	WJBGPJTZOSLZQG-WBMJQRKESA-N	221.303	3.019	0	1	BGAF	
Clc1ncc(-c2nc3ccccc3[nH]2)s1	587023021	IFHNQJHFWRUXAK-UHFFFAOYSA-N	235.699	3.340	0	1	BGAF	
Cc1c(-c2ccnn2C)[nH]c2cccc(F)c12	587635536	JSTJOVSAMZAVLV-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
Oc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1	1857746318	UXDWVZVDCJQJHJ-OWOJBTEDSA-N	240.258	3.291	0	1	BGAF	
CC(=O)c1cnc2oc3ccc(O)cc3c2c1C	1662930	XHGOKHHMIQTVED-UHFFFAOYSA-N	241.246	3.198	0	1	BGAF	
Oc1ccc(SCc2cc(O)ccc2O)cc1	1856884	SPKMMWKRZJWHSL-UHFFFAOYSA-N	248.303	3.096	0	1	BGAF	
Cc1ccc(/N=c2/sc(C)c(C)n2C)cc1	102539604	FYXSDUPMYFYPSU-BUHFOSPRSA-N	232.352	3.244	0	1	BGAF	
C[C@H]1[C@H](O)CC[C@]23C[C@@H]4[C@H](C[C@@]12C)[C@]4(C)C3	238767002	QACHZVKROYIYIY-PUNCIGQSSA-N	220.356	3.220	0	1	BGAF	
C[C@H]1CCCc2c(C=O)cc3c(CO)coc3c21	238787190	NZMGDAUZVBYQMV-VIFPVBQESA-N	244.290	3.177	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2cncc(C)c2[nH]1	586892060	SYZMQYQJSBJARC-NOZJJQNGSA-N	215.300	3.170	0	1	BGAF	
Cc1c[nH]c(-c2cc3c4c(cccc4n2)CC3)n1	587212690	UKEDXKNOIRMQFO-UHFFFAOYSA-N	235.290	3.032	0	1	BGAF	
N[C@H]1[C@H]2Cc3cc(-c4ccc(F)cc4)ccc3[C@@H]12	1857536276	NZHXEKCYNRYLOX-XHSDSOJGSA-N	239.293	3.090	0	1	BGAF	
CC(=O)CCC=C(C)CC=CC(C)(C)O	2356461521	KBCMISIPASRHGQ-UHFFFAOYSA-N	210.317	3.019	0	1	BGAF	
CCC[C@]12CCN(C)[C@H](Cc3ccc(O)cc31)C2	5840765	DCCDZLIMIHPDIQ-CZUORRHYSA-N	245.366	3.080	0	1	BGAF	
C[C@H]1c2ccccc2CCN1c1ccncc1	13489833	WTYOQDKELIYOOL-LBPRGKRZSA-N	224.307	3.205	0	1	BGAF	
CCc1ccc(O)c([S@@](=O)c2ccccc2)c1	28761714	QYZYYOOFKXSSQE-QGZVFWFLSA-N	246.331	3.121	0	1	BGAF	
C[C@H]1CC2=Nc3ccccc3N[C@H](C)C2=C(O)O1	101707761	OUEXIBYVSHYPPC-DTWKUNHWSA-N	244.294	3.152	0	1	BGAF	
C[C@@H]1C(=O)c2nc3cccc4c3c(c2[C@@H]1C)CC4	587213103	GLORRRRYONCUSD-BDAKNGLRSA-N	237.302	3.269	0	1	BGAF	
O=Cc1cc2c(cc1-c1ccccc1F)OCO2	1857541104	UPZBTSDPVWFUPU-UHFFFAOYSA-N	244.221	3.034	0	1	BGAF	
CC1(C)O[C@]23[C@@H]1CCC[C@]2(C)CCC[C@]3(C)O	2356428591	QSDDIDRVVWDTTL-REBRKWNGSA-N	238.371	3.275	0	1	BGAF	
c1ccc2c(c1)CC(Cc1ccncc1)C2	13736307	CZYPOFQRPJSQFH-UHFFFAOYSA-N	209.292	3.039	0	1	BGAF	
c1ccc2c(c1)C[C@H]1NC[C@@H]2c2ccccc21	13831940	HWPDIGZXZMCJHZ-JKSUJKDBSA-N	221.303	3.019	0	1	BGAF	
C/C1=C/[C@H](O)C/C(C)=C\[C@H](O)[C@H](C(C)C)CC1	15254055	QNMWLBQJIVQIBA-IJJYFIAVSA-N	238.371	3.057	0	1	BGAF	
Oc1cccc([C@H]2CC[C@H]3CCCCN3C2)c1	25976514	GBPVZNJTTUIKKY-UONOGXRCSA-N	231.339	3.124	0	1	BGAF	in-vivo
N=C(NCc1ccccc1)c1cc2ccccc2[nH]1	28564126	IOWXKORRYSMBEL-UHFFFAOYSA-N	249.317	3.283	0	1	BGAF	
c1ccc2c(c1)O[C@]13CCCC[C@H]1[C@@H]2NCC3	136611853	KCYFTAPCHLTSLC-CFVMTHIKSA-N	229.323	3.042	0	1	BGAF	
N#Cc1cccc(/C=C/c2ccccn2)c1	150122980	HTGUJQDUODSGHP-BQYQJAHWSA-N	206.248	3.124	0	1	BGAF	
CC1=CC=C2C1=C[C@H]1[C@@H](C[C@H]2C)OC(=O)[C@@H]1C	238733337	UFUPDFMFAKLUDE-DMTCVQMQSA-N	230.307	3.017	0	1	BGAF	
Nc1cc(O)nc(/C=C/c2cccc(Cl)c2)c1	1857770796	HIYAODFKOZQFFE-SNAWJCMRSA-N	246.697	3.193	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1C[C@@H](O)[C@@](C)(C1)C2(C)C	2356692623	FJUSPHRLRVCESP-PVZBEVCSSA-N	222.372	3.466	0	1	BGAF	
COC(=O)[C@H]1[C@H](/C=C/c2ccc(F)cc2)C1(C)C	103193856	YFGAUELSBNQERX-YSDIBMRGSA-N	248.297	3.284	0	1	BGAF	
CC(C)[C@@H]1CC[C@H](C)[C@]23CC[C@@](C)(O)[C@H]2[C@@H]13	238762145	KONGRWVLXLWGDV-TVDPOAAXSA-N	222.372	3.466	0	1	BGAF	
CC1(C)[C@H]2CC[C@@]3(C)CCC[C@@](C)(NC=O)[C@@H]3[C@H]21	238782854	KWIBHQYSXXRJRN-QZPUYBJASA-N	249.398	3.364	0	1	BGAF	
CCOCc1ccc(-c2nc3ccccc3[nH]2)o1	586903646	RVRSMEVCFOSYTD-UHFFFAOYSA-N	242.278	3.359	0	1	BGAF	
O=C1CCC[C@H]1c1cc2c3c(cccc3n1)CC2	587213000	FINCHTIEAHYERR-LBPRGKRZSA-N	237.302	3.170	0	1	BGAF	
CCCC/C=C\c1nc2cncc(OC)c2[nH]1	587966056	RKTHDJWEUGMXKQ-SREVYHEPSA-N	231.299	3.170	0	1	BGAF	
COC(C)(C)C=Cc1cc(C(C)=O)ccc1O	2356546221	DOAGZEWHYDYMSW-UHFFFAOYSA-N	234.295	3.033	0	1	BGAF	
C[C@@H]1CN(C)C2(C1)C1CC3CC(C1)CC2C3	3639987	OOQZBYUHLRLZOG-GFSREQAASA-N	219.372	3.153	0	1	BGAF	
Nc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12	49073326	UEXRYENIFBGPGX-UHFFFAOYSA-N	243.697	3.466	0	1	BGAF	
c1ccc(CN2CO[C@H]3CCCCC[C@H]32)cc1	17140737	VYAKLPPTHQZAFD-CABCVRRESA-N	231.339	3.178	0	3	BGAF	
CCN1CCc2ccsc2[C@@H]1C(C)C	28246094	HDKWPALIOLJGEH-NSHDSACASA-N	209.358	3.323	0	1	BGAF	
COc1cccc([C@]23CCCN(C)[C@@H](CC2)C3)c1	169305699	NEKUICGVWOZZFZ-GOEBONIOSA-N	245.366	3.211	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2cccc(O)c2[nH]1	587968199	VYZCOFZUAFARAU-NXEZZACHSA-N	228.295	3.338	0	1	BGAF	
CC1=CC[C@@H]([C@@H](C)CC=CC(C)(C)O)C(=O)C1	2356508639	LPCOTPYTCRTQIU-STQMWFEESA-N	236.355	3.265	0	1	BGAF	
CCC=CC[C@H](CC)[C@H]1C=CN(C)C=C1C(=O)O	2356783684	LWXSDJOSDFNHLY-QWHCGFSZSA-N	249.354	3.413	0	1	BGAF	
CC[C@@H](C)CCN1CCN=C1Nc1ccccc1	36386645	ANAVBPOPMGWMHX-CYBMUJFWSA-N	245.370	3.206	0	3	BGAF	
CC1=CC=C[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	15208010	MUUFCNJBWLIDFJ-GZBFAFLISA-N	230.307	3.161	0	1	BGAF	biogenic
c1nc([C@@H]2C[C@@H]2CCNCC2CCCCC2)c[nH]1	35033875	NESASFDNMLPZIR-UONOGXRCSA-N	247.386	3.073	0	1	BGAF	
Clc1ccc(C2=C[C@H]3CC[C@H](C2)N3)cc1	100358563	QBSBBGLHCMPGNO-CHWSQXEVSA-N	219.715	3.248	0	1	BGAF	in-vivo
CC1=CCC(C)(C)C=C[C@H](O)[C@@]2(C)O[C@H]2CC1	253665417	AXNPQOVZRSRGEF-KCQAQPDRSA-N	236.355	3.217	0	1	BGAF	
COc1cccc(/C=C/c2ccccc2N)c1	653755725	YBSBNIYXBYEJES-MDZDMXLPSA-N	225.291	3.448	0	1	BGAF	
COC(=O)/C=C/c1ccc(O)c(CC=C(C)C)c1	5159006	LZEOAWXRNGQEHO-RMKNXTFCSA-N	246.306	3.087	0	1	BGAF	
C[C@H]1CC[C@@H]2COC(=O)C2=C2CC(C)(C)C[C@H]21	14769141	BQADRYZOMNHMRC-AXFHLTTASA-N	234.339	3.322	0	1	BGAF	
COc1cccc([C@H]2CC[C@H]3CCCCN32)c1	26731018	WSAGBHNJZUJDPU-UKRRQHHQSA-N	231.339	3.385	0	1	BGAF	
Cc1cc(Nc2ccc(C(F)(F)F)cc2)[nH]n1	27102135	WXILLJGDWAKFKY-UHFFFAOYSA-N	241.216	3.481	0	1	BGAF	
Fc1ccc([C@@H]2CC(c3ccoc3)=NO2)cc1	66075078	OZXVNXPXRPGROX-ZDUSSCGKSA-N	231.226	3.284	0	1	BGAF	
CC1=C[C@@H]2O[C@]3(CO)CCC[C@]3(C)[C@]2(C)CC1	257453298	JFZZTCKYMWJCGK-YJNKXOJESA-N	236.355	3.053	0	1	BGAF	endogenous,in-man
COc1cccc2nc(C3=CCCC3)[nH]c12	586883109	HDZYIHZPDOFFCH-UHFFFAOYSA-N	214.268	3.139	0	1	BGAF	
Cc1c(-c2nccn2C)[nH]c2cc(F)ccc12	587636333	WMCXLBGSFCKJDU-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
CC[C@H](C)c1ccc2[nH]c(C(N)=O)c(C)c2c1	587642331	LFRISSZSCOQYPH-QMMMGPOBSA-N	230.311	3.089	0	1	BGAF	
Cc1cc(C)n2c1C=C(c1ccccc1F)C2=O	653745096	AMOBYOBUNXRZMN-UHFFFAOYSA-N	241.265	3.438	0	1	BGAF	
CC[C@@H](C)C(=O)OCC=Cc1ccc(OC)cc1	2356725974	PECSNCQVOXJVQQ-GFCCVEGCSA-N	248.322	3.298	0	1	BGAF	
CCOc1ccccc1-c1ccc2nccn2c1	61930252	FDASNVHZXXTSGS-UHFFFAOYSA-N	238.290	3.400	0	3	BGAF	
C/C(=C/c1nc2cnncc2[nH]1)C1CCCCC1	587966339	CHWLZLXNYNBMKR-YFHOEESVSA-N	242.326	3.337	0	1	BGAF	
CC1=CCC[C@@](C)(O)C=C[C@H](C(C)(C)O)CC1	2356737026	LXGMYEYYXLQGAJ-UKRRQHHQSA-N	238.371	3.201	0	1	BGAF	
CC1(C)[C@@H]2CC[C@@]3(C)[C@H](C=CC[C@@]13O)C2	14409173	OSQSDJNIURJARY-MHDGFBEUSA-N	206.329	3.140	0	1	BGAF	
CCCCc1c(C)oc(=O)c(CCCC)c1O	29489103	MFSWAYMHEVPKDU-UHFFFAOYSA-N	238.327	3.339	0	1	BGAF	
CC[C@H](Cc1ccc(O)cc1)c1ccc(O)cn1	42966540	FDYBANGDFXKEOP-GFCCVEGCSA-N	243.306	3.229	0	1	BGAF	
C/C(=C\C=C\C(C)(C)O)c1ccccc1	299831076	XVEHBNIOMHJLRC-MKICQXMISA-N	202.297	3.417	0	1	BGAF	
CCCC/C=C\c1nc2cccc(C(=O)O)c2[nH]1	587965410	LTIKEIUCBSZAQP-UITAMQMPSA-N	244.294	3.465	0	1	BGAF	
Clc1cncc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587967563	PVUTVKTWXKKBOK-DJLDLDEBSA-N	245.713	3.291	0	1	BGAF	
CC1(C)O[C@]23[C@@H]1CCC[C@]2(C)CCC[C@@]3(C)O	2356428590	QSDDIDRVVWDTTL-NMFUWQPSSA-N	238.371	3.275	0	1	BGAF	
C[C@@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2C	6031857	JBSRPCWYMOJXAM-WQVCFCJDSA-N	245.366	3.154	0	1	BGAF	
Cc1ccc2c(c1)[C@@]1(C)CCC[C@@]1(C)C(=O)O2	15273734	AJPFVAMFLSGCAO-CABCVRRESA-N	230.307	3.362	0	1	BGAF	biogenic
c1ccc(-c2ccc3cccnc3n2)cc1	28826013	SKVWGHJCDNDXAG-UHFFFAOYSA-N	206.248	3.297	0	1	BGAF	in-vivo
CC(C)CCc1cccc2ccc(=O)oc12	29476002	CGBADAZEYCWEPO-UHFFFAOYSA-N	216.280	3.382	0	1	BGAF	
CC1=C[C@]23OC(=O)[C@@H](C)[C@H]2CC[C@H](C)[C@H]3CC1	38351400	SXDUGGRDNCRRHY-RLPMIEJPSA-N	234.339	3.321	0	1	BGAF	
COc1ccc([C@H]2CC(c3ccoc3)=NO2)cc1	66075234	DWIFCHVPUIMXHF-CQSZACIVSA-N	243.262	3.154	0	1	BGAF	
CC1=C(c2ccoc2)C(=O)O/C1=C\C(C)C	1911576876	XKPCXUUVLWQQKT-WDZFZDKYSA-N	218.252	3.150	0	1	BGAF	
CC(=CCC[C@](C)(O)[C@H]1CC=C(C)CC1)CO	2356708105	DRUPYWVNTITDJV-GJZGRUSLSA-N	238.371	3.203	0	1	BGAF	
CCN1[C@H]2CC[C@@H]1[C@@H](c1ccc(Cl)nc1)C2	13556008	JQIIXRVNUHNTBY-QJPTWQEYSA-N	236.746	3.075	0	1	BGAF	
Cc1[nH]c2ncnc(Nc3ccccc3)c2c1C	13756339	CGSZHEPJBCJZLG-UHFFFAOYSA-N	238.294	3.318	0	1	BGAF	
CC(C)=CC[C@]12CCN(C)[C@@H]1Nc1ccccc12	34147214	NCWZIOMMRIPMEA-JKSUJKDBSA-N	242.366	3.368	0	1	BGAF	
CC1(C)CCC[C@@]2(C)[C@H]3C[C@@H]4[C@H]([C@H]31)[C@@]42C(=O)O	238730700	NFPKGQOIPZZCMT-VSYIASFOSA-N	234.339	3.170	0	1	BGAF	
COc1cccc2c1-c1c(O)cccc1CC2	238763510	YVXUYBZMALZYLO-UHFFFAOYSA-N	226.275	3.166	0	1	BGAF	
Cc1ccnc2[nH]c(/C=C/c3ccsc3)nc12	587024818	DJPQECOOZMFAJS-NSCUHMNNSA-N	241.319	3.498	0	1	BGAF	
Cc1ccc2c([nH]c3ccccc32)c1C=O	653852795	DMFMAEDMPAOSTI-UHFFFAOYSA-N	209.248	3.442	0	1	BGAF	
CC[C@H]1c2ccc3ccccc3c2OC[C@@]1(C)N	1857615970	RBHBTBBWGMVKHC-GOEBONIOSA-N	241.334	3.443	0	1	BGAF	
CC1=C[C@@H]2C[C@]3(CCO[C@@H]3O)C(C)(C)[C@@H]2CC1	14713715	QUUFIGWLCXSXAR-CXTNEJHOSA-N	236.355	3.114	0	1	BGAF	biogenic
CCc1c(C)c2cc(N(C)C)ccc2n1C	26493708	GEYSHELVTLOIFY-UHFFFAOYSA-N	216.328	3.115	0	1	BGAF	
CN[C@@]12CC=CC[C@@H]1CSc1ccccc12	29569863	RWUGKZBKPGNVKR-RISCZKNCSA-N	231.364	3.173	0	1	BGAF	
CC1=NN2[C@@H](C1)c1ccccc1CC2(C)C	40392426	VUZXSBAKSGCRPE-ZDUSSCGKSA-N	214.312	3.144	0	1	BGAF	
CCCC/C=C\c1nc2cnccc2[nH]1	587966081	ROPLAMRRXYWESN-WAYWQWQTSA-N	201.273	3.161	0	1	BGAF	
CC1=C[C@@H]2COC(=O)C2=C[C@@H]2CC(C)(C)C[C@H]12	2356730989	SDGDZZUGQPRQHZ-NQBHXWOUSA-N	232.323	3.098	0	1	BGAF	
CCCN(CCC)[C@H]1Cc2ccc(OC)cc2C1	13471361	IZHPDJHRNYGLPC-HNNXBMFYSA-N	247.382	3.284	0	1	BGAF	
Cc1cccc(C)c1C1=CCN(C)CC1	26737409	AKODWPTUHCBVGC-UHFFFAOYSA-N	201.313	3.022	0	1	BGAF	
C[C@@H]1C[C@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	40373668	RWJVTTDOGFCAJS-KNPMLCFXSA-N	229.367	3.229	0	1	BGAF	
Cc1ccc([C@H]2CC=CCNC2)cc1Cl	95583817	YSGVIJFMBOEZJZ-LBPRGKRZSA-N	221.731	3.282	0	1	BGAF	
Oc1cccc(CCc2nc3ccccc3[nH]2)c1	145656247	JRWTVUNUJIISON-UHFFFAOYSA-N	238.290	3.054	0	1	BGAF	
CC(=O)CCC=C(C)[C@@H](O)CC=C(C)C	2356433268	DRPMNCHRRMKIHV-ZDUSSCGKSA-N	210.317	3.019	0	1	BGAF	
C[C@@H]1[C@H](O)CC[C@@]23C[C@H]4[C@@H](C[C@@]12C)[C@@]4(C)C3	2356475795	QACHZVKROYIYIY-ZCXSAGNTSA-N	220.356	3.220	0	1	BGAF	
CCCCCC[C@H](O)CC=CC=CCC(=O)O	2356684684	URAJSOLJUHSVKY-ZDUSSCGKSA-N	240.343	3.295	0	1	BGAF	
O=C1N[C@H]2CCCCC[C@@H]2C12CCCCC2	1619819	PABSYTWLIILZFU-RYUDHWBXSA-N	221.344	3.016	0	1	BGAF	
CN[C@]12CCCC[C@H]1CCc1sccc12	13832001	VNNMGRAPRKCQFK-GXFFZTMASA-N	221.369	3.299	0	1	BGAF	
CC1=C[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H](O)CC1=O	14416916	URGWVRXTUFMUJH-IPYPFGDCSA-N	236.355	3.099	0	1	BGAF	biogenic
CC1=C2C[C@@H]3[C@H](C[C@H](C)[C@@H]2CC1)OC(=O)[C@H]3C	15264528	QAOTVNIYGMUCEE-GRLWGSQLSA-N	234.339	3.321	0	1	BGAF	biogenic
Cc1ccccc1-c1nc(CN2CCCC2)co1	72103168	AELGDYHBIUYNMS-UHFFFAOYSA-N	242.322	3.246	0	1	BGAF	
FC[C@H](F)[C@H](F)Cc1c[nH]c2ccccc12	473148708	HEZVKGFLRRSCEA-MNOVXSKESA-N	227.229	3.356	0	1	BGAF	
Fc1cnc2[nH]c(C3(F)CCCCC3)nc2c1	587132585	STQMLZYIUYLRHQ-UHFFFAOYSA-N	237.253	3.226	0	1	BGAF	
CCC[C@@H](c1nc2ccnc(O)c2[nH]1)C(C)C	587956205	OFJNTAHPGSOANE-SECBINFHSA-N	233.315	3.203	0	1	BGAF	
COc1cccc(/C=C/c2cccnc2)c1	653694251	YGVHWVKESVMAHT-BQYQJAHWSA-N	211.264	3.261	0	1	BGAF	
CN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@@H]1C2	27656882	ZTAVWHFBEHNKCY-LNSITVRQSA-N	213.324	3.088	0	1	BGAF	
c1ccc2c(c1)C[C@@H]1CN[C@H]2c2ccccc21	31596845	WJBGPJTZOSLZQG-MLGOLLRUSA-N	221.303	3.019	0	1	BGAF	
CC(C)[C@@H]1CC(=O)c2coc3c2[C@H]1C[C@@H](C)[C@H]3O	59585955	VIULXZNWHKRQPB-MAGOMRGPSA-N	248.322	3.295	0	1	BGAF	biogenic,in-vitro
C[C@H](F)[C@@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1	587123205	HZGNISFIDZOZMS-QPUJVOFHSA-N	249.333	3.218	0	1	BGAF	
c1cc2c3c(c(Cc4ccncc4)cnc3c1)CC2	587211305	COMNXMURNMVBNN-UHFFFAOYSA-N	246.313	3.319	0	1	BGAF	
N[C@@H]1[C@H]2Cc3cc(-c4ccc(F)cc4)ccc3[C@H]21	1857536796	NZHXEKCYNRYLOX-ARFHVFGLSA-N	239.293	3.090	0	1	BGAF	
CCCC(=O)C[C@H](C)[C@H]1C=C[C@](C)(O)CC1	2356846907	ORURTTPKMLIRJU-OBJOEFQTSA-N	224.344	3.099	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@@]1(O)CCC(C)=CC1=O	5662811	QCLWFRYXYGDIEZ-HIFRSBDPSA-N	236.355	3.409	0	1	BGAF	biogenic
c1ccc(C2=NC[C@@H](c3ccccc3)O2)cc1	13460486	AORHJOUBDGUERJ-AWEZNQCLSA-N	223.275	3.205	0	1	BGAF	biogenic
C/C=C1\[C@@H]2C=C(C)C[C@@]1(F)c1ccc(=O)[nH]c1C2	26174596	KBXWALUGKCDAGK-JRYCNTDSSA-N	245.297	3.008	0	1	BGAF	
Clc1ccc(C2=CC=[N+](C3CC3)CC2)cc1	27193161	KKOUGYGDEFNQPG-UHFFFAOYSA-N	232.734	3.373	0	1	BGAF	
CC1(C)CCC[C@]2(C)CC(=O)C[C@](C)(O)C[C@H]12	85874298	SZYNCHLMEWFVDG-YUELXQCFSA-N	238.371	3.323	0	1	BGAF	
C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)C[C@H]4C[C@@]4(C)[C@@H]3C[C@@H]21	238731085	SBAMSVPJQFNYQW-NIIHLSIHSA-N	234.339	3.010	0	1	BGAF	
Sc1cc2ccc(Br)cc2[nH]1	957884004	SXVYWKTXCZMFDY-UHFFFAOYSA-N	228.114	3.219	0	1	BGAF	
Clc1cccc(NN2C=N[C@@H]3CCCC[C@H]32)c1	29323574	UYLVNEVDYCJBFI-CHWSQXEVSA-N	249.745	3.322	0	1	BGAF	
CC(C)[C@]12CC[C@@](C)(O1)[C@H]1C(=O)C[C@@H](C)[C@@H]1C2	257399408	CSLBUZGPLRECOR-OBRUSBNWSA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
CC(C)=CCC[C@@]1(C)O[C@@]2(C)CC[C@H]1C[C@@H]2O	257730028	YXKYEDPZIRLAKN-XQLPTFJDSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
CC(C)c1cc2[nH]c(C(=O)O)cc2cc1F	1772579266	IPRWKWXJWCFJDP-UHFFFAOYSA-N	221.231	3.129	0	1	BGAF	
CCC=CC[C@H]1CC(=O)C[C@H]1CCCC(=O)O	2356573973	IIQIFLGVPCPTRP-NWDGAFQWSA-N	238.327	3.193	0	1	BGAF	
CN1C[C@H]2CC[C@@H](C1)C2c1ccc(Cl)cc1	13494196	QIAUIJSQWFLUGV-ONXXMXGDSA-N	235.758	3.395	0	1	BGAF	
C=C1C(=O)O[C@@H]2C[C@]3(C)CCCC(C)=C3C=C12	15208076	BYOSLFDXLVEURJ-HIFRSBDPSA-N	230.307	3.305	0	1	BGAF	biogenic
COc1ccc([C@H]2C3CCC(CC3)[C@H]2CN)cc1	28011868	UHORERNNJNTEOU-DCNYZXSGSA-N	245.366	3.174	0	1	BGAF	
CCOc1ccc(-c2nc3ncccc3o2)cc1	28814905	ASGLVGNGUNEVNF-UHFFFAOYSA-N	240.262	3.289	0	1	BGAF	
C=C/C=C/CCCCCCC[C@H](O)[C@H](C)N	34360985	PDPUNMLGRNINFK-CTXXGXLOSA-N	225.376	3.167	0	1	BGAF	
Cc1ccc2c(c1)O[C@@H](c1cccnc1)CC2=O	34458114	OHZXYKNCJFVELN-CQSZACIVSA-N	239.274	3.097	0	1	BGAF	
C/C=C/C=C\CCc1c(O)ccc(O)c1COC	238758849	VIRRSSOWRCQPPA-ICWBMWKASA-N	248.322	3.309	0	1	BGAF	
Cn1c(-c2cscn2)nc2c(Cl)cccc21	1857605457	RTIJLXGZHABDKG-UHFFFAOYSA-N	249.726	3.350	0	1	BGAF	
CC1=C[C@@H]2C3=C(C)C(=O)OC3=C[C@H](C)[C@@H]2CC1	2356288040	URQSHIUUUUGZPU-DLOVCJGASA-N	230.307	3.366	0	1	BGAF	
CC(C)CC=C1OC(=O)c2ccccc21	2356321066	LLCYNDRFWDIIQS-UHFFFAOYSA-N	202.253	3.244	0	1	BGAF	
C/C1=C/CCC2=C[C@H](OC2=O)c2c(C)coc2C1	13532017	LWCKQMHMTSRRAA-PRUHKGEBSA-N	244.290	3.395	0	1	BGAF	
CC(C)[C@@H]1CCC2=CC(=O)C[C@@](C)(O)[C@@]2(C)C1	15200773	OJDVMTKOUGIONZ-BYCMXARLSA-N	236.355	3.099	0	1	BGAF	biogenic
C[C@@H]1CC(c2ccoc2)=C[C@@]2(C1)C[C@@H](C)C(=O)O2	15221800	YDUFVPKWFQXSAZ-UEKVPHQBSA-N	246.306	3.415	0	1	BGAF	biogenic
CN1CCc2ccc(Cl)c3c2[C@H](CCC3)C1	27713974	JMKKCTPTLYGDIG-LLVKDONJSA-N	235.758	3.248	0	1	BGAF	
COc1cc(/C=C/CO)ccc1OCC=C(C)C	28974937	JVHWAXVDBZHERR-SNAWJCMRSA-N	248.322	3.046	0	1	BGAF	
CO[C@H](c1cccnc1)C(C)(C)c1cccnc1	29551983	NIZJKWCUCWIETQ-CQSZACIVSA-N	242.322	3.142	0	1	BGAF	in-vivo
c1ccc(-c2ccc(N3CCOCC3)cc2)cc1	34558217	OOQKNFIEEJFVKS-UHFFFAOYSA-N	239.318	3.190	0	1	BGAF	
c1coc(-c2nc(CNC3CCCCC3)co2)c1	72183798	FRNVJHDXCABBGA-UHFFFAOYSA-N	246.310	3.357	0	1	BGAF	
Cc1ccc([C@@H]2COc3ccccc3C2=O)cc1	84632259	CKZDVTPWOZRRRF-AWEZNQCLSA-N	238.286	3.354	0	1	BGAF	
COc1cccc(-c2cncn2C(C)C)c1	103177394	YVLNXAXMPKNZNM-UHFFFAOYSA-N	216.284	3.140	0	1	BGAF	
Cc1[nH]nc(C2CC2)c1-c1ccc2c[nH]nc2c1	1857751119	DADQMTBAHXLZHV-UHFFFAOYSA-N	238.294	3.139	0	1	BGAF	
CCCCC[C@H](O)C=C[Si](C)(C)C	2356746832	UIYNJHZMMWSTOI-NSHDSACASA-N	200.398	3.361	0	1	BGAF	
CC[C@H]1OC(=O)c2c1ccc1ccoc21	13406697	NPJOJMUVGGLVJT-SECBINFHSA-N	202.209	3.054	0	1	BGAF	biogenic
COc1ccc2c(c1)[nH]c1ccc(C=O)cc12	14445242	IBDBRUPJUXYODT-UHFFFAOYSA-N	225.247	3.142	0	1	BGAF	biogenic
CC(C)=CCC[C@@H](C)[C@@H]1C[C@@H](O)C(C)=C[C@@H]1O	14859831	FPSDOHYYKFXKFR-BEAPCOKYSA-N	238.371	3.057	0	1	BGAF	endogenous,in-man
CC1(C)CCC[C@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@H]3O	15148126	FCSNZJLUQLZSBW-BHPKHCPMSA-N	236.355	3.114	0	1	BGAF	biogenic
CCc1ccc(O)c([C@@H](O)c2ccccc2)c1	28761488	JUWQWDKXUMUDFG-HNNXBMFYSA-N	228.291	3.036	0	1	BGAF	
Cc1cc(-c2ccc(CO)cc2)cc(C)c1O	29463729	QWDUCBUIVFFWEP-UHFFFAOYSA-N	228.291	3.168	0	1	BGAF	
Cc1ccccc1-c1cccc2nccn12	63539573	KKBGOEDJXYSSBS-UHFFFAOYSA-N	208.264	3.310	0	1	BGAF	
CC1(C)CC=C[C@]2(C)O[C@@]3(C)CC[C@]12O3	100825895	QXHORPLJTIHQGR-XQQFMLRXSA-N	208.301	3.027	0	1	BGAF	endogenous,in-man
c1ccc2c(c1)OCCn1c-2nc2ccccc21	168239170	HDIMVTMIRXVGCF-UHFFFAOYSA-N	236.274	3.096	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(O)cc2[nH]1	586887325	FZZZIKUEQJUBKT-NOZJJQNGSA-N	216.284	3.172	0	1	BGAF	
Cc1cnn(-c2c(C)[nH]c3cc(F)ccc23)c1	587636290	UZBULQDRCSJGFZ-UHFFFAOYSA-N	229.258	3.110	0	1	BGAF	
c1ccc(CN2CO[C@@H]3CCCCC[C@H]32)cc1	1585000	VYAKLPPTHQZAFD-HUUCEWRRSA-N	231.339	3.178	0	3	BGAF	
Cc1cccc2oc(=O)c3c(c12)OC(C)(C)C=C3	13378819	NMHATOSACVYKOU-UHFFFAOYSA-N	242.274	3.286	0	1	BGAF	biogenic
CC(C)(C(=O)OC1CCCCC1)c1ccncc1	26819309	KEEFXNAGBDWRRT-UHFFFAOYSA-N	247.338	3.235	0	1	BGAF	
O=C1O[C@@H]2CC=CC[C@H]2[C@@H]1Sc1ccccc1	40420304	VHVFUVAZHGSGCT-UPJWGTAASA-N	246.331	3.039	0	1	BGAF	
CCOC(=O)/C=C/[C@H](C)CCC=C(C)C	26719312	BFRVWUBZABBEFX-BZYZDCJZSA-N	210.317	3.488	0	1	BGAF	
CN[C@H]1Cc2ccccc2[C@H](c2ccccc2)C1	26834745	HLOCJJORRHQDKS-RDJZCZTQSA-N	237.346	3.353	0	1	BGAF	in-vivo
Cc1ccc(OCC(C)C)c([C@H]2C[C@@H]2CN)c1	84617128	KGNOWXSKMMZSHS-OLZOCXBDSA-N	233.355	3.092	0	1	BGAF	
Cc1cc(F)ccc1NC1=N[C@@H](C)CC1	143145339	ZQADVUDRBBZKEN-VIFPVBQESA-N	206.264	3.127	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3C(=O)OCC3=CC[C@H]12	247996760	BQNSBENKJCLJGN-XUJVJEKNSA-N	234.339	3.322	0	1	BGAF	
CCCCCn1cc(-c2ccccc2)[nH]c1=N	584905619	NTJHSIKKNQRLPN-UHFFFAOYSA-N	229.327	3.153	0	1	BGAF	in-vitro
C[C@@H]1CCC=C(C=O)[C@]12CC[C@H](C(C)(C)O)C2	6030790	OKBGEROEGQDLFK-XUJVJEKNSA-N	236.355	3.099	0	1	BGAF	biogenic
Oc1ccc2c(c1)C[C@@H](Cc1ccncc1)CC2	13736366	DELFRHFKJCAOCF-CYBMUJFWSA-N	239.318	3.135	0	1	BGAF	
N=C(N)c1ccc2[nH]c(-c3ccccc3)cc2c1	28764904	SMRYKYHBQOCNFW-UHFFFAOYSA-N	235.290	3.119	0	1	BGAF	
CN1CCC[C@@]2(c3ccccc3)CC[C@@H]1C2	29309010	WFBUWXFIWMCECC-HUUCEWRRSA-N	215.340	3.203	0	1	BGAF	
CCCCc1nc2c(N)nc3ccccc3c2o1	38813693	XGNXMXDDPAAWFU-UHFFFAOYSA-N	241.294	3.301	0	1	BGAF	in-vitro
CC1(C)C[C@H]1c1[nH]c2ccccc2c1C=O	2356325739	ZQLVSTSSSSJZFX-NSHDSACASA-N	213.280	3.494	0	1	BGAF	
CCC[C@@H]1CCC[C@@H]2CC[C@@H](CCCCO)N12	14616396	AUZXYZYSHDCEQZ-RBSFLKMASA-N	239.403	3.335	0	1	BGAF	biogenic
O=C(O)c1ccc(/C=C/c2ccc(O)cc2)cc1	33847640	OCQXHCJFSAZJGC-OWOJBTEDSA-N	240.258	3.261	0	1	BGAF	
C[C@H]1C[C@@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	100803229	RWJVTTDOGFCAJS-GVAFMPQTSA-N	229.367	3.229	0	1	BGAF	
C/C1=C\CC/C(C(=O)O)=C\Cc2c(C)coc2C1	205411925	MQTBVBAENOJOHV-PHFXQHTASA-N	246.306	3.424	0	1	BGAF	
CC1=CC[C@H]2[C@H]3[C@H](C(C)C)[C@H](O)C[C@@]2(C)[C@@H]13	257390696	BVCNHEVITXGCEP-VRPMWHRCSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
CC/C=C\C[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587406798	VLICMLQIJIOPBT-DOGVGXBMSA-N	245.322	3.267	0	1	BGAF	
C[C@@H]1Cc2ncccc2[C@@H](C[C@H]2CCCCN2)C1	2356752826	VATUXNUGMFWXDH-BFHYXJOUSA-N	244.382	3.280	0	1	BGAF	
Oc1ccc2oc(-c3ccc(O)c(F)c3)nc2c1	13583619	GOGMBKCQZDIOLM-UHFFFAOYSA-N	245.209	3.045	0	1	BGAF	in-vivo
C[C@@H]1CCCC2=CC(=O)[C@H](C(C)(C)O)C[C@]21C	14450831	LMUKBFXUVUGBAF-HCKVZZMMSA-N	236.355	3.099	0	1	BGAF	biogenic
c1ccc(-c2cccc(Cc3c[nH]cn3)c2)nc1	14979043	KNNVBHWBIFXMDF-UHFFFAOYSA-N	235.290	3.063	0	1	BGAF	
O=C(c1ccccc1)n1cc(O)c2ccccc21	81147554	JDFIINWLCIARDQ-UHFFFAOYSA-N	237.258	3.035	0	1	BGAF	
NO[C@H](c1ccccc1)C1CCCCC1	116424322	ZPMGLJJOJGXHQX-CYBMUJFWSA-N	205.301	3.198	0	1	BGAF	
Fc1cc(Cl)cc2nc(CC3CC3)[nH]c12	587960261	XHHKCQBRHNLXGH-UHFFFAOYSA-N	224.666	3.308	0	1	BGAF	
CC(C)[C@H]1C[C@@]2(C)[C@H]3CC[C@](C)(NC=O)[C@H]2C[C@H]31	2356395387	PDLPLWDSKGNXJE-KARBZBNUSA-N	249.398	3.219	0	1	BGAF	
CC1=C[C@@H]2Cc3ccoc3C(C)(C)[C@H]2C[C@H]1O	2356799097	TZMNNHGZFZBUOZ-FRRDWIJNSA-N	232.323	3.057	0	1	BGAF	
C[C]1C=CN(CC(=O)c2ccc(Cl)cc2)C=C1	2356811226	JOTYYUBSJPYJML-UHFFFAOYSA-N	246.717	3.460	0	1	BGAF	
CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@](C)(O)[C@@H]1C	14594108	ZBJPVPFEDGYYBD-BARDWOONSA-N	240.387	3.281	0	1	BGAF	
S=c1c2c(nc3n1CCCCC3)CCCC2	29329988	GDRHWPCDVGACDN-UHFFFAOYSA-N	234.368	3.218	0	1	BGAF	
c1ccc2c(c1)C[C@H]1NCC[C@@]23CCCC[C@@H]13	32255113	INAXVFBXDYWQFN-XHSDSOJGSA-N	227.351	3.033	0	1	BGAF	in-vitro
Cc1ccc(F)c2[nH]c3c(c12)C[C@@H](N(C)C)CC3	39214037	BLPGSUIKVFOSCB-JTQLQIEISA-N	246.329	3.034	0	1	BGAF	
CC1=CC2=C(C[C@@H]3CC(C)(C)C[C@H]13)C(=O)OC2	2356376411	SPRTUTBFXHYHOO-ZWNOBZJWSA-N	232.323	3.242	0	1	BGAF	
Cc1cc2c(cc1O)[C@@]1(C)CCC(=O)C[C@@H]1CC2	2356586495	CBDLZRQBPRHLPM-LRDDRELGSA-N	244.334	3.274	0	1	BGAF	
c1csc(CNC23C[C@@H]4CC2C[C@@H](C4)C3)c1	40979654	NDQGLSWMMRANBN-KCXRBIIJSA-N	233.380	3.416	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)CCC[C@](C)(O)[C@@]2(O)C1	238750769	WAZNECYIZXVFKE-CBBWQLFWSA-N	240.387	3.115	0	1	BGAF	
OCCCC[C@H](O)c1ccc(Cl)c(Cl)c1	1857758085	CSXLYXAWUDUQAO-NSHDSACASA-N	249.137	3.189	0	1	BGAF	
CC1=CC[C@H]2[C@H](OC(=O)C(C)C)[C@H]1C2(C)C	2356376217	OSMPHXXLRXFVBK-SRVKXCTJSA-N	222.328	3.176	0	1	BGAF	
C[C@H]1CC[C@@H]2C(C)(C)[C@@H]3C[C@]12CC=C3CO	13384347	FUZABTYGEVJEPT-XTWPYSKKSA-N	220.356	3.387	0	1	BGAF	
CC1(C)CCC[C@]2(C)C3=C(C=C[C@H]12)C(=O)OC3	15148142	IQJQVMRLNOWNDT-IUODEOHRSA-N	232.323	3.242	0	1	BGAF	biogenic
C=Cc1nccc2c1[nH]c1c(OC)cccc12	42920587	RIONCGSMVMMSPJ-UHFFFAOYSA-N	224.263	3.368	0	1	BGAF	
CC(C)(Cl)c1nc2c(F)cccc2[nH]1	115299291	ACTOKKNXJSDIGB-UHFFFAOYSA-N	212.655	3.176	0	1	BGAF	
Fc1ccc(S)cc1-c1nc2cccnc2[nH]1	587143164	YSJHLNJXARKXAM-UHFFFAOYSA-N	245.282	3.053	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2cccnc2[nH]1	587971002	QIMNFEXLWANXCC-NXEZZACHSA-N	213.284	3.028	0	1	BGAF	
COc1cccc([C@@]23CCC[C@@H](C2)N(C)[C@H]3C)c1	5752296	ABGHQNTZMBFYIR-NOLJZWGESA-N	245.366	3.210	0	1	BGAF	
COc1ccc(CC(=O)O)cc1-c1ccsc1	584905248	JRNVDXIGCSDEEN-UHFFFAOYSA-N	248.303	3.051	0	1	BGAF	in-vitro
COc1cc2c3c(cccc3c1)O[C@@H](C)C2	14885010	QMFJRJVAWNHPDK-VIFPVBQESA-N	214.264	3.172	0	1	BGAF	biogenic
CC1(C)OC(=O)Nc2ccc(-c3ccc[nH]3)cc21	26273104	SMKZYKBPVNAOJL-UHFFFAOYSA-N	242.278	3.479	0	1	BGAF	
N[C@H]1[C@H]2CC[C@@H]1Cc1cc(C(F)(F)F)ccc12	26294576	WOHWQAPSLJHLKN-VSYUYLJXSA-N	241.256	3.082	0	1	BGAF	
CN1Cc2ccccc2[C@@H](c2cccs2)C1	34454092	HFAXMKVVLFVHBE-ZDUSSCGKSA-N	229.348	3.325	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2cccc(O)c2[nH]1	586885724	AAYJXZKIEKIJSA-OQPBUACISA-N	216.284	3.172	0	1	BGAF	
Cc1c(F)ccc2nc(COC(F)(F)F)[nH]c12	587125142	QHWZMYRCXXEYRV-UHFFFAOYSA-N	248.179	3.047	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@H](C2)C(=O)CC[C@H]1C	15220977	MHEQQQWHNMVBFL-HCKVZZMMSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
CC[C@@]1(C)C[C@H]1c1nc2ccc(OC)cc2[nH]1	586885840	AHIUHMIFOVRLLW-HZMBPMFUSA-N	230.311	3.475	0	1	BGAF	
c1ccc(-c2c[nH]c(-c3ccncc3)n2)cc1	13553740	ALTJKNQLXJJFCN-UHFFFAOYSA-N	221.263	3.139	0	1	BGAF	
Cc1c([C@@](C)(O)C(F)(F)F)[nH]c2ccccc12	13649239	URRNGCUHUVHQMN-LLVKDONJSA-N	243.228	3.246	0	1	BGAF	
Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1C	13780163	RSEXIUPHAVGKPO-GHXNOFRVSA-N	238.290	3.124	0	1	BGAF	
C1=N[C@H](c2ccccc2)Cc2ccccc2N1	27092133	YXYCLARWQZIXDL-HNNXBMFYSA-N	222.291	3.424	0	1	BGAF	
CN[C@@]12CCCC[C@H]1CSc1ccccc12	29568999	YRHAAMNUSVMHDY-FZMZJTMJSA-N	233.380	3.397	0	1	BGAF	
CCN(CC)C12C[C@H]3C[C@H](CC(CC)(C3)O1)C2	40380761	KGDKJEMGFLSUBU-DGKWVBSXSA-N	237.387	3.414	0	1	BGAF	
Fc1cccc(C2=NO[C@H]3CCCC[C@H]23)c1	95575567	PKWQJBJHZHZWHD-RYUDHWBXSA-N	219.259	3.119	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)[C@H]3CC[C@H]12	166349547	UQUIQVFHSGQDRL-UUIJZJDISA-N	236.355	3.402	0	1	BGAF	
C/C(C(=O)NC1CC1)=C(\C)c1ccc(C)cc1	169343286	JOIMPRSUCZTHEI-QXMHVHEDSA-N	229.323	3.067	0	1	BGAF	
CC1(C)CCC[C@@]2(C)[C@H]1C=C[C@H]1C(=O)OC[C@H]12	2356713529	LWPYNNASMDSKKZ-MCYUEQNJSA-N	234.339	3.178	0	1	BGAF	
C[C@@H]1CN(CC2=CC[C@H]3C[C@@H]2C3(C)C)C[C@@H](C)O1	23281920	FRFGTRYRIUTDCX-UXOAXIEHSA-N	249.398	3.088	0	1	BGAF	
N[C@@H]1C[C@H]2C[C@@H]1c1cc(C(F)(F)F)ccc12	26291682	TUVADWWHSVEAFL-DIMCTHFVSA-N	227.229	3.007	0	1	BGAF	
CN1CC[C@]2(c3ccccc3)CCCC[C@H]2C1	27637997	ZVUPIZCQKCQXCR-HOTGVXAUSA-N	229.367	3.450	0	1	BGAF	
CC(C)c1cc2c(=O)n(C)c3ccccc3c2o1	28253327	ZYJYYWJRODEMIC-UHFFFAOYSA-N	241.290	3.408	0	1	BGAF	
COc1nc(-c2cccs2)c2sccc2n1	29048309	AWFQBTPSFUTIDF-UHFFFAOYSA-N	248.332	3.428	0	1	BGAF	
O=C1N[C@@H]2CCCCC[C@H]2C12CCCCC2	1619816	PABSYTWLIILZFU-VXGBXAGGSA-N	221.344	3.016	0	1	BGAF	
CC1=C[C@@H]2C[C@@]3(C=COC3=O)C(C)(C)[C@@H]2CC1	15273504	HWHSQYHUXOMAFF-LALPHHSUSA-N	232.323	3.446	0	1	BGAF	biogenic
CCn1nc(C)c2cc3c(C)nn(CC)c3cc21	26170673	QVHWUSWEOVUURJ-UHFFFAOYSA-N	242.326	3.043	0	1	BGAF	
CCCN(CC1CC1)c1nc(C)cc(Cl)n1	38272635	TUYIROYFRQDLTR-UHFFFAOYSA-N	239.750	3.065	0	1	BGAF	
CC(C)=CCC[C@]1(C)O[C@]2(C)CC[C@@H]1C[C@H]2O	104374498	YXKYEDPZIRLAKN-APIJFGDWSA-N	238.371	3.441	0	1	BGAF	in-man
F[C@H]1C2=C(SC1(F)F)[C@@H]1CC[C@@H]2C1	195496316	BNWKOGOFYDNKHF-LRMHIPNDSA-N	206.232	3.348	0	1	BGAF	
C/C=C\C=C/C=C1/C=C[C@@]2(CCCCO2)O1	238778546	TYODKWRJEBJDRL-LXZQFXIKSA-N	218.296	3.486	0	1	BGAF	
CCCCCN1CC[C@H](c2cccc(O)c2)C1	1857759273	UXQSBUSPGKCLJW-AWEZNQCLSA-N	233.355	3.372	0	1	BGAF	
Cc1cnccc1-c1cnn(-c2ccccc2)c1	84615284	DZPYYQRAEYNYEH-UHFFFAOYSA-N	235.290	3.243	0	1	BGAF	
Oc1cccc2c1CC[C@H]1[C@@H](c3ccncc3)[C@H]21	100025649	GHVIXHADLSTRNY-NUEKZKHPSA-N	237.302	3.231	0	1	BGAF	
C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](C)[C@H]3C[C@@]21C	523041612	BEVXVUGJENXHIT-KHBBOIOASA-N	234.339	3.321	0	1	BGAF	biogenic
Cc1c(-c2ccn(C)n2)[nH]c2cccc(F)c12	587635183	DYCRMKYVIZHOJC-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
Fc1ccccc1-c1cnc(S)s1	1772607798	JSISZLMRVFVVIC-UHFFFAOYSA-N	211.286	3.238	0	1	BGAF	
c1ccc2c(c1)Cc1cccc3[nH]nc-2c13	1857562217	SLMJDPXFWRYMLU-UHFFFAOYSA-N	206.248	3.134	0	1	BGAF	
Cc1cccc(C(=O)n2nc(C)c(Cl)c2C)c1	1857656772	LEXOESGVGRGFHO-UHFFFAOYSA-N	248.713	3.150	0	1	BGAF	
c1ccc2[nH]c(-c3nc4cccnc4[nH]3)cc2c1	1857746974	INLKPGABURWSBO-UHFFFAOYSA-N	234.262	3.106	0	1	BGAF	
CC=CCCC=CC=CC(=O)NCC(C)C	2356756284	OCUXKVCDBHKIIP-UHFFFAOYSA-N	221.344	3.227	0	1	BGAF	
COc1c(Cl)ccc2c1CC[C@H]2c1ncc[nH]1	29046255	WOZZEGNZSHRTMV-SNVBAGLBSA-N	248.713	3.150	0	1	BGAF	
Cc1oncc1-c1cc2c3c(cccc3n1)CC2	587211046	BKKUHEALBHTOFJ-UHFFFAOYSA-N	236.274	3.297	0	1	BGAF	
Cn1c(-c2cscn2)nc2cc(Cl)ccc21	1250664295	ACLAAWJKRDNGAN-UHFFFAOYSA-N	249.726	3.350	0	1	BGAF	
CC(C)=CCc1ccc2c(C=O)c[nH]c2c1	2356341430	OXRNZMFIWMUANZ-UHFFFAOYSA-N	213.280	3.489	0	1	BGAF	
CC1=C[C@@H]2[C@H](C=CC[C@H]2C(C)C)C[C@@H]1O	2356794746	LJDAGECYYBEJHA-RQJABVFESA-N	206.329	3.162	0	1	BGAF	
C[C@@H]1CC=C2[C@@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C	13372964	RMMXVRYYNCFLLS-BJEMGHAFSA-N	220.356	3.386	0	1	BGAF	biogenic
Cc1cc(F)cc(-c2ncc3cccnc3n2)c1	28826522	QGRRBYUSQMHXCS-UHFFFAOYSA-N	239.253	3.139	0	1	BGAF	
CN1C[C@@H]2c3ccccc3[C@@H]1[C@@H]1CCC[C@H]21	169369353	SYUCGKZXQQTLMH-ZGKBOVNRSA-N	213.324	3.187	0	1	BGAF	
O=NC=C1C=CC=CN1Cc1cccs1	1857614354	FDFLIUJFUFRMRX-UHFFFAOYSA-N	218.281	3.241	0	1	BGAF	
Cc1cn(Nc2ccncc2F)c2ccccc12	138495345	TWBAZCSQSDRRLC-UHFFFAOYSA-N	241.269	3.359	0	1	BGAF	
N#Cc1ccc(CCc2cccc(C#N)c2)cc1	222676512	BXFPHKFWHDFWAO-UHFFFAOYSA-N	232.286	3.215	0	1	BGAF	
C[C@@H]1CC(=O)[C@@H]2[C@@H]1C[C@H]1CC[C@]2(C)OC1(C)C	238742426	LHBPDIBQKHRLTR-FHEMJXCISA-N	236.355	3.195	0	1	BGAF	
CCCC[C@@H]1CC[C@@H](c2cccnc2)N1C	13738870	AJQBCKYPIGCEIM-KGLIPLIRSA-N	218.344	3.407	0	1	BGAF	
CC(C)CCOc1cccc2ccc(N)nc12	28385354	RGLJKEQVQXDAIT-UHFFFAOYSA-N	230.311	3.242	0	1	BGAF	in-vivo
CCc1nc(-c2ccccn2)c2sccc2n1	29048162	RJLBQJZGTPMDPY-UHFFFAOYSA-N	241.319	3.316	0	1	BGAF	in-vivo
CNc1ccc(/C=C/c2ccc(N)cc2)cc1	40943063	LSXVZFZGGWPTSL-NSCUHMNNSA-N	224.307	3.481	0	1	BGAF	
COc1ccc([C@]23CCCC[C@H]2CN(C)C3)cc1	72112080	GVWVNROHWPGGAQ-GOEBONIOSA-N	245.366	3.069	0	1	BGAF	
Clc1cc(C2=NOCc3ccccc32)ccn1	103188636	CWZFXZBOAMJMFY-UHFFFAOYSA-N	244.681	3.018	0	1	BGAF	
CCn1cncc1-c1c[nH]c2ccc(F)c(F)c12	1857601410	QAGVKVGTJPJOPP-UHFFFAOYSA-N	247.248	3.330	0	1	BGAF	
c1cc2c(s1)-c1sccc1C21OCCO1	1647093	BCGOAEVQIBPZCC-UHFFFAOYSA-N	236.317	3.038	0	1	BGAF	
N[C@H]1[C@@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc12	100821110	QFRCSJBYSNCGPY-KKZNHRDASA-N	227.229	3.007	0	1	BGAF	
Clc1ccc2cc3c(cc2n1)[C@H]1CNC[C@H]3C1	101033329	SRJJMFYWQLESEK-NXEZZACHSA-N	244.725	3.062	0	1	BGAF	
CCCOCC[C@@H]1CC=C[C@@H]1OCCC	103213371	UUOBBYAFNLUVOP-STQMWFEESA-N	212.333	3.174	0	1	BGAF	
CCCCOC(=O)CCCCCCCCO	220721820	MJMGJZXOXINNEP-UHFFFAOYSA-N	230.348	3.053	0	1	BGAF	
CCCCC/C=C(/C(=O)O)[C@@H](C)C(=O)CC	238786438	HXNJREREBYTEGW-OYVNLZQHSA-N	226.316	3.193	0	1	BGAF	
CC/C=C\C[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587406800	VLICMLQIJIOPBT-WYGGZMRJSA-N	245.322	3.267	0	1	BGAF	
C[C@@H]1C[C@@]23[C@H]4CCCN2CCC[C@@]3(CCC4=O)C1	6066742	RVZXICZITJIXKD-UGQVUOCMSA-N	247.382	3.010	0	1	BGAF	in-vitro
CCCC/C=C/c1c(OC)cc(C)oc1=O	26643502	SGKMRCPKSDPGBO-BQYQJAHWSA-N	222.284	3.160	0	1	BGAF	
Cc1cc2ccc(=O)oc2c2c(C)coc12	28017762	BYQGTFHDFUYLOW-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
Fc1ccc2nc(-c3cccnc3)ccc2c1	95576232	VRAJYYWVOKKUIM-UHFFFAOYSA-N	224.238	3.436	0	1	BGAF	
COC(=O)c1ccc2n1C1C[C@H]3CC2C[C@H](C1)C3	102979420	MRWCFDRJSCBATG-QYNFOATHSA-N	245.322	3.123	0	1	BGAF	
Cc1[nH]c2c(C)cc(Cl)cc2c1CN(C)C	587624508	KUEOFJSMMSNFDL-UHFFFAOYSA-N	236.746	3.500	0	1	BGAF	
CC[C@@H](C)Oc1cc(C(N)=O)cc2ccccc12	1772648529	BHLWLJNICJCXSK-SNVBAGLBSA-N	243.306	3.116	0	1	BGAF	
OCC[C@@H]1CCC[C@H](c2ccc(O)cc2)CC1	1857769918	ZOGLPNHOAMLKAP-OLZOCXBDSA-N	234.339	3.439	0	1	BGAF	
CCCCn1cncc1-c1cccc(OC)c1	1911578322	OPRJJQCGQYHSNW-UHFFFAOYSA-N	230.311	3.359	0	1	BGAF	
O=C1OCc2cc(-c3ccccc3F)ccc21	96018434	YWBKLUMDSHFPEH-UHFFFAOYSA-N	228.222	3.163	0	3	BGAF	
CC(C)c1cnc(Oc2ccccc2)cn1	26674375	XVCKUKSMCQDFDW-UHFFFAOYSA-N	214.268	3.392	0	1	BGAF	
CCC12NC(Cc3ccccc31)Cc1ccccc12	27891175	IALPPWANLFZLOA-UHFFFAOYSA-N	249.357	3.411	0	1	BGAF	
CC12NC(C)(c3ccccc31)c1ccccc12	28758793	RGCZJCBDJQPAMK-UHFFFAOYSA-N	221.303	3.130	0	1	BGAF	
CC(C)[C@H]1CC(=O)c2coc3c2[C@@H]1C[C@H](C)[C@H]3O	33830728	VIULXZNWHKRQPB-HGUJLJSRSA-N	248.322	3.295	0	1	BGAF	
Oc1c(F)ccc(Cc2ccccc2)c1F	653845412	TUWHBJAXKRKSKI-UHFFFAOYSA-N	220.218	3.261	0	1	BGAF	
Nc1c2c(nc3ccccc13)-c1ccccc1C2	22438	CMZUAEAPKGOQSL-UHFFFAOYSA-N	232.286	3.388	0	1	BGAF	
CN[C@@]12CCCC[C@H]1CCc1ccc(OC)cc12	26156180	ZQHRQDBVWWEKHW-BBRMVZONSA-N	245.366	3.246	0	1	BGAF	
CCCC[C@@H]1CN(c2ccccc2)CC[C@H]1N	28821791	YRWPYATYRUCVQO-UKRRQHHQSA-N	232.371	3.030	0	1	BGAF	
CN1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccccc13	33915532	IHBSVVZENGBQDY-YESZJQIVSA-N	241.378	3.375	0	1	BGAF	
CCSc1ccc(C[C@@H](CC)N(C)O)cc1	49013920	TYSYFEFPDPHUTN-GFCCVEGCSA-N	239.384	3.441	0	1	BGAF	
Cc1cc2occ(C)c2c2c1CC[C@](C)(O)C2	147964467	PEJFNBVBRCLNGJ-HNNXBMFYSA-N	230.307	3.289	0	1	BGAF	
CN[C@@]12c3ccccc3C[C@@H]1CCC[C@@H]2C	166525926	SEQVASNPEDFLRB-CORIIIEPSA-N	215.340	3.094	0	1	BGAF	
CC(C)c1sc(Nc2ccccn2)nc1O	169720315	CYCUSVWZNQLMFX-UHFFFAOYSA-N	235.312	3.111	0	1	BGAF	
COc1ccccc1/C=C/c1ccccc1N	653755723	YALUYJIHMFDWKS-ZHACJKMWSA-N	225.291	3.448	0	1	BGAF	
CC1(C)[C@H]2[C@@H]3C=C[C@@H]4CCC[C@]42[C@H](O)[C@@]1(C)C3	2356569512	YRCJFEFEIFAJFE-CVZQHSHTSA-N	232.367	3.386	0	1	BGAF	
CC1=CCC(=O)[C@@H](C)CC[C@@H](C(C)(C)O)CC1	2356753212	DWMJDYZSFOSGLA-STQMWFEESA-N	238.371	3.489	0	1	BGAF	
Cc1ccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)cc1	6275271	CSXJSMPOTUWCIM-OUCADQQQSA-N	229.323	3.370	0	1	BGAF	
CCC(=O)CCCC(=O)c1ccccc1	14651875	QBWSVZLAABDSMD-UHFFFAOYSA-N	204.269	3.019	0	1	BGAF	biogenic
Cc1oc(=O)cc2c1CC(C)(C)C[C@H]1C[C@@]21C	14694981	PWSPHWLLNDWGKG-ZUZCIYMTSA-N	232.323	3.198	0	1	BGAF	biogenic
c1ccc2c3c([nH]c2c1)CC[C@H](N1CCCC1)C3	39213997	LOEZCSXETJMUNC-LBPRGKRZSA-N	240.350	3.121	0	1	BGAF	
Cc1ccc(Cc2c(O)n[nH]c2C(C)C)c(C)c1	95582969	UXLFFHVGIBDJOL-UHFFFAOYSA-N	244.338	3.446	0	1	BGAF	
Cc1cncc(Cc2cc(-c3ccccc3)n[nH]2)c1	1772612823	GZODPLWRHKZWFV-UHFFFAOYSA-N	249.317	3.371	0	1	BGAF	
Cc1ccc(O)c(C)c1[C@@H]1OC(=O)C[C@@H]1C(C)C	2356386928	AFNNYRDPAGKWOO-IAQYHMDHSA-N	248.322	3.269	0	1	BGAF	
CC(C)(O)C=CC[C@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356442754	OHRVTGGRAFBYNX-SQENJKCDSA-N	220.356	3.386	0	1	BGAF	
CCCCc1ccc(-c2c(C)[nH]c(=O)n2C)cc1	3783454	YRAYEMXOBPSIJZ-UHFFFAOYSA-N	244.338	3.031	0	1	BGAF	
Cc1ccc([C@@]2(C)CC[C@@H](O)C2(C)C)cc1	13412386	AFRLMSOCDMQZOR-UKRRQHHQSA-N	218.340	3.434	0	1	BGAF	biogenic
CN1C[C@@H]2CC(c3cncc(Cl)c3)=C[C@@H](C2)C1	95579938	KISYGAAWAUCCJZ-MNOVXSKESA-N	248.757	3.090	0	1	BGAF	
O=c1nc(-c2ccc3ccccc3c2)ss1	95588155	ABMSAPBTYSUSNJ-UHFFFAOYSA-N	245.328	3.385	0	1	BGAF	
CC1(C)C(=O)C[C@@]23CCC[C@](C)(CC(=O)[C@H]12)C3	299815827	IDXVGRTXFXYOCS-BPLDGKMQSA-N	234.339	3.141	0	1	BGAF	
Cc1c2c(nc3cnccc13)-c1c(N)cccc1C2	587211461	QTJDHIQWTWKAEX-UHFFFAOYSA-N	247.301	3.092	0	1	BGAF	
O=C1Nc2ccccc2C1=CC=Cc1ccco1	2356321236	ZNKMPOJVPAURIK-UHFFFAOYSA-N	237.258	3.329	0	1	BGAF	
COc1cc(CCCCC(C)C)oc(=O)c1C	2356808320	YQTTUDAMDWHQNC-UHFFFAOYSA-N	238.327	3.326	0	1	BGAF	
CC1(C)C=Cc2c(ccc3c2OCC=C3)O1	14696932	PIQUGUBXPWYXOW-UHFFFAOYSA-N	214.264	3.276	0	1	BGAF	biogenic
COc1cc(/C=C\CO)ccc1OCC=C(C)C	15113505	JVHWAXVDBZHERR-PLNGDYQASA-N	248.322	3.046	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C[C@]2(C)CCC1)OC(=O)[C@H]3C	15207314	WCKUJGKZDWKKKF-UHXUCMFUSA-N	234.339	3.465	0	1	BGAF	biogenic
Cc1[nH]c2cccc(F)c2c1-c1cnccn1	587637135	WARSMAPJIUCTKO-UHFFFAOYSA-N	227.242	3.072	0	1	BGAF	
CCC(=O)NC[C@@H]1Cc2cccc3cccc1c23	13834460	VBOUBBFDMXCSFH-ZDUSSCGKSA-N	239.318	3.006	0	1	BGAF	
CN1[C@H]2CC[C@@H]1[C@H](c1ccc(Cl)cc1)C2	38524504	GIBMVDGLFWHJMW-RWMBFGLXSA-N	221.731	3.290	0	1	BGAF	
N[C@@H]1C[C@@H]2C[C@@H]1c1cc(C(F)(F)F)ccc12	100698608	TUVADWWHSVEAFL-MQOMDTIOSA-N	227.229	3.007	0	1	BGAF	
CCCC[C@@H](O)CCCCCCC(=O)OC	238776571	WYUVHXAVEPRUNL-GFCCVEGCSA-N	230.348	3.051	0	1	BGAF	
Cc1cc(O)cc(O)c1[C@H](C)c1ccc(O)cc1	13335234	KRXSLUWZEBPRRR-SNVBAGLBSA-N	244.290	3.264	0	1	BGAF	biogenic
Cc1cc2c(cc1O)[C@@H](CO)CC[C@H]2C(C)C	13381484	DXCLZSITICUANS-NEPJUHHUSA-N	234.339	3.310	0	1	BGAF	biogenic
N[C@H]1[C@H]2CC[C@@H]1Cc1c2cccc1C(F)(F)F	26294513	GVBOIVFALSGRQZ-VFWDIBGWSA-N	241.256	3.082	0	1	BGAF	
O=C1[C@@H]2CCC=CCC[C@@H]2N1Cc1ccccc1	28135762	NWAIKZYIQAWVJV-CABCVRRESA-N	241.334	3.144	0	1	BGAF	
Fc1ccc(C2=NO[C@@H]3CCCC[C@@H]23)cc1	95574332	LFJGEUMJTYAGAH-VXGBXAGGSA-N	219.259	3.119	0	1	BGAF	
CN1CCC[C@]2(c3ccccc3)CC[C@@H]1C2	100790313	WFBUWXFIWMCECC-CABCVRRESA-N	215.340	3.203	0	1	BGAF	
Cc1ccnc2[nH]c(C3(F)CCCCC3)nc12	587132079	IWCOFPJNCFIQEC-UHFFFAOYSA-N	233.290	3.395	0	1	BGAF	
CC(C)(O)[C@@H]1CC=C2CCC[C@](C)(O)[C@]2(C)C1	2356323338	BTDUEFQBQIZNRY-YUELXQCFSA-N	238.371	3.035	0	1	BGAF	
CC1=Nc2ccccc2NC(C)=C1N=O	104031466	IRWRMOFXOLBJOV-UHFFFAOYSA-N	201.229	3.202	0	3	BGAF	
O=C1CCC[C@H]1[C@@H](O)c1ccc2ccccc2c1	8689779	DAGNKZSTMNRBRU-ZBFHGGJFSA-N	240.302	3.242	0	1	BGAF	
Cc1ccc(C)c2c1CCCc1c[nH]nc1-2	13537821	QYEZKUFIWYOLBR-UHFFFAOYSA-N	212.296	3.182	0	1	BGAF	
C[C@@H]1OC2(CCC(N(C)C)CC2)c2ccccc21	27713203	CJPFUMSBUUBMBV-FUJMWEONSA-N	245.366	3.477	0	1	BGAF	
CCc1cccc(-c2nc3cc(C)ccc3[nH]2)n1	27851774	RCWDZAHVTLLVMC-UHFFFAOYSA-N	237.306	3.496	0	1	BGAF	
CC=C=CCN(C)[C@H](C)Cc1ccccc1	29340780	MXAOUSZTGFDNKC-XJQCMFKWSA-N	215.340	3.281	0	1	BGAF	
C[C@@H]1CCCCN1Cc1coc(-c2ccco2)n1	72141492	FSJLNGHTOUEVSD-LLVKDONJSA-N	246.310	3.309	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2ccccc2[nH]1	586886707	CVAWBCZSCQMXLC-NOZJJQNGSA-N	200.285	3.467	0	1	BGAF	
Fc1ccc2nc(C=C3CCC3)[nH]c2c1F	587964923	JONRPZVACBBONV-UHFFFAOYSA-N	220.222	3.408	0	1	BGAF	
CC1=CC[C@@H](C(C)(C)O)C=C[C@](C)(O)CCC1	2356627226	AOROBANGFVRWRJ-UKRRQHHQSA-N	238.371	3.201	0	1	BGAF	
CC(C)[C@@H]1[C@H]2C[C@@]3(C)CC[C@H]2[C@@](C)(C3)[C@@H]1NC=O	2356758897	OSVZIYFFGGLQGX-VIAGDVCTSA-N	249.398	3.219	0	1	BGAF	
C[n+]1ccc(-c2ccccc2)c2ccccc21	5377882	HOSLRHJIHITMCJ-UHFFFAOYSA-N	220.295	3.331	0	3	BGAF	
CC(C)[C@H]1CC(=O)c2coc3c2[C@@H]1C[C@H](C)C3=O	6066719	ITOFWMRNIIFZKF-IVZWLZJFSA-N	246.306	3.444	0	1	BGAF	
Cc1coc2c1[C@](C)(O)C1=C(CCC[C@H]1C)C2=O	13380922	VNNQNPHIASWXBS-ANRSDYALSA-N	246.306	3.108	0	1	BGAF	biogenic
CC1=CC[C@@](O)([C@@H](C)CC/C=C(/C)CO)CC1	35837625	KNGVJRHBQKQKMD-AJTKUPTJSA-N	238.371	3.203	0	1	BGAF	
CN1[C@H]2Cc3ccccc3[C@]1(C)c1ccccc12	36294549	VRDVKRKIXRRDOQ-DLBZAZTESA-N	235.330	3.493	0	1	BGAF	
Cc1n[nH]cc1-c1cc2c3c(cccc3n1)CC2	587213249	YXEGPOPAUOHIFP-UHFFFAOYSA-N	235.290	3.032	0	1	BGAF	
C[C@H]1C=C(c2ccc(Cl)c(Cl)c2)C(=O)O1	3654482	CAHIYFYECGBERB-LURJTMIESA-N	243.089	3.322	0	1	BGAF	
COc1cccc(CCc2ccccc2)c1	14651822	YXYKPTGFXPBSJP-UHFFFAOYSA-N	212.292	3.480	0	1	BGAF	biogenic
C=C1C(C(=O)O)=C[C@]2(C)CC[C@@H]3[C@@H](C)CC[C@@]132	14708978	UVFNMUDXUUEMMB-VFGSGVCASA-N	232.323	3.400	0	1	BGAF	biogenic
N[C@@H]1[C@H]2CC[C@@H]1c1cccc(C(F)(F)F)c1C2	26294509	GVBOIVFALSGRQZ-LPBBDHJYSA-N	241.256	3.082	0	1	BGAF	
C1=CC[C@H](c2ccc3ccccc3c2)CNC1	95585746	APQGMQHBIOJWDO-INIZCTEOSA-N	223.319	3.473	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cc(C)cnc2[nH]1	586887269	FWFDUGOGAXFRTC-TVQRCGJNSA-N	215.300	3.170	0	1	BGAF	
CCC(C)(C)C(=O)NC1(c2ccccc2)CC1	1772644624	WQYRHIARTQCBJJ-UHFFFAOYSA-N	231.339	3.228	0	1	BGAF	
CC[C@@H](C)C=C(C)c1cc(=O)c(C)c(OC)o1	2356825055	HBJNYQZSMJZHKE-SECBINFHSA-N	236.311	3.406	0	1	BGAF	
Nc1[nH]nc2ccc(-c3ccccc3Cl)cc12	40424485	XKAXPZKYFSNGLW-UHFFFAOYSA-N	243.697	3.466	0	1	BGAF	
c1ccc(CNC23C[C@@H]4CC2C[C@@H](C4)C3)cc1	40847579	PSFAXRSAIYRDHR-PJPHBNEVSA-N	227.351	3.355	0	1	BGAF	
Fc1ccccc1C1=NO[C@@H]2CCCC[C@@H]12	95576212	YOBUQGRUJZGIRC-ZYHUDNBSSA-N	219.259	3.119	0	1	BGAF	
C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)[C@@H](O)C=C[C@@]213	238767568	ZYETUZMHJIJQQT-NUNXZZDCSA-N	220.356	3.386	0	1	BGAF	
Fc1cnc(Cl)c2[nH]c(C3=CCCC3)nc12	586883857	MBPRNSJDWJUEKT-UHFFFAOYSA-N	237.665	3.318	0	1	BGAF	
COc1ccc2nc(C3(F)CCCCC3)[nH]c2n1	587132097	JQZRGSXUGKDXEI-UHFFFAOYSA-N	249.289	3.095	0	1	BGAF	
COc1cncc2nc(C3(F)CCCCC3)[nH]c12	587132432	QIDARZJGLPJXFB-UHFFFAOYSA-N	249.289	3.095	0	1	BGAF	
CC(C)c1[nH]c2cccc(F)c2c1-n1cncn1	587635826	NSEQHGKJSOYCAT-UHFFFAOYSA-N	244.273	3.011	0	1	BGAF	
CC(=O)CC[C@@H](C=CC(C)=CC(=O)O)C(C)C	2356439896	HJFLPJGTEMSBHS-CYBMUJFWSA-N	238.327	3.215	0	1	BGAF	
CC(=O)OCC1=C(C)CC[C@H](C)C1(C)C	2356678173	VTGRGCQCXYJPDC-JTQLQIEISA-N	210.317	3.322	0	1	BGAF	
CC1=C[C@@H]2CC[C@@]1(C)C/C2=C(/C)OC=O	5812728	FWKPDPWUSHLWRV-IPLAKBNRSA-N	206.285	3.200	0	1	BGAF	
Clc1ccc2c(c1)CN(c1ccncc1)CC2	13489839	VODOOGRZQMTBMJ-UHFFFAOYSA-N	244.725	3.298	0	1	BGAF	
Cc1[nH]c2cc(N)ccc2c1-c1ccncc1	36338567	AAIHLDQORIUJKB-UHFFFAOYSA-N	223.279	3.121	0	1	BGAF	in-vivo
CCc1cccc2c3c([nH]c12)CC[C@@H](N(C)C)C3	39214021	PDANCANCBIZWCX-GFCCVEGCSA-N	242.366	3.149	0	1	BGAF	
O=C(O)CCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@H]3CC[C@H]3[C@@H]12	102184801	ZDWWCRQXNJGGFF-MXDKSIQWSA-N	246.350	3.025	0	1	BGAF	
CCCCc1[nH]nc2oc(=O)c3ccccc3c12	584905335	YKYPXFBQABKRKC-UHFFFAOYSA-N	242.278	3.012	0	1	BGAF	in-vitro
CCCC[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446591	ZNOBLXWORUYWCP-RYUDHWBXSA-N	246.306	3.001	0	1	BGAF	
CC1=CC[C@@H](C(C)=CC[C@@H](O)C(C)(C)O)CC1	2356748083	SMFKOVDEXIFUCB-ZIAGYGMSSA-N	238.371	3.201	0	1	BGAF	
C[C@@H]1CC[C@@H]2COC(=O)[C@@H]2C2=CC(C)(C)C[C@H]21	14769150	FCPQZTGWUINDJM-DCQANWLSSA-N	234.339	3.178	0	1	BGAF	biogenic
N=Cc1cc(-c2ccccc2)oc1S	27495969	ASYSBJNQXJQQAQ-UHFFFAOYSA-N	203.266	3.233	0	1	BGAF	
C[C@H](CO)CCCC1=CC[C@@H](C(C)(C)O)CC1	14490173	RTRSZZNEAVOVSG-GXTWGEPZSA-N	240.387	3.283	0	1	BGAF	biogenic
Cc1oc2ccc3c(C)cc(=O)[nH]c3c2c1C	45497508	OREZZBPRDDFVTE-UHFFFAOYSA-N	227.263	3.200	0	1	BGAF	
COc1cc2nc(C=C3CCC3)[nH]c2cc1F	587965405	SCGGGSVEPIDGNF-UHFFFAOYSA-N	232.258	3.278	0	1	BGAF	
Cc1cc(C)n2c1C=C(c1cccc(F)c1)C2=O	653745124	JLJBDQRRNZIYJN-UHFFFAOYSA-N	241.265	3.438	0	1	BGAF	
CC=C(C)C=C(C)[C@@H](O)[C@@H](C)C(=O)CCC	2356618714	DVSSWRPHWSGOFM-GXTWGEPZSA-N	224.344	3.265	0	1	BGAF	
Oc1ccc(-c2nc3ccc(O)cc3s2)cc1	12352630	UNCMKVXDLXKQDH-UHFFFAOYSA-N	243.287	3.375	0	1	BGAF	
CN1C(=O)CCC2=C1CCc1cc(Cl)ccc12	13761807	ZGWJLFQGIWFVSR-UHFFFAOYSA-N	247.725	3.250	0	1	BGAF	
Cc1coc2c1[C@@H]1OC(=O)C3=CCC[C@H](C2)[C@@]31C	17121768	KROCVIWNITXTIQ-DVJZZOLTSA-N	244.290	3.085	0	1	BGAF	
Cc1c(C)c2occc2c2oc(=O)ccc12	28101543	WQRSPHCXNJWEAX-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
CCOCc1cccc2c1CC[C@H]2c1ncc[nH]1	40402637	VNPMWPRPDVXRGM-CQSZACIVSA-N	242.322	3.024	0	1	BGAF	
COc1cc(C=Cc2ccccc2)oc(=O)c1C	2356423662	ALTYBKZUBTXQOK-UHFFFAOYSA-N	242.274	3.127	0	1	BGAF	
Cc1ccc([C@]2(C)CC[C@H](O)C2(C)C)cc1	13412377	AFRLMSOCDMQZOR-ZFWWWQNUSA-N	218.340	3.434	0	1	BGAF	biogenic,in-vitro
Cc1cccc(NC(=O)C2[C@H]3CCCC[C@@H]23)c1	18068528	RVRGKIYDOLOVIA-PBWFPOADSA-N	229.323	3.370	0	1	BGAF	
CCc1ccc(C(=O)c2cccc(F)c2)c(O)c1	28760845	BHNLPBBNKQGNGV-UHFFFAOYSA-N	244.265	3.325	0	1	BGAF	
COc1ccc2c(c1)c1ccnc3c1n2CCC3	38418103	LWGGTPHBFHKSAD-UHFFFAOYSA-N	238.290	3.144	0	1	BGAF	
CCCCC1=Cc2ccccc2[P@](=O)(O)O1	49110984	ZYUFGZHOUPWYLF-UHFFFAOYSA-N	238.223	3.059	0	1	BGAF	
Cc1cccc2[nH]c3c(c(=O)c12)CCC(C)(C)C3	72108546	NACNYBLFURVKDS-UHFFFAOYSA-N	241.334	3.351	0	1	BGAF	
CC1=C2C[C@@]3(C)[C@@H](CCC[C@H]3C)C[C@H]2OC1=O	85725638	AEQDXSFIHGWHDV-VDYMJLGFSA-N	234.339	3.465	0	1	BGAF	
c1cc2c(ncc3ncn(C4CCCCC4)c32)[nH]1	95582998	VKHAJXJHGMVFFP-UHFFFAOYSA-N	240.310	3.418	0	1	BGAF	
Cc1cccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c12	586917972	YYNAWCSQEFDRFF-CABZTGNLSA-N	230.311	3.359	0	1	BGAF	
CC1(C)C=C[C@@]2(CC1)NCCc1ccc(O)cc12	963341634	NZAZFHOTLSZEEK-INIZCTEOSA-N	243.350	3.109	0	1	BGAF	
C[C@H]1CN(c2ccncc2)Cc2ccccc21	13489836	HHEZCTJDFDQBCZ-LBPRGKRZSA-N	224.307	3.205	0	1	BGAF	
C/C=C(C)/C=C(/C)c1cc(=O)c(C)c(OC)o1	15120870	IZRINGWNLKDKBD-FPXDHTHPSA-N	234.295	3.326	0	1	BGAF	
C=Cc1c(-c2ccccc2)n[nH]c(=S)c1N	28655258	MHCBIGQFCYAIBI-UHFFFAOYSA-N	229.308	3.031	0	1	BGAF	
Cc1ccc2c(c1)O[C@H](c1ccco1)CC2=O	39041705	DWGADBXDFTUBIP-AWEZNQCLSA-N	228.247	3.295	0	1	BGAF	
C[C@H]1[C@H]2CCC[C@@]1(c1cccc(O)c1)CCN2C	100810521	JBSRPCWYMOJXAM-APHBMKBZSA-N	245.366	3.154	0	1	BGAF	
COc1cccc2[nH]c3cc(O)c(C)cc3c12	13334738	IARIWKRWSRIQSJ-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	biogenic
Cc1sc(C)c2c1CCCc1cnn(C)c1-2	13537770	UJQOABPSKFUADC-UHFFFAOYSA-N	232.352	3.254	0	1	BGAF	
C[C@H]1CC[C@H]2[C@@H]1[C@H]1[C@H](CC[C@@]2(C)O)C1(C)C	33832240	AYXPYQRXGNDJFU-AQLBILIWSA-N	222.372	3.466	0	1	BGAF	
O=[S@](CC1CCCCC1)c1ccccc1	40933841	VOGQEOQEURUBON-HNNXBMFYSA-N	222.353	3.375	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2ccc(CCO)cc2[nH]1	586892137	UHQRUHXSJQQCSR-IAQYHMDHSA-N	244.338	3.001	0	1	BGAF	
COc1ccc2c(=O)cc(-c3ccco3)oc2c1	1598572	KQHQZBSBDPCJAM-UHFFFAOYSA-N	242.230	3.062	0	1	BGAF	
C[n+]1ccc(/C=C/c2ccccc2Cl)cc1	26837590	LQRWVQNHAAFXHF-VOTSOKGWSA-N	230.718	3.335	0	1	BGAF	
CN1CCC=C(c2ccc(Cl)cc2)C1	45372744	VWTALPGQALRNAL-UHFFFAOYSA-N	207.704	3.059	0	1	BGAF	
Cc1ccc2c(c1)[C@@H](C(=O)O)c1ccccc1-2	141668740	PCYFMWUUBUXZOJ-AWEZNQCLSA-N	224.259	3.192	0	1	BGAF	
CC1=CC[C@H]2[C@H](O)[C@H]3CC[C@H](C)[C@@]12C3(C)C	238778489	QQBVOBGZFKCQJI-PLNRXTSHSA-N	220.356	3.386	0	1	BGAF	
Oc1ccc([C@@]23CCC[C@@H](CC2)CO3)cc1	1857648871	SGMNYWKCKCAVKG-SMDDNHRTSA-N	218.296	3.198	0	1	BGAF	
CC(C)[C@@H]1C[C@@]2(C)[C@H](C[C@@H]1O)C(=O)CC[C@H]2C	2356802985	WPOHFKODZHGIEO-FMKNKJFCSA-N	238.371	3.035	0	1	BGAF	
CCOC(=O)c1cc2cc3ccccc3cc2[nH]1	382878	PORHSMPSOZWUIV-UHFFFAOYSA-N	239.274	3.498	0	3	BGAF	
CN[C@H](Cc1ccccc1N)c1sccc1C	8413	NYBKYOYUKBCNAB-CYBMUJFWSA-N	246.379	3.142	0	1	BGAF	
Cc1cc(SC(=O)c2ccco2)c(C)o1	1850354	IHJDHYVSIRCWIT-UHFFFAOYSA-N	222.265	3.422	0	1	BGAF	endogenous,in-man
Cc1coc2c1C[C@@]1(C)[C@@H](C)CCC(=O)[C@@H]1C2	15220974	MHEQQQWHNMVBFL-WBIUFABUSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
CC1=NCCc2c1[nH]c1cccc(OC(C)C)c21	27517332	TUZDNNOGTQZFTN-UHFFFAOYSA-N	242.322	3.320	0	1	BGAF	
O=[S@]1c2ccccc2Cc2cc(Cl)ccc21	13606085	QJHCMZMFOBVKLH-MRXNPFEDSA-N	248.734	3.411	0	1	BGAF	
CCCCCSc1nc2ccccc2c(=O)[nH]1	82153177	JYTGZHWCHZPUMT-UHFFFAOYSA-N	248.351	3.205	0	1	BGAF	
CC[C@@H](C)Nc1cc(-c2ccccc2F)ncn1	82162441	LUOCDBUVJOPBIK-SNVBAGLBSA-N	245.301	3.493	0	1	BGAF	
c1ccc(CNC23C[C@H]4CC2C[C@@H](C4)C3)cc1	101524656	PSFAXRSAIYRDHR-WXLSXGNJSA-N	227.351	3.355	0	1	BGAF	
COC(=O)[C@H]1[C@H]2CC[C@@H](C2)C[C@H]1c1ccccc1	261091938	DRIXPIWDZOXGSL-MXAVVETBSA-N	244.334	3.379	0	1	BGAF	
C[C@@H]1O[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1	586917488	QXZBIKUGWQHEDL-SSDLBLMSSA-N	242.200	3.042	0	1	BGAF	
Cc1c(F)ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c12	586917527	RIMUPDGLMMKNHO-UFBFGSQYSA-N	248.301	3.498	0	1	BGAF	
Cc1ncc(-c2cc3c4c(cccc4n2)CC3)cn1	587213221	UOSBGAYIDBVRGS-UHFFFAOYSA-N	247.301	3.099	0	1	BGAF	
Cc1c([C@@H]2CCOC2)nc2cccc3c2c1CC3	587215938	PQYDTOCFKIQBCT-GFCCVEGCSA-N	239.318	3.146	0	1	BGAF	
O=C1c2ccccc2-c2cnn(-c3ccccc3)c21	1911585377	HJTAHVOXNMAJBX-UHFFFAOYSA-N	246.269	3.084	0	1	BGAF	
CC1=CC2=CC(C)(C)C[C@@]23O[C@@]1(O)CC[C@@H]3C	2356508448	XJZWWPVGDNZITE-LKTVYLICSA-N	234.339	3.177	0	1	BGAF	
C1=Cc2cccnc2N(C2CC2)c2ncccc21	17576	MONPDXUIJPRGMZ-UHFFFAOYSA-N	235.290	3.261	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2c(C)nccc2[nH]1	586893213	WYZJIBNYSOBMGZ-NOZJJQNGSA-N	215.300	3.170	0	1	BGAF	
C[C@H]1CCC[C@@]23C[C@H]4[C@@H](C(=O)[C@]12C)[C@@]4(C)C3	2356411512	RFMRPDNVGQZVJI-XAUBGQFWSA-N	218.340	3.428	0	1	BGAF	
CC(C)CCO[P@](N)(=O)Oc1ccccc1	12472781	WQCLBCNYMYAURS-INIZCTEOSA-N	243.243	3.195	0	1	BGAF	
C=C[C@](C)(O)CC[C@@H]1C(C)=CC[C@@H](C)[C@]1(C)O	14491163	KBYUKRPGFMWKGT-KBXIAJHMSA-N	238.371	3.057	0	1	BGAF	biogenic
Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1	102884312	CSXJSMPOTUWCIM-YRGRVCCFSA-N	229.323	3.370	0	1	BGAF	
c1cc2c3c(cc([C@@H]4CCCOC4)nc3c1)CC2	587216196	VVDOTHUIFCEPBA-CYBMUJFWSA-N	239.318	3.227	0	1	BGAF	
O=N/C(=C1\C=CC=CN1)[C@H]1C[C@H]1c1ccccc1	103918978	YQVURMCSNDHQOF-GNSSOAERSA-N	238.290	3.441	0	3	BGAF	
CCCN(CCC)C[C@H]1Cc2cccc(O)c2C1	27433825	XKQGSYJVPVXRRN-ZDUSSCGKSA-N	247.382	3.229	0	1	BGAF	
CC(C)=CCC[C@@]1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O	100826339	YXKYEDPZIRLAKN-LXTVHRRPSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
CC(C)=CCC[C@@]1(C)O[C@@]2(C)CC[C@H]1C[C@H]2O	257730029	YXKYEDPZIRLAKN-YJNKXOJESA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
Cn1ccc(-c2cc3c4c(cccc4n2)CC3)c1	587210767	HKRQZPWDMVZLES-UHFFFAOYSA-N	234.302	3.339	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)[C@H](C1CC1)C4)CC2	587214263	QATPTQJXGVAGKR-LBPRGKRZSA-N	221.303	3.383	0	1	BGAF	
Oc1nccc2nc(CC3CCCCCC3)[nH]c12	587960490	JNNAKODNYXJMMX-UHFFFAOYSA-N	245.326	3.176	0	1	BGAF	
Cc1ccc([C@@]2(C)CC[C@H](O)C2(C)C)cc1	13412380	AFRLMSOCDMQZOR-DZGCQCFKSA-N	218.340	3.434	0	1	BGAF	biogenic
C[C@]12Cc3ccccc3[C@H](Cc3ccccc31)N2	28758005	NNXPKCPZLCDCRQ-IRXDYDNUSA-N	235.330	3.345	0	1	BGAF	
N#Cc1ccccc1/C=C/c1ccccn1	60182030	HTZNJCWBONSODB-CMDGGOBGSA-N	206.248	3.124	0	1	BGAF	
CC(C)(C)[C@H]1CC(=O)C[C@H](C(C)(C)C)N1N=O	103221731	JNWRTWLDWUDOQW-GHMZBOCLSA-N	240.347	3.162	0	1	BGAF	
CCCCn1c(C)cc(=N)c2ccccc21	137374119	OQSYZPCZWYGQLK-UHFFFAOYSA-N	214.312	3.229	0	1	BGAF	
CN1[C@H]2CC[C@H]1[C@@H](c1ccc(Cl)cc1)C2	253644125	GIBMVDGLFWHJMW-XQQFMLRXSA-N	221.731	3.290	0	1	BGAF	
COc1cc(Cl)c(Cl)cc1[C@H]1C[C@@H]1CN	653707724	IZWSHCTXJOWBOY-RQJHMYQMSA-N	246.137	3.064	0	1	BGAF	
CCC[C@H]1CCCCCCCC(=O)OCCN1	14680506	QYUAIHHWMFYMIS-ZDUSSCGKSA-N	241.375	3.032	0	1	BGAF	biogenic
CN1C[C@@H]2c3ccccc3C[C@@H]1c1ccccc12	100739941	PIGZXJLBRSZWDM-IAGOWNOFSA-N	235.330	3.361	0	1	BGAF	
CC1=C2C[C@H]3[C@@H](C)CCC(=O)[C@]3(C)C[C@H]2OC1	238772288	JQEOEYITCFFMNV-GCVYGYKWSA-N	234.339	3.117	0	1	BGAF	
COc1ccc2c(c1)[C@H](C)CC[C@]2(O)C(C)C	2356791777	IYMCQDHMNUZFGW-ABAIWWIYSA-N	234.339	3.436	0	1	BGAF	
CC(=O)CCC[C@@H](C)[C@@H]1CCC(C)=CC1=O	14614545	XLPCKRSTCQYWCT-YPMHNXCESA-N	222.328	3.307	0	1	BGAF	biogenic
Cc1cccc2c(Cl)c3c(nc12)C=CNN=C3	28713083	DSVADFATWBPPFM-UHFFFAOYSA-N	243.697	3.104	0	1	BGAF	
C[C@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	33832241	AYXPYQRXGNDJFU-DMWPXEFISA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
Fc1ccc2[nH]cc(CCCN3CCCC3)c2c1	59199603	QDEHZSXIYWSRIW-UHFFFAOYSA-N	246.329	3.335	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2c(C)nc(C)cc2[nH]1	586893403	XMOGTSXCGFQSAT-IINYFYTJSA-N	229.327	3.478	0	1	BGAF	
NC1=Nc2ccccc2Sc2cccc(F)c21	1655172	PQWQVZVWCFLQGK-UHFFFAOYSA-N	244.294	3.327	0	1	BGAF	
CCOC(=O)/C=C/[C@@H](C)CCC=C(C)C	26719307	BFRVWUBZABBEFX-VMPCVLLUSA-N	210.317	3.488	0	1	BGAF	
c1ccc(C2=N[C@@H]3O[C@@H]2c2ccccc23)cc1	102915174	SUHOFGLAPMQIEI-HUUCEWRRSA-N	221.259	3.259	0	1	BGAF	
CC=C(C)C=C(C)[C@H](O)[C@@H](C)C(=O)CCC	2356618715	DVSSWRPHWSGOFM-JSGCOSHPSA-N	224.344	3.265	0	1	BGAF	
CC1=CN(Cc2cccc(F)c2)[CH]C=C1	2356869992	FQWHSRAYQWQKFT-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
CC(=O)[C@@H]1CC[C@H](O)[C@]2(C)CC[C@H](C(C)C)[C@H]12	14636516	ISENCPWAURCXQF-FQKPHLNHSA-N	238.371	3.035	0	1	BGAF	biogenic
Oc1cccc([C@H]2CC[C@@H]3CCCCN3C2)c1	25976499	GBPVZNJTTUIKKY-KBPBESRZSA-N	231.339	3.124	0	1	BGAF	in-vivo
CC1(C)CCC[C@]2(C)[C@H]3C(=O)OC[C@@H]3CC[C@@H]12	38525079	JEEKFYIEZDNHGK-OHTBPHCPSA-N	236.355	3.402	0	1	BGAF	
OC1=CN=C(c2ccccc2)Oc2ccccc21	1630152	WBSJEQOIZLCHDQ-UHFFFAOYSA-N	237.258	3.382	0	1	BGAF	
C[C@@H]1C[C@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1	6031580	VLMZMRDOMOGGFA-RIEGTJTDSA-N	240.350	3.148	0	1	BGAF	biogenic
CN1CC=C(c2cccc(O)c2)[C@@]2(C)CCC[C@@H]12	6067606	KGZIIPONKINNGM-HZPDHXFCSA-N	243.350	3.280	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@]1(O)CCC(C)=C[C@@H]1O	13377242	XSCKUUHHFRRUMW-KKUMJFAQSA-N	238.371	3.201	0	1	BGAF	biogenic
CN1CCC[C@H]1c1cc2ccccc2o1	28465984	UFURGWJSEGJTTD-NSHDSACASA-N	201.269	3.200	0	1	BGAF	
Cc1cc2c(cc1Cl)[C@@H](C)[C@@H]1CNC[C@H]21	36270555	LARRGEXQHAFKNV-JFUSQASVSA-N	221.731	3.069	0	1	BGAF	
COc1cccc(/C=C/C2=NCCCC2)c1	59204423	VSZFPKSXBZLIQS-CMDGGOBGSA-N	215.296	3.333	0	1	BGAF	
CCC(=O)OCC[C@H]1[C@H]2CC[C@@H](C2)C1(C)C	101143509	JWIVMIHVUHDBRA-SRVKXCTJSA-N	224.344	3.402	0	1	BGAF	
CC(C)OCCc1cc2c3c(cccc3n1)CC2	587211906	MNFDWUIHLXTPAB-UHFFFAOYSA-N	241.334	3.301	0	1	BGAF	
Cc1[nH]c2cc(Cl)c(F)cc2c1-n1cccn1	587631723	JUWAAGCGSCJDMX-UHFFFAOYSA-N	249.676	3.455	0	1	BGAF	
Nc1cc(-c2c[nH]c3cc(Cl)ccc23)ccn1	1772625322	IYRXLUOYVGHRDZ-UHFFFAOYSA-N	243.697	3.466	0	1	BGAF	
COc1c2c(nc3ccccc13)OC(C)(C)CC2	14589547	SLFXHPLQHAPMKD-UHFFFAOYSA-N	243.306	3.347	0	1	BGAF	biogenic
CCc1cccc2oc3occc3c(=O)c12	15204987	VNSBZZZEVMQNHK-UHFFFAOYSA-N	214.220	3.102	0	1	BGAF	biogenic
CCCC[C@@H]1CC[C@@H](c2cc(C)no2)N1C	26403379	DDFOCOFEWYQQDB-NEPJUHHUSA-N	222.332	3.309	0	1	BGAF	
CCCCCCOc1ccc(-n2cnnc2)cc1	103271855	QJGOIUJPGQWAJG-UHFFFAOYSA-N	245.326	3.226	0	1	BGAF	
O=C(O)CCC[C@H]1C[C@@H]2[C@@H]1[C@@H]1[C@H]3[C@H]([C@H]4CC[C@H]43)[C@@H]21	231930484	ZDWWCRQXNJGGFF-VUHPJTRHSA-N	246.350	3.025	0	1	BGAF	
Cc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1C	586888739	LWLHHXKTFNMPMV-AWEZNQCLSA-N	232.327	3.043	0	1	BGAF	
CC[C]1C=CN(CC(=O)c2ccccc2)C=C1	2356804488	YPCPHWQTOBWQKZ-UHFFFAOYSA-N	226.299	3.197	0	1	BGAF	
Cc1ccc2c(c1)Oc1ccccc1[S@@]2=O	26184543	VQVLXQAMBKJBPL-MRXNPFEDSA-N	230.288	3.267	0	1	BGAF	
N[C@H]1[C@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc1C2	26281848	RBCLHKCRXOPGGK-XRNSZHNASA-N	241.256	3.082	0	1	BGAF	
C[C@H]1c2ccccc2O[C@H]1CN1CCCCC1	40753328	MMYNKGGNYCLPKO-WFASDCNBSA-N	231.339	3.037	0	1	BGAF	
CC1=C[C@H](O)[C@H]2[C@@H]3[C@@H](C(C)C)CC[C@@]2(C)[C@H]13	59778973	LTXWSWWXNHYXCW-QLKXBERHSA-N	220.356	3.242	0	1	BGAF	
Cc1ccc2c(c1)C(=O)[C@@H](c1ccccc1)CO2	84633387	UYZJHPNSNCJWIL-CQSZACIVSA-N	238.286	3.354	0	1	BGAF	
CCC1(CC)C2C[C@H]3C[C@H](C2)CC1(N)C3	103029512	XXXFGMRAIBKVRH-IBQNZTRDSA-N	207.361	3.330	0	1	BGAF	
CCCN(C(C)C)[C@@H]1CCc2c(O)cccc2C1	169328016	WFWRFQPBSLHEOW-CQSZACIVSA-N	247.382	3.370	0	1	BGAF	
Cc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1C	586897516	AABRVLSEYIOEAQ-TXEJJXNPSA-N	244.338	3.198	0	1	BGAF	
Cn1cnc2cc(-c3ccnc4[nH]ccc34)ccc21	1240412724	BXUDHSVEFBUYPF-UHFFFAOYSA-N	248.289	3.117	0	1	BGAF	
NCc1cc2cc(C3CC3)ccc2s1	1857586372	QJHGHOHJGZIVQD-UHFFFAOYSA-N	203.310	3.237	0	1	BGAF	
c1ccc(Nc2cc(-c3ccoc3)ncn2)cc1	4258398	HJMYKLIGYWAIAU-UHFFFAOYSA-N	237.262	3.480	0	1	BGAF	
CC1(C)CCC[C@@]2(C)[C@H]1CC=C1CO[C@@H](O)[C@@H]12	15148130	FCSNZJLUQLZSBW-JLNYLFASSA-N	236.355	3.114	0	1	BGAF	biogenic,in-vitro
CC1=CC=C2C1=C[C@@H]1[C@H](C[C@@H]2C)OC(=O)[C@H]1C	15264809	UFUPDFMFAKLUDE-NUZBWSBOSA-N	230.307	3.017	0	1	BGAF	biogenic
Oc1ccc2c(c1)CC[C@@H](Nc1ccccc1)C2	28865319	KKTQSDKTTQRMRD-OAHLLOKOSA-N	239.318	3.362	0	1	BGAF	
CCn1cncc1-c1c[nH]c2ccccc12	1857563888	QCRQCHPHFSGHAU-UHFFFAOYSA-N	211.268	3.051	0	1	BGAF	
Cc1ccc(C(=O)n2nc(C)c(Cl)c2C)cc1	1857764516	ULZAONCGOGTMJN-UHFFFAOYSA-N	248.713	3.150	0	1	BGAF	
CN(C)[C@@H]1CCc2c(cccc2-c2ccco2)C1	1911571291	FTZQFUVNCMYZHL-CYBMUJFWSA-N	241.334	3.366	0	1	BGAF	
COc1ccc2c(c1)[C@H](C)CC[C@@]2(O)C(C)C	2356791778	IYMCQDHMNUZFGW-IAQYHMDHSA-N	234.339	3.436	0	1	BGAF	
Cc1c2ccoc2c(C[C@@H](C)N)c2occc12	13444176	JGSDPWBXHNULLD-MRVPVSSYSA-N	229.279	3.377	0	1	BGAF	
CC(=O)CC[C@@H]1C(=O)CC(C)(C)C[C@@H]2C[C@]12C	14693425	MZOIDMRKJDJIEP-JMSVASOKSA-N	236.355	3.387	0	1	BGAF	biogenic
C[C@]12CC[C@H](c3ccc(O)cc3)C[C@H]1CC[C@@H]2O	66103290	CEOUGJNTPKXUFS-XRGAULLZSA-N	246.350	3.437	0	1	BGAF	
CC[C@H](C)Nc1ccc(N(C)CC)cc1	71789435	ZDGSZMZCSNWAFY-NSHDSACASA-N	206.333	3.353	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)-c1cccn1CC4)CC2	587211176	ALEZACCSNNFKMY-UHFFFAOYSA-N	246.313	3.358	0	1	BGAF	
CC(C)Cc1ccc([C@H](C)[C@H](N)N=O)cc1	957756673	HMDXZTMSVMICBD-GXFFZTMASA-N	220.316	3.040	0	1	BGAF	
CCCNC(=O)c1csc2c1CCCCC2	5070340	POALRMPNRYKOIG-UHFFFAOYSA-N	237.368	3.157	0	3	BGAF	
CC(C)=CCOc1cc(=O)oc2cccc(C)c12	14488842	OADKBSPQYAJHHS-UHFFFAOYSA-N	244.290	3.446	0	1	BGAF	biogenic
CC1(C)CC2=Cc3cocc3C[C@](C)(O)[C@@H]2C1	15168822	GWFZQKNWKSJEIN-HIFRSBDPSA-N	232.323	3.406	0	1	BGAF	biogenic
CC1(C)c2ccoc2C[C@H]2C=C(CO)CC[C@@H]21	15222143	LSFIXRNHHDUYQO-NEPJUHHUSA-N	232.323	3.058	0	1	BGAF	biogenic
O=C1Nc2c(F)cccc2C2(CCCCC2)N1	28375545	CVCXRGUMWPQPHN-UHFFFAOYSA-N	234.274	3.120	0	1	BGAF	
c1ccc(C[C@@H]2COc3ccccc3C2)cc1	42989228	FAZPXZSNQNWJAW-AWEZNQCLSA-N	224.303	3.480	0	1	BGAF	
c1ccc([C@@H]2C[C@@H]3Cc4ccccc4N2O3)cc1	53297393	WDZGCXUETRUUTP-HOCLYGCPSA-N	237.302	3.494	0	1	BGAF	
COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)C[C@@H]1c1ccccc1	100861307	DRIXPIWDZOXGSL-SPWCGHHHSA-N	244.334	3.379	0	1	BGAF	
Cc1cc[n+]2cc(-c3ccccc3)sc2c1	169318503	OBBVJOUYFRMGKB-UHFFFAOYSA-N	226.324	3.462	0	1	BGAF	
Cc1cc2c(C(C)C)c(O)cc(C)c2oc1=O	14485616	VAOZKYYIOZFKKZ-UHFFFAOYSA-N	232.279	3.239	0	1	BGAF	biogenic,in-vitro
c1ccc(N2N=NC[C@@H]2c2ccccn2)cc1	26164171	QFESCNZVZTUQFD-CYBMUJFWSA-N	224.267	3.010	0	1	BGAF	
CCN[C@@H](C)Cc1ccc(SCC)cc1	48999593	UKMQZNZTCNFILP-NSHDSACASA-N	223.385	3.339	0	1	BGAF	in-vivo
Fc1cc(Cl)cc2nc(C3=COCC3)[nH]c12	586912588	IOZMSHUDKGIRDQ-UHFFFAOYSA-N	238.649	3.117	0	1	BGAF	
CCCCC[C@@H](CC=CCCC(=O)O)OC	2356432718	KBMNVOKQUUZFOO-LBPRGKRZSA-N	228.332	3.393	0	1	BGAF	
Cc1cc(C)n(-c2nsc3ccccc23)n1	1633458	WWTUVXHOWZIPEU-UHFFFAOYSA-N	229.308	3.099	0	1	BGAF	
Cc1ccc(CCn2cc[nH]c2=S)s1	29546400	GVIIYSDETKYVBQ-UHFFFAOYSA-N	224.354	3.158	0	1	BGAF	
C[C@@H]1c2ccccc2O[C@H]1CN1CCCCC1	40753325	MMYNKGGNYCLPKO-DOMZBBRYSA-N	231.339	3.037	0	1	BGAF	
C=C1c2ccccc2C(=O)N(C)c2ccccc21	95555254	CZQFCTUZSYAAGX-UHFFFAOYSA-N	235.286	3.338	0	1	BGAF	
COc1cc(C)cc2c1[nH]c1cc(O)ccc12	238780457	LUZSMZYGSICZOH-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	
CCCC1(c2nc3cncc(OC)c3[nH]2)CCC1	586877745	NEAVRZJFONIBDU-UHFFFAOYSA-N	245.326	3.188	0	1	BGAF	
Cc1cc(F)c2[nH]c(C(C)(C)Cl)nc2c1	587009108	VLVFCGFDMUFBLR-UHFFFAOYSA-N	226.682	3.484	0	1	BGAF	
COc1ccc2oc3c4c2c1CC[C@@H]4CCC3=O	6424548	LLXKFPDBYOGIIU-MRVPVSSYSA-N	242.274	3.448	0	1	BGAF	
CC1=C[C@@H]2C(C)(C)CCC[C@]2(C)C(=O)C[C@@H]1O	13311150	JKGGHIWHKFXACP-ZOWXZIJZSA-N	236.355	3.099	0	1	BGAF	biogenic
CCCN(CCC)[C@@H]1CCc2ncccc2C1	13742647	YEYNJASJMPEAEX-CQSZACIVSA-N	232.371	3.061	0	1	BGAF	
COc1cccc2cc(C)cc(OC)c12	14592433	IWJMQSHUZODASR-UHFFFAOYSA-N	202.253	3.165	0	1	BGAF	biogenic
CC1=C[C@H](O)[C@H]([C@H](C)CCC[C@H](C)CO)CC1	14859931	GEEPKSLYIJDCEN-XGUBFFRZSA-N	240.387	3.138	0	1	BGAF	biogenic
C[C@@H]1CC[C@@H](O)[C@]23C[C@@H]4[C@@H](C[C@@]12C)[C@@]4(C)C3	102945430	VMCKVEZJNIGBQQ-LPZKKVOTSA-N	220.356	3.220	0	1	BGAF	
CC(C)NCCc1ccc2c(c1)C=CC(C)(C)O2	103221096	OAFGWJWCRYBDPG-UHFFFAOYSA-N	245.366	3.411	0	1	BGAF	
CC[C@@]1(CC(=O)O)CCc2c1[nH]c1ccccc21	169340583	UITHSNZKHRVQDS-HNNXBMFYSA-N	243.306	3.237	0	1	BGAF	
C/C=C/C=C/CCc1c(O)ccc(O)c1COC	210805634	VIRRSSOWRCQPPA-VNKDHWASSA-N	248.322	3.309	0	1	BGAF	
C=CCOc1ccc2c(Cl)ccnc2c1	221313984	AJTIDMFPBCXUHN-UHFFFAOYSA-N	219.671	3.453	0	1	BGAF	
Cc1ccc2nc([C@H](C(C)C)N(C)C)[nH]c2c1C	587198552	JUIVJICIRZFSBQ-AWEZNQCLSA-N	245.370	3.438	0	1	BGAF	
CC(C)[C@H]1CC[C@@](C)(O)[C@H]2[C@H]3C[C@@H](C)C[C@@]213	2356443881	CKZXONNJVHXSQM-BXLXJSPXSA-N	222.372	3.466	0	1	BGAF	
C[C]1C=CN(Cc2cccc(F)c2)C=C1	2356824322	JSHAQRCYNCPSNZ-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
CCC[C@@H](C(=O)c1ccccc1C)N1CCCC1	13682115	VVIVTDYOMWHKAE-HNNXBMFYSA-N	245.366	3.442	0	1	BGAF	in-vivo
Cc1cc2ccccc2n1Nc1ccncc1	13745926	SPGFFOXASUPGGC-UHFFFAOYSA-N	223.279	3.220	0	1	BGAF	
Clc1ccc([C@@H]2C[C@H]3CCCC[C@@H]2N3)cn1	28372485	PSZQXCJRVPDKIE-WOPDTQHZSA-N	236.746	3.123	0	1	BGAF	
Cc1ccc(C)c2[nH]c([C@@H](O)CC(C)C)nc12	586902124	YYJANTDQWQHLMR-NSHDSACASA-N	232.327	3.259	0	1	BGAF	
Cc1[nH]c2cccc(F)c2c1-c1ncccn1	587637265	ZATMZSUQGZYZIH-UHFFFAOYSA-N	227.242	3.072	0	1	BGAF	
Fc1cc(-c2ccccc2)c2cn[nH]c2c1	653845470	PKAMRWQMJQIISK-UHFFFAOYSA-N	212.227	3.369	0	1	BGAF	
Nc1c2c(nc3ccccc13)-c1ccccc1CO2	26578007	HQDNYBNZXFEGAT-UHFFFAOYSA-N	248.285	3.376	0	1	BGAF	
C[C@@H]1C(=O)S[C@](C)([C@H](C)c2ccccc2)C1=O	169719300	HQDSPUUMYQWFFK-IMSIIYSGSA-N	248.347	3.027	0	1	BGAF	
CC(C)CCCCCCCCNC(N)=O	261189557	YPJNQYJBLXPIJR-UHFFFAOYSA-N	214.353	3.041	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(O)cc2[nH]1	586887328	FZZZIKUEQJUBKT-TVQRCGJNSA-N	216.284	3.172	0	1	BGAF	
COc1ccc(Cl)c(Cl)c1[C@H]1C[C@H]1CN	653709071	WYOQWFHMSQKDSW-BQBZGAKWSA-N	246.137	3.064	0	1	BGAF	
CC1=C[C@@H](C)[C@H](C2OCC(C)CO2)[C@@H](C)C1	4094037	XJZBGEHYSMORGG-FRAWFVRRSA-N	224.344	3.234	0	1	BGAF	
Cc1ccc([S@@](=O)c2cccs2)cc1	6487918	UEYSPGXYOFYNGQ-AWEZNQCLSA-N	222.334	3.223	0	1	BGAF	
C[C@@H]1CC[C@H]2C[C@@]3(OC2(C)C)[C@@H](C=O)CC[C@@H]13	15160945	RWNMAVPZZYEQKJ-GEJOOGBSSA-N	236.355	3.195	0	1	BGAF	biogenic
Nc1ccc2cccc(OCC3CCCC3)c2n1	28390351	KGRRNRLJYPHJMT-UHFFFAOYSA-N	242.322	3.386	0	1	BGAF	in-vivo
Clc1cccc(NN2C=N[C@@H]3CCCC[C@@H]32)c1	29323564	UYLVNEVDYCJBFI-OLZOCXBDSA-N	249.745	3.322	0	1	BGAF	
O=c1cc(Cl)sn1-c1ccc(Cl)cc1	45299602	ZIOQEVKWYVUNBA-UHFFFAOYSA-N	246.118	3.206	0	1	BGAF	
O=Cc1c(/C=C/O)nc2ccccc2c1Cl	101105944	HNLKQISQLMNMGN-AATRIKPKSA-N	233.654	3.229	0	1	BGAF	
C[C@H]1c2cc(O)ccc2O[C@@H]1c1ccc(O)cc1	13461443	MONNAPDKXVIYTJ-VFZGTOFNSA-N	242.274	3.335	0	1	BGAF	biogenic
Clc1ccc(-c2cc3nccnc3[nH]2)cc1	13492953	VFKHBJJSGUYSDC-UHFFFAOYSA-N	229.670	3.278	0	1	BGAF	
CC[C@@H](CC(=O)c1ccc(C)cc1)N1CCCC1	13682164	CCCKABNBMAAFTD-HNNXBMFYSA-N	245.366	3.442	0	1	BGAF	
C1CC[C@@H]2N=C(NC(C3CC3)C3CC3)C[C@@H]2C1	13862715	SDDHXPSVHYYHPD-STQMWFEESA-N	232.371	3.126	0	1	BGAF	
CC1=CCC[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12	15207274	IXDWMLXBELBEAC-KMCWBVRRSA-N	234.339	3.321	0	1	BGAF	biogenic
Cc1coc2c1[C@@H]1OC(=O)[C@@H]3CCC[C@H](C2)[C@@]31C	15220970	KTALFCIOJDCGJF-BILRFKGYSA-N	246.306	3.165	0	1	BGAF	biogenic
CO[C@@H](c1ccccc1)c1scnc1C	95555661	YCUVBXMAWBEKQK-NSHDSACASA-N	219.309	3.187	0	1	BGAF	
C#Cc1cccc(Nc2ncnc3ccccc23)c1	113269229	XRJYQYFHGFNAII-UHFFFAOYSA-N	245.285	3.355	0	1	BGAF	
Cc1cncc2nc(/C=C\c3ccsc3)[nH]c12	587025670	MEOROBYLQDYXGK-IHWYPQMZSA-N	241.319	3.498	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CC(C)(C)C)O2	587406775	UXGQHLXDSYXDSP-SNVBAGLBSA-N	247.338	3.347	0	1	BGAF	
C=C1C(C)=CC(=O)[C@@H]2C(C)(C)C(=O)CC[C@]12C	14449324	IHIHSGANYYVZAE-UKRRQHHQSA-N	232.323	3.083	0	1	BGAF	biogenic
O=Cc1ccc2c(c1)C=C/C(=C/Cl)CO2	38325654	NLKKOCDCSMWPDS-POHAHGRESA-N	220.655	3.027	0	1	BGAF	
c1ccc(CCn2cc(-c3ccccc3)nn2)cc1	95573046	MKMCNZRTIHGUDX-UHFFFAOYSA-N	249.317	3.188	0	1	BGAF	
Cc1cccc(Nc2n[nH]c3cccnc23)c1	118720615	KVYXXOVKGUBPFL-UHFFFAOYSA-N	224.267	3.010	0	1	BGAF	
CCCN(C(C)C)[C@H]1CCc2c(O)cccc2C1	169328018	WFWRFQPBSLHEOW-AWEZNQCLSA-N	247.382	3.370	0	1	BGAF	
CSc1nc2c(C)cccc2c(O)c1C(C)=O	1857745411	IOIUKOBHKUCFJA-UHFFFAOYSA-N	247.319	3.173	0	1	BGAF	
Cc1cc2[nH]c3c(c2cc1C)C[C@@H](N(C)C)CC3	39214040	ZDJYJXUICSAKDF-LBPRGKRZSA-N	242.366	3.204	0	1	BGAF	
[18F]C[C@@]12N[C@H](Cc3ccccc31)c1ccccc12	102030258	LGHXZBIPTSRPJL-BMLBLMPSSA-N	238.296	3.100	0	1	BGAF	
CC[C@@H]1N=NC(c2ccc(F)cc2)=CN1O	4452511	LPHLUOSSNDAQRP-LLVKDONJSA-N	221.235	3.017	0	3	BGAF	
C[C@@H]1O[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1	586916822	FYPYDZJNFYJQOG-QPUJVOFHSA-N	230.311	3.320	0	1	BGAF	
CC(=O)NC[C@H]1CCc2cccc3cccc1c23	13834427	YEJNNHSHBRFGLW-CQSZACIVSA-N	239.318	3.006	0	1	BGAF	
N=C(N)c1ccc(-c2cc3ccccc3[nH]2)cc1	42965902	VHONNXFZCAICNI-UHFFFAOYSA-N	235.290	3.119	0	1	BGAF	
CCN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@@H]1C2	101342344	KAGFQWDGGDLRJU-XPKDYRNWSA-N	227.351	3.478	0	1	BGAF	
CC[C@@H](C)CCCCc1coc(=O)c(C)c1O	1857651381	SAJHVNVDBBYIML-SNVBAGLBSA-N	238.327	3.413	0	1	BGAF	
CCCC=CC=CCNC[C@@H](O)CCCCC	2356626764	IPGLKLMWYXMYAB-HNNXBMFYSA-N	239.403	3.430	0	1	BGAF	
C1=C[C@H](Cc2cncs2)c2ccccc21	36387643	HSDVYTNJRRSDRH-LLVKDONJSA-N	213.305	3.496	0	3	BGAF	
COc1ccc2[nH]c3cc(O)c(C)cc3c2c1	13334741	AIVUYXSNEZKNBV-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	biogenic
CN1c2ccccc2C(=O)C[C@H]1c1ccccc1	26726864	XYIWVJOUTVYHGO-HNNXBMFYSA-N	237.302	3.451	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@](C)(O)[C@@H]3[C@@H]12	59778983	HNNQYJPDMHXZMQ-RHTUOURWSA-N	222.372	3.466	0	1	BGAF	
CC(C)COc1ccc(Cl)cc1[C@H]1C[C@H]1N	72170799	BVYLMDQBOJJSTN-ZYHUDNBSSA-N	239.746	3.189	0	1	BGAF	
c1cc2c(-c3ccnc4[nH]ccc34)c[nH]c2cn1	299862904	OAAPSDVPLURZJC-UHFFFAOYSA-N	234.262	3.106	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCC[C@H]1C)O2	587405626	MMUKQAVLJBRUML-MEBBXXQBSA-N	245.322	3.101	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2cc(F)cnc2[nH]1	587967901	UPPUVDYBZMCAEZ-PSASIEDQSA-N	231.274	3.167	0	1	BGAF	
NCc1ccc(-c2cnccc2-c2ccoc2)o1	1857538630	NNOFQTUHQSTLSQ-UHFFFAOYSA-N	240.262	3.060	0	1	BGAF	
CCn1cncc1-c1c[nH]c2cccc(F)c12	1857544041	KUSKQKUCGGDAAE-UHFFFAOYSA-N	229.258	3.190	0	1	BGAF	
COc1cc(O)cc(C=Cc2cccc(O)c2)c1	2356431525	VANIIUGEHGLNHB-UHFFFAOYSA-N	242.274	3.277	0	1	BGAF	
C1=C[C@]2(CCCO2)OC1=Cc1cccs1	2356575400	LLZQYUSTIRVCPF-LBPRGKRZSA-N	220.293	3.182	0	1	BGAF	
CCCN(CCC)[C@H]1CCn2cc(C)cc2C1	13642088	SPZKFYULWLAAQF-AWEZNQCLSA-N	234.387	3.233	0	1	BGAF	
CCCCC[C@H]1OC(=O)c2ccccc21	28957496	BQUYONPOMYBMQZ-GFCCVEGCSA-N	204.269	3.478	0	1	BGAF	
CCCOc1[nH]cnc2c3cc(C)ccc3nc1-2	101925092	OIKXJTCLTMODOX-UHFFFAOYSA-N	241.294	3.160	0	1	BGAF	
N#Cc1ccc(/C=C/c2cccnc2)cc1	200625703	CNNXKZGKFGISIY-VMPITWQZSA-N	206.248	3.124	0	1	BGAF	
Cc1ccc2[nH]c(=O)c3c(c2c1)OC(C)(C)C=C3	238757849	KBQHOULAXFKOFC-UHFFFAOYSA-N	241.290	3.021	0	1	BGAF	
C=CC=CCCCCCCC[C@H](O)[C@H](C)N	2356524069	PDPUNMLGRNINFK-KBPBESRZSA-N	225.376	3.167	0	1	BGAF	
CC1(C)CCCC2=C[C@H](O)[C@@](C)(O)CC[C@@]21C	2356528957	NWAVEWPQEPBQBN-QEJZJMRPSA-N	238.371	3.035	0	1	BGAF	
CN[C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1	26834752	HLOCJJORRHQDKS-DOTOQJQBSA-N	237.346	3.353	0	1	BGAF	in-vivo
C[C@H]1C(=O)S[C@@](C)(CC2CCCCC2)C1=O	169719250	VYICFALLNFALHB-RNCFNFMXSA-N	240.368	3.194	0	1	BGAF	
c1ccc(CCc2[nH]nc3ccccc23)cc1	196864135	LXISBZUPGQAOKP-UHFFFAOYSA-N	222.291	3.348	0	1	BGAF	in-vitro
CCCC1(c2nc3cccc(O)c3[nH]2)CCC1	586877719	LTBIPABQWDBUBZ-UHFFFAOYSA-N	230.311	3.490	0	1	BGAF	
CC[C@H]1OCCC[C@H]1c1nc2ccc(F)cc2[nH]1	586908720	CXJQAMHWKBJCTA-ZWNOBZJWSA-N	248.301	3.375	0	1	BGAF	
COc1ccc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2c1	586916808	FGDVDJNEQFUROB-ZANVPECISA-N	246.310	3.059	0	1	BGAF	
O=C1Nc2ccccc2C1=CNc1ccccc1	1857622549	CAKKKSYOHBKDHQ-UHFFFAOYSA-N	236.274	3.092	0	1	BGAF	
CCCN1CCC[C@H]2c3cccc(O)c3CC[C@@H]21	5833784	ANYSYRVXKLTFPB-ZFWWWQNUSA-N	245.366	3.296	0	1	BGAF	
c1cnc2c(c1)[C@@H](CCCn1ccnc1)CCC2	13808201	DZIACHPSWDVDES-CYBMUJFWSA-N	241.338	3.178	0	1	BGAF	
C[C@]12N[C@H](Cc3ccccc31)C1=CCCC[C@@H]12	13887103	JYBXPDFRCAEGKO-XHSDSOJGSA-N	225.335	3.156	0	1	BGAF	
C=C1CCC[C@]2(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12	15207374	VVFHGZOZXJXSNR-KMCWBVRRSA-N	234.339	3.321	0	1	BGAF	biogenic
CN1C[C@@H](c2ccc(Cl)cc2)CCC1=S	29558534	FTCLELCCXKHRQL-JTQLQIEISA-N	239.771	3.477	0	1	BGAF	in-vivo
Nc1ccccc1Oc1ccc(Cl)cc1O	36286618	HJXYQHRZHJFAGC-UHFFFAOYSA-N	235.670	3.420	0	1	BGAF	in-vivo
FC1(c2nc3cnccc3[nH]2)CCCCC1	587132718	TVCNBOVXXQSFCK-UHFFFAOYSA-N	219.263	3.087	0	1	BGAF	
Cc1ccc(-c2ccccc2[C@H](N)N=O)cc1	957756701	JAOCSJNQOIIXCY-CQSZACIVSA-N	226.279	3.386	0	1	BGAF	
CC1=CCCC(CO)=CCc2c(C)coc2C1	2356480080	OFGSMCKPLONCAV-UHFFFAOYSA-N	232.323	3.332	0	1	BGAF	
CC(C)[C]1C=CC(=C2NC=CC=C2O)C=C1	2356847337	QBXSNUHMOCTPKY-UHFFFAOYSA-N	214.288	3.156	0	1	BGAF	
CCC(=O)c1c(CC)c2n3c1CC[C@H]3CCC2	13108541	IKMZOZSBTXYGEZ-SNVBAGLBSA-N	231.339	3.467	0	3	BGAF	
O=C(O)c1cc2cc3ccc(Cl)cc3nc2o1	2493911	SBNNPIZOOPBYQN-UHFFFAOYSA-N	247.637	3.333	0	1	BGAF	
COc1ccc(-c2ccc(N)cc2)c2cnoc12	63539525	PZZGDHAAAAALDY-UHFFFAOYSA-N	240.262	3.086	0	1	BGAF	
CCCC(C)(C)c1cccc(OC(=O)NC)c1	84652232	IIOWADKNOBJETF-UHFFFAOYSA-N	235.327	3.483	0	1	BGAF	
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@](C)(O)[C@@H]1C	103296714	ZBJPVPFEDGYYBD-CBBWQLFWSA-N	240.387	3.281	0	1	BGAF	
COc1ccc(/C=C/c2ccccc2N)cc1	148431977	MZFWFUQETCPTEG-RMKNXTFCSA-N	225.291	3.448	0	1	BGAF	
CC1(C)CCC[C@]2(C)C[C@@H]3CO[C@H](O)[C@@H]3[C@]12C	238756866	WYFUXAIEKPJVEH-GGUBGCTKSA-N	238.371	3.194	0	1	BGAF	
CC1=CC[C@]2(CC1)[C@H](C(C)(C)O)CC[C@@]2(C)O	2356552334	LZBYJSPEFVYKOU-CFVMTHIKSA-N	238.371	3.035	0	1	BGAF	
C/C(C(=O)NC1CC1)=C(/C)c1ccc(Cl)cc1	2001140	SDHSWSFAQOTVMR-MDZDMXLPSA-N	249.741	3.412	0	1	BGAF	
CC1=C[C@@H]2C(C)(C)CCC[C@@]2(C)C(=O)C[C@H]1O	38953785	JKGGHIWHKFXACP-LALPHHSUSA-N	236.355	3.099	0	1	BGAF	
Clc1ccc([C@@H]2N=C[C@H]3C=CC=CN23)cc1	72136929	ZRMPSCAPZDJQTO-CHWSQXEVSA-N	230.698	3.177	0	1	BGAF	
CCn1cc(-c2cc3c4c(cccc4n2)CC3)cn1	587211001	JNLMUFFAEKFBPR-UHFFFAOYSA-N	249.317	3.217	0	1	BGAF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3cnncc3[nH]2)C1	587969722	VBPLKRYKHUKSEM-NXEZZACHSA-N	244.342	3.283	0	1	BGAF	
CCc1cn(C)c(-c2cc3sccc3n2C)n1	1911585744	NYPBTAHTNSLJIG-UHFFFAOYSA-N	245.351	3.203	0	1	BGAF	
Cc1ccc2c(c1)OC[C@H](c1ccccc1)C2=O	84615314	JPNRCLVPZCGIER-CQSZACIVSA-N	238.286	3.354	0	1	BGAF	
c1ccc(CSc2[nH]ccc3ncnc2-3)cc1	101195386	SERNDVCGOLBMHP-UHFFFAOYSA-N	241.319	3.202	0	1	BGAF	
C[C@@H]1CC[C@]23C[C@H]1C(C)(C)[C@H]2CC=C3CO	238741165	SENZIYHNQVCYSZ-BPGGGUHBSA-N	220.356	3.387	0	1	BGAF	
CC1=C[C@]2(C)[C@@H](O)C[C@H]3[C@H](C)CC[C@]32[C@H]1C	238747571	KACKPLUHPMMFBK-BBAYZTIDSA-N	220.356	3.386	0	1	BGAF	
CC1=C[C@H](O)C[C@@H](C)C=C[C@H](C(C)(C)O)CC1	2356475735	OILIIWQLXDSNNC-FPMFFAJLSA-N	238.371	3.057	0	1	BGAF	
CCC=CCCCCCCC[C@@H](O)[C@H](C)N	2356512715	BVWZJMSWYIKRNF-UONOGXRCSA-N	227.392	3.391	0	1	BGAF	
O=C1CCCn2c3ccccc3c3ccnc1c32	1617018	FETOJTXHPWRNGS-UHFFFAOYSA-N	236.274	3.166	0	1	BGAF	
C[C@H]1CNCCc2c(Cl)cc(Cl)cc21	14208605	LVDZEHWRCDOGFA-ZETCQYMHSA-N	230.138	3.243	0	1	BGAF	
C[C@H]1c2ccccc2O[C@@H]1CN1CCCCC1	40753323	MMYNKGGNYCLPKO-SWLSCSKDSA-N	231.339	3.037	0	1	BGAF	
O=C1C=CC[C@@H](c2csc3ccccc23)O1	72122805	XIFKGWHFCVSLMU-NSHDSACASA-N	230.288	3.446	0	1	BGAF	
NO[C@H](c1ccccc1)c1ccc(Cl)cc1	144556744	NYZMBXHTRUBGLF-CYBMUJFWSA-N	233.698	3.320	0	1	BGAF	
CCCN1CC[C@@]2(c3cccc(O)c3)CC[C@H]1C2	255972184	FOHPXJOQTHBXQQ-HOCLYGCPSA-N	245.366	3.298	0	1	BGAF	
CCCC(=O)c1cc2c3c(cccc3n1)CC2	587214305	RPVMTRXEFMEDOB-UHFFFAOYSA-N	225.291	3.316	0	1	BGAF	
CC(=CCCc1ccoc1)C[C@H]1C=C(C)C(=O)O1	2356516838	LMVBLGWKMLOBGT-AWEZNQCLSA-N	246.306	3.420	0	1	BGAF	
CC1=C2C(=O)O[C@H](c3ccco3)[C@@]2(C)CCC1	2356735110	WPNOWVWMZUYEQO-OCCSQVGLSA-N	232.279	3.384	0	1	BGAF	
CCC1=CN(CC(=O)c2ccccc2)[CH]C=C1	2356822693	GIZQBDBDHVEYQM-UHFFFAOYSA-N	226.299	3.197	0	1	BGAF	
C=C(C)C(=O)[C@@H]1CC[C@]2(O)CCC[C@@H](C)[C@]12C	14923125	VMHVLIDJNCCRLE-AYRXBEOTSA-N	236.355	3.099	0	1	BGAF	biogenic
[18F]C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12	102030262	LGHXZBIPTSRPJL-OGCJYYDJSA-N	238.296	3.100	0	1	BGAF	
N#Cc1cccc(/C=C/c2ccc(O)cc2)c1	225954545	PSEKGPGDJYPKQN-SNAWJCMRSA-N	221.259	3.434	0	1	BGAF	
Cc1nc2ccccc2cc1NCCC[C@@H](C)O	299865093	NDPBVNVKTYGVEJ-LLVKDONJSA-N	244.338	3.116	0	1	BGAF	
CC1=Cc2ccc3c(c2CO1)O[C@H](C(C)C)C3=O	2356535304	SVFIJYQKYCVHPU-CQSZACIVSA-N	244.290	3.177	0	1	BGAF	
Cc1ccc2c(c1)[C@@]1(C)CCC[C@]1(C)C(=O)O2	15273731	AJPFVAMFLSGCAO-HUUCEWRRSA-N	230.307	3.362	0	1	BGAF	biogenic
O=C(c1ccccc1)c1ccc2c(c1)SCN2	33962241	BSJCMEIUFYPGNL-UHFFFAOYSA-N	241.315	3.393	0	1	BGAF	investigational
CCOc1cc2c3ccccc3nc-2c[nH]1	100640592	MBBOXTKOOFAZLI-UHFFFAOYSA-N	212.252	3.066	0	1	BGAF	in-vivo
O=c1ccc2ccc(-c3ccccc3)oc-2c1	147445998	XVWMGPGLVHQTGV-UHFFFAOYSA-N	222.243	3.412	0	1	BGAF	
CC1=CC[C@H]([C@](C)(O)CC=CC(C)(C)O)CC1	2356388578	KHPLSAWGYMTNML-DZGCQCFKSA-N	238.371	3.201	0	1	BGAF	
CC=C(C)C(=O)O[C@@H]1[C@H]2CC=C(C)[C@H]1C2(C)C	2356752544	XBIYGXBPWHLVBE-JHJVBQTASA-N	234.339	3.487	0	1	BGAF	
c1ccc2c(c1)[C@@H]1CC[C@H]2[C@@H]2CCCCN12	13741961	XUWUJNGIAHFEKU-ILXRZTDVSA-N	213.324	3.473	0	1	BGAF	
CCc1c(C)n(C)c2c(N(C)C)cccc12	26482631	BCAZMYWJVGHRAZ-UHFFFAOYSA-N	216.328	3.115	0	1	BGAF	
CC(=O)OCC[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C	29042554	PTSRRNQCSHSVHW-GRYCIOLGSA-N	210.317	3.012	0	1	BGAF	
CCCC/C=C/C=C/C=C/[C@@H]1CC[C@@H](O)[C@H](C)N1	95589653	LSCWHIBYDGDOLC-CCORAGHZSA-N	249.398	3.347	0	1	BGAF	
CC(=O)SC(C)(C)[C@H]1CC[C@@H](C)C(=O)C1	2356479002	ABUPPVNDFMOSIZ-SCZZXKLOSA-N	228.357	3.050	0	1	BGAF	
CC(C)=CCOC(=O)C=Cc1ccccc1	2356656752	YEGFVCPUCLRIRL-UHFFFAOYSA-N	216.280	3.209	0	1	BGAF	
CC[C@@H](C)CCCCC1=C[C@H](C)OC1=O	14592370	WNNWZLRNFSNZOJ-MNOVXSKESA-N	210.317	3.465	0	1	BGAF	biogenic
Cc1nc2c(/C=C/c3ccccc3)cccn2c1N	29409072	IRUQZZZROURFAO-MDZDMXLPSA-N	249.317	3.395	0	1	BGAF	
O=c1ccc2cc(-c3ccc(O)cc3)ccc2o1	66101809	SAPLXEIEJXWPBF-UHFFFAOYSA-N	238.242	3.166	0	1	BGAF	
Cc1ccc2c(c1)OC[C@@H](c1ccccc1)C2=O	84615316	JPNRCLVPZCGIER-AWEZNQCLSA-N	238.286	3.354	0	1	BGAF	
Cc1c(F)ccc2nc([C@H](C(C)C)N(C)C)[nH]c12	587198182	ASZFHSXGPUOWAG-ZDUSSCGKSA-N	249.333	3.269	0	1	BGAF	
C[C@@H]1CC[C@@H]2C[C@](C)(O)C[C@@H]3[C@@H]([C@H]12)C3(C)C	2356518338	NKIWRYQBASKLRK-BQVODAHPSA-N	222.372	3.466	0	1	BGAF	
CN(C)[C@@H]1C=C(c2ccccc2)CCC1	5965194	VFQMBYBRDMRYEG-AWEZNQCLSA-N	201.313	3.184	0	1	BGAF	
CC(C)c1nc(Cc2c[nH]cn2)c(C(C)C)o1	13802717	PFCSPBQIOCNVEU-UHFFFAOYSA-N	233.315	3.235	0	1	BGAF	
c1ccc2c(c1)CCC[C@H]2CCn1ccnc1	13808195	IWHDGKMFQQWLPU-AWEZNQCLSA-N	226.323	3.393	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@H]3COC(=O)[C@@H]3CC[C@@H]12	15147874	UQUIQVFHSGQDRL-OXJKWZBOSA-N	236.355	3.402	0	1	BGAF	
[O-][N+]1=Cc2ccccc2CCC12CCCCC2	27553172	FWPONGJQRCNFNY-UHFFFAOYSA-N	229.323	3.265	0	1	BGAF	
NC[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1c1cccc(Cl)c1	253683943	IRNIZNAXVXVLJU-BNQQVVLKSA-N	235.758	3.428	0	1	BGAF	
C[C@@H](O)CCCc1cnc2cccc3c2c1CC3	587215655	LFIACYQOGYVQGJ-LLVKDONJSA-N	241.334	3.037	0	1	BGAF	
Cc1ccc2nc(C[C@H]3CCC(=O)[C@H]3C)[nH]c2c1	587961465	GDRWZGHKZVMKAV-WDEREUQCSA-N	242.322	3.029	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@](C)(O3)[C@@H]2C1	2356395257	NEAFXVXDYNEEDN-URFZWBKFSA-N	238.371	3.131	0	1	BGAF	
CC(C)[C@H](O)CCC=CC=CC(C)(C)[C@H](C)O	2356843647	NNWCXCVXEGPTMN-UONOGXRCSA-N	240.387	3.303	0	1	BGAF	
O=C1N(C2CCCCC2)CC12CCCCC2	1613181	FTSXEFIPTFYXIJ-UHFFFAOYSA-N	221.344	3.112	0	1	BGAF	
C[C@H](F)[C@H](N)c1nc2cccc(C(C)(C)C)c2[nH]1	587125274	RYSRCPZWTYBAOT-KWQFWETISA-N	249.333	3.218	0	1	BGAF	
FC(F)(F)Cc1cc2c3c(cccc3n1)CC2	587210083	DHJZKQVJNFAYSR-UHFFFAOYSA-N	237.224	3.438	0	1	BGAF	
c1cnc2c(c1)-c1nc3cccc4c3c(c1C2)CC4	587211469	FFACFBZLQQRDRR-UHFFFAOYSA-N	244.297	3.300	0	1	BGAF	
C=C1C(c2ccccc2F)=CC(=O)N1CCCC	1857556257	WPWSIPRNUQRYNB-UHFFFAOYSA-N	245.297	3.365	0	1	BGAF	
CSC(=S)/C=C(\O)c1cccs1	1911577873	JXZGPUNYTDUZPU-WAYWQWQTSA-N	216.352	3.337	0	1	BGAF	
C[C@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CCN2C	6067070	JBSRPCWYMOJXAM-MAZHCROVSA-N	245.366	3.154	0	1	BGAF	
O=C(O)/C=C/c1ccc(-c2ccc(O)cc2)cc1	13648522	DSRUVGINFZPVRB-XCVCLJGOSA-N	240.258	3.157	0	1	BGAF	
CC[C@@H](C)[C@@H]1S[C@@H](C)N[C@@H](C)S1	261499611	BLDFHTPIEUHZJY-HXFLIBJXSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
C[C@@H]1Cc2ncccc2[C@H](C[C@H]2CCCCN2)C1	2356752827	VATUXNUGMFWXDH-MELADBBJSA-N	244.382	3.280	0	1	BGAF	
c1ccc(CNC23C[C@@H]4CC2C[C@H](C4)C3)cc1	101524674	PSFAXRSAIYRDHR-FXQLRMTLSA-N	227.351	3.355	0	1	BGAF	
CCC[C@@]1(CC)CC(=O)c2cc(C)cc(N)c2O1	587403581	OXECIWCROBHOMQ-HNNXBMFYSA-N	247.338	3.491	0	1	BGAF	
Clc1cnc2[nH]c(CC3CC3)nc2c1Cl	587958989	JPHHLRYPIFLRCV-UHFFFAOYSA-N	242.109	3.217	0	1	BGAF	
Cc1noc2ccnc(NC3CCCCC3)c12	1857563131	JDDJIEJAYIARTR-UHFFFAOYSA-N	231.299	3.276	0	1	BGAF	
CC1=C[C]2NC(c3ccc(C)cc3)=CN2C=C1	2356855619	DIOJWUDOQQACRN-UHFFFAOYSA-N	223.299	3.162	0	1	BGAF	
CC1=CN2[CH]C=CC=C2N1Cc1ccccc1F	2356856416	DOXIOMSYLXZMJS-UHFFFAOYSA-N	241.289	3.378	0	1	BGAF	
CC1(C)c2ccoc2C[C@@H]2C=C(CO)CC[C@H]21	15222145	LSFIXRNHHDUYQO-NWDGAFQWSA-N	232.323	3.058	0	1	BGAF	biogenic
CN1[C@H]2CC[C@@H]1C=C(c1c[nH]c3ccccc13)C2	28564764	ZOMRBJBMKLVVRD-OLZOCXBDSA-N	238.334	3.418	0	1	BGAF	
CC(=O)c1cc(-c2ccccn2)c2ccccn12	73199949	WOSGOHDUUBVSBO-UHFFFAOYSA-N	236.274	3.204	0	1	BGAF	in-vitro
Cc1c(F)ccc2nc(C3CCC3)[nH]c12	586885112	XJTXHXSSGSPFIB-UHFFFAOYSA-N	204.248	3.278	0	1	BGAF	
CCOC(=O)c1ccc(-c2ccc(C)cc2)cn1	1239479136	DWMRZFZKUZASFN-UHFFFAOYSA-N	241.290	3.234	0	1	BGAF	
CCC=CC=CC=CC[C@H](OC)[C@@H](C)NC	2356494020	OZYMABBRNUUXQX-KGLIPLIRSA-N	223.360	3.078	0	1	BGAF	
CC=Cc1ccc(OC(=O)C(C)C)cc1	2356586095	LJEWVBGJLXRKQV-UHFFFAOYSA-N	204.269	3.281	0	1	BGAF	
Cc1cc(C)c2c(c1O)N/C(=C\N=O)C=C2	104026968	VTAKVWTYYMXXOT-TWGQIWQCSA-N	216.240	3.056	0	3	BGAF	
CC[C@@H](O)/C=C/CCCCCCCC(=O)O	14511113	NSVPCFNUUARRKL-ZJNQMXKESA-N	228.332	3.129	0	1	BGAF	endogenous,in-man
O=C(O)CCC[C@@H]1C[C@H]2[C@@H]3[C@H]4[C@H]5CC[C@H]5[C@H]4[C@H]3[C@H]12	231930481	ZDWWCRQXNJGGFF-QTZGJTNFSA-N	246.350	3.025	0	1	BGAF	
COc1ccc(NOc2ccccc2)cc1	338905	QWKIIJRUABTYRI-UHFFFAOYSA-N	215.252	3.101	0	1	BGAF	
CC(C)=CCC[C@]1(C)O[C@]2(C)CC[C@H]1C[C@H]2O	13377723	YXKYEDPZIRLAKN-LJISPDSOSA-N	238.371	3.441	0	1	BGAF	in-man
C[C@H](C1CCCCC1)N(C)Cc1ccc[nH]1	14959089	HYZGPTYBESHBBA-GFCCVEGCSA-N	220.360	3.415	0	1	BGAF	
CC[C@H](CCn1cncn1)c1ccc(F)cc1	103214230	KKSXPCKCUIVOTJ-LLVKDONJSA-N	233.290	3.001	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@]2(C)O)C1(C)C	136874006	AYXPYQRXGNDJFU-BSOITMSTSA-N	222.372	3.466	0	1	BGAF	
Oc1ccc([C@H]2CCc3cc(O)ccc3N2)cc1	13490105	SDOVQLQJVRIWQB-CQSZACIVSA-N	241.290	3.197	0	1	BGAF	
Cc1ccc2c(c1)[C@]1(C)CCC[C@]1(C)C(=O)O2	15273722	AJPFVAMFLSGCAO-LSDHHAIUSA-N	230.307	3.362	0	1	BGAF	biogenic
C[C@@]12N[C@@H](Cc3ccccc31)[C@H]1CCCC[C@@H]12	34614597	COGPALBKCNFTGA-QCEMKRCNSA-N	227.351	3.236	0	1	BGAF	
CCCN[C@H]1C[C@@H]2C[C@@H]1c1ccccc12	101235634	VGDVQXXSROPFHH-GDLCADMTSA-N	201.313	3.029	0	1	BGAF	
Cc1ccc2nc(-c3csc(O)n3)[nH]c2c1C	587017555	LYENGMUPOCQETR-UHFFFAOYSA-N	245.307	3.009	0	1	BGAF	
CCc1c(C)cc2nc3ccccc3n2c1O	621431459	KAXRWDPRDPHFEW-UHFFFAOYSA-N	226.279	3.064	0	1	BGAF	
CCCc1oc(CCC)c(C(=O)O)c1C	1772644884	HEINNDWLTJAPSR-UHFFFAOYSA-N	210.273	3.191	0	1	BGAF	
c1ccc(CCc2ccccc2-c2cnn[nH]2)cc1	1857564498	MBDXJWMLJSOEGR-UHFFFAOYSA-N	249.317	3.257	0	1	BGAF	
CCCCC=CC=CC=C[C@@H]1CC[C@@H](O)[C@@H](C)N1	2356586112	LSCWHIBYDGDOLC-BZUAXINKSA-N	249.398	3.347	0	1	BGAF	
Cc1ccc(C2(N(C)C)CCC(C)(O)CC2)cc1	27325349	KCWDGUPOLDCWQM-UHFFFAOYSA-N	247.382	3.077	0	1	BGAF	
[CH2-]c1c2cccc(Cl)c2nc2[n+]1CCCCC2	28455865	MUILZOVEBZOSKO-UHFFFAOYSA-N	246.741	3.084	0	1	BGAF	
c1ccc(-c2ccc(Cn3ccnc3)o2)cc1	66112098	DVJZZOQICDSXPO-UHFFFAOYSA-N	224.263	3.191	0	1	BGAF	
Cc1ccc(-c2cc(NCC3CC3)ncn2)cc1	82160960	ULRXQJGGLNQFBY-UHFFFAOYSA-N	239.322	3.274	0	1	BGAF	
CCN(CC)c1c(C)[nH]c2cc(F)ccc12	587635774	RQGQLGAVRDIQMM-UHFFFAOYSA-N	220.291	3.462	0	1	BGAF	
Cc1[nH]c2cc(F)ccc2c1-c1cnccn1	587637112	VIDPSFHTPOZXQX-UHFFFAOYSA-N	227.242	3.072	0	1	BGAF	
Cc1cc2c(cc1-c1ccccc1F)CNCC2	1857642528	YZEJEZNXVSGBIO-UHFFFAOYSA-N	241.309	3.447	0	1	BGAF	
CC=CC=CC=C1C=C[C@]2(CCCCO2)O1	2356474484	TYODKWRJEBJDRL-AWEZNQCLSA-N	218.296	3.486	0	1	BGAF	
C[C@@H]1CC2=C(C=C3CC(C)(C)C[C@H]31)C(=O)OC2	14486929	ILAONLFRMRRNAF-RNCFNFMXSA-N	232.323	3.242	0	1	BGAF	biogenic,in-vitro
CC(=O)CCC[C@H](C)[C@H]1CCC(C)=CC1=O	14614546	XLPCKRSTCQYWCT-WCQYABFASA-N	222.328	3.307	0	1	BGAF	biogenic
CC(C)[C@@]12CC(C)(C)[C@@H](O1)C1=C2CC[C@@]1(C)O	15153662	FCBQZFPTPRVHNC-NWANDNLSSA-N	236.355	3.051	0	1	BGAF	biogenic
CN1CCC[C@H]1c1ccc(C(F)(F)F)cc1	28098850	QCHZYELFCCVECG-NSHDSACASA-N	229.245	3.472	0	1	BGAF	
CCCC[C@@H]1OC(=O)c2c(OC)cccc21	36421008	GDMDPSVIWARJGW-JTQLQIEISA-N	220.268	3.097	0	1	BGAF	
O=C(O)C[C@]1(c2ccc(F)cc2)C[C@H]2CC[C@@H]1C2	73140870	LLNOJCXJWAPFDE-NVBFEUDRSA-N	248.297	3.358	0	1	BGAF	
Cn1cc(-c2ocnc2Cl)c2ccccc21	103213648	FOFYTQJLRICWMG-UHFFFAOYSA-N	232.670	3.487	0	1	BGAF	
O=C(Nc1nccs1)[C@H]1[C@@H]2C=CCCCC[C@@H]21	104013096	QVRUJMJSJXRQQT-VWYCJHECSA-N	248.351	3.074	0	1	BGAF	
CC(C)=CCC[C@]1(C)O[C@@]2(C)CC[C@H]1C[C@@H]2O	257730026	YXKYEDPZIRLAKN-AJNGGQMLSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
CCN(CC)CCc1c(C)[nH]c2cccc(F)c12	587635226	IKDYXMDBSSXREA-UHFFFAOYSA-N	248.345	3.500	0	1	BGAF	
O=c1c2ccccc2sn1C1CCCC1	1772576258	BCOJIXSFHMFCRG-UHFFFAOYSA-N	219.309	3.178	0	1	BGAF	
Oc1cc(O)nc(/C=C/C2CCCCC2)c1	1857653248	HTHYQBNWXSBUGX-VOTSOKGWSA-N	219.284	3.086	0	1	BGAF	
CCC[C@H]([C@H](O)c1ccc(C)cc1)N1CCCC1	13682232	NJZIWQLWRVISOP-HZPDHXFCSA-N	247.382	3.293	0	1	BGAF	
CNC(=O)Oc1cccc(-c2ccccc2)c1	45495088	NYOGSYRWQAQOKA-UHFFFAOYSA-N	227.263	3.072	0	1	BGAF	in-vivo
CC(=O)c1cccc(-c2c(C)noc2C)c1	72118174	PQDJCPDVQWLFCE-UHFFFAOYSA-N	215.252	3.161	0	1	BGAF	
Clc1ccc([C@@H]2NN=C3CCC[C@H]32)cc1	1857606036	OVHBUURKUDQFKD-PWSUYJOCSA-N	220.703	3.140	0	1	BGAF	
C/C=C(C)/C=C(\C)c1cc(=O)c(C)c(OC)o1	32302684	IZRINGWNLKDKBD-KZZDLZNXSA-N	234.295	3.326	0	1	BGAF	
CCn1c2ccccc2c2oc(C(=O)O)cc21	96917756	SIAYUIDDKAOHJT-UHFFFAOYSA-N	229.235	3.106	0	1	BGAF	
O=C1C[C@H]2CCC[C@](OCc3ccccc3)(C1)C2	100797952	RMLUYNRWKNCELN-GDBMZVCRSA-N	244.334	3.495	0	1	BGAF	
O=C1Nc2ccccc2/C1=C/c1ccc([18F])cc1	101965111	QIERHADIMMFZNE-LQTDNIRYSA-N	238.252	3.318	0	1	BGAF	
O=C(Nc1ccc2ccccc2c1)n1cccn1	299828288	MJRWLNAFYCDOSI-UHFFFAOYSA-N	237.262	3.117	0	1	BGAF	
Cc1nc2ccccc2cc1NCCC[C@H](C)O	299865094	NDPBVNVKTYGVEJ-NSHDSACASA-N	244.338	3.116	0	1	BGAF	
Cc1c([C@@H](C)CN(C)C)[nH]c2cc(F)ccc12	587636041	YCEALOVZLQFPLD-VIFPVBQESA-N	234.318	3.281	0	1	BGAF	
C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@]3(C)CC[C@@H]1[C@H]23	2356522922	YSMNEPXZBBDNRL-XBMQVOARSA-N	234.339	3.480	0	1	BGAF	
Cc1cccc(-c2cccc3nccn23)c1	61907989	PHWZYNDENLRXRS-UHFFFAOYSA-N	208.264	3.310	0	3	BGAF	
CCOc1ccc2cc(C[C@@H](C)N)ccc2c1	40835338	RIBPBDJODPIITD-LLVKDONJSA-N	229.323	3.128	0	1	BGAF	in-vivo
Oc1ccc(/C=C/c2cc(O)c(F)c(O)c2)cc1	72116537	AJJFEAFGFYLUFV-OWOJBTEDSA-N	246.237	3.113	0	1	BGAF	
C[C@H]1CCN2CCc3c([nH]c4ccccc34)[C@@H]2C1	95560820	RAGBGCLEOLTWAD-NHYWBVRUSA-N	240.350	3.497	0	1	BGAF	
CC[C@@H](N=O)/C(C)=C/c1ccc(OC)nc1	169723643	KNGHKYKDSABJTP-MXMFLMJRSA-N	220.272	3.039	0	1	BGAF	
COc1cc(OC)c2[nH]c(C3=CCCC3)nc2c1	586882730	APVBQVHFZSOJFN-UHFFFAOYSA-N	244.294	3.147	0	1	BGAF	
Fc1cccc2nc(-c3occ4c3CCC4)[nH]c12	586905299	JSDNDMMOOUHFOC-UHFFFAOYSA-N	242.253	3.451	0	1	BGAF	
CC[C@H](C)c1nc2ccc(Cl)nc2[nH]1	587954750	BZXFSDWLCBFWGG-LURJTMIESA-N	209.680	3.125	0	1	BGAF	
CC1(C)C[C@@H]2CC[C@]3(C)[C@@H](O)CC[C@](C)(O1)[C@@H]23	1772583164	PRNNDLQWYSPWMJ-JVSQWTDWSA-N	238.371	3.131	0	1	BGAF	
CC[C@H](CCn1cncn1)c1ccc(C)cc1	1857634555	RNDJZZLBJHNIAQ-CYBMUJFWSA-N	229.327	3.170	0	1	BGAF	
COc1ccc2cc(-c3cccnc3)ncc2c1	36388893	RYPRVHYZXDWIQY-UHFFFAOYSA-N	236.274	3.305	0	3	BGAF	
C/C=C/c1cc(OC)c(OC)cc1Cl	49808425	ZYMZRQGYFCXBAF-SNAWJCMRSA-N	212.676	3.390	0	1	BGAF	
C[C@@]12N[C@H](Cc3ccccc31)C1=CCCC[C@H]12	100659830	JYBXPDFRCAEGKO-BZUAXINKSA-N	225.335	3.156	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@H]13	104373018	AZCJPMYIWXNBMH-LOVFCKMRSA-N	222.372	3.466	0	1	BGAF	in-man
CN1CC[C@@H]2CC[C@H](OCc3ccccc3)C[C@@H]21	299835559	XJBIRLCXDMVDOD-JYJNAYRXSA-N	245.366	3.076	0	1	BGAF	
Cc1c(-c2nccn2C)nc2cccc3c2c1CC3	587210992	JHXLBPPXGZWYJD-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
N[C@@H](N=O)c1ccc(-c2ccccc2)cc1	957756591	BXPUNSSEQUPJDG-ZDUSSCGKSA-N	212.252	3.077	0	1	BGAF	
Cc1cc2c(C)nc(Cc3ccccc3)nc2o1	493770	JBEXAGIKUSYULO-UHFFFAOYSA-N	238.290	3.430	0	3	BGAF	
COc1c(O)c(C(C)=O)c(C)c2c1C=CC[C@H]2C	13434553	QFUXWTVAALROJB-MRVPVSSYSA-N	246.306	3.432	0	1	BGAF	biogenic
CCCCC/C=C\C[C@@H]1OC(=O)C[C@H]1C	13462220	LHLQGGXPUHSSSP-WZIXFXTNSA-N	210.317	3.465	0	1	BGAF	
Cc1onc(O)c1Cc1ccc2ccccc2c1	27707325	UDDQJXLJOOIKPV-UHFFFAOYSA-N	239.274	3.433	0	1	BGAF	
CC1=CC[C@H](O)[C@]2(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C	166674939	FCGISFNHEDQGHS-AIUMHDJVSA-N	220.356	3.386	0	1	BGAF	
CC(C)(C)c1[nH]c2cc(F)ccc2c1N	587636276	UQBFLNCSXMYVTI-UHFFFAOYSA-N	206.264	3.187	0	1	BGAF	
Cc1cnc2c3c(nccc13)C(=O)c1ccccc1-2	5632	LOSJLQPAEPFENA-UHFFFAOYSA-N	246.269	3.150	0	1	BGAF	
CC1=CC[C@H]([C@@](C)(O)C/C=C/C(C)(C)O)CC1	13377230	KHPLSAWGYMTNML-UZQMHCEWSA-N	238.371	3.201	0	1	BGAF	
COc1ccc([C@@H]2CC(c3ccoc3)=NO2)cc1	66075231	DWIFCHVPUIMXHF-AWEZNQCLSA-N	243.262	3.154	0	1	BGAF	
CCc1ccc(Oc2ccccc2N)c(O)c1	95574013	ABEBAVNUESLUEV-UHFFFAOYSA-N	229.279	3.329	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(C)nc2[nH]1	586890202	NSZRGDZYQGVDPR-TVQRCGJNSA-N	215.300	3.170	0	1	BGAF	
Oc1cccc2nc(-c3occ4c3CCC4)[nH]c12	586904962	DZHMEVJVIVTKDV-UHFFFAOYSA-N	240.262	3.017	0	1	BGAF	
CCC[C@@H]1OC(=O)[C@H]1CCCc1ccccc1	1857605703	HKHZTKGMFLUIEY-KBPBESRZSA-N	232.323	3.351	0	1	BGAF	
C[C@@]1(CC[C@@H]2C=CCC2)CCCNC1=S	6482148	WPQSANCPQIMIMF-YPMHNXCESA-N	223.385	3.450	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@@H]3CCC(=O)[C@@H]3[C@@H]12	14614562	PYUWACLOPFTHBV-HNTFPEDGSA-N	206.329	3.284	0	1	BGAF	
Cc1nc(Nc2ccccc2)c2cc[nH]c2n1	27980987	XZJZDOHBBJZXDC-UHFFFAOYSA-N	224.267	3.010	0	1	BGAF	
CCN1[C@H]2CC[C@@H]1[C@H](c1ccc(Cl)nc1)C2	36079877	JQIIXRVNUHNTBY-SDDRHHMPSA-N	236.746	3.075	0	1	BGAF	
Oc1ccc(-c2nc(-c3ccccc3)c[nH]2)cc1	473118776	LLRMHWKEAGYQBD-UHFFFAOYSA-N	236.274	3.449	0	1	BGAF	
Cc1c2c(nc3cccnc13)-c1c(N)cccc1C2	587210424	BBAMXMRHSWMOCJ-UHFFFAOYSA-N	247.301	3.092	0	1	BGAF	
N[C@@H](N=O)c1ccc(-c2ccccc2)nc1Cl	957611463	LQTLNOKPQIPTJR-LBPRGKRZSA-N	247.685	3.126	0	1	BGAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@@H]1CC[C@@H]1[C@@](O)(C3)C2	2356360424	GBAVVUAZBDNEJJ-BYGOPZEFSA-N	218.340	3.140	0	1	BGAF	
C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@]3(C)CC[C@H]1[C@H]23	2356522920	YSMNEPXZBBDNRL-IQCLJPLKSA-N	234.339	3.480	0	1	BGAF	
CCCC[C@H](O)CCCCCCC(=O)OC	2356625010	WYUVHXAVEPRUNL-LBPRGKRZSA-N	230.348	3.051	0	1	BGAF	
CC1=CCC2=C(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12	15264887	WBHVRMWEPJHOHP-AHLTXXRQSA-N	232.323	3.241	0	1	BGAF	biogenic
C[C@@H](Cc1ccccc1)Cn1cc[nH]c1=S	26499240	JYBWZLBTFXBWSV-NSHDSACASA-N	232.352	3.424	0	1	BGAF	
Cc1[nH]nc(O)c1Cc1cccc2ccccc12	27705664	IQDLCGSNFCGFCV-UHFFFAOYSA-N	238.290	3.168	0	1	BGAF	
Clc1ccc2c(c1)SCc1cn[nH]c1-2	40845093	XSHSXZQASGMDBU-UHFFFAOYSA-N	222.700	3.336	0	1	BGAF	
CCOC(=O)/C=C/c1oc2ccc(O)cc2c1C	40913653	IWVRAWJNANDHES-VOTSOKGWSA-N	246.262	3.023	0	1	BGAF	
Clc1ccc([C@H]2N=C[C@@H]3C=CC=CN32)cc1	72136932	ZRMPSCAPZDJQTO-STQMWFEESA-N	230.698	3.177	0	1	BGAF	
COc1ccc2c(c1)[nH]c1cc(OC)c(O)cc12	84670490	KGJAJEPCUUXSFQ-UHFFFAOYSA-N	243.262	3.044	0	1	BGAF	
Oc1cc(O)c2c(c1)O[C@H](c1ccccc1)C=C2	96908940	OLKAZOSRXWPGPU-AWEZNQCLSA-N	240.258	3.245	0	1	BGAF	
C=C(c1ccc[nH]1)N(C)Cc1ccccc1	100936948	UBPBOEOYYZRWQS-UHFFFAOYSA-N	212.296	3.117	0	1	BGAF	in-vivo
O=C(/C=C\c1ccccc1)N/C=C/c1ccccc1	207065011	DAZFHZLCFLDNPG-RCWDKCQFSA-N	249.313	3.487	0	1	BGAF	
COc1cc(O)c(C(C)=O)c2c1C=CC(C)(C)C2	238783822	UGUAECLIXNVUJJ-UHFFFAOYSA-N	246.306	3.199	0	1	BGAF	
Cc1cccc2nc([C@@H]3CCCC(=O)CC3)[nH]c12	586886421	PPIQNTOFSWGMLJ-LLVKDONJSA-N	242.322	3.488	0	1	BGAF	
CCCC(=O)n1nc2cc1Oc1ccc(F)cc1-2	587873709	KZRFWAPDKCPGGW-UHFFFAOYSA-N	246.241	3.235	0	1	BGAF	
CC=CC=CC=Cc1oc(=O)cc(OC)c1C	2356700059	SXVWISLKTAUXGO-UHFFFAOYSA-N	232.279	3.102	0	1	BGAF	
Clc1ccc(C2[C@@H]3CC[C@H]2CNC3)cc1	13494194	DQTXEZQCBHGHHZ-QYJAPNMZSA-N	221.731	3.053	0	1	BGAF	
CC1=C[C@@H]2OC(=O)C3=CC[C@H](C(C)C)[C@@H](C1)[C@@H]32	14918229	YTTBRPHKLFGIOX-RUZUBIRVSA-N	232.323	3.097	0	1	BGAF	biogenic
CN1[C@H]2Cc3ccccc3[C@@H]1c1ccccc12	27893253	PFFGUTFSPWUIOT-JKSUJKDBSA-N	221.303	3.319	0	1	BGAF	
Cc1c([C@](C)(O)C(F)(F)F)[nH]c2ccccc12	13649241	URRNGCUHUVHQMN-NSHDSACASA-N	243.228	3.246	0	1	BGAF	
CC1(C)CC=C[C@]2(C)O[C@@]3(C)CC[C@@]12O3	14973042	QXHORPLJTIHQGR-YNEHKIRRSA-N	208.301	3.027	0	1	BGAF	endogenous,in-man
Fc1ccccc1C1=NO[C@@H]2CCCC[C@H]12	95576210	YOBUQGRUJZGIRC-CMPLNLGQSA-N	219.259	3.119	0	1	BGAF	
Cc1ccc(NC2=NC[C@H](C)C2)c2c1CCC2	143238757	PHXOKCNYNWMEBG-SNVBAGLBSA-N	228.339	3.334	0	1	BGAF	
Cc1nccn1C(=S)SCc1ccccc1	149539999	IDLOQYKSEJJLGZ-UHFFFAOYSA-N	248.376	3.258	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)CCCC4)CC2	587214940	GHELZICVJKTNCL-UHFFFAOYSA-N	209.292	3.212	0	1	BGAF	
Oc1ccc2c(c1)C[C@H](Nc1ccccc1)CC2	28865344	FKZPGNNLILPTPP-OAHLLOKOSA-N	239.318	3.362	0	1	BGAF	
O=C(c1ccc(F)cc1)n1ccc2ccccc21	40918249	YRAMSNKAQXFABP-UHFFFAOYSA-N	239.249	3.469	0	1	BGAF	
O=C1OCc2cc(-c3cccs3)ccc21	73220965	COIZBURRYXTILO-UHFFFAOYSA-N	216.261	3.086	0	1	BGAF	
C[C@H](c1ccsc1)c1ccc(O)cc1O	147019900	KTLHIVVOBPWRRH-MRVPVSSYSA-N	220.293	3.311	0	1	BGAF	
C/C1=C/C[C@@H](O)/C(C)=C\[C@@H](O)C(C)(C)CCC1	169484019	GYUGUGKADPBAJH-SJVURZNZSA-N	238.371	3.201	0	1	BGAF	
COc1cccc(/C=C/c2ccccn2)c1	5141349	OJMUQBRJFDVGJA-CMDGGOBGSA-N	211.264	3.261	0	1	BGAF	
CC[C@H](C)[C@@H]1N[C@H](C)S[C@H](C)S1	95620593	WONMKWKUDGYZEA-XSPKLOCKSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CN1[C@@H]2Cc3ccccc3[C@]1(C)c1ccccc12	100649217	VRDVKRKIXRRDOQ-IAGOWNOFSA-N	235.330	3.493	0	1	BGAF	
CC[C@@H](CCn1cncn1)c1ccc(F)cc1	103214232	KKSXPCKCUIVOTJ-NSHDSACASA-N	233.290	3.001	0	1	BGAF	
O=N/C=C1\C=CC=CN1Cc1ccsc1	139440707	NFVXTQHWVAOQQR-YRNVUSSQSA-N	218.281	3.241	0	1	BGAF	
C/C(=C\CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C)CO	238773847	PDEQKAVEYSOLJX-AHSSINCXSA-N	220.356	3.387	0	1	BGAF	
C[C@@H]1C=C2C=C[C@H](C)[C@@H](C=CC(=O)O)[C@@H]2CC1	2356410138	BYJSVNHVPRQKSV-CDGCEXEKSA-N	232.323	3.422	0	1	BGAF	
O=C(O)Cc1cccc2c1Oc1ccccc1O2	27549468	JRFQZFIUIAIMCL-UHFFFAOYSA-N	242.230	3.212	0	1	BGAF	
CCO[C@@H]1CCc2c1nc1cccc3c1c2CC3	587214110	MBDVTJOARWJAGZ-CQSZACIVSA-N	239.318	3.357	0	1	BGAF	
CC1(C)O[C@@]2(C3CCCCC3)CC[C@H]1[C@H](O)C2	2356374443	WCMQFUQUXLTMPK-GUTXKFCHSA-N	238.371	3.275	0	1	BGAF	
C=CC(C)=CC=C[C@](C)(O)[C@@H]1CCC(C)(C)O1	2356420308	VZBMIEMHBOCITJ-ZFWWWQNUSA-N	236.355	3.384	0	1	BGAF	
CC1=CC[C@H](O)[C@](C)(O)C=C[C@@H](C(C)C)CC1	2356534044	GHCUEDNOTXRLCD-SOUVJXGZSA-N	238.371	3.057	0	1	BGAF	
C=C(C=CC)c1cc(C)ccc1OC=O	2356581202	OMMHPZPNWBCTMY-UHFFFAOYSA-N	202.253	3.120	0	1	BGAF	
CC1(C)CCC[C@]2(C)C3=C(CC[C@H]12)COC3=O	14559560	MEGPFBRAROUGQD-ABAIWWIYSA-N	234.339	3.466	0	1	BGAF	biogenic
CCCN1CCC[C@@H]2c3ccccc3OC[C@H]21	27855545	QZAIELPUDDKTFH-TZMCWYRMSA-N	231.339	3.037	0	1	BGAF	
C1CC[C@@H]2CC(NC(C3CC3)C3CC3)=N[C@H]2C1	29344877	SDDHXPSVHYYHPD-OLZOCXBDSA-N	232.371	3.126	0	1	BGAF	
CC(C)(Cl)c1nc2c(F)cnc(Cl)c2[nH]1	587008439	OTFMYROKTHNXFF-UHFFFAOYSA-N	248.088	3.224	0	1	BGAF	
COc1ccc(CN2C=CC=CC2=CN=O)cc1	1857617642	WOBZIRMJQKIWCB-UHFFFAOYSA-N	242.278	3.189	0	1	BGAF	
CCc1ccc(O)c(C(=O)c2ccsc2)c1	28762060	NINMGMLMUYCXMN-UHFFFAOYSA-N	232.304	3.247	0	1	BGAF	
CSCCCCCCCCC(=S)NO	62238408	XVYHPPOLIATKBU-UHFFFAOYSA-N	235.418	3.386	0	1	BGAF	in-vitro
CC[C@]12CC3CC(N)(C1)C[C@](CC)(C3)C2	100801944	SUVNEFNZAWETBP-CEUNDQEZSA-N	207.361	3.474	0	1	BGAF	
CC(C)=CCn1c(=O)oc2ccc(Cl)cc21	103167105	JJXBLXMCFQISOG-UHFFFAOYSA-N	237.686	3.214	0	1	BGAF	
CCC=CC[C@H]1C(=O)CC[C@@H]1CCCC(=O)O	2356441255	LVQJNKFFJNUFNY-NWDGAFQWSA-N	238.327	3.193	0	1	BGAF	
CC12NC(Cc3ccccc31)Cc1ccccc12	27887204	YCFFFJKQZYULSC-UHFFFAOYSA-N	235.330	3.021	0	1	BGAF	
O=C1C[C@@H]2CCC[C@](Oc3ccccc3)(C1)C2	29411188	JWXBVUDFFBNKCE-SWLSCSKDSA-N	230.307	3.357	0	1	BGAF	
Cc1ccc([C@]2(C)CC[C@@](C)(O)[C@@H]2C)c(O)c1	35923922	NUPFSZAGQWNRSQ-KCPJHIHWSA-N	234.339	3.139	0	1	BGAF	
CC1=COC(=O)C2=C(C)CC[C@H]3[C@@H]([C@@H]12)C3(C)C	39150680	IEOQPTYTLIVFRB-GVXVVHGQSA-N	232.323	3.446	0	1	BGAF	
C/C(=C\c1ccc(O)cc1)c1cc(O)cc(O)c1	40951547	YYHFBBQMCXAWJV-UXBLZVDNSA-N	242.274	3.364	0	1	BGAF	
c1cn(Cc2ccc(-c3ccsc3)nc2)cn1	84632658	CRBPQFZDACMHCD-UHFFFAOYSA-N	241.319	3.055	0	1	BGAF	
CC1=C[C@H](O)[C@H]2[C@H]3[C@H]1[C@]2(C)CC[C@@H]3C(C)C	102945420	LTXWSWWXNHYXCW-QZOBBIQNSA-N	220.356	3.242	0	1	BGAF	
O=N/C=C1/C=CC=CN1Cc1cccs1	212906644	FDFLIUJFUFRMRX-NTMALXAHSA-N	218.281	3.241	0	1	BGAF	
Nc1nc2ccc(NCc3ccccc3)cc2o1	299833851	ABNZJWJKQLQIJX-UHFFFAOYSA-N	239.278	3.022	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2cncc(C)c2[nH]1	586892061	SYZMQYQJSBJARC-RNCFNFMXSA-N	215.300	3.170	0	1	BGAF	
COc1ccc2ccc(=O)oc2c1C=CC(C)C	2356621803	QQWKWTAYQQZAMH-UHFFFAOYSA-N	244.290	3.471	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@@H](C)CCC(=O)[C@@H]2CC1=O	2356801535	RORXDJQKHFUGBV-JUFZMCDQSA-N	236.355	3.243	0	1	BGAF	
CCc1c2nc3ccccc3c-2ccn1C	2356819333	FBKXHCGGHVFSKP-UHFFFAOYSA-N	210.280	3.241	0	1	BGAF	
CC1=CC(=O)[C@H]([C@@H](C)CCC[C@@H](C)CO)CC1	13377656	MAXNBGSKPQFIED-RDBSUJKOSA-N	238.371	3.347	0	1	BGAF	biogenic
CC1=COC=C[C@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	14710494	DMFSWNMSKDPBCG-KCQAQPDRSA-N	246.306	3.092	0	1	BGAF	biogenic
c1ccc(SCCCCn2ccnc2)cc1	146732009	ZZOCKSKCDOIYPX-UHFFFAOYSA-N	232.352	3.456	0	1	BGAF	
CCCCC[C@@H](/C=C/CCCC(=O)O)OC	238735048	ZYUVYYBWWSSMTQ-PMDBQALLSA-N	228.332	3.393	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(C(=O)O)cc2[nH]1	586892749	WDMPKGVNEQUIOO-LKFCYVNXSA-N	244.294	3.165	0	1	BGAF	
O=[S@@]1C=C(Oc2ccccc2)c2ccccc21	299811123	CZJLSJJLZCWZTM-QGZVFWFLSA-N	242.299	3.185	0	1	BGAF	
C[C@@H]1CC[C@@H](O)[C@]2(C)CC[C@H]3C[C@@]12OC3(C)C	2356677175	KBDUCUDIASUHFM-FMKNKJFCSA-N	238.371	3.131	0	1	BGAF	
c1ccc(N2[C@H]3[C@H]4C[C@@H]([C@H]5CCC[C@H]54)[C@H]32)cc1	105118550	YFWARTKNDZZMCY-IULVYOOQSA-N	225.335	3.310	0	3	BGAF	
O=C1CCCc2c(ccc3ccccc23)O1	13560906	ROXTWXQUWDZVDI-UHFFFAOYSA-N	212.248	3.082	0	1	BGAF	
O=C(Nc1nccs1)[C@@H]1[C@@H]2/C=C/CCCC[C@@H]21	169296039	QVRUJMJSJXRQQT-OYBBBQMASA-N	248.351	3.074	0	1	BGAF	
O=C1[C@@H]2CC/C=C/CC[C@@H]2N1Cc1ccccc1	169359900	NWAIKZYIQAWVJV-JJIOWCPJSA-N	241.334	3.144	0	1	BGAF	
Cc1c(-c2cc3c4c(cccc4n2)CC3)cnn1C	587211829	XHKCLUASIMGEGF-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
Oc1ccccc1Nc1ncnc2ccccc12	27886508	SNRBAPJGGIQKIW-UHFFFAOYSA-N	237.262	3.079	0	1	BGAF	
Cn1c(-c2ccc(O)cc2)cc2ccc(O)cc21	29222819	HNQIPIHFDVQSKY-UHFFFAOYSA-N	239.274	3.257	0	1	BGAF	
OCc1cccnc1-c1cc2ccccc2s1	45347955	GTBJNCMXZKMFLM-UHFFFAOYSA-N	241.315	3.456	0	1	BGAF	
CCCCC(=O)c1cc(O)c(C)c(OC)c1	142439354	RBQBHFRDEHYTSY-UHFFFAOYSA-N	222.284	3.082	0	1	BGAF	
CC[C@H](N=O)/C(C)=C/c1ccc(F)nc1	169723640	ODLSADWQKBSESE-PCGIRMHASA-N	208.236	3.169	0	1	BGAF	
c1ccc(CC[N@]2C[C@H]2c2ccccc2)cc1	1857648903	ZTSNYHQXLQARLW-DLBZAZTESA-N	223.319	3.286	0	1	BGAF	
O=C1C=CC[C@H](c2cccc3ccccc23)O1	40410953	GCNWYKGSIZBJOY-CQSZACIVSA-N	224.259	3.384	0	1	BGAF	
CN1CC[C@H]2c3c([nH]c4ccccc34)CC[C@@H]2C1	40818547	DYADXWCUDMKIIG-VXGBXAGGSA-N	240.350	3.149	0	1	BGAF	
COc1ccc2c(c1)[nH]c1cc(O)c(C)cc12	45386934	UINLHXOQEZLAPM-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	
CCCC[C@@H]1OC(=O)c2cc(F)ccc21	49784623	NDKYYOSDIRGDMQ-NSHDSACASA-N	208.232	3.227	0	1	BGAF	
C[C@@H](CO)CCCC1=CC[C@@H](C(C)(C)O)CC1	14490171	RTRSZZNEAVOVSG-TZMCWYRMSA-N	240.387	3.283	0	1	BGAF	biogenic
[CH2-]c1c2ccc(Cl)cc2nc2[n+]1CCCCC2	28459007	NRSBDJTYDOITNU-UHFFFAOYSA-N	246.741	3.084	0	1	BGAF	
OCc1ccc(-c2cc3cc(O)ccc3o2)cc1	38458097	ZVQGHCMWTVKFSB-UHFFFAOYSA-N	240.258	3.298	0	1	BGAF	
Fc1ccccc1C1=N[C@H](c2ccccc2)CO1	40566841	MMGRLDUNRZEAQW-AWEZNQCLSA-N	241.265	3.344	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2C1=CC[C@]1(C)[C@@H](O)CC[C@H]21	95558384	MIZURHXEGUWOLO-ILHHOCCXSA-N	248.366	3.099	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@H]1CC=C(C)[C@H](O)[C@H]1O	231162359	SDAWXTDBEYZMMX-MXAVVETBSA-N	238.371	3.057	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)CC1(CC(C)(C)C1)O2	587406415	HETMBNDLNBOWRP-UHFFFAOYSA-N	245.322	3.101	0	1	BGAF	
CC[C@](C)(O)[C@@H]1CC=C(C)[C@@H](O)[C@H]1C=C(C)C	2356466371	CJDZRSPYLGEJSX-YJNKXOJESA-N	238.371	3.057	0	1	BGAF	
c1ccc(CCNc2ccnc3[nH]ccc23)cc1	28706818	ZGCJIEZVVOCXPN-UHFFFAOYSA-N	237.306	3.218	0	1	BGAF	
C[C@@H]1c2cc(Cl)c(Cl)cc2[C@H]2CNC[C@@H]12	36270544	VRECLQQMMYLGAN-WHFVKQHSSA-N	242.149	3.414	0	1	BGAF	
Nc1ncc(-c2ccccc2)n1C1CCCC1	66103525	NHUSDVAYQPBRNH-UHFFFAOYSA-N	227.311	3.247	0	1	BGAF	
OCCC1CCC(c2ccc(O)cc2)CC1	118447222	AKZHGJGZDRWJJU-UHFFFAOYSA-N	220.312	3.048	0	1	BGAF	
C[C@H]1Cc2cc(C(N)=O)sc2-c2ccccc21	653690485	BWUKIWPFHZBRNY-QMMMGPOBSA-N	243.331	3.174	0	1	BGAF	
Cn1cc(-c2csc(-c3cccnc3)c2)cn1	1857772084	CHGHQCOYGZKSAK-UHFFFAOYSA-N	241.319	3.211	0	1	BGAF	
CCCN1CC[C@H]2c3c(cccc3OC)CC[C@@H]21	13826498	HPUKPOAWHHZLIX-KGLIPLIRSA-N	245.366	3.209	0	1	BGAF	
CN[C@@]12CC=CC[C@H]1CSc1ccccc12	29569869	RWUGKZBKPGNVKR-FZMZJTMJSA-N	231.364	3.173	0	1	BGAF	
CCCC[C@H]1CN(C2CCCCC2)CC[C@@H]1N	96318672	MOCHGBZSRBVYPK-ZFWWWQNUSA-N	238.419	3.159	0	1	BGAF	
CC[C@H](C)CCCCc1cc(O)c(C)c(=O)o1	103291450	CWVDWOPGUAUQDD-JTQLQIEISA-N	238.327	3.413	0	1	BGAF	
c1csc(-c2c[n+]3ccccc3s2)c1	169318500	OVCQXPGYTZPSTK-UHFFFAOYSA-N	218.326	3.215	0	1	BGAF	
C1=C[C@@H]2c3c(nc4cccc5c4c3CC5)[C@@H]2C1	587216023	YJIGBUUQWRLOMN-WDEREUQCSA-N	219.287	3.474	0	1	BGAF	
Cc1[nH]c2ccc(F)c(Cl)c2c1-n1cccn1	587631747	LITBISFJHXLVTI-UHFFFAOYSA-N	249.676	3.455	0	1	BGAF	
CC(C)Cc1ccc([C@@H](C)[C@@H](N)N=O)cc1	957756674	HMDXZTMSVMICBD-MFKMUULPSA-N	220.316	3.040	0	1	BGAF	
CC(C)(C)C(=O)N1CCS[C@H]1c1ccccc1	1857556647	XSCNYCNANXCOJK-LBPRGKRZSA-N	249.379	3.307	0	1	BGAF	
CC1=CC[C@@H]([C@@](C)(N)CC=CC(C)(C)O)CC1	2356377608	GFOFMQYXBNROPZ-HIFRSBDPSA-N	237.387	3.167	0	1	BGAF	
CCC=CCC=CCCC=CC=C[C@@H](O)[C@H](C)N	2356791196	ILYNRSKFLRVBPQ-JKSUJKDBSA-N	249.398	3.500	0	1	BGAF	
N#Cc1ccc2[nH]c(-c3cccnc3)cc2c1	1517793	UQWVTAAQCNVHHH-UHFFFAOYSA-N	219.247	3.102	0	1	BGAF	
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN	64220767	JSVCWJJGZXDXLC-WNRVHTHHSA-N	249.357	3.488	0	1	BGAF	
CC=C=CCNC[C@H](C)c1ccccc1	84741215	GQQLARNLJDXQSI-LDLAIORQSA-N	201.313	3.111	0	1	BGAF	
O=N/C=C1/C=CN=C(SCc2ccccc2)N1	61862594	FKFPOESLPBHFRO-FLIBITNWSA-N	245.307	3.001	0	3	BGAF	
CC(C)=CCC[C@@H](C)[C@H]1C=C[C@](C)(O)[C@H](O)C1	14859825	YRFJMOGROZTYPC-BARDWOONSA-N	238.371	3.057	0	1	BGAF	endogenous,in-man
CN1C[C@H](c2ccc(Cl)cc2)CCC1=S	29558538	FTCLELCCXKHRQL-SNVBAGLBSA-N	239.771	3.477	0	1	BGAF	in-vivo
COc1cc(/C=C/c2ccccc2C)oc(=O)c1	33847669	QEZIFVUXOUNOIV-BQYQJAHWSA-N	242.274	3.127	0	1	BGAF	
CCCC1=NN(C(=O)OCC)[C@H](CCC)N=N1	40632185	GRWRDLSKWVDYEE-SNVBAGLBSA-N	240.307	3.151	0	1	BGAF	
C[C@@H]1CC(C)(C)N[C@H](CCc2ccccc2)O1	26818428	FTKMTKKBBQOHBM-OCCSQVGLSA-N	233.355	3.122	0	1	BGAF	
c1ccc(Oc2ccc(OCN3CC3)cc2)cc1	58582323	VCNBOOLRTIWWAR-UHFFFAOYSA-N	241.290	3.131	0	1	BGAF	
C=C/C(C)=C/[C@@]1(C)SC(=O)[C@H](CCC)C1=O	169693623	GVIJESVZAQVLAG-NNWFXZMQSA-N	238.352	3.136	0	1	BGAF	
C/C=C/C=C/C=C1/C=C[C@@]2(CCCCO2)O1	238748356	TYODKWRJEBJDRL-DRWHIWPZSA-N	218.296	3.486	0	1	BGAF	
Cc1ccc(-c2nc3cccc(O)c3[nH]2)c(F)c1	587146726	UJQZTNCWWGOPSM-UHFFFAOYSA-N	242.253	3.383	0	1	BGAF	
CCCCCC=Cc1c(O)ccc(O)c1CO	2356629773	PTXOZTNDVQYKHC-UHFFFAOYSA-N	236.311	3.184	0	1	BGAF	
O=C1c2c([nH]c3ccccc23)N=C2C=CC=C[C@H]12	2356732254	IWACMVDHGXUFAK-JTQLQIEISA-N	234.258	3.179	0	1	BGAF	
c1cnc2c(c1)[C@H](CCCn1ccnc1)CCC2	13808199	DZIACHPSWDVDES-ZDUSSCGKSA-N	241.338	3.178	0	1	BGAF	
CN1CCC[C@@H]1c1cc(-c2ccccc2)no1	27517259	NONKIUWFSVQOOU-CYBMUJFWSA-N	228.295	3.108	0	1	BGAF	
O=C1C=CC[C@H](CC23CC4CC(CC(C4)C2)C3)O1	72124398	NYFDHNMBEAUPFG-MHCOZEDOSA-N	246.350	3.465	0	1	BGAF	
CCC[C@@H]1C[C@@H]2CCc3nc(N)nc(c32)[C@H]1CC	238787451	APJOEHJDQUQJLP-VWYCJHECSA-N	245.370	3.402	0	1	BGAF	
Cc1cc(-c2cc3c4c(cccc4n2)CC3)no1	587213163	YNVUKILSJLHNOH-UHFFFAOYSA-N	236.274	3.297	0	1	BGAF	
Cc1ccc2oc(-c3ccoc3)cc(=O)c2c1	187374	ACIGWHKYXCSBNC-UHFFFAOYSA-N	226.231	3.361	0	1	BGAF	
CC1=C2CC[C@H](C)[C@@H]2C[C@H]2[C@H](C)C(=O)O[C@@H]2C1	15264480	LGGWYHIMEGQREQ-JDRXTOKYSA-N	234.339	3.321	0	1	BGAF	biogenic
C/C=C1\[C@@H]2C=C(C)C[C@]1(F)c1ccc(O)nc1C2	101210765	KBXWALUGKCDAGK-DHGMEZGQSA-N	245.297	3.421	0	1	BGAF	
CCO[C@@]1(C)Cc2ccc(C(C)C)c(O)c21	222129557	FZDZMACDWWZLNW-AWEZNQCLSA-N	220.312	3.323	0	1	BGAF	
c1ccc2sc(-c3cncnc3)cc2c1	299863169	ORDQJNOLIGZNOC-UHFFFAOYSA-N	212.277	3.358	0	1	BGAF	
CCN(CC)Cc1cc2c3c(cccc3n1)CC2	587214192	XAYUCVVOKBUFPU-UHFFFAOYSA-N	240.350	3.175	0	1	BGAF	
CC1(C)C=C[C@]2(CC1)NCCc1ccc(O)cc12	963341635	NZAZFHOTLSZEEK-MRXNPFEDSA-N	243.350	3.109	0	1	BGAF	
C[C@@H]1[C@@H]2C[C@H](C[C@H]1NCc1ccoc1)C2(C)C	1857631853	XTLPDZLICFVDDD-RUZUBIRVSA-N	233.355	3.440	0	1	BGAF	
CCCc1cc(=O)oc2cc3occc3cc12	64549859	AUARCAWJPYQPED-UHFFFAOYSA-N	228.247	3.492	0	1	BGAF	
COc1cc(CC=C(C)C)c(OC)c(OC)c1	95913552	WJWKAOZYWGTRKP-UHFFFAOYSA-N	236.311	3.221	0	1	BGAF	biogenic,in-vitro
Clc1ccc(C2[C@@H]3CC[C@@H]2CNC3)cc1	100786346	DQTXEZQCBHGHHZ-GHMZBOCLSA-N	221.731	3.053	0	1	BGAF	
c1ccc2c3c(ccc2c1)C1=NCCCN1S3	299865046	NBBRJZBTKVNBTL-UHFFFAOYSA-N	240.331	3.313	0	1	BGAF	
Cc1nccc2[nH]c(C3(F)CCCCC3)nc12	587131958	GRAZOJPNYFMMLW-UHFFFAOYSA-N	233.290	3.395	0	1	BGAF	
N=C(Nc1ccccc1Cl)c1cscn1	1857619871	WKCAWXLGMKDAQY-UHFFFAOYSA-N	237.715	3.234	0	1	BGAF	
CCOC(=O)/C=C/c1ccc2ccccc2c1O	27201173	GKOQVDAGVTZSIE-MDZDMXLPSA-N	242.274	3.122	0	1	BGAF	
CCO[C@H]1C[C@H]2C[C@@H](C3CCCCC3)O[C@H]2O1	103293554	ZFJLUPAQLYBAAP-RQJABVFESA-N	240.343	3.081	0	1	BGAF	
C[C@H]1CCCN1c1ccc2ncccc2c1	299861213	HVKYWOIKINNFPD-NSHDSACASA-N	212.296	3.224	0	1	BGAF	
CC[C@H]1OCCC[C@@H]1c1nc2ccccc2[nH]1	586914845	YPXUNGAVGAYWLL-GXFFZTMASA-N	230.311	3.236	0	1	BGAF	
CC[C@@H](C)c1ccc2[nH]c(C(N)=O)c(C)c2c1	587642326	LFRISSZSCOQYPH-MRVPVSSYSA-N	230.311	3.089	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H](C1)OC1(CCCC1)C[C@@]2(C)O	1857751795	HKFVZJVVSNYPEP-YIYPIFLZSA-N	238.371	3.275	0	1	BGAF	
CCCC[C@H](C)C=C(C)C=C(C)C(N)=O	2356541868	YVWNECBAHBJBSI-JTQLQIEISA-N	209.333	3.191	0	1	BGAF	
c1ccc2ncc(N3C4CCC3CC4)cc2c1	13474764	UBHIVYHRXXCNJV-UHFFFAOYSA-N	224.307	3.366	0	1	BGAF	
CC(C)[C@@H]1CC[C@@H](C)[C@@]23CC[C@@](C)(O)[C@@H]2[C@@H]13	14947736	KONGRWVLXLWGDV-ARSDKDGVSA-N	222.372	3.466	0	1	BGAF	biogenic
CC1=CCC[C@]2(C)CC[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12	40950034	IXDWMLXBELBEAC-DKBOKBLXSA-N	234.339	3.321	0	1	BGAF	
CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2C	45245664	DARDCPSPVMCXBW-UHFFFAOYSA-N	245.322	3.244	0	1	BGAF	
S=C(S)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]12	145487959	PWLXJBSAUKKGCM-KBDSZGMXSA-N	228.382	3.042	0	1	BGAF	
CSc1ccc2nc([C@@H](N)C(C)(C)C)[nH]c2c1	587258533	GFUFZLBYODQPII-LLVKDONJSA-N	249.383	3.331	0	1	BGAF	
CC1=CC[C@H](O)[C@H](C)C=C[C@@H](C(C)(C)O)CC1	2356561152	RBBWQOZTCXYKSH-RDBSUJKOSA-N	238.371	3.057	0	1	BGAF	
CCCC=CCCCC[C@@H](OC(C)=O)[C@H](C)N	2356788311	CBOFPIBXDPMNTN-GXTWGEPZSA-N	241.375	3.182	0	1	BGAF	
Oc1nc(S)sc1/C=C\c1ccccc1	169721197	TXAIOKFXRNQANW-SREVYHEPSA-N	235.333	3.308	0	1	BGAF	
CCc1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1	586900654	INBXONQROWFWHW-ZDUSSCGKSA-N	232.327	3.205	0	1	BGAF	
Cc1cncc2nc(-c3ccc(F)c(F)c3)[nH]c12	587145918	VQADSIYXRIWZAU-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
COC[C@H](C)c1cc2c3c(cccc3n1)CC2	587211633	IDFIAUJSFJJMQP-JTQLQIEISA-N	227.307	3.083	0	1	BGAF	
CCCC/C=C/c1nc2cncc(OC)c2[nH]1	587966057	RKTHDJWEUGMXKQ-VOTSOKGWSA-N	231.299	3.170	0	1	BGAF	
S=c1ccc2cc(Cn3ccnc3)ccc2o1	13586728	DUPWCRFJOVHQKN-UHFFFAOYSA-N	242.303	3.407	0	1	BGAF	in-vivo
Cc1cc2c(c(=O)o1)C=C1CCCC[C@@]1(C)O2	28820358	MTHDJHJGWILYLQ-CQSZACIVSA-N	232.279	3.057	0	1	BGAF	
CCCN1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21	29553029	LGRLJXCJYMYBLM-GDBMZVCRSA-N	245.366	3.296	0	1	BGAF	
CC(C)c1cc([C@@H](O)C(F)(F)F)ccc1O	84689811	UVTLKMSIFPENPV-SNVBAGLBSA-N	234.217	3.111	0	1	BGAF	
Cc1ccc(-c2c(C)cc3n2CCC3)o1	95620529	LDTMEECXWUGWBZ-UHFFFAOYSA-N	201.269	3.311	0	1	BGAF	endogenous,in-man
CC[C@H](C)c1nc2ccnc(Cl)c2[nH]1	587954664	AIGQNTJZIGVIJC-LURJTMIESA-N	209.680	3.125	0	1	BGAF	
Cc1coc2c1C[C@@]1(C)[C@@H](C(=O)O)CCC[C@@H]1C2	2356665125	VCWWNXMTMQUZKV-IXPVHAAZSA-N	248.322	3.194	0	1	BGAF	
COc1cc2occ(C)c2c2oc(=O)c(C)cc12	13652064	LJSSIFFFAIVZQC-UHFFFAOYSA-N	244.246	3.165	0	1	BGAF	
C/C1=C\[C@H]2OC(=O)[C@@H](C)[C@@H]2CC/C=C/CC1	238781376	TWYXTYZPUDIFIW-GAUINQKMSA-N	220.312	3.241	0	1	BGAF	
Fc1ccc2nc(-c3occ4c3CCC4)[nH]c2c1	586905640	XJDMQAMCDPAWCU-UHFFFAOYSA-N	242.253	3.451	0	1	BGAF	
CCc1cc2cc(N(C)C)ccc2nc1CC	653859607	SVKMRJSVMOCUME-UHFFFAOYSA-N	228.339	3.426	0	1	BGAF	
O=S1(=Nc2ccc(F)cc2)CCCCC1	1772610412	TVHRDRBTXXQTFZ-UHFFFAOYSA-N	227.304	3.109	0	1	BGAF	
Cc1cc(-c2ccc3c[nH]nc3c2)ccc1O	1857744767	URQLCQCFBLANFI-UHFFFAOYSA-N	224.263	3.244	0	1	BGAF	
CC(C)[C@@H](C)Cc1cc(=O)c2ccccc2[nH]1	2356686811	TWYLXVRZBCLGHB-NSHDSACASA-N	229.323	3.363	0	1	BGAF	
CC1=C[C@@H]2[C@H](C(C)C)CC[C@H](O)[C@@H]2CC1	2356753495	CZOVHVBPUXRRQZ-DGAVXFQQSA-N	208.345	3.386	0	1	BGAF	
CC(=O)[C@@H]1[C@@H]2CC(=O)C[C@]2(C)CCCC1(C)C	13306994	MMKGCZLPPJRCFV-GUTXKFCHSA-N	236.355	3.387	0	1	BGAF	biogenic
Fc1ccc(CNC23C[C@@H]4CC2C[C@@H](C4)C3)cc1	40980527	BVRAEKLZOJPYNK-KKNUOHPOSA-N	245.341	3.494	0	1	BGAF	
CCCc1nc2ccccn2c1NC(C)(C)C	73163368	MLKIISLOBFFTGL-UHFFFAOYSA-N	231.343	3.497	0	1	BGAF	
Cc1ccc2nc([C@@](C)(O)C(C)C)[nH]c2c1C	586887491	ISDSRRPWGZUGBE-AWEZNQCLSA-N	232.327	3.043	0	1	BGAF	
CC(C)C1=CC[C@](C)(O)[C@H]2CC=CC[C@@H]12	2356713811	SLQVJCSGLGJRIG-IHRRRGAJSA-N	206.329	3.306	0	1	BGAF	
C[C@@H]1C(=O)O[C@@H]2C=C3CCC[C@H](C)[C@]3(C)C[C@H]21	15201132	RQEWSAVTNKKKGY-CNQMMGNNSA-N	234.339	3.321	0	1	BGAF	biogenic
CCn1c2cc(O)ccc2c2ccnc(C)c21	49803510	PFFOZZWZWUMENS-UHFFFAOYSA-N	226.279	3.223	0	1	BGAF	
COc1ccc2c(c1)C(=O)C(c1ccccc1)=N2	169308441	AIJWSDQSALOWNY-UHFFFAOYSA-N	237.258	3.012	0	1	BGAF	
NC(=O)c1cc2c(s1)-c1ccccc1CCC2	653700878	ZOESZYPPGSJSKL-UHFFFAOYSA-N	243.331	3.003	0	1	BGAF	
CCN1CCCC12C1CC3CC(C1)CC2C3	3637389	AVCIHHZHVQVDPS-UHFFFAOYSA-N	219.372	3.297	0	1	BGAF	
COc1ccc(C(C)=O)cc1CC=C(C)C	14489192	MTRBWGUQPZONLL-UHFFFAOYSA-N	218.296	3.407	0	1	BGAF	biogenic
CC(C)c1ccc2c(c1)[C@@H]1OC(=O)N[C@@H]1CCC2	26643363	BXYOFMNACOROSI-KGLIPLIRSA-N	245.322	3.296	0	1	BGAF	
CN1C[C@H]2Cc3ccccc3[C@@H]1c1ccccc12	72114798	CAPLZWSPLRNADS-CXAGYDPISA-N	235.330	3.361	0	1	BGAF	
CCN1[C@H]2CC[C@H]1[C@@H](c1ccc(Cl)nc1)C2	253633349	JQIIXRVNUHNTBY-TUAOUCFPSA-N	236.746	3.075	0	1	BGAF	
Cc1[nH]c2cc(Cl)c(F)cc2c1N(C)C	587630561	LIOIZHACCCVSRX-UHFFFAOYSA-N	226.682	3.335	0	1	BGAF	
Nc1ccc2ncc(-c3ccc(F)cc3)nc2c1	1857572261	RYSRIWJYQZLLAR-UHFFFAOYSA-N	239.253	3.018	0	1	BGAF	
O=c1ccc2ccc(Cc3ccccc3)cc2o1	45254171	PZEMGEGOPYHFKI-UHFFFAOYSA-N	236.270	3.384	0	1	BGAF	in-vivo
CCS(=O)(=O)c1ccccc1-c1ccccc1	140749941	ZQZKMFDSDLTMHN-UHFFFAOYSA-N	246.331	3.147	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)[C@@H](C1CC1)C4)CC2	587214262	QATPTQJXGVAGKR-GFCCVEGCSA-N	221.303	3.383	0	1	BGAF	
CC1=Cc2nc3cccc4c3c(c2C1)CC4	587214627	CITFWLHUGGTSAU-UHFFFAOYSA-N	207.276	3.293	0	1	BGAF	
CCC[C@@H](C)C=Cc1oc(=O)cc(OC)c1C	2356674132	WVOBURFODMZGQW-SNVBAGLBSA-N	236.311	3.406	0	1	BGAF	
CNC(=S)OCC[C@H](C)CCCC(C)C	17193017	ROFSWVDUYGCIAG-LLVKDONJSA-N	231.405	3.360	0	1	BGAF	
CN(C)c1nc(-c2ccoc2)c2sccc2n1	29047923	VONRTYGRAFFNFN-UHFFFAOYSA-N	245.307	3.017	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C2	33771409	MHEQQQWHNMVBFL-IFUGULHKSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
CC1(C)O[C@@]23C[C@@H]1CC[C@]2(C)CCCC3=O	86048933	GZGANJGCMJYOEK-LEWSCRJBSA-N	222.328	3.093	0	1	BGAF	
CC1(C)CCC[C@]2(C)O[C@H]3C[C@@H]2C1=C[C@]3(C)O	238737329	NVJZUKOMNWFJRX-WCUVEOEZSA-N	236.355	3.051	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@H]1CC=C(C)[C@H](O)[C@@H]1O	254047901	SDAWXTDBEYZMMX-CYUUQNCZSA-N	238.371	3.057	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(O)cc2[nH]1	586887327	FZZZIKUEQJUBKT-RNCFNFMXSA-N	216.284	3.172	0	1	BGAF	
Cc1nc(NC2CCCC2)c(C)c(C)c1O	1772636207	ZMMFPGHEWIPNHL-UHFFFAOYSA-N	220.316	3.067	0	1	BGAF	
O=C(O)CCC=CCCCc1ccccc1	2356338182	OZVXSKKGSPDWPG-UHFFFAOYSA-N	218.296	3.430	0	1	BGAF	
c1ccc2c(c1)COc1ccccc1CO2	13439567	QULPROSNMUEIGQ-UHFFFAOYSA-N	212.248	3.158	0	1	BGAF	biogenic
CC1=C2C[C@@H]3[C@H](CC(C)=C2C=C1)OC(=O)[C@H]3C	15264828	CLYNYTSBNBKWKO-BPNCWPANSA-N	230.307	3.161	0	1	BGAF	biogenic
CC1=C2C[C@]3(C)[C@@H](C)CCC[C@H]3C[C@H]2OC1=O	85725639	AEQDXSFIHGWHDV-SQWGHXPGSA-N	234.339	3.465	0	1	BGAF	
CC(=CC[C@@H]1N[C@@H](c2ccoc2)CC[C@H]1C)CO	2356404698	VACAXMGPQVSASV-VHDGCEQUSA-N	249.354	3.038	0	1	BGAF	
COc1ccc(C2=Nc3ccccc3C2=O)cc1	3167361	GIZFWLIYQQKDBT-UHFFFAOYSA-N	237.258	3.012	0	1	BGAF	
CCCCCNc1ncnc2c1ncn2C(C)C	13538249	AMSMNMRBNPBCEI-UHFFFAOYSA-N	247.346	3.009	0	1	BGAF	
O[C@@H]1C=CC2=CCc3cccc4ccc1c2c34	85589610	CDYIVSAQQUIYKS-CQSZACIVSA-N	220.271	3.383	0	1	BGAF	endogenous,in-man
Fc1ccccc1C1=NO[C@H]2CCCC[C@H]12	95576209	YOBUQGRUJZGIRC-JQWIXIFHSA-N	219.259	3.119	0	1	BGAF	
CN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@H]1C2	100954909	ZTAVWHFBEHNKCY-WHOFXGATSA-N	213.324	3.088	0	1	BGAF	
C[C@H]1CCC(Nc2cccc3c2CCC3)=N1	142978041	HRZOPOFYPWUPEJ-JTQLQIEISA-N	214.312	3.168	0	1	BGAF	
CC1=C[C@H]2C3=C(C)C(=O)OC3=C[C@H](C)[C@H]2CC1	523041874	URQSHIUUUUGZPU-MVWJERBFSA-N	230.307	3.366	0	1	BGAF	biogenic
COc1ccc(OC)c([C@H]2OCCC=C[C@@H]2C)c1	7992239	KKNQIKFFKQJXFR-NHYWBVRUSA-N	248.322	3.358	0	1	BGAF	
CC1=C2C=C3[C@H](C)CCC[C@@]3(C)C[C@@H]2OC1=O	15207385	CGVHAHMLYINLQL-DVJZZOLTSA-N	232.323	3.385	0	1	BGAF	biogenic
Cc1ccc2c(c1)CN(CC(C)C)C(=S)N2C	58591641	DEVVLYLHHGRTIK-UHFFFAOYSA-N	248.395	3.188	0	1	BGAF	
C(=C/c1c[nH]c2ccncc12)\c1cccnc1	72107201	VCHIGYDMJYURNY-ONEGZZNKSA-N	221.263	3.128	0	1	BGAF	
CC[C@H](CC[C@@H](C)O)c1ccccc1O	95578477	MNFQHIIBMUWNNS-GHMZBOCLSA-N	208.301	3.047	0	1	BGAF	
CN1C[C@@H]2Cc3ccccc3[C@@H]1c1ccccc12	101643540	CAPLZWSPLRNADS-SUMWQHHRSA-N	235.330	3.361	0	1	BGAF	
O=C1CCCC[C@H]1CC[C@@H]1CCCCC1=O	238758628	PHXJQWXJIQTVIY-RYUDHWBXSA-N	222.328	3.285	0	1	BGAF	
CC[C@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1	587955703	KUUZQDQDDLEPDN-LURJTMIESA-N	243.232	3.490	0	1	BGAF	
Cc1ccnc2c1CCN[C@@]21C[C@H](C)CC1(C)C	963066356	GWQUMQCARHISBH-BZNIZROVSA-N	244.382	3.187	0	1	BGAF	
Cc1cc2ccc(Cl)cc2n1-c1cnn(C)c1	1772632092	MSVDDIKMRPUQGQ-UHFFFAOYSA-N	245.713	3.326	0	1	BGAF	
CC(C)(O)[C@@H]1CC=C2CCC[C@@](C)(O)[C@@]2(C)C1	2356323336	BTDUEFQBQIZNRY-VHDGCEQUSA-N	238.371	3.035	0	1	BGAF	
CN1C=Cc2c([nH]c3ccc(Cl)cc23)C1	2356833482	KGNWRVCLJJKBJS-UHFFFAOYSA-N	218.687	3.237	0	1	BGAF	
COc1ccc2cc(-c3cncnc3)ccc2c1	13674494	NTAKRPRPHWFEKU-UHFFFAOYSA-N	236.274	3.305	0	1	BGAF	
C=C[C@](C)(O)C[C@@H]1C=C(C)C[C@H](C=C(C)C)O1	15160393	NNCJOVBGLCRHAN-KKUMJFAQSA-N	236.355	3.384	0	1	BGAF	biogenic
Cc1cc2c(cc1O)[C@@H](C)CCC(=O)C(C)(C)O2	15161559	VJVVYUVZTHZNCD-VIFPVBQESA-N	248.322	3.324	0	1	BGAF	biogenic
COc1ccc2c(c1)CC[C@@H]1CC(=O)CC[C@H]21	29483249	BSMHBSGELIACIM-YGRLFVJLSA-N	230.307	3.094	0	1	BGAF	
C[C@H]1Cc2c([nH]c3ccccc23)-c2n[nH]cc21	96922159	OEEBTEWVXHYZRM-QMMMGPOBSA-N	223.279	3.218	0	1	BGAF	
Cc1ccc([C@H]2CN(C)Cc3ccccc32)o1	473220549	NPFSYWQNMCUQFC-AWEZNQCLSA-N	227.307	3.165	0	1	BGAF	
C[C@H](O)CCCc1cnc2cccc3c2c1CC3	587215656	LFIACYQOGYVQGJ-NSHDSACASA-N	241.334	3.037	0	1	BGAF	
O=C(C1CCCC1)N1N=CC[C@H]1c1ccccc1	1857559954	QKVJJBFCEGFPPG-AWEZNQCLSA-N	242.322	3.136	0	1	BGAF	
CC[C@H](C)C=C(C)c1cc(OC)c(C)c(=O)o1	2356733649	LTIPOSPLWJFHFJ-VIFPVBQESA-N	236.311	3.406	0	1	BGAF	
Fc1ccccc1-c1cc2ncccc2cn1	36388896	IXQYVRFJMOHGLU-UHFFFAOYSA-N	224.238	3.436	0	3	BGAF	
C/C(Br)=C1/CC[C@@H](C(C)C)C(=O)O1	29208724	ZAMIZDLDSUXLBT-INTFFVIUSA-N	247.132	3.222	0	1	BGAF	
Cc1cc2[nH]c3c(c2cc1C)C[C@H](N(C)C)CC3	39214039	ZDJYJXUICSAKDF-GFCCVEGCSA-N	242.366	3.204	0	1	BGAF	
CCCN1CC[C@H]2C[C@@H](C1)c1ccccc12	39221695	QIKLPQPZTPCUNY-STQMWFEESA-N	215.340	3.373	0	1	BGAF	
CCCN1CC[C@@]2(c3ccc(O)cc3)CC[C@H]1C2	253664218	NEHTUDBJCBLDNI-HOCLYGCPSA-N	245.366	3.298	0	1	BGAF	
CC(=CCl)c1cc2cc(C(N)=O)ccc2o1	2356393354	HUGNXSRJPVDDNZ-UHFFFAOYSA-N	235.670	3.131	0	1	BGAF	
O=C1NC2(CCCCC2)[C@H]2CCCCC[C@@H]12	1619813	YSQPZBDEMHFNCQ-NEPJUHHUSA-N	221.344	3.016	0	1	BGAF	
CC1(C)CCC[C@@]2(C)C3=C(C=C[C@H]12)C(=O)OC3	15148144	IQJQVMRLNOWNDT-DOMZBBRYSA-N	232.323	3.242	0	1	BGAF	biogenic
Cc1ccc(O)c([C@]2(C)CCC[C@]2(C)CO)c1	15273677	AOYZAQMDZPHFIS-CABCVRRESA-N	234.339	3.141	0	1	BGAF	biogenic
C/C(=C\c1cc(C2=CCCCC2)co1)C(N)=O	653738165	PKSXKSHZCUMXBC-JXMROGBWSA-N	231.295	3.126	0	1	BGAF	
CCC[C@H](O)CC(=O)CCc1ccc(C)c(C)c1	1911571360	LEHGPOFYEGZZMJ-HNNXBMFYSA-N	248.366	3.356	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@H](C)CCC(=O)[C@@H]2CC1=O	2356801537	RORXDJQKHFUGBV-OXJKWZBOSA-N	236.355	3.243	0	1	BGAF	
C[C@@H]1C=C2C(=O)OCC2=C[C@H]2CC(C)(C)C[C@@H]12	6030585	SKKVKZCMCUKCDI-NRUUGDAUSA-N	232.323	3.098	0	1	BGAF	biogenic
c1ccc(C2=NC[C@H](c3ccccc3)O2)cc1	13460488	AORHJOUBDGUERJ-CQSZACIVSA-N	223.275	3.205	0	1	BGAF	biogenic
CN[C@H]1Cc2c[nH]c3cccc(c23)[C@H]1C=C(C)C	14693437	NGJMPUDCQIYVMS-HIFRSBDPSA-N	240.350	3.362	0	1	BGAF	biogenic
CN1CC[C@@H]2CCc3[nH]c4ccccc4c3[C@H]2C1	26817575	BOBVEDPUIUXBRK-AAEUAGOBSA-N	240.350	3.149	0	1	BGAF	
CC(C)=C[C@H]1NCCc2c[nH]c3cccc1c23	28538089	ZTSJEOWZNBPNQS-CQSZACIVSA-N	226.323	3.321	0	1	BGAF	
C[C@H](C(=O)c1ccccc1)c1cccnc1	29489587	NFHIPZYAYZPXJE-NSHDSACASA-N	211.264	3.068	0	1	BGAF	in-vivo
CC1=CC[C@@]23C[C@@H]1[C@](C)(CO)[C@@H]2CC[C@H]3C	33952734	PPTXKCYXNDLKTQ-QTVXIADOSA-N	220.356	3.387	0	1	BGAF	
C=CC(=O)Nc1cccc(CC(=O)CCCC)c1	53294043	ULQDDKCPNBLKTC-UHFFFAOYSA-N	245.322	3.113	0	1	BGAF	
COc1ccc(/C=C/CO)cc1OCC=C(C)C	238776279	OHYNDJJEQNDIQL-SNAWJCMRSA-N	248.322	3.046	0	1	BGAF	
Cc1nccc2[nH]c(-c3occ4c3CCC4)nc12	586905382	NIQOIONTFFHHIM-UHFFFAOYSA-N	239.278	3.015	0	1	BGAF	
C[C@@]1(CF)CC(=O)c2ccc3c(c2O1)CCCC3	587505333	KIHXREHTWCIHIG-HNNXBMFYSA-N	248.297	3.259	0	1	BGAF	
CCCCCc1nc2cc(NC(C)=O)ccc2[nH]1	28000474	JOGVEJFWNMYIGL-UHFFFAOYSA-N	245.326	3.254	0	1	BGAF	
Clc1ccccc1[C@@H]1CCc2nc[nH]c2C1	40875201	QJISVABLQCOWQF-SECBINFHSA-N	232.714	3.336	0	1	BGAF	
COC(=O)c1cc(C)cc2c1[nH]c1ccccc12	53243814	KMINKHPSENILJV-UHFFFAOYSA-N	239.274	3.416	0	1	BGAF	
Fc1cc(F)c2[nH]c(C3=CCCC3)nc2c1	586885073	UISPOJBJUPJMIA-UHFFFAOYSA-N	220.222	3.408	0	1	BGAF	
O=C(O)/C(O)=C/c1ccc(-c2ccsc2)cc1	1857547634	WKWCARCHYWKVNM-GHXNOFRVSA-N	246.287	3.399	0	1	BGAF	
C[C@@H]1CCC(=O)[C@@](C)(O)C=C2CC(C)(C)C[C@H]21	2356484241	OAXGQQKOWZKFRJ-GMXABZIVSA-N	236.355	3.099	0	1	BGAF	
CC1=C[C@@H]2OC(=O)[C@H](C)[C@@H]2CCC=CCC1	2356647691	TWYXTYZPUDIFIW-AGIUHOORSA-N	220.312	3.241	0	1	BGAF	
CC1(C)CCCCC[C@@](C)(CCCO)C1=O	5538600	XUSLTPZOZMXZSJ-AWEZNQCLSA-N	226.360	3.325	0	1	BGAF	
C[C@@H]1CCN(CC2CC2)CCc2ccc(O)cc21	6030931	KXELLSSTRSGFIW-GFCCVEGCSA-N	245.366	3.154	0	1	BGAF	
C[C@H]1CN(C)[C@@H]2CCC[C@@]1(c1cccc(O)c1)C2	29477169	PQXPFPOEHHHJSJ-JGGQBBKZSA-N	245.366	3.154	0	1	BGAF	
CCCCCOCc1cc(=O)c2ccccc2[nH]1	169308208	KRPDJIQQUSHKTM-UHFFFAOYSA-N	245.322	3.235	0	1	BGAF	
CN(C)c1cccc(-c2cccc(N(C)C)c2)c1	653857559	WHOYUQYNLRDXJK-UHFFFAOYSA-N	240.350	3.486	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@]2(C)N)C1(C)C	2356408616	LBMJBUMOPKGEDQ-JWOJSXKRSA-N	221.388	3.432	0	1	BGAF	
COc1cc(/C=C/c2ccoc2)cc(OC)c1	13471767	UUOXVOMLPNADJK-ONEGZZNKSA-N	230.263	3.467	0	1	BGAF	in-vivo
Cc1ccc2c(c1C)C[C@H](C(C)(C)O)CC2	34519259	MXWNBEGGJOONGS-CYBMUJFWSA-N	218.340	3.179	0	1	BGAF	
c1cncc(-c2cccc(-c3ccco3)n2)c1	40379580	ATYZZBGMKYAQJY-UHFFFAOYSA-N	222.247	3.404	0	1	BGAF	
Cc1cccc(/N=c2\ssnc2Cl)c1	66167343	OPBVEGBRJGQOIK-LUAWRHEFSA-N	242.756	3.399	0	1	BGAF	
Fc1cccc(-c2cnc3ccccc3n2)c1	96915126	GJHMGMRPGSKBGU-UHFFFAOYSA-N	224.238	3.436	0	1	BGAF	
CC(C)(Cl)c1nc2cc(F)ccc2[nH]1	115299753	OYNULXKZBLRCQD-UHFFFAOYSA-N	212.655	3.176	0	1	BGAF	
Fc1ccc(Nc2ccc3cc[nH]c3n2)cc1	144618160	XKZKHISELJGTTN-UHFFFAOYSA-N	227.242	3.446	0	1	BGAF	
Nc1ccc2c(c1)[C@@H](N=O)c1ccccc1-2	169693337	PPTBRYIYIDOUJM-ZDUSSCGKSA-N	210.236	3.105	0	1	BGAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@@]21CC[C@@H]3CO	238749657	LGCJLUHHIWNSGQ-XLFUENPSSA-N	222.372	3.467	0	1	BGAF	
CC1=C[C@@H]2O[C@]3(C)C[C@H](O)C[C@]3(C)[C@@]2(C)CC1	2356587870	AEVRZHUASKUUBI-GZBLMMOJSA-N	236.355	3.051	0	1	BGAF	
CCC=CCC=CCCC=CC=C[C@H](O)[C@H](C)N	2356791194	ILYNRSKFLRVBPQ-HOTGVXAUSA-N	249.398	3.500	0	1	BGAF	
CCCCOc1ccc(-n2ccnc2C)cc1	13530155	DIVNKPFJAVQFJM-UHFFFAOYSA-N	230.311	3.360	0	1	BGAF	
COc1ccc2c(c1)[nH]c1c(C)c(O)ccc12	45338318	RIJSNBRRNAZSDA-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	
CCC[C@H]1OC(=O)[C@@H]1CCCc1ccccc1	1857533857	HKHZTKGMFLUIEY-ZIAGYGMSSA-N	232.323	3.351	0	1	BGAF	
O=C1N2CCCCC1(c1ccccc1)CCCC2	95605471	ZZIVNKYMFGXGIF-UHFFFAOYSA-N	243.350	3.121	0	3	BGAF	
O=C1C=CC[C@H](c2ccc3ccccc3c2)O1	40934530	UNSFYAHOHKSKEM-CQSZACIVSA-N	224.259	3.384	0	1	BGAF	
COC(=O)c1ccc2c(c1)[nH]c1cc(C)ccc12	53297662	UFXIHZWQCNKOSA-UHFFFAOYSA-N	239.274	3.416	0	1	BGAF	
C[C@@H]1CC[C@H](O)[C@@]23C[C@@H]4[C@@H](C[C@@]12C)[C@@]4(C)C3	102945432	VMCKVEZJNIGBQQ-VVRFCBCGSA-N	220.356	3.220	0	1	BGAF	
O=C1CCC[C@@H](c2nc3cccc(F)c3[nH]2)CC1	586884208	LNTCDBABPBTNCC-SECBINFHSA-N	246.285	3.319	0	1	BGAF	
Oc1c(F)cc(F)cc1-c1nc2ccccc2[nH]1	587134976	YSLXLMPPYYNNTJ-UHFFFAOYSA-N	246.216	3.214	0	1	BGAF	
c1ccc(Cc2ccccc2-c2cnn[nH]2)cc1	1857567018	ZZPBOFNKSSTNIO-UHFFFAOYSA-N	235.290	3.063	0	1	BGAF	
CC(C)CNC(=O)C=CC=CCc1ccccc1	2356594471	APSXSFZATMGGAT-UHFFFAOYSA-N	243.350	3.114	0	1	BGAF	
Cc1cc(C)c2c(c1)[C](N)C1=C(CCCC1)N2	2356849035	VHTWBWDJWNFXIR-UHFFFAOYSA-N	227.331	3.396	0	1	BGAF	
C/C(C(=O)NC1CC1)=C(\C)c1ccc(Cl)cc1	1567558	SDHSWSFAQOTVMR-KTKRTIGZSA-N	249.741	3.412	0	1	BGAF	
CC(C)CC(=O)Oc1ccc([C@@H]2O[C@@H]2C)cc1	14504137	XJCYTMWTYJBKQV-QMTHXVAHSA-N	234.295	3.098	0	1	BGAF	biogenic
COC(=O)c1cc2c(cn1)sc1ccccc12	26830976	OMAYNBSQUIYKJC-UHFFFAOYSA-N	243.287	3.236	0	1	BGAF	
C/C=C(C)/C=C(\C)[C@@H](O)[C@@H](C)C(=O)CCC	34181789	DVSSWRPHWSGOFM-FNHOOIRLSA-N	224.344	3.265	0	1	BGAF	
CC(=O)CC[C@H]1[C@@H]([C@@H]2C(=O)CC[C@@H]2C)C1(C)C	85850687	ZIRTVHDRHVNBGO-RETIQXCHSA-N	236.355	3.243	0	1	BGAF	
CSC(=S)/C=C(\O)c1ccccc1	100059436	VSZUJXAFANYLAI-CLFYSBASSA-N	210.323	3.276	0	1	BGAF	
C[C@H]1CC[C@]23[C@H](C)C(C(=O)O)=C[C@@]2(C)CC[C@H]13	238732164	CHNBWELDSKEAGB-AGFYPYCWSA-N	234.339	3.480	0	1	BGAF	
CC[C@@H](C)c1nc2c(Cl)ccnc2[nH]1	587955289	GYFKIJYKWFJEMZ-ZCFIWIBFSA-N	209.680	3.125	0	1	BGAF	
C[C@H]1CCN(CC2CC2)CCc2ccc(O)cc21	6037598	KXELLSSTRSGFIW-LBPRGKRZSA-N	245.366	3.154	0	1	BGAF	
Cc1sc(C)c2c1SCc1cnn(C)c1-2	13537764	LQNRJKXALVHLGB-UHFFFAOYSA-N	236.365	3.371	0	1	BGAF	
CC1=CC(=O)[C@H]([C@@H](C)CCC[C@H](C)CO)CC1	14859934	MAXNBGSKPQFIED-IHRRRGAJSA-N	238.371	3.347	0	1	BGAF	biogenic
CC(C)[C@@](C)(O)c1nc2ccc(Cl)cc2[nH]1	586886364	FYCJPBGXXABACP-GFCCVEGCSA-N	238.718	3.080	0	1	BGAF	
CC(=O)SCCC(=O)c1coc2ccccc12	587280782	AXVVDWUMONBEHJ-UHFFFAOYSA-N	248.303	3.285	0	1	BGAF	
C[C@H]1C/C(=C\C(C)(C)O)[C@H](C(=O)c2ccoc2)C1	15210242	OIRMTEOVICFHJP-NTVZQBGLSA-N	248.322	3.206	0	1	BGAF	
CCNC12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2	100801988	FTXVGNKOUJOOHU-CEUNDQEZSA-N	207.361	3.345	0	1	BGAF	
CC1=C2[C@@H](CC1)[C@@H](C)CC[C@H]1[C@@H]2[C@]1(C)CO	238733747	JMSSTQPVSJKNKO-XTRIDRKHSA-N	220.356	3.387	0	1	BGAF	
CN1C[C@H]2c3ccccc3[C@H]1[C@@H]1CCC[C@@H]21	253669650	SYUCGKZXQQTLMH-RZFFKMDDSA-N	213.324	3.187	0	1	BGAF	
C1=C(c2nc3cc4ccccc4cc3[nH]2)CCO1	586913214	OLXUZDLACAXYBK-UHFFFAOYSA-N	236.274	3.477	0	1	BGAF	
CC(C)[C@H]1OC(=O)[C@@H]1CCCc1ccccc1	1857613197	ZNZRDTZGOYRHHC-ZIAGYGMSSA-N	232.323	3.207	0	1	BGAF	
Cc1cccc(C(=O)n2ccc3cccnc32)c1	1857766185	KOIGYJUQQMBBDJ-UHFFFAOYSA-N	236.274	3.033	0	1	BGAF	
C[C@@H](OCCCc1ccccc1)n1ccnc1	4631792	HAIOODZMEIPPDE-CYBMUJFWSA-N	230.311	3.051	0	1	BGAF	
Cc1cc(Cl)c(OC[C@H](C)O)c(Cl)c1	169345678	ARGLHPOHOYRVME-ZETCQYMHSA-N	235.110	3.061	0	1	BGAF	
Cc1[nH]nc2cnc(-c3cccc(F)c3)cc12	205249366	LFMINPINAFSSSS-UHFFFAOYSA-N	227.242	3.072	0	1	BGAF	
Clc1ccnc2[nH]c(C3=CCCC3)nc12	586882857	CLRQIPWGWKCQTE-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
CC[C@@H](C)c1nc2c(C)cnc(Cl)c2[nH]1	587956214	OHEMYFMKGJXCDU-ZCFIWIBFSA-N	223.707	3.433	0	1	BGAF	
CCC[C@H](C)C=Cc1oc(=O)cc(OC)c1C	2356674131	WVOBURFODMZGQW-JTQLQIEISA-N	236.311	3.406	0	1	BGAF	
Cc1cccc(N2O[C@H]3C=C[C@H]2CCCC3)n1	102893090	CNQWJQKLUHAZBZ-CHWSQXEVSA-N	230.311	3.009	0	3	BGAF	
C/C1=C/CC(=O)[C@H](C)CC[C@H](C(C)(C)O)CC1	14453726	DWMJDYZSFOSGLA-RLLAQXBXSA-N	238.371	3.489	0	1	BGAF	endogenous,in-man
Cc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1	24802816	KJUSXMYSVXZFDJ-UHFFFAOYSA-N	249.317	3.427	0	1	BGAF	in-vivo
OC1=NC(=S)S/C1=C\CCc1ccccc1	26276584	MQGDNCQQZIVEPY-NTMALXAHSA-N	249.360	3.491	0	1	BGAF	
c1ccc(CNC23C[C@@H]4CC(C[C@@H](C4)C2)O3)cc1	40379295	YRARHZZXNYBCEZ-PJPHBNEVSA-N	243.350	3.081	0	1	BGAF	
Cc1ccc2[nH]c3c(c2c1)CCCc1c[nH]nc1-3	82155333	HXOCHCAABXQQEI-UHFFFAOYSA-N	237.306	3.355	0	1	BGAF	
COC(=O)c1ccc2n1C1C[C@@H]3CC2C[C@@H](C1)C3	102979422	MRWCFDRJSCBATG-JYBOHDQNSA-N	245.322	3.123	0	1	BGAF	
CO/C(O)=C1\Sc2ccccc2N=C1C	103521259	PINXGSRURWNTIM-KHPPLWFESA-N	221.281	3.258	0	1	BGAF	
Nc1ncnc2ccc(-c3ccccc3F)cc12	148875237	QXLQLLGENXRQOR-UHFFFAOYSA-N	239.253	3.018	0	1	BGAF	
Nc1ccc2oc(-c3ccc(O)cc3)cc2c1	473115904	VMEMQGBKMHAUJP-UHFFFAOYSA-N	225.247	3.388	0	1	BGAF	
CCCC1(c2nc3ccc(CO)cc3[nH]2)CCC1	586877742	NBUCKSJEDFWSJC-UHFFFAOYSA-N	244.338	3.277	0	1	BGAF	
COc1nccc2nc(C3(F)CCCCC3)[nH]c12	587132725	UBAMTXFQUVDQBL-UHFFFAOYSA-N	249.289	3.095	0	1	BGAF	
Cc1ccn(-c2c(C)[nH]c3cccc(F)c23)n1	587634942	CBPKOFZBWZKDSB-UHFFFAOYSA-N	229.258	3.110	0	1	BGAF	
O=C1N[C@H]2CCCCC[C@H]2C12CCCCC2	1619817	PABSYTWLIILZFU-NEPJUHHUSA-N	221.344	3.016	0	1	BGAF	
C[C@H]1N(C)[C@H]2CCC[C@@]1(c1ccccc1)C2	101256352	IJKVNCVULMELLQ-VHDGCEQUSA-N	215.340	3.201	0	1	BGAF	
CCN(CC)C12C3[C@@H]4CC[C@H]1[C@@H]4[C@H]1[C@H]3CC[C@H]12	169349771	GDVMUULPVWCANP-ACDKVIROSA-N	231.383	3.009	0	1	BGAF	
C[C@H]1CCCN1CCc1cc2ccccc2[nH]1	29130740	WBMVFDFFHCFFBG-LBPRGKRZSA-N	228.339	3.195	0	1	BGAF	
CCCC[n+]1c(C)ccc2ccccc21	37630478	MHRGKSOICMHZCF-UHFFFAOYSA-N	200.305	3.236	0	1	BGAF	
CC1=C(CC2=NC[C@H](C)N2)CCc2ccccc21	100688734	YPXLBVJTQGGGAM-NSHDSACASA-N	240.350	3.187	0	1	BGAF	
CCc1ccc(Cc2cc(N)cc(N)c2)cc1	103212230	YZDHLXGVEKRGCJ-UHFFFAOYSA-N	226.323	3.004	0	1	BGAF	
C/C=C/c1ccc(OC(=O)C(C)C)cc1	136917533	LJEWVBGJLXRKQV-SNAWJCMRSA-N	204.269	3.281	0	1	BGAF	
Cc1cc(-c2cc3c4c(cccc4n2)CC3)n(C)n1	587210415	AQSUMRYEPNCTED-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
N[C]1C2=C(CCC2)Nc2ccc(Cl)cc21	2356867204	FKVIYIXDWXXACB-UHFFFAOYSA-N	219.695	3.042	0	1	BGAF	
CCC[C@H](C(=O)c1cccc(C)c1)N1CCCC1	13682118	HHSYAWUBPBEDMP-OAHLLOKOSA-N	245.366	3.442	0	1	BGAF	in-vivo
CC(=O)CCC/C(C)=C\CC/C(C)=C/CO	14493329	VZDNKMDQWSQDRS-DLAMJYEASA-N	224.344	3.411	0	1	BGAF	
COc1cc2c3c(cccc3c1)O[C@H](C)C2	14885008	QMFJRJVAWNHPDK-SECBINFHSA-N	214.264	3.172	0	1	BGAF	biogenic
CCCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587404207	CIEQHCSKAHCEIF-NSHDSACASA-N	247.338	3.491	0	1	BGAF	
CC(C)(O)C=CC[C@@]1(C)C2C[C@H]3[C@@H](C2)C31C	2356442753	OHRVTGGRAFBYNX-GBZPBQOJSA-N	220.356	3.386	0	1	BGAF	
CC=C(C)C=C(C)[C@@H](O)[C@H](C)C(=O)CCC	2356618717	DVSSWRPHWSGOFM-TZMCWYRMSA-N	224.344	3.265	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](C)CCC(=O)C(C)(C)O2	15161557	VJVVYUVZTHZNCD-SECBINFHSA-N	248.322	3.324	0	1	BGAF	biogenic
CC1=CCC[C@]2(C)[C@H]1C(=O)O[C@@H]2c1ccoc1	15217800	CKJJQJLXFWVISP-YRGRVCCFSA-N	232.279	3.240	0	1	BGAF	biogenic
COc1cccc2nc(C(C)(C)Cl)[nH]c12	587008401	OMVSEMPHJWVJMS-UHFFFAOYSA-N	224.691	3.045	0	1	BGAF	
CC[C@H]1Cc2nc3cccc4c3c(c21)CC4	587214653	CPTRHABYDJANSQ-VIFPVBQESA-N	209.292	3.383	0	1	BGAF	
CC=CC=CC=CC=CC(=O)NCC(C)C	2356284231	SNFDOCOZZFRJEQ-UHFFFAOYSA-N	219.328	3.003	0	1	BGAF	
COc1cc(/C=C/c2ccco2)cc(OC)c1	13553964	IBIHZJOHNFFSBC-AATRIKPKSA-N	230.263	3.467	0	1	BGAF	
c1ccc2c(OCCc3c[nH]cn3)cccc2c1	13758846	ZHROCCFQLIDXHR-UHFFFAOYSA-N	238.290	3.184	0	1	BGAF	
C[C@@H]1CC[C@@H]2COC(=O)C2=C2CC(C)(C)C[C@H]21	14769138	BQADRYZOMNHMRC-MXWKQRLJSA-N	234.339	3.322	0	1	BGAF	biogenic
CCCCNc1ncc(-c2ccc(OC)cc2)[nH]1	72111422	QEYTWJHOAUBEHX-UHFFFAOYSA-N	245.326	3.297	0	1	BGAF	
CC[C@@H](O)C(=O)OCCCCC1CCCCC1	95572745	WRGZUYIQNOJIDA-CYBMUJFWSA-N	242.359	3.051	0	1	BGAF	
N[C@@H]1[C@@H]2CC[C@@H]1c1c(cccc1C(F)(F)F)C2	100698622	FNNWVHKNBUNHFU-KBVBSXBZSA-N	241.256	3.082	0	1	BGAF	
c1cc2cc(Nc3ccc4cc[nH]c4n3)cnc2[nH]1	144955183	QTMSBGZHXSFRAT-UHFFFAOYSA-N	249.277	3.183	0	1	BGAF	
Cc1ccc2nc(/C=C/c3ccsc3)[nH]c2n1	587026644	WGAODZDQDFJIDK-HWKANZROSA-N	241.319	3.498	0	1	BGAF	
CCc1nccn1-c1c(C)[nH]c2cccc(F)c12	587636370	YOPLEHHDWNQMEJ-UHFFFAOYSA-N	243.285	3.364	0	1	BGAF	
CC(C)[C@@H]1C=C[C@H](C)[C@]23CC[C@](C)(O)[C@H]2[C@@H]13	2356331613	LMCRYOCEDDKMQA-SAAWNECCSA-N	220.356	3.242	0	1	BGAF	
Cc1ccc2c(c1)O[C@H](C[C@@H](C)O)C[C@H]2C	2356874188	YTSLUCUOKPWEMY-UTUOFQBUSA-N	220.312	3.021	0	1	BGAF	
C[C@@H]1C(=O)O[C@H]2C[C@@]3(C)CCC[C@@H](C)C3=C[C@H]21	15207399	UHXFRFWUSTUALX-JNOZFCTMSA-N	234.339	3.321	0	1	BGAF	biogenic
C[C@@H]1CC[C@@H](Oc2cccc3ccc(N)nc23)C1	28383608	XSBYTVRYECCAPQ-ZYHUDNBSSA-N	242.322	3.384	0	1	BGAF	in-vivo
CC1=CC[C@](O)([C@H](C)CC/C=C(/C)CO)CC1	70455039	KNGVJRHBQKQKMD-RZAHBXAWSA-N	238.371	3.203	0	1	BGAF	biogenic,in-vitro
Oc1nc(S)sc1/C=C/Cc1ccccc1	169716552	BTPCAHBZSIVEEO-XBXARRHUSA-N	249.360	3.393	0	1	BGAF	
C=CC(=O)Nc1nc(-c2ccccc2F)cs1	1857543457	OMZORENUQLLSLU-UHFFFAOYSA-N	248.282	3.074	0	1	BGAF	
CCc1c(C)n(C)c2ccc(N(C)C)cc12	1685344	MVBMCSOTTKNKHD-UHFFFAOYSA-N	216.328	3.115	0	1	BGAF	
Cc1oc2cc3oc(=O)c(C)cc3cc2c1C	34062567	WGYZLLJZDLUJME-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
CC[C@](C)(O)[C@@H]1CC=C(C)[C@H](O)[C@H]1C=C(C)C	2356466370	CJDZRSPYLGEJSX-XGUBFFRZSA-N	238.371	3.057	0	1	BGAF	
CC(C)[C@H]1C(=O)C[C@@H](C)[C@]12CC[C@@H](C)C(=O)C2	5103845	AGUISGUERLMHFF-HKCMKHECSA-N	236.355	3.243	0	1	BGAF	in-man
CC1=C2CC3=C(C)C(=O)O[C@@H]3C[C@@H](C)[C@@H]2CC1	15264503	GJFWUKNHFPKSRX-OLUVUFQESA-N	232.323	3.385	0	1	BGAF	biogenic
c1csc(-c2ncccc2Cn2ccnc2)c1	84614463	SCXLPUWSFUALAY-UHFFFAOYSA-N	241.319	3.055	0	1	BGAF	
N[C@H]1[C@@H]2CC[C@@H]1c1c(cccc1C(F)(F)F)C2	100698522	FNNWVHKNBUNHFU-LNLATYFQSA-N	241.256	3.082	0	1	BGAF	
CNc1cccc(-c2ccc(C(C)=O)s2)n1	61903119	IJKWWTNHBQXTKO-UHFFFAOYSA-N	232.308	3.054	0	3	BGAF	
CN1C=C(c2ccccc2)N(c2ccccc2)C1	122527	QELMACPXNOMDLC-UHFFFAOYSA-N	236.318	3.395	0	1	BGAF	
Cc1cc2c3sc(=O)ccc3ccc2n1C	28524674	LCEIAFMDZYSWDE-UHFFFAOYSA-N	229.304	3.062	0	1	BGAF	
COCc1coc2c1CC1=C(C)[C@H]3C[C@H]3[C@@H]1C2	33831998	HMRQYESDBHCVBM-MRVWCRGKSA-N	230.307	3.107	0	1	BGAF	biogenic,in-vitro
CCCC[C@H](CC)[C@@H]1NC(=O)c2ccccc2N1	72170989	YYUQLDLABXPGOV-FZMZJTMJSA-N	246.354	3.384	0	1	BGAF	
CCCN[C@@H]1C[C@@H]2C[C@@H]1c1ccccc12	101220255	VGDVQXXSROPFHH-ZLKJLUDKSA-N	201.313	3.029	0	1	BGAF	
CC(C)NCc1cccc2c1C=CC(C)(C)O2	103176123	DKEWHZLWLPQDAO-UHFFFAOYSA-N	231.339	3.369	0	1	BGAF	
Cc1cc(F)c2[nH]c(C3CCC3)nc2c1	586883466	DCMMHGFNNSDSGU-UHFFFAOYSA-N	204.248	3.278	0	1	BGAF	
CC1=C2C=CC[C@]2(C)C[C@@H]2[C@@H](C1)OC(=O)[C@@H]2C	2356430997	YRBWMPVNAOADAX-NDPMZMCLSA-N	232.323	3.241	0	1	BGAF	
Oc1cccc([C@@H]2CC[C@H]3CCCCN3C2)c1	25976506	GBPVZNJTTUIKKY-ZIAGYGMSSA-N	231.339	3.124	0	1	BGAF	in-vivo
Oc1ccc(O)c2c1Cc1c-2[nH]c2ccccc12	45348802	ZYYKPVBVJWQNLK-UHFFFAOYSA-N	237.258	3.150	0	1	BGAF	
Nc1c2c(nc3ccccc13)[C@@H]1CC[C@@H]2C1	100798498	STSMGBGTIPIGCZ-RKDXNWHRSA-N	210.280	3.182	0	1	BGAF	
C/C=C1\[C@H]2C=C(C)C[C@H]1c1ccc(O)nc1C2	100894091	PTZJKZAGQUPZHZ-WBYFRHJSSA-N	227.307	3.339	0	1	BGAF	
CCCC=C(C)c1cc(OC)c(C)c(=O)o1	2356377728	KGMMJESOAYRZIK-UHFFFAOYSA-N	222.284	3.160	0	1	BGAF	
CC(=O)SC(C)(C)[C@H]1CC[C@H](C)C(=O)C1	2356479003	ABUPPVNDFMOSIZ-WPRPVWTQSA-N	228.357	3.050	0	1	BGAF	
C[C@@H](CN(C)C)c1ccc(N2CCCCC2)cc1	3602526	AHWWMSLYBNNVNV-AWEZNQCLSA-N	246.398	3.342	0	1	BGAF	
Cc1ccc(-n2nncc2-c2ccccc2)cc1	9460527	FWGZLZRXJNQLCL-UHFFFAOYSA-N	235.290	3.243	0	1	BGAF	
O=C1Nc2ccccc2/C1=C1\Cc2ccccc2N1	45390722	ZUXDEQOTILCRTB-PFONDFGASA-N	248.285	3.018	0	1	BGAF	
CC1=CC[C@@H]2[C@H]3[C@@H](C(C)C)[C@@H](O)C[C@@]2(C)[C@H]13	104371026	BVCNHEVITXGCEP-MNQBEEPXSA-N	220.356	3.242	0	1	BGAF	in-man
CC[C@@]12C[C@H]3C[C@@H](c4ccc(O)cc41)[C@@H](C2)N3C	169338037	WVSDGILFXSXWGV-SUZRMVIJSA-N	243.350	3.004	0	1	BGAF	
Fc1ccc2nc(-c3cnco3)n(C3CC3)c2c1	1250920202	LOPOJLHCZCWPOY-UHFFFAOYSA-N	243.241	3.165	0	1	BGAF	
C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@]3(C)CC[C@H]1[C@@H]23	2356522919	YSMNEPXZBBDNRL-DTFMEENKSA-N	234.339	3.480	0	1	BGAF	
CC(C)CCC[C@@](C)(O)c1ccc(CO)cc1	2356717712	VWMRQVRLVIZTJQ-OAHLLOKOSA-N	236.355	3.213	0	1	BGAF	
CCCC[n+]1ccc2c(c1)[nH]c1ccccc12	49802566	UTRCGHTYRPCZEL-UHFFFAOYSA-O	225.315	3.409	0	1	BGAF	
C/C=C1\[C@@H]2C=C(C)C[C@@H]1c1ccc(O)nc1C2	100894097	PTZJKZAGQUPZHZ-VUVJXDTLSA-N	227.307	3.339	0	1	BGAF	
CC(C)[C@H]1CC[C@@H](C)[C@@]23CC(CO)=C[C@@H]2[C@@H]13	238748871	FETRHPNVBWGLFA-GZENYHORSA-N	220.356	3.243	0	1	BGAF	
CCN1CCC23C[C@@H]4CC(C[C@H](C4)C2)[C@H]3C1	299807867	BAABSQDZHYWQEV-NLXSIGEOSA-N	219.372	3.155	0	1	BGAF	
CCC[C@H](C)c1cc(OC(=O)N(C)CC)no1	299869083	TZNSSHFCYGINGF-VIFPVBQESA-N	240.303	3.029	0	1	BGAF	
CCCC1(c2nc3cncc(C)c3[nH]2)CCC1	586877928	XJVGZWLNZUZINQ-UHFFFAOYSA-N	229.327	3.488	0	1	BGAF	
CC1(C)CCC[C@]1(C)c1cc(O)cc(CO)c1	2356784215	NQMYQHBIVGUVOA-OAHLLOKOSA-N	234.339	3.352	0	1	BGAF	
CC(C)[C@@H]1C[C@@]2(C)[C@H](C[C@H]1O)C(=O)CC[C@H]2C	2356802983	WPOHFKODZHGIEO-BUONHZGMSA-N	238.371	3.035	0	1	BGAF	
Oc1nsnc1-c1c(Cl)cccc1Cl	6524982	WHRBAPUDMHWGIH-UHFFFAOYSA-N	247.106	3.218	0	3	BGAF	biogenic
O=C(O)c1ccc2c(Cl)c3c(nc2c1)CCC3	2493967	XLQACBAHNSTOGJ-UHFFFAOYSA-N	247.681	3.075	0	1	BGAF	
Cc1coc2c1[C@@H](C)c1c(ccc(O)c1C)C2=O	13300763	BCLBUXXKJTVORM-SECBINFHSA-N	242.274	3.298	0	1	BGAF	biogenic
CN(C)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2	100801927	KKSJGIYHSAGVMJ-QPPOZKHWSA-N	207.361	3.297	0	1	BGAF	
CC(C)Cc1ccc([C@@H](C)[C@H](N)N=O)cc1	957756675	HMDXZTMSVMICBD-ZWNOBZJWSA-N	220.316	3.040	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C2(C)C)[C@]12[C@H](C)CC[C@H]2O	2356620089	FFQOLUDKOBQBCT-HVNMYJMUSA-N	220.356	3.386	0	1	BGAF	
CC1=NC2=CC=C[CH]N2C(c2ccccc2)=C1	2356833405	INTLXPPKUDPMNC-UHFFFAOYSA-N	221.283	3.377	0	1	BGAF	
C[C@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N	3830682	VTMVHDZWSFQSQP-RCBQFDQVSA-N	245.366	3.114	0	1	BGAF	
CCCN(CCC)[C@H]1Cc2ccccc2[C@@H](O)C1	26576105	NYBWBNYARFYGIA-HOCLYGCPSA-N	247.382	3.157	0	1	BGAF	
Cc1cc(CO)cc(C)c1-c1ccc(O)cc1	29413062	AWNYARCNKPIAAL-UHFFFAOYSA-N	228.291	3.168	0	1	BGAF	
C/C(=C/CC[C@@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C)C(=O)O	238756667	NZSCHTYUGUVLHG-XOZNYXCTSA-N	234.339	3.480	0	1	BGAF	
C[C@]12N[C@](C)(c3ccccc31)c1ccccc12	1857742587	RGCZJCBDJQPAMK-IYBDPMFKSA-N	221.303	3.130	0	1	BGAF	
F[C@H]1C2=C(SC1(F)F)[C@H]1CC[C@@H]2C1	1639473	BNWKOGOFYDNKHF-FOHZUACHSA-N	206.232	3.348	0	1	BGAF	
CCCCN1CCC[C@H](c2cccc(O)c2)C1	13651754	ITXBDHMIXPKNIE-AWEZNQCLSA-N	233.355	3.372	0	1	BGAF	
Fc1ccc(-c2n[nH]cc2-c2ccncc2)cc1	16052350	BILJSHVAAVZERY-UHFFFAOYSA-N	239.253	3.278	0	1	BGAF	in-vivo
COc1cc(/C(C)=C/C(C)C)oc(=O)c1C	238764424	KOQRMAQGZJRISQ-RMKNXTFCSA-N	222.284	3.016	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)[C@H]1C[C@H]1CC4)CC2	587215552	QDRNKZHGKHNXFX-MFKMUULPSA-N	221.303	3.383	0	1	BGAF	
Cc1cc(C(N)=S)cc(-c2ccc(O)cc2)c1	1857615358	KDAOSZPJOYAQTM-UHFFFAOYSA-N	243.331	3.002	0	1	BGAF	
CCC=CCCCCCCC[C@@H](O)[C@@H](C)N	2356512716	BVWZJMSWYIKRNF-ZIAGYGMSSA-N	227.392	3.391	0	1	BGAF	
CC1=C[C@H]2O[C@@]3(CO)CCC[C@@]3(C)[C@]2(C)CC1	13371315	JFZZTCKYMWJCGK-APIJFGDWSA-N	236.355	3.053	0	1	BGAF	in-man
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)O[C@@]2(C)CCC1=O	100067579	PPGUUDJMTMGALC-IDTSFGKNSA-N	236.355	3.339	0	3	BGAF	in-vitro
Cc1coc2c1C[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C2	5648081	MHEQQQWHNMVBFL-JVLSTEMRSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
CN1CCc2ccc(Cl)c3c2[C@@H](CCC3)C1	27713969	JMKKCTPTLYGDIG-NSHDSACASA-N	235.758	3.248	0	1	BGAF	
CC1(C)C(=O)CC[C@H]2[C@@H]3CCC(=O)[C@]3(C)CC[C@H]21	29481446	IVLSDDWNIUUOGR-LSSIXWDNSA-N	248.366	3.387	0	1	BGAF	
C1CCN(C23C[C@@H]4CC2C[C@@H](C4)C3)CC1	40872661	MPCPLRFLUHEXCX-VTXSZYRJSA-N	205.345	3.051	0	1	BGAF	
CCCOC(=S)/C=C/c1ccccc1	73139078	BUKCZSRAEUHESD-CMDGGOBGSA-N	206.310	3.454	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cc(C)cnc2[nH]1	586887271	FWFDUGOGAXFRTC-ZANVPECISA-N	215.300	3.170	0	1	BGAF	
Cc1c(-c2cncn2C)nc2cccc3c2c1CC3	587210998	JMLAENUGCULNEM-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
CC(C)(C)c1ccc2nc(CC3CC3)[nH]c2n1	587963848	UNFORFGEJYXESI-UHFFFAOYSA-N	229.327	3.208	0	1	BGAF	
C[C@@H]1[C@H](O)CCC2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C	14856050	FILZQHSQXIHNEM-VEPFAGFCSA-N	220.356	3.386	0	1	BGAF	biogenic
CCN1CC[C@@H](C2C3CC4CC(C3)CC2C4)C1	26254082	ZTPIYOZDCMONDI-UNFKKNOASA-N	233.399	3.401	0	1	BGAF	
[CH2-]c1c2cc(Cl)ccc2nc2[n+]1CCCCC2	28459010	VHAAMEUGSIJIGI-UHFFFAOYSA-N	246.741	3.084	0	1	BGAF	
C[C@@H](N)Cc1c[nH]c2ccc3ccccc3c12	29346197	DARASKZDQXPLRX-SNVBAGLBSA-N	224.307	3.211	0	1	BGAF	
CC1(C)CCC[C@@]23CO[C@H]4OCC(=CC[C@@H]12)[C@H]43	34294930	VPPKLPHBKTZWEF-KYEXWDHISA-N	234.339	3.132	0	1	BGAF	endogenous,in-man
O=N/C=C1\C=CC=CN1Cc1cccs1	139441752	FDFLIUJFUFRMRX-CSKARUKUSA-N	218.281	3.241	0	1	BGAF	
Clc1cncc(-c2ccc3c[nH]nc3c2)c1	1857633773	WYIDXDICKURZKF-UHFFFAOYSA-N	229.670	3.278	0	1	BGAF	
CC1=CC(C)(C)C[C@H]2C[C@](C)(O)[C@H]3CC[C@@]12O3	13406762	DVBSFZDMEMHERO-MYZSUADSSA-N	236.355	3.051	0	1	BGAF	biogenic
Cc1cccc(C2=N[C@@H](CC(C)C)CO2)c1	13813393	GVGXMKHGKVCOKZ-ZDUSSCGKSA-N	217.312	3.187	0	1	BGAF	
CN(C)[C@@H]1CCCC[C@@H]1Cc1ccccc1	29323456	MGEXESJZGKIMMK-HUUCEWRRSA-N	217.356	3.350	0	1	BGAF	
Fc1ccc(Oc2ncnc3cc[nH]c23)c(F)c1	169331854	ZEAIYAIZJOVWMR-UHFFFAOYSA-N	247.204	3.028	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@]1(O)C=C[C@@](C)(O)CC1	238770567	JCGJMCYVUGMULQ-ZNMIVQPWSA-N	238.371	3.201	0	1	BGAF	
CC(C)[C@@]12CC[C@]3(C[C@H]4C[C@@]4(C)[C@@H]3C1)C(=O)O2	238776391	FSOSABOSZNLZON-OBRUSBNWSA-N	234.339	3.154	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@@H](O)C[C@@]2(C)C1	2356532266	VGSLLDHUYDRUSE-QHSBEEBCSA-N	240.387	3.115	0	1	BGAF	
CC1=C[C@@]23CC(C)(C)C[C@]2(O)[C@H](C)CC[C@H]1O3	2356756523	KTUDICJUCCREHW-GBOPCIDUSA-N	236.355	3.051	0	1	BGAF	
CCCN1CC[C@H]2c3cccc(OC)c3CC[C@H]21	13944	VUKJBNUKLLGULS-DZGCQCFKSA-N	245.366	3.209	0	1	BGAF	
CCNC(=O)OC/C=C(\C)CCC=C(C)C	26390051	HRFOXRCMHSXKIK-FMIVXFBMSA-N	225.332	3.425	0	1	BGAF	
C[C@H](CN)n1ccc2ccc3ccccc3c21	29339455	YMIOAAPNOLEXTI-LLVKDONJSA-N	224.307	3.314	0	1	BGAF	
CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCC[C@@H]3CO	33831965	YBLZTLDYFAHJHH-UXOAXIEHSA-N	238.371	3.133	0	1	BGAF	
C[C@@H](F)[C@@H](N)c1nc2ccc(C(C)(C)C)cc2[nH]1	587123201	HZGNISFIDZOZMS-PRHODGIISA-N	249.333	3.218	0	1	BGAF	
CC(=O)NCC[C@H]1Cc2cccc3cccc1c23	13834475	MKXJFIHECBDMDM-ZDUSSCGKSA-N	239.318	3.006	0	1	BGAF	
COc1cccc([C@@]23CCCN(C)[C@@H](CC2)C3)c1	29249062	NEKUICGVWOZZFZ-HOCLYGCPSA-N	245.366	3.211	0	1	BGAF	
COc1ccc(/C=C(\C)[C@H](C)N=O)cc1	169722612	GAPKCGLARTZLOT-DDXVTDLHSA-N	205.257	3.253	0	1	BGAF	
CC/C=C/C=C\C=C/C[C@H](OC)[C@H](C)NC	238780460	OZYMABBRNUUXQX-GBJGHZGVSA-N	223.360	3.078	0	1	BGAF	
C[C@@H]1CCC2=C(COC2=O)[C@H]2CC(C)(C)C[C@@H]21	2356529690	PNSDVYLOAYHPKJ-JLLWLGSASA-N	234.339	3.322	0	1	BGAF	
Cc1coc2c1C[C@]1(C)C(=CCC(=O)[C@H]1C)C2	15221386	BICUIOBLBYQYLO-BMIGLBTASA-N	230.307	3.228	0	1	BGAF	biogenic
CC(C)c1ccc(N2C[C@H](C)OC2=O)cc1	29408855	HTVUUODASFLHMV-JTQLQIEISA-N	219.284	3.155	0	1	BGAF	
CC1(C)C(=O)CC[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CC[C@H]21	29481440	IVLSDDWNIUUOGR-YMEQNVIZSA-N	248.366	3.387	0	1	BGAF	
CN1[C@@H]2Cc3ccccc3[C@@H]1c1ccccc12	100649125	PFFGUTFSPWUIOT-HZPDHXFCSA-N	221.303	3.319	0	1	BGAF	
CN1[C@H]2Cc3ccccc3[C@@]1(C)c1ccccc12	100649218	VRDVKRKIXRRDOQ-IRXDYDNUSA-N	235.330	3.493	0	1	BGAF	
Cc1c2c(c(O)c3c1[C@@H](C)C(=O)O3)CCC[C@@H]2C	154706930	WNVJFXCXPGTUNO-IONNQARKSA-N	246.306	3.163	0	1	BGAF	
OC[C@H]1CCC[C@H](c2ccc(O)cc2)CC1	1857765354	TYZPZHWTUNATHL-RYUDHWBXSA-N	220.312	3.048	0	1	BGAF	
CC=C(C)C1=C2C(OC)=C(C)O[C@@H]2OC(C)=C1	2356395768	WAAKKKASQPRMCH-AWEZNQCLSA-N	234.295	3.417	0	1	BGAF	
CC[C@@H](C)C(=O)c1[nH]c2ccccc2c1C(=O)O	969137	OGGSQMJKFCSFDF-MRVPVSSYSA-N	245.278	3.095	0	1	BGAF	
CN1CCCCC12C1CC3CC(C1)CC2C3	26994680	ADJGDJPSZPEEPZ-UHFFFAOYSA-N	219.372	3.297	0	1	BGAF	
CC(C)(C)c1nccc(-c2ccccc2O)n1	29128026	UVWSZDWCHXKJAZ-UHFFFAOYSA-N	228.295	3.147	0	1	BGAF	
CC=C=CCN(C)[C@@H](C)c1ccccc1	29340476	GZAVCCSXCPNMJG-BZQJZJKOSA-N	201.313	3.411	0	1	BGAF	
C[C@@H](CCCCCC(=O)O)CCCCC(=O)O	38789158	UKNHHXHMIJAHJZ-NSHDSACASA-N	244.331	3.303	0	1	BGAF	
O=[S@](c1ccccc1)c1cc2ccccc2[nH]1	58581863	IPHCRVNZPPRNOV-KRWDZBQOSA-N	241.315	3.335	0	1	BGAF	
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CN	64220766	JSVCWJJGZXDXLC-GUUKOKDOSA-N	249.357	3.488	0	1	BGAF	
CCCCCCc1cn(Cc2ccccc2)nn1	72159687	FXKPYNYHIYSBFS-UHFFFAOYSA-N	243.354	3.449	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782064	AZCJPMYIWXNBMH-XWSJDDSLSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
O=NCc1ccc(-c2cccnc2)s1	169718683	JUZUBCBEFKWHQP-UHFFFAOYSA-N	204.254	3.077	0	1	BGAF	
Nc1ccc([C@H]2Nc3ccccc3S2)cc1	197342339	IBRRZTGUUKKJTF-ZDUSSCGKSA-N	228.320	3.485	0	1	BGAF	
CC1=C[C@@H](COC(=O)C(C)C)C(C)(C)[C@@H]1C	238772819	GBPIVQULIDDYBQ-NEPJUHHUSA-N	224.344	3.424	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@@H]1C[C@@H](O)C(C)=C[C@H]1O	238773942	FPSDOHYYKFXKFR-FAAHXZRKSA-N	238.371	3.057	0	1	BGAF	
CCCN1CCC[C@H]2C[C@H]1c1ccc(O)cc12	299810560	IGSXTRMNXITSHG-NHYWBVRUSA-N	231.339	3.426	0	1	BGAF	
Cc1nccnc1-c1cc2c3c(cccc3n1)CC2	587212028	KJKUMZINQQIGNS-UHFFFAOYSA-N	247.301	3.099	0	1	BGAF	
CCOC(=O)c1ccc2nc([C@H](C)CC)[nH]c2c1	587954698	BDCVBAIFJJGYGX-SECBINFHSA-N	246.310	3.253	0	1	BGAF	
CC(C)C(=O)[C@@H]1CC[C@]2(O)CCC[C@H](C)[C@@]12C	13385661	HUQLDUXYHVFPRA-NZBPQXDJSA-N	238.371	3.179	0	1	BGAF	biogenic
C[C@]12CN[C@H](Cc3ccccc31)c1ccccc12	13831946	IIZBAWRPFWPBHJ-SJORKVTESA-N	235.330	3.193	0	1	BGAF	
CC1(C)CC(C[C@H]2CN=CN2)=Cc2ccccc21	13862107	VUEUPAZWNIDHOX-AWEZNQCLSA-N	240.350	3.142	0	1	BGAF	
CC1=CC[C@](C)([C@@]2(C)CCC[C@@]2(O)CO)CC1	14770161	ZRUBZTRZIXUUTD-RRFJBIMHSA-N	238.371	3.037	0	1	BGAF	biogenic
CCCN1[C@H](C)C[C@H]2c3c(O)cccc3CC[C@H]21	28757862	UZURACXTLVIQPF-MRVWCRGKSA-N	245.366	3.295	0	1	BGAF	
Cc1cc(C)c2c3c([nH]c2c1)CC[C@@H](N(C)C)C3	39214055	XPPMFOAYEAADRE-GFCCVEGCSA-N	242.366	3.204	0	1	BGAF	
C[C@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	59588389	AYXPYQRXGNDJFU-BXCDGJFSSA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
CN(C)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2	100801929	KKSJGIYHSAGVMJ-CEUNDQEZSA-N	207.361	3.297	0	1	BGAF	
CC/C=C(C)\C=C\c1cc(=O)c(C)c(OC)o1	206921447	PXPJSJYEBJNCLO-BGDUUMEQSA-N	234.295	3.326	0	1	BGAF	
O=C1C[C@@H]2CC[C@H]1c1c2nc2cccc3c2c1CC3	587215984	XPKCNLUZPQJSIP-WDEREUQCSA-N	249.313	3.267	0	1	BGAF	
CC[C@@H]1CCCC[C@@]12NCCc1c(C)ccnc12	963075333	RSZZNRWHPVOXPP-CZUORRHYSA-N	244.382	3.331	0	1	BGAF	
CC=CC=CC=C1C=C[C@@]2(CCCCO2)O1	2356474485	TYODKWRJEBJDRL-CQSZACIVSA-N	218.296	3.486	0	1	BGAF	
COc1cccc2c1NC(C)=C1C[C@H](C)O[C]12	2356823552	UWMCISAVGCGJJN-QMMMGPOBSA-N	230.287	3.084	0	1	BGAF	
Cc1ccc(C)c2c1CC[C@H]1[C@H](C)C(=O)O[C@@H]21	32197519	RHTYOTLJAQQYBQ-VHRBIJSZSA-N	230.307	3.100	0	1	BGAF	
Nc1cccc(-c2ccc3ccnc(N)c3c2)c1	45187180	MRFLOEMJSPROCK-UHFFFAOYSA-N	235.290	3.066	0	1	BGAF	
Cc1cc(Nc2n[nH]c3cccnc23)ccc1F	166861101	KVAJEBVYHXCKAG-UHFFFAOYSA-N	242.257	3.149	0	1	BGAF	
CC1=C2C[C@H]3[C@@H](CC(C)=C2C=C1)OC(=O)[C@@H]3C	238766431	CLYNYTSBNBKWKO-LERXQTSPSA-N	230.307	3.161	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2c(Cl)ncnc2[nH]1	587967292	MVMJVUOLASWCEX-HTQZYQBOSA-N	248.717	3.076	0	1	BGAF	
CC[C@H](C)C[C@H](C)c1cc(O)c(C)c(=O)o1	2356868960	XGKUCWRDDUBLFW-IUCAKERBSA-N	224.300	3.194	0	1	BGAF	
C=C1C(C(=O)O)=C[C@]2(C)CC[C@@H]3[C@H](C)CC[C@]132	14708981	UVFNMUDXUUEMMB-GXTAWKLYSA-N	232.323	3.400	0	1	BGAF	biogenic
CSC(=O)N(C)/C=C\c1ccccc1	39018700	RETURNBTBXSONZ-HJWRWDBZSA-N	207.298	3.072	0	1	BGAF	
O=C1C[C@@H]2CCC[C@@](Oc3ccccc3)(C1)C2	100799899	JWXBVUDFFBNKCE-WFASDCNBSA-N	230.307	3.357	0	1	BGAF	
CN1C[C@H]2CC[C@H](C1)C2c1ccc(Cl)cc1	100947995	QIAUIJSQWFLUGV-VXGBXAGGSA-N	235.758	3.395	0	1	BGAF	
CC1=C[C@H]2CC[C@@]1(C)C/C2=C(/C)OC=O	102945453	FWKPDPWUSHLWRV-ZEOYUPMXSA-N	206.285	3.200	0	1	BGAF	
Oc1cc(O)cc(/C=C/c2ccc([18F])cc2)c1	103065028	HUFXCDXXKBCLOZ-JOZOKNTRSA-N	229.241	3.407	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@@H](C(=O)O)CCC[C@@H]1C2	238761953	VCWWNXMTMQUZKV-HCKVZZMMSA-N	248.322	3.194	0	1	BGAF	
C[C@@H]1CCC[C@]23C[C@@H]4[C@H](C(=O)[C@@]12C)[C@]4(C)C3	238779069	RFMRPDNVGQZVJI-NNKNWFAJSA-N	218.340	3.428	0	1	BGAF	
CN1C(=O)c2ccccc2Oc2ccccc21	6481616	WMCRMMMOZIJLNG-UHFFFAOYSA-N	225.247	3.069	0	1	BGAF	
c1ccc(N2N=NC[C@@H]2c2cccnc2)cc1	26164185	QWOBGUWZAPTLJB-CYBMUJFWSA-N	224.267	3.010	0	1	BGAF	
COC(=O)c1cccc2c1[nH]c1cc(C)ccc12	53312459	RCJKLJMFYNKPDQ-UHFFFAOYSA-N	239.274	3.416	0	1	BGAF	
CN1C[C@H]2c3ccccc3C[C@H]1c1ccccc12	253634139	PIGZXJLBRSZWDM-IRXDYDNUSA-N	235.330	3.361	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2c(C)ccnc2[nH]1	586888279	IKDLMQPLZIYSFM-RNCFNFMXSA-N	215.300	3.170	0	1	BGAF	
C[C@H]1CCC[C@@]23C[C@H]4[C@@H](C(=O)[C@@]12C)[C@@]4(C)C3	2356411509	RFMRPDNVGQZVJI-ABVBFRSVSA-N	218.340	3.428	0	1	BGAF	
CC1=C[C@@H]2O[C@@]3(CO)CCC[C@@]3(C)[C@]2(C)CC1	13371318	JFZZTCKYMWJCGK-LJISPDSOSA-N	236.355	3.053	0	1	BGAF	in-man
O=c1cc(-c2cccnc2)sc2ccccc12	27195945	XTLKPNYPVIFOEW-UHFFFAOYSA-N	239.299	3.324	0	1	BGAF	
COc1cccc2c(CCN(C)C(C)C)c[nH]c12	28002739	DWWGBJXFXZBWRV-UHFFFAOYSA-N	246.354	3.059	0	1	BGAF	
COc1cccc([C@]23CCCN(C)[C@H](CC2)C3)c1	39306870	NEKUICGVWOZZFZ-GDBMZVCRSA-N	245.366	3.211	0	1	BGAF	
Clc1ccc([C@@H]2N=C[C@@H]3C=CC=CN32)cc1	72136931	ZRMPSCAPZDJQTO-QWHCGFSZSA-N	230.698	3.177	0	1	BGAF	
Cc1cc(F)ccc1NC1=N[C@H](C)CC1	143145190	ZQADVUDRBBZKEN-SECBINFHSA-N	206.264	3.127	0	1	BGAF	
CCNCc1ccc(Nc2nc(C)cs2)cc1	1772570495	LFDNULUCRFYAEN-UHFFFAOYSA-N	247.367	3.305	0	1	BGAF	
C[C@]1(O)CC[C@H]2[C@H]3CCCC=C3C=C[C@]21C	27708578	ILJJWXMZGGKVML-XQLPTFJDSA-N	218.340	3.450	0	1	BGAF	
CSc1cccnc1Nc1cccc(C)n1	28527397	JEHPEWPEWAFOKN-UHFFFAOYSA-N	231.324	3.251	0	1	BGAF	
C[C@@H]1CCC[C@H]2CCN[C@H](C2)c2cccnc2C1	95911932	XXFUPXULZIGGDJ-DVOMOZLQSA-N	244.382	3.485	0	1	BGAF	biogenic,in-vitro
CC(=O)CC[C@@H](O)c1cc2occ(C)c2cc1C	14694217	ZBUBJXXTGLTVJY-CQSZACIVSA-N	246.306	3.452	0	1	BGAF	biogenic
CC(C)(C)c1cc[n+]([O-])cc1Oc1ccccc1	27980736	TYFWZGDFENVQPG-UHFFFAOYSA-N	243.306	3.410	0	1	BGAF	
CC[n+]1ccc2c(c1)[nH]c1ccc(Cl)cc12	45337507	UCSSMXYQZBSDDL-UHFFFAOYSA-O	231.706	3.282	0	1	BGAF	
c1ccc2c(c1)NCc1c[nH]c3nccc-2c13	45349094	KVJSVGONQQMVML-UHFFFAOYSA-N	221.263	3.155	0	1	BGAF	
CCn1c(O)c(C2=NCCCC2)c2ccccc21	101655422	OYIKBEGJVACNMN-UHFFFAOYSA-N	242.322	3.340	0	1	BGAF	
C/C(=C/C[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C)CO	238787549	VACAXMGPQVSASV-ALOXCPIDSA-N	249.354	3.038	0	1	BGAF	
CCC=CC[C@H]1C(=O)CC[C@H]1CCCC(=O)O	2356441257	LVQJNKFFJNUFNY-VXGBXAGGSA-N	238.327	3.193	0	1	BGAF	
CC1=C[C@@H]2Cc3ccoc3C(C)(C)[C@H]2C[C@@H]1O	2356799096	TZMNNHGZFZBUOZ-AGIUHOORSA-N	232.323	3.057	0	1	BGAF	
CC1=CN2C=C(c3ccc(C)cc3)N[C]2C=C1	2356861829	GHILVACKDUPNLF-UHFFFAOYSA-N	223.299	3.162	0	1	BGAF	
CC(C)=CCC[C@@](C)(O)C1CCC(CO)CC1	13377665	HRLGIVKHHDZZSO-YMAMQOFZSA-N	240.387	3.283	0	1	BGAF	biogenic
COc1ccc(CC[C@H]2C=CC(=O)CC2)cc1	14589750	KYIZWSVXYSIPKA-LBPRGKRZSA-N	230.307	3.163	0	1	BGAF	biogenic
CC1(C)CCC[C@@]2(C)CCOC(=O)C[C@H]12	14616549	CMIIIOPFYNCZPR-MFKMUULPSA-N	210.317	3.156	0	1	BGAF	biogenic
N[C@@H]1[C@H]2CC[C@@H]1Cc1cc(C(F)(F)F)ccc12	26288526	WOHWQAPSLJHLKN-MKCWBWRRSA-N	241.256	3.082	0	1	BGAF	
N[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21	42922543	AFPFOKAYUJMERG-CABCVRRESA-N	225.291	3.210	0	1	BGAF	in-vivo
CC1=COC=C[C@@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12	85886749	DMFSWNMSKDPBCG-NFAWXSAZSA-N	246.306	3.092	0	1	BGAF	
CC[C@H](O)C(=O)OCCCCC1CCCCC1	95572744	WRGZUYIQNOJIDA-ZDUSSCGKSA-N	242.359	3.051	0	1	BGAF	
OC/C=C/c1ccc2c(F)c(Cl)ccc2n1	96935454	PPBIVZSMRAYAJL-OWOJBTEDSA-N	237.661	3.033	0	1	BGAF	
CN1C[C@H]2c3ccccc3[C@@H]1[C@@H]1CCC[C@H]21	169369354	SYUCGKZXQQTLMH-PMOUVXMZSA-N	213.324	3.187	0	1	BGAF	
Cc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1F	587257596	HJORYPXMIVOLMR-LLVKDONJSA-N	235.306	3.056	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]1[C@@H]32	13366053	VCBQFQQHNFVJQI-LSWSCSCTSA-N	234.339	3.176	0	1	BGAF	biogenic
CC1=C[C@@H]2O[C@@]3(CO)CCC[C@@]3(C)[C@@]2(C)CC1	13371324	JFZZTCKYMWJCGK-ZQDZILKHSA-N	236.355	3.053	0	1	BGAF	endogenous,in-man
c1ccc(Nc2nc(-c3ccccc3)no2)cc1	20996755	QYHPPVJVEZSYBS-UHFFFAOYSA-N	237.262	3.480	0	1	BGAF	
CCSc1ccc(C[C@H](CC)N(C)O)cc1	49013918	TYSYFEFPDPHUTN-LBPRGKRZSA-N	239.384	3.441	0	1	BGAF	
CC(C)(C)c1ccc(NCCc2c[nH]cn2)cc1	49113234	CAUIWLDBMLQRJD-UHFFFAOYSA-N	243.354	3.362	0	1	BGAF	in-vivo
CN[C@H]1Cc2c[nH]c3cccc(c23)[C@@H]1C=C(C)C	14693435	NGJMPUDCQIYVMS-ZFWWWQNUSA-N	240.350	3.362	0	1	BGAF	biogenic
C[C@]12N[C@](F)(Cc3ccccc31)c1ccccc12	27888311	QWQKTSIJXLQBCC-JKSUJKDBSA-N	239.293	3.232	0	1	BGAF	
CC(C)N(Cc1ncc[nH]1)c1ccc(Cl)cc1	95562395	ALZKWJTZAKQPSG-UHFFFAOYSA-N	249.745	3.478	0	1	BGAF	
COc1ccc(CN2CCC(C)=C[C@@H]2C)cc1	95784906	MKBAAIHLTYAMIQ-ZDUSSCGKSA-N	231.339	3.236	0	1	BGAF	
CC[C@H](C)Oc1nccc2[nH]nc(C3CC3)c12	114771561	ZVRBCNZRHUJABS-QMMMGPOBSA-N	231.299	3.013	0	1	BGAF	
CC1=CC[C@@](O)([C@H](C)CC/C=C(/C)CO)CC1	139027808	KNGVJRHBQKQKMD-IOHZZBRQSA-N	238.371	3.203	0	1	BGAF	
CC(C)c1sc(Nc2ccncc2)nc1O	169720333	SNQRFZAAPNGUMV-UHFFFAOYSA-N	235.312	3.111	0	1	BGAF	
Nc1oc2cnccc2c1Nc1ccccc1	1857772543	UWVVDOZZEDFIEH-UHFFFAOYSA-N	225.251	3.154	0	1	BGAF	
c1ccc(Nc2ncncc2-c2ccoc2)cc1	4258321	FUQLJMBDYUMWCT-UHFFFAOYSA-N	237.262	3.480	0	1	BGAF	
Clc1ccc(C2=NO[C@H]3[C@@H]4CC[C@@H](C4)[C@H]23)cc1	16020940	LIDSHSJJGBRCMP-SVBLFDIKSA-N	247.725	3.489	0	1	BGAF	
Cc1cc[n+]2c(O)c(-c3ccccc3)sc2c1	29413276	ZRWOHOVJBJEQSM-UHFFFAOYSA-O	242.323	3.168	0	1	BGAF	
FC(F)c1cc2c3c(cccc3n1)CC2	587210296	NIBAHERATIAQRU-UHFFFAOYSA-N	205.207	3.271	0	1	BGAF	
CC1(C)O[C@@H]1c1cc2c3c(cccc3n1)CC2	587216054	RHKOLQTVBCHYLZ-CQSZACIVSA-N	225.291	3.183	0	1	BGAF	
c1ccc2c(N3C4CCC3CC4)cncc2c1	13474766	CFAXKSFMHNBHRL-UHFFFAOYSA-N	224.307	3.366	0	1	BGAF	
CC1(C)O[C@]23C[C@H]1CC[C@]2(C)CCCC3=O	33833086	GZGANJGCMJYOEK-SWHYSGLUSA-N	222.328	3.093	0	1	BGAF	biogenic,in-vitro
CC(C)[C@H]1C2C[C@@H]3C[C@H](C2)CC1(N(C)C)C3	95560716	XTXGMPJBMMXLQQ-HKGGGCDWSA-N	221.388	3.399	0	1	BGAF	
S=C(S)OCC12CC3CC(CC(C3)C1)C2	96908198	CACHNTLZFLGBJI-UHFFFAOYSA-N	242.409	3.434	0	1	BGAF	
N=C(c1ccccc1)N(O)C1CCCCC1	1617804	PFSJPBGXWOXIDL-UHFFFAOYSA-N	218.300	3.036	0	1	BGAF	
CCc1c2c(nc3ccc(OC)cc13)O[C@@H](C)C2	8609432	LRKZGLCCRYKDAM-VIFPVBQESA-N	243.306	3.129	0	1	BGAF	
CN1CC=C(Oc2cccc3ccccc23)CC1	13651684	NDMASRYTLVUVSR-UHFFFAOYSA-N	239.318	3.438	0	1	BGAF	
Cc1cc(C)c(CCN2CCCC2)c(C)c1	29131284	IYOUBSBBWJSRIG-UHFFFAOYSA-N	217.356	3.250	0	1	BGAF	in-vivo
C(=C1\CCN=C1c1cccnc1)\c1ccccc1	33847549	ZCMDJQFYESSODI-SDNWHVSQSA-N	234.302	3.358	0	1	BGAF	
Cc1ccc2[nH]c(-c3n[nH]c4cccnc34)cc2c1	64550034	IYIUYALZRRAAGV-UHFFFAOYSA-N	248.289	3.415	0	1	BGAF	
CC1=N[C@@H](c2ccccc2)[C@@H](c2ccccc2)N1	96916545	LZURKQJEUOBPEP-IYBDPMFKSA-N	236.318	3.491	0	1	BGAF	
O=C1c2ccccc2-c2ccnc3ccc(O)c1c23	586992076	UAAFJOBGZLYLNM-UHFFFAOYSA-N	247.253	3.152	0	1	BGAF	
CCCC1=NN=C2CC(C)(C)CC(NOCC)=C12	13130851	UXPHCGRMMMQYJN-UHFFFAOYSA-N	249.358	3.212	0	3	BGAF	
CCO[C@@H]1C[C@H]2C[C@@H](C3CCCCC3)O[C@H]2O1	103293552	ZFJLUPAQLYBAAP-RFGFWPKPSA-N	240.343	3.081	0	1	BGAF	
Cc1cc([N+](=O)Nc2ccccc2C)ccc1N	377453206	GYRDYSDZNZRZKY-UHFFFAOYSA-N	242.302	3.323	0	1	BGAF	
CC(C)(C)c1cccc2nc([C@@H]3CCOC3)[nH]c12	586911920	MJMNLTUQEYBWJM-SNVBAGLBSA-N	244.338	3.364	0	1	BGAF	
C[C@H]1C(=O)c2nc3cccc4c3c(c2[C@@H]1C)CC4	587213114	GLORRRRYONCUSD-RKDXNWHRSA-N	237.302	3.269	0	1	BGAF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3ncc[nH]c-3n2)C1	587969611	QVPNSXRMCBNOKK-NXEZZACHSA-N	244.342	3.234	0	1	BGAF	
Cc1ccc([C@]2(C)C[C@@H](O)CC2(C)C)cc1	13412402	SRSPZMSNYAVIMD-ZFWWWQNUSA-N	218.340	3.434	0	1	BGAF	biogenic
CC1(C)CCC[C@@]2(C)[C@H]1CCC1=CO[C@@H](O)[C@@H]12	15159751	CKKFKHKPUJLOPY-JLNYLFASSA-N	236.355	3.462	0	1	BGAF	biogenic
C/C1=C\CC(=O)[C@@H](C)CC[C@H](C(C)(C)O)CC1	198652017	DWMJDYZSFOSGLA-OAIDTJHVSA-N	238.371	3.489	0	1	BGAF	
COCCc1nc(-c2ccc(F)cc2)cs1	587923099	OOAKIKDBQJZHNV-UHFFFAOYSA-N	237.299	3.138	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3C(=O)COC3=CC[C@H]12	2356662260	JJURWYXZUIFCGL-NFAWXSAZSA-N	234.339	3.322	0	1	BGAF	
CC=CC=C[C@@H]1Cc2cc(O)c(C)cc2CO1	2356824009	GRASXUWVZNVMSS-CQSZACIVSA-N	230.307	3.274	0	1	BGAF	
Oc1cc(=NC2CCCCC2)c2ccccc2o1	2356830310	JGNJCFDARLSVBW-UHFFFAOYSA-N	243.306	3.372	0	1	BGAF	
c1ccc(Cc2nccc(-c3ccncc3)n2)cc1	26644530	SQEJMGJPAWRGSZ-UHFFFAOYSA-N	247.301	3.129	0	1	BGAF	
OCc1ccc(-c2ccc(O)cc2)c(Cl)c1	29415207	UVBWSWYQGQEQIX-UHFFFAOYSA-N	234.682	3.205	0	1	BGAF	
COc1ccc2c(c1)CC[C@@H]1CC(=O)CC[C@@H]21	29483246	BSMHBSGELIACIM-QMTHXVAHSA-N	230.307	3.094	0	1	BGAF	
CCOc1ccc(/C=C\[C@H](C)N=O)cc1	169687507	PINXFIRHQKRJFC-LWTINBJPSA-N	205.257	3.253	0	1	BGAF	
N#Cc1ccc(-c2ccc(-n3ccnc3)cc2)cc1	200385099	BXTFFLAQZKKMGW-UHFFFAOYSA-N	245.285	3.411	0	1	BGAF	
c1cc2c3c(cc([C@@H]4CCCO4)nc3c1)CC2	587216276	YKBHNSIBXASELU-AWEZNQCLSA-N	225.291	3.185	0	1	BGAF	
CC[C@H](C)C=Cc1oc(=O)c(C)c(OC)c1C	2356714845	LEOSHPKVZGISFK-VIFPVBQESA-N	236.311	3.325	0	1	BGAF	
Oc1ccc2c(c1)CC[C@H]1[C@H]2[C@@H]1c1ccncc1	100025732	PMBWFLFXHMHHCP-OAGGEKHMSA-N	237.302	3.231	0	1	BGAF	
C[C@H]1CC[C@@H]2[C@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C	136905269	AYXPYQRXGNDJFU-IROTVPAZSA-N	222.372	3.466	0	1	BGAF	
CC[C@]1(C(C)C)CC(=O)c2cc(C)cc(N)c2O1	587402692	GLRUQRSFWJUTGO-OAHLLOKOSA-N	247.338	3.347	0	1	BGAF	
CCCc1oc(CCC(C)=O)c(C(C)=O)c1C	1772599876	SNFRZSMAMFPEFY-UHFFFAOYSA-N	236.311	3.265	0	1	BGAF	
CO[C@@H]1[C@H](C)CC[C@@H]2C(C)=C3CCC[C@]21O3	2356708349	MFNGWXIGBXGRPT-IMJCEVDSSA-N	222.328	3.274	0	1	BGAF	
C[C@@H]1CCC[C@@H]2[C@H](O)C[C@@H]3[C@H](C3(C)C)[C@]21C	2356732448	QHNIGCGGGCYOFP-RWXDJMAFSA-N	222.372	3.466	0	1	BGAF	
c1ccc(Sc2ncnc3sccc23)nc1	115882	YIXHEBMYZUHHBG-UHFFFAOYSA-N	245.332	3.238	0	1	BGAF	
CC1=CCC[C@@]2(C)C[C@@H]3OC(=O)[C@H](C)[C@@H]3C[C@H]12	15207280	TZQBXGMUUIPSOJ-JYKNGBAOSA-N	234.339	3.321	0	1	BGAF	
CN1CCc2c3n(c4ccccc24)C=CCC[C@@H]31	43073701	GLNSGTPDENYBSK-HNNXBMFYSA-N	238.334	3.435	0	1	BGAF	
OCc1ccc2nc(C3(F)CCCCC3)[nH]c2c1	587131790	CRNCDGAQZAKYQC-UHFFFAOYSA-N	248.301	3.184	0	1	BGAF	
C(=C/c1noc2ccccc12)\c1ccncc1	13602114	INOWWNGKAOMZCD-AATRIKPKSA-N	222.247	3.393	0	1	BGAF	
CC(=O)NC[C@@H]1CCc2cccc3cccc1c23	13834426	YEJNNHSHBRFGLW-AWEZNQCLSA-N	239.318	3.006	0	1	BGAF	
CCCC[C@@H]1[C@H](O)CCC[C@]12CCCCN2C	27998119	JQAAYMWQZFOCNY-RBSFLKMASA-N	239.403	3.192	0	1	BGAF	
O=C1[C@H]2CCC=CCC[C@H]2N1Cc1ccccc1	40743115	NWAIKZYIQAWVJV-LSDHHAIUSA-N	241.334	3.144	0	1	BGAF	
CCC1=NCCc2cc(OC)c(Cl)cc21	49052509	PMRDGUOYVKCWKU-UHFFFAOYSA-N	223.703	3.104	0	1	BGAF	
COc1c(C(C)=O)c(C)cc2cccc(O)c12	169343682	YBNOHEODUDYOQX-UHFFFAOYSA-N	230.263	3.065	0	1	BGAF	
C=C[C@]1(C)CC[C@@](O)(C(C)C)C(=O)[C@H]1C(=C)C	14449921	GHIYLRZGQOFLNM-BPLDGKMQSA-N	236.355	3.121	0	1	BGAF	biogenic
Cc1ccc(N)c(C#Cc2cccc(Cl)c2)n1	34182563	QQOXDHYFAFCOGI-UHFFFAOYSA-N	242.709	3.025	0	1	BGAF	
CC/C=C\C[C@H]1C(=O)CC[C@@H]1CCCC(=O)O	59029627	LVQJNKFFJNUFNY-RRNNCXACSA-N	238.327	3.193	0	1	BGAF	
CC(C)[C@@H](C)NCc1coc(-c2ccccc2)n1	72185186	OBYISVDKOJBQQO-GFCCVEGCSA-N	244.338	3.476	0	1	BGAF	
Clc1ccc([C@H]2NN=C3CCC[C@@H]32)cc1	1857606034	OVHBUURKUDQFKD-CMPLNLGQSA-N	220.703	3.140	0	1	BGAF	
CC=C(C)c1ccc(CC(C)C)c(=O)o1	2356412313	NRPDUWHDIVSXDI-UHFFFAOYSA-N	206.285	3.262	0	1	BGAF	
C[C@H]1CCC[C@H]2CCN[C@@H](C2)c2cccnc2C1	14441943	XXFUPXULZIGGDJ-XEZPLFJOSA-N	244.382	3.485	0	1	BGAF	biogenic
CO[C@@H]1CCN2CCCC[C@@H]2[C@H]1c1ccccc1	28645425	CCUROSRTZKSORY-BZUAXINKSA-N	245.366	3.043	0	1	BGAF	
C=Cc1nc2ccccc2c(OC(C)=O)c1C	103290318	ALSWNJRAYUSQLX-UHFFFAOYSA-N	227.263	3.112	0	1	BGAF	
CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3	587527890	XPJDZPNOCRUMLT-LLVKDONJSA-N	230.307	3.309	0	1	BGAF	
CC[C@H](C)CCCCc1coc(=O)c(C)c1O	1857651380	SAJHVNVDBBYIML-JTQLQIEISA-N	238.327	3.413	0	1	BGAF	
CN1C[C@@H]2Cc3ccccc3[C@]13CCCC[C@@H]23	3778522	QOLOIQFHTUKQJN-BPUTZDHNSA-N	227.351	3.190	0	1	BGAF	
CCOC1=C(c2ccccc2)N2CCCC[C@H]2O1	5539920	MLJYIBWSHNAXMA-CYBMUJFWSA-N	245.322	3.191	0	1	BGAF	
CN[C@]12CC=CC[C@H]1CCc1ccc(OC)cc12	13831976	NYRRKAKFWGZUEO-XJKSGUPXSA-N	243.350	3.022	0	1	BGAF	
Cc1cc([C@@H]2CC[C@@H](c3ccccc3)N2C)on1	26404003	HUTZSALGHUJHBI-KBPBESRZSA-N	242.322	3.491	0	1	BGAF	
N=C(N)c1ccc2cc(-c3ccccc3)[nH]c2c1	42965647	DFVQESDQJCIAKQ-UHFFFAOYSA-N	235.290	3.119	0	1	BGAF	
C/C=C/[C@H]1CC(=O)c2cc(Cl)ccc2O1	45498108	CQMHIQXVYXATCQ-HPOULIHZSA-N	222.671	3.250	0	1	BGAF	
C[C@H]1CC[C@]2(C1)C(C(=O)O)=CCC[C@H]2C	85488470	WDDHMVJSZRYGPI-OPQQBVKSSA-N	208.301	3.234	0	1	BGAF	biogenic,in-vitro
CC(C)(C)c1cc2nc3ccccc3nc2[nH]1	95572477	VSSLYMGNVOZEBS-UHFFFAOYSA-N	225.295	3.409	0	1	BGAF	
CCCOc1cc2c3ccccc3nc-2c[nH]1	100640589	DVKHCFDZNVGRQT-UHFFFAOYSA-N	226.279	3.457	0	1	BGAF	
C[C@]12c3ccccc3C[C@@H](c3ccccc31)N2O	100649280	SOZAUWGJIRNSOQ-HOTGVXAUSA-N	237.302	3.252	0	1	BGAF	
CC[C@@H](C)C1S[C@H](C)N[C@@H](C)S1	100828983	BLDFHTPIEUHZJY-BWZBUEFSSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
C/C(=C\C[C@@H]1N[C@H](c2ccoc2)CC[C@@H]1C)CO	238780222	VACAXMGPQVSASV-ISHDBFPVSA-N	249.354	3.038	0	1	BGAF	
C[C@@H]1[C@@H](O)CC[C@@]23C[C@H]4[C@@H](C[C@@]12C)[C@@]4(C)C3	2356475793	QACHZVKROYIYIY-KSSRBEKFSA-N	220.356	3.220	0	1	BGAF	
Cc1ccc([C@]2(C)CC[C@@H](O)C2(C)C)cc1	13412383	AFRLMSOCDMQZOR-HIFRSBDPSA-N	218.340	3.434	0	1	BGAF	biogenic,in-vitro
C=CC(=O)Oc1ccc(C(C)(C)CC)cc1	14968993	YJNVZFRESYAKPQ-UHFFFAOYSA-N	218.296	3.466	0	1	BGAF	
COc1cc(OC)c2c(c1)C(C)(C)CCC2	38867648	XQXJCTLWOOCPBT-UHFFFAOYSA-N	220.312	3.318	0	1	BGAF	
C/C(=C\CC[C@]1(C)C2C[C@@H]3[C@@H](C2)C31C)C(=O)O	100065775	NZSCHTYUGUVLHG-QRPSKFJSSA-N	234.339	3.480	0	1	BGAF	
c1ccc(-n2cc3c(c2)-c2oncc2CC3)cc1	200026175	KWPUKDXUSXSKRK-UHFFFAOYSA-N	236.274	3.231	0	1	BGAF	
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@H](CO)CC1	238780812	HRLGIVKHHDZZSO-QLFBSQMISA-N	240.387	3.283	0	1	BGAF	
C[C@@H]1CCc2c(nc3cccc4c3c2CC4)C1=O	587214553	UOTFEOVSBVELER-SECBINFHSA-N	237.302	3.098	0	1	BGAF	
CC[C@@H](C(C)C)[C@@]1(C)NCCc2c(C)ccnc21	963083488	CKIZINQQCLNFHA-GOEBONIOSA-N	246.398	3.433	0	1	BGAF	
C[C@@H]1CC[C@H](Oc2cccc3ccc(N)nc23)C1	28383620	XSBYTVRYECCAPQ-PWSUYJOCSA-N	242.322	3.384	0	1	BGAF	in-vivo
CC1(C)Cc2cc(Cl)cc(Cl)c2C=[N+]1[O-]	38392801	UCOILOQSCAMTST-UHFFFAOYSA-N	244.121	3.257	0	1	BGAF	
O=C1C(c2c[nH]c3ccccc23)=Nc2ccccc21	95596664	DFZMIRCMSFHUGJ-UHFFFAOYSA-N	246.269	3.485	0	1	BGAF	
C/C1=C/[C@H](O)[C@H](C(C)C)CC/C(C)=C/[C@H](O)C1	169369783	QNMWLBQJIVQIBA-PZQJODRXSA-N	238.371	3.057	0	1	BGAF	
c1cc2[nH]c(-c3ccoc3C3CC3)nc2cn1	586901119	JLFHDXDQYPEEFP-UHFFFAOYSA-N	225.251	3.095	0	1	BGAF	
Cc1cc(F)c2[nH]c([C@@H](N)C(C)(C)C)nc2c1	587257614	HRWSOVUZDBCNKV-LLVKDONJSA-N	235.306	3.056	0	1	BGAF	
COc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	587966408	FGHCSMBZQYBNKD-HOSYDEDBSA-N	240.306	3.251	0	1	BGAF	
C/C(=C\c1ccc(-c2ccc(C)cc2)o1)C(N)=O	653741224	UGJRREJXCIRZKJ-PKNBQFBNSA-N	241.290	3.144	0	1	BGAF	
C[C@H](N=O)c1ccc(Br)cc1F	957639335	GMXLXRJDTZUBQW-YFKPBYRVSA-N	232.052	3.416	0	1	BGAF	
CC(C)[C@@H]1C=C[C@H](C)[C@]23CC[C@](C)(O)[C@H]2[C@H]13	2356331614	LMCRYOCEDDKMQA-SOAFEQHCSA-N	220.356	3.242	0	1	BGAF	
CCO[P@@]1(=O)C=CC(Cl)=C(C)C1	5840756	XPXVVCIKUBLFCQ-LBPRGKRZSA-N	206.609	3.341	0	1	BGAF	
CCCCC(=O)c1ncc(-c2ccccn2)o1	13611913	ZGJFSRIJAXSNIH-UHFFFAOYSA-N	230.267	3.110	0	1	BGAF	in-vivo
O=c1c2ccccc2ncn1C=Cc1ccccc1	14684765	UVOZYROPWVOTEY-UHFFFAOYSA-N	248.285	3.024	0	1	BGAF	biogenic
C[C@H]1CC[C@@H]2COC(=O)[C@@H]2C2=CC(C)(C)C[C@H]21	14769153	FCPQZTGWUINDJM-NOHGZBONSA-N	234.339	3.178	0	1	BGAF	
c1cc2c(cc1N1CCCCC1)[C@@H]1C[C@H]2CCN1	61942444	XJEXKGPXFPGEGG-WBMJQRKESA-N	242.366	3.199	0	1	BGAF	
CCOCc1cc2cc3ccc(=O)oc3cc2o1	64560615	SDKNTAMRKMVYTM-UHFFFAOYSA-N	244.246	3.076	0	1	BGAF	
C[C@H]1CCCCN1Cc1coc(-c2ccco2)n1	72141493	FSJLNGHTOUEVSD-NSHDSACASA-N	246.310	3.309	0	1	BGAF	
CC1=CC2=CC(C)(C)C[C@@]23O[C@]1(O)CC[C@H]3C	96911595	XJZWWPVGDNZITE-WKPIXPDZSA-N	234.339	3.177	0	1	BGAF	
COc1ccc2nc(C3=CCCC3)[nH]c2c1	586882966	DKWSONXLLSHRKP-UHFFFAOYSA-N	214.268	3.139	0	1	BGAF	
FC(F)(F)Cc1cnc2cccc3c2c1CC3	587210021	AXBGCFLCMWRVJH-UHFFFAOYSA-N	237.224	3.438	0	1	BGAF	
CC1=C[C@H](O)[C@@H](C(C)C)[C@@H](O)CC(C)=CCC1	2356498194	MEXHQMBFSXHUEF-KKUMJFAQSA-N	238.371	3.057	0	1	BGAF	
CC(C)[C@@H](O)CCC=CC=CC(C)(C)[C@H](C)O	2356843645	NNWCXCVXEGPTMN-KBPBESRZSA-N	240.387	3.303	0	1	BGAF	
Cc1cc2c(cc1O)[C@H](CO)CC[C@@H]2C(C)C	13381481	DXCLZSITICUANS-NWDGAFQWSA-N	234.339	3.310	0	1	BGAF	biogenic
CC(=O)c1ccc(-c2nc(O)c(C)s2)cc1	13822568	OSZJSJNNCXUCMW-UHFFFAOYSA-N	233.292	3.027	0	1	BGAF	
C=C/C=C/CCCCCCC[C@@H](O)[C@@H](C)N	34360984	PDPUNMLGRNINFK-KOABKASLSA-N	225.376	3.167	0	1	BGAF	
C=C/C(C)=C/[C@@]1(C)SC(=O)[C@@H](CCC)C1=O	169693622	GVIJESVZAQVLAG-NBICGZMJSA-N	238.352	3.136	0	1	BGAF	
CN1C[C@H]2c3ccccc3[C@H]1[C@H]1CCC[C@@H]12	253669647	SYUCGKZXQQTLMH-MXAVVETBSA-N	213.324	3.187	0	1	BGAF	
COc1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2n1	587968288	YQVQXCVZKNVDHG-NXEZZACHSA-N	243.310	3.036	0	1	BGAF	
Oc1ccc(-c2ccc3c[nH]nc3c2)cc1F	1857633972	XYULXSDOYNJDNE-UHFFFAOYSA-N	228.226	3.075	0	1	BGAF	
C[C@@H]1CC[C@]2(C)C(C(=O)O)=C[C@]3(C)CC[C@@H]1[C@@H]23	2356522921	YSMNEPXZBBDNRL-UCTJBKIYSA-N	234.339	3.480	0	1	BGAF	
C[C@@H]1CC[C@@H]2c3ccc(O)cc3CC[C@@H]2C1=O	2356543350	MAADCTVGGLZKQS-FZQKWOKYSA-N	230.307	3.037	0	1	BGAF	
CN1C(=O)c2ccccc2N(C)c2ccccc21	5851910	LDLKWBJEWKXLON-UHFFFAOYSA-N	238.290	3.045	0	1	BGAF	
C[C@@H]1CC[C@H](O)C2=CC[C@@H]3[C@@H](C3(C)C)[C@]21C	14856043	CSUIUQRZISBPSM-PYISLEMLSA-N	220.356	3.386	0	1	BGAF	biogenic,in-vitro
CCCCN(C(=O)C(C)C)c1ncc(CC)o1	39246437	LYZQNEJEVBPKLU-UHFFFAOYSA-N	238.331	3.026	0	1	BGAF	
COC(=O)[C@H]1[C@H](/C=C/c2ccccc2)C1(C)C	59683554	VIMNPLWHPFATBD-CCJARXIYSA-N	230.307	3.145	0	1	BGAF	
CO[C@@H]1[N+]([O-])=C(/C=C/c2ccccc2)CC1(C)C	95581485	SMDIYMPYWLCZDA-HBWSCVEGSA-N	245.322	3.054	0	1	BGAF	
Oc1ccccc1/C=C/c1cc(O)c(F)c(O)c1	211416352	RILTXHFRAXAVMU-AATRIKPKSA-N	246.237	3.113	0	1	BGAF	
C[C@@]1(c2cc3c4c(cccc4n2)CC3)CCCO1	587216269	YGCUFRAZCIMBGW-INIZCTEOSA-N	239.318	3.359	0	1	BGAF	
CCCCCC=CC[C@@H]1OC(=O)C[C@@H]1C	2356539351	LHLQGGXPUHSSSP-RYUDHWBXSA-N	210.317	3.465	0	1	BGAF	
Cn1cccc1Cc1ccc2ccccc2c1O	27203342	QBMAYTUJTYZNFS-UHFFFAOYSA-N	237.302	3.475	0	1	BGAF	
Cc1cc2c(C(C)C)cc(O)c(C=O)c2cc1O	96922416	GBYIRCXHWOBGHE-UHFFFAOYSA-N	244.290	3.495	0	1	BGAF	
N[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(Cc1ccccc1)C3	169300072	PUOAXAQCVOTVQP-QAXWGOSPSA-N	241.378	3.383	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@H]1CC=C(C)[C@H](O)[C@H]1O	231162373	SDAWXTDBEYZMMX-RZFFKMDDSA-N	238.371	3.057	0	1	BGAF	
CSCC(C)(C)c1nc2ccc(F)cc2[nH]1	586968831	JRUZOSVGJJGWMX-UHFFFAOYSA-N	238.331	3.343	0	1	BGAF	
CCCN(CCC)[C@H]1CCn2c(C)ccc2C1	13642094	OAWCCPORHBJQQY-AWEZNQCLSA-N	234.387	3.233	0	1	BGAF	
CCCN1CCc2cccc3c2[C@@H](CCC3)C1	27716754	BJNZWVBFLRDDPB-HNNXBMFYSA-N	229.367	3.375	0	1	BGAF	
Cc1c(CO)cccc1-c1cccc(Cl)n1	1772577134	UJKMOOWEMQWZCM-UHFFFAOYSA-N	233.698	3.203	0	1	BGAF	
CC1=CC[C@H](O)[C@](C)(O)C=C[C@H](C(C)C)CC1	2356534042	GHCUEDNOTXRLCD-QLFBSQMISA-N	238.371	3.057	0	1	BGAF	
CCOC(=O)c1cc(/C=C/c2ccccc2)on1	45253864	PRKGBPDWXFWYMR-CMDGGOBGSA-N	243.262	3.022	0	1	BGAF	
CC[C@H](C)[C@@H]1N[C@@H](C)S[C@@H](C)S1	100828978	WONMKWKUDGYZEA-JQCXWYLXSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
O=c1c(/C=C/c2ccccn2)coc2ccccc12	103232366	IVTMPVRKQVETBZ-CMDGGOBGSA-N	249.269	3.358	0	1	BGAF	
CN1[C@@H]2CC[C@@H]1[C@@H](c1ccc(Cl)cc1)C2	169320226	GIBMVDGLFWHJMW-JHJVBQTASA-N	221.731	3.290	0	1	BGAF	
O=NC=C1C=CN(COCc2ccccc2)C=C1	211583461	ZQLBTUXYWGYITM-UHFFFAOYSA-N	242.278	3.154	0	1	BGAF	
CC[C@H](C)[C@@H]1S[C@@H](C)N[C@@H](C)S1	261499612	BLDFHTPIEUHZJY-RBXMUDONSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
Cc1cc(C)c2[nH]c([C@@H](O)CC(C)C)nc2c1	586900282	CLLIFJNSIBTPSG-LBPRGKRZSA-N	232.327	3.259	0	1	BGAF	
C[C@H](c1nc2ccccc2[nH]1)n1cc(Cl)cn1	587082768	VKSRQFKYMMUOLD-MRVPVSSYSA-N	246.701	3.022	0	1	BGAF	
CCCC/C=C\c1nc2ccnc(OC)c2[nH]1	587966197	SRFNSWBUNOFUEN-SREVYHEPSA-N	231.299	3.170	0	1	BGAF	
Clc1cnccc1-c1c[nH]c2cnccc12	1772580399	FAGCWSSKPXDDJP-UHFFFAOYSA-N	229.670	3.278	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@@H](CCC[C@H]1C(=O)O)C2	2356665124	VCWWNXMTMQUZKV-ITDIGPHOSA-N	248.322	3.194	0	1	BGAF	
C/C=C(C)/C=C(\C)c1cc(OC)c(C)c(=O)o1	15120871	SHJHZIUPBJKXFY-KZZDLZNXSA-N	234.295	3.326	0	1	BGAF	
C[C@@H]1CCC[C@@H]2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C	2356732444	QHNIGCGGGCYOFP-BQVODAHPSA-N	222.372	3.466	0	1	BGAF	
CC1=Cc2c(C)c(CCO)c(C)c(O)c2[C@H]1C	15258225	IJEGRKIUFWRYIL-VIFPVBQESA-N	232.323	3.064	0	1	BGAF	biogenic,in-vitro
O=C1[C@H]2CCC=CCC[C@@H]2N1Cc1ccccc1	28135770	NWAIKZYIQAWVJV-GJZGRUSLSA-N	241.334	3.144	0	1	BGAF	
CC(=O)[C@@H]1CC[C@H]2[C@H]1[C@H](C(C)C)CC[C@]2(C)O	36375279	WLXJHVQYKOJBBN-YTFOTSKYSA-N	238.371	3.035	0	1	BGAF	biogenic,in-vitro
Cc1[nH]nc2c1CCC[C@@H]1c3ccccc3N[C@@H]21	40891959	PWTTWLQRFVOJIZ-TZMCWYRMSA-N	239.322	3.305	0	1	BGAF	
Oc1cc(O)cc(/C=C/c2cccc(F)c2)c1	40951037	MMDDHOZYUASFIP-SNAWJCMRSA-N	230.238	3.407	0	1	BGAF	
Cc1ccc2c(c1)C(=O)[C@H](c1ccccc1)CO2	84633385	UYZJHPNSNCJWIL-AWEZNQCLSA-N	238.286	3.354	0	1	BGAF	
CCNC12C[C@H]3CC(C[C@@H](C3)C1)C2(C)C	103026695	TXYBZYXQJDJFQC-IBQNZTRDSA-N	207.361	3.201	0	1	BGAF	
Cc1cc2ccc3c(c2cn1)O[C@H](C(C)C)C3=O	138157576	JROFCJKUGPMKCQ-CQSZACIVSA-N	241.290	3.143	0	1	BGAF	
COc1ccc2c(c1)[C@H]([C@@H]1C[C@@H]1C)N[C@@H]1CC[C@@H]21	962998341	VLSRIMXTCHOTAM-BRKCAASYSA-N	243.350	3.242	0	1	BGAF	
Cc1cc2c(c3c1CC(=O)N3)[C@H](C)C[C@H]2C	2356400465	AAQZKECTNJZCJP-VXNVDRBHSA-N	215.296	3.100	0	1	BGAF	
Cc1nc(NC(C)C)cc(-c2ccccc2)n1	12016443	AFDGDCXZKBUQBL-UHFFFAOYSA-N	227.311	3.272	0	1	BGAF	
Cc1cc2c(cc1O)[C@@H](C)CC[C@H]2[C@@H](C)CO	13381480	JZRBLGYAAXGCNI-DLOVCJGASA-N	234.339	3.310	0	1	BGAF	biogenic,in-vitro
CCc1nc([C@@H](C)c2c[nH]cn2)c(CC)s1	13802739	CCHUDGDIMFXMNF-QMMMGPOBSA-N	235.356	3.143	0	1	BGAF	
COc1ccc(C=O)c2c1CC1(CCCCC1)O2	26648166	XUHRKKKQTGPWNQ-UHFFFAOYSA-N	246.306	3.146	0	1	BGAF	
Fc1ccc2c(c1)[C@H]1CN[C@H](C2)c2ccccc21	100104723	WSTMLPIHCJDBFV-JKSUJKDBSA-N	239.293	3.158	0	1	BGAF	
Oc1ccc2c(c1)CC[C@H]1[C@H](c3ccncc3)[C@H]21	195242020	PMBWFLFXHMHHCP-HRCADAONSA-N	237.302	3.231	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)C1(CCC1)C4)CC2	587215425	NTBZIZNPXKYMMF-UHFFFAOYSA-N	221.303	3.311	0	1	BGAF	
CSCCc1cnc2cccc3c2c1CC3	587216514	CVEVCGSGVJDAML-UHFFFAOYSA-N	229.348	3.239	0	1	BGAF	
CN(C)[C@H]1CCc2c(cccc2-c2ccco2)C1	1911586881	FTZQFUVNCMYZHL-ZDUSSCGKSA-N	241.334	3.366	0	1	BGAF	
Nc1ccc(C=Cc2ccccc2N)cc1	2356315718	HLALXAJDRFVJQK-UHFFFAOYSA-N	210.280	3.021	0	1	BGAF	
Fc1ccc2c(c1)CC/C2=C\c1cncnc1	13535842	LEJPKWXGQFBXRX-VZUCSPMQSA-N	226.254	3.103	0	1	BGAF	in-vivo
c1ccc2c(Cc3nc4ccncc4[nH]3)c[nH]c2c1	72319612	IYXGZEZOEUQOLV-UHFFFAOYSA-N	248.289	3.030	0	1	BGAF	in-vitro
CCc1ccc(Oc2cccc(F)n2)c(O)c1	95574006	RSSTZQXYNAGANY-UHFFFAOYSA-N	233.242	3.281	0	1	BGAF	
CC(C)CCOc1ccc2c(c1)C[C@H](C)O2	98085620	AKIXJLNQTIMSRC-NSHDSACASA-N	220.312	3.435	0	1	BGAF	
CCNC12CC3C[C@](C)(C1)C[C@](C)(C3)C2	100801993	FTXVGNKOUJOOHU-QPPOZKHWSA-N	207.361	3.345	0	1	BGAF	
C[C@@H](c1cccs1)c1ccc(O)cc1O	147054439	SJKDLOJANSYBDC-MRVPVSSYSA-N	220.293	3.311	0	1	BGAF	
CCCCCN(C)[C@H]1CCc2c(O)cccc2C1	169329540	DYENUBLCHLNQIT-AWEZNQCLSA-N	247.382	3.372	0	1	BGAF	
C(=C1C2CC3CC(C2)CC1C3)C1CCNCC1	1772630718	NEHITFGLBHIPJC-UHFFFAOYSA-N	231.383	3.369	0	1	BGAF	
CC1=CC2=CC(C)(C)C[C@@]23O[C@@]1(O)CC[C@H]3C	2356508452	XJZWWPVGDNZITE-ONERCXAPSA-N	234.339	3.177	0	1	BGAF	
CCC=CC[C@H]1CC(=O)C[C@@H]1CCCC(=O)O	2356573974	IIQIFLGVPCPTRP-RYUDHWBXSA-N	238.327	3.193	0	1	BGAF	
CC=CCCC=CC=CC(=O)N1CCCCC1	2356734677	KCDOVRRODRAKCG-UHFFFAOYSA-N	233.355	3.468	0	1	BGAF	
CCCN1Cc2cccc3[nH]cc(c23)C[C@H]1C	6380274	JUUWHTWSYWGMDK-LLVKDONJSA-N	228.339	3.325	0	1	BGAF	
C[C@H]1c2cc(O)ccc2O[C@H]1c1ccc(O)cc1	13461447	MONNAPDKXVIYTJ-BJOHPYRUSA-N	242.274	3.335	0	1	BGAF	biogenic
CC1(C)CCC[C@]2(C)[C@@H]3COC(=O)C3=CC[C@@H]12	15148136	UMUMRNRVJNFLPT-TYNCELHUSA-N	234.339	3.322	0	1	BGAF	biogenic
c1ccc(C2(N3CCCCC3)CC2)cc1	29218407	SJKRDKFSXUKBOP-UHFFFAOYSA-N	201.313	3.162	0	1	BGAF	
C[C@@H]1CC[C@@H](O)[C@@]23C[C@@H]4[C@@H](C[C@@]12C)[C@@]4(C)C3	102945435	VMCKVEZJNIGBQQ-ZFPHAMITSA-N	220.356	3.220	0	1	BGAF	
CC/C=C(C)/C=C/c1oc(=O)cc(OC)c1C	238764712	HKAIFSLAZQJCJF-IQXTZUCASA-N	234.295	3.326	0	1	BGAF	
C[C@@H](O)CCCC=CCCC=CC=CC(=O)O	2356709248	UZOXUKLWMRPYCQ-CYBMUJFWSA-N	238.327	3.071	0	1	BGAF	
CC1=CC[C@H](C(C)=CC[C@H](O)C(C)(C)O)CC1	2356748080	SMFKOVDEXIFUCB-KBPBESRZSA-N	238.371	3.201	0	1	BGAF	
O=C1NC2(CCCCC2)[C@H]2CCCCC[C@H]12	1619815	YSQPZBDEMHFNCQ-RYUDHWBXSA-N	221.344	3.016	0	1	BGAF	
COc1ccc2c(c1)[C@@]1(C)CC[C@@H](O2)C12CC2	28088135	FJUNFEHKGUSLIA-ZIAGYGMSSA-N	230.307	3.288	0	1	BGAF	
CC/C=C(C)/C=C/c1cc(=O)c(C)c(OC)o1	34383164	PXPJSJYEBJNCLO-IQXTZUCASA-N	234.295	3.326	0	1	BGAF	
CC(C)Nc1cc(-c2cc(F)cc(F)c2)ncn1	82162448	CNYGHEYYNXVHBH-UHFFFAOYSA-N	249.264	3.242	0	1	BGAF	
CC(C)CCOc1ccc2c(c1)C[C@@H](C)O2	98085619	AKIXJLNQTIMSRC-LLVKDONJSA-N	220.312	3.435	0	1	BGAF	
CCCCCC(=O)OCCCOCCCC	205194602	VGEHGDPOPHRODU-UHFFFAOYSA-N	230.348	3.317	0	1	BGAF	
Oc1ccc2nc(-c3occ4c3CCC4)[nH]c2c1	586905514	RXUVFGIZWJMEDS-UHFFFAOYSA-N	240.262	3.017	0	1	BGAF	
Cc1nc2cccc3c2c(c1[C@H]1CCOC1)CC3	587215370	GUEWOOBWEHUBAP-LBPRGKRZSA-N	239.318	3.146	0	1	BGAF	
Cc1ccnc2c1CCN[C@@]21C[C@@H](C)CC1(C)C	963066361	GWQUMQCARHISBH-ZBEGNZNMSA-N	244.382	3.187	0	1	BGAF	
C/C=C/CN(C)Cc1coc2ccccc12	1772575669	OBLQWYNGZCACJZ-ONEGZZNKSA-N	215.296	3.441	0	1	BGAF	
C1C[C@H]2[C@@H]3CCC[C@]24[C@@H](CCCN4C1)CC3	2356348026	WEUSZYFSAZZUMH-QPSCCSFWSA-N	219.372	3.441	0	1	BGAF	
N[C]1SC2=C(CCCC2)N1Cc1ccccc1	2356838341	JLJGGTNNMYLMBA-UHFFFAOYSA-N	245.371	3.427	0	1	BGAF	
CCCN(CCC)[C@@H]1COc2ccccc2C1	13737124	AFJZCPCUPUMAIA-AWEZNQCLSA-N	233.355	3.112	0	1	BGAF	
CC(=O)CC[C@@H]1[C@H]2C(=O)CC[C@@]2(C)CC1(C)C	14694837	GTUMAHOVZNSHNI-ZLDLUXBVSA-N	236.355	3.387	0	1	BGAF	biogenic
O=c1ccc(Cl)cn1-c1cccc(Cl)c1	73296459	RPQVCLCAWZLJSF-UHFFFAOYSA-N	240.089	3.144	0	1	BGAF	
CCCN1CC[C@]2(c3ccc(O)cc3)CC[C@@H]1C2	100706783	NEHTUDBJCBLDNI-GDBMZVCRSA-N	245.366	3.298	0	1	BGAF	
COC(=O)[C@H]1[C@H](/C=C\c2ccc(F)cc2)C1(C)C	103195510	YFGAUELSBNQERX-QDIXBRCLSA-N	248.297	3.284	0	1	BGAF	
Cc1cccc(NC2=N[C@H](C)CC2)c1C	143013208	UINIHUSFDWMIKU-SNVBAGLBSA-N	202.301	3.296	0	1	BGAF	
c1cnc2ccc([C@H]3CN4CCC3CC4)cc2c1	653782530	XZVMNMZLBUKKAO-HNNXBMFYSA-N	238.334	3.044	0	1	BGAF	
CCC=C(C)C=Cc1cc(=O)c(C)c(OC)o1	2356513068	PXPJSJYEBJNCLO-UHFFFAOYSA-N	234.295	3.326	0	1	BGAF	
CC1=CCC(=O)[C@H](C)CC[C@H](C(C)(C)O)CC1	2356753209	DWMJDYZSFOSGLA-CHWSQXEVSA-N	238.371	3.489	0	1	BGAF	
NC[C@H]1[C@@H](c2ccc(Cl)cc2)[C@H]2CC[C@@H]1C2	13795200	JGDHOGCSEVVPRV-WVWOOGAGSA-N	235.758	3.428	0	1	BGAF	
COC(C)(C)/C=C/c1cc(C(C)=O)ccc1O	14455158	DOAGZEWHYDYMSW-BQYQJAHWSA-N	234.295	3.033	0	1	BGAF	
O[C@@H]1CCC2=C(C1)C[C@H](CCN1CCCCC1)C2	169327456	JETQOIJXQDJVMI-CZUORRHYSA-N	249.398	3.114	0	1	BGAF	
Clc1ccc([C@H]2C[C@H]3CCCC[C@H]2N3)cn1	261155228	PSZQXCJRVPDKIE-IJLUTSLNSA-N	236.746	3.123	0	1	BGAF	
C[C@@H](N=O)c1ccc(Br)cc1F	957639334	GMXLXRJDTZUBQW-RXMQYKEDSA-N	232.052	3.416	0	1	BGAF	
c1ccc2c(c1)C[C@H]1Oc3ccccc3[C@H]2O1	2356347063	ASHMVGWVBDFUQG-GJZGRUSLSA-N	224.259	3.067	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C2(C)C)[C@]12[C@@H](C)CC[C@H]2O	2356620088	FFQOLUDKOBQBCT-BGPZULBFSA-N	220.356	3.386	0	1	BGAF	
CCOc1ccc2c(c1)ncn2-c1ccccc1	3815792	JFCSRORENGKHOD-UHFFFAOYSA-N	238.290	3.424	0	1	BGAF	
C[C@@]12C[C@@]34C[C@@H]1[C@@H]2[C@@]3(C)CCC[C@@]4(C)CO	14951224	DPRMZBLRPGILRY-YXJLRHLOSA-N	220.356	3.221	0	1	BGAF	
Cc1c(O)n[nH]c1Cc1ccc2ccccc2c1	27657755	YGYKRYXRAJPMSD-UHFFFAOYSA-N	238.290	3.168	0	1	BGAF	
C[C@@H]1CCC2=C3C1=COC[C@@]3(C)[C@H](O)C2(C)C	40935860	FMUFYIFXWSUYSC-XXLQHYSLSA-N	234.339	3.034	0	1	BGAF	
Cc1ccc(-c2cc(=O)c3ccc(O)cc3o2)o1	653729577	GFIBICMVBSOGJD-UHFFFAOYSA-N	242.230	3.067	0	1	BGAF	
CN1[CH]c2cc3c(cc2-c2ccccc21)OCO3	2356847362	WMUUIDKBHFUJTR-UHFFFAOYSA-N	238.266	3.042	0	1	BGAF	
C[C@H](N)C1c2ccccc2Cc2ccccc21	13473111	OXLDTPJMGXRPDN-NSHDSACASA-N	223.319	3.070	0	1	BGAF	
N[C@@H]1[C@@H]2CC[C@@H]1c1ccc(C(F)(F)F)cc1C2	100820188	WOHWQAPSLJHLKN-NZXMKCKXSA-N	241.256	3.082	0	1	BGAF	
CCc1cccc(Nc2n[nH]c3cccnc23)c1	166879471	YUBBHTCVWUJBBU-UHFFFAOYSA-N	238.294	3.264	0	1	BGAF	
Cc1ccc2nc(-c3occ4c3CCC4)[nH]c2n1	586905544	SYPLIJUKAKHPLF-UHFFFAOYSA-N	239.278	3.015	0	1	BGAF	
Cc1cccc(CSCC(=O)C(F)(F)F)c1	13859433	PIZOBNYCOACYRM-UHFFFAOYSA-N	248.269	3.360	0	1	BGAF	
COc1c(C)cc(OC)c2c(OC)cccc12	14592443	NPWIHJCFBQENJU-UHFFFAOYSA-N	232.279	3.174	0	1	BGAF	biogenic
Oc1ccc2c(c1)Cc1c-2[nH]c2ccccc12	45340212	AECQYBVEPFXPNZ-UHFFFAOYSA-N	221.259	3.445	0	1	BGAF	
O=C1[C@H]2CC/C=C/CC[C@@H]2N1Cc1ccccc1	100488186	NWAIKZYIQAWVJV-QJVFMVDXSA-N	241.334	3.144	0	1	BGAF	
CC(C)[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(N(C)C)C3	103027306	XTXGMPJBMMXLQQ-ZHLCCONPSA-N	221.388	3.399	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cncc(C)c2[nH]1	586892062	SYZMQYQJSBJARC-TVQRCGJNSA-N	215.300	3.170	0	1	BGAF	
CC1=C[C@H](O)[C@@H](C(C)C)C[C@@H](O)C(C)=CCC1	2356754244	PKOQIYPPSKQSIQ-KFWWJZLASA-N	238.371	3.057	0	1	BGAF	
O=C1Cc2cccc(C3CCCCC3)c2O1	29240791	CPKALYGVOMDMQA-UHFFFAOYSA-N	216.280	3.196	0	1	BGAF	
CC[C@H](C)c1[nH]c2ccccc2c1CCNC	72124453	VWKYWYIZNQDOMN-NSHDSACASA-N	230.355	3.443	0	1	BGAF	
C[C@@H]1CC[C@]2(C)C(=O)c3ccoc3C[C@]12C	86049059	CSUSIQBEPMPDCP-OWYVNGRQSA-N	218.296	3.461	0	1	BGAF	
CC1=C[C@@H]2CC[C@]1(C)C/C2=C(/C)OC=O	102945450	FWKPDPWUSHLWRV-ZWRVYWDGSA-N	206.285	3.200	0	1	BGAF	
C1=C(c2nc3cc4cn[nH]c4cc3[nH]2)CCC1	586886013	YRJQUVTVVNFJGZ-UHFFFAOYSA-N	224.267	3.007	0	1	BGAF	
Cn1cccc1-c1cc2c3c(cccc3n1)CC2	587211490	RNGJJDNCBXKKSL-UHFFFAOYSA-N	234.302	3.339	0	1	BGAF	
O=C(/C=C/c1ccccc1)N[C@H]1C[C@H]2CC[C@@H]1C2	1461712	PHECXNWAUDAWII-AJZFBELYSA-N	241.334	3.005	0	1	BGAF	
Cc1ccc(C[n+]2ccc(N)c3ccccc32)cc1	71331225	XYEWNYBUMALDPB-UHFFFAOYSA-O	249.337	3.066	0	1	BGAF	
C[C@]12N[C@@](F)(Cc3ccccc31)c1ccccc12	100649314	QWQKTSIJXLQBCC-HOTGVXAUSA-N	239.293	3.232	0	1	BGAF	
Cc1ncncc1-c1cc2c3c(cccc3n1)CC2	587211184	ASWHEXGEUAUMLI-UHFFFAOYSA-N	247.301	3.099	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@H]3C(=O)COC3=CC[C@H]12	2356662259	JJURWYXZUIFCGL-IPYPFGDCSA-N	234.339	3.322	0	1	BGAF	
C[C]1C=C(C)C=CN1CC(=O)c1ccccc1	2356828297	VPKPMRYVWXRNEY-UHFFFAOYSA-N	226.299	3.197	0	1	BGAF	
O=C(O)c1cccc(-c2ccc(Cl)cc2)c1O	149448889	MWYBJGCSQMHYEH-UHFFFAOYSA-N	248.665	3.411	0	1	BGAF	
Cc1sc2c(c1[C@H]1C=CNC=N1)CCCC2	218949471	WARAMBTWLVENNZ-LLVKDONJSA-N	232.352	3.122	0	1	BGAF	
NCc1cc2cc(-c3cccnc3)ccc2s1	1857600267	QNAFIEDMPJRDPA-UHFFFAOYSA-N	240.331	3.422	0	1	BGAF	
Cc1cc(C2=C(C(C)C)CC[C@H]2C)oc(=O)c1O	1911570570	GFNVZUBJAOSDGR-SECBINFHSA-N	248.322	3.493	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@]1(O)CCC(C)=C[C@H]1O	13377241	XSCKUUHHFRRUMW-RRFJBIMHSA-N	238.371	3.201	0	1	BGAF	biogenic
CNc1ccc(-c2cn3cc(C)ccc3n2)cc1	13558815	BZCLHXUEJWOHES-UHFFFAOYSA-N	237.306	3.351	0	1	BGAF	
COc1cnc2c3c(nccc13)-c1ccccc1-2	14516792	DEZBPSHVMNGSSC-UHFFFAOYSA-N	234.258	3.286	0	1	BGAF	biogenic
c1ccc2c(c1)[C@@H]1CC[C@@H]2N2CCCC[C@@H]12	169327399	XUWUJNGIAHFEKU-KKUMJFAQSA-N	213.324	3.473	0	1	BGAF	
Cc1ccc2nc(/C=C\c3ccsc3)[nH]c2n1	587026646	WGAODZDQDFJIDK-HYXAFXHYSA-N	241.319	3.498	0	1	BGAF	
CC1=C2C=C3[C@H](C)CCC[C@]3(C)C[C@@H]2OC1=O	15207389	CGVHAHMLYINLQL-ZDBHGNHJSA-N	232.323	3.385	0	1	BGAF	biogenic
CC(=CCC[C@@](C)(O)c1ccc(C)cc1)C(=O)O	2356711120	JPYPXCYONUJEGT-OAHLLOKOSA-N	248.322	3.014	0	1	BGAF	
CC(C=C[C@@]1(C)C=CCC(C)(C)C1=O)=CC(=O)O	2356721233	YMEFRSQFXGVNCO-OAHLLOKOSA-N	248.322	3.135	0	1	BGAF	
Cc1cc(-c2cc3c4c(cccc4n2)CC3)on1	587211942	MYBLTNZTSAQYBQ-UHFFFAOYSA-N	236.274	3.297	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](CCC(C)C)O2	587404942	HTNZMHBKJVBBKQ-NSHDSACASA-N	247.338	3.347	0	1	BGAF	
Cc1ccc2c(c1)C(=CC(C)C)C=C2CO	2356713787	RYMVRCNUFQDGOQ-UHFFFAOYSA-N	214.308	3.424	0	1	BGAF	
Cc1ccc2oc(=O)c(-c3ccccc3)nc2c1	1633396	ZUFVCKNPNRKVLV-UHFFFAOYSA-N	237.258	3.163	0	1	BGAF	
CCCN1CC[C@@H]2c3c(cccc3OC)CC[C@@H]21	13826500	HPUKPOAWHHZLIX-KBPBESRZSA-N	245.366	3.209	0	1	BGAF	
CCN(CC)C(=O)c1cc(C(C)(C)C)ccc1O	34395938	KINDQSAHRLPQMG-UHFFFAOYSA-N	249.354	3.172	0	1	BGAF	
CCc1cccc2[nH]c3c(c12)C[C@H](N(C)C)CC3	39214058	RQIODBKLHDKUFO-GFCCVEGCSA-N	242.366	3.149	0	1	BGAF	
O=C1NCc2cccc(-c3cc4ccccc4[nH]3)c21	40943681	LEXHMAXLGJIDED-UHFFFAOYSA-N	248.285	3.078	0	1	BGAF	
CCOc1cccc2[nH]c(-c3ccccn3)nc12	113173626	AIRZBZGBLBJZCJ-UHFFFAOYSA-N	239.278	3.024	0	1	BGAF	
CC(=O)[C@@H]1[C@H]2CC(=O)C[C@]2(C)CCCC1(C)C	13307002	MMKGCZLPPJRCFV-NFAWXSAZSA-N	236.355	3.387	0	1	BGAF	biogenic
Fc1ccc2nc(C3=CCCC3)[nH]c2c1	586882746	AVHUGHZKUARZDS-UHFFFAOYSA-N	202.232	3.269	0	1	BGAF	
CC[C@H]1OCCC[C@H]1c1nc2cccc(F)c2[nH]1	586909924	GCBRPVHZGXNRLA-BXKDBHETSA-N	248.301	3.375	0	1	BGAF	
C/C1=C\CC(C)(C)/C=C/C(=O)[C@@H](C)[C@@H](O)CC1	14454911	OIBRGSMIBZDMCG-GJQYAJETSA-N	236.355	3.265	0	1	BGAF	
CC(C)CCc1c(O)ccc2ccc(=O)oc12	29478385	OPOVCOUIJWXXMF-UHFFFAOYSA-N	232.279	3.087	0	1	BGAF	
Cc1cccc(-c2cccc3onc(N)c23)c1	63539196	ZBQOHMKSDBXJBL-UHFFFAOYSA-N	224.263	3.385	0	1	BGAF	
O=C1c2ccccc2-c2ccnc3cccc1c23	100675324	AQRBGHFSBWVHRO-UHFFFAOYSA-N	231.254	3.446	0	1	BGAF	
C[C@@H]1CC[C@]2(O)[C@@H]1[C@H]1[C@@H](CC[C@H]2C)C1(C)C	238732506	QWRTXOOFEHOROQ-QUMMREBQSA-N	222.372	3.466	0	1	BGAF	
COc1cc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2cn1	587968213	WADKAHBTGSNHSZ-NXEZZACHSA-N	243.310	3.036	0	1	BGAF	
CC1=C2[C@H]3OC(=O)[C@@H](C)[C@H]3CC[C@@H](C)[C@H]2CC1	2356534638	OCPXKGAHCXKMKP-ZHFVHPGNSA-N	234.339	3.321	0	1	BGAF	
CCc1ccc(O)c([C@H](O)c2ccccc2)c1	28761490	JUWQWDKXUMUDFG-OAHLLOKOSA-N	228.291	3.036	0	1	BGAF	
Fc1ccccc1C1=N[C@@H](c2ccccc2)CO1	40566842	MMGRLDUNRZEAQW-CQSZACIVSA-N	241.265	3.344	0	1	BGAF	
CC[C@@H](C)C1S[C@@H](C)N[C@H](C)S1	95620598	BLDFHTPIEUHZJY-CSMHCCOUSA-N	205.392	3.120	0	1	BGAF	in-man
Clc1ccc([C@H]2C[C@@H]3CCCC[C@@H]2N3)cn1	100057776	PSZQXCJRVPDKIE-TUAOUCFPSA-N	236.746	3.123	0	1	BGAF	
C[C@@H]1C(=O)C[C@H](C(C)(C)C)N[C@H]1C(C)(C)C	299846529	SXWHWRLSIYZHJH-YUSALJHKSA-N	225.376	3.014	0	1	BGAF	
C[C@@H]1CCCN1c1ccc2ncccc2c1	299861212	HVKYWOIKINNFPD-LLVKDONJSA-N	212.296	3.224	0	1	BGAF	
C[C@@H]1CCc2c1nc1cccc3c1c2CC3	587214788	YVSKZHMLENJQNX-SECBINFHSA-N	209.292	3.383	0	1	BGAF	
CC[C@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403544	NTYFRAYPVUOMAC-ZUZCIYMTSA-N	247.338	3.347	0	1	BGAF	
COc1ccc([C@@H]2Cc3ccccc3O2)cc1O	2356283270	KIEGOZVZHYJEGD-HNNXBMFYSA-N	242.274	3.077	0	1	BGAF	
CC1=CC[C@]2(C)C(=C(C)C(=O)[C@@H](O)[C@@H]2C)CC1	14649730	FUPXAIKSURJKNB-CQDKDKBSSA-N	234.339	3.019	0	1	BGAF	biogenic
NCCC1c2ccccc2Cc2ccccc21	27723689	OWPHKTVZEZNCMB-UHFFFAOYSA-N	223.319	3.072	0	1	BGAF	in-vivo
O=C(CC(=O)c1ccccc1)Cc1ccccc1	100060354	LIKQHVGPOUBDTG-UHFFFAOYSA-N	238.286	3.071	0	1	BGAF	
CCCC(CCC)NC(=O)c1cccc(OC)c1	114429956	FIGQGAQQKWFKQK-UHFFFAOYSA-N	249.354	3.394	0	1	BGAF	
CC(=CCC[C@H](C)[C@@H]1CCC(C)=C[C@H]1O)CO	2356546214	DFIUOPFZVPTMHK-SOUVJXGZSA-N	238.371	3.059	0	1	BGAF	
C[C@H]1C[C@@H](C=O)C(C=O)=CC2=C1CC(C)(C)C2	14486917	WGSUXNDLENVQGH-JQWIXIFHSA-N	232.323	3.083	0	1	BGAF	biogenic
Cc1cc(C(=O)c2cccs2)cc(C)c1O	29551087	NWBATPAOQPYQNU-UHFFFAOYSA-N	232.304	3.302	0	1	BGAF	
CC1(C)CC(=O)[C@]23CCC(=O)[C@](C)(CC[C@@H]12)C3	39120951	FGHWBFRAAVLHJZ-VQISRLSMSA-N	234.339	3.141	0	1	BGAF	
FC(F)(Cl)O[C@](F)(Cl)C(F)(F)F	40828555	JCAPYDIZBNRKBL-SFOWXEAESA-N	236.926	3.217	0	1	BGAF	
NC[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1cccc(Cl)c1	169373222	IRNIZNAXVXVLJU-VMXABPDPSA-N	235.758	3.428	0	1	BGAF	
CC1(C)C(=O)C[C@@]23CCC[C@](C)(CC(=O)[C@@H]12)C3	195501280	IDXVGRTXFXYOCS-NWANDNLSSA-N	234.339	3.141	0	1	BGAF	
CC[C@H]1OCCC[C@@H]1c1nc2cccc(F)c2[nH]1	586909928	GCBRPVHZGXNRLA-JOYOIKCWSA-N	248.301	3.375	0	1	BGAF	
Oc1cccnc1-c1cc2c3c(cccc3n1)CC2	587213216	UNKSWNJPRYAVSP-UHFFFAOYSA-N	248.285	3.101	0	1	BGAF	
CC(C)Cc1ccc([C@H](C)[C@@H](N)N=O)cc1	957756672	HMDXZTMSVMICBD-GWCFXTLKSA-N	220.316	3.040	0	1	BGAF	
CC(=O)NCC[C@@H]1Cc2cccc3cccc1c23	13834474	MKXJFIHECBDMDM-CYBMUJFWSA-N	239.318	3.006	0	1	BGAF	
COc1cc2ccc(=O)oc2cc1OC=C(C)C	14488194	LDNUPHBBVMDOTA-UHFFFAOYSA-N	246.262	3.104	0	1	BGAF	biogenic
C[C@H]1c2cc(Cl)c(Cl)cc2[C@H]2CNC[C@H]21	36270542	VRECLQQMMYLGAN-JMOVZRAMSA-N	242.149	3.414	0	1	BGAF	
Cc1cocc1CCCOC(=O)c1ccccc1	103219604	QZDBZTVAJKCRTH-UHFFFAOYSA-N	244.290	3.378	0	1	BGAF	
CCN(CC)c1c(C)[nH]c2cccc(F)c12	587635302	JTKPBOVKMZFPNS-UHFFFAOYSA-N	220.291	3.462	0	1	BGAF	
CC(=CCC[C@H](C)[C@@H]1CCC(C)=C[C@@H]1O)CO	2356546212	DFIUOPFZVPTMHK-KKUMJFAQSA-N	238.371	3.059	0	1	BGAF	
C[C@H](N)Cn1ccc2c1-c1cc(Cl)ccc1C2	20047	XZJGQWAIMNQWOZ-VIFPVBQESA-N	246.741	3.060	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C[C@@]2(C)CCC1)OC(=O)[C@@H]3C	5409652	WCKUJGKZDWKKKF-REJLFOLJSA-N	234.339	3.465	0	1	BGAF	biogenic
C1=CC[C@@H](c2ccc3ccccc3c2)CNC1	95585745	APQGMQHBIOJWDO-MRXNPFEDSA-N	223.319	3.473	0	1	BGAF	
Cc1cc(C)c2[nH]c([C@](C)(O)C(C)C)nc2c1	586892826	XEPIBELZPDQCDX-CQSZACIVSA-N	232.327	3.043	0	1	BGAF	
CCCC[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403171	KNTDIIBEEOZHGL-OAHLLOKOSA-N	247.338	3.491	0	1	BGAF	
CCCC/C=C/c1nc2cncc(C)c2[nH]1	587964876	DNFRJGIWMNHXFU-VOTSOKGWSA-N	215.300	3.470	0	1	BGAF	
Cc1cc2c(c3c1CC(=O)N3)[C@@H](C)C[C@@H]2C	2356400464	AAQZKECTNJZCJP-CBAPKCEASA-N	215.296	3.100	0	1	BGAF	
C[C@@H]1CC[C@@]2(C)CC[C@H]3C[C@@]2(OC3(C)C)[C@@H]1O	2356769531	HHKGADPXFMXMQZ-FMKNKJFCSA-N	238.371	3.131	0	1	BGAF	
CN1CC=C(c2ccccc2)C(C)(C)C1	5762363	FRQIZPUNOPRQQK-UHFFFAOYSA-N	201.313	3.042	0	1	BGAF	
CC(C)[C@@H]1Cc2nc3ccccc3c(N)c2C1	45321689	CDFLZOARMJGEQE-JTQLQIEISA-N	226.323	3.188	0	1	BGAF	
O=C(/C=C/c1ccccc1)N/C=C\c1ccccc1	85995604	DAZFHZLCFLDNPG-WCYNZMGESA-N	249.313	3.487	0	1	BGAF	endogenous,in-man
Fc1ccc(C2=NO[C@@H]3CCCC[C@H]23)cc1	95574330	LFJGEUMJTYAGAH-NWDGAFQWSA-N	219.259	3.119	0	1	BGAF	
CCCCc1c[nH]n2c(=O)c3ccccc3cc12	105577016	KDCMAABJEFHCHD-UHFFFAOYSA-N	240.306	3.123	0	1	BGAF	
Cc1c(F)ccc2nc(C(C)(C)Cl)[nH]c12	587009111	VQBVQOAMQFPNPZ-UHFFFAOYSA-N	226.682	3.484	0	1	BGAF	
CCCC/C=C\c1nc2ccc(C(=O)O)cc2[nH]1	587964896	DXEOGFLEVOGVLE-WAYWQWQTSA-N	244.294	3.465	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)N)C1(C)C	2356408617	LBMJBUMOPKGEDQ-SAAVVOQKSA-N	221.388	3.432	0	1	BGAF	
CC(=CCC[C@@H](C)[C@]1(O)CC=C(C)CC1)CO	2356688738	KNGVJRHBQKQKMD-CABCVRRESA-N	238.371	3.203	0	1	BGAF	
CC1=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@H]2C(O)=C1	2356756797	PPFMQQOEBRCEBH-UBHSHLNASA-N	248.322	3.292	0	1	BGAF	
CC1=C[C@]23OC(=O)[C@H](C)[C@@H]2CC[C@H](C)[C@@H]3CC1	14918792	SXDUGGRDNCRRHY-WHRXGGIHSA-N	234.339	3.321	0	1	BGAF	biogenic
CC(C)C[C@]1(C)CC(=O)c2ccc(O)cc2O1	27552062	LCMCTWRBENGILA-CQSZACIVSA-N	234.295	3.162	0	1	BGAF	
C[C@@H]1C(=O)Oc2cc(-c3ccccc3)ccc21	29247962	BGRPXIUQRHVNHM-JTQLQIEISA-N	224.259	3.376	0	1	BGAF	
Cc1ccc(C(=O)n2ncc3ccccc32)cc1	95771536	BYBRYMJUSKODNW-UHFFFAOYSA-N	236.274	3.033	0	1	BGAF	
FC1(F)CCc2nc3cccc4c3c(c2C1)CC4	587210307	NTJNNHAYKLYNJN-UHFFFAOYSA-N	245.272	3.457	0	1	BGAF	
Fc1ccc(-c2csc([C@H]3CCOC3)n2)cc1	587923193	UHEYVORECBKZGB-JTQLQIEISA-N	249.310	3.453	0	1	BGAF	
CCCCC[C@H](CC=CCCC(=O)O)OC	2356432717	KBMNVOKQUUZFOO-GFCCVEGCSA-N	228.332	3.393	0	1	BGAF	
CCCCC(Br)=CC(=O)OCC	2356663468	HPQFTDIJKZJGDY-UHFFFAOYSA-N	235.121	3.019	0	1	BGAF	
CCCN(CCC)[C@@H]1Cc2ccccc2[C@H](O)C1	26577839	NYBWBNYARFYGIA-GDBMZVCRSA-N	247.382	3.157	0	1	BGAF	
CN(C)C12C[C@H]3CC(C[C@H](C1)c1ccccc13)O2	101932561	VUDJTOTXQRDULX-LFOFOYIVSA-N	243.350	3.098	0	1	BGAF	
CC1=C2C=CC[C@]2(C)C[C@H]2[C@H](C)C(=O)O[C@@H]2C1	2356430996	YRBWMPVNAOADAX-HTTKSJEASA-N	232.323	3.241	0	1	BGAF	
CN1CCc2ccc3c4c2[C@H]1C[C@H]1C=CC=C(C3)[C@H]41	36248154	QVBLTVPWLCQXFO-BMFZPTHFSA-N	249.357	3.371	0	1	BGAF	
Cc1cc2nc(CC3CC3)[nH]c2cc1Cl	587960039	VEPLNTKSHMTPNJ-UHFFFAOYSA-N	220.703	3.477	0	1	BGAF	
Clc1ccc([C@H]2NN=C3CCC[C@H]32)cc1	1857606037	OVHBUURKUDQFKD-ZYHUDNBSSA-N	220.703	3.140	0	1	BGAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@@H]1O	169296212	KSMZUKWIDPCGBS-CUZKYEQNSA-N	238.371	3.131	0	3	BGAF	in-vitro
Fc1ccc(N2N=NC[C@H]2c2ccncc2)cc1	26165420	PMQDTQNGTICGAV-ZDUSSCGKSA-N	242.257	3.149	0	1	BGAF	
Cc1cccc(C(=O)[C@@H](C)N2CCCCC2)c1	45339572	VMEDIUSDIYRUSA-CYBMUJFWSA-N	231.339	3.052	0	1	BGAF	in-vivo
CN(C)C12C[C@@H]3CC(C[C@H](C3)C1)C2(C)C	103023438	KQUHHGWKYAPVIY-PZFKGIAWSA-N	207.361	3.153	0	1	BGAF	
CC(C)[C@@]12CC[C@](C)(O1)[C@H]1C(=O)C[C@@H](C)[C@H]1C2	104369952	CSLBUZGPLRECOR-YXRJLALLSA-N	236.355	3.195	0	1	BGAF	in-man
CC1=C2C[C@@]3(C)[C@@H](CCC[C@H]3C)C[C@@H]2OC1=O	257375120	AEQDXSFIHGWHDV-WRPZCXLFSA-N	234.339	3.465	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2cccc(O)c2[nH]1	586885709	AAYJXZKIEKIJSA-AMIZOPFISA-N	216.284	3.172	0	1	BGAF	
CCCC/C=C\c1nc2cc(C)cnc2[nH]1	587966132	SEPSFFNDUYSSLV-SREVYHEPSA-N	215.300	3.470	0	1	BGAF	
CC1=C/C(=C2/[C@H](C)CC[C@@H]2C(C)C)OC1=O	1911578082	ZWHNOXXXHSMWIW-YKYPZQJLSA-N	220.312	3.446	0	1	BGAF	
CCCCC=CC=CC=C[C@@H]1CC[C@H](O)[C@@H](C)N1	2356586113	LSCWHIBYDGDOLC-OAGGEKHMSA-N	249.398	3.347	0	1	BGAF	
Oc1cc2c(cc1Sc1ccccc1)OCC2	25972324	MWFNSWRXQDPKQQ-UHFFFAOYSA-N	244.315	3.478	0	1	BGAF	
CC[C@@H](C(C)=O)c1cc2c3c(cccc3n1)CC2	587213383	HTWMEERXNFOPCF-ZDUSSCGKSA-N	239.318	3.416	0	1	BGAF	
c1ccc2c(c1)O[C@@]13CCCC[C@H]1[C@@H]2NCC3	4550725	KCYFTAPCHLTSLC-NWANDNLSSA-N	229.323	3.042	0	1	BGAF	
CCOc1ccc2c(c1)[nH]c1c(C)nccc12	13587090	KDMPNKKDSIRRRQ-UHFFFAOYSA-N	226.279	3.423	0	1	BGAF	
Cc1ccc2c(c1)CN(c1ccccc1)CO2	36421141	FAZSUTSEDYMIBG-UHFFFAOYSA-N	225.291	3.352	0	1	BGAF	
C[C@@]1(CC(=O)O)CCCc2c1[nH]c1ccccc21	39202914	MGJONKDZWRHICT-HNNXBMFYSA-N	243.306	3.237	0	1	BGAF	
Cc1c(C)c2ccc3occ(C)c3c2oc1=O	49034025	VUJLCSIVBLQJDL-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
CCCN1CCC(n2cnc3ccccc32)CC1	95562477	RDQYVBCOPLECDP-UHFFFAOYSA-N	243.354	3.083	0	1	BGAF	
S=C1N=C2CCCC[C@@H]2[C@@H](c2ccccc2)N1	169726109	SXPHPUNQEIAONC-WCQYABFASA-N	244.363	3.247	0	1	BGAF	
Cc1ccc2nc(CCOCC3CC3)[nH]c2c1C	587782942	AVLZTZHDQFSLBB-UHFFFAOYSA-N	244.338	3.149	0	1	BGAF	
Cc1cncc2nc([C@@H]3CC=CC[C@H]3C)[nH]c12	587967321	NGRRTAFFBGDGCA-MWLCHTKSSA-N	227.311	3.336	0	1	BGAF	
Cc1cc(O)ccc1-c1cccc(C(N)=S)c1	1857580764	HLSVBNLYGLBHJB-UHFFFAOYSA-N	243.331	3.002	0	1	BGAF	
CSC[C@H]1CC(c2ccc(Cl)cc2)=NO1	6425245	NQLPWGPUJVRTJS-SNVBAGLBSA-N	241.743	3.196	0	1	BGAF	
N[C@@H]1C[C@H]2C[C@@H]1c1ccc(C(F)(F)F)cc12	26281812	YVQIQERXVFKDDA-DIMCTHFVSA-N	227.229	3.007	0	1	BGAF	
C[C@@]12c3ccccc3C[C@@H](c3ccccc31)N2O	27892219	SOZAUWGJIRNSOQ-JKSUJKDBSA-N	237.302	3.252	0	1	BGAF	
C[C@@H]1CCC[C@]2(O)[C@H]1[C@H]1CC[C@@]2(C)OC1(C)C	2356713429	IMOIQZWBHGLKFZ-FWZIUSJTSA-N	238.371	3.131	0	1	BGAF	
CCO[C]1C(C)=CC(=C2NC=CC=C2O)C=C1C	2356845674	TVKQVVZMXQFWOA-UHFFFAOYSA-N	244.314	3.274	0	1	BGAF	
CCO[P@]1(=O)C=CC(Cl)=C(C)C1	1625784	XPXVVCIKUBLFCQ-GFCCVEGCSA-N	206.609	3.341	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@]1(O)CCC(C)=CC1=O	5662806	QCLWFRYXYGDIEZ-DZGCQCFKSA-N	236.355	3.409	0	1	BGAF	biogenic
Oc1cccc(/C=C/c2cc(O)c(F)c(O)c2)c1	72116365	JFJPGQJVTRZAAU-SNAWJCMRSA-N	246.237	3.113	0	1	BGAF	
Cc1n[nH]c2cncc(NC3CCCCC3)c12	144504355	RULPWVJAZIXJSQ-UHFFFAOYSA-N	230.315	3.011	0	1	BGAF	
Cc1cccc2nc(C[C@@H]3CCC(=O)[C@@H]3C)[nH]c12	587961151	DIYITALHGIXTJQ-MNOVXSKESA-N	242.322	3.029	0	1	BGAF	
CC1=CC[C@H]([C@](C)(N)CC=CC(C)(C)O)CC1	2356377607	GFOFMQYXBNROPZ-DZGCQCFKSA-N	237.387	3.167	0	1	BGAF	
CC1=CC[C@@H]([C@H](C)CC=CC(C)(C)O)C(=O)C1	2356508637	LPCOTPYTCRTQIU-OLZOCXBDSA-N	236.355	3.265	0	1	BGAF	
Cc1c(C)c2c(c3c1C(=O)C(=O)N3)[C@@H](C)C[C@H]2C	2356790569	FSGQJQMRIIPDRW-RQJHMYQMSA-N	243.306	3.049	0	1	BGAF	
CC1=CN2[CH]C=CC=C2N1Cc1cccc(F)c1	2356821900	SSVJHMHUOUSHQC-UHFFFAOYSA-N	241.289	3.378	0	1	BGAF	
C[C@H]1CCC[P@](=O)(c2ccccc2)CC1	1613073	TVYJSCAQHHKNTM-SWLSCSKDSA-N	222.268	3.495	0	1	BGAF	
CSc1cc(O)c(SC)c(SC)c1O	3645991	PUTXYHAWWBIFFE-UHFFFAOYSA-N	248.394	3.264	0	1	BGAF	biogenic
c1ccc2oc([C@@H]3CN4CCC3CC4)cc2c1	13740325	DTDHZMMUUQJYIO-CYBMUJFWSA-N	227.307	3.242	0	1	BGAF	
CC(C)=C1C[C@@]23O[C@]1(O)CC(C)=C2CC[C@@H]3C	15160850	JWRBAZYQWTVQSD-TUKIKUTGSA-N	234.339	3.321	0	1	BGAF	biogenic,in-vitro
C=C=C[C@@H]1C[C@H]2Oc3cccc(CC)c3[C@H]2O1	2356794626	LHLMWKHMUMTEJD-KYOSRNDESA-N	228.291	3.181	0	1	BGAF	
CCOC(=O)[C@H]1CCCC1=Cc1ccccc1	2356830330	JGUKAETUJYGOPO-AWEZNQCLSA-N	230.307	3.433	0	1	BGAF	
O=C(c1ccccc1)c1onc2ccccc12	1569830	VUIXHVHTGHCQNG-UHFFFAOYSA-N	223.231	3.059	0	1	BGAF	
COc1cc2cc(OC)c(C)cc2cc1C	39169709	WFRVPOFDQITXAT-UHFFFAOYSA-N	216.280	3.474	0	1	BGAF	
CC1=CC[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CC(=O)[C@@H]3C(C)C	238743209	IOBJKMHAQYCWSZ-BFYSQQLMSA-N	218.340	3.450	0	1	BGAF	
c1cc2c3c(c([C@H]4CCCOC4)cnc3c1)CC2	587215174	CMUBMDDOHIHTEL-LBPRGKRZSA-N	239.318	3.227	0	1	BGAF	
Fc1ccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2c1	587967575	QEBCCXJBDNIZMB-IQJOONFLSA-N	228.270	3.382	0	1	BGAF	
CC=CCCCCC(=O)[C@@H](C)C(=O)n1cccc1	2356421502	MFOAMJSIPLCVDH-CYBMUJFWSA-N	247.338	3.470	0	1	BGAF	
CCCC[C@@H](c1ccccc1C)S(C)(=O)=O	230514837	VBRMUZDZDPPVMK-ZDUSSCGKSA-N	240.368	3.271	0	3	BGAF	
C=CC1=C(C)[C@@H]2C(=O)[C@H](C(C)C)C[C@H]2[C@@H](C)O1	14439958	IUUUJUZBSOKEIH-UHXUPSOCSA-N	234.339	3.343	0	1	BGAF	biogenic
CCCC(=O)N/N=C1\C[C@H]2CC[C@]1(C)C2(C)C	23529099	CMEKVVPIBNLJDH-GJZKNGNHSA-N	236.359	3.105	0	1	BGAF	
CCC[C@@]12CCN(C)[C@@H](Cc3ccc(O)cc31)C2	31392075	DCCDZLIMIHPDIQ-BBRMVZONSA-N	245.366	3.080	0	1	BGAF	
C[C@@H]1CC[C@@H](O)[C@@]23C[C@H]4[C@@H](C[C@@]12C)[C@@]4(C)C3	238772563	VMCKVEZJNIGBQQ-ZCXSAGNTSA-N	220.356	3.220	0	1	BGAF	
CC(C)[C@]12CC[C@@](C)(O1)[C@H]1C(=O)C[C@@H](C)[C@H]1C2	257399409	CSLBUZGPLRECOR-OKNSCYNVSA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
CC[C@@H]1OCCC[C@H]1c1nc2ccc(F)cc2[nH]1	586908719	CXJQAMHWKBJCTA-MFKMUULPSA-N	248.301	3.375	0	1	BGAF	
FC(F)(c1ccccn1)c1nc2ccccc2[nH]1	587089360	BPWVQKAUUHNYQH-UHFFFAOYSA-N	245.232	3.098	0	1	BGAF	
CC1=C[C@H](O)C[C@H](C)C=C[C@H](C(C)(C)O)CC1	2356475737	OILIIWQLXDSNNC-KWCYVHTRSA-N	238.371	3.057	0	1	BGAF	
CC1(C)O[C@@]2(C3CCCCC3)CC[C@H]1[C@H](N)C2	2356600191	CVIUKNANURGHTD-GUTXKFCHSA-N	237.387	3.242	0	1	BGAF	
N=C(N)c1ccc2[nH]c(Cc3ccccc3)cc2c1	3834160	RSJJRSWDMOGILH-UHFFFAOYSA-N	249.317	3.043	0	1	BGAF	
CC1=CC[C@@H]([C@@]2(C)CC[C@H](O)C(C)(C)O2)CC1	5767275	WJHRAVIQWFQMKF-VNHYZAJKSA-N	238.371	3.441	0	1	BGAF	in-man
CC1=Cc2c(C)c(CCO)c(C)c(O)c2[C@@H]1C	15258222	IJEGRKIUFWRYIL-SECBINFHSA-N	232.323	3.064	0	1	BGAF	biogenic
CCCNCCCc1c[nH]c2ccc(F)cc12	66258843	DEEFEXAYMWHFED-UHFFFAOYSA-N	234.318	3.239	0	1	BGAF	
CSc1ccc(-c2nc3cc[nH]cc-3n2)cc1	100972787	KNZMZIQTWUECPK-UHFFFAOYSA-N	241.319	3.298	0	1	BGAF	
C[C@H]1[C@H]2CCC[C@@]1(c1cccc(O)c1)[C@@H](C)N2C	169317644	CFFHIFVCBLNHRE-OJDYBEQGSA-N	245.366	3.153	0	1	BGAF	
C/C1=C/[C@@H](O)C(C)(C)CCC/C(C)=C/C[C@H]1O	169484016	GYUGUGKADPBAJH-BYHKDDCYSA-N	238.371	3.201	0	1	BGAF	
CCCCC[C@@H](C)[C@@]1(C)SC(=O)[C@@H](C)C1=O	169719217	PAEKPHDFBYRRMM-GBIKHYSHSA-N	242.384	3.440	0	1	BGAF	
Cc1c2c(nc3ccncc13)-c1c(N)cccc1C2	587210423	AYJVLAAUPQFUAK-UHFFFAOYSA-N	247.301	3.092	0	1	BGAF	
c1cc2c3c(cc(Cc4ccncc4)nc3c1)CC2	587213698	ZDDRHAMSLOEBEW-UHFFFAOYSA-N	246.313	3.319	0	1	BGAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@H]1O	100067588	KSMZUKWIDPCGBS-SIJPQNPESA-N	238.371	3.131	0	3	BGAF	in-vitro
Oc1ccc2c(c1)CC[C@H](Cc1ccncc1)C2	13736357	HOYYGGIWRKOTDQ-CYBMUJFWSA-N	239.318	3.135	0	1	BGAF	
Oc1ccc2cc(-c3ccncc3)cnc2c1	13738182	NYQMESYHKIIFEI-UHFFFAOYSA-N	222.247	3.002	0	1	BGAF	in-vivo
c1ccc2c3c([nH]c2c1)CC[C@@H](N1CCCC1)C3	39213998	LOEZCSXETJMUNC-GFCCVEGCSA-N	240.350	3.121	0	1	BGAF	
NC(=O)c1cccc2cc(-c3ccccc3)cnc12	40835520	DFGJDJRADWQKAW-UHFFFAOYSA-N	248.285	3.001	0	1	BGAF	in-vivo
Clc1cccc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)c1	101387144	CEJARUPLPSANRD-PTEHBNRSSA-N	237.730	3.002	0	1	BGAF	
CC(/C=C/C[C@@]12CC(=O)O[C@@H]1O2)=C\C=C\C(C)C	34613985	BEGRCIAYFKRHRI-VALDHQJDSA-N	248.322	3.133	0	1	BGAF	
CC1=C2[C@H](/C=C(\C)C(N)=O)CC[C@@H](C)[C@H]2CC1	78938991	CQHOIXZTIWRKEB-SUKRRCERSA-N	233.355	3.191	0	1	BGAF	in-vitro
CC[C@H](C)C1S[C@H](C)N[C@@H](C)S1	100828985	BLDFHTPIEUHZJY-XLPZGREQSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
CCCCCN[C@@H]1CCc2c(O)cccc2C1	169327994	FFEITZIVTGGUIF-CYBMUJFWSA-N	233.355	3.029	0	1	BGAF	
CC1(C)C=C2CCc3cocc3[C@@H](O)[C@H]2C1	2356631426	BXLFBSFFOFGUKV-AAEUAGOBSA-N	218.296	3.232	0	1	BGAF	
COc1ccc(OC)c([C@H]2OCCC=C[C@H]2C)c1	7992238	KKNQIKFFKQJXFR-ABAIWWIYSA-N	248.322	3.358	0	1	BGAF	
C[C@@H]1CCC(=O)[C@]2(C)C[C@@H]2CC(C)(C)CC1=O	13376884	KNPZDKSAZHSFTN-JRPNMDOOSA-N	236.355	3.387	0	1	BGAF	biogenic
C[C@@H]1CC=C2C3=C1C(=O)OC[C@]3(C)CC2(C)C	13378835	PCEVLQFNPPWJEB-PSLIRLAXSA-N	232.323	3.242	0	1	BGAF	biogenic
CC(=O)CC[C@@H]1Cc2c(ccnc2C)C1(C)C	14688572	RNURUJBYBMGADV-GFCCVEGCSA-N	231.339	3.209	0	1	BGAF	endogenous,in-man
C[C@H]1CC[C@]23[C@H](C)C(CO)=C[C@@]2(C)CC[C@H]13	32296169	GJNXTRPTZOVADS-PWRGDLIESA-N	220.356	3.387	0	1	BGAF	
Cc1cc(=O)[nH]c2c1cc(C)c1occ(C)c12	38417655	FHWUYIFUCDGXHO-UHFFFAOYSA-N	227.263	3.200	0	1	BGAF	
CSCC(C)(C)c1nc2c(C)nc(C)cc2[nH]1	586968390	CTFHMJBQBQYBHK-UHFFFAOYSA-N	249.383	3.215	0	1	BGAF	
CC1=CCC2=C(C)C(=O)O[C@H]2OCC(C)=CCC1	2356653347	CJMJPQQIHVKOOH-OAHLLOKOSA-N	248.322	3.279	0	1	BGAF	
c1ccc(N2[C@H]3CC[C@@H]2Cc2cnccc23)cc1	95567445	YOZCDUOTHCITAZ-ZBFHGGJFSA-N	236.318	3.348	0	3	BGAF	
CC(C)=CCC[C@@](C)(O)[C@H]1CC[C@@](C)(O)[C@H]1C	13429562	ZBJPVPFEDGYYBD-BYNSBNAKSA-N	240.387	3.281	0	1	BGAF	
CC(C)[C@@H]1CC[C@](C)(O)c2ccc(C(=O)O)cc21	14445121	WOURYSLHFFSMAH-NHYWBVRUSA-N	248.322	3.126	0	1	BGAF	biogenic
CCCC(CCC)C1=N[C@H]2C=CN=CC2=N1	72104226	KERJEVJVWARGMX-NSHDSACASA-N	217.316	3.023	0	1	BGAF	
CC1=CC[C@H]2[C@H]3[C@H](C(C)C)[C@@H](O)C[C@]2(C)[C@@H]13	100781025	BVCNHEVITXGCEP-LOVFCKMRSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
Oc1ccc2c(c1)[C@@H]1[C@@H](CC2)[C@H]1c1ccncc1	195242553	TVJLBISYUFEUTM-IMJJTQAJSA-N	237.302	3.231	0	1	BGAF	
Cc1c(F)ccc2nc([C@@H](O)CC(C)C)[nH]c12	586900169	AQAOEXXVSNVLCK-NSHDSACASA-N	236.290	3.090	0	1	BGAF	
C(=C\c1nc2cccnc2[nH]1)\c1ccsc1	587026490	UYHZGKYYDHCBKG-ARJAWSKDSA-N	227.292	3.190	0	1	BGAF	
CCN(CC)CCc1c(C)[nH]c2cc(F)ccc12	587636106	ZNSFONANRTYGPE-UHFFFAOYSA-N	248.345	3.500	0	1	BGAF	
CCC[C@H](c1nc2ccnc(O)c2[nH]1)C(C)C	587956206	OFJNTAHPGSOANE-VIFPVBQESA-N	233.315	3.203	0	1	BGAF	
Clc1ccc(C2=CCC[C@@H]3CC[C@@H]2N3)cn1	100025402	TVSNVPGPFGAKPT-PWSUYJOCSA-N	234.730	3.033	0	3	BGAF	in-vitro
C[C@]1(CC[C@H]2C=CCC2)CCCNC1=S	6442120	WPQSANCPQIMIMF-WCQYABFASA-N	223.385	3.450	0	1	BGAF	
c1ccc(C[C@H]2COC(c3ccsc3)=N2)cc1	14946221	HUHVJSXYULHZJW-ZDUSSCGKSA-N	243.331	3.136	0	1	BGAF	
CC1=C2C=C3[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O	85757290	CGVHAHMLYINLQL-JBCWJZNQSA-N	232.323	3.385	0	1	BGAF	
COc1cccc([C@@]2(C)CCCC[C@@H]2CN)c1	95618727	ZEXALIOABWHLJM-UKRRQHHQSA-N	233.355	3.102	0	1	BGAF	world
Cc1ccc(Oc2ncnc3[nH]ccc23)c(C)c1	169331065	PKZRSGFFUCINBW-UHFFFAOYSA-N	239.278	3.367	0	1	BGAF	
CCc1ccc2nc(CCOCC3CC3)[nH]c2c1	587783256	KQCPXAMDHGVNJO-UHFFFAOYSA-N	244.338	3.094	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@H](CCC[C@H]1C(=O)O)C2	2356665123	VCWWNXMTMQUZKV-IFUGULHKSA-N	248.322	3.194	0	1	BGAF	
CC(C)[C@@H]1CC[C@](C)(O)[C@@H]2CCC=C[C@H]12	2356665908	GIOSSFCGQAGYSG-DGAVXFQQSA-N	208.345	3.386	0	1	BGAF	
CC1=CN(CC(=O)c2ccc(Cl)cc2)[CH]C=C1	2356861863	PPFZCVFESJGYQH-UHFFFAOYSA-N	246.717	3.460	0	1	BGAF	
CC1(C)CCC[C@]23CO[C@@H]4OCC(=CC[C@@H]12)[C@@H]43	14586874	VPPKLPHBKTZWEF-ABHRYQDASA-N	234.339	3.132	0	1	BGAF	biogenic
CC1=C[C@H](O)[C@@H]2[C@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13	34485188	LTXWSWWXNHYXCW-GXYBRJDSSA-N	220.356	3.242	0	1	BGAF	
Fc1ccc([C@H]2CC(c3ccoc3)=NO2)cc1	66075079	OZXVNXPXRPGROX-CYBMUJFWSA-N	231.226	3.284	0	1	BGAF	
CC(C)[C@@H]1C[C@H]2[C@@]3(C)C[C@H](C[C@@H]1C3)[C@@]2(C)NC=O	101557352	ISXXOZIZRHXJKT-FOLNQXHWSA-N	249.398	3.219	0	1	BGAF	
CC(C)c1cc(F)c2cc(C(=O)O)[nH]c2c1	1772598302	DLWTYOOUDJQLKM-UHFFFAOYSA-N	221.231	3.129	0	1	BGAF	
CC1=CCC[C@@](C)(O)C=C[C@@H](C(C)(C)O)CC1	2356737024	LXGMYEYYXLQGAJ-DZGCQCFKSA-N	238.371	3.201	0	1	BGAF	
Oc1cccc2c1CC[C@@H](Nc1ccccc1)C2	28865311	HTWAXLQYMGVNQF-CQSZACIVSA-N	239.318	3.362	0	1	BGAF	
CCOc1cc(C)nc(-c2cccc(C)n2)c1	34413958	LFVCCQHULPCIBO-UHFFFAOYSA-N	228.295	3.159	0	1	BGAF	
Cc1ccc2c(c1)O[C@@H](c1ccco1)CC2=O	39041706	DWGADBXDFTUBIP-CQSZACIVSA-N	228.247	3.295	0	1	BGAF	
C[C@@H](c1ccsc1)c1ccc(O)cc1O	147019686	KTLHIVVOBPWRRH-QMMMGPOBSA-N	220.293	3.311	0	1	BGAF	
CC(=S)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	299884140	SOCGROLMYUCUSI-CSYMLDBXSA-N	210.342	3.175	0	1	BGAF	
COc1cc2oc3c(c2cc1O)CCCC3	5127233	CLQKQRWKGILUNZ-UHFFFAOYSA-N	218.252	3.026	0	1	BGAF	
CCCN(CCC)[C@H]1Cc2ccc(C)c(O)c2C1	26168946	BOVBMVWQNTYQCH-AWEZNQCLSA-N	247.382	3.290	0	1	BGAF	
c1ccc2cc(OCN3CCCC3)ccc2c1	26666124	KCGGEKRUKVVWNI-UHFFFAOYSA-N	227.307	3.272	0	1	BGAF	
Cc1ccc(-c2ccccc2-c2cn[nH]n2)cc1	73244774	ACKDPCGYJPVFKO-UHFFFAOYSA-N	235.290	3.447	0	1	BGAF	
C[C@]12N[C@@H](Cc3ccccc31)[C@H]1CCCC[C@@H]12	100659816	COGPALBKCNFTGA-TUUVXOQKSA-N	227.351	3.236	0	1	BGAF	
CC[C@H]1N(C)[C@H]2CCC[C@@]1(c1cccc(O)c1)C2	137957356	LVUQZQSYCFIWQF-IMJJTQAJSA-N	245.366	3.297	0	1	BGAF	
C[C@H](C(=O)O)[C@H]1CC[C@]2(C)[C@H]3C[C@@H]4[C@H]([C@@H]13)[C@@]42C	238768141	KNVWMYZTGDUOHT-AKCFMRQHSA-N	234.339	3.025	0	1	BGAF	
C/C=C/C=C\C=C1\C=C[C@@]2(CCCCO2)O1	238778554	TYODKWRJEBJDRL-JPCRCVGDSA-N	218.296	3.486	0	1	BGAF	
CC[C@H](C)c1nc2cncc(Cl)c2[nH]1	587955388	IKDUXOGKIZTKDD-LURJTMIESA-N	209.680	3.125	0	1	BGAF	
CCCC(=O)C[C@H](C)[C@@H]1C=C[C@@](C)(O)CC1	2356846908	ORURTTPKMLIRJU-OUCADQQQSA-N	224.344	3.099	0	1	BGAF	
Cc1cc(C)c2c(c1)[C@@H](c1c[nH]cn1)CCC2	13765310	LHLGOGBLIMSQJG-ZDUSSCGKSA-N	226.323	3.495	0	1	BGAF	
Cc1ccc(C(C)(C)O)cc2c(C=O)ccc1-2	14454057	KFKGAXNLWYAHMT-UHFFFAOYSA-N	228.291	3.140	0	1	BGAF	biogenic
CC1=CC=C[C@@]2(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	15207999	MUUFCNJBWLIDFJ-YDHLFZDLSA-N	230.307	3.161	0	1	BGAF	
CCCCCOc1cccc2oc(=O)ccc12	40975256	ZJVMVRSQIDBDKD-UHFFFAOYSA-N	232.279	3.362	0	1	BGAF	
c1ccc(C[N@@]2C[C@H]2c2ccccc2)cc1	1857769436	DFFUVKYEPUBJTB-HOTGVXAUSA-N	209.292	3.244	0	1	BGAF	
N=C(/C=C/c1ccccc1)NCc1ccccc1	13487814	HEXBAJSBFNYKJO-VAWYXSNFSA-N	236.318	3.467	0	1	BGAF	
C/C1=C/CC(=O)[C@@H](C)CC[C@H](C(C)(C)O)CC1	14453727	DWMJDYZSFOSGLA-BLJGWETHSA-N	238.371	3.489	0	1	BGAF	endogenous,in-man
CC(C)S[C@H]1C[C@H]2[C@@H](C[C@@]1(C)O)C2(C)C	16035978	XSMMJHSZJXWLBE-SRRSOLGSSA-N	228.401	3.314	0	1	BGAF	
Cc1ccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c2n1	587967525	PHMLJOJYIFAGGB-MWLCHTKSSA-N	227.311	3.336	0	1	BGAF	
Fc1cccc(Nc2noc3cccnc23)c1	166966485	AUDNYCYOYQBLEH-UHFFFAOYSA-N	229.214	3.106	0	3	BGAF	
CC(C)=CCC[C@@H](C)[C@H]1CC=C(C)[C@@H](O)[C@H]1O	33951447	SDAWXTDBEYZMMX-NGFQHRJXSA-N	238.371	3.057	0	1	BGAF	
Cc1cc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2cc1F	586917505	RAOSWRQPFVECGX-SDBXPKJASA-N	248.301	3.498	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3COC(=O)[C@H]3C=C[C@H]12	2356713528	LWPYNNASMDSKKZ-FUTJPDQTSA-N	234.339	3.178	0	1	BGAF	
CC[C@H](CC(=O)c1ccc(C)cc1)N1CCCC1	13682167	CCCKABNBMAAFTD-OAHLLOKOSA-N	245.366	3.442	0	1	BGAF	
CCC[C@H]1[C@@H]2c3ccccc3C[C@]12c1c[nH]cn1	38327733	PRXCUMHAHRIDJF-CWRNSKLLSA-N	238.334	3.417	0	1	BGAF	
Cc1ccc2c(c1)C(=O)C[C@H](c1ccco1)O2	103174861	BZZVINBSKOEOGS-CQSZACIVSA-N	228.247	3.295	0	1	BGAF	
C[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](CC[C@@]2(C)NC=O)C1(C)C	238761560	KDRPIAGOHIYGEH-QUPHKUTMSA-N	249.398	3.219	0	1	BGAF	
CCCC[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587403908	ADCAHJVDCJGFRZ-SNVBAGLBSA-N	233.311	3.101	0	1	BGAF	
O=C(Nc1nccs1)[C@H]1[C@@H]2/C=C/CCCC[C@@H]21	2883334	QVRUJMJSJXRQQT-WVEIRJHGSA-N	248.351	3.074	0	1	BGAF	
Oc1ccc([C@@H]2CCc3cc(O)ccc3O2)cc1	14972393	PULOCCRMJJNDDU-AWEZNQCLSA-N	242.274	3.164	0	1	BGAF	
C[C@@H](C(=O)c1ccccc1)c1cccnc1	29489584	NFHIPZYAYZPXJE-LLVKDONJSA-N	211.264	3.068	0	1	BGAF	in-vivo
O[C@@H]1Cc2ccccc2N[C@H](c2ccccc2)C1	53313491	MXAMSUMHFVNGPE-ZBFHGGJFSA-N	239.318	3.147	0	1	BGAF	
C[C@H]1Nc2cccnc2[C@H]2c3ccccc3C[C@@H]12	139468556	HCEYKVUOGKQEMT-DGFSRKRXSA-N	236.318	3.200	0	1	BGAF	
c1ccc(CCCCCN2CCCC2)cc1	13736080	MMRLVNIMSBPBEB-UHFFFAOYSA-N	217.356	3.495	0	1	BGAF	
C[C@]12N[C@](C)(Cc3ccccc31)c1ccccc12	28756909	UEBMWQOOTCTCCC-SJORKVTESA-N	235.330	3.325	0	1	BGAF	
CC[C@H](Cc1ccc(SC)cc1)NC1CC1	49113811	WWIGSCWWTFIJCJ-GFCCVEGCSA-N	235.396	3.482	0	1	BGAF	in-vivo
Fc1cccc(C2=NOCc3ccccc32)c1	103184737	WBYOPVMUUKFMPU-UHFFFAOYSA-N	227.238	3.108	0	1	BGAF	
COC(=O)/C=C/c1ccccc1OCC=C(C)C	103299928	FWVKVDSMLVTGED-CMDGGOBGSA-N	246.306	3.218	0	1	BGAF	
CC1=CC[C@H]2[C@H]3[C@@H](C(C)C)[C@@H](O)C[C@@]2(C)[C@H]13	104371030	BVCNHEVITXGCEP-GXYBRJDSSA-N	220.356	3.242	0	1	BGAF	in-man
Cc1ccc(C)c2[nH]c(COC(F)(F)F)nc12	587126139	VXYDUDUSVHTGDS-UHFFFAOYSA-N	244.216	3.216	0	1	BGAF	
OC1(c2cc3c4c(cccc4n2)CC3)CCCC1	587215412	HNNARCRIKNZDMS-UHFFFAOYSA-N	239.318	3.095	0	1	BGAF	
CC(C)(O)[C@H]1CC[C@]2(C)CCCC(CO)=C2C1	2356404643	STQLSAZYTMFDFX-WFASDCNBSA-N	238.371	3.037	0	1	BGAF	
CCC[C@@H]1C[C@H]2CCc3[nH]c(=N)nc(c32)[C@H]1CC	2356444601	APJOEHJDQUQJLP-MXWKQRLJSA-N	245.370	3.233	0	1	BGAF	
O=C1N[C@@H]2CCCCC[C@@H]2C12CCCCC2	1619818	PABSYTWLIILZFU-NWDGAFQWSA-N	221.344	3.016	0	1	BGAF	
CC(C)=CC[C@H]1CC(=O)c2ccccc2[C@H]1O	14558239	LBJSSKOQMCUURJ-NHYWBVRUSA-N	230.307	3.279	0	1	BGAF	biogenic
Cc1cc(O)cc(C)c1-c1ccc(CO)cc1	29463726	DMLWQHSEPHFTDD-UHFFFAOYSA-N	228.291	3.168	0	1	BGAF	
CCCC/C=C/c1nc2ccc(O)cc2[nH]1	587966235	TVPSLLNBQNGBBD-AATRIKPKSA-N	216.284	3.472	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2ccc(O)cc2[nH]1	587966369	DQEOFVVCIAMTAZ-MWLCHTKSSA-N	228.295	3.338	0	1	BGAF	
COc1cc(Cl)c(Cl)cc1[C@H]1C[C@H]1CN	653707720	IZWSHCTXJOWBOY-BQBZGAKWSA-N	246.137	3.064	0	1	BGAF	
CO[C@@]1(C)Cc2ccc(CC(C)C)c(O)c21	1857644098	MNPJJEYUXUZAQF-AWEZNQCLSA-N	220.312	3.008	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@H]([C@@H]3[C@H]1CC[C@@]3(C)O)C2(C)C	2356542966	HEONDCYMGTYQCB-RGOPTCMMSA-N	222.372	3.466	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@H](C)CCC(=O)[C@@H]2C[C@H]1O	2356802984	WPOHFKODZHGIEO-CYHVGBIXSA-N	238.371	3.035	0	1	BGAF	
c1ccc(Nc2ncc3ccccc3n2)cc1	39223750	AHLKSOXEVRYIRD-UHFFFAOYSA-N	221.263	3.373	0	1	BGAF	
Cc1[nH]nc2c1CCC[C@H]1c3ccccc3N[C@@H]21	40891956	PWTTWLQRFVOJIZ-GXTWGEPZSA-N	239.322	3.305	0	1	BGAF	
[C-]#[N+]c1ccc(-c2ccc(C(=O)O)o2)cc1	101243176	QQZMWUPTLWCRLN-UHFFFAOYSA-N	213.192	3.196	0	1	BGAF	
CCNC[C@H]1CCc2ccc3ccccc3c2O1	169333265	CEZHTUJICQBKCV-CQSZACIVSA-N	241.334	3.143	0	1	BGAF	
Oc1cccc(-c2nc3ccc(O)cc3s2)c1	13601099	ZZSNWDPLAJTAIP-UHFFFAOYSA-N	243.287	3.375	0	1	BGAF	
CN(C)C12C[C@@H]3CC(C[C@H](C1)c1ccccc13)O2	45338131	VUDJTOTXQRDULX-ZAQWFSBCSA-N	243.350	3.098	0	1	BGAF	
c1cn(CCCCCCCCn2ccnc2)cn1	73170234	DURQQOFBFVKYOE-UHFFFAOYSA-N	246.358	3.120	0	1	BGAF	
CCCNc1cccc2cc(C)c(O)nc12	473133712	BUFBVKZLQYYFRK-UHFFFAOYSA-N	216.284	3.071	0	1	BGAF	
CC(C)(Cl)c1nc2cc(Cl)ncc2[nH]1	587009223	YAFZGHPFNQPEAY-UHFFFAOYSA-N	230.098	3.085	0	1	BGAF	
Cc1c(-c2c[nH]ccc2=N)[nH]c2cccc(F)c12	587635042	CRBNVYREMFMJOC-UHFFFAOYSA-N	241.269	3.090	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@]2(C)N)C1(C)C	2356408615	LBMJBUMOPKGEDQ-BQVODAHPSA-N	221.388	3.432	0	1	BGAF	
CC1(C)C(=O)C[C@]23CCC[C@](C)(CC(=O)[C@@H]12)C3	5742259	IDXVGRTXFXYOCS-CFVMTHIKSA-N	234.339	3.141	0	1	BGAF	
COc1ccc2c(c1)CC[C@H]1CC(=O)CC[C@@H]21	29483240	BSMHBSGELIACIM-IINYFYTJSA-N	230.307	3.094	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C2	33771410	MHEQQQWHNMVBFL-ITDIGPHOSA-N	232.323	3.308	0	1	BGAF	endogenous,in-man
NO[C@@H](c1ccccc1)c1ccc(Cl)cc1	144556555	NYZMBXHTRUBGLF-ZDUSSCGKSA-N	233.698	3.320	0	1	BGAF	
c1cnc2[nH]cc(Cc3c[nH]c4ncccc34)c2c1	169610496	VJFBBBNMUHWQPP-UHFFFAOYSA-N	248.289	3.030	0	1	BGAF	
CC1=C[C@@]2(O)O[C@@]3(C[C@H]2C(C)C)[C@@H](C)CC[C@@H]13	169661135	QAADAFPZDLTNRZ-YYFQZIEXSA-N	236.355	3.112	0	1	BGAF	
Oc1ccc(-c2ccc3c[nH]nc3c2)c(F)c1	1857634908	MVPQRWWSAHMWGE-UHFFFAOYSA-N	228.226	3.075	0	1	BGAF	
CC(C)=CC(=O)N(C)/C=C/c1ccccc1	14765567	ZXXVSLVNOUPLEH-MDZDMXLPSA-N	215.296	3.082	0	1	BGAF	
Oc1cccc2c1C[C@@H](Nc1ccccc1)CC2	28865380	MQDNHMQEJVOJDO-AWEZNQCLSA-N	239.318	3.362	0	1	BGAF	
O=c1occcc1Cc1ccc2ccccc2c1	40503690	LHMJMSBDEIWEIZ-UHFFFAOYSA-N	236.270	3.384	0	1	BGAF	
C[C@@]12CC3CC(CCN)(C1)C[C@@](C)(C3)C2	100801947	DZBQIMQORVBIJQ-QPPOZKHWSA-N	207.361	3.332	0	1	BGAF	
O=C(O)CCC[C@@H]1C[C@H]2[C@H]1[C@H]1[C@H]2[C@@H]2[C@@H]3CC[C@@H]3[C@@H]12	102184799	ZDWWCRQXNJGGFF-DFQYMLKCSA-N	246.350	3.025	0	1	BGAF	
C[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](CC[C@@]2(C)O)C1(C)C	136905315	AYXPYQRXGNDJFU-XTXFXJEVSA-N	222.372	3.466	0	1	BGAF	
O=N/C=C1/C=CC=CN1Cc1ccsc1	212905933	NFVXTQHWVAOQQR-XFFZJAGNSA-N	218.281	3.241	0	1	BGAF	
Cc1cc2c(cc1O)C(CO)=CC[C@H]2C(C)C	214713539	HBKMLXLMYROAKE-LBPRGKRZSA-N	232.323	3.220	0	1	BGAF	
CC(C)[C@H](N)c1nc2ccc3c(c2[nH]1)CCCC3	587259547	VIJKJYFLAQPNPC-ZDUSSCGKSA-N	243.354	3.098	0	1	BGAF	
Fc1ccc2nc(C=C3CCC3)[nH]c2c1	587964520	AQBWAWRNHCRZBY-UHFFFAOYSA-N	202.232	3.269	0	1	BGAF	
OCC[C@H]1CCC[C@H](c2ccc(O)cc2)CC1	1857769920	ZOGLPNHOAMLKAP-STQMWFEESA-N	234.339	3.439	0	1	BGAF	
Cc1[nH]nc(O)c1Cc1ccc2ccccc2c1	8241	ICSRZPUZMDVAHH-UHFFFAOYSA-N	238.290	3.168	0	1	BGAF	
COc1cc(C)c(OC)c(OC)c1C(C)C	6069764	MAUVOSNIBLQEQI-UHFFFAOYSA-N	224.300	3.144	0	1	BGAF	
C[C@@H]1CC2=Nc3ccccc3N[C@H](C)C2=C(O)O1	101707757	OUEXIBYVSHYPPC-RKDXNWHRSA-N	244.294	3.152	0	1	BGAF	
CCCC[C@@H]1[C@@H](O)CCC[C@]12CCCCN2C	253637610	JQAAYMWQZFOCNY-QLFBSQMISA-N	239.403	3.192	0	1	BGAF	
C[C@H]1CCC=C(C(=O)O)[C@]12CC[C@@H](C)C2	2356579257	WDDHMVJSZRYGPI-NRUUGDAUSA-N	208.301	3.234	0	1	BGAF	
CCC=CC[C@H](CC)[C]1C=CN(C)C=C1C(=O)O	2356824392	GARKGNZODVUQDA-LBPRGKRZSA-N	248.346	3.371	0	1	BGAF	
C/C1=C/CC(=O)[C@@H](C)CC[C@@H](C(C)(C)O)CC1	14453725	DWMJDYZSFOSGLA-ISGXEFFDSA-N	238.371	3.489	0	1	BGAF	endogenous,in-man
N[C@H]1[C@H]2CC[C@H]1c1c(cccc1C(F)(F)F)C2	100698516	FNNWVHKNBUNHFU-AUTRQRHGSA-N	241.256	3.082	0	1	BGAF	
F[C@H]1C2=C(SC1(F)F)[C@H]1CC[C@H]2C1	105517134	BNWKOGOFYDNKHF-YQJDLUKNSA-N	206.232	3.348	0	1	BGAF	
CC(C)[C@@H]1CC[C@]2(C)[C@H]3CC=C(CO)[C@@H]2[C@@H]13	136785412	JIXPRNKLOIEGFI-BTFPBAQTSA-N	220.356	3.243	0	1	BGAF	
Cc1noc(C)c1C(=O)c1coc2ccccc12	587280599	LQLBMNKGRXVNJE-UHFFFAOYSA-N	241.246	3.269	0	1	BGAF	
CCn1cncc1-c1c[nH]c2cc(F)ccc12	1857611440	CHAJDPQKGNVBRW-UHFFFAOYSA-N	229.258	3.190	0	1	BGAF	
CCC=C(C)C=C(C)c1cc(=O)cc(OC)o1	2356468407	AGIVNPADRSOUNG-UHFFFAOYSA-N	234.295	3.408	0	1	BGAF	
c1ccc(-c2n[nH]cc2-c2ccncc2)cc1	1502385	VOXXNSOMSGHJJR-UHFFFAOYSA-N	221.263	3.139	0	1	BGAF	
CC1=C2c3occ(C)c3C(=O)C[C@@H](C)[C@@H]2CC1=O	15262427	CLAPLFAABVVYOH-XCBNKYQSSA-N	244.290	3.173	0	1	BGAF	biogenic
CCC1CCC(OC(=O)Cc2ccncc2)CC1	26827104	OXWFJOQWZXQYJJ-UHFFFAOYSA-N	247.338	3.136	0	1	BGAF	
COC(=O)C1=C(c2ccccc2)[C@H]2CC[C@H]1C2	101436495	GKWNAKMFUGNGOE-RYUDHWBXSA-N	228.291	3.043	0	1	BGAF	
O=C(CCCCCc1ccccc1)n1cccn1	299823806	AMSJDUARDZGBLS-UHFFFAOYSA-N	242.322	3.326	0	1	BGAF	
C=C1C(C(=O)O)=C[C@]2(C)CC[C@@H]3[C@H](C)CC[C@@]132	14708975	UVFNMUDXUUEMMB-QBXIECCESA-N	232.323	3.400	0	1	BGAF	biogenic
CCCN1CC[C@@H]2c3ccccc3CC[C@H]21	28756694	ANSBSVSYIULXCZ-HUUCEWRRSA-N	215.340	3.201	0	1	BGAF	
FC(F)(Cl)O[C@@](F)(Cl)C(F)(F)F	40828557	JCAPYDIZBNRKBL-PVQJCKRUSA-N	236.926	3.217	0	1	BGAF	
CC1(C)C[C@@H]2[C@H]1CC[C@@]13CC[C@@]21CC[C@H]3O	70455108	DFBIFSIVSFAGEV-FPVZYODXSA-N	220.356	3.364	0	1	BGAF	biogenic,in-vitro
CCO[P@@](=O)(NC(C)C)Oc1ccccc1	72126280	UPTJLZWJYVNMQD-INIZCTEOSA-N	243.243	3.208	0	1	BGAF	
CC[C@@H](NC(=O)c1ccc(OC)c(C)c1)C(C)C	114424142	KXXUKYJRQGOCON-CYBMUJFWSA-N	249.354	3.168	0	1	BGAF	
Cc1cncc2nc(-c3occ4c3CCC4)[nH]c12	586905683	YPAYWULFCQTNTL-UHFFFAOYSA-N	239.278	3.015	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)[C@H](C1)[C@@]1(C)CC[C@H]2O1	2356395255	NEAFXVXDYNEEDN-FMKNKJFCSA-N	238.371	3.131	0	1	BGAF	
CC1=CC=C[CH]N1Cc1cccc(F)c1	2356823556	VQZGHVHDFXNJBR-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
CC1=CS/C(=C(\N=O)c2csc(C)n2)N1	104012426	JNYUSNVANJQSEW-HJWRWDBZSA-N	239.325	3.042	0	3	BGAF	
Cc1cc(C)c2c(c1)[C@H](c1c[nH]cn1)CCC2	13765308	LHLGOGBLIMSQJG-CYBMUJFWSA-N	226.323	3.495	0	1	BGAF	
CC[C@H](C(C)=O)c1cc2c3c(cccc3n1)CC2	587213378	HTWMEERXNFOPCF-CYBMUJFWSA-N	239.318	3.416	0	1	BGAF	
Cc1cc(=O)oc2nc3scc(C)c3cc12	9294	ODBOZJPXHKDYDJ-UHFFFAOYSA-N	231.276	3.020	0	1	BGAF	
CC(C)/C=C1\C[C@H](c2ccccc2)N(C)C1=O	40916379	NBIXEUOXGKLBFX-KADHNRKRSA-N	229.323	3.172	0	1	BGAF	
CC1(c2cc3c4c(cccc4n2)CC3)CC1	587214671	WCYCPEWHPJYHIK-UHFFFAOYSA-N	209.292	3.385	0	1	BGAF	
CCc1c[n+](C)ccc1/C=C/c1ccccc1	26839201	YMXDUZJAXHUDHB-MDZDMXLPSA-N	224.327	3.244	0	1	BGAF	
CCCCOc1ccc(-n2cnnc2CC)cc1	28872093	DIIZFKKCMXVDQD-UHFFFAOYSA-N	245.326	3.009	0	1	BGAF	
Clc1ccc([C@@H]2CCc3nc[nH]c3C2)cc1	40875205	UPEUOWBPLHAKGL-SNVBAGLBSA-N	232.714	3.336	0	1	BGAF	
CCCCc1cc(-c2ccccc2)n(O)c(=O)c1	95559466	MAVGRPMDCIBTKF-UHFFFAOYSA-N	243.306	3.095	0	1	BGAF	
FC[C@@]12N[C@H](Cc3ccccc31)c1ccccc12	100649060	LGHXZBIPTSRPJL-HZPDHXFCSA-N	239.293	3.100	0	1	BGAF	
CO[C@@H]1CCCc2c1nc1cccc3c1c2CC3	587212975	DKJQLWFDUDWEMD-CQSZACIVSA-N	239.318	3.357	0	1	BGAF	
CC1=NN(C(=O)C(C)(C)C)[C@H](c2ccccc2)C1	1857596029	MDGXLMQZIPDPPH-ZDUSSCGKSA-N	244.338	3.382	0	1	BGAF	
CCC[C@@H](O)CC(=O)CCc1ccc(C)cc1	1911579618	ROFPXAINHUBFJD-CQSZACIVSA-N	234.339	3.048	0	1	BGAF	
CC(/C=C/C(=O)O)=C\[C@H](C)CCCC[C@H](C)O	15119735	YAJQQKPCPHMNKD-LWQAPFMZSA-N	240.343	3.151	0	1	BGAF	
Cc1ccc2c(c1)Oc1ccccc1[S@]2=O	26184547	VQVLXQAMBKJBPL-INIZCTEOSA-N	230.288	3.267	0	1	BGAF	
Cc1sc2nc3oc(=O)cc(C)c3cc2c1C	28252710	AIQCUKNOWJBOIV-UHFFFAOYSA-N	245.303	3.328	0	1	BGAF	
CC(C)[C@H](C)n1[nH]cc2nc(-c3ccoc3)nc1-2	103584842	CEVVGERJEUBAIO-VIFPVBQESA-N	244.298	3.188	0	1	BGAF	
Fc1cccc2nc(C=C3CCC3)[nH]c12	587965198	PIEGOXKJVOLUOY-UHFFFAOYSA-N	202.232	3.269	0	1	BGAF	
CC(C)[C@@H]1C[C@@H]2[C@]3(C[C@@H]4C[C@]42C)C[C@H]1OC3=O	2356784704	PTISNUDEVUCIFZ-HJFKDUGFSA-N	234.339	3.010	0	1	BGAF	
C1=C(c2cc3ccccc3o2)C2CCN1CC2	53151300	AYQKIBOBFAZBCX-UHFFFAOYSA-N	225.291	3.499	0	1	BGAF	
Cc1ccc(C)c(N/N=C/c2ccccc2O)c1	58674495	PUKSATUSCRQLEE-MHWRWJLKSA-N	240.306	3.455	0	1	BGAF	
CCC1=Cc2cc(OC)c(OC)cc2[C@@H]1N(C)C	169318022	DLGWJPIXRALJFC-OAHLLOKOSA-N	247.338	3.114	0	1	BGAF	
CC1=C2CC[C@H](C)[C@H]2C[C@H]2[C@@H](C1)OC(=O)[C@@H]2C	238739568	LGGWYHIMEGQREQ-UCVINUNTSA-N	234.339	3.321	0	1	BGAF	
Cc1ccc(-c2nc3cc(F)cnc3[nH]2)c(F)c1	587146390	KIAABOGCHLDORO-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
CCCc1c(COC)nc2cccc3c2c1CC3	587211738	KRMRQVAJXWVRLZ-UHFFFAOYSA-N	241.334	3.432	0	1	BGAF	
C[C@@H]1CC[C@H]2COC(=O)C2=C2CC(C)(C)C[C@H]21	14769144	BQADRYZOMNHMRC-VWYCJHECSA-N	234.339	3.322	0	1	BGAF	biogenic
c1nc([C@@H]2C[C@H]2CCNCC2CCCCC2)c[nH]1	34867322	NESASFDNMLPZIR-ZIAGYGMSSA-N	247.386	3.073	0	1	BGAF	
Cc1cccc(-c2cc(NCC3CC3)ncn2)c1	82161877	OQOFSBYJBHXVHS-UHFFFAOYSA-N	239.322	3.274	0	1	BGAF	
C[C@H]1CC[C@H]2C[C@@](C)(O)C[C@@H]3[C@H]([C@H]12)C3(C)C	238732813	NKIWRYQBASKLRK-DMWPXEFISA-N	222.372	3.466	0	1	BGAF	
FC1(c2nc3cccnc3[nH]2)CCCCC1	587131927	GGLXHJAHQXYMPB-UHFFFAOYSA-N	219.263	3.087	0	1	BGAF	
c1ccc(-n2cc3cnc(C4CC4)cc3n2)cc1	1857651967	LVPGLMFPDKTEMH-UHFFFAOYSA-N	235.290	3.298	0	1	BGAF	
Nc1ccc(-c2c(N)ncc3ccccc23)cc1	1557664	RHQIZEYRGRQHKC-UHFFFAOYSA-N	235.290	3.066	0	1	BGAF	
C[C@@H]1CC[C@@H]2c3c(c(C(=O)O)cc(O)c31)C[C@H]2C	14689190	MLNIJTRDXCDNQZ-HLTSFMKQSA-N	246.306	3.264	0	1	BGAF	biogenic
CC(=O)CC[C@H]1C(=O)[C@H](C(C)C)CC[C@@H]1C	34235773	HFYPDKJHTWHBIY-WCFLWFBJSA-N	224.344	3.243	0	1	BGAF	
Cc1ccccc1Nc1ccccc1CC(=O)O	43065638	DSVYFSJGCZCDMP-UHFFFAOYSA-N	241.290	3.366	0	1	BGAF	
CN1C[C@H]2C=C(c3cncc(Cl)c3)C[C@@H](C2)C1	101576968	KISYGAAWAUCCJZ-GHMZBOCLSA-N	248.757	3.090	0	1	BGAF	
CN1[C@H]2Cc3ccccc3[C@H]1c1ccccc12	299805866	PFFGUTFSPWUIOT-HOTGVXAUSA-N	221.303	3.319	0	1	BGAF	
CC(C)=CCC/C(C)=C/c1nc2ncc[nH]c-2n1	587969564	ZMPUDCFLSRTXRF-PKNBQFBNSA-N	242.326	3.454	0	1	BGAF	
NC[C@H]1[C@H]2CC[C@H](C2)[C@H]1c1cccc(Cl)c1	36177488	IRNIZNAXVXVLJU-PCGAWMICSA-N	235.758	3.428	0	1	BGAF	
Clc1ccc([C@H]2N=C[C@H]3C=CC=CN32)cc1	72136930	ZRMPSCAPZDJQTO-OLZOCXBDSA-N	230.698	3.177	0	1	BGAF	
Cc1cccc(C(=O)n2ncc3ccccc32)c1	72178482	DYPMUKMLCOBIHP-UHFFFAOYSA-N	236.274	3.033	0	1	BGAF	
Cc1ccc2nc([C@@H](O)CC(C)C)[nH]c2c1C	586902133	ZFGLRAPDUUAZLN-LBPRGKRZSA-N	232.327	3.259	0	1	BGAF	
Fc1ccccc1CCc1nc2ccccc2[nH]1	587148777	GVMSXCRFBGNSOQ-UHFFFAOYSA-N	240.281	3.487	0	1	BGAF	
CCC[C@H](C)/C=C/c1oc(=O)cc(OC)c1C	14658869	WVOBURFODMZGQW-JARNTUPDSA-N	236.311	3.406	0	1	BGAF	
C=C/C=C/CCCCCCC[C@@H](O)[C@H](C)N	34360983	PDPUNMLGRNINFK-OOPLNXAUSA-N	225.376	3.167	0	1	BGAF	
c1ccc(-c2c[nH]cn2)c(OCCC2CC2)c1	117615487	ACCSJWJGSNYDNP-UHFFFAOYSA-N	228.295	3.256	0	1	BGAF	
CN1C[C@H]2c3ccccc3[C@H]1[C@H]1CCC[C@H]12	195331879	SYUCGKZXQQTLMH-UNQGMJICSA-N	213.324	3.187	0	1	BGAF	
Cc1cccc(Nc2ncc3c(n2)CCCC3)c1	1857574816	IPZUHNOYKQXXBS-UHFFFAOYSA-N	239.322	3.407	0	1	BGAF	
CC1(C)O[C@@]2(C3CCCCC3)CC[C@H]1[C@@H](N)C2	2356600192	CVIUKNANURGHTD-YDHLFZDLSA-N	237.387	3.242	0	1	BGAF	
CN1CCc2cccc3c2[C@H]1Cc1ccccc1-3	2386800	BZKUYNBAFQJRDM-MRXNPFEDSA-N	235.330	3.439	0	1	BGAF	biogenic,in-vitro
CCC/C=C/C=C\C(=O)NCCc1ccccc1	14616370	NZEWIGFGWCJNAX-RBCGRJENSA-N	243.350	3.258	0	1	BGAF	
CC1=C2CC3=C(C)C(=O)O[C@@H]3C[C@H](C)[C@@H]2CC1	15264506	GJFWUKNHFPKSRX-NURSFMCSSA-N	232.323	3.385	0	1	BGAF	biogenic
CCC[C@H]1CCCN[C@@H](c2cccnc2)C1	28460068	WETURKIDZIDHTP-GXTWGEPZSA-N	218.344	3.313	0	1	BGAF	
CC(C)=CCC[C@]1(C)O[C@]2(C)CC[C@@H]1C[C@@H]2O	100826340	YXKYEDPZIRLAKN-CBBWQLFWSA-N	238.371	3.441	0	1	BGAF	endogenous,in-man
C/C(=C/c1nc2ncc[nH]c-2n1)C1CCCCC1	587967215	IRGLPNRZQXPLGO-KTKRTIGZSA-N	242.326	3.288	0	1	BGAF	
CCCC[C@H](O)CCCCCCCCO	14771648	FANTVKFLNSQKOX-ZDUSSCGKSA-N	216.365	3.261	0	1	BGAF	biogenic
Cc1c(-c2ccn(C)n2)[nH]c2cc(F)ccc12	587634900	BQDHHCGYADIGPO-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
CN1CC=C(C=Cc2c[nH]c3ccccc23)CC1	1857621575	HTQYQZKGLVDSLB-UHFFFAOYSA-N	238.334	3.443	0	1	BGAF	
C[C@@H]1CCC[C@@]23C[C@H]4[C@@H](C(=O)[C@@]12C)[C@@]4(C)C3	2356411510	RFMRPDNVGQZVJI-DHIIWHAXSA-N	218.340	3.428	0	1	BGAF	
CCN1C(Nc2ccccc2)=NC[C@@H]1CC(C)C	15924704	XGTILRVSTJGFDE-AWEZNQCLSA-N	245.370	3.205	0	3	BGAF	
CN(C)CCCCSc1ccccc1	96941614	RHAOAZOZDMCEAM-UHFFFAOYSA-N	209.358	3.121	0	1	BGAF	
CC1=CC[C@H]2[C@@H]3[C@H](C(C)C)[C@@H](O)C[C@]2(C)[C@@H]13	100781028	BVCNHEVITXGCEP-SAAWNECCSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
CC(C)NCc1ccc2c(c1)OC(C)(C)C=C2	103176116	DCRMMLNTHSNCGX-UHFFFAOYSA-N	231.339	3.369	0	1	BGAF	
C[C@@H]1CC[C@]2(N)[C@H](C)CC[C@@H]3[C@@H]([C@@H]12)C3(C)C	2356786203	ZKBVUQVTVPCLNT-BQVODAHPSA-N	221.388	3.432	0	1	BGAF	
C[C@H]1[C@H]2CNC[C@@]12c1ccc(Cl)c(Cl)c1	42887543	AYVHIUIIRXDSCH-VMAXQDLPSA-N	242.149	3.100	0	1	BGAF	
O=C1C=CC[C@@H](CC23CC4CC(CC(C4)C2)C3)O1	72124397	NYFDHNMBEAUPFG-IXUJDMMCSA-N	246.350	3.465	0	1	BGAF	
O=C(O)C[C@@]1(c2ccc(F)cc2)C[C@@H]2CC[C@@H]1C2	101450685	LLNOJCXJWAPFDE-IXPVHAAZSA-N	248.297	3.358	0	1	BGAF	
Cc1cncc2nc(/C=C/c3ccsc3)[nH]c12	587025671	MEOROBYLQDYXGK-NSCUHMNNSA-N	241.319	3.498	0	1	BGAF	
Cc1coc2c1[C@H]1OC(=O)[C@H]3CCC[C@@H](C2)[C@]31C	238765251	KTALFCIOJDCGJF-LHAYTIOMSA-N	246.306	3.165	0	1	BGAF	
Cc1[nH]c2ccc(F)c(Cl)c2c1N(C)C	587630022	DKGLCIZWGWKNCX-UHFFFAOYSA-N	226.682	3.335	0	1	BGAF	
CC1=C[C@H](O)[C@H](C(C)C)[C@H](O)CC(C)=CCC1	2356498195	MEXHQMBFSXHUEF-QLFBSQMISA-N	238.371	3.057	0	1	BGAF	
CC(C)C1=CC[C@](C)(O)[C@H]2CC=CC[C@H]12	2356713814	SLQVJCSGLGJRIG-RDBSUJKOSA-N	206.329	3.306	0	1	BGAF	
Cc1sc(C)c2c1CCCc1c[nH]nc1-2	8577	YZKGQHRABFMYLD-UHFFFAOYSA-N	218.325	3.244	0	1	BGAF	
CC1=C2CC3=C(C)C(=O)O[C@H]3C[C@H](C)[C@@H]2CC1	1650426	GJFWUKNHFPKSRX-CHIMOYNISA-N	232.323	3.385	0	1	BGAF	
CCSC1=N/C(=C\c2ccco2)C(Cl)=N1	5845198	HALVAOBVGRUDBD-VURMDHGXSA-N	240.715	3.381	0	1	BGAF	
COc1ccc2c(c1)CC[C@H]1CC(=O)CC[C@H]21	29483243	BSMHBSGELIACIM-HZMBPMFUSA-N	230.307	3.094	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@H]1CC=C(C)[C@@H](O)[C@H]1O	33951446	SDAWXTDBEYZMMX-MHEUCROKSA-N	238.371	3.057	0	1	BGAF	
Oc1ccc(-c2n[nH]cc2-c2ccccc2)cc1	78523275	RYNUCFRWRKDYTQ-UHFFFAOYSA-N	236.274	3.449	0	1	BGAF	
CC(C)[C@]12CC[C@@](C)(O1)[C@H]1C(=O)C[C@H](C)[C@@H]1C2	100780078	CSLBUZGPLRECOR-ULQWKZLWSA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
C[C@H]1CC2=Nc3ccccc3N[C@@H](C)C2=C(O)O1	101707770	OUEXIBYVSHYPPC-IUCAKERBSA-N	244.294	3.152	0	1	BGAF	
FC[C@@H](F)CCc1c[nH]c2ccccc12	473151233	OLFNURHNSVBTMV-JTQLQIEISA-N	209.239	3.408	0	1	BGAF	
CC1=C[C@@H](OCc2ccc(C(C)C)cc2)OC1=O	1857620196	FUNGIYOPIQTHGC-AWEZNQCLSA-N	246.306	3.156	0	1	BGAF	
OCc1cccc(-c2cc3ccccc3[nH]2)c1	40876563	XRIFXKSLSRZWNK-UHFFFAOYSA-N	223.275	3.327	0	1	BGAF	
O=c1ccc2ccc(-c3ccc(O)cc3)cc2o1	66102619	ZTBDIKXGRJOBIX-UHFFFAOYSA-N	238.242	3.166	0	1	BGAF	
CC(C)Nc1cc(-c2ccc(F)cc2)ncn1	82161073	WABVGQSKHZCHRE-UHFFFAOYSA-N	231.274	3.103	0	1	BGAF	
Cn1ccc(C(=O)c2cccc3ccccc23)c1	89456681	FUMPKTNHOGVVCC-UHFFFAOYSA-N	235.286	3.409	0	1	BGAF	
Cc1cc2nc(C3=COCC3)[nH]c2cc1Cl	586911947	BDGPPNSHURZLAT-UHFFFAOYSA-N	234.686	3.286	0	1	BGAF	
CCCCC=C1OC(=O)C2=C1CCC=C2	2356285700	HMAYXYFQOZZPEZ-UHFFFAOYSA-N	204.269	3.264	0	1	BGAF	
Cc1coc2c1C[C@@]1(C)[C@H](C)[C@@H](O)CC[C@@H]1C2	1704135	UIWPDJPOLFTUJI-ZSEWYUTFSA-N	234.339	3.100	0	1	BGAF	biogenic
Cc1cc(/C=C/c2cc(C)c(O)c(C)c2)on1	13819993	YEYACJDAWKVASX-SNAWJCMRSA-N	229.279	3.476	0	1	BGAF	
CC1=CC2=C(CC(C)(C)C2)C2=C(COC2=O)C1	14589241	RQMFRIGGRLUCMK-UHFFFAOYSA-N	230.307	3.306	0	1	BGAF	biogenic
CC1=CCC2=C(C)C[C@@H]3OC(=O)C(C)=C3C[C@H]12	15264861	KQBRXXMGSZOJLH-OCCSQVGLSA-N	230.307	3.305	0	1	BGAF	biogenic
Oc1ccc2c(/C=C/c3cccnc3)c[nH]c2c1	72105427	WMIXIAVLDYSDMY-ONEGZZNKSA-N	236.274	3.439	0	1	BGAF	
CC(C)[C@H]1C[C@]2(C)[C@@]3(C)CCC[C@]2(O)O[C@@H]1C3	214500191	UTNQUNGFEKWBQT-QMIVOQANSA-N	238.371	3.336	0	1	BGAF	
CC1(C)[C@@H]2[C@@H]3[C@@H](CCC[C@H]21)CC[C@]3(C)O	2356357331	RWCYAQCZBPFTTA-ZUDIRPEPSA-N	208.345	3.220	0	1	BGAF	
CC1=CC[C@H](O)[C@@H](C)C=C[C@@H](C(C)(C)O)CC1	2356561149	RBBWQOZTCXYKSH-IHRRRGAJSA-N	238.371	3.057	0	1	BGAF	
CC(C)=C[C@]1(O)C[C@@H](C)C[C@@H]1C(=O)c1ccoc1	13415118	DIKCWVMLDIFAOQ-LNSITVRQSA-N	248.322	3.206	0	1	BGAF	biogenic
CCc1c(C)nc(C)c(CO)c1-c1ccccc1	13437735	BZPZNELUSCYATL-UHFFFAOYSA-N	241.334	3.420	0	1	BGAF	
CC/C=C/C=C/C=C/C[C@H](OC)[C@H](C)NC	13451293	OZYMABBRNUUXQX-HCEQABHKSA-N	223.360	3.078	0	1	BGAF	
Cc1c(C)c2ccc3occc3c2oc1=O	34250398	WBERMSXOELNMLB-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
C=CC(=O)Nc1cccc([C@H](O)CCCC)c1	53313009	ASXSLHRXBAHATF-CYBMUJFWSA-N	233.311	3.035	0	1	BGAF	
CC(C)=CCOc1ccc2oc(=O)ccc2c1	84731993	RFWGKRIJHGAIAV-UHFFFAOYSA-N	230.263	3.138	0	1	BGAF	
C[C@@H]1CC=C2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	140118436	RMMXVRYYNCFLLS-DECHUDPFSA-N	220.356	3.386	0	1	BGAF	
C/C1=C\CC[C@@](C)(O)/C=C/[C@H](C(C)(C)O)CC1	145323718	LXGMYEYYXLQGAJ-VAMKGPAQSA-N	238.371	3.201	0	1	BGAF	
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)NC=O)C1(C)C	238780888	KDRPIAGOHIYGEH-YIXJMHAVSA-N	249.398	3.219	0	1	BGAF	
Cc1nccc2[nH]c(/C=C/c3ccsc3)nc12	587025103	GPTSIAXZASOSIX-NSCUHMNNSA-N	241.319	3.498	0	1	BGAF	
Cc1nn(C)cc1-c1[nH]c2cc(F)ccc2c1C	587635412	HPZYVFLODRLMKF-UHFFFAOYSA-N	243.285	3.324	0	1	BGAF	
CC1(C)C=C2CCc3cocc3[C@H](O)[C@@H]2C1	2356631427	BXLFBSFFOFGUKV-DGCLKSJQSA-N	218.296	3.232	0	1	BGAF	
C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@]21CC[C@H]3CO	2356670346	LGCJLUHHIWNSGQ-MCZMQQNQSA-N	222.372	3.467	0	1	BGAF	
CN1CCCC[C@@H]1CCc1ccccc1	13800783	SUAJALJLPQBEIS-CQSZACIVSA-N	203.329	3.104	0	1	BGAF	
C=C1C=CC2=C(C)CC[C@@H]3[C@H](C)C(=O)O[C@H]3[C@@H]12	15264840	MKSPTSRNVKNQMY-AHLTXXRQSA-N	230.307	3.017	0	1	BGAF	biogenic
CN1[C@@H]2Cc3ccccc3[C@@]1(C)c1ccccc12	27885736	VRDVKRKIXRRDOQ-SJORKVTESA-N	235.330	3.493	0	1	BGAF	
CCOC(=O)/C=C\Oc1ccc2ccccc2c1	49803815	YAJUMWGGVHHFMM-KTKRTIGZSA-N	242.274	3.295	0	1	BGAF	
O=C1C=CC[C@H](c2csc3ccccc23)O1	72122806	XIFKGWHFCVSLMU-LLVKDONJSA-N	230.288	3.446	0	1	BGAF	
C[C@H]1CC[C@]2(O)[C@H]1C[C@H]1CC[C@]2(C)OC1(C)C	238760609	OSXGCNJUBCSZET-XXUMUBMXSA-N	238.371	3.131	0	1	BGAF	
COC(C)(C)c1cc2c3c(cccc3n1)CC2	587213372	ZIDXJDYYFBWYDN-UHFFFAOYSA-N	227.307	3.215	0	1	BGAF	
CC1=C[C@@H]2O[C@]3(C)C[C@H](O)C[C@@]3(C)[C@@]2(C)CC1	2356587869	AEVRZHUASKUUBI-CAEXGNQWSA-N	236.355	3.051	0	1	BGAF	
CC(C)=CCC[C@@H]1CC[C@](C)(O)[C@@H](C)[C@@]1(C)O	2356598918	FNTWVIBKYQRXAE-APIJFGDWSA-N	240.387	3.281	0	1	BGAF	
COc1cc2c(c(C)c1OC)C=CC(C)(C)O2	6069190	JBRBVFAKROJFQF-UHFFFAOYSA-N	234.295	3.196	0	1	BGAF	
c1ccc2c(c1)CN[C@@H]1C3C[C@@H]4C[C@H](C3)CC21C4	96931453	RDXVLTBESCSBMN-LFQZWDMBSA-N	239.362	3.236	0	1	BGAF	
CC1=CC=C[CH]N1CC(=O)c1ccc(Cl)cc1	2356862610	AINCNOVTOYYSIH-UHFFFAOYSA-N	246.717	3.460	0	1	BGAF	
COc1cccc2c1[nH]c1cc(O)c(C)cc12	13334742	KKIHCNHEXVGCGP-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	biogenic
C[C@@H]1Cn2c3c(c4cccc(c42)CN1)CCCC3	26579043	PLKPDLXQRNKCDT-LLVKDONJSA-N	240.350	3.012	0	1	BGAF	
Cc1ccc2ccc(-c3cnccn3)cc2n1	28710048	ZFLFXRKNLFKFDI-UHFFFAOYSA-N	221.263	3.000	0	1	BGAF	
CON(C)C(=O)[C@H](C)c1ccc(CC(C)C)cc1	64490592	FQOSZELLQXJGPI-GFCCVEGCSA-N	249.354	3.008	0	1	BGAF	
Cc1cc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c(C)n1	587968301	ZAGHEIPXNWERER-QJPTWQEYSA-N	239.322	3.254	0	1	BGAF	
CC(C)CCCN1CCN=C1Nc1ccccc1	15924574	LDCYEYYBCNEQKQ-UHFFFAOYSA-N	245.370	3.206	0	3	BGAF	
Cc1ccc(CCC(=O)c2ccc(C)o2)o1	506330	CNSHKPKINJRIIQ-UHFFFAOYSA-N	218.252	3.305	0	1	BGAF	biogenic
CC(C)(O)/C=C/C[C@]1(C)C2C[C@H]3[C@@H](C2)C31C	14690771	OHRVTGGRAFBYNX-GTARQEJSSA-N	220.356	3.386	0	1	BGAF	biogenic,in-vitro
CC(=C1CCN(C)CC1)c1ccccc1	27640883	AHNSVACBRVELJS-UHFFFAOYSA-N	201.313	3.186	0	1	BGAF	
c1cncc(CCc2c[nH]c3ccccc23)c1	37625205	PHSMWONUYCOJFC-UHFFFAOYSA-N	222.291	3.348	0	1	BGAF	
C[C@H]1CC[C@H]2[C@H](C)C(=O)O[C@H]2[C@@H]2[C@H]1CC[C@H]2C	85491502	IICZMVCRWGAHJB-HHXMFUHUSA-N	236.355	3.256	0	1	BGAF	biogenic,in-vitro
C[C@]12CC3CC(CCN)(C1)C[C@](C)(C3)C2	100801949	DZBQIMQORVBIJQ-CEUNDQEZSA-N	207.361	3.332	0	1	BGAF	
COc1c(CC=C(C)C)c(=O)oc2ccccc12	238742023	OZPSELDHIUVUJA-UHFFFAOYSA-N	244.290	3.310	0	1	BGAF	
Cc1cc(F)c2[nH]c([C@H]3CC[C@@H](O)CC3)nc2c1	586899652	RACXSJSVMOUJBV-AOOOYVTPSA-N	248.301	3.029	0	1	BGAF	
COC[C@@H](C)c1cc2c3c(cccc3n1)CC2	587211635	IDFIAUJSFJJMQP-SNVBAGLBSA-N	227.307	3.083	0	1	BGAF	
Cc1ccc([C@H]2CC=NN2C(=O)C(C)(C)C)cc1	1857535163	COPPPPNYFFXBEN-CYBMUJFWSA-N	244.338	3.300	0	1	BGAF	
CC(=CCC[C@H](C)[C@H]1CCC(C)=C[C@@H]1O)CO	2356546215	DFIUOPFZVPTMHK-ZNMIVQPWSA-N	238.371	3.059	0	1	BGAF	
CC1=C2NC(c3ccc(C)cc3)=CN2[CH]C=C1	2356843248	GIBRBYGVYUOUCI-UHFFFAOYSA-N	223.299	3.162	0	1	BGAF	
CCCN1CCC[C@@H]2c3cccc(O)c3CC[C@@H]21	5833860	ANYSYRVXKLTFPB-HIFRSBDPSA-N	245.366	3.296	0	1	BGAF	
C#C[C@@H]1CC[C@]2(C)C=CC[C@H](COC(C)=O)[C@@H]2C1	14922765	KMMNDPPHHXBLCB-WCVJEAGWSA-N	246.350	3.181	0	1	BGAF	biogenic
Cc1cccc2oc(=O)c3c(c12)O[C@@H](C)C3(C)C	15257742	KMPYSZADDJCSEJ-VIFPVBQESA-N	244.290	3.160	0	1	BGAF	biogenic
CCCN[C@@H]1C[C@H]2C[C@@H]1c1ccccc12	29470123	VGDVQXXSROPFHH-LERXQTSPSA-N	201.313	3.029	0	1	BGAF	
CC(C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782063	AZCJPMYIWXNBMH-JSLGZRHDSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
CC(C)(C)[C@@H]1CC(=O)C[C@H](C(C)(C)C)N1N=O	103221728	JNWRTWLDWUDOQW-PHIMTYICSA-N	240.347	3.162	0	1	BGAF	
Cc1c(-c2cnn(C)c2)[nH]c2cc(F)ccc12	587636158	SHXOKHCNKDUTEG-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
CCC[C@@H]1C[C@H]2CCc3[nH]c(=N)nc(c32)[C@@H]1CC	2356444600	APJOEHJDQUQJLP-GMTAPVOTSA-N	245.370	3.233	0	1	BGAF	
C[C@H]1Cc2cocc2[C@@H](O)[C@@H]2CC(C)(C)C=C12	15168792	VFKMKXFLOYASKK-BHYNMZESSA-N	232.323	3.478	0	1	BGAF	
CCCC[C@@H]1C(=O)CCC[C@@]12CCCCN2	28010152	QSDZSNVEJVVROA-OCCSQVGLSA-N	223.360	3.058	0	1	BGAF	
Cc1cccc(-n2sc3ccccc3c2=O)c1	66101347	OPKPVFLDKSVLMC-UHFFFAOYSA-N	241.315	3.361	0	1	BGAF	
CC(C)[C@H]1C[C@@H](O)c2coc3c2[C@@H]1C[C@H](C)C3=O	85866993	IRUCCQNPZCEIEV-BTQIBKBOSA-N	248.322	3.295	0	1	BGAF	
C[C@]12N[C@@H](Cc3ccc(F)cc31)c1ccccc12	100649096	AQCDEBMTYPJJSD-JKSUJKDBSA-N	239.293	3.290	0	1	BGAF	
CC[C@H](C)c1nc2c(Cl)ccnc2[nH]1	587955288	GYFKIJYKWFJEMZ-LURJTMIESA-N	209.680	3.125	0	1	BGAF	
N[C@H](N=O)c1ccc(-c2ccccc2)cc1	957756590	BXPUNSSEQUPJDG-CYBMUJFWSA-N	212.252	3.077	0	1	BGAF	
c1cc(CCn2ccnc2)c2ccsc2c1	13808220	ZEWHOUCPWZPPGK-UHFFFAOYSA-N	228.320	3.341	0	1	BGAF	in-vivo
C[C@@H]1CC[C@@]2(C)C(=O)c3ccoc3C[C@@]12C	14615368	CSUSIQBEPMPDCP-IIMNLJJBSA-N	218.296	3.461	0	1	BGAF	biogenic
CC1(C)CCC[C@]2(C)[C@H]3C(=O)OCC3=CC[C@H]12	15148120	BQNSBENKJCLJGN-JMSVASOKSA-N	234.339	3.322	0	1	BGAF	biogenic
CCC(CC)Nc1nc2cccc(C)c2c(=O)o1	27548212	GVTLCXMWWCKODF-UHFFFAOYSA-N	246.310	3.097	0	1	BGAF	
O=C1c2ccccc2-c2nccc3cc(O)cc1c23	59127214	YIFJSIDSHVJPGC-UHFFFAOYSA-N	247.253	3.152	0	1	BGAF	
Cc1ccc2cc(-c3n[nH]c4cccnc34)[nH]c2c1	64746317	BAHVHTQRHSHZTA-UHFFFAOYSA-N	248.289	3.415	0	1	BGAF	
C/C=C(C)\C=C(\C)c1cc(=O)c(C)c(OC)o1	220632620	IZRINGWNLKDKBD-LFPVQMOXSA-N	234.295	3.326	0	1	BGAF	
CC1=CCC2=C(C)C[C@H]3OC(=O)C(C)=C3C[C@H]12	3644440	KQBRXXMGSZOJLH-TZMCWYRMSA-N	230.307	3.305	0	1	BGAF	biogenic
c1ccc(Cc2nccc(-c3ccccn3)n2)cc1	26647629	NVJUEXCFRXLKNK-UHFFFAOYSA-N	247.301	3.129	0	1	BGAF	
C(=C1\CCCN=C1c1cccnc1)\c1cc[nH]c1	40977641	LCDAAPCYCXHGRV-UKTHLTGXSA-N	237.306	3.076	0	1	BGAF	in-vitro
C/C=C\C=C\C=C/C=C\C(=O)N1C=CCCC1	45097238	JLBTYPJRECBOEI-XVOGQIQMSA-N	229.323	3.367	0	1	BGAF	
Cc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1C	586888741	LWLHHXKTFNMPMV-CQSZACIVSA-N	232.327	3.043	0	1	BGAF	
Cc1cc(C)c2[nH]c(COC(F)(F)F)nc2c1	587122274	BIDYZFCLSWNHHG-UHFFFAOYSA-N	244.216	3.216	0	1	BGAF	
C[C@H](N=O)c1cc2c3c(cccc3n1)CC2	587213117	OIOHWFAMGFBZEM-QMMMGPOBSA-N	212.252	3.161	0	1	BGAF	
c1cc2c3c(cc(-c4ccns4)nc3c1)CC2	587360137	LUNCVHGMTREQKW-UHFFFAOYSA-N	238.315	3.457	0	1	BGAF	
C(=C1CCC1)c1nc2cc3cn[nH]c3cc2[nH]1	587965010	MBTASRRPZLSDEU-UHFFFAOYSA-N	224.267	3.007	0	1	BGAF	
Fc1ccc(-c2cncn2C2CC2)cc1	1911583467	BRIOVBIPUMHNFE-UHFFFAOYSA-N	202.232	3.024	0	1	BGAF	
C=CC=CCCCCCCC[C@@H](O)[C@H](C)N	2356524071	PDPUNMLGRNINFK-UONOGXRCSA-N	225.376	3.167	0	1	BGAF	
Cc1c(C)c2c(c3c1CC(=O)N3)[C@H](C)C[C@@H]2C	2356830141	JESVLNYUKFKGLJ-JGVFFNPUSA-N	229.323	3.409	0	1	BGAF	
CN1CCc2ccc3c4c2[C@H]1C[C@@H]1C=CC=C(C3)[C@H]41	36248156	QVBLTVPWLCQXFO-IMJJTQAJSA-N	249.357	3.371	0	1	BGAF	
O=C(O)c1cccc2c1Cc1ccccc1N=C2	64548459	CSJDNRAXVMHIOO-UHFFFAOYSA-N	237.258	3.040	0	1	BGAF	
COc1ccc2c(=O)n(C3CCCC3)sc2c1	64708192	MIJKQVCRVCWHLA-UHFFFAOYSA-N	249.335	3.187	0	1	BGAF	
Cc1cnn(C(=O)CCCCc2ccccc2)c1	299833105	NZYCAXIVSRJNKK-UHFFFAOYSA-N	242.322	3.245	0	1	BGAF	
c1cnc2[nH]c(-c3ccoc3C3CC3)nc2c1	586900845	FPZWRLOQVGHGKP-UHFFFAOYSA-N	225.251	3.095	0	1	BGAF	
Cc1ccccc1-c1cc2cc(C(=N)N)ccc2[nH]1	24805501	YOZKTHGEOJHIDP-UHFFFAOYSA-N	249.317	3.427	0	1	BGAF	in-vivo
O=C(O)OCC1c2ccccc2-c2ccccc21	34375978	FGIVSGPRGVABAB-UHFFFAOYSA-N	240.258	3.494	0	1	BGAF	in-vitro
C/C=C/c1ccc2c(NC(=O)CCC)n[nH]c2c1	49055182	KPYYGELCJSEEPK-HWKANZROSA-N	243.310	3.335	0	1	BGAF	in-vivo
Cc1cccc(N2O[C@H]3C=C[C@@H]2CCCC3)n1	61943158	CNQWJQKLUHAZBZ-QWHCGFSZSA-N	230.311	3.009	0	1	BGAF	
C[C@H]1CC=C(C(=O)O)[C@](C)(c2ccccc2)C1	144090123	ANOXFEIPVZKIKE-NHYWBVRUSA-N	230.307	3.385	0	1	BGAF	
CC1=CC[C@H]2[C@@H]3[C@H]1[C@]2(C)C[C@@H](O)[C@@H]3C(C)C	257390694	BVCNHEVITXGCEP-JLZCTACVSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
CCC[C@@]1(C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3	587446265	VPNASDIKVQPNNS-IAQYHMDHSA-N	246.306	3.001	0	1	BGAF	
Clc1ccc(-c2cccc3ncnn23)cc1	1236088527	QNCJGXUDXWWAKZ-UHFFFAOYSA-N	229.670	3.050	0	1	BGAF	
C[C@@H]1CCC[P@](=O)(c2ccccc2)CC1	1613074	TVYJSCAQHHKNTM-IUODEOHRSA-N	222.268	3.495	0	1	BGAF	
COc1cccc2c1N(C)C(C)(C)C=C2C	29567034	DKEFYZPDBNFXPG-UHFFFAOYSA-N	217.312	3.327	0	1	BGAF	
N[C@H]1[C@@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc1C2	100698575	RBCLHKCRXOPGGK-UISBYWKRSA-N	241.256	3.082	0	1	BGAF	
NC[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1c1ccc(Cl)cc1	100822689	JGDHOGCSEVVPRV-IMIFBBOLSA-N	235.758	3.428	0	1	BGAF	
Oc1cc(-c2cc3c4c(cccc4n2)CC3)ccn1	587213743	ZXHVAOGIEVOYBV-UHFFFAOYSA-N	248.285	3.101	0	1	BGAF	
CC(C)NC(=O)Nc1cccc2ccc(O)cc12	13471110	GTNCSJQTQMTYDX-UHFFFAOYSA-N	244.294	3.075	0	1	BGAF	
CNc1ccc(-c2nc3ccc(F)nc3o2)cc1	95563740	KJNJGCMAUSYHPD-UHFFFAOYSA-N	243.241	3.071	0	1	BGAF	
CCC[C@H]1OC[C@]2(CO)[C@@H](C)[C@@H]1C(C)=C[C@H]2C	100537482	BCAUUCDDNVFSTF-SEBNEYGDSA-N	238.371	3.012	0	1	BGAF	
Cc1cc(-c2cccc(C(N)=S)c2)ccc1O	1857613492	DKVQIJQEMCIREC-UHFFFAOYSA-N	243.331	3.002	0	1	BGAF	
C[C@@H]1CC[C@]2(C1)C(C(=O)O)=CCC[C@H]2C	2356579256	WDDHMVJSZRYGPI-GIPNMCIBSA-N	208.301	3.234	0	1	BGAF	
CC1=C[C@@]23CC(C)(C)C[C@@]2(O)[C@H](C)CC[C@H]1O3	2356756525	KTUDICJUCCREHW-QHSBEEBCSA-N	236.355	3.051	0	1	BGAF	
CCCCCC(=O)c1ncc(-c2ccccn2)o1	13611911	IADPDKBSCXXBSP-UHFFFAOYSA-N	244.294	3.500	0	1	BGAF	
CN[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1	26834748	HLOCJJORRHQDKS-WBVHZDCISA-N	237.346	3.353	0	1	BGAF	in-vivo
C[C@]1(O)CC[C@H]2[C@@H]3CCCC=C3C=C[C@]21C	27708587	ILJJWXMZGGKVML-BARDWOONSA-N	218.340	3.450	0	1	BGAF	
C[C@@H]1CCC(=O)[C@@H]2CC[C@@H](C(C)(C)O)C[C@@]12C	137740205	ZGRPWWDOSQIIIF-FJJYHAOUSA-N	238.371	3.179	0	1	BGAF	
CC(=O)SC(C)(C)[C@@H]1CC[C@H](C)C(=O)C1	238750689	ABUPPVNDFMOSIZ-WCBMZHEXSA-N	228.357	3.050	0	1	BGAF	
CCCC/C=C/c1nc2c(C)ccnc2[nH]1	587965298	JKNMFZNBTQGSOT-VOTSOKGWSA-N	215.300	3.470	0	1	BGAF	
CCC/C=C/c1cc2c(O)ccc(O)c2c(=O)o1	13339592	IGZDEFGSVLJTJQ-SNAWJCMRSA-N	246.262	3.018	0	1	BGAF	
CCC[C@H](C)Nc1nc2cccc(C)c2c(=O)o1	27526715	AESKPKJJKZKDHI-JTQLQIEISA-N	246.310	3.097	0	1	BGAF	
CCC[C@]1(c2ccc3[nH]ccc3c2)CCNC1	40866676	PNEAEOHMGHCGPC-HNNXBMFYSA-N	228.339	3.199	0	1	BGAF	
CC(=O)[C@H]1CC[C@@H]2[C@H]1[C@H](C(C)C)CC[C@@]2(C)O	221478543	WLXJHVQYKOJBBN-VYDRJRHOSA-N	238.371	3.035	0	1	BGAF	biogenic,in-vitro
CC(=CCCc1ccoc1)C[C@@H]1C=C(C)C(=O)O1	2356516839	LMVBLGWKMLOBGT-CQSZACIVSA-N	246.306	3.420	0	1	BGAF	
CCCc1ccc2occ(CCNC(C)=O)c2c1	13781788	PYVHFLBHYDIFFT-UHFFFAOYSA-N	245.322	3.064	0	1	BGAF	
CO[C@@H]1CCc2cc(-c3cccnc3)ccc2C1	40392835	LPKACSKZPXNEBK-MRXNPFEDSA-N	239.318	3.252	0	1	BGAF	
COc1ccccc1/C=C/c1cc(O)ccc1O	84668513	PITPQGBROHWMNE-VOTSOKGWSA-N	242.274	3.277	0	1	BGAF	
C[C@@H]1N(C)[C@H]2CCC[C@@]1(c1ccccc1)C2	101256353	IJKVNCVULMELLQ-AEGPPILISA-N	215.340	3.201	0	1	BGAF	
Cc1cccc(-c2ccc3ncnc(N)c3c2)c1	148877369	AOGXVQICAQYRPH-UHFFFAOYSA-N	235.290	3.187	0	1	BGAF	
CCNC[C@@H]1CCc2ccc3ccccc3c2O1	169333263	CEZHTUJICQBKCV-AWEZNQCLSA-N	241.334	3.143	0	1	BGAF	
Clc1ccc2nc(C3=CCCC3)[nH]c2n1	586882899	CQTSWFZYGBNUCX-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
Oc1c(F)cc(Cc2ccccc2)cc1F	653856991	FUOGXHCHIUAEDI-UHFFFAOYSA-N	220.218	3.261	0	1	BGAF	
Oc1cc(Nc2cccnc2)cc2cccnc12	36380959	XYXNFEZHMDBAAU-UHFFFAOYSA-N	237.262	3.079	0	3	BGAF	
Cc1cc(O)cc(Oc2c(C)cc(O)cc2O)c1	141297414	AKAZFIHJYKLCAR-UHFFFAOYSA-N	246.262	3.213	0	1	BGAF	
CC1=C(N)N(Cc2cc(C)cc(C)c2)[CH]C=C1	2356854805	ULIPIBWCLQFCDV-UHFFFAOYSA-N	227.331	3.027	0	1	BGAF	
Cc1cc2c(cc1O)O[C@@H](C)CC(=O)[C@@H]2C(C)C	13461471	NRXPKUCOZPTCRA-ZUZCIYMTSA-N	248.322	3.180	0	1	BGAF	biogenic
O=C1CCC(=C2C[C@H]3[C@@H]4CC(=O)[C@@H](C4)[C@H]3C2)CC1	13835468	YHKBANIERIYRJY-MXAVVETBSA-N	244.334	3.061	0	1	BGAF	
Cc1ccc([C@]2(C)CC[C@@H](C(C)(C)O)O2)cc1	40834441	IFVHOZWUEJVVRF-ZFWWWQNUSA-N	234.339	3.160	0	1	BGAF	
CC1(C)CCC[C@]2(C)[C@@H]3[C@H](CC[C@@H]12)CO[C@@H]3O	140548474	JQLJPTCKTYQKIH-JYKNGBAOSA-N	238.371	3.194	0	1	BGAF	
C/C=C(\C)c1ccc(CC(C)C)c(=O)o1	206992633	NRPDUWHDIVSXDI-BJMVGYQFSA-N	206.285	3.262	0	1	BGAF	
CC1=CC[C@H]2[C@H]3[C@H](C(C)C)[C@@H](O)C[C@@]2(C)[C@@H]13	257390695	BVCNHEVITXGCEP-RODWMJHOSA-N	220.356	3.242	0	1	BGAF	endogenous,in-man
CC[C@@H](C)c1nc2cc(C(F)(F)F)cnc2[nH]1	587955705	KUUZQDQDDLEPDN-ZCFIWIBFSA-N	243.232	3.490	0	1	BGAF	
CC(C)=CC(=O)[C@@H]1[C@@H](C)CC[C@@]1(O)c1ccoc1	13383600	MZISRFGDZVZINJ-TUKIKUTGSA-N	248.322	3.049	0	1	BGAF	biogenic
CC(C)=C1C[C@]2(C)[C@H](C)CCC[C@H]2C(=O)C1=O	14450480	FDSKVKWNOUGNEF-IFUGULHKSA-N	234.339	3.307	0	1	BGAF	biogenic
CC(C)CC(=O)Oc1ccc([C@H]2O[C@H]2C)cc1	14504145	XJCYTMWTYJBKQV-HZMBPMFUSA-N	234.295	3.098	0	1	BGAF	biogenic
Cc1ccc(N2N=NC[C@@H]2c2ccncc2)cc1	26149629	KWBCHVSAPCMXAY-CQSZACIVSA-N	238.294	3.319	0	1	BGAF	
CCC[C@]1(c2cccc(O)c2)CCN(C)C[C@H]1C	195815166	RTOHPIRUUAKHOZ-CJNGLKHVSA-N	247.382	3.402	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2ccc(OC)cc2[nH]1	586885847	AHIUHMIFOVRLLW-IINYFYTJSA-N	230.311	3.475	0	1	BGAF	
c1cc2c3c(cc(CC4CC4)nc3c1)CC2	587214745	YAGCOJHCICJAGG-UHFFFAOYSA-N	209.292	3.286	0	1	BGAF	
Cc1csc(Nc2ccc(C(C)(C)O)cc2)n1	1210614585	PAZJRVXDHMWKLJ-UHFFFAOYSA-N	248.351	3.423	0	1	BGAF	
COc1ccccc1-c1cnc(S)s1	1772602818	DMUULLFDGACFBP-UHFFFAOYSA-N	223.322	3.107	0	1	BGAF	
CC1=CCC[C@H](C)C=C[C@@H](C(C)(C)O)C[C@@H]1O	2356764972	DXVZUYIXOHXNBU-YUTCNCBUSA-N	238.371	3.057	0	1	BGAF	
CCCCCCOc1ccc(-n2ccnc2)cn1	13588739	DCDHWTNKKCKJLQ-UHFFFAOYSA-N	245.326	3.226	0	1	BGAF	in-vivo
CCCc1[nH]c(=O)c(-c2ccccc2)c(O)c1C	26175074	WPVLRJPOKAPVAE-UHFFFAOYSA-N	243.306	3.008	0	1	BGAF	
CN1CC[C@@]23CCCC[C@H]2[C@H]1Cc1ccccc13	164363688	IHBSVVZENGBQDY-GVDBMIGSSA-N	241.378	3.375	0	1	BGAF	
CC(C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2	587873953	QJSUZIBOGUYLAU-UHFFFAOYSA-N	246.241	3.091	0	1	BGAF	
CCCC/C=C/c1nc2ccc(OC)nc2[nH]1	587966240	TVWPKHFCGAUWJN-VOTSOKGWSA-N	231.299	3.170	0	1	BGAF	
CC(C)[C@@H]1C[C@@]2(C)[C@H](CC1=O)[C@H](O)CC[C@H]2C	2356808173	YNPVPSSWCJNYOA-WPLOAARJSA-N	238.371	3.035	0	1	BGAF	
Cc1ccc2ccc(-c3ncccn3)cc2n1	28710049	PEKCNVVIKFMUKC-UHFFFAOYSA-N	221.263	3.000	0	1	BGAF	
CC(C)=CCOc1cc(=O)oc2ccccc12	84733391	FUFAEBGONGEKMI-UHFFFAOYSA-N	230.263	3.138	0	1	BGAF	
C[C@H]1CCc2nc3cccc4c3c(c21)CC4	587216120	ZRSTUXLVNXDHRW-VIFPVBQESA-N	209.292	3.383	0	1	BGAF	
C/C(=C\c1cc(-c2ccccc2)cs1)C(N)=O	653735570	QICLZURPVIFMMJ-JXMROGBWSA-N	243.331	3.304	0	1	BGAF	
c1ccc(-c2c[nH]c(-c3ccccn3)n2)cc1	13553738	ZSKSAWIHWQEFNO-UHFFFAOYSA-N	221.263	3.139	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1CC=C(C)[C@@H](O)[C@H]1O	33951445	SDAWXTDBEYZMMX-MYPMTAMASA-N	238.371	3.057	0	1	BGAF	
CCCC/C=C/c1nc2c(C)nccc2[nH]1	587965332	JYWWEBCQJQBSSY-VOTSOKGWSA-N	215.300	3.470	0	1	BGAF	
COc1ccc2c(c1)ncn2-c1ccsc1	3815797	XBRXJBQOLZZMNF-UHFFFAOYSA-N	230.292	3.096	0	1	BGAF	
C(=C/c1n[nH]c2ccccc12)\c1cccnc1	3820637	HWDBUEBDESOCBK-BQYQJAHWSA-N	221.263	3.128	0	1	BGAF	
CC1(C)c2ccccc2[C@H](O)C12CCC(=O)CC2	5757392	WFKWOODOULRKGA-AWEZNQCLSA-N	244.334	3.141	0	1	BGAF	
Clc1ccc2cc3c(cc2n1)[C@H]1CNC[C@@H]3C1	28528815	SRJJMFYWQLESEK-VHSXEESVSA-N	244.725	3.062	0	1	BGAF	
C[C@@H]1C[C@@]2(C)c3ccccc3C[C@@H]([C@@H]2C)N1C	100803227	RWJVTTDOGFCAJS-GUYJKWIASA-N	229.367	3.229	0	1	BGAF	
COc1cc2nc(C3=CCCC3)[nH]c2cc1OC	586885523	VOSJLCKAPOKXJK-UHFFFAOYSA-N	244.294	3.147	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)C[C@@H](C1CC1)C4)CC2	587215374	MGGISEJCVOATFD-LBPRGKRZSA-N	235.330	3.458	0	1	BGAF	
Cc1ccc2c(c1)[C@@]1(C)N[C@H](C2)c2ccccc21	100649307	DGTUVJAVPZIMON-SJORKVTESA-N	235.330	3.459	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2cccc(C(=O)O)c2[nH]1	586886700	CTSUALZCLJIANG-OTYXRUKQSA-N	244.294	3.165	0	1	BGAF	
COc1cc(/C=C\c2ccoc2)cc(OC)c1	13553965	UUOXVOMLPNADJK-ARJAWSKDSA-N	230.263	3.467	0	1	BGAF	
CCc1nc(Cc2c[nH]cn2)c(C(C)C)s1	13802733	KBEWKVTUUSUDLO-UHFFFAOYSA-N	235.356	3.143	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1Cc1c2cccc1C(F)(F)F	26294532	GVBOIVFALSGRQZ-FDOIEUKUSA-N	241.256	3.082	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(C(C)(C)C)O2	587403999	STFRGTCPVLUSHC-HNNXBMFYSA-N	247.338	3.347	0	1	BGAF	
COc1nccc2nc([C@@H]3CC=CC[C@H]3C)[nH]c12	587968347	ZIDAUAGLHQCXMF-NXEZZACHSA-N	243.310	3.036	0	1	BGAF	
O=c1oc2c(O)cccc2cc1-c1cccs1	653899325	YAINDFNMSXHRIY-UHFFFAOYSA-N	244.271	3.227	0	1	BGAF	
CC(C)(C)C(=O)N1N=CC[C@@H]1c1cccc(F)c1	1857589347	ZLXAZQJEBYTDCD-GFCCVEGCSA-N	248.301	3.131	0	1	BGAF	
CC(C)[C@H]1CC[C@@]2(C)[C@H]3CC=C(C(=O)O)[C@H]2[C@H]31	2356626208	OWRXXWMFSVYUSF-WVFFKWQOSA-N	234.339	3.336	0	1	BGAF	
c1ccc(-c2c[nH]c(-c3cccnc3)n2)cc1	13553739	LTCDTRSZRYCRBC-UHFFFAOYSA-N	221.263	3.139	0	1	BGAF	
CCC[C@@H]1CCCCCCCC(=O)OCCN1	14680504	QYUAIHHWMFYMIS-CYBMUJFWSA-N	241.375	3.032	0	1	BGAF	biogenic
O=c1oc2ccccc2cc1-c1cccc(O)c1	26287869	VQERDEBQCCIXLI-UHFFFAOYSA-N	238.242	3.166	0	1	BGAF	
O=c1occcc1Cc1cccc2ccccc12	40631564	JECYEONQXXMXQH-UHFFFAOYSA-N	236.270	3.384	0	1	BGAF	
CC[C@@H](C)[C@@H]1N[C@H](C)S[C@H](C)S1	95620592	WONMKWKUDGYZEA-RYPBNFRJSA-N	205.392	3.120	0	1	BGAF	in-man
CC1=CC[C@@](O)([C@H](C)CC/C=C(\C)CO)CC1	13377279	KNGVJRHBQKQKMD-MZGVWUSBSA-N	238.371	3.203	0	1	BGAF	
N[C@@H]1C[C@H]1c1cc(F)ccc1-c1ccccc1	89470031	OADWWZWZGPNUQT-LSDHHAIUSA-N	227.282	3.307	0	1	BGAF	
Cc1ccc2nc(-c3cccc(CO)c3)[nH]c2c1	586895011	KTKQQHJERPIWQK-UHFFFAOYSA-N	238.290	3.031	0	1	BGAF	
O=C1C[C@@H](C2CC2)Oc2c1ccc1c2CCCC1	587523324	HUAHMLADSFEMEL-HNNXBMFYSA-N	242.318	3.309	0	1	BGAF	
Clc1cnc(Cl)c2[nH]c(CC3CC3)nc12	587959026	KYAAAMZTZDIPLF-UHFFFAOYSA-N	242.109	3.217	0	1	BGAF	
Clc1cnc2[nH]c(C=C3CCC3)nc2c1	587965070	NDAVOIXFKYYZEU-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@H]1C=C[C@](O)(CO)CC1	2356483615	QRDXWQFHSPWYOD-SOUVJXGZSA-N	238.371	3.059	0	1	BGAF	
O=c1c2ccccc2sn1-c1ccccc1F	61956262	IFVNDQLFGOHRTK-UHFFFAOYSA-N	245.278	3.191	0	3	BGAF	
CCCN(CCC)[C@@H]1Cc2cccc(OC)c2C1	13471354	UJEXCOYXKFZVRX-CQSZACIVSA-N	247.382	3.284	0	1	BGAF	
C[C@@H]1CC[C@H](C=O)[C@@H](C=O)C2=CC(C)(C)C[C@H]21	14769121	PIDWXMMRRLYHKF-NRWUCQMLSA-N	234.339	3.019	0	1	BGAF	biogenic
O=C1CCCc2nc(-c3cccs3)ccc21	66065918	RRUSYRCSLDWLLL-UHFFFAOYSA-N	229.304	3.329	0	1	BGAF	
C/C1=C/[C@H](O)C/C(C)=C/[C@H](O)[C@H](C(C)C)CC1	141538665	QNMWLBQJIVQIBA-SKUBPISKSA-N	238.371	3.057	0	1	BGAF	
COc1ccc(/C=C/N(C)C(=O)C=C(C)C)cc1	238784183	HGIHMIZWOBJXGP-MDZDMXLPSA-N	245.322	3.091	0	1	BGAF	
C[C@@H]1CC=CC[C@H]1c1nc2nc(Cl)c[nH]c-2n1	587966978	IXZPEGOUJDAOLL-HTQZYQBOSA-N	248.717	3.028	0	1	BGAF	
C[C@@H]1CCC[P@@](=O)(c2ccccc2)CC1	1613076	TVYJSCAQHHKNTM-DOMZBBRYSA-N	222.268	3.495	0	1	BGAF	
CCCOc1cccnc1Nc1cccc(C)n1	28527226	RTXPZBMXKJAKMK-UHFFFAOYSA-N	243.310	3.317	0	1	BGAF	
C/C=C(/C)C(=O)OC/C=C/c1ccc(OC)cc1	32303276	MZKARNAOCAPDSD-HSZUAVIASA-N	246.306	3.218	0	1	BGAF	
Cc1cc2c(cc1O)C[C@]1(CC[C@@H]3C[C@@]31C)O2	40874197	BHDVYQMSXFNVLY-UGFHNGPFSA-N	230.307	3.194	0	1	BGAF	
CC(C)(C)c1ccc2nc([C@H](N)C3CC3)[nH]c2c1	587255328	DKYWPHXTSGFVIQ-CYBMUJFWSA-N	243.354	3.270	0	1	BGAF	
CC[C@@H](C)[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403502	NTYFRAYPVUOMAC-BMIGLBTASA-N	247.338	3.347	0	1	BGAF	
CC(C)(C)c1cc(Cl)c2c(c1)CNCCO2	27859233	PTJNUJFEBGXXJO-UHFFFAOYSA-N	239.746	3.120	0	1	BGAF	
CCCCCN[C@H]1CCc2c(O)cccc2C1	169327996	FFEITZIVTGGUIF-ZDUSSCGKSA-N	233.355	3.029	0	1	BGAF	
COC(C)(C)c1cc2cc(O)ccc2o1	2356800160	PTLFTYPNFUBWKW-UHFFFAOYSA-N	206.241	3.020	0	1	BGAF	
CC(C)=CCC[C@@H](C)[C@@H]1CCC(CO)=CC1=O	14444314	XLSXOQZUYPFQQM-OCCSQVGLSA-N	236.355	3.267	0	1	BGAF	biogenic
Nc1ccc(-c2ccc3ccnc(N)c3c2)cc1	45202645	OQVHYWXPXRZPCB-UHFFFAOYSA-N	235.290	3.066	0	1	BGAF	
O=C1OCc2ccc(OCC3CCCCC3)cc21	96927363	MPTPNCCNHBIBOS-UHFFFAOYSA-N	246.306	3.316	0	1	BGAF	
c1ccc(C2=N[C@H]3O[C@H]2c2ccccc23)cc1	102915170	SUHOFGLAPMQIEI-GJZGRUSLSA-N	221.259	3.259	0	1	BGAF	
CC(C)=CCC[C@H](C)[C@@]1(O)CCC(C)=C[C@H]1O	13377243	XSCKUUHHFRRUMW-ZNMIVQPWSA-N	238.371	3.201	0	1	BGAF	biogenic
Cc1ccc2c(c1)O[C@H](c1cccnc1)CC2=O	34458113	OHZXYKNCJFVELN-AWEZNQCLSA-N	239.274	3.097	0	1	BGAF	
CCn1c2c(c3ccccc31)C[C@H](N(C)C)CC2	39214076	PRNYDZAPYQIOSJ-GFCCVEGCSA-N	242.366	3.080	0	1	BGAF	
Oc1ccc2c(c1)-c1[nH]c3ccccc3c1C2	45393657	PGXKTNKPMOJOOZ-UHFFFAOYSA-N	221.259	3.445	0	1	BGAF	
CCCC[C@H](CC)[C@H]1NC(=O)c2ccccc2N1	72170988	YYUQLDLABXPGOV-SMDDNHRTSA-N	246.354	3.384	0	1	BGAF	
C[C@H]1CC[C@H]2c3c(c(C(=O)O)cc(O)c31)C[C@@H]2C	85842183	MLNIJTRDXCDNQZ-XHNCKOQMSA-N	246.306	3.264	0	1	BGAF	
O[C@@H](Cc1ccccc1)c1cc2ccccc2[nH]1	103289169	OJTMKGCGYAVLOD-INIZCTEOSA-N	237.302	3.444	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@@H](C1CC1)CC2=O	587486242	XFRWXMIZJQPRBK-CQSZACIVSA-N	246.306	3.089	0	1	BGAF	
O=C(O)/C(S)=C/c1csc2ccccc12	1857637565	RAMCKYVBVNEIFT-UITAMQMPSA-N	236.317	3.257	0	1	BGAF	
CC1(C)CCC[C@]2(C)CCOC(=O)C[C@H]12	14616550	CMIIIOPFYNCZPR-ZWNOBZJWSA-N	210.317	3.156	0	1	BGAF	biogenic
CCCN1CCC[C@@H]2c3cc(O)ccc3CC[C@@H]21	26275274	LGRLJXCJYMYBLM-ZBFHGGJFSA-N	245.366	3.296	0	1	BGAF	
CCC[C@@H](C)Nc1nc2cccc(C)c2c(=O)o1	27526713	AESKPKJJKZKDHI-SNVBAGLBSA-N	246.310	3.097	0	1	BGAF	
O=C1C[C@@H]2CCC[C@](Oc3cccc(O)c3)(C1)C2	29416475	AWSUVPXTHHRVQU-XHDPSFHLSA-N	246.306	3.063	0	1	BGAF	
CO/C(O)=C1/C(C)=NCC[C@H]1c1ccccc1F	100030410	BKKPCWNRCUSTPP-IVPXEPLCSA-N	249.285	3.190	0	1	BGAF	
O=C(O)CCC[C@@H]1C[C@H]2[C@H]1[C@@H]1[C@@H]3[C@H]4CC[C@@H]4[C@H]3[C@@H]21	102184803	ZDWWCRQXNJGGFF-XLAZCPPPSA-N	246.350	3.025	0	1	BGAF	
Cc1cnc2[nH]c(/C=C/c3ccsc3)nc2c1	587026022	QPVYROABNCNCGK-NSCUHMNNSA-N	241.319	3.498	0	1	BGAF	
CCCC[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587403907	ADCAHJVDCJGFRZ-JTQLQIEISA-N	233.311	3.101	0	1	BGAF	
CC1=CC[C@]2(CC1)[C@@H](C(C)(C)O)CC[C@@]2(C)O	2356552337	LZBYJSPEFVYKOU-YUELXQCFSA-N	238.371	3.035	0	1	BGAF	
C1=Nc2ccccc2/C1=C/NN1CCCCCC1	4897135	ATFDKXFCNALNGN-OUKQBFOZSA-N	241.338	3.124	0	3	BGAF	
CCCCCNc1ncnc2c(C(C)C)n[nH]c12	13538218	OUGKDJPQQRMFJL-UHFFFAOYSA-N	247.346	3.078	0	1	BGAF	
O=C1Cc2ccc(C3CCCCC3)cc2O1	29248479	ANCFABZMIOVNLL-UHFFFAOYSA-N	216.280	3.196	0	1	BGAF	
CO[C@@H](c1ccc(C(=O)O)cc1)C(C)(C)C	29390991	ZJJPKMXQWCZGJT-NSHDSACASA-N	222.284	3.118	0	1	BGAF	
COC(=O)c1cccc2[nH]c3cc(C)ccc3c12	53312827	FHHJLGLYLZGBLF-UHFFFAOYSA-N	239.274	3.416	0	1	BGAF	
CC(=CC[C@@H]1N[C@H](c2ccoc2)CC[C@H]1C)CO	2356404697	VACAXMGPQVSASV-SNPRPXQTSA-N	249.354	3.038	0	1	BGAF	
CC1=CC[C@]2(CC1)[C@H](C(C)(C)O)CC[C@]2(C)O	2356552335	LZBYJSPEFVYKOU-QEJZJMRPSA-N	238.371	3.035	0	1	BGAF	
C[C@@H]1CC[C@@H]2C(=O)c3ccoc3C[C@]21C	2356575594	SVKFQPIEJUCJEM-JQEORGNBSA-N	204.269	3.071	0	1	BGAF	
C=C=C[C@@H]1C[C@@H]2Oc3cccc(CC)c3[C@H]2O1	2356794633	LHLMWKHMUMTEJD-ZLDLUXBVSA-N	228.291	3.181	0	1	BGAF	
CC1=C[C](N)N(Cc2cc(C)cc(C)c2)C=C1	2356842427	WWJBLNPNKXABGS-UHFFFAOYSA-N	227.331	3.027	0	1	BGAF	
C[C@H](CO)CCCC1=CC[C@H](C(C)(C)O)CC1	14490176	RTRSZZNEAVOVSG-JSGCOSHPSA-N	240.387	3.283	0	1	BGAF	biogenic
Cc1cccc2c1C[C@H]1N[C@]2(C)c2ccccc21	28758107	GSRJLVZSPVWLFY-IAGOWNOFSA-N	235.330	3.459	0	1	BGAF	
Cc1ccc2c(c1O)OC[C@@H](c1ccccc1)C2	64548846	TYHVDKBWIYTHTM-AWEZNQCLSA-N	240.302	3.419	0	1	BGAF	
C[C@@H]1C(=O)C[C@@H](C(C)(C)C)N[C@@H]1C(C)(C)C	103220270	SXWHWRLSIYZHJH-USWWRNFRSA-N	225.376	3.014	0	1	BGAF	
O=C1CCc2cc(Nc3ccccc3)ccc2N1	169353100	YNUSLFFRSICKPG-UHFFFAOYSA-N	238.290	3.315	0	1	BGAF	
N#Cc1ccc(/C=C/c2ccc3c(c2)OCO3)cc1	212072736	WIWLIYXHBVOLPW-DAFODLJHSA-N	249.269	3.457	0	1	BGAF	
COc1snc2cc(-c3ccccc3)cnc12	223248708	ZGRUFHJUXQKHDB-UHFFFAOYSA-N	242.303	3.367	0	1	BGAF	
COC(=O)C[C@H](O)CCCCCCCC(C)C	238730665	GZUMMKMTAIZFSG-CYBMUJFWSA-N	244.375	3.297	0	1	BGAF	
c1ccc(-c2cc(Cn3ccnc3)sn2)cc1	1772600304	XQIPNWMEWRTLNI-UHFFFAOYSA-N	241.319	3.055	0	1	BGAF	
Cc1ccccc1[C@H](O)CCCCCC(=O)O	2356684263	PQFXYLVJVQEKFY-CYBMUJFWSA-N	236.311	3.064	0	1	BGAF	
Cc1cc2c(cc1O)O[C@H](C)CC(=O)[C@H]2C(C)C	13461473	NRXPKUCOZPTCRA-BMIGLBTASA-N	248.322	3.180	0	1	BGAF	biogenic
CC(C)[C@@H]1CC(=O)c2coc3c2[C@H]1C[C@@H](C)C3=O	14439224	ITOFWMRNIIFZKF-UTLUCORTSA-N	246.306	3.444	0	1	BGAF	biogenic
O[C@H]1CCC2=C(C1)C[C@@H](CCN1CCCCC1)C2	169327455	JETQOIJXQDJVMI-BBRMVZONSA-N	249.398	3.114	0	1	BGAF	
COc1cc2nc(C=C3CCC3)[nH]c2cc1C	587964767	HMWKTFAEKCODFH-UHFFFAOYSA-N	228.295	3.447	0	1	BGAF	
Cc1cc(=O)[nH]c2c3c(ccc12)OC(C)(C)C=C3	1861922	FCVQLBDLMFSDAX-UHFFFAOYSA-N	241.290	3.021	0	1	BGAF	
CCC[C@@H](C(=O)c1cccc(C)c1)N1CCCC1	13682120	HHSYAWUBPBEDMP-HNNXBMFYSA-N	245.366	3.442	0	1	BGAF	in-vivo
CC1=C2CC[C@H](C)[C@@H]2C[C@@H]2[C@H](C1)OC(=O)[C@H]2C	15264476	LGGWYHIMEGQREQ-OEPDZKIOSA-N	234.339	3.321	0	1	BGAF	biogenic
CCCCN(C)Cc1coc(-c2ccco2)n1	72179944	VBLRQFAOAGWSTM-UHFFFAOYSA-N	234.299	3.167	0	1	BGAF	
CC1=C2[C@H]3OC(=O)[C@H](C)[C@H]3CC[C@]2(C)CCC1	238773911	IVACOVAJGWWAAS-ZSEWYUTFSA-N	234.339	3.465	0	1	BGAF	
COC(=O)C=Cc1ccc(O)c(CC=C(C)C)c1	2356621021	LZEOAWXRNGQEHO-UHFFFAOYSA-N	246.306	3.087	0	1	BGAF	
COc1ccc(/C=C/c2ccccn2)cc1OC	26271059	WGWRQOMPMADMNB-SOFGYWHQSA-N	241.290	3.269	0	1	BGAF	
CCC[C@@H](C)Oc1cccc2ccc(N)nc12	28389137	KMEFXXMANWGJCR-SNVBAGLBSA-N	230.311	3.384	0	1	BGAF	in-vivo
FC(F)(Cl)OC(F)(F)C(F)(F)Cl	40915947	ZAIMOQARGQTIQR-UHFFFAOYSA-N	236.926	3.217	0	1	BGAF	
CC(C)C[C@@H]1N[C@H](C)S[C@H](C)S1	212543132	TWYULKMKVIUSSQ-XHNCKOQMSA-N	205.392	3.120	0	1	BGAF	endogenous,in-man
Clc1cnc2[nH]c(C3=CCCC3)nc2c1	586883469	KABDAVNTYGFSTL-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
CC[n+]1ccc2ccnc3c2c1-c1ccccc1-3	1772600713	WIIFSHSQURARCJ-UHFFFAOYSA-N	233.294	3.190	0	1	BGAF	
Cc1ccc(O)c([C@]2(CO)CCCC2(C)C)c1	15273661	RWRCROWOIGNRGD-OAHLLOKOSA-N	234.339	3.141	0	1	BGAF	biogenic
c1cncc(CCc2cc3ccccc3[nH]2)c1	66074028	QINFEYUJDPHOLM-UHFFFAOYSA-N	222.291	3.348	0	1	BGAF	
CCc1nc2ccc(F)cc2c(OC(C)=O)c1C	103290314	MRIVBHZSBLWDDP-UHFFFAOYSA-N	247.269	3.170	0	1	BGAF	
Cc1ccc2sc(-c3ccccc3)c[n+]2c1	169318502	SZSGIHRQTTXWFH-UHFFFAOYSA-N	226.324	3.462	0	1	BGAF	
Oc1ccc2nc(-c3ccoc3C3CC3)[nH]c2c1	586900565	BBOOHFUNKIVCAM-UHFFFAOYSA-N	240.262	3.406	0	1	BGAF	
Oc1ccc(-c2cc3c4c(cccc4n2)CC3)nc1	587212828	RGHYOZZKTUIEMW-UHFFFAOYSA-N	248.285	3.101	0	1	BGAF	
C=CC(C)=CC=C[C@@](C)(O)[C@H]1CCC(C)(C)O1	2356420307	VZBMIEMHBOCITJ-UKRRQHHQSA-N	236.355	3.384	0	1	BGAF	
C[C@@H]1[C@H]2O[C@@H]3CC[C@@]4(C=CC[C@@H](C)[C@]4(C)[C@@H]13)O2	2356555033	GTARSQGFXOXFHP-MRKIUDBFSA-N	234.339	3.129	0	1	BGAF	
Cc1oc2ccc3c(C)cc(=O)oc3c2c1C	6069648	WSZHMTCJRBHJMN-UHFFFAOYSA-N	228.247	3.464	0	1	BGAF	
CC[C@@H](C)c1ccc(C(=O)Cn2ccnc2)cc1	13209416	OOXCESFTNOWERX-GFCCVEGCSA-N	242.322	3.280	0	1	BGAF	
CCC[C@H](C(=O)c1ccccc1C)N1CCCC1	13682112	VVIVTDYOMWHKAE-OAHLLOKOSA-N	245.366	3.442	0	1	BGAF	in-vivo
CC(C)N(C)CCc1c[nH]c2cc3ooc3cc12	28002752	NRYSWBZDKFKXLZ-UHFFFAOYSA-N	246.310	3.390	0	1	BGAF	
Cc1cc2c(c(C)c1O)c1ccncc1n2C	40862018	JCDJPCUBMGHYGU-UHFFFAOYSA-N	226.279	3.049	0	1	BGAF	
CN1C[C@H]2C=C(c3cnccc3Cl)C[C@@H](C2)C1	101576644	BHIGQRNBSBBYCZ-GHMZBOCLSA-N	248.757	3.090	0	1	BGAF	
CC[C@@H]1N(C)[C@H]2CCC[C@@]1(c1cccc(O)c1)C2	137957452	LVUQZQSYCFIWQF-BPUTZDHNSA-N	245.366	3.297	0	1	BGAF	
Cc1cc(C)cc(CN2C=C[C](N(C)C)C=C2)c1	2356815252	QKMQSMVWNYXVHH-UHFFFAOYSA-N	241.358	3.240	0	1	BGAF	
O=C1CCc2c(ccc3ccccc23)S1	13560908	HYPFEVZIYSXWAP-UHFFFAOYSA-N	214.289	3.405	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C(C)(C)O)CC[C@@]2(C)CC1=O	14447493	QLPFFALFRHDBQD-JMSVASOKSA-N	236.355	3.099	0	1	BGAF	biogenic
C[C@H]1CC[C@H]2[C@H](C2(C)C)[C@@]2(O)[C@@H](C)CC[C@@H]12	238737224	OHFMYRJCMYNZKO-JVFXBBKESA-N	222.372	3.466	0	1	BGAF	
CC[C@@]1(C)C[C@H]1c1nc2cncc(C)c2[nH]1	586892063	SYZMQYQJSBJARC-ZANVPECISA-N	215.300	3.170	0	1	BGAF	
CC1=CC[C@H](C(C)=CC[C@@H](O)C(C)(C)O)CC1	2356748082	SMFKOVDEXIFUCB-UONOGXRCSA-N	238.371	3.201	0	1	BGAF	
Oc1cc(O)cc(/C=C/c2ccc(F)cc2)c1	34511033	HUFXCDXXKBCLOZ-OWOJBTEDSA-N	230.238	3.407	0	1	BGAF	
CNc1cc(Cl)cc2c3cc[nH]cc-3nc12	100958191	VJEVFYFCDMIEKE-UHFFFAOYSA-N	231.686	3.363	0	1	BGAF	
CC(C)Nc1nc(NC2CC2)c2ccccc2n1	169337315	JGOKGRZNELDKNH-UHFFFAOYSA-N	242.326	3.024	0	1	BGAF	
C[C@@H]1CC[C@]23C[C@H]1C(C)(C)[C@H]2CC=C3C(=O)O	238757732	TUUKESSNXIIPHQ-SDBHATRESA-N	234.339	3.480	0	1	BGAF	
COc1ccc2c(c1)[C@@H](C)CC[C@]2(O)C(C)C	2356791779	IYMCQDHMNUZFGW-NHYWBVRUSA-N	234.339	3.436	0	1	BGAF	
CCC=CC[C@H](CC)C1=CCN(C)C=C1C(=O)O	2356833582	KHTGHMBACDEAMM-LBPRGKRZSA-N	249.354	3.209	0	1	BGAF	
CC1(C)C[C@H]2[C@H]1CC[C@@]1(C)C[C@]2(C)OC1=O	34455775	MDNLHPALNLCQKL-OAACRXHESA-N	222.328	3.154	0	1	BGAF	
O=C(O)/C(=C/c1ccccc1O)c1ccccc1	40917936	KOWKQDIDRGLQDW-JLHYYAGUSA-N	240.258	3.017	0	1	BGAF	
CO[C@@H]1[C@H](C)CC[C@H]2C(C)=C3CCC[C@]21O3	95486064	MFNGWXIGBXGRPT-MWQHPAIMSA-N	222.328	3.274	0	1	BGAF	biogenic,in-vitro
CC(C)[C@H]1CC[C@]2(C)[C@H]3CC[C@](C)(O)[C@H]2[C@@H]31	104373016	AZCJPMYIWXNBMH-DXUDUQDWSA-N	222.372	3.466	0	1	BGAF	in-man
Oc1ncccc1-c1cc2c3c(cccc3n1)CC2	587212166	LJVWKNGPQNPFGS-UHFFFAOYSA-N	248.285	3.101	0	1	BGAF	
COc1ccc2c(c1)[C]1O[C@H](C)CC1=C(C)N2	2356825640	HTHIUJRSUAXUPD-MRVPVSSYSA-N	230.287	3.084	0	1	BGAF	
CC1=C[C](N)N(Cc2cccc(Cl)c2)C=C1	2356841648	IAFPLVPWPXEEFW-UHFFFAOYSA-N	233.722	3.064	0	1	BGAF	
CN1CC[C@]23CCCC[C@@H]2[C@@H]1Cc1ccccc13	100642650	IHBSVVZENGBQDY-IKGGRYGDSA-N	241.378	3.375	0	1	BGAF	
CC(C)[C@@H]1C[C@@H]2[C@]3(C[C@@H]4C[C@@]42C)C[C@H]1OC3=O	2356784705	PTISNUDEVUCIFZ-HRSNZQSQSA-N	234.339	3.010	0	1	BGAF	
C=C=C[C@@H]1C[C@H]2Oc3cccc(CC)c3[C@@H]2O1	2356794631	LHLMWKHMUMTEJD-UXIGCNINSA-N	228.291	3.181	0	1	BGAF	
O=c1c2ccccc2ncn1/C=C/c1ccccc1	34397878	UVOZYROPWVOTEY-ZHACJKMWSA-N	248.285	3.024	0	1	BGAF	
CC1(C)CCC=C2CO[C@@]3(C)CC[C@@]21O3	100826954	AKKNWGRLXKHQDH-CHWSQXEVSA-N	208.301	3.028	0	1	BGAF	endogenous,in-man
C[C@]12CC[C@H](O)C[C@]1(CN=O)CC=C1CC[C@H]12	169715160	XZYGJOMRMGIKAG-DGAVXFQQSA-N	235.327	3.030	0	1	BGAF	
Cc1cc2[nH]c(C3=CCCC3)nc2c(C)n1	586883292	INLGUOKZFOBZNY-UHFFFAOYSA-N	213.284	3.142	0	1	BGAF	
CCCC/C=C\c1nc2ccc(C)nc2[nH]1	587966503	VDVUEOMUZNXNRB-SREVYHEPSA-N	215.300	3.470	0	1	BGAF	
C[C]1C=CN(Cc2ccccc2F)C=C1	2356850766	AOCSCUUTJSQZCS-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
CC1=CC(C)(C)NC(=O)N1c1ccc(C)cc1	3029664	KICKXEMYHMNFNX-UHFFFAOYSA-N	230.311	3.207	0	3	BGAF	
O=c1c2ccccc2sn1-c1ccc(F)cc1	36389227	LFFVVGVBSRSFRK-UHFFFAOYSA-N	245.278	3.191	0	3	BGAF	
CSC1=N[C@H](c2ccccc2)CS1	5842859	XFLWFNGULCPZSB-VIFPVBQESA-N	209.339	3.194	0	1	BGAF	
CC(C)CNC(=O)/C=C\C=C\Cc1cccs1	14766084	KNGBXFMEGLRFHV-BEHOXYOFSA-N	249.379	3.175	0	1	BGAF	
C/C(=C/CC[C@]1(C)[C@@H]2C[C@H]3[C@@H](C2)[C@]31C)CO	100072581	PDEQKAVEYSOLJX-RCHBNDMJSA-N	220.356	3.387	0	1	BGAF	in-vitro
CSCC(C)(C)c1nc2ccccc2[nH]1	586968288	BSEPGXHJSOZDCG-UHFFFAOYSA-N	220.341	3.204	0	1	BGAF	
C[C@@H](F)c1cc2c3c(cccc3n1)CC2	587210391	QVXNULVPWSAEGI-MRVPVSSYSA-N	201.244	3.364	0	1	BGAF	
C1=C2c3ccccc3CC[C@@H]2N2CCC[C@H]2C1	1772647535	RJJPUPDKQDJCIG-BBRMVZONSA-N	225.335	3.253	0	1	BGAF	
c1cnc(Sc2nccc3ccccc23)nc1	1911581702	WQNOGCQSCMZNTQ-UHFFFAOYSA-N	239.303	3.176	0	1	BGAF	
CC1=C[C@@H](O)[C@H]2[C@H]3[C@H]1[C@@]2(C)CCCC3(C)C	2356539709	XQPMEWZJPNAPBK-NLRWUALESA-N	220.356	3.386	0	1	BGAF	
CCSc1nc(N2CCCC2)s[s+]1	5811622	WYCNDTQJDKFZNR-UHFFFAOYSA-N	233.407	3.198	0	1	BGAF	
CSc1cc(-c2ccc(F)cc2)oc(=O)c1	26842319	MGJOKVPEACOJQS-UHFFFAOYSA-N	236.267	3.168	0	1	BGAF	
CO[C@H]1CCc2cc(-c3cccnc3)ccc2C1	40392836	LPKACSKZPXNEBK-INIZCTEOSA-N	239.318	3.252	0	1	BGAF	
NC[C@H]1[C@H]2CC[C@@H](C2)[C@H]1c1ccc(Cl)cc1	100822687	JGDHOGCSEVVPRV-AUZPSNTRSA-N	235.758	3.428	0	1	BGAF	
Cc1ccc(-c2nc3c(C)nccc3[nH]2)c(F)c1	587146758	VKVUCWHKNFEHLT-UHFFFAOYSA-N	241.269	3.381	0	1	BGAF	
c1cc2c3c(c4c(nc3c1)CSCC4)CC2	587360369	MZIINUAAQUMCNM-UHFFFAOYSA-N	227.332	3.123	0	1	BGAF	
CC(C=CC(=O)O)=C[C@H](C)CCCC[C@H](C)O	2356507597	YAJQQKPCPHMNKD-YPMHNXCESA-N	240.343	3.151	0	1	BGAF	
O[C@@H](c1ccc(OCc2ccco2)cc1)C1CC1	28528881	BDTNMXORQGDGAL-OAHLLOKOSA-N	244.290	3.302	0	1	BGAF	
Nc1nc2c(s1)CCCc1ccc(F)cc1-2	35976304	QFTISIJPKAFNNL-UHFFFAOYSA-N	234.299	3.020	0	1	BGAF	
CC[C@H](Cc1ccc(SC)cc1)N(C)OC	48998262	LATQSQSLSPUYSC-GFCCVEGCSA-N	239.384	3.223	0	1	BGAF	
CCCc1cc(-c2ccc3[nH]ncc3c2)on1	63298315	OHLKBSAOSZPTFS-UHFFFAOYSA-N	227.267	3.170	0	1	BGAF	
C[C@@H]1CCC[C@@H]2[C@@H](O)C[C@@H]3[C@@H](C3(C)C)[C@]21C	95909644	QHNIGCGGGCYOFP-CGNPOWQISA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
CCOc1cc(/C=C/c2ccccc2)oc(=O)c1	167798517	YGFMUHFGGDSDSR-CMDGGOBGSA-N	242.274	3.209	0	1	BGAF	
C[C@H]1CC[C@H]2[C@@H]([C@@H]3[C@H]1CC[C@@]3(C)O)C2(C)C	238756694	HEONDCYMGTYQCB-XTXFXJEVSA-N	222.372	3.466	0	1	BGAF	
C[C@H]1C[C@@H]2CCC[C@@H]3N4CCCC[C@H]4C[C@@H](C1)N23	238775708	YURLNPVZEVJTQP-RFBLXINOSA-N	248.414	3.224	0	1	BGAF	
CC(C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@](C)(O)[C@H]2[C@@H]13	257382664	AZCJPMYIWXNBMH-WCBJTDJXSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
CC[C@H]1CCCC[C@]12NCCc1c(C)ccnc12	963075319	RSZZNRWHPVOXPP-BBRMVZONSA-N	244.382	3.331	0	1	BGAF	
CC1(C)CC(=O)c2c(cc3ccccc3c2O)O1	1772613293	PUUFTLHFKXWRFR-UHFFFAOYSA-N	242.274	3.289	0	1	BGAF	
C/C=C/CCCc1cc(C)c(O)cc1O	1857596046	OHFLRNRIKPFULG-ONEGZZNKSA-N	206.285	3.305	0	1	BGAF	
Cc1c(C)c2c(c3c1CC(=O)N3)[C@@H](C)C[C@H]2C	2356830142	JESVLNYUKFKGLJ-SFYZADRCSA-N	229.323	3.409	0	1	BGAF	
C(CNCc1ccc2c(c1)OCO2)=C1CCCC1	13611611	ZBUMSDQYAGLDLG-UHFFFAOYSA-N	245.322	3.005	0	1	BGAF	
CC1(C)c2ccoc2C[C@@H]2C=C(CO)CC[C@@H]21	15222148	LSFIXRNHHDUYQO-RYUDHWBXSA-N	232.323	3.058	0	1	BGAF	biogenic
N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc(C(F)(F)F)cc12	26281854	RBCLHKCRXOPGGK-QRTLGDNMSA-N	241.256	3.082	0	1	BGAF	
CCCCC[C@@H]1OC(=O)c2ccccc21	28957493	BQUYONPOMYBMQZ-LBPRGKRZSA-N	204.269	3.478	0	1	BGAF	
Cc1coc2c1C[C@]1(C)[C@@H](C)CCC[C@@]1(O)C2	85540902	YGPYHQDJFQOKLN-NILFDRSVSA-N	234.339	3.244	0	1	BGAF	biogenic,in-vitro
C/C(=C/CC[C@@]1(C)C2C[C@H]3[C@H](C2)C31C)CO	100189786	PDEQKAVEYSOLJX-DSVNPXGLSA-N	220.356	3.387	0	1	BGAF	biogenic,in-vitro
Nc1ccc2oc(-c3ccc(CO)cc3)cc2c1	473114414	NNTXGMFDUCZWHX-UHFFFAOYSA-N	239.274	3.174	0	1	BGAF	
Cc1nccc2[nH]c(-c3ccoc3C3CC3)nc12	586902075	USQKMDNENGTBKQ-UHFFFAOYSA-N	239.278	3.404	0	1	BGAF	
C[C]1C=CC(C)=CN1CC(=O)c1ccccc1	2356858674	HZHSZBUUVVGSJU-UHFFFAOYSA-N	226.299	3.197	0	1	BGAF	
COc1ccc2cc(-c3ccncc3)cnc2c1	3832261	NGPCGERQDPJHQQ-UHFFFAOYSA-N	236.274	3.305	0	1	BGAF	in-vivo
c1ccc(N2N=NC[C@H]2c2ccccn2)cc1	26164163	QFESCNZVZTUQFD-ZDUSSCGKSA-N	224.267	3.010	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)C(=O)CC[C@@H]21	29481443	IVLSDDWNIUUOGR-YRORDHRNSA-N	248.366	3.387	0	1	BGAF	
Cc1ccc2c(=O)c3c([nH]c2c1)CC(C)(C)CC3	72108160	FLBNXZGLGGBGCF-UHFFFAOYSA-N	241.334	3.351	0	1	BGAF	
C=C1C(=O)O[C@]23C=C(C)CCC[C@]2(C)CC[C@H]13	14455700	UXTXADQJTURZKJ-YUELXQCFSA-N	232.323	3.385	0	1	BGAF	biogenic
CC(=S)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12	36378564	SOCGROLMYUCUSI-RMPHRYRLSA-N	210.342	3.175	0	1	BGAF	
CC(C)c1cc([C@H](O)C(F)(F)F)ccc1O	84689810	UVTLKMSIFPENPV-JTQLQIEISA-N	234.217	3.111	0	1	BGAF	
Cn1cncc1-c1c[nH]c2ccc(Cl)c(F)c12	1857540115	SIKUUVZOTDTPOO-UHFFFAOYSA-N	249.676	3.361	0	1	BGAF	
CC1=CN(CC(=O)c2ccc(C)cc2)[CH]C=C1	2356817658	AUGPIGKCVKQOCB-UHFFFAOYSA-N	226.299	3.115	0	1	BGAF	
CC(CO)=C1CC[C@]2(C)CCC[C@@](C)(O)[C@@H]2C1	2356826484	HXSBDAXZKKSVDR-QLFBSQMISA-N	238.371	3.037	0	1	BGAF	
Oc1ccc(-c2ccc3cc(O)ccc3n2)cc1	13490103	SEKOFPJLRLFURL-UHFFFAOYSA-N	237.258	3.313	0	1	BGAF	in-vivo
CC(C)[C@@H]1CC[C@@](C)(O)c2ccc(C(=O)O)cc21	14445117	WOURYSLHFFSMAH-XHDPSFHLSA-N	248.322	3.126	0	1	BGAF	biogenic
CC1=C[C@H]2C[C@@H](C)[C@]1(C)C(=O)Cc1ccoc12	14612104	XABYYFYELPVTHX-IFUGULHKSA-N	230.307	3.481	0	1	BGAF	
Cc1ccc(N2N=NC[C@@H]2c2cccnc2)cc1	26167882	DVXPDPBTOLFOBW-CQSZACIVSA-N	238.294	3.319	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1c1ccc(C(F)(F)F)cc1C2	26294572	WOHWQAPSLJHLKN-UPZJHPNMSA-N	241.256	3.082	0	1	BGAF	
COc1cc(O)cc(O/C=C/c2ccccc2)c1	40955045	VULJTSMGGBGNOQ-BQYQJAHWSA-N	242.274	3.451	0	1	BGAF	
c1ccc(C2=N[C@@]3(CCCCO3)CCS2)cc1	169316187	STERWZZRRNVTND-CQSZACIVSA-N	247.363	3.467	0	1	BGAF	
c1cc2c3c(cc([C@@H]4CCCCN4)nc3c1)CC2	587213205	YSFIUWOJTQCOEY-ZDUSSCGKSA-N	238.334	3.148	0	1	BGAF	
CCCCCc1cc(O)cc(O)c1CC	653700492	KNRVWQMPRFENOO-UHFFFAOYSA-N	208.301	3.393	0	1	BGAF	
CCCCCCC(Br)=CC(=O)O	2356603311	FSGDUVOQJQYMNR-UHFFFAOYSA-N	235.121	3.320	0	1	BGAF	
CC(CO)=C1CC[C@]2(C)CCC[C@](C)(O)[C@H]2C1	2356826483	HXSBDAXZKKSVDR-KKUMJFAQSA-N	238.371	3.037	0	1	BGAF	
CCCN1CCC[C@@H](c2cccc(C=O)c2)C1	13738268	UQOWIEJFNPPPBP-OAHLLOKOSA-N	231.339	3.089	0	1	BGAF	
CC1=COC=C[C@]2(C)C[C@H]3OC(=O)C(C)=C3C[C@@H]12	14710502	DMFSWNMSKDPBCG-GZBFAFLISA-N	246.306	3.092	0	1	BGAF	biogenic
Cc1coc2c1C[C@]1(C)[C@H](C)[C@@H](O)CC[C@@H]1C2	15220823	UIWPDJPOLFTUJI-UQFNBPPOSA-N	234.339	3.100	0	1	BGAF	
C/C=C\CC/C=C/C=C/C(=O)NCC(C)C	34294316	OCUXKVCDBHKIIP-QYHQRLDKSA-N	221.344	3.227	0	1	BGAF	
O=c1ccc2cc(-c3ccccc3)c(O)cc2o1	72124331	SFFRDZLSPHLHGQ-UHFFFAOYSA-N	238.242	3.166	0	1	BGAF	
CC(C)CNc1cc(-c2ccccc2F)ncn1	82161364	KITGPWGAROQWRA-UHFFFAOYSA-N	245.301	3.351	0	1	BGAF	
CCCC(=O)O[C@H]1C[C@@]2(C)CC[C@H]1C(C)(C)O2	103219791	OQFYSSZNZWEDQL-UHIISALHSA-N	240.343	3.066	0	1	BGAF	
CCCCCn1c(NC(C)=O)nc2ccccc21	299836055	YGRZQFQJNVKVOL-UHFFFAOYSA-N	245.326	3.185	0	1	BGAF	
CC[C@H](C)c1nc2c(C)nc(C)cc2[nH]1	587956278	QFUGRHPPPTWRBU-ZETCQYMHSA-N	203.289	3.088	0	1	BGAF	
CC1=C[C@@H]2O[C@]3(CO)CCC[C@@]3(C)[C@@]2(C)CC1	14854734	JFZZTCKYMWJCGK-AJNGGQMLSA-N	236.355	3.053	0	1	BGAF	endogenous,in-man
CC1=C2CCC(C)=C2C[C@@H]2[C@H](C1)OC(=O)[C@@H]2C	15264457	CTFVSACKNVWQLE-SWHYSGLUSA-N	232.323	3.385	0	1	BGAF	biogenic
CCCC[C@@H]1[C@@H](O)CCC[C@@]12CCCCN2C	28009937	JQAAYMWQZFOCNY-ILXRZTDVSA-N	239.403	3.192	0	1	BGAF	
O=c1c2ccccc2ncn1/C=C\c1ccccc1	38591743	UVOZYROPWVOTEY-KHPPLWFESA-N	248.285	3.024	0	1	BGAF	
CC1=CC[C@@H]2C(=C1)C(C)=C[C@@H](O)[C@@H]2C(C)C	13299380	NWUMKWIRTFTXBF-BPLDGKMQSA-N	218.340	3.472	0	1	BGAF	biogenic
C[C@@H]1C[C@@]2(C)c3ccccc3C[C@H]([C@@H]2C)N1C	29478438	RWJVTTDOGFCAJS-NOXHYTERSA-N	229.367	3.229	0	1	BGAF	
CC/C=C1\OC(=O)c2c(C)cc(C)cc21	96284712	BHPQQTACMHYMAH-WZUFQYTHSA-N	202.253	3.225	0	1	BGAF	
Clc1cncc2nc(C3=CCCC3)[nH]c12	586883897	MRESACAOGFZABK-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
CC[C@]1(C)C[C@H]1c1nc2cc3c(cc2[nH]1)OCO3	586887712	HMHRPSXMUWAZNY-RMLUDKJBSA-N	244.294	3.195	0	1	BGAF	
CCCCCN1CC[C@@H](c2cccc(O)c2)C1	1857759274	UXQSBUSPGKCLJW-CQSZACIVSA-N	233.355	3.372	0	1	BGAF	
CC(C)=CCN1c2ccccc2NC(=O)C[C@H]1C	1636828	BSRFXWAFIXYGFZ-GFCCVEGCSA-N	244.338	3.190	0	1	BGAF	
c1ccc2c3c([nH]c2c1)-c1nocc1CCC3	73200215	PLFAGKSPACVLLE-UHFFFAOYSA-N	224.263	3.312	0	1	BGAF	
CC1(C)C(=O)CC[C@@]2(C)CC[C@](C)(O)CC=C12	103294794	DTHMBAJOMPWLNV-LSDHHAIUSA-N	236.355	3.243	0	1	BGAF	
CC(C)CCc1ccc2c(C(=O)O)c[nH]c2c1	299831962	PFKIMJBLOPJZNJ-UHFFFAOYSA-N	231.295	3.455	0	1	BGAF	
CC(=O)Nc1c(C)[nH]c2cc(Cl)c(F)cc12	587630892	FBIADRPPUOLCAG-UHFFFAOYSA-N	240.665	3.227	0	1	BGAF	
Cc1cc(C2CCCCC2)n(O)c(=O)c1Cl	1857575239	VRGZIHMZPQKDBU-UHFFFAOYSA-N	241.718	3.095	0	1	BGAF	
CC(C=CC(=O)O)=C[C@H](C)CCCC[C@@H](C)O	2356507591	YAJQQKPCPHMNKD-DGCLKSJQSA-N	240.343	3.151	0	1	BGAF	
CC[C@H](O)/C=C/CCCCCCCC(=O)O	14511116	NSVPCFNUUARRKL-OANVXVOSSA-N	228.332	3.129	0	1	BGAF	endogenous,in-man
C[C@@H]1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)CCC=C[C@@]21C	14827168	XYRPFQSMNZIRED-PRSHDEELSA-N	234.339	3.321	0	1	BGAF	biogenic
Cc1nc(N(C)c2ccccc2)c(C)c(C)c1O	1772602310	WBAMXRKXYIKUHF-UHFFFAOYSA-N	242.322	3.480	0	1	BGAF	
Cc1ccc2c(c1)[C](N)C1=C(CCCCC1)N2	2356820167	FLCOBLVRDVCAAR-UHFFFAOYSA-N	227.331	3.478	0	1	BGAF	
Clc1ccc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1	28528816	SRJJMFYWQLESEK-ZJUUUORDSA-N	244.725	3.062	0	1	BGAF	
CN[C@@H]1C[C@H](Oc2ccccc2)c2ccccc21	40833724	WNSBUBHOLORHPN-CVEARBPZSA-N	239.318	3.471	0	1	BGAF	
Oc1cccc2c1CC[C@H]1[C@H]2[C@@H]1c1ccncc1	100025651	GHVIXHADLSTRNY-BMFZPTHFSA-N	237.302	3.231	0	1	BGAF	
CC(C)(C)C(=O)N1CCS[C@@H]1c1ccccc1	1857556646	XSCNYCNANXCOJK-GFCCVEGCSA-N	249.379	3.307	0	1	BGAF	
CC1(C)C[C@@H]2[C@@H]1CC[C@]13CC[C@@]21CC[C@@H]3O	2356351689	DFBIFSIVSFAGEV-CUZKYEQNSA-N	220.356	3.364	0	1	BGAF	
CCCN(CCC)CCc1ccc(F)c(O)c1	26489832	ZVROUTUQLJOEKS-UHFFFAOYSA-N	239.334	3.196	0	1	BGAF	
C[C@H]1Cc2cc(Cl)ccc2-n2ccc(=O)cc21	27204380	GMJHHNMMSMCSKC-VIFPVBQESA-N	245.709	3.151	0	1	BGAF	
C[C@@H](CCCCCCCC(=O)O)CCC(=O)O	38789153	KKWNWFFSNXXEFH-NSHDSACASA-N	244.331	3.303	0	1	BGAF	
CN(C)[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@@H]1C2	100954920	COWDKPMELZNFIV-XPKDYRNWSA-N	227.351	3.430	0	1	BGAF	
CCn1cncc1-c1c[nH]c2ccc(OC)cc12	1857646616	WPSIPVCJWLGMEF-UHFFFAOYSA-N	241.294	3.060	0	1	BGAF	
C[C@@H]1CCC[C@@]2(O)[C@@H]1[C@H]1CC[C@@]2(C)OC1(C)C	2356713430	IMOIQZWBHGLKFZ-GGUBGCTKSA-N	238.371	3.131	0	1	BGAF	
CC(C)CCC[C@](C)(O)c1ccc(CO)cc1	2356717710	VWMRQVRLVIZTJQ-HNNXBMFYSA-N	236.355	3.213	0	1	BGAF	
Cc1cc(C(C)C)[n+](-c2ncc[nH]2)c(C(C)C)c1	13472123	KTZTXFZFNHUYEY-UHFFFAOYSA-N	244.362	3.242	0	1	BGAF	
CCCc1ncc(N)c2c1[nH]c1ccccc12	13587089	IINIPERZDBETGG-UHFFFAOYSA-N	225.295	3.251	0	1	BGAF	
c1ccc(N2[C@@H]3[C@H]4C[C@@H]([C@H]5CCC[C@@H]54)[C@H]32)cc1	104292285	YFWARTKNDZZMCY-OSLXHZNNSA-N	225.335	3.310	0	1	BGAF	
Cc1n[nH]c2ccnc(Nc3ccccc3F)c12	113882749	LXMIMRIGYVEFSW-UHFFFAOYSA-N	242.257	3.149	0	1	BGAF	
O=C1c2ccccc2-c2c(O)ccc3ccnc1c23	238771645	UOKXLSHFAPGFDS-UHFFFAOYSA-N	247.253	3.152	0	1	BGAF	
C/C=C/[C@@H]1C[C@H](OC(C)=O)c2cc(C)ccc2O1	238774030	UJBLFMCIUSMFDE-WNTXTPNSSA-N	246.306	3.326	0	1	BGAF	
C[C@@H]1CCC(=O)[C@@]2(C)C[C@@H]2CC(C)(C)CC1=O	13376886	KNPZDKSAZHSFTN-ZETOZRRWSA-N	236.355	3.387	0	1	BGAF	biogenic
c1ccc2c(c1)CC[C@@H](Cc1ccncc1)C2	13736327	FDLCMFYBJRLDLN-AWEZNQCLSA-N	223.319	3.429	0	1	BGAF	
Cc1oc(=O)cc2c1CC(C)(C)C[C@@H]1C[C@@]21C	14694979	PWSPHWLLNDWGKG-MEBBXXQBSA-N	232.323	3.198	0	1	BGAF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@@]1(C)C=CC=C(C)[C@H]21	15208022	MKOHVWLOSUZFFH-RGCMKSIDSA-N	230.307	3.017	0	1	BGAF	biogenic
C1CCN(C23C[C@H]4CC2C[C@@H](C4)C3)CC1	101684349	MPCPLRFLUHEXCX-IWMBGFJWSA-N	205.345	3.051	0	1	BGAF	
Nc1ccc2c(c1)[C@H](N=O)c1ccccc1-2	169693338	PPTBRYIYIDOUJM-CYBMUJFWSA-N	210.236	3.105	0	1	BGAF	
CC1=C2[C@H](C[C@@H]3CCC[C@@H]4CC[C@H]2[C@@]34C)OC1=O	2356462621	YOLUHJBWUANMDW-QCPCCJPKSA-N	246.350	3.465	0	1	BGAF	
CC1=CC[C@H]([C@@H](C)CC=CC(C)(C)O)C(=O)C1	2356508638	LPCOTPYTCRTQIU-QWHCGFSZSA-N	236.355	3.265	0	1	BGAF	
C=C(C)C=Cc1cc2ccc(=O)oc2cc1OC	13398267	GHVNFLHFOPJJNP-UHFFFAOYSA-N	242.274	3.391	0	1	BGAF	biogenic
N[C@H]1[C@@H]2CC[C@@H]1c1ccc(C(F)(F)F)cc1C2	100698588	WOHWQAPSLJHLKN-HFKOZYHYSA-N	241.256	3.082	0	1	BGAF	
c1ccc2c(c1)[C@H]1CC[C@H]2N2CCCC[C@H]12	100718081	XUWUJNGIAHFEKU-RBSFLKMASA-N	213.324	3.473	0	1	BGAF	
N[C@@H]1C[C@@H]2C[C@@H]1c1cccc(C(F)(F)F)c12	100819954	ZLFRPMHJVVIOIV-SKWCMTHISA-N	227.229	3.007	0	1	BGAF	
Nc1ccc([C@@H]2Nc3ccccc3S2)cc1	197342345	IBRRZTGUUKKJTF-CYBMUJFWSA-N	228.320	3.485	0	1	BGAF	
Oc1ccc2c(-c3ccc(O)c(F)c3)noc2c1	3819172	VUKZORIGDKQPQQ-UHFFFAOYSA-N	245.209	3.045	0	1	BGAF	
CCCN(CCC)[C@H]1Cc2cccc(OC)c2C1	13471356	UJEXCOYXKFZVRX-AWEZNQCLSA-N	247.382	3.284	0	1	BGAF	
CC(=O)c1cccc(-c2cnc3[nH]ccc3c2)c1	63298394	IJRBJCMLWLFMIN-UHFFFAOYSA-N	236.274	3.433	0	1	BGAF	
CC(C)c1cccc(C(C)C)c1CC1=NCCN1	95558479	DKKUTAXDUDGAMK-UHFFFAOYSA-N	244.382	3.478	0	1	BGAF	
C/C=C1/[C@@H]2C=C(C)C[C@@H]1c1ccc(O)nc1C2	100838847	PTZJKZAGQUPZHZ-REJPBLNOSA-N	227.307	3.339	0	1	BGAF	
CC1(C)C2=CC[C@@](C)(O)CC[C@]2(C)CC[C@H]1O	103293436	XDZXXSCVVPIKAI-VHDGCEQUSA-N	238.371	3.035	0	1	BGAF	
Oc1cccc2c1CC[C@@H]1[C@H](c3ccncc3)[C@@H]21	169317707	GHVIXHADLSTRNY-KBMXLJTQSA-N	237.302	3.231	0	1	BGAF	
CC(C)[C@H]1C[C@]2(C)[C@H]3CC[C@@](C)(NC=O)[C@@H]2C[C@H]31	238787003	PDLPLWDSKGNXJE-LFTMDZKFSA-N	249.398	3.219	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCC1(C)C)O2	587406441	RAWGFRGVPPBXHO-HNNXBMFYSA-N	245.322	3.101	0	1	BGAF	
CC1(C)C=CC[C@@]2(C)OCC(=CC1)CC[C@@H]2O	1857749610	AJHJYINTDZGJGY-DZGCQCFKSA-N	236.355	3.219	0	1	BGAF	
COc1ccc(C=CCO)cc1OCC=C(C)C	2356744240	OHYNDJJEQNDIQL-UHFFFAOYSA-N	248.322	3.046	0	1	BGAF	
C[C@H]1CC[C@@H]2c3c(c(C(=O)O)cc(O)c31)C[C@@H]2C	14689188	MLNIJTRDXCDNQZ-CIUDSAMLSA-N	246.306	3.264	0	1	BGAF	
C[C@@H]1CCC(=O)[C@@H]2C=C[C@@H]3[C@@H](C3(C)C)[C@@]12C	145477568	FBJLFFATMTVRLU-LIIPTPMRSA-N	218.340	3.450	0	1	BGAF	
Fc1cnc(Cl)c2[nH]c(C=C3CCC3)nc12	587965758	WULZGRLRZYETSL-UHFFFAOYSA-N	237.665	3.318	0	1	BGAF	
CC1=N[C@@](C)(C23CC4CC(CC(C4)C2)C3)CO1	1857652872	AGAUCWQRLPJTNB-WRHSUISWSA-N	233.355	3.410	0	1	BGAF	
CC1=C2[C@H](C[C@@H]3CCC[C@@H]4CC[C@@H]2[C@@]34C)OC1=O	2356462620	YOLUHJBWUANMDW-FDZNKFEOSA-N	246.350	3.465	0	1	BGAF	
CC=C(C)C=C(C)c1cc(=O)c(C)c(OC)o1	2356491380	IZRINGWNLKDKBD-UHFFFAOYSA-N	234.295	3.326	0	1	BGAF	
CC1=C2[C@H]3OC(=O)[C@H](C)[C@H]3CC[C@@H](C)[C@H]2CC1	2356534635	OCPXKGAHCXKMKP-PDOXLSOOSA-N	234.339	3.321	0	1	BGAF	
Cc1ccc([C@@]2(C)C[C@H](O)CC2(C)C)cc1	13412399	SRSPZMSNYAVIMD-UKRRQHHQSA-N	218.340	3.434	0	1	BGAF	biogenic
CCCCCc1nccnc1SCC	26718890	MBFGUEWRWPOKQU-UHFFFAOYSA-N	210.346	3.321	0	1	BGAF	
Cc1cc2occ(C)c2c2oc(=O)ccc12	27997113	SYNCKGPPLJHSSM-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
Cc1cc2c(cc1O)[C@@]1(C)CCC(=O)C[C@H]1CC2	95486095	CBDLZRQBPRHLPM-WBMJQRKESA-N	244.334	3.274	0	1	BGAF	biogenic,in-vitro
CC[C@H](O)c1nc2cccc(C(C)(C)C)c2[nH]1	586901156	PYTGRUUWVFVZQP-NSHDSACASA-N	232.327	3.304	0	1	BGAF	
CC1=CC=C[CH]N1Cc1ccccc1F	2356848263	MHMMJJLRPUBSTC-UHFFFAOYSA-N	202.252	3.263	0	1	BGAF	
COCCCCCCCCC/C=C/C(=O)O	6482891	JEJQBJWFMRKQJY-PKNBQFBNSA-N	228.332	3.394	0	1	BGAF	
O=C1c2cccc(-c3ccco3)c2-n2cccc21	29236735	HXAAPSXMHKWUAU-UHFFFAOYSA-N	235.242	3.282	0	1	BGAF	
Nc1nc2ccccc2c2cc(C3CC3)oc12	96914088	RITRCOMGVORLAH-UHFFFAOYSA-N	224.263	3.441	0	1	BGAF	
Oc1cccc2nc(C3(F)CCCCC3)[nH]c12	587132526	RXVHUIFQTQGREE-UHFFFAOYSA-N	234.274	3.397	0	1	BGAF	
C/C(=C\CC[C@]1(C)[C@H]2C[C@H]3[C@@H](C2)[C@]31C)C(=O)O	957838169	NZSCHTYUGUVLHG-VVDNLLFTSA-N	234.339	3.480	0	1	BGAF	
c1ccc(C[N@]2C[C@@H]2c2ccccc2)cc1	1857769437	DFFUVKYEPUBJTB-HZPDHXFCSA-N	209.292	3.244	0	1	BGAF	
CC/C=C\c1cc2ccccc2c(=O)o1	5574938	DHKBMMCQVXFEJY-CLTKARDFSA-N	200.237	3.216	0	1	BGAF	endogenous,in-man
Nc1nc2ccc(-c3cccc(O)c3)cc2s1	66251436	RHVQMWASYJPMIL-UHFFFAOYSA-N	242.303	3.251	0	1	BGAF	
C/C=C(/C)C(=O)O[C@H]1[C@@H]2CC=C(C)[C@H]1C2(C)C	231222718	XBIYGXBPWHLVBE-AEWFINTESA-N	234.339	3.487	0	1	BGAF	
CC(C)[C@H]1C[C@@]2(C)[C@H]3CC[C@@](C)(NC=O)[C@H]2C[C@H]31	2356395389	PDLPLWDSKGNXJE-PLZKBRGSSA-N	249.398	3.219	0	1	BGAF	
C=Cc1ncc(OC)c2c1[nH]c1cccc(O)c12	238747806	DEXMYEKLUYZMNB-UHFFFAOYSA-N	240.262	3.073	0	1	BGAF	
CC(C)[C@H]1CC[C@@](C)(O)[C@H]2[C@H]3C[C@@H](C)C[C@]213	2356443883	CKZXONNJVHXSQM-OJVARPOJSA-N	222.372	3.466	0	1	BGAF	
Cc1noc(O)c1Cc1cccc2ccccc12	27704184	DBCKIFWQBTYBDL-UHFFFAOYSA-N	239.274	3.433	0	1	BGAF	
CCCC/C=C\c1nc2ccc(OC)nc2[nH]1	587966239	TVWPKHFCGAUWJN-SREVYHEPSA-N	231.299	3.170	0	1	BGAF	
Oc1cccc2c1CC[C@H](Cc1ccncc1)C2	13736351	WPBWKLWEIPQUBK-CYBMUJFWSA-N	239.318	3.135	0	1	BGAF	
CCc1ccc2[nH]cc(CCN3CCCC3)c2c1	29463834	PWLIYMBPGFVKOO-UHFFFAOYSA-N	242.366	3.369	0	1	BGAF	in-vivo
CC[C@]1(CC(=O)O)CCc2c1[nH]c1ccccc21	169340585	UITHSNZKHRVQDS-OAHLLOKOSA-N	243.306	3.237	0	1	BGAF	
CC/C=C\C=C/C=C\C[C@H](OC)[C@H](C)NC	238739269	OZYMABBRNUUXQX-KHOGVTMDSA-N	223.360	3.078	0	1	BGAF	
Cc1ccc(-c2nc3cncc(C)c3[nH]2)c(F)c1	587146498	NWIAFXIFLCXZAS-UHFFFAOYSA-N	241.269	3.381	0	1	BGAF	
Nc1ccc(/C=C/c2cccc(O)c2)cc1	20230874	HFGRZDUKLOOKNA-SNAWJCMRSA-N	211.264	3.145	0	1	BGAF	
CCCCc1ccc([C@H]2CCCN2C)cn1	26817826	UVPSJZOMAYWEBU-CQSZACIVSA-N	218.344	3.191	0	1	BGAF	
C[C@@]12Cc3ccccc3C[C@@H](N1)c1ccccc12	28756907	VENMDTASYKCGRV-SJORKVTESA-N	235.330	3.345	0	1	BGAF	
CC1(C)C(=O)CC[C@@H]2[C@@H]1CC[C@]1(C)C(=O)CC[C@H]21	40373961	IVLSDDWNIUUOGR-JBBSTSQOSA-N	248.366	3.387	0	1	BGAF	
CC[C@@H](C)c1nc2cc(Cl)ncc2[nH]1	587955431	JBHVGGILQOKNJN-ZCFIWIBFSA-N	209.680	3.125	0	1	BGAF	
CC(C)CC=C1C(=O)Nc2ccccc21	2356440508	DYXCXHPWXCFBHM-UHFFFAOYSA-N	201.269	3.068	0	1	BGAF	
Cc1cccc2c1[S@@](=O)c1ccccc1O2	13779741	LUEZHHVAYCCXKH-MRXNPFEDSA-N	230.288	3.267	0	1	BGAF	
Cc1c(OC(=O)N(C)C)ccc2ccccc12	84706324	ZPZNPECUUZEXEV-UHFFFAOYSA-N	229.279	3.209	0	1	BGAF	
CC(=O)c1c(C(F)F)[nH]c2cccc(F)c12	587633573	GXDKVWBRZZQATJ-UHFFFAOYSA-N	227.185	3.447	0	1	BGAF	
Cc1cc(C)[n+](C2C3CC4CC(C3)CC2C4)o1	387797	OJLIOAQEPDBLBS-UHFFFAOYSA-N	232.347	3.181	0	3	BGAF	
Cc1cc(C)n2nc(Nc3ccccc3)cc2n1	3074305	YPPYKGDEXRKFMA-UHFFFAOYSA-N	238.294	3.090	0	3	BGAF	
CN1C(=O)C2(CCCCC2)[C@H]1c1ccccc1	61943149	DTARYIWXIIMQEW-CYBMUJFWSA-N	229.323	3.150	0	3	BGAF	
CSC(=O)N(C)CCc1c[nH]c2ccccc12	1661722	ASGGNXXOFLVYSB-UHFFFAOYSA-N	248.351	3.125	0	1	BGAF	biogenic
CN[C@H](Cc1ccccc1N)c1ccc(C)s1	13738492	MUZDTHXTSXTYCK-CYBMUJFWSA-N	246.379	3.142	0	1	BGAF	
CC(C)[C@H]1CC[C@@](C)(O)c2ccc(C(=O)O)cc21	14445119	WOURYSLHFFSMAH-IAQYHMDHSA-N	248.322	3.126	0	1	BGAF	biogenic
Cc1ccc2cnc(-c3ccccc3)nc2n1	28826496	KWVJWWRUSUZAGY-UHFFFAOYSA-N	221.263	3.000	0	1	BGAF	in-vivo
C(=C1\CCCN=C1c1cccnc1)\c1ccc[nH]1	38764780	VXCPXMSTSWKZMK-ZRDIBKRKSA-N	237.306	3.076	0	1	BGAF	
Oc1cc(Cl)ccc1Oc1cccnc1	64479890	FMTNLZVQTURSGP-UHFFFAOYSA-N	221.643	3.233	0	1	BGAF	
COc1cc(O)cc(-c2ccccc2OC)c1	64513022	DRLGTGZTVHFNOU-UHFFFAOYSA-N	230.263	3.076	0	1	BGAF	
O=C(O)CCC[C@@H]1C[C@@H]2[C@@H]3[C@H]4[C@H]5CC[C@H]5[C@H]4[C@H]3[C@@H]21	231930488	ZDWWCRQXNJGGFF-WOBCBYIJSA-N	246.350	3.025	0	1	BGAF	
FC(F)(F)c1csc(Nc2ccccn2)n1	621429404	YUWQBPVBMAYWIK-UHFFFAOYSA-N	245.229	3.301	0	1	BGAF	
C(=C/c1ccccc1-c1ccccc1)\C1=NCCN1	1772588408	NMFQSMFQSTTXQO-ZHACJKMWSA-N	248.329	3.369	0	1	BGAF	
CCC=CC[C@@H](CC)[C@@H]1C=CN(C)C=C1C(=O)O	2356783683	LWXSDJOSDFNHLY-OLZOCXBDSA-N	249.354	3.413	0	1	BGAF	
CSC(=O)N(C)C=Cc1ccccc1	14614012	RETURNBTBXSONZ-UHFFFAOYSA-N	207.298	3.072	0	1	BGAF	biogenic
CC1=C[C@H]2Cc3occc3C(C)(C)[C@H]2C[C@@H]1O	15222128	QKJRXNJQIGSRPJ-DRZSPHRISA-N	232.323	3.057	0	1	BGAF	
Cc1cn2c(OCc3ccccc3)cccc2n1	26173806	IGHCWVIDKREEKN-UHFFFAOYSA-N	238.290	3.222	0	1	BGAF	
O=C1C=CC[C@@H](c2ccc3ccccc3c2)O1	34605697	UNSFYAHOHKSKEM-AWEZNQCLSA-N	224.259	3.384	0	1	BGAF	
CCCN1CCC[C@@H]2c3cccc(O)c3CC[C@H]21	58522933	ANYSYRVXKLTFPB-UKRRQHHQSA-N	245.366	3.296	0	1	BGAF	
c1ccc(CNC23C[C@H]4CC(C[C@@H](C4)C2)O3)cc1	101509533	YRARHZZXNYBCEZ-WXLSXGNJSA-N	243.350	3.081	0	1	BGAF	
CC1(C)C[C@@H]2C(CO)=CC[C@H]2[C@]2(C)C[C@@H]2C1	166487022	OABSLMXYOJOEBH-KYEXWDHISA-N	220.356	3.387	0	1	BGAF	
CC1=CC[C@@H]([C@H](C)C/C=C/C(C)(C)O)C(=O)C1	238738789	LPCOTPYTCRTQIU-PIPQINALSA-N	236.355	3.265	0	1	BGAF	
O=C(O)C[C@]1(c2ccc(F)cc2)C[C@H]2CC[C@H]1C2	254128337	LLNOJCXJWAPFDE-WBIUFABUSA-N	248.297	3.358	0	1	BGAF	
CCCNc1cc(N)cc(C(F)(F)F)c1	299836797	HUKFUJQDKDXPRG-UHFFFAOYSA-N	218.222	3.110	0	1	BGAF	
CCCC/C=C/c1nc2cnc(Cl)[nH]c-2n1	587966882	YZDWGMBIRVPQND-AATRIKPKSA-N	236.706	3.161	0	1	BGAF	
C/C(=C\c1nc2ncc[nH]c-2n1)C1CCCCC1	587967216	IRGLPNRZQXPLGO-MDZDMXLPSA-N	242.326	3.288	0	1	BGAF	
Clc1ccnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12	587967831	SYBOXRDCBWYTTL-DJLDLDEBSA-N	245.713	3.291	0	1	BGAF	
Cc1ccc(C)c2cc(C(C)(C)O)c(O)cc12	15151139	YKSYPXGCQRATJS-UHFFFAOYSA-N	230.307	3.390	0	1	BGAF	biogenic,in-vitro
CCCCCOc1ccccc1[C@H]1C[C@@H]1CN	84559264	PSCVKVWSYZHSOU-OCCSQVGLSA-N	233.355	3.318	0	1	BGAF	
C[C@@H]1CC[C@H]2C[C@@H]3C(=O)CC[C@@]31C2(C)C	103146600	BRHRYZRSQMWNQN-DEKYYXRVSA-N	206.329	3.428	0	1	BGAF	
CCC/C=C/C=C/CNC[C@H](O)CCCCC	14616356	IPGLKLMWYXMYAB-HNYVXQBRSA-N	239.403	3.430	0	1	BGAF	
Cc1ccc(O)c([C@]2(C)CCC[C@@]2(C)CO)c1	15273669	AOYZAQMDZPHFIS-GJZGRUSLSA-N	234.339	3.141	0	1	BGAF	biogenic
O=C1C[C@H]2CCC[C@](Oc3cccc(O)c3)(C1)C2	101219339	AWSUVPXTHHRVQU-IAQYHMDHSA-N	246.306	3.063	0	1	BGAF	
Cc1c(-c2ccn(C)n2)nc2cccc3c2c1CC3	587211474	RJWUTUGOEARTPO-UHFFFAOYSA-N	249.317	3.042	0	1	BGAF	
COC(=O)C1=C(c2ccccc2)C[C@H]2CC[C@@H]1C2	26816165	BXNXEXWOZMNHST-WCQYABFASA-N	242.318	3.433	0	1	BGAF	
NC[C@H]1[C@@H](c2cccc(Cl)c2)[C@H]2CC[C@@H]1C2	28000505	IRNIZNAXVXVLJU-MWQHPAIMSA-N	235.758	3.428	0	1	BGAF	
COc1ccc(-c2nc3ccc(F)nc3o2)cc1	95563762	SETSXKGVAMQUJO-UHFFFAOYSA-N	244.225	3.038	0	1	BGAF	
NC12C[C@H]3CC(C[C@@H](C3)C1)C21CCCCC1	103027320	KZSATBXDAFGSHG-SIUPQYRZSA-N	219.372	3.474	0	1	BGAF	
O=C1CCCC=C(Cl)N1c1ccccc1	299838835	OEGDLSLGWVQKIZ-UHFFFAOYSA-N	221.687	3.284	0	1	BGAF	
CC(C)C(=O)O[C@@H]1C[C@H]2CC[C@H]1C2(C)C	2356765608	DETIUJFRMROGKX-GMTAPVOTSA-N	210.317	3.010	0	1	BGAF	
C[C@@H]1CC[C@]2(N)[C@H](C)CC[C@@H]3[C@H]([C@@H]12)C3(C)C	2356786206	ZKBVUQVTVPCLNT-RWXDJMAFSA-N	221.388	3.432	0	1	BGAF	
CC(C)=CCC/C(C)=C/CCc1cn[nH]n1	29126174	JARBAQOQUONQQL-XYOKQWHBSA-N	219.332	3.430	0	1	BGAF	
C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C)[C@H]3C=C12	39120955	UHXFRFWUSTUALX-CTFUPSTPSA-N	234.339	3.321	0	1	BGAF	
COc1ccc(CN2C=CC=C/C2=C/N=O)cc1	212906182	WOBZIRMJQKIWCB-RAXLEYEMSA-N	242.278	3.189	0	1	BGAF	
CC[C@H](C(C)C)[C@@]1(C)NCCc2c(C)ccnc21	963083487	CKIZINQQCLNFHA-GDBMZVCRSA-N	246.398	3.433	0	1	BGAF	
CC1=C[C@H](O)[C@@H]2[C@@H]3[C@H](C(C)C)CC[C@]2(C)[C@@H]13	1772571105	LTXWSWWXNHYXCW-XDSHMYFISA-N	220.356	3.242	0	1	BGAF	
C=COCCN1Cc2cc3ccccc3cc2C1	2130774	DSTLDMWWQRHZPL-UHFFFAOYSA-N	239.318	3.316	0	1	BGAF	biogenic
c1ccc(C2=N[C@H]3O[C@@H]2c2ccccc23)cc1	5940206	SUHOFGLAPMQIEI-CABCVRRESA-N	221.259	3.259	0	1	BGAF	
CCCCOc1cc2nncn2c2ccccc12	40897793	YGWSYFFSZYJSLC-UHFFFAOYSA-N	241.294	3.061	0	1	BGAF	
CCNc1cc2c3ccccc3nc-2c[nH]1	100683027	QGPYDBWEJDHSAF-UHFFFAOYSA-N	211.268	3.100	0	1	BGAF	in-vivo
CCCCC[C@H](C)[C@@]1(C)SC(=O)[C@@H](C)C1=O	169719218	PAEKPHDFBYRRMM-OUJBWJOFSA-N	242.384	3.440	0	1	BGAF	
CC[C@@]1(C)C[C@@H]1c1nc2ccc(OC)cc2[nH]1	586885853	AHIUHMIFOVRLLW-YGRLFVJLSA-N	230.311	3.475	0	1	BGAF	
CC=C[C@H]1C[C@@H](OC(C)=O)c2cc(C)ccc2O1	2356696821	UJBLFMCIUSMFDE-SWLSCSKDSA-N	246.306	3.326	0	1	BGAF	
O=[N+]([O-])c1ccc2[nH]c(-c3cccnc3)cc2c1	1518987	LABFCVGCDBXXHY-UHFFFAOYSA-N	239.234	3.138	0	1	BGAF	
CC[C@@H](C)Cc1cccc([C@@H](C)C(=O)O)c1	28467400	MKEVMCJZLHDVPO-GHMZBOCLSA-N	220.312	3.463	0	1	BGAF	in-vivo
CC1(C)CCC[C@]2(C)[C@H]3[C@H]4C[C@@]12[C@H](O)[C@]43C	35028807	VGVDZHYEJGNHEE-NNKNWFAJSA-N	220.356	3.220	0	1	BGAF	
COc1cc(-c2ccc(C)s2)ccc1C(=O)O	73156797	GFKGKFLBULAHDP-UHFFFAOYSA-N	248.303	3.430	0	1	BGAF	
COc1ccc(CN2C=CC=C/C2=C\N=O)cc1	139441225	WOBZIRMJQKIWCB-JLHYYAGUSA-N	242.278	3.189	0	1	BGAF	
C1=CN2C[C@@H](c3cc4ccccc4o3)N=C2S1	197079537	PVAHZDKTBKKNHV-JTQLQIEISA-N	242.303	3.364	0	1	BGAF	
COc1ccc2ccc(=O)oc2c1/C=C\C(C)C	210911783	QQWKWTAYQQZAMH-DAXSKMNVSA-N	244.290	3.471	0	1	BGAF	
CC1=C[C@]2(C)[C@H](O)C[C@H]3[C@H](C)CC[C@]32[C@H]1C	231159456	KACKPLUHPMMFBK-VLDCTWHGSA-N	220.356	3.386	0	1	BGAF	
CC1=C2[C@@H](CC1)[C@@H](C)CC[C@H]1[C@H](C)C(=O)O[C@H]21	238764737	OCPXKGAHCXKMKP-QMPJVZAXSA-N	234.339	3.321	0	1	BGAF	
Clc1cnc2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1	587966357	DBEUEPRDCZUTRV-QXFUBDJGSA-N	245.713	3.291	0	1	BGAF	
Oc1cccc2c1CC[C@@H]1[C@H](c3ccncc3)[C@H]21	13741600	GHVIXHADLSTRNY-VNQPRFMTSA-N	237.302	3.231	0	1	BGAF	
CC1=CC(=O)[C@H]([C@H](C)CCC[C@H](C)CO)CC1	14859933	MAXNBGSKPQFIED-MJBXVCDLSA-N	238.371	3.347	0	1	BGAF	biogenic
Cc1cc([C@H]2CC=CCNC2)ccc1Cl	95584930	KRNOLRHDBBTXOP-LBPRGKRZSA-N	221.731	3.282	0	1	BGAF	
CC(C)[C@H]1CC[C@]2(C)[C@@H]3CC[C@@](C)(O)[C@@H]2[C@@H]13	100782066	AZCJPMYIWXNBMH-QAUDVVSPSA-N	222.372	3.466	0	1	BGAF	endogenous,in-man
C[C@H]1[C@H]2Cc3ccc(Cl)cc3[C@@]1(C)CCN2C	169346430	FTTCEEYYBVQKOM-VQISRLSMSA-N	249.785	3.494	0	1	BGAF	
COc1cc(-c2ccccc2)c2cn[nH]c2c1	653845493	YYZBXLHPDIWNHC-UHFFFAOYSA-N	224.263	3.239	0	1	BGAF	
CC1(C)C[C@@H]1c1[nH]c2ccccc2c1C=O	2356325738	ZQLVSTSSSSJZFX-LLVKDONJSA-N	213.280	3.494	0	1	BGAF	
CC(C)[C@@H]1C[C@@]2(C)[C@H](CC1=O)C(=O)CC[C@H]2C	2356801536	RORXDJQKHFUGBV-NWJSVONSSA-N	236.355	3.243	0	1	BGAF	
CC1=CCC[C@]2(C)[C@H]1C(=O)O[C@H]2c1ccoc1	5964431	CKJJQJLXFWVISP-MBNYWOFBSA-N	232.279	3.240	0	1	BGAF	biogenic
C/C=C/CCCCC(=O)[C@@H](C)C(=O)n1cccc1	14593224	MFOAMJSIPLCVDH-ITDFMYJTSA-N	247.338	3.470	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@@]2(C)CCC=C2CC(=O)C1	34606745	OCPMBSGYTVUCJD-IAQYHMDHSA-N	236.355	3.243	0	1	BGAF	
CCCC1=NN(C(=O)OCC)[C@@H](CCC)N=N1	40632187	GRWRDLSKWVDYEE-JTQLQIEISA-N	240.307	3.151	0	1	BGAF	
O=C1NCc2cccc(-c3c[nH]c4ccccc34)c21	40846288	MYQLQOMVXJVWJX-UHFFFAOYSA-N	248.285	3.078	0	1	BGAF	
CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]3CC[C@](C)(O3)[C@@H]2C1	200558678	NEAFXVXDYNEEDN-PRSHDEELSA-N	238.371	3.131	0	1	BGAF	
CC1(C)CCC[C@@]23CO[C@H]4OCC(=CC[C@H]12)[C@H]43	238734412	VPPKLPHBKTZWEF-RGCMKSIDSA-N	234.339	3.132	0	1	BGAF	
Cc1nccc(Nc2cccc3cccnc23)n1	299869868	VNGXNUGXCQEHFB-UHFFFAOYSA-N	236.278	3.077	0	1	BGAF	
C[C@@H]1CCC[C@@H]2[C@H](O)C[C@@H]3[C@H](C3(C)C)[C@@]21C	2356732446	QHNIGCGGGCYOFP-QTPLKFIXSA-N	222.372	3.466	0	1	BGAF	
CC1=C2C(=C(C)CC[C@H]3[C@@H](C)C(=O)O[C@@H]23)C=C1	15264817	RXFYVUSLXOCLFO-SCDSUCTJSA-N	230.307	3.161	0	1	BGAF	
CN1CCC[C@@H]1c1cc(Cc2ccccc2)no1	27519459	SJAJVNLJYJLUON-CQSZACIVSA-N	242.322	3.032	0	1	BGAF	
CCC(=O)OCC[C@@H]1[C@@H]2CC[C@@H](C2)C1(C)C	29042484	JWIVMIHVUHDBRA-GRYCIOLGSA-N	224.344	3.402	0	1	BGAF	
CCC[C@@H]1c2cc(OC)c(OC)cc2CCN1C	40575571	HONMIEJXWJAENG-CYBMUJFWSA-N	249.354	3.033	0	1	BGAF	
CCCCNc1ncc(-c2ccc(F)cc2)[nH]1	72106745	JWNBKZYJHOPBRW-UHFFFAOYSA-N	233.290	3.428	0	1	BGAF	
Cc1cccc2[nH]c(C(C)(C)Cl)nc12	115298344	XCPPEZIZNJSVAF-UHFFFAOYSA-N	208.692	3.345	0	1	BGAF	
CC1=CCc2nc3cccc4c3c(c2C1)CC4	587215936	XCWMJWKRCLBFNS-UHFFFAOYSA-N	221.303	3.378	0	1	BGAF	
Cc1nccc2[nH]c([C@@H]3CC=CC[C@H]3C)nc12	587968314	ZCKRVHANBHAQOB-MWLCHTKSSA-N	227.311	3.336	0	1	BGAF	
CCCC[C@@H](CC)[C@@H]1NC(=O)c2ccccc2N1	72170692	YYUQLDLABXPGOV-RISCZKNCSA-N	246.354	3.384	0	1	BGAF	
CC(C)c1nc2cc3c(cc2o1)[C@@H]1CNC[C@@H]3C1	101058034	JHFTWXCZLKAESI-UWVGGRQHSA-N	242.322	3.125	0	1	BGAF	
Fc1ccc(CNC23C[C@@H]4CC2C[C@H](C4)C3)cc1	101513154	BVRAEKLZOJPYNK-ILGZHXLLSA-N	245.341	3.494	0	1	BGAF	
CC(=O)CC[C@@H]1C(=O)CC(C)(C)C[C@H]2C[C@]21C	166409114	MZOIDMRKJDJIEP-YWPYICTPSA-N	236.355	3.387	0	1	BGAF	
CC1=C[C@H]2CC[C@H]3[C@@H](C)C[C@H](C)[C@@H](C1)N32	238757963	GZLDGJFXXOEXDX-PDWCTOEPSA-N	205.345	3.214	0	1	BGAF	
c1ccc2c(-c3cncnc3)csc2c1	299864233	QXJXNIOLNHBDGZ-UHFFFAOYSA-N	212.277	3.358	0	1	BGAF	
CCC[C@@H](C)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587406431	QXBDWBWJSNHVJI-QMTHXVAHSA-N	247.338	3.347	0	1	BGAF	
CCCC/C=C\c1nc2cc3c(cc2[nH]1)OCO3	587965090	GUUXSDIKAUTKJJ-WAYWQWQTSA-N	244.294	3.495	0	1	BGAF	
CC1=C2C[C@@H]3[C@H](C)CCC(=O)[C@]3(C)C[C@H]2OC1	2356666247	JQEOEYITCFFMNV-QGMIFYJMSA-N	234.339	3.117	0	1	BGAF	
CC(C)[C@@H]1[C@H]2C[C@@]3(C)CC[C@H]2[C@@](C)(C3)[C@H]1NC=O	2356758896	OSVZIYFFGGLQGX-RCZWDNKTSA-N	249.398	3.219	0	1	BGAF	
CCCc1nc(Cc2c[nH]cn2)c(CCC)s1	13802723	HZMDDGJJCFKYDD-UHFFFAOYSA-N	249.383	3.362	0	1	BGAF	
COc1ccc([C@H]2C3CCC(CC3)[C@@H]2CN)cc1	28011858	UHORERNNJNTEOU-UQZDFYISSA-N	245.366	3.174	0	1	BGAF	
CC1=C2CC[C@@H](C)[C@H]2C[C@@H]2[C@@H](C1)OC(=O)[C@@H]2C	238766817	LGGWYHIMEGQREQ-ARVLLKKWSA-N	234.339	3.321	0	1	BGAF	
CCCC/C=C/c1nc2ccc(C)nc2[nH]1	587966504	VDVUEOMUZNXNRB-VOTSOKGWSA-N	215.300	3.470	0	1	BGAF	
COc1cc2[nH]c3cc(O)ccc3c2cc1C	1534691090	RUABNQOYQXWTIR-UHFFFAOYSA-N	227.263	3.344	0	1	BGAF	biogenic
CC1=C[C@H](O)[C@@H]([C@H](C)CC/C=C(\C)CO)CC1	14859839	DFIUOPFZVPTMHK-PDWYJCOFSA-N	238.371	3.059	0	1	BGAF	
Cc1ccc(C)c2[nH]c([C@H]3CC[C@@H](O)CC3)nc12	586899887	VHIIUZQUJJMYIL-TXEJJXNPSA-N	244.338	3.198	0	1	BGAF	
Cc1[nH]c2cc(Cl)c(F)cc2c1-n1ccnc1	587631409	BBJVDIOKPUEKFF-UHFFFAOYSA-N	249.676	3.455	0	1	BGAF	
CCn1cc(-c2[nH]c3cc(F)ccc3c2C)cn1	587635532	JNCBICFBQMSHMV-UHFFFAOYSA-N	243.285	3.499	0	1	BGAF	
C=CC(=O)Nc1nc(-c2ccccc2)c(C)s1	1857546884	WEFWFGQBBJPBBX-UHFFFAOYSA-N	244.319	3.243	0	1	BGAF	
Cc1cc(C)c2c(c1)C(c1c[nH]cn1)=CCC2	13765313	GQDXDQJDNRRLRK-UHFFFAOYSA-N	224.307	3.404	0	1	BGAF	
O=C1C[C@@H]2CCC[C@](OCc3ccccc3)(C1)C2	29416480	RMLUYNRWKNCELN-GOEBONIOSA-N	244.334	3.495	0	1	BGAF	
O=c1[nH]c(-c2ccccc2)cc2ccsc12	95870382	DBXAHWJOZSAJIV-UHFFFAOYSA-N	227.288	3.257	0	1	BGAF	
C[C@@H]1Cc2c([nH]c3ccccc23)-c2n[nH]cc21	96922158	OEEBTEWVXHYZRM-MRVPVSSYSA-N	223.279	3.218	0	1	BGAF	
O=c1cc(/C=C/c2ccc(Cl)cc2)occ1O	136934871	SZATYONXMPYOJV-ZZXKWVIFSA-N	248.665	3.169	0	1	BGAF	
C[C@]1(O)CC[C@@H]2[C@H]3CCCC=C3C=C[C@@]21C	299809198	ILJJWXMZGGKVML-XGUBFFRZSA-N	218.340	3.450	0	1	BGAF	
COc1cccc2c1[nH]c1ccc(C=O)cc12	14445246	KSTPFEFAPRYLOZ-UHFFFAOYSA-N	225.247	3.142	0	1	BGAF	endogenous,in-man
O=C(c1ncc(-c2ccccn2)o1)C1CCCC1	14980140	CZXHLRXAHDZQJF-UHFFFAOYSA-N	242.278	3.110	0	1	BGAF	in-vivo
Cc1ccc(-c2nc3cc[nH]cc-3n2)c(C)c1	101350480	AFCBGYFWPFFTIM-UHFFFAOYSA-N	223.279	3.193	0	1	BGAF	
CCCCOc1[nH]cnc2c3ccccc3nc1-2	101670422	SXTFRJHIQBGQEV-UHFFFAOYSA-N	241.294	3.242	0	1	BGAF	
Cc1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1	102884316	CSXJSMPOTUWCIM-BZPMIXESSA-N	229.323	3.370	0	1	BGAF	
Cc1cccc(C)c1NC1=N[C@H](C)CC1	143189866	VYFHOFJZYWCIPF-LLVKDONJSA-N	202.301	3.296	0	1	BGAF	
CC[C@@H](N=O)/C(C)=C/c1cnccc1C	169723663	JDRRNAOVXUPCMU-OFFHKIPUSA-N	204.273	3.338	0	1	BGAF	
Cc1ccc(C)c2[nH]c([C@@](C)(O)C(C)C)nc12	586892951	YLGXNZVPUXVCNT-AWEZNQCLSA-N	232.327	3.043	0	1	BGAF	
COc1ccc(Cl)c(Cl)c1[C@H]1C[C@@H]1CN	653709074	WYOQWFHMSQKDSW-RQJHMYQMSA-N	246.137	3.064	0	1	BGAF	
CCCN(CCC)[C@@H]1Cc2ccc(OC)cc2C1	13471358	IZHPDJHRNYGLPC-OAHLLOKOSA-N	247.382	3.284	0	1	BGAF	
C1=C(c2coc3ccccc23)C2CCN1CC2	13740316	WCQIGWGZUOSGET-UHFFFAOYSA-N	225.291	3.499	0	1	BGAF	
C[C@@H]1CC(c2ccoc2)=C[C@]2(C1)C[C@@H](C)C(=O)O2	15221806	YDUFVPKWFQXSAZ-HFAKWTLXSA-N	246.306	3.415	0	1	BGAF	biogenic
Cc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1F	586898212	HAOKKEZHSHWENZ-AOOOYVTPSA-N	248.301	3.029	0	1	BGAF	
CC(C)[C@@H]1C[C@]2(C)[C@H](C)CC[C@@H](O)[C@@H]2CC1=O	2356808172	YNPVPSSWCJNYOA-NLRWUALESA-N	238.371	3.035	0	1	BGAF	
C[C@H]1CCC[P@@](=O)(c2ccccc2)CC1	1613075	TVYJSCAQHHKNTM-WFASDCNBSA-N	222.268	3.495	0	1	BGAF	
CN[C@@]12CCCC[C@@H]1CSc1ccccc12	13831995	YRHAAMNUSVMHDY-RISCZKNCSA-N	233.380	3.397	0	1	BGAF	
CC(C)OC(=O)[C@H]1C[C@]2(C)CC[C@H]1C2(C)C	84400759	DMAIZVXCRSEWGZ-WDMOLILDSA-N	224.344	3.400	0	1	BGAF	
Cc1ccc2nc([C@H]3CCCC(=O)CC3)[nH]c2c1	586887009	RPCIEQWWQHGQST-NSHDSACASA-N	242.322	3.488	0	1	BGAF	
CC(C)c1[nH]c2cc(F)ccc2c1-n1cncn1	587635475	IKDCZHTYHVHPKA-UHFFFAOYSA-N	244.273	3.011	0	1	BGAF	
CC1=C[C@@H]2Cc3occc3C(C)(C)[C@@H]2C[C@@H]1O	15222119	QKJRXNJQIGSRPJ-RTXFEEFZSA-N	232.323	3.057	0	1	BGAF	biogenic
Oc1cccc(-c2ccc3cc(O)ccc3n2)c1	29055858	KVSLALXAPWSPAG-UHFFFAOYSA-N	237.258	3.313	0	1	BGAF	in-vivo
CCOC(=O)[C@H]1CCc2c1ssc2=S	53296135	DQXWLLCHJDXICG-YFKPBYRVSA-N	246.378	3.132	0	1	BGAF	
Cc1[nH]c2cc(F)ccc2c1-c1cnn(C)c1	587636371	YPUYFFLEHYWEOH-UHFFFAOYSA-N	229.258	3.016	0	1	BGAF	
C[C@@H]1C(=O)O[C@H]2[C@@H]1CC[C@@H](C)[C@@H]1CC[C@H](C)[C@H]12	2356775147	IICZMVCRWGAHJB-YMBOUOQFSA-N	236.355	3.256	0	1	BGAF	
c1csc(-c2ccn3ccnc3c2)c1	299866244	VNOHURAYGPPYAF-UHFFFAOYSA-N	200.266	3.063	0	1	BGAF	
C[C@]12CC[C@@H](O)C[C@@H]1CCc1ccccc12	5276723	MVNJNWNFUCRWBW-GUTXKFCHSA-N	216.324	3.052	0	1	BGAF	biogenic
Oc1cccc2c1CC[C@H]1[C@H](c3ccncc3)[C@@H]21	13741599	GHVIXHADLSTRNY-BPUTZDHNSA-N	237.302	3.231	0	1	BGAF	
CC(C)[C@@H](C)Oc1cccc2ccc(N)nc12	28373142	UQTSQIVXJFEZMJ-SNVBAGLBSA-N	230.311	3.240	0	1	BGAF	in-vivo
CC(C)CNC1=NCCC2(CCCCC2)S1	82052289	GPYMFUTWYIGTPH-UHFFFAOYSA-N	240.416	3.428	0	1	BGAF	
CC=C=CCNC[C@@H](C)c1ccccc1	84758134	GQQLARNLJDXQSI-UHPMRNIESA-N	201.313	3.111	0	1	BGAF	
COC(=O)C1=C(c2ccccc2)[C@@H]2CC[C@@H]1C2	101436489	GKWNAKMFUGNGOE-VXGBXAGGSA-N	228.291	3.043	0	1	BGAF	
S=C1N=C2CCCC[C@H]2[C@@H](c2ccccc2)N1	169726110	SXPHPUNQEIAONC-DGCLKSJQSA-N	244.363	3.247	0	1	BGAF	
Cc1ccc2nc([C@](C)(O)C(C)C)[nH]c2c1C	586887502	ISDSRRPWGZUGBE-CQSZACIVSA-N	232.327	3.043	0	1	BGAF	
CC[C@H](C)C(=O)OCC=Cc1ccc(OC)cc1	2356725975	PECSNCQVOXJVQQ-LBPRGKRZSA-N	248.322	3.298	0	1	BGAF	
CC(C)=C[C@@H]1C[C@H](C)[C@@H]2C[C@@H](O)C(C)=C[C@H]2O1	2356758889	OEZSPFGKGBIPMN-XFZHLKPQSA-N	236.355	3.073	0	1	BGAF	
C[C@H]1Cn2c3c(c4cccc(c42)CN1)CCCC3	26579166	PLKPDLXQRNKCDT-NSHDSACASA-N	240.350	3.012	0	1	BGAF	
CN[C@@H]1C(c2ccccc2)=C[C@@H]2CC[C@H]1C2	27656884	ZTAVWHFBEHNKCY-ZLDLUXBVSA-N	213.324	3.088	0	1	BGAF	
CCCCCc1cc(OC)c(OC)cc1OC	49803011	NTKCKBHCNPVXJC-UHFFFAOYSA-N	238.327	3.445	0	1	BGAF	
Cc1ccc(F)c(NC2=N[C@H](C)CC2)c1	143294697	MYTULABKSPGJTP-SECBINFHSA-N	206.264	3.127	0	1	BGAF	
Oc1cccc2nc(-c3ccc(F)c(F)c3)[nH]c12	587144812	BHVTZCXWCFUQFD-UHFFFAOYSA-N	246.216	3.214	0	1	BGAF	
Cc1oc2ccc3ccc(=O)oc3c2c1C	6069112	JLAPWSNBHNHNRQ-UHFFFAOYSA-N	214.220	3.156	0	1	BGAF	
Cc1ccc2oc(-c3cccnc3)cc(=O)c2c1	13491216	KPZRGUDQIYLPKX-UHFFFAOYSA-N	237.258	3.163	0	1	BGAF	in-vivo
C/C1=C/C[C@@H](O)/C(C)=C/[C@@H](O)C(C)(C)CCC1	14441586	GYUGUGKADPBAJH-IALVHOCPSA-N	238.371	3.201	0	1	BGAF	
C=C[C@]1(C)CC[C@](O)(C(C)C)C(=O)[C@H]1C(=C)C	14449919	GHIYLRZGQOFLNM-YUELXQCFSA-N	236.355	3.121	0	1	BGAF	biogenic
CC(C)=CC[C@@]12CCN(C)[C@H]1Nc1ccccc12	14682025	NCWZIOMMRIPMEA-CVEARBPZSA-N	242.366	3.368	0	1	BGAF	biogenic
CC(=O)c1cc2c(=O)oc3cccc(C)c3c2o1	14682668	QZSWQZATUQOFHE-UHFFFAOYSA-N	242.230	3.050	0	1	BGAF	biogenic
CC1(C)C(=O)C[C@@]23CCC[C@@](C)(CC(=O)[C@@H]12)C3	17254715	IDXVGRTXFXYOCS-AEGPPILISA-N	234.339	3.141	0	1	BGAF	
Cc1cc2ncn(C(C)(C)C)c2cc1C	103280274	UYUOYQFYKAVWLS-UHFFFAOYSA-N	202.301	3.408	0	1	BGAF	
CCCN1CCC[C@H]2c3cc(O)ccc3CC[C@H]21	253664615	LGRLJXCJYMYBLM-GOEBONIOSA-N	245.366	3.296	0	1	BGAF	
C[C@@H]1CC=C2C3=C1C(=O)OC[C@@]3(C)CC2(C)C	13378837	PCEVLQFNPPWJEB-RFAUZJTJSA-N	232.323	3.242	0	1	BGAF	biogenic
CSC(=O)NC12C[C@H]3C[C@H](CC(C)(C3)C1)C2	18164675	BENFVQWFMSYJSQ-ASZHBFLOSA-N	239.384	3.418	0	1	BGAF	
N[C@H]1[C@H]2CC[C@@H]1c1ccc(C(F)(F)F)cc1C2	26288522	WOHWQAPSLJHLKN-BPTDKIDVSA-N	241.256	3.082	0	1	BGAF	
Cc1ccc2c(c1)C(c1ccccc1)=NCC2	169314377	YSLRQCLPBLEOMW-UHFFFAOYSA-N	221.303	3.389	0	1	BGAF	
Cc1cc2[nH]c(C=C3CCC3)nc2c(C)n1	587964973	LEFDVESSQOPBEE-UHFFFAOYSA-N	213.284	3.142	0	1	BGAF	
Cc1cc(O)ccc1-c1ccc2c[nH]nc2c1	1857635406	NOFOMENYDWGWSN-UHFFFAOYSA-N	224.263	3.244	0	1	BGAF	
CC1=C[C@@H]2O[C@]3(C)C[C@H](O)C[C@@]3(C)[C@]2(C)CC1	2356587871	AEVRZHUASKUUBI-QKGCVVFFSA-N	236.355	3.051	0	1	BGAF	
C[C@@H]1CCC[C@@H]2[C@H](O)C[C@@H]3[C@@H](C3(C)C)[C@@]21C	2356732450	QHNIGCGGGCYOFP-SAAVVOQKSA-N	222.372	3.466	0	1	BGAF	
CC1=C[C@@H]2[C@H](C=CC[C@H]2C(C)C)C[C@H]1O	2356794748	LJDAGECYYBEJHA-XJFOESAGSA-N	206.329	3.162	0	1	BGAF	
Cc1ccsc1-c1ncnn1-c1ccccc1	180893	QDUCPQOPXJFFBW-UHFFFAOYSA-N	241.319	3.304	0	1	BGAF	
c1ccc2c3c(ccc2c1)-c1[nH]ncc1CCO3	5545600	PHKMOBUCVYSAGG-UHFFFAOYSA-N	236.274	3.165	0	1	BGAF	
CNC(=O)[C@@H](C)c1ccc(-c2ccccc2)cc1	13589344	DYGPWPMLADQIMY-LBPRGKRZSA-N	239.318	3.203	0	1	BGAF	
CC(=O)OCC[C@@H]1[C@H]2CC[C@@H](C2)C1(C)C	101138127	PTSRRNQCSHSVHW-SDDRHHMPSA-N	210.317	3.012	0	1	BGAF	
COc1cccc2cc(C)c(C(C)=O)c(OC)c12	2573520	CVPYOJRRUZFCDK-UHFFFAOYSA-N	244.290	3.368	0	1	BGAF	biogenic
CC(=S)O[C@@H]1C[C@@H]2C[C@@H]1[C@H]1CCC[C@H]21	103943361	SOCGROLMYUCUSI-RNWYCLNJSA-N	210.342	3.175	0	1	BGAF	
CC1=CCC2=C(C)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@H]12	238778886	WBHVRMWEPJHOHP-YXCITZCRSA-N	232.323	3.241	0	1	BGAF	
Cc1ccc(O)c(C)c1[C@@H]1OC(=O)C[C@H]1C(C)C	238786814	AFNNYRDPAGKWOO-XHDPSFHLSA-N	248.322	3.269	0	1	BGAF	
Cc1cnc2[nH]c(C3(F)CCCCC3)nc2c1	587131670	BDEJMSXTHIRMRG-UHFFFAOYSA-N	233.290	3.395	0	1	BGAF	
CCC(CC)[C@H]1CC(=O)c2cc(C)cc(N)c2O1	587404505	FQKAFFLAVJFIGA-CQSZACIVSA-N	247.338	3.347	0	1	BGAF	
COc1c(CCCCC(C)C)coc(=O)c1C	1857652044	NKZIFUQQMYAMSA-UHFFFAOYSA-N	238.327	3.326	0	1	BGAF	
CCCCC[C@@H](C=CCCCC(=O)O)OC	2356572402	ZYUVYYBWWSSMTQ-LBPRGKRZSA-N	228.332	3.393	0	1	BGAF	
CC(C)[C@H]1C(=O)C[C@H](C)[C@@]12CC[C@H](C)C(=O)C2	34558073	AGUISGUERLMHFF-GVARAGBVSA-N	236.355	3.243	0	1	BGAF	
COC(=O)c1cc2c(cc1OC)CCCC2(C)C	38869478	CYQGNTPZNQLKGQ-UHFFFAOYSA-N	248.322	3.096	0	1	BGAF	
CC(C)(C)c1ncncc1-c1ccccc1	169318176	LKUYEFHCAPRGQI-UHFFFAOYSA-N	212.296	3.441	0	1	BGAF	
CSc1cc(CN=O)c(SC)s1	169688396	PVCCRSANRHWFPH-UHFFFAOYSA-N	219.356	3.458	0	1	BGAF	
CC[C@@H](C)[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1	587403504	NTYFRAYPVUOMAC-MEBBXXQBSA-N	247.338	3.347	0	1	BGAF	
N=C(/C=C(O)/C=C/c1ccco1)C(F)(F)F	618003047	QCKHFFONJRUZGJ-PEEFIGSKSA-N	231.173	3.317	0	1	BGAF	
CC(=CCC[C@@]1(C)O[C@@]2(C)CC[C@H]1[C@@H]2C)CO	2356592936	PXVKOXQKGLNFDE-ZQDZILKHSA-N	238.371	3.299	0	1	BGAF	
CC/C=C/c1cc2ccccc2c(=O)o1	1567092	DHKBMMCQVXFEJY-XVNBXDOJSA-N	200.237	3.216	0	1	BGAF	
c1ccc([C@@H]2C[C@@H]3C[C@H](c4ccco4)N2O3)cc1	5103033	BTDMDCMAYSCHMS-HZSPNIEDSA-N	241.290	3.472	0	1	BGAF	
CN1CC[C@H]2c3c([nH]c4ccccc34)CC[C@H]2C1	13731920	DYADXWCUDMKIIG-NWDGAFQWSA-N	240.350	3.149	0	1	BGAF	
CC(=O)Nc1ccc2c3c([nH]c2c1)CCCC3	26186738	RCSXBWXDVVIQBB-UHFFFAOYSA-N	228.295	3.005	0	1	BGAF	
CO[C@H](c1ccc(C(=O)O)cc1)C(C)(C)C	29390994	ZJJPKMXQWCZGJT-LLVKDONJSA-N	222.284	3.118	0	1	BGAF	
CC1=C2CC(C)(C)CC2=CC2=C(C1)C(=O)OC2	34586635	OPHDICOAXLPQSX-UHFFFAOYSA-N	230.307	3.306	0	1	BGAF	biogenic,in-vitro
C=C(/C=C/C)c1cc(C)ccc1OC=O	69482184	OMMHPZPNWBCTMY-SNAWJCMRSA-N	202.253	3.120	0	1	BGAF	biogenic,in-vitro
C[n+]1ccc(Cl)c2cccc(C(F)(F)F)c21	1772578524	VKOSAMHKIBOKKM-UHFFFAOYSA-N	246.639	3.337	0	1	BGAF	
Cc1cc(=O)sc2c1c1ccccc1n2C	5139655	SHKHNPKEXZAYCP-UHFFFAOYSA-N	229.304	3.062	0	1	BGAF	
Cc1ccc2c3c1C(=O)OC[C@@]3(C)CC2(C)C	13378867	CAMCSBCRRUTMEK-OAHLLOKOSA-N	230.307	3.104	0	1	BGAF	biogenic
CC[C@H](C)/C=C/c1oc(=O)cc(OC)c1C	14658863	KTXOHEGYWWVREA-UCUJLANTSA-N	222.284	3.016	0	1	BGAF	
N[C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1	26569591	ZPTITOXHTKKBPT-ZBFHGGJFSA-N	223.319	3.092	0	1	BGAF	
CCCCN[C@H]1CCc2[nH]c3ccccc3c2C1	39213994	LGWVLETTZTZTPU-LBPRGKRZSA-N	242.366	3.415	0	1	BGAF	
Cc1cc2c(c(C)c1O)c1ncccc1n2C	40865555	HGIQNBUVVTWBSJ-UHFFFAOYSA-N	226.279	3.049	0	1	BGAF	in-vivo
Oc1cc(O)cc(-c2cc3cc(O)ccc3o2)c1	64490709	ZENZAXDBZIONHX-UHFFFAOYSA-N	242.230	3.217	0	1	BGAF	
CCCCOc1ccc2c(c1)CCc1nccn1-2	95596600	RBRLHDNXSSASQZ-UHFFFAOYSA-N	242.322	3.150	0	1	BGAF	
O=NC=C1C=CN(Cc2cccs2)C=C1	139442117	DZMWSKBWRYYVLU-UHFFFAOYSA-N	218.281	3.241	0	1	BGAF	
O=C(O)CC/C=C\CCCc1ccccc1	199269355	OZVXSKKGSPDWPG-IWQZZHSRSA-N	218.296	3.430	0	1	BGAF	biogenic,in-vitro
CC(=O)CCC=C(C)[C@H](O)CC=C(C)C	2356433267	DRPMNCHRRMKIHV-CYBMUJFWSA-N	210.317	3.019	0	1	BGAF	
CC(C)=CC(=O)[C@H]1CCC(C)=CC(=O)C[C@H]1C	14712347	QSEXTUGQYXMUHW-OCCSQVGLSA-N	234.339	3.473	0	1	BGAF	biogenic
C[C@@H]1O[C@H]1c1nc2cc3ccccc3cc2[nH]1	586917976	YZNBSMBLXJXASN-ISVAXAHUSA-N	224.263	3.176	0	1	BGAF	
CC(=O)[C@H](C)c1cc2c3c(cccc3n1)CC2	587213471	IRLIBLZBWGZBAH-VIFPVBQESA-N	225.291	3.026	0	1	BGAF	
CC(C)=CC=C1O[C@@H]2C=C(C)CC[C@H]2[C@@]1(C)O	2356725956	ORTJVSXUILUUMF-UMVBOHGHSA-N	234.339	3.343	0	1	BGAF	
CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C)O[C@@]2(C)CCC1=O	100067581	PPGUUDJMTMGALC-LWWSYDQCSA-N	236.355	3.339	0	3	BGAF	in-vitro
Oc1cccc2c1CC[C@@H](Cc1ccncc1)C2	13736354	WPBWKLWEIPQUBK-ZDUSSCGKSA-N	239.318	3.135	0	1	BGAF	
Cn1ccc2c(Nc3ccccc3)ccnc21	28706824	NXKWWIYQNZFGKC-UHFFFAOYSA-N	223.279	3.317	0	1	BGAF	
c1ccc2c(c1)[nH]c1ccnc(NC3CC3)c12	40379202	QQSIXKFLZGZDPA-UHFFFAOYSA-N	223.279	3.290	0	1	BGAF	
CCCCC/C=C\C=C/C(=O)NCC(C)C	45097218	MAGQQZHFHJDIRE-XESWYYRISA-N	223.360	3.451	0	1	BGAF	
C=CC(=O)Nc1cccc([C@@H](O)CCCC)c1	53313007	ASXSLHRXBAHATF-ZDUSSCGKSA-N	233.311	3.035	0	1	BGAF	
NC(=O)N1c2ccccc2Oc2ccccc21	95572695	PWKHCVCEJJRLQV-UHFFFAOYSA-N	226.235	3.009	0	1	BGAF	
CCCc1c(O)ccc2c1OC1(CCC1)CC2=O	587480371	JRUJDOIHUQGHBB-UHFFFAOYSA-N	246.306	3.233	0	1	BGAF	
CC(C)=CC(=O)[C@@H]1[C@@H](C)CC[C@]1(O)c1ccoc1	13383598	MZISRFGDZVZINJ-CQDKDKBSSA-N	248.322	3.049	0	1	BGAF	biogenic
CC1(C)CCC[C@]2(C)C=CC(=O)[C@H]3C[C@@]312	14587508	MPIBOQKDJNGGSK-LERXQTSPSA-N	204.313	3.348	0	1	BGAF	biogenic
CN(C)CCCc1c[nH]c2c(Cl)cccc12	28344616	XXYHKOOELQYTGS-UHFFFAOYSA-N	236.746	3.316	0	1	BGAF	
CC(C)[C@@H]1C(=O)C[C@H](C)[C@@]12CC[C@H](C)C(=O)C2	34558075	AGUISGUERLMHFF-AZHAFVHUSA-N	236.355	3.243	0	1	BGAF	
O=c1oc2c(O)cccc2cc1-c1ccsc1	653887807	HIUJMZWLVFIVJW-UHFFFAOYSA-N	244.271	3.227	0	1	BGAF	
CC=CC=CCCC=CC(=O)NCC(C)C	2356683681	BXOCHUWSGYYSFW-UHFFFAOYSA-N	221.344	3.227	0	1	BGAF	
CC1=CCC2=C(C)C[C@@H]3OC(=O)C(C)=C3C[C@@H]12	5497476	KQBRXXMGSZOJLH-JSGCOSHPSA-N	230.307	3.305	0	1	BGAF	biogenic
C[C@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	6183709	AYXPYQRXGNDJFU-FSTWUICMSA-N	222.372	3.466	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@@H]1c1cc(C(F)(F)F)ccc12	29327595	QFRCSJBYSNCGPY-IQJOONFLSA-N	227.229	3.007	0	1	BGAF	
O=C1CC2(CCCCCC2)Oc2cc(O)ccc21	34463049	WEABRQWPMLDBSK-UHFFFAOYSA-N	246.306	3.450	0	1	BGAF	
CCOc1cc2c(cn1)Cc1ccccc1-2	40861383	ZHSSZHZENZJSBW-UHFFFAOYSA-N	211.264	3.052	0	1	BGAF	
c1ccc2c(c1)C[C@@H]1NC[C@@H]2c2ccccc21	100740077	HWPDIGZXZMCJHZ-HOTGVXAUSA-N	221.303	3.019	0	1	BGAF	
C[C@H]1CCCN1c1cccc2ncccc12	299858536	DRPFPGDAFATGIH-NSHDSACASA-N	212.296	3.224	0	1	BGAF	
c1ccc([C@@H]2C[C@H]2Cc2nc3cnccc3[nH]2)cc1	587962127	VCHITPNGFSSAAJ-STQMWFEESA-N	249.317	3.304	0	1	BGAF	
CC1=CC[C@@H]2[C@H](C)C(=O)O[C@@H]2[C@H]2C(C)=CC[C@@H]12	2356477608	BEVNHPMFXGZXHL-HPCHECBXSA-N	232.323	3.097	0	1	BGAF	
CN=S(=O)(c1ccccc1)c1ccccc1	1633200	ICURXVAHBJXJLT-UHFFFAOYSA-N	231.320	3.202	0	1	BGAF	
COc1cc(CCc2ccccc2)cc(OC)c1	15112734	PBHUJCQHJCTMDJ-UHFFFAOYSA-N	242.318	3.489	0	1	BGAF	biogenic
CN1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	28098842	QCHZYELFCCVECG-LLVKDONJSA-N	229.245	3.472	0	1	BGAF	
Oc1cccc2cc(-c3cncnc3)ccc12	66099487	VXXJVYSAKLBOSH-UHFFFAOYSA-N	222.247	3.002	0	1	BGAF	
CCCCC1=NN=C2CC(C)(C)CC(NO)=C12	104034190	IDUZDJFLFIMPSW-UHFFFAOYSA-N	235.331	3.040	0	3	BGAF	
C(\Cn1ccnc1)=C1\CCCc2sccc21	13808216	RUTWVMBTFHJSGO-NYYWCZLTSA-N	230.336	3.365	0	1	BGAF	
CC1(C)CCC[C@]2(C)O[C@H]3C[C@@H]2C1=C[C@@]3(C)O	15161284	NVJZUKOMNWFJRX-BQPHKTIFSA-N	236.355	3.051	0	1	BGAF	
Cc1cc(-c2ccc3c(c2)CNC3=O)ccc1F	63540024	XRMGXJRAHPHLGH-UHFFFAOYSA-N	241.265	3.045	0	1	BGAF	
CC(C)CNc1cc(-c2ccc(F)cc2)ncn1	82160820	NUWFSTYPMOLXIE-UHFFFAOYSA-N	245.301	3.351	0	1	BGAF	
CCCCc1ccc(C2CC(=O)CC(=O)C2)cc1	102915315	DNDLMJCBFDAQOH-UHFFFAOYSA-N	244.334	3.435	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2c(C)nc(C)cc2[nH]1	586893405	XMOGTSXCGFQSAT-QMTHXVAHSA-N	229.327	3.478	0	1	BGAF	
Cc1c(F)cc(-c2nc3cccnc3[nH]2)cc1F	587133067	PDHZZYRSGGQNKZ-UHFFFAOYSA-N	245.232	3.212	0	1	BGAF	
Nc1c2c([nH]c3nc4ccccc4c1-3)CCCC2	1857578490	VREWRPNPJYOFRU-UHFFFAOYSA-N	237.306	3.129	0	1	BGAF	
c1ccc(CC[N@]2C[C@@H]2c2ccccc2)cc1	1857648904	ZTSNYHQXLQARLW-IAGOWNOFSA-N	223.319	3.286	0	1	BGAF	
Cc1c(CCCCC(C)C)oc(=O)c(C)c1O	2356323765	NMVMDDZSBVHKAO-UHFFFAOYSA-N	238.327	3.331	0	1	BGAF	
Cc1coc2c1[C@H]1CC(=CC=C[C@H](C)C2)C(=O)O1	2356597219	ZJTDAKVMLPHOPD-TVQRCGJNSA-N	244.290	3.251	0	1	BGAF	
CCc1c2c(nc3ccc(OC)cc13)O[C@H](C)C2	7991701	LRKZGLCCRYKDAM-SECBINFHSA-N	243.306	3.129	0	1	BGAF	
O=[S@@](c1ccccc1)c1cc2ccccc2[nH]1	64373434	IPHCRVNZPPRNOV-QGZVFWFLSA-N	241.315	3.335	0	1	BGAF	
c1ccc2c(c1)[C@H]1CC[C@H]2N2CCCC[C@@H]12	136978905	XUWUJNGIAHFEKU-QLFBSQMISA-N	213.324	3.473	0	1	BGAF	
CCCC/C(Br)=C/C(=O)OCC	166386459	HPQFTDIJKZJGDY-FPLPWBNLSA-N	235.121	3.019	0	1	BGAF	
CC(CO)=C1CC[C@]2(C)CCC[C@](C)(O)[C@@H]2C1	2356826482	HXSBDAXZKKSVDR-ILXRZTDVSA-N	238.371	3.037	0	1	BGAF	
CN(C)[C]1C=CN(Cc2cccc(Cl)c2)C=C1	2356851607	KAZUMLYDDNBIBH-UHFFFAOYSA-N	247.749	3.277	0	1	BGAF	
C1CC[C@H]2N=C(NC(C3CC3)C3CC3)C[C@@H]2C1	29344872	SDDHXPSVHYYHPD-QWHCGFSZSA-N	232.371	3.126	0	1	BGAF	
Cc1cccc(C(=O)[C@H](C)N2CCCCC2)c1	45339574	VMEDIUSDIYRUSA-ZDUSSCGKSA-N	231.339	3.052	0	1	BGAF	in-vivo
CCCCC[C@H]1NC(=O)/C(=C/c2ccccc2)O1	473156029	SGLUFDZOPWYNKZ-FZDNWWAKSA-N	245.322	3.080	0	1	BGAF	
CC(=O)CC[C@H](C=CC(C)=CC(=O)O)C(C)C	2356439897	HJFLPJGTEMSBHS-ZDUSSCGKSA-N	238.327	3.215	0	1	BGAF	
CC(=O)N1c2ccccc2[C@H]2CCCC[C@@H]21	36387573	RLNAYUXUSMJJAO-OCCSQVGLSA-N	215.296	3.079	0	3	BGAF	
c1ccc2c(c1)N=C(NC1CCCCC1)CCN2	1863737	OOMPHYGXHIAPKV-UHFFFAOYSA-N	243.354	3.455	0	1	BGAF	
COc1cccc2c1C[C@H](Cc1ccncc1)C2	13736310	JWGVMBXLLOSDHC-CYBMUJFWSA-N	239.318	3.048	0	1	BGAF	
COc1ccc(CCc2cccc(OC)c2)cc1	14504068	RISOXQXSFOVFBL-UHFFFAOYSA-N	242.318	3.489	0	1	BGAF	biogenic
c1ccc2c(c1)CCN1CCc3ccccc3[C@@H]1C2	31862109	AOTXLNGFBJHXLM-SFHVURJKSA-N	249.357	3.385	0	1	BGAF	
Fc1cnc2[nH]c(/C=C/c3ccsc3)nc2c1	587025058	FJZJVFJUPMHWAF-OWOJBTEDSA-N	245.282	3.329	0	1	BGAF	
O=Cc1ccc(-c2ccc3[nH]ccc3c2)nc1	1772570497	LQJGDOAFPAJVCT-UHFFFAOYSA-N	222.247	3.042	0	1	BGAF	
CC1=C[C@@H]2O[C@]3(C)C[C@H](O)C[C@]3(C)[C@]2(C)CC1	2356587872	AEVRZHUASKUUBI-XLWJZTARSA-N	236.355	3.051	0	1	BGAF	
CC1=CC=C2C(C)=CC[C@H]([C@@H](C)C(=O)O)C=C12	2356667148	JGCYLNRSJNVUQP-NEPJUHHUSA-N	230.307	3.486	0	1	BGAF	
CN(C)c1nc(-c2ccco2)c2sccc2n1	29047927	SHZNJNOVLJASQX-UHFFFAOYSA-N	245.307	3.017	0	1	BGAF	
C1CC[C@H]2N=C(NC(C3CC3)C3CC3)C[C@H]2C1	29344883	SDDHXPSVHYYHPD-CHWSQXEVSA-N	232.371	3.126	0	1	BGAF	
Fc1nc(Cl)ccc1-c1nc2ccccc2[nH]1	587178228	WEDODUXBONHHDK-UHFFFAOYSA-N	247.660	3.417	0	1	BGAF	
C[C@H]1Cc2nc3cccc4c3c(c2C1)CC4	587215573	QLVHFHRMZCNTEJ-SECBINFHSA-N	209.292	3.068	0	1	BGAF	
CCCCCc1ccc(C2=NCCO2)cc1	653728702	QATYFJYGFLINLA-UHFFFAOYSA-N	217.312	3.196	0	1	BGAF	
CCCCOc1ccc(-c2cc[nH]n2)cc1	13530198	TVVGACWXAKCONN-UHFFFAOYSA-N	216.284	3.256	0	1	BGAF	
CC(=O)[C@@H]1[C@@H]2CC(=O)C[C@@]2(C)CCCC1(C)C	14413003	MMKGCZLPPJRCFV-GZBFAFLISA-N	236.355	3.387	0	1	BGAF	biogenic
Cc1cccc(COc2cc3n(n2)CCCC3)c1	96911131	FZTLVJXTALBMMF-UHFFFAOYSA-N	242.322	3.107	0	1	BGAF	
CC(C)[C@H]1CC[C@H](C)[C@@]23CC[C@@](C)(O)[C@@H]2[C@H]13	103579181	KONGRWVLXLWGDV-PMKSJIGOSA-N	222.372	3.466	0	1	BGAF	biogenic,in-vitro
CC(C)C1=CC[C@](C)(O)[C@@H]2CC=CC[C@@H]12	2356713813	SLQVJCSGLGJRIG-MJBXVCDLSA-N	206.329	3.306	0	1	BGAF	
CN(C)[C]1C=CN(Cc2ccc(Cl)cc2)C=C1	2356845681	VQOKOSGHUNBDHQ-UHFFFAOYSA-N	247.749	3.277	0	1	BGAF	
C=CC(=O)Oc1ccc(CCCC)cc1	14968985	KAKXARUWYFOIBF-UHFFFAOYSA-N	204.269	3.121	0	1	BGAF	
Cc1cccc([C@H]2COc3ccccc3C2=O)c1	84619298	XWJUCWAFAOYVGM-CQSZACIVSA-N	238.286	3.354	0	1	BGAF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](C1CCCC1)O2	587407315	ZZMNXLHZUJFGRR-CQSZACIVSA-N	245.322	3.101	0	1	BGAF	
CC(C)c1ccc2cc(C(=O)O)[nH]c2c1F	1772650152	RWVDYXCOBZNVGG-UHFFFAOYSA-N	221.231	3.129	0	1	BGAF	
Cc1ccc(N=c2sc(C)c(C)n2C)cc1	263592121	FYXSDUPMYFYPSU-UHFFFAOYSA-N	232.352	3.244	0	3	BGAF	
Nc1nccc2ccc(Oc3ccncc3)cc12	45187524	RTGLWPYSDSYODR-UHFFFAOYSA-N	237.262	3.004	0	1	BGAF	
CCN[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@H]1C2	101342341	KAGFQWDGGDLRJU-NOLJZWGESA-N	227.351	3.478	0	1	BGAF	
Oc1csc(Nc2nc3ccccc3s2)n1	169692559	MPSHULPHFNYZAE-UHFFFAOYSA-N	249.320	3.202	0	1	BGAF	
C[C@]1(c2cc3c4c(cccc4n2)CC3)CCCO1	587216270	YGCUFRAZCIMBGW-MRXNPFEDSA-N	239.318	3.359	0	1	BGAF	
CC1=CC[C@H]([C@@](C)(O)CC=CC(C)(C)O)CC1	2356388581	KHPLSAWGYMTNML-ZFWWWQNUSA-N	238.371	3.201	0	1	BGAF	
CCC[C@@H]1CCCN[C@H](c2cccnc2)C1	28460071	WETURKIDZIDHTP-OCCSQVGLSA-N	218.344	3.313	0	1	BGAF	
CCc1nccc2c1[nH]c1c(OC)cccc12	43065919	XOBFACUQMALBEU-UHFFFAOYSA-N	226.279	3.287	0	1	BGAF	
CC(C)[C@H](C)NCc1coc(-c2ccccc2)n1	72185187	OBYISVDKOJBQQO-LBPRGKRZSA-N	244.338	3.476	0	1	BGAF	
CC[C@H](C)Nc1cc(-c2ccc(F)cc2)ncn1	82161531	FNXCNJFVYCPIDJ-JTQLQIEISA-N	245.301	3.493	0	1	BGAF	
CS[C@@H]1C(=O)Nc2ccc3ccccc3c21	102948457	SLGYWHYIUUFYBT-LBPRGKRZSA-N	229.304	3.196	0	1	BGAF	
Fc1ccc(Oc2ncnc3occc23)c(F)c1	169331856	VTUTWTHVQQOXIZ-UHFFFAOYSA-N	248.188	3.293	0	1	BGAF	
Cc1[nH]c2ccc(F)c(Cl)c2c1CN(C)C	587631049	VXQVRISAXPECBI-UHFFFAOYSA-N	240.709	3.330	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@H](O)C[C@]2(C)C1	2356532263	VGSLLDHUYDRUSE-OSRDXIQISA-N	240.387	3.115	0	1	BGAF	
CCCN1CCC[C@@H](c2cccc(C(C)=O)c2)C1	13738272	BBRKEERFZOYHTK-MRXNPFEDSA-N	245.366	3.479	0	1	BGAF	
C1=C/C(=C(\c2ccccc2)c2ccc[nH]2)N=C1	39365269	NEQSMFDDRBWXRH-PFONDFGASA-N	220.275	3.415	0	1	BGAF	
C[C@@H]1C=C2C=C[C@H](C)[C@H](C=CC(=O)O)[C@@H]2CC1	2356410137	BYJSVNHVPRQKSV-AUZPSNTRSA-N	232.323	3.422	0	1	BGAF	
Fc1ccc(-c2nc[nH]c2-c2ccncc2)cc1	7301	MAOSUPNJVJGJEU-UHFFFAOYSA-N	239.253	3.278	0	1	BGAF	
[CH2-]c1c2c(Cl)cccc2nc2[n+]1CCCCC2	28457190	KJIWSJOEJZNLAR-UHFFFAOYSA-N	246.741	3.084	0	1	BGAF	
N[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(Cc1ccccc1)C3	29135217	PUOAXAQCVOTVQP-QSFKDOLUSA-N	241.378	3.383	0	1	BGAF	
C[C@@H]1[C@H]2CCC[C@@]1(c1cccc(O)c1)CCN2C	100639572	JBSRPCWYMOJXAM-DAXOMENPSA-N	245.366	3.154	0	1	BGAF	
C/C1=C\[C@H](O)[C@H](C(C)C)[C@@H](O)C/C(C)=C/CC1	238738313	MEXHQMBFSXHUEF-VRTLPGKQSA-N	238.371	3.057	0	1	BGAF	
CC1(C)O[C@@]23[C@@H]1CCC[C@]2(C)CCC[C@@]3(C)O	238779627	QSDDIDRVVWDTTL-NGFQHRJXSA-N	238.371	3.275	0	1	BGAF	
Cc1cc2c(cc1O)O[C@H](C)CC(=O)[C@@H]2C(C)C	13461469	NRXPKUCOZPTCRA-MEBBXXQBSA-N	248.322	3.180	0	1	BGAF	biogenic
Oc1ccc(-c2nc3cc(O)ccc3s2)cc1	13601095	GDZBRZPSSANEPO-UHFFFAOYSA-N	243.287	3.375	0	1	BGAF	
C[C@@H]1CCCC2=C[C@H](O)[C@@H]3[C@@H](C3(C)C)[C@]21C	14856062	YFLAOARQOANJAY-HJPYRHJCSA-N	220.356	3.386	0	1	BGAF	
Cc1ccc(O)c([C@@]2(C)CCC[C@@]2(C)CO)c1	15273664	AOYZAQMDZPHFIS-LSDHHAIUSA-N	234.339	3.141	0	1	BGAF	biogenic
CCc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1	27866602	RMABSJWHRITAHV-UHFFFAOYSA-N	237.306	3.496	0	1	BGAF	
CC1=C[C@]2(O)O[C@]3(CC2=C(C)C)[C@H]1CC[C@H]3C	103553481	ISFMXVMWEWLJGJ-DHMWGJHJSA-N	234.339	3.177	0	1	BGAF	biogenic,in-vitro
O=NC=C1C=CC=CN1CCc1ccccc1	1857585415	BJFDKASOIXIWDM-UHFFFAOYSA-N	226.279	3.222	0	1	BGAF	
CC=C(C)C(=O)OC[C@@H](C)c1ccc(C)cc1O	2356588973	NTUZUIFNUGZVQN-GFCCVEGCSA-N	248.322	3.314	0	1	BGAF	
O=C1CCCC[C@@H]1CC[C@H]1CCCCC1=O	2356616003	PHXJQWXJIQTVIY-VXGBXAGGSA-N	222.328	3.285	0	1	BGAF	
CC1=C2C(=C(C)CC[C@@H]3[C@H](C)C(=O)O[C@@H]23)C=C1	15264824	RXFYVUSLXOCLFO-ZKYQVNSYSA-N	230.307	3.161	0	1	BGAF	biogenic
c1ccc(Nc2nc(-n3ccnc3)cs2)cc1	35049900	MNASVAJHWYICAU-UHFFFAOYSA-N	242.307	3.072	0	1	BGAF	
CC1(C)CCCC2=CC[C@](C)(O)[C@H](O)C[C@]21C	238774010	CNBXXCQPWFOWPO-YUELXQCFSA-N	238.371	3.035	0	1	BGAF	
CCCCC=CC=CC=C[C@@H]1CC[C@@H](O)[C@H](C)N1	2356586111	LSCWHIBYDGDOLC-ARFHVFGLSA-N	249.398	3.347	0	1	BGAF	
CCCCC[C@H](C/C=C/CCC(=O)O)OC	14449155	KBMNVOKQUUZFOO-HOSRBBHYSA-N	228.332	3.393	0	1	BGAF	
COc1c(Cl)ccc2c1CC[C@@H]2c1ncc[nH]1	29046252	WOZZEGNZSHRTMV-JTQLQIEISA-N	248.713	3.150	0	1	BGAF	
O=c1ccc2cc(-c3ccccc3)ccc2o1	34203992	DTKWJHIAZGYBLD-UHFFFAOYSA-N	222.243	3.460	0	1	BGAF	
COC(=O)c1ccc2[nH]c3c(C)cccc3c2c1	53313035	BGYAXJJTVVQDMN-UHFFFAOYSA-N	239.274	3.416	0	1	BGAF	
CC1=CC[C@H]([C@](C)(O)CC/C=C(\C)CO)CC1	13377280	DRUPYWVNTITDJV-YDYWWVRFSA-N	238.371	3.203	0	1	BGAF	
C(=C1CCN(C2CCCCC2)CC1)c1c[nH]cn1	13612858	VVAQWSHIJLXLCO-UHFFFAOYSA-N	245.370	3.222	0	1	BGAF	
CCc1ccc(Oc2ccccc2O)c(O)c1	14944305	UFPGWUMHKFONKB-UHFFFAOYSA-N	230.263	3.453	0	1	BGAF	
CC(C)[C@@]12CC[C@@](C)(O1)[C@H]1C(=O)C[C@H](C)[C@@H]1C2	15160951	CSLBUZGPLRECOR-ADNNSEGNSA-N	236.355	3.195	0	1	BGAF	endogenous,in-man
C[C@H]1CC[C@@]2(C)CC[C@H]3C[C@@]2(OC3(C)C)[C@@H]1O	85508587	HHKGADPXFMXMQZ-ZZVJUGKHSA-N	238.371	3.131	0	1	BGAF	biogenic,in-vitro
CC1(C)C[C@H]2[C@@H]1CC[C@@]1(C)O[C@@]2(C)CC[C@@H]1O	169296213	KSMZUKWIDPCGBS-ZCRGAIPPSA-N	238.371	3.131	0	1	BGAF	
CC(C)Nc1nc(NC(C)C)c2ccccc2n1	169337308	QZKKOAUDAAQXQR-UHFFFAOYSA-N	244.342	3.270	0	1	BGAF	
Clc1nccc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12	587966857	HFCQHJQUXMWTPN-DJLDLDEBSA-N	245.713	3.291	0	1	BGAF	
C[C@H]1CCC2(C3CC4CC(C3)CC2C4)N1C	3639979	GQPLYNXFKRAQIU-GFSREQAASA-N	219.372	3.295	0	1	BGAF	
c1ccc2c(c1)CCc1cccc3c1C2=NCCN3	28712381	HBRBAFYNIOIVTD-UHFFFAOYSA-N	248.329	3.048	0	1	BGAF	
c1cc(C2=NO[C@@H](C3CCCCC3)C2)co1	66075237	XMNXSHJUBMXKBX-CYBMUJFWSA-N	219.284	3.353	0	1	BGAF	
Cc1noc(C)c1-c1ccc2c(c1)C(=O)CC2	169322564	PBEFYWVVHKTYKA-UHFFFAOYSA-N	227.263	3.087	0	1	BGAF	
C/C=C\C=C\CCc1c(O)ccc(O)c1COC	238758859	VIRRSSOWRCQPPA-DNVGVPOPSA-N	248.322	3.309	0	1	BGAF	
Cc1cc(C)n(-c2c(C)[nH]c3cc(F)ccc23)n1	587636085	PVGDECFLUPMKLR-UHFFFAOYSA-N	243.285	3.418	0	1	BGAF	
CC1(C)CCC(Cc2nc3ncc[nH]c-3n2)CC1	587961632	VDXQCYSAEFVVTG-UHFFFAOYSA-N	244.342	3.063	0	1	BGAF	
C[C@]12CCC(=O)C[C@@H]1CCc1ccccc12	3978412	QIVVSCJSQLKHIB-WFASDCNBSA-N	214.308	3.260	0	1	BGAF	biogenic
CCC[C@@]1(c2cccc(O)c2)CCN(C)C[C@@H]1C	11681924	RTOHPIRUUAKHOZ-XJKSGUPXSA-N	247.382	3.402	0	1	BGAF	in-man
C1CCN(C23C[C@@H]4CC2C[C@H](C4)C3)CC1	101684355	MPCPLRFLUHEXCX-FEPKRQSRSA-N	205.345	3.051	0	1	BGAF	
CCC(C)(C)[C@@H]1CC(=O)c2cc(C)cc(N)c2O1	587406182	QPBSXECLPRBUIA-ZDUSSCGKSA-N	247.338	3.347	0	1	BGAF	
CCCc1c(O)ccc2c1O[C@H](CC)CC2=O	587480479	KVZGJMZFJJQKER-SECBINFHSA-N	234.295	3.089	0	1	BGAF	
Fc1ccc(Sc2ncnc3cc[nH]c23)cc1	1911572772	OSVLUANWLVXHAH-UHFFFAOYSA-N	245.282	3.248	0	1	BGAF	
CC1=CC[C@]2(CC1)[C@@H](C(C)(C)O)CC[C@]2(C)O	2356552336	LZBYJSPEFVYKOU-SNPRPXQTSA-N	238.371	3.035	0	1	BGAF	
CCCC(=O)C[C@H](C)[C@@H]1C=C[C@](C)(O)CC1	2356846909	ORURTTPKMLIRJU-SCRDCRAPSA-N	224.344	3.099	0	1	BGAF	
COc1cc(O)cc(/C=C/c2ccccc2O)c1	13340917	NOWDSFJDVBOOBU-VOTSOKGWSA-N	242.274	3.277	0	1	BGAF	
CNCCc1cn2c3c(cc(F)cc13)CC[C@@H]2C	28005216	SRHCSDYGKWADRG-JTQLQIEISA-N	246.329	3.050	0	1	BGAF	
Cc1cc(-c2ccccc2)cc(C(=O)O)c1O	149692343	VETYJSJUELVXQU-UHFFFAOYSA-N	228.247	3.066	0	1	BGAF	
CC[C@]1(C)C[C@@H]1c1nc2cc(F)cnc2[nH]1	586890915	PSHKBSUCIWTQDH-PRHODGIISA-N	219.263	3.001	0	1	BGAF	
CC(C)(C)c1cccc2nc([C@H]3CCOC3)[nH]c12	586911747	MJMNLTUQEYBWJM-JTQLQIEISA-N	244.338	3.364	0	1	BGAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@H]1CC[C@H]1[C@@](O)(C3)C2	2356360425	GBAVVUAZBDNEJJ-LWGJEFJTSA-N	218.340	3.140	0	1	BGAF	
C[C@@]12C[C@H]3C=C[C@@H]1C[C@H]1CC[C@@H]1[C@@](O)(C3)C2	2356360426	GBAVVUAZBDNEJJ-PMXAPFLYSA-N	218.340	3.140	0	1	BGAF	
CC(C)CC[C@@H](C)OC(=O)CC(C)C	2356405831	FXTMCJQOEROJES-LLVKDONJSA-N	200.322	3.400	0	1	BGAF	
C=Cc1ncc(OC)c2c1[nH]c1ccc(O)cc12	14589898	JSACRWWPUMHRCQ-UHFFFAOYSA-N	240.262	3.073	0	1	BGAF	
C[C@H]1CC[C@H]2[C@H]1[C@@H]1[C@H](CC[C@]2(C)NC=O)C1(C)C	238732252	KDRPIAGOHIYGEH-NMKONOMSSA-N	249.398	3.219	0	1	BGAF	
CC(=O)c1ccc2nc(C3=CCCC3)[nH]c2c1	586882748	AXTSOKSHCZJEMJ-UHFFFAOYSA-N	226.279	3.333	0	1	BGAF	
CC[C@H](C)c1nc2c(C)cnc(Cl)c2[nH]1	587956213	OHEMYFMKGJXCDU-LURJTMIESA-N	223.707	3.433	0	1	BGAF	
C[C@H]1[C@H]2CC[C@@H](C)[C@@H]2[C@@H]2[C@@H](C[C@H]1O)C2(C)C	2356780865	GVNNDIPIOZWPIP-NKBRPRPESA-N	222.372	3.322	0	1	BGAF	
Cc1cn(Nc2ccncc2)c2ccccc12	13745924	FOWTXXOWJKWIGY-UHFFFAOYSA-N	223.279	3.220	0	1	BGAF	
CC(C)=CC[C@@H]1CC(=O)c2ccccc2[C@H]1O	14558236	LBJSSKOQMCUURJ-ABAIWWIYSA-N	230.307	3.279	0	1	BGAF	biogenic
C[C@@]12N[C@H](Cc3ccccc31)C1=CCCC[C@@H]12	100659835	JYBXPDFRCAEGKO-ARFHVFGLSA-N	225.335	3.156	0	1	BGAF	
Fc1cccc2nc(C3=CCCC3)[nH]c12	586885905	XNUWVKHWHYNJQD-UHFFFAOYSA-N	202.232	3.269	0	1	BGAF	
C[C@H](F)[C@@H](N)c1nc2cccc(C(C)(C)C)c2[nH]1	587125269	RYSRCPZWTYBAOT-GZMMTYOYSA-N	249.333	3.218	0	1	BGAF	
C[C@]1(CF)CC(=O)c2ccc3c(c2O1)CCCC3	587505341	KIHXREHTWCIHIG-OAHLLOKOSA-N	248.297	3.259	0	1	BGAF	
COc1cc(C(C)=CC(C)C)oc(=O)c1C	2356523945	KOQRMAQGZJRISQ-UHFFFAOYSA-N	222.284	3.016	0	1	BGAF	
C[C@H]1CCC=C2CC[C@H]3[C@@H]([C@@]21C)[C@]3(C)CO	13372659	DAUNXXZYAHCLLW-VNUKXSOBSA-N	220.356	3.387	0	1	BGAF	biogenic,in-vitro
CC(C)(C)COc1ccc2ccc(=O)oc2c1	205583305	RQMLUJJGVYFTQK-UHFFFAOYSA-N	232.279	3.218	0	1	BGAF	
CN(C)[C@@H]1CCc2[nH]c3c(Cl)cccc3c2C1	39214017	NHOAEOLTRGORRX-SECBINFHSA-N	248.757	3.240	0	1	BGAF	
C1=CC[C@@H](c2cc3ccccc3o2)CNC1	95585488	IHFKHNCURWJDHC-GFCCVEGCSA-N	213.280	3.066	0	1	BGAF	
CC1=CC[C@H]2[C@@H]3[C@@H](C(C)C)[C@@H](O)C[C@@]2(C)[C@H]13	13407592	BVCNHEVITXGCEP-PKCACUDHSA-N	220.356	3.242	0	1	BGAF	in-man
Cc1ccc2c(c1)[C@]1(C)CCC[C@@]1(C)C(=O)O2	15273727	AJPFVAMFLSGCAO-GJZGRUSLSA-N	230.307	3.362	0	1	BGAF	biogenic
CC(=N)NC1c2ccccc2Oc2ccccc21	28235912	HYVGZBRQTKUDDZ-UHFFFAOYSA-N	238.290	3.468	0	1	BGAF	
Oc1cc(O)c2c(c1)Cc1c-2[nH]c2ccccc12	45392255	IABLZJVCQVFTFA-UHFFFAOYSA-N	237.258	3.150	0	1	BGAF	
c1ccc(O[C@@H](c2ccccc2)C2CNC2)cc1	95552971	NRYBTKDRLFPUCG-INIZCTEOSA-N	239.318	3.026	0	1	BGAF	
N[C@@H]1[C@H]2CC[C@H]1c1cc(C(F)(F)F)ccc1C2	100698557	RBCLHKCRXOPGGK-PTOFAABTSA-N	241.256	3.082	0	1	BGAF	
CN(C)[C@@H]1C(c2ccccc2)=C[C@H]2CC[C@H]1C2	100954917	COWDKPMELZNFIV-NOLJZWGESA-N	227.351	3.430	0	1	BGAF	
CC(C)[C@@H]1CC[C@@H](C)[C@]23CC[C@](C)(O)[C@H]2[C@@H]13	205771146	KONGRWVLXLWGDV-QLKXBERHSA-N	222.372	3.466	0	1	BGAF	
CC(C)(O)[C@@H]1CC[C@]2(C)[C@H](C1)[C@@]1(C)CC[C@H]2O1	2356395254	NEAFXVXDYNEEDN-BUONHZGMSA-N	238.371	3.131	0	1	BGAF	
CC1=CC[C@](C)([C@]2(C)CCC[C@@]2(O)CO)CC1	14770167	ZRUBZTRZIXUUTD-SOUVJXGZSA-N	238.371	3.037	0	1	BGAF	biogenic
CCC(C)(C)c1cccc(OC(=O)NC)c1	84652229	SGMBBNNGVQPJBC-UHFFFAOYSA-N	221.300	3.092	0	1	BGAF	
OC[C@H]1CCC[C@@H](c2ccc(O)cc2)CC1	103227128	TYZPZHWTUNATHL-NWDGAFQWSA-N	220.312	3.048	0	1	BGAF	
Cc1nccc2[nH]c(/C=C\c3ccsc3)nc12	587025102	GPTSIAXZASOSIX-IHWYPQMZSA-N	241.319	3.498	0	1	BGAF	
CC1(C)O[C@]23[C@@H]1CCC[C@@]2(C)CCC[C@]3(C)O	2356428592	QSDDIDRVVWDTTL-UQOMUDLDSA-N	238.371	3.275	0	1	BGAF	
CC1=CC=C[CH]N1CC(=O)c1ccc(C)cc1	2356852436	QBNWWSJUXCTKGA-UHFFFAOYSA-N	226.299	3.115	0	1	BGAF	
Cc1ccccc1CSCC(=O)C(F)(F)F	13859432	YWKFOTNAUBNGOW-UHFFFAOYSA-N	248.269	3.360	0	1	BGAF	
COc1cc(/C=C/c2ccc(C)cc2)oc(=O)c1	33847662	QLUNYCJEMCODEG-BQYQJAHWSA-N	242.274	3.127	0	1	BGAF	
Fc1cccc(C2=NO[C@@H]3CCCC[C@@H]23)c1	95575570	PKWQJBJHZHZWHD-VXGBXAGGSA-N	219.259	3.119	0	1	BGAF	
O=NCC1CCN(CCCc2ccccc2)CC1	169723065	IHBFQJAFIMOXCQ-UHFFFAOYSA-N	246.354	3.098	0	1	BGAF	
Cc1c2c(cc3oc(=O)ccc13)OC(C)(C)C=C2	196411865	MERPEJKVTRDNGI-UHFFFAOYSA-N	242.274	3.286	0	1	BGAF	
CC(C)[C@]12C=C3[C@H](CC[C@@]3(C)O)[C@](C)(CC1)O2	238765033	WHSVRTGSYRNMKX-PMOUVXMZSA-N	236.355	3.051	0	1	BGAF	
CSc1ccc2nc(CC3CC3)[nH]c2c1	587963718	QZRQXBRMWMMBCP-UHFFFAOYSA-N	218.325	3.237	0	1	BGAF	
Clc1cc2nc(C=C3CCC3)[nH]c2cn1	587965475	UFAMLIBLGYSKSI-UHFFFAOYSA-N	219.675	3.179	0	1	BGAF	
CCc1nc2cc(OC)ccc2c2cc[nH]c12	1857748879	XFQCBHRBFXLMOD-UHFFFAOYSA-N	226.279	3.287	0	1	BGAF	
C[C@@H]1CC=C2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	14856495	RMMXVRYYNCFLLS-DYKVYRIISA-N	220.356	3.386	0	1	BGAF	biogenic
c1ccc(C[C@@H]2COC(c3ccsc3)=N2)cc1	14946224	HUHVJSXYULHZJW-CYBMUJFWSA-N	243.331	3.136	0	1	BGAF	
CN[C@@]12CC=CC[C@H]1CCc1ccc(OC)cc12	26156157	NYRRKAKFWGZUEO-BBRMVZONSA-N	243.350	3.022	0	1	BGAF	
NC12C[C@@H]3CC(C[C@@H](C3)C1)C21CCCCC1	95560722	KZSATBXDAFGSHG-DOOHLRMFSA-N	219.372	3.474	0	1	BGAF	
C[C@H]1CC[C@]2(C)[C@H](CO)[C@H]3[C@H]4CC[C@@]12[C@]43C	238739676	KQENRKWTJWRQNH-JWIBTAJGSA-N	220.356	3.077	0	1	BGAF	
CCCC/C=C/c1nc2ccnc(OC)c2[nH]1	587966200	SRFNSWBUNOFUEN-VOTSOKGWSA-N	231.299	3.170	0	1	BGAF	
COc1ccc2c(C)nn(C)c3cccc1c23	5191983	DXWZBFBWUGZCLO-UHFFFAOYSA-N	226.279	3.044	0	3	BGAF