smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C1C[C@H](c2ccccc2O)Oc2ccccc21	57926	KZKWCKFDCPVDFJ-OAHLLOKOSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vitro
NNc1c(Cl)cc(Cl)cc1C(F)(F)F	165486	ULVONSNGBHOIOM-UHFFFAOYSA-N	245.031	3.298	0	50	BGAA	in-vitro
Cc1cc(Cl)ccc1NC(=S)NC1CC1	305222	KLVJOVFKWVJIFS-UHFFFAOYSA-N	240.759	3.097	0	50	BGAA	
c1ccc2c(C[C@H]3CCCN3)cccc2c1	3732314	NXMHVSMJEUHOPT-CQSZACIVSA-N	211.308	3.134	0	50	BGAA	in-vitro
CCC[C@@]1(c2cccc(OC)c2)C[C@H](C)N(C)C1	5561346	FQHBZOZTHKHSBP-XJKSGUPXSA-N	247.382	3.457	0	50	BGAA	
O=C(O)c1ccc(CNCC2CCCCC2)cc1	10475238	UDJDQPAHYJVSPK-UHFFFAOYSA-N	247.338	3.055	0	50	BGAA	
O=C(O)c1cc(-c2ccccc2)ccc1F	20397753	CBDZTEBMHMCYCY-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
Nc1cccc(-c2ccc(F)cc2Cl)n1	67458725	XHSBJNHPLNCCLM-UHFFFAOYSA-N	222.650	3.123	0	50	BGAA	
Fc1cnc2ccc(Br)cc2c1	79065317	INAKIXQUXLAVOP-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
CC(C)(C)OC(=O)c1ccc2cc[nH]c2c1	90740006	JPPXEBLKCSJFQO-UHFFFAOYSA-N	217.268	3.123	0	50	BGAA	
CCOC(=O)/C=C(/C)c1cc(C)ccc1C	309381882	YZRRBXPYFQLBOT-XFXZXTDPSA-N	218.296	3.270	0	50	BGAA	
Cc1cc(-c2cncc(O)c2)nc2ccccc12	310734613	DGRNXIGXSBACIA-UHFFFAOYSA-N	236.274	3.311	0	50	BGAA	
Cn1c(=O)cc(-c2ccccc2)c2ccccc21	50915	QFSAWBIUJQQETK-UHFFFAOYSA-N	235.286	3.206	0	50	BGAA	
O=C(NCc1ccccc1)Nc1cccc(F)c1	170875	VAWPYOIWQADMOD-UHFFFAOYSA-N	244.269	3.147	0	50	BGAA	
O=C(c1cccc(F)c1)N1CCc2ccccc21	318621	GNEGMVPKYQKQGZ-UHFFFAOYSA-N	241.265	3.029	0	50	BGAA	
O=C(O)Cc1ccc(-c2ccc(F)cc2F)cc1	395713	ALNGFJXTPDCAMM-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	
CC(C)(C)C(=O)N1CCCc2ccccc21	3074243	GQSFXLVBZXYQDG-UHFFFAOYSA-N	217.312	3.012	0	50	BGAA	
CC(C)(C)c1cc(N)c2ccccc2n1	3202617	HEJQKYWPZHNEOV-UHFFFAOYSA-N	200.285	3.115	0	50	BGAA	
Oc1cccc2c1CCc1ccccc1C2	5225981	FAAPTPDNTLVVNO-UHFFFAOYSA-N	210.276	3.082	0	50	BGAA	
COc1ccc(-c2c[nH]c(C)n2)cc1Cl	65525705	SBNFCKBMNAXKQL-UHFFFAOYSA-N	222.675	3.047	0	50	BGAA	
CC[C@@H](C(=O)c1ccc(C)cc1)N1CCCC1	77303375	NXNPGAAZKYDOPW-AWEZNQCLSA-N	231.339	3.052	0	50	BGAA	in-vitro
CC[C@H]1C=CCN1C(=O)Nc1ccccc1F	97425184	ATAZWAIIJBIKKQ-JTQLQIEISA-N	234.274	3.008	0	50	BGAA	
Cc1ccccc1CCCN1C[C@@H]2CCC[C@@H]21	170665585	XYXKFEYDRKZHGA-HOTGVXAUSA-N	229.367	3.412	0	50	BGAA	
CC(C)=CCC[C@H](C)NC[C@@H]1CCCC[C@@H]1O	215923789	CFGUSOPSPICELP-KKUMJFAQSA-N	239.403	3.262	0	50	BGAA	
Clc1ncc(C2CCCC2)c(Cl)n1	238569301	YVQNZRAXNJOUSA-UHFFFAOYSA-N	217.099	3.441	0	50	BGAA	
Sc1nc(Cl)cc(-c2ccccc2)n1	238672713	YUGFVKHXWLGTFH-UHFFFAOYSA-N	222.700	3.086	0	50	BGAA	
O=Cc1cc(Cl)c(OC(F)F)cc1Cl	263622869	BOJUWIDOYBYCSX-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
COc1cccc(F)c1-c1ccc(C(C)=O)cn1	426689307	SHCAOVPGDYMUOB-UHFFFAOYSA-N	245.253	3.099	0	50	BGAA	
Cc1cc(F)ccc1N[C@H](C)Cc1ccno1	952995035	AWNZWZJFKNYQCC-SNVBAGLBSA-N	234.274	3.165	0	50	BGAA	
CC(C)c1nn(C)cc1-c1nc(C(C)(C)C)co1	1616036317	IZQLVYCYKOYKHU-UHFFFAOYSA-N	247.342	3.496	0	50	BGAA	
CC[C@@H](C)c1cc(=O)nc(-c2cccs2)[nH]1	1776003622	BDTPYIUTTDLUQZ-MRVPVSSYSA-N	234.324	3.012	0	50	BGAA	
CCc1ccc(NC(=O)c2ccco2)cc1	401764	CNRVCLKDBULOBG-UHFFFAOYSA-N	215.252	3.094	0	50	BGAA	
C[C@@](Cc1ccccc1)(C(=O)O)c1ccccc1	1682345	ZWIZUBYJTNGOPG-INIZCTEOSA-N	240.302	3.272	0	50	BGAA	
CCC(CC)C(=O)NCCCc1ccccc1	2754726	AGSGIARTGCBICX-UHFFFAOYSA-N	233.355	3.172	0	50	BGAA	
CCCC(=O)N[C@H](C)c1cc(C)ccc1C	6725734	MBAYRLRCILELKH-GFCCVEGCSA-N	219.328	3.281	0	50	BGAA	
CN(C)C(=O)CCc1ccc(C(C)(C)C)cc1	10313834	TZBJEJMBMAEOOT-UHFFFAOYSA-N	233.355	3.005	0	50	BGAA	
CC[C@H](C)NCc1ccccc1Br	10473018	OZEDSYIDDNQUQL-VIFPVBQESA-N	242.160	3.337	0	50	BGAA	in-vitro
c1ccc2nc(NCc3ccncc3)ccc2c1	21811992	PHCFFJIJKMDFFO-UHFFFAOYSA-N	235.290	3.242	0	50	BGAA	
C[C@H]1CCC[C@@]2(CC(=O)c3ccc(O)cc3O2)C1	49466354	DSODKSULHXYBLA-BONVTDFDSA-N	246.306	3.306	0	50	BGAA	biogenic
CC1=CC[C@@]23CCC[C@]12[C@@H](O)CC3(C)C	101140064	UQFWXNLHZNDNJG-IACUBPJLSA-N	206.329	3.284	0	50	BGAA	
C[Si](C)(C)N=S=N[Si](C)(C)C	170156619	JPAGRRHKURYWAM-UHFFFAOYSA-N	206.463	3.106	0	50	BGAA	
CCNc1cc(C)ccc1NC(=O)c1ccoc1	191376820	DSGKOTSVEFMTOW-UHFFFAOYSA-N	244.294	3.272	0	50	BGAA	
CC[C@@H](Cc1ccccc1)NC(=O)c1ccco1	247764	DYBAQNXFZFNQGN-ZDUSSCGKSA-N	243.306	3.031	0	50	BGAA	
Cc1cc(C)n(CNc2ccccc2Cl)n1	291636	HWUAGQKZGMONOI-UHFFFAOYSA-N	235.718	3.223	0	50	BGAA	
Clc1cccc(Cn2nc3ccccc3n2)c1	405402	ZSGIVNDLQBUNEA-UHFFFAOYSA-N	243.697	3.133	0	50	BGAA	
O[C@H](CNc1cccc(Cl)c1)c1ccccc1	1602637	WVOWBCQZGUWCNS-CQSZACIVSA-N	247.725	3.486	0	50	BGAA	
CCCCNC(=O)Oc1cccc2cccnc12	3091447	LQZULAVXSIVKGK-UHFFFAOYSA-N	244.294	3.123	0	50	BGAA	
CC[C@@H](N)CC12CC3CC(CC(C3)C1)C2	4125088	HUCUZLRORHFRHN-JEFIIJIESA-N	207.361	3.330	0	50	BGAA	
CC1(C)C[C@@]2(C)OC(=O)N[C@@]2(C)c2ccccc21	4717352	BZTQELZAQCTKGM-CABCVRRESA-N	245.322	3.082	0	50	BGAA	
CCN(CC)CCOc1cccc(C)c1C	4990034	BKRYKHHLQNEVRM-UHFFFAOYSA-N	221.344	3.024	0	50	BGAA	
CCCCc1ccc(-n2c(C)nnc2S)cc1	6390615	JCGFAYNCBGESDA-UHFFFAOYSA-N	247.367	3.207	0	50	BGAA	
CCCC(=O)Nc1nc(C(C)(C)C)cs1	16604015	WFXBDTITLWDERH-UHFFFAOYSA-N	226.345	3.179	0	50	BGAA	
C/C(=C\c1ccc(Br)cc1)[N+](=O)[O-]	21304245	YHCYQNXJXRRFFM-VOTSOKGWSA-N	242.072	3.087	0	50	BGAA	in-vitro
CCOc1ccc(O)c(Cl)c1Cl	39099508	BZEDBVSLHYNGDJ-UHFFFAOYSA-N	207.056	3.098	0	50	BGAA	
Cc1ccc(-c2cccc(C(=O)O)n2)c(C)c1	41248162	DAXMWEXZZVTQDV-UHFFFAOYSA-N	227.263	3.064	0	50	BGAA	
CNC(C)(C)[C@@H](c1ccccc1)C(C)C	96027454	PDYKFILZCQFOON-CYBMUJFWSA-N	205.345	3.424	0	50	BGAA	
N[C@H](c1ccsc1)C1(O)CCCCCCC1	958528725	SOJCSSAKDAIMKZ-GFCCVEGCSA-N	239.384	3.223	0	50	BGAA	
Cc1nc2cc(-c3cncc(N)c3)ccc2s1	1242500954	XCPDCFHMGZPXFE-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
CC[C@@H]1CCCN(c2nncc(C)c2C)CC1	1857668185	HBKLSAGKFZSQSL-CYBMUJFWSA-N	233.359	3.110	0	50	BGAA	
Cc1csc2cc(Br)cnc12	1857783584	ZXIHMXZJRLPYTC-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	
Cc1c(NC(=O)OC(C)C)sc(=S)n1C	174708	YEQPLFGAFKLGFG-UHFFFAOYSA-N	246.357	3.081	0	50	BGAA	
Cc1ccccc1C(=O)NCC1CCCCC1	395817	HQJRPOPBPJVYMM-UHFFFAOYSA-N	231.339	3.305	0	50	BGAA	
COc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1	407190	SBIKDPPNTNUXHT-AAEUAGOBSA-N	247.338	3.004	0	50	BGAA	
CCC(CC)NC(=O)/C=C/c1ccc(OC)cc1	464761	SPXCFGAFVLQEJK-DHZHZOJOSA-N	247.338	3.013	0	50	BGAA	
COc1ccc(CN[C@@H]2CCC[C@@H](C)C2)cc1	4989526	NFMRIHJKMQOQOC-TZMCWYRMSA-N	233.355	3.364	0	50	BGAA	
CCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1	6727113	WXSXTSAVYJRTHI-COPLHBTASA-N	231.339	3.082	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c(C)c1	6727202	DLFJYZDAKPUZNJ-OBJOEFQTSA-N	231.339	3.137	0	50	BGAA	
C[C@@H](NC[C@H](O)c1ccccc1)c1ccccc1	25436922	VKWJLDQFNZKCCM-CJNGLKHVSA-N	241.334	3.071	0	50	BGAA	
COc1cc(-c2ccccc2)ccc1O	31518074	HJFNQXYLCLOQJK-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	in-vitro
CCCC[C@@H](CO)N[C@@H](C)CCc1ccccc1	32592811	FEJDGPLMLCGCDK-HOCLYGCPSA-N	249.398	3.148	0	50	BGAA	
CC1=CC[C@]23CCC[C@]12C(=O)CC3(C)C	34215751	POQNOHLJOADRPG-UONOGXRCSA-N	204.313	3.492	0	50	BGAA	
CC(=O)N1CCC[C@@H](CCc2ccccc2F)C1	65526450	HRXUCUWRVIHGQK-ZDUSSCGKSA-N	249.329	3.017	0	50	BGAA	
CC(C)C(NC(=O)Cc1cccs1)C(C)C	72115421	JHDPZOBQPWPDIN-UHFFFAOYSA-N	239.384	3.087	0	50	BGAA	
CCCc1nnc(N[C@H](C)c2ccc(F)cc2)o1	95373978	AWJRDFSKFUNUGS-SECBINFHSA-N	249.289	3.334	0	50	BGAA	
COC(=O)c1ccccc1-c1ccc(C)cc1	1259344	IHNIAWHITVGYJJ-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
COc1ccc(CCNC2CCCCC2)cc1	4891808	IVUYPDJEKVUQJW-UHFFFAOYSA-N	233.355	3.160	0	50	BGAA	
Cc1cc(C)cc(NC(=O)c2ccccc2N)c1	5008382	BHJUDUUCXPTBQC-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
COc1cc(C(=O)O)ccc1-c1ccccc1	44199435	RZWKYHIPLJQCJV-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
CN(C)C[C@@H]1CCCC[C@H]1Oc1ccccc1	45067781	PCFONODKILRICO-DZGCQCFKSA-N	233.355	3.186	0	50	BGAA	
Cc1ccc(CN)c(Oc2ccccc2)c1	51580524	PTSAHOPIFMDHIX-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	in-vitro
Fc1ccccc1Cc1noc(-c2ccoc2)n1	225587800	IKWLYZRXAVOTNB-UHFFFAOYSA-N	244.225	3.060	0	50	BGAA	
Oc1cc(-c2cc(F)cc3cccnc23)ccn1	1243428352	QSUAXNCSPHAAGU-UHFFFAOYSA-N	240.237	3.142	0	50	BGAA	
c1csc(-c2nc3ccccc3[nH]2)c1	133515	XXCGVPNWMZKOER-UHFFFAOYSA-N	200.266	3.291	0	50	BGAA	
NC(=S)Nc1ccc(Oc2ccccc2)cc1	156295	SSZWMEWZRURHTK-UHFFFAOYSA-N	244.319	3.134	0	50	BGAA	in-vitro
O=C(O)c1cc2ccccc2n1-c1ccccc1	264464	WMHIWHPGXRRKJM-UHFFFAOYSA-N	237.258	3.329	0	50	BGAA	biogenic
COC(=O)COc1ccc(C2CCCCC2)cc1	310783	NDFMIOHKKUBOJQ-UHFFFAOYSA-N	248.322	3.286	0	50	BGAA	
Cc1c(-c2csc(N)n2)c2ccccc2n1C	533475	SHMYJDZPJJBVQW-UHFFFAOYSA-N	243.335	3.192	0	50	BGAA	
CC(C)(C)C1CCC(NC[C@@H]2CCCO2)CC1	757761	QSFNMOWUAVJEOD-RUXDESIVSA-N	239.403	3.360	0	50	BGAA	
O=C(O)c1sc2cccc(F)c2c1Cl	2557841	RMXOFPIRXDWBGE-UHFFFAOYSA-N	230.647	3.392	0	50	BGAA	in-vitro
Cn1nc(C(F)(F)F)cc1-c1cccs1	2577696	JLLXDLYHXVHVAT-UHFFFAOYSA-N	232.230	3.167	0	50	BGAA	
OCn1c2ccccc2c2cc(Cl)ccc21	2865246	HBUNWTRZYUAYIY-UHFFFAOYSA-N	231.682	3.398	0	50	BGAA	
Cc1cccc(NC(=O)Nc2cccc(C)n2)c1	6715251	DHRWIUASRIYWKI-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
O=C1Cc2ccccc2Nc2ccccc21	22005788	VSZGCLXGCOECAY-UHFFFAOYSA-N	209.248	3.169	0	50	BGAA	in-vitro
S=c1nc(-c2ccccc2Cl)cc[nH]1	31775997	ZZCFFEPWKRXMNZ-UHFFFAOYSA-N	222.700	3.460	0	50	BGAA	
CC(C)Oc1ccccc1-c1nc(CO)cs1	67562854	FDYTYILTVCBFMY-UHFFFAOYSA-N	249.335	3.090	0	50	BGAA	
Clc1ccc(C2=CCC[C@H]3CC[C@H]2N3)cn1	100012388	TVSNVPGPFGAKPT-CMPLNLGQSA-N	234.730	3.033	0	50	BGAA	in-vitro
CNc1nccc2ccc(Br)cc12	123738244	MYAFBXNMLMFQRI-UHFFFAOYSA-N	237.100	3.039	0	50	BGAA	
Cc1cnc(N2CCC[C@H]2c2cccnc2)s1	335759680	HPCPWDLMHCZOOO-LBPRGKRZSA-N	245.351	3.188	0	50	BGAA	
Cc1cc2nc(-c3ccccc3C)cn2cc1N	390834819	DSNNFEIIPYGJLX-UHFFFAOYSA-N	237.306	3.200	0	50	BGAA	
COc1cccc(Cl)c1-c1ccc(C=O)nc1	725375617	JQIXBGPMGKRMSO-UHFFFAOYSA-N	247.681	3.223	0	50	BGAA	
C=CC(=O)NCc1ccc(-c2ccccc2)s1	1336701047	BKLKMNNTWMVOIN-UHFFFAOYSA-N	243.331	3.217	0	50	BGAA	
COc1c(F)cccc1-c1nccn1C1CC1	1875249912	JIEYDSVEZJPUMD-UHFFFAOYSA-N	232.258	3.033	0	50	BGAA	
Cc1cc(-c2ocnc2Cc2ccccc2)on1	2356141835	RPDNKJPWDKXESU-UHFFFAOYSA-N	240.262	3.229	0	50	BGAA	
Cc1[nH]c2cc(Cl)cc(Cl)c2c1CCN	1235017	JCTJISIFGZHOFY-UHFFFAOYSA-N	243.137	3.284	0	50	BGAA	in-vitro
CCCCNc1ccc(C(=O)OCC)cc1	1848484	GTXRSQYDLPYYNW-UHFFFAOYSA-N	221.300	3.075	0	50	BGAA	in-vitro
COc1cc(C)c(-c2csc(N)n2)cc1C	4973719	KSMXEXXVHWOJAH-UHFFFAOYSA-N	234.324	3.018	0	50	BGAA	in-vitro
NC(=O)c1ccccc1-c1cc2ccccc2o1	32592918	OUPKYODQHXCPNX-UHFFFAOYSA-N	237.258	3.199	0	50	BGAA	
Oc1ccc(OCc2ccccc2)cc1F	34092634	OPRUTERQSYYYFE-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	
COc1cccc2ccc(Br)nc12	34578627	OFGAJQZBICFUAC-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
O=C(OC12CC3CC(CC(C3)C1)C2)C(F)(F)F	43198799	XVMCUCZHUFRUNL-UHFFFAOYSA-N	248.244	3.061	0	50	BGAA	
CC[C@H](CCc1ccccc1)N1CCCC1	96027036	UFPGTHNPRQOVGO-OAHLLOKOSA-N	217.356	3.494	0	50	BGAA	
CC1=CC[C@@H]2C(=O)[C@@H]3CC(C)=CC[C@H]3C(=O)[C@H]2C1	105105634	KPSCBYIEVIABQP-KPWCQOOUSA-N	244.334	3.083	0	50	BGAA	
Cc1cccc([C@@H]2CCCN2CC(F)F)c1	170626395	ZKCJNEMHCOFCCI-LBPRGKRZSA-N	225.282	3.397	0	50	BGAA	
C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1c1ccccc1	173948749	OXPKEBIDXFYVAF-IUODEOHRSA-N	243.350	3.049	0	50	BGAA	
COc1ccc(F)c(Cl)c1Br	261494483	YQDRDQHYTCIZIU-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
Oc1c(Br)cc(Cl)c(F)c1F	307053295	PQEYFTMSWCURAA-UHFFFAOYSA-N	243.434	3.086	0	50	BGAA	
O=C([C@H]1CC12CC2)N1CCCC2(CCCCC2)C1	335070232	SUFCCGUYACKDLX-CYBMUJFWSA-N	247.382	3.359	0	50	BGAA	
O=C(O)CC1(c2ccc(C(F)(F)F)cc2)CC1	1082221967	BXOZMWUXHIAPMB-UHFFFAOYSA-N	244.212	3.212	0	50	BGAA	
O=C(O)c1c(O)c(Cl)cc(Cl)c1Cl	56739	IIHCUZVBIMTHEB-UHFFFAOYSA-N	241.457	3.051	0	50	BGAA	in-vitro
CC(=O)c1ccc(N2CCCCC2)c(F)c1	264154	AOKPJIGYKRAPCQ-UHFFFAOYSA-N	221.275	3.019	0	50	BGAA	in-vitro
CC(C)C(=O)Nc1cccc(C(F)(F)F)c1	282117	GETMKVRSDFVVHL-UHFFFAOYSA-N	231.217	3.300	0	50	BGAA	
Cc1cc(C)n(CNc2cccc(Cl)c2)n1	291638	NFEGDWHMHSUBFU-UHFFFAOYSA-N	235.718	3.223	0	50	BGAA	
O=C1CCCC[C@H]1Sc1nc2ccccc2[nH]1	451169	LZANEDGITFZGIL-GFCCVEGCSA-N	246.335	3.167	0	50	BGAA	
Nc1ccc2c(c1)ncn2C1CCCCC1	577429	XVUBXOSDBYRFJX-UHFFFAOYSA-N	215.300	3.124	0	50	BGAA	in-vitro
CCOP(=O)(Cc1ccccc1)OCC	1691073	AIPRAPZUGUTQKX-UHFFFAOYSA-N	228.228	3.453	0	50	BGAA	in-vitro
O=C(O)/C=C/c1cccc(Cl)c1Cl	2572744	RCEWIEGWGDHVNK-SNAWJCMRSA-N	217.051	3.091	0	50	BGAA	in-vitro
Cc1ccc(C=O)c(OCc2ccccc2)c1	2574762	QXWUEDBTGJKGJV-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
CCOc1cc(C=O)ccc1OC1CCCC1	2597284	VPZVFXCBGLZFOZ-UHFFFAOYSA-N	234.295	3.219	0	50	BGAA	
CCCN[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	4981790	XGJOECLPDPPROH-UWJCENJNSA-N	249.398	3.160	0	50	BGAA	
CCOc1ccccc1-c1n[nH]c(=S)n1CC	5967890	RXAGEEYMIMQGIQ-UHFFFAOYSA-N	249.339	3.026	0	50	BGAA	
CCOc1ccc(NC(=O)N[C@H](C)CC)cc1	6742554	AXLAZAFBFRWKPT-SNVBAGLBSA-N	236.315	3.005	0	50	BGAA	
CCCC(CCC)(C(=O)O)C(F)(F)F	79387464	QWKVCVIFVDEKIW-UHFFFAOYSA-N	212.211	3.220	0	50	BGAA	
CC(=O)Nc1cc(Br)c(C)cc1C	142911054	BUMGIMQQEKRBBY-UHFFFAOYSA-N	242.116	3.024	0	50	BGAA	
C[C@@H](CN(C)Cc1nccs1)c1ccccc1	175106532	LBUOQRKFYLQKOC-LBPRGKRZSA-N	246.379	3.379	0	50	BGAA	
C[C@@H](c1cccc(O)c1)c1nc(C2CCC2)no1	1615572451	YWPCJBHWMXDIRA-VIFPVBQESA-N	244.294	3.195	0	50	BGAA	
O=c1oc2ccccc2cc1-c1ccccc1	57995	HWDSXZLYIKESML-UHFFFAOYSA-N	222.243	3.460	0	50	BGAA	biogenic,in-vitro
O=C(O)c1ccc(NCc2cccs2)cc1	186488	SHTQXYWTNXSOLW-UHFFFAOYSA-N	233.292	3.058	0	50	BGAA	
CCOC(=O)C(c1ccccc1)c1ccccc1	294561	PYPHPZOQIVEWHN-UHFFFAOYSA-N	240.302	3.382	0	50	BGAA	biogenic
CC(=O)N(c1c(C)cccc1C)C(C)C	399322	KDCDQCXATUPGKQ-UHFFFAOYSA-N	205.301	3.065	0	50	BGAA	
Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)cs1	1009131	NGIUCZGATOVMDM-BXKDBHETSA-N	237.368	3.365	0	50	BGAA	
CC(=O)O[C@H](C)C[C@H](C)CC(C)(C)C	2267880	NBDTZVVEDLDLSG-VHSXEESVSA-N	200.322	3.400	0	50	BGAA	
Fc1ccccc1NC(=S)N1CCCCC1	8683696	QBPJONIDRCVFLS-UHFFFAOYSA-N	238.331	3.008	0	50	BGAA	
Cc1ccc2ccc[n+](Cc3ccccc3)c2c1	15780618	PBVWXTNBHJXKJE-UHFFFAOYSA-N	234.322	3.484	0	50	BGAA	
CS[C@H](C)Cc1nc2c(C)cccc2[nH]1	67834456	BQHIMEUCLHCRDH-SECBINFHSA-N	220.341	3.165	0	50	BGAA	
Cc1ccc(F)c(-c2ccc(CC(=O)O)cc2)c1	85477227	VUMXAADANLEPKA-UHFFFAOYSA-N	244.265	3.428	0	50	BGAA	in-vitro
O=C(c1ccc(-c2ccccc2)cc1)c1ncc[nH]1	107849747	DSJJXGHPROFVQE-UHFFFAOYSA-N	248.285	3.308	0	50	BGAA	
CC(C)(C)c1ccc(C(=O)O)cc1Cl	122210611	COFPPRDWGOZYBP-UHFFFAOYSA-N	212.676	3.336	0	50	BGAA	in-vitro
C[C@@H](CO)N[C@@H]1CCCC[C@@H]1C1=CCCCC1	127560405	DWZCEGNIGTVBDP-NWANDNLSSA-N	237.387	3.016	0	50	BGAA	
COC(=O)c1ccc2c(c1)C1(CC1)CC(C)(C)O2	140779605	JDQSUDBYWMFXLI-UHFFFAOYSA-N	246.306	3.066	0	50	BGAA	
c1coc(CNc2nnc(CC3CCCC3)o2)c1	170592199	PJNIZPXHCFVFQE-UHFFFAOYSA-N	247.298	3.007	0	50	BGAA	
CC1(C)Cc2cc(Br)ccc2N1	220486741	RLDMEVIQFRQUMN-UHFFFAOYSA-N	226.117	3.196	0	50	BGAA	
CC(C)(C)n1ccc(C(=O)N[C@H]2C=CCCC2)c1	1857706148	BNEHRCKIZXLEFV-ZDUSSCGKSA-N	246.354	3.082	0	50	BGAA	
Cc1ccc(NC(=O)C(C)(C)C)c(C)c1	73445	UNNKNOWVLKOZRO-UHFFFAOYSA-N	205.301	3.288	0	50	BGAA	in-vitro
Cc1cc(N)cc(-c2nc3ccccc3o2)c1O	118671	IELACHKGVHRASW-UHFFFAOYSA-N	240.262	3.091	0	50	BGAA	
O=C(c1ccccc1)[C@H]1O[C@@H]1c1ccccc1	139134	UQGMJZQVDNZRKT-HUUCEWRRSA-N	224.259	3.009	0	50	BGAA	in-vitro
O=C(Nc1ccccc1)Oc1ccc(F)cc1	285719	MRANMUJLVDMWPX-UHFFFAOYSA-N	231.226	3.437	0	50	BGAA	
OC(c1ccc(Cl)cc1)(C1CC1)C1CC1	394400	OVIMMGOKMSTAHQ-UHFFFAOYSA-N	222.715	3.348	0	50	BGAA	in-vitro
Cc1cccc2c([C@H]3CCCN3C)c[nH]c12	2016833	PALMSMPURBFZAO-CYBMUJFWSA-N	214.312	3.243	0	50	BGAA	
C[C@@H]1CC[C@@H](C)[C@H](CCCCS(=O)(=O)O)C1	3200676	SMHOOPJVGBBTGZ-IJLUTSLNSA-N	248.388	3.117	0	50	BGAA	
C[S@](=N)c1ncc(Cl)cc1C(F)(F)F	4253905	MLOWTZYGRQMNBF-CQSZACIVSA-N	242.653	3.123	0	50	BGAA	
CC(C)N[C@H](C)c1c[nH]c2ccccc12	5456120	XQWQVJRSFNDGOD-SNVBAGLBSA-N	202.301	3.227	0	50	BGAA	in-vitro
O=C(O)c1ccnc(SCc2ccccc2)c1	5947174	NYKDXIPQSUIQNT-UHFFFAOYSA-N	245.303	3.072	0	50	BGAA	in-vitro
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	13331213	VHENGDJHZSQEQQ-XVKPBYJWSA-N	243.228	3.300	0	50	BGAA	
CC(C)COc1ccc(O)c(C(F)(F)F)c1	261494181	ROFADNKNVAUWNG-UHFFFAOYSA-N	234.217	3.446	0	50	BGAA	
COC(=O)Nc1ccc(Cl)cc1Cl	395493	UPPOJFBMUSCZEV-UHFFFAOYSA-N	220.055	3.172	0	50	BGAA	
Cn1c(-c2ccc(F)cc2)nc2ccccc21	401260	NIOPLOPPKJTSGQ-UHFFFAOYSA-N	226.254	3.379	0	50	BGAA	in-vitro
Cc1ccc2nc3c(c(C)c2c1)C[C@H](C)O3	463130	LJMHHJNVTDVBHH-VIFPVBQESA-N	213.280	3.175	0	50	BGAA	biogenic
COc1cc(C)c(C)cc1-c1csc(N)n1	2582665	KAUGCGYGMRWVFM-UHFFFAOYSA-N	234.324	3.018	0	50	BGAA	
Cc1cccc(C[C@H]2CCCCCN2)c1	3734989	BVEYMEOFVJRZEG-CQSZACIVSA-N	203.329	3.070	0	50	BGAA	in-vitro
N=C(N)SCCCCCC=C(Cl)Cl	4397783	SPWPZVQYULWTAG-UHFFFAOYSA-N	241.187	3.492	0	50	BGAA	
O=C(NC1CCCC1)C12CC3CC(CC(C3)C1)C2	5517142	CEKJUFPUEKUBPX-UHFFFAOYSA-N	247.382	3.262	0	50	BGAA	
Clc1cccc(OCCCn2ccnc2)c1	13284759	ZVTITKMMAYNKFE-UHFFFAOYSA-N	236.702	3.006	0	50	BGAA	
O=Cc1ccc(OCc2ccccc2)c(F)c1	20079300	UHPCUBUGXLMORP-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
O=C(CCc1ccc(F)cc1)Nc1ccccc1	48545852	CSHPULIXQWVGEI-UHFFFAOYSA-N	243.281	3.397	0	50	BGAA	
CC[C@H](c1ccc(F)cc1)C(C)(C)NC	96027462	GKUSMLYUTGPIDQ-GFCCVEGCSA-N	209.308	3.317	0	50	BGAA	
O=Cc1cc(F)c(Cl)c(C(F)(F)F)c1	96029422	ZRWYPNUFFZTHOX-UHFFFAOYSA-N	226.556	3.310	0	50	BGAA	
Cc1ccc(-c2nc3ccccc3o2)cc1N	122966	KXXDLQRHCXWKCH-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)c2ccc(N)cc2)cc1C	453229	KDQVEDYFNKJHLD-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
COc1ccc(OC)c(CNC2CCCCC2)c1	2573318	QOLDMSMUZHEJEG-UHFFFAOYSA-N	249.354	3.126	0	50	BGAA	
CCc1cc(C(=O)Nc2nccs2)cs1	2738251	GPALKTPFIVZLCJ-UHFFFAOYSA-N	238.337	3.019	0	50	BGAA	
CCCOc1ccccc1CNC(C)(C)C	2887316	WVYBCWFPXDVWLL-UHFFFAOYSA-N	221.344	3.364	0	50	BGAA	
O=C(c1ccccc1)N1CCC[C@@H]2CCC[C@@H]21	3160034	YJJWSCUKMWSVTL-JSGCOSHPSA-N	229.323	3.091	0	50	BGAA	
CC(C)C(=O)Nc1ccc2ccccc2c1	3163780	RSMXFUWWTBEBIG-UHFFFAOYSA-N	213.280	3.434	0	50	BGAA	
CC(C)Oc1c(Cl)cc(CN)cc1Cl	4866322	KNMXQBBUXZJPRH-UHFFFAOYSA-N	234.126	3.239	0	50	BGAA	
COc1ccccc1CNCc1cccc(F)c1	4891701	PWDNPJWFVLWKHV-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	
CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)cc1C	13746240	QZBGLPBRODKJIJ-STQMWFEESA-N	248.370	3.462	0	50	BGAA	
Cc1cccc2oc(-c3cc(N)ccc3O)nc12	22590505	JZECQOYTZPZHFM-UHFFFAOYSA-N	240.262	3.091	0	50	BGAA	
O=Cc1ccc(OC(F)(F)F)cc1Cl	95830586	SKDQZVYCAZFRQT-UHFFFAOYSA-N	224.565	3.051	0	50	BGAA	in-vitro
Cc1ccc(Sc2ncc(C)cn2)cc1	170590956	GXOVTFBMCHREND-UHFFFAOYSA-N	216.309	3.245	0	50	BGAA	
COc1nc(/C=C/C2CCCCC2)ncc1F	426444914	KKKIKQGTAFVVJM-BQYQJAHWSA-N	236.290	3.218	0	50	BGAA	
C=CC(=O)N[C@@H]1CCc2cccc3cccc1c23	1335331694	SDUDVGJOVZSBRV-CQSZACIVSA-N	237.302	3.129	0	50	BGAA	
Cc1cccc(-c2nc(C)c(C3CC3)c(O)n2)c1	1776004838	ZCNAFPYKAQJTJI-UHFFFAOYSA-N	240.306	3.343	0	50	BGAA	
O=C1O[C@H](Nc2ccc(F)cc2)c2ccccc21	183473	MLQKCVWRZPCHDQ-ZDUSSCGKSA-N	243.237	3.107	0	50	BGAA	
Cc1ccc(-c2cnc3ccccc3n2)cc1N	198813	KIPPPIPUONNFEI-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
COCc1c(C)c(C)c(COC)c(C)c1C	394718	NMPFIRUDZAAOCU-UHFFFAOYSA-N	222.328	3.213	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2ccc(OC)cc2)c1	464053	RZVVUWOQDFAFGW-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	in-vitro
CCCC(=O)Nc1ccc(NC(=O)CCC)cc1	491831	BGPQUYFDGCVKBT-UHFFFAOYSA-N	248.326	3.164	0	50	BGAA	
CCCOc1ccc2ccccc2c1CO	2093464	JKNQJQDURJGJGY-UHFFFAOYSA-N	216.280	3.121	0	50	BGAA	
Cc1cccc(-c2ccccc2C(=O)O)c1	2525660	OISTUEPTMQFDTB-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	in-vitro
Cc1ccccc1Cc1nc2ccccc2[nH]1	11735010	WNEAIKGZNMMIPC-UHFFFAOYSA-N	222.291	3.462	0	50	BGAA	in-vitro
C[C@@H]1CCC[C@]2(CC(=O)c3ccc(O)cc3O2)C1	11766604	DSODKSULHXYBLA-MEBBXXQBSA-N	246.306	3.306	0	50	BGAA	
c1ccc2cc(NC[C@@H]3CCCN3)ccc2c1	12404764	ODOOCQWSWZWLQU-HNNXBMFYSA-N	226.323	3.004	0	50	BGAA	in-vitro
O=C(Nc1cccnc1)Oc1ccc(Cl)cc1	22018772	BXWZVCYGBUKJAQ-UHFFFAOYSA-N	248.669	3.346	0	50	BGAA	
CC(C)OC(=O)c1cccc(Br)c1	32234843	XITGBNKZHSGOJC-UHFFFAOYSA-N	243.100	3.014	0	50	BGAA	
Fc1cc(Br)cnc1C(F)(F)F	66324269	ZYPJKTSNQGVERF-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	in-vitro
CCN1CCC[C@H](c2nc3c(C)cccc3[nH]2)C1	67726462	OPHACYRMKHVFBL-LBPRGKRZSA-N	243.354	3.071	0	50	BGAA	
COc1nccc2cc(Br)ccc12	91304674	ZXSUFWUXOVNEER-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
CC[C@H](C)CN(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	225420168	QABPKNDRUSPAMC-XDQVBPFNSA-N	237.387	3.317	0	50	BGAA	
Clc1nccc2nn(Cc3ccccc3)cc12	498050950	XEYWGUROMLHHCV-UHFFFAOYSA-N	243.697	3.133	0	50	BGAA	
Cc1nnc(-c2cccc(NC[C@H]3C[C@H]3C)c2)o1	683110099	PPMQCLHALOZHPL-BXKDBHETSA-N	243.310	3.113	0	50	BGAA	
C=CC(=O)Nc1ccc2oc(C)c(C)c2c1	863970856	WUKGMTXCEGBWNF-UHFFFAOYSA-N	215.252	3.174	0	50	BGAA	
COc1ccc2[nH]c3ccc(OC)cc3c2c1	219676	YQKMWXHJSIEAEX-UHFFFAOYSA-N	227.263	3.338	0	50	BGAA	in-vitro
Cc1ccc2c(c1)c1c3n2CCCN=C3CCC1	266036	PPKFJXXHBAHTSK-UHFFFAOYSA-N	238.334	3.479	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1cccc(F)c1	373326	AGOUKVVLCRJPJP-VIFPVBQESA-N	209.264	3.200	0	50	BGAA	
Cc1cc(SCC(=O)O)c(C)cc1Cl	397609	OEEPIGFTISQIKQ-UHFFFAOYSA-N	230.716	3.134	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1	432948	UIMAWPSUTFCVGO-OFFHKIPUSA-N	247.313	3.240	0	50	BGAA	
CC(C)(C)c1csc(NC(=O)C2CCC2)n1	1052166	SLJWJTZPWRGGKR-UHFFFAOYSA-N	238.356	3.179	0	50	BGAA	
Cc1ccc(CC(=O)c2ccccc2)cc1	1682382	WILFDKCJCDVGQX-UHFFFAOYSA-N	210.276	3.420	0	50	BGAA	in-vitro
CCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1	3159848	PXGCWKFAOBRYAR-HUUCEWRRSA-N	245.366	3.487	0	50	BGAA	
CC(C)(C)OC(=O)n1ccc2cc(O)ccc21	14984931	BYFYKCHJFIWCPC-UHFFFAOYSA-N	233.267	3.130	0	50	BGAA	in-vitro
Fc1cc(Br)c(S)c(F)c1F	36533008	IWNBVOJYLXDRHB-UHFFFAOYSA-N	243.047	3.155	0	50	BGAA	
Cc1cc(Br)ccc1S	36533067	FDBASSUDFNUONY-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
Clc1cc(Br)cc(Cl)n1	59634990	GUBXTQINPBZVJP-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
O/C(=C\[C@@H](O)c1cccs1)c1ccccc1	102313197	LDMWYIVOFDIQQN-UCQJPZFISA-N	232.304	3.381	0	50	BGAA	
CC1(C)CC2(CC2)c2cc(C=O)ccc2O1	140756993	DJFPMNRWVRZLIZ-UHFFFAOYSA-N	216.280	3.092	0	50	BGAA	
C[C@@H]1CN(CC2=CC[C@H]3C[C@H]2C3(C)C)C[C@@H](C)O1	822439375	FRFGTRYRIUTDCX-RJZRQDKASA-N	249.398	3.088	0	50	BGAA	
Cn1ccc2cc(CN3C[C@H]4CC[C@H]3C4)ccc21	825640378	LTGLIZNGCMDMKT-ZFWWWQNUSA-N	240.350	3.163	0	50	BGAA	
COc1ccc(NC(=O)C=C(C)C)cc1Cl	145702	IOWZEZBIDPWUQW-UHFFFAOYSA-N	239.702	3.253	0	50	BGAA	
Cc1ccc(-c2nc(C)c(C(=O)O)s2)cc1	168274	AJUWPIKGVOGPRL-UHFFFAOYSA-N	233.292	3.125	0	50	BGAA	
Nc1ccccc1Sc1ccccc1	247941	DGBISJKLNVVJGD-UHFFFAOYSA-N	201.294	3.420	0	50	BGAA	in-vitro
C[C@@H](CC(=O)NCc1ccco1)c1ccccc1	303202	XSEBTQOYEFXXLJ-LBPRGKRZSA-N	243.306	3.090	0	50	BGAA	
CCc1cc(C)[nH]c1C(=O)OCc1ccccc1	393120	HLCRCJDSWTYIDG-UHFFFAOYSA-N	243.306	3.243	0	50	BGAA	
CCn1c2ccccc2c2cc(N)ccc21	1850327	OXEUETBFKVCRNP-UHFFFAOYSA-N	210.280	3.397	0	50	BGAA	biogenic,in-vitro
COc1cc(Cl)c2cc(C)ccc2n1	2559151	IAGRNQIIOSWFLD-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
Cc1cccc(C)c1OCCCNC(C)(C)C	2898128	GHOGJQBNVZWHPY-UHFFFAOYSA-N	235.371	3.460	0	50	BGAA	
CC(=O)c1ccc(OC(F)(F)F)c(Cl)c1	34364935	BUSQQCHYIYPNTO-UHFFFAOYSA-N	238.592	3.441	0	50	BGAA	in-vitro
Cc1ccc([C@H]2NCCc3ccccc32)cc1F	83618971	ADPAPABJFDBSFF-MRXNPFEDSA-N	241.309	3.369	0	50	BGAA	
CC(C)(C)OC(=O)NC1(c2ccccc2)CC1	95930429	LOYKYRSYEAFKTO-UHFFFAOYSA-N	233.311	3.200	0	50	BGAA	
CN[C@@]1(c2ccccc2)CCCC[C@H]1C	96026885	LCQYIUFPUWBTAD-OCCSQVGLSA-N	203.329	3.311	0	50	BGAA	
C[C@H]1CN(C(=O)C2CC2)CC[C@H]1c1ccccc1	173948761	OXPKEBIDXFYVAF-SWLSCSKDSA-N	243.350	3.049	0	50	BGAA	
Cc1c(Br)cccc1-c1cc[nH]n1	725273340	VVVDKNZKTSYYQK-UHFFFAOYSA-N	237.100	3.148	0	50	BGAA	
CC[C@H](C)n1cnc2c(=O)oc3ccccc3c21	271791	BBXPLEOOEGUFNR-VIFPVBQESA-N	242.278	3.114	0	50	BGAA	
c1ccc2c(c1)Cc1ccccc1OCO2	436360	IXCQKGJMGWEDCH-UHFFFAOYSA-N	212.248	3.006	0	50	BGAA	
CCc1cccc(NC(=O)C2CCCC2)c1	475842	DIYPCQGHPOFEOM-UHFFFAOYSA-N	217.312	3.378	0	50	BGAA	
CCN(CC)CCCCOc1cccc(C)c1	2496992	WUJFNRUWHOSYRK-UHFFFAOYSA-N	235.371	3.496	0	50	BGAA	
C[C@@H]1CN(C(C)(C)C)CC[C@]1(O)c1ccccc1	3996529	BXLPAZLWXATNBH-CZUORRHYSA-N	247.382	3.015	0	50	BGAA	
O=C(O)/C(=C/c1cccs1)c1ccccc1	5584379	YWTATITWHQRQBK-FMIVXFBMSA-N	230.288	3.373	0	50	BGAA	in-vitro
CCCc1nnc(S)n1-c1ccc(C)cc1C	6391463	VHFXUCKJQNFFAO-UHFFFAOYSA-N	247.367	3.125	0	50	BGAA	
CC[n+]1ccc(/C=C/c2ccc(C)cc2)cc1	6707952	STPFFXHPRIQRSI-CMDGGOBGSA-N	224.327	3.473	0	50	BGAA	
CCCC[C@H](CO)N[C@H]1CCCC(C)(C)C1	20865590	PYZYMBDQQKDHSC-QWHCGFSZSA-N	227.392	3.096	0	50	BGAA	
CCC(C)(C)NC(=O)c1ccc(OC(C)C)cc1	42137539	USPGRPHYWMVFNT-UHFFFAOYSA-N	249.354	3.392	0	50	BGAA	
CC(C)CC[C@H](c1ccccc1)N(C)CC(=O)O	63848362	FMXMJJWJCYTNIJ-CQSZACIVSA-N	249.354	3.180	0	50	BGAA	
O=Cc1c(F)c(Cl)cc(F)c1Cl	67800178	LZDANQRZSCJYMT-UHFFFAOYSA-N	210.994	3.084	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2)cc1F	97756906	VOQRIRYZDZRVDN-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
C[C@H](N)c1cccc(SC(F)(F)F)c1	143356954	DTWKAEAIXLKPOH-LURJTMIESA-N	221.247	3.318	0	50	BGAA	
CC[C@@H](C)Oc1ccc(Br)nc1	146145172	CTGRZBJDBDTGLR-SSDOTTSWSA-N	230.105	3.021	0	50	BGAA	
CCc1ccccc1CNCC1(COC)CCC1	311125002	VDFIUUPMHHCUCO-UHFFFAOYSA-N	247.382	3.155	0	50	BGAA	
Cc1ncc(-c2cnc3cccc(F)c3c2)[nH]1	1857719334	KGQUNMSMKTXXBQ-UHFFFAOYSA-N	227.242	3.072	0	50	BGAA	
Cc1cccc(NC(=O)N2CCC(C)CC2)c1	401906	CLUWDNAJSWAVKD-UHFFFAOYSA-N	232.327	3.259	0	50	BGAA	
Cc1ccc(-c2ncn(-c3ccccc3)n2)cc1	408582	FQCONTWUPBOAQO-UHFFFAOYSA-N	235.290	3.243	0	50	BGAA	
CCCCN(C(=O)OCC)c1ccccc1	1614596	DYDBYWYPNAKHNO-UHFFFAOYSA-N	221.300	3.450	0	50	BGAA	in-vitro
NCCc1ccc(/C=C/c2ccccc2)cc1	2599334	BKOIAMMXTBGSGT-VOTSOKGWSA-N	223.319	3.358	0	50	BGAA	in-vitro
COc1ccc(Cl)cc1-c1ccc(C=O)o1	4541976	OMAOQPJGWUDXNE-UHFFFAOYSA-N	236.654	3.421	0	50	BGAA	
CC(C)c1ccc(Cn2ccnc2)cc1	4810399	LNMBNXOXZNCCHM-UHFFFAOYSA-N	200.285	3.055	0	50	BGAA	
C[C@@H](CCc1ccc(O)cc1)N1CCCCC1	4989204	DJRPAFVXBZRUJP-ZDUSSCGKSA-N	233.355	3.199	0	50	BGAA	
CCCCOc1ccc(-c2[nH]ncc2C=O)cc1	5156390	DJGWVBUFVDQWPI-UHFFFAOYSA-N	244.294	3.068	0	50	BGAA	
Cc1nnc(S)n1-c1cccc2ccccc12	5571473	DVZJQGOYWHSTTH-UHFFFAOYSA-N	241.319	3.018	0	50	BGAA	
O=C(Nc1cccc(Cl)c1Cl)NC1CC1	6731333	YRLPJOHUFHILNH-UHFFFAOYSA-N	245.109	3.277	0	50	BGAA	
C[C@@H]1CCC[C@H](NCc2ccco2)[C@@H]1C	19963179	GWSWIBYDUGAKRG-WZRBSPASSA-N	207.317	3.194	0	50	BGAA	
COc1cc(C(=O)O)cc(-c2ccsc2)c1	65349435	CZLWEVLOUKCJJZ-UHFFFAOYSA-N	234.276	3.122	0	50	BGAA	in-vitro
Cc1cnn(-c2ccc(NC(C)C)cc2)c1	65398972	VJDGLFPTTSQKQI-UHFFFAOYSA-N	215.300	3.001	0	50	BGAA	
Cc1ccsc1C(=O)Nc1cnn(C(C)C)c1	66411977	FULMRZYDNUYDLW-UHFFFAOYSA-N	249.339	3.086	0	50	BGAA	
Clc1cc2ncc(Br)cc2cn1	147599163	OJDAOPCNPLUPJK-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
COc1cc(OC)c2ccn([Si](C)(C)C)c2c1	170621764	WCMVJXMBVIUVLB-UHFFFAOYSA-N	249.386	3.342	0	50	BGAA	
O=C(C[C@@H]1C=CCCC1)N1CCCC2(CC2)C1	189242120	HTHNHKFZVUBXKE-CYBMUJFWSA-N	233.355	3.135	0	50	BGAA	
CC(C)c1cc(Br)cc(CN)c1	216528427	SVPGDVNZVIRPRH-UHFFFAOYSA-N	228.133	3.031	0	50	BGAA	
CN(C)c1nsc(/C=C/C2CCCCC2)n1	426388240	YPUYVIIQAWDZMV-CMDGGOBGSA-N	237.372	3.198	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1CCC[C@@H]2C[C@@H]21	585082922	SOBRSJBXBSGSNQ-OLZOCXBDSA-N	244.338	3.320	0	50	BGAA	
CCOc1ccc(CN2CC[C@@H]2C)cc1Cl	823383208	CZFMYOZKSBXEFF-JTQLQIEISA-N	239.746	3.333	0	50	BGAA	
O=Cc1cc(C2CC2)c(Br)s1	1848351044	PLOOFQNFFJAAKU-UHFFFAOYSA-N	231.114	3.201	0	50	BGAA	
C[C@@H]1CC2(CCCC2)[N+]([O-])=Cc2ccccc21	295259	XDNIMNHESODDHP-GFCCVEGCSA-N	229.323	3.436	0	50	BGAA	
Cc1cccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)c1	300920	RVRGKIYDOLOVIA-CHWSQXEVSA-N	229.323	3.370	0	50	BGAA	
CO[C@](C)(C(=O)c1ccccc1)c1ccccc1	402581	IMAHLMWOKFATMM-INIZCTEOSA-N	240.302	3.431	0	50	BGAA	
Cc1occc1C(=O)Nc1ccccc1Cl	442286	RXTRPZGYMRBVBY-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
NCCSCc1c(Cl)cccc1Cl	2510234	VCKWYLGEZYGACK-UHFFFAOYSA-N	236.167	3.185	0	50	BGAA	
Cc1ccc(-c2nc3ccc(N)cc3[nH]2)cc1	5446340	ZHKJCMPALYQWPE-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	
CCCCc1cc(=O)oc2cc(C)cc(O)c12	5869319	MPUOVBFEKQXBKX-UHFFFAOYSA-N	232.279	3.150	0	50	BGAA	
C[C@@H]1CCCCN1c1ccc(N)cc1Cl	8701181	OVCXMFMOMFMFAC-SECBINFHSA-N	224.735	3.301	0	50	BGAA	in-vitro
CCC(=O)N(Cc1ccccc1)c1ccccn1	13153271	UNEMFFBVNHTVPG-UHFFFAOYSA-N	240.306	3.025	0	50	BGAA	
O=C1c2ccccc2-c2cc3ccccc3n21	22590132	CWCKNFXYNDKAAA-UHFFFAOYSA-N	219.243	3.310	0	50	BGAA	
Cc1nnc(NCc2ccc(C(C)(C)C)cc2)o1	181493281	KUEJWUWUKAJKFZ-UHFFFAOYSA-N	245.326	3.288	0	50	BGAA	
C[C@H](N[C@H](C)c1ccsc1)c1ccnc(O)c1	340446875	QDUHDHCTRUFJPZ-VHSXEESVSA-N	248.351	3.261	0	50	BGAA	
CSC[C@@H](C)NCCCOC1CCCCC1	534651708	IMPRXAVFBBOGLI-GFCCVEGCSA-N	245.432	3.067	0	50	BGAA	
CC(=O)Sc1cc(O)c2ccccc2c1	725328016	HVUPWBNYJSWKJL-UHFFFAOYSA-N	218.277	3.184	0	50	BGAA	
c1csc(-c2nccn2C2CCC2)c1	1875248105	ZEZBJMBRPJSSCS-UHFFFAOYSA-N	204.298	3.337	0	50	BGAA	
c1ccc(Cc2ncoc2-c2ccncc2)cc1	2356166591	FDOYXSLYFJJMRT-UHFFFAOYSA-N	236.274	3.327	0	50	BGAA	
Cc1c(C)c2c(c(C)c1O)CCC(C)(C)O2	56973	SEBPXHSZHLFWRL-UHFFFAOYSA-N	220.312	3.421	0	50	BGAA	endogenous,investigational
O=C(O)C1c2ccccc2Oc2ccccc21	78659	VSBFNCXKYIEYIS-UHFFFAOYSA-N	226.231	3.009	0	50	BGAA	biogenic,in-vitro
CC(=O)N1c2ccccc2[C@@]2(C)CCCC[C@H]12	391674	XVIQHELYIGQADU-LSDHHAIUSA-N	229.323	3.253	0	50	BGAA	
Cn1cc(C(=O)c2ccccc2)c2ccccc21	478189	STRIBORQTQQOGQ-UHFFFAOYSA-N	235.286	3.409	0	50	BGAA	aggregator
CNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2	4031875	CTCYTNQJIKMARD-UHFFFAOYSA-N	235.371	3.119	0	50	BGAA	
Cc1cccc(Cl)c1OCCN1CCCC1	4989697	VKIYIHWONRLGDU-UHFFFAOYSA-N	239.746	3.123	0	50	BGAA	
Cc1ccccc1NC(=O)N1CCC[C@@H](C)C1	6703137	NQXDRTIDKGRVGA-LLVKDONJSA-N	232.327	3.259	0	50	BGAA	
C[C@@H](N)Cc1ccc2oc3ccccc3c2c1	30834286	NNNWHUROUDDELT-SNVBAGLBSA-N	225.291	3.476	0	50	BGAA	
CC(C)(C)c1ccc(Br)cn1	44121371	HAJSOFXLKFWERP-UHFFFAOYSA-N	214.106	3.142	0	50	BGAA	in-vitro
O=C(O)c1ccc(-c2ccccc2)c(Cl)n1	47207392	ZQVTXPUVKSEURY-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
CC1(C)CCC[C@@H](NCCNc2cccnc2)C1	67692189	KYHMOYRKWBZLKG-CYBMUJFWSA-N	247.386	3.052	0	50	BGAA	
Cc1ccc2c(c1)[C@H](Nc1cnn(C)c1)[C@@H](C)C2	157341046	FIBCXDZBYPFGQV-XHDPSFHLSA-N	241.338	3.074	0	50	BGAA	
CC[C@@H]1CCC[C@H]1N[C@H](C)c1ccccn1	225393306	PFNKOELXWPCNEL-YRGRVCCFSA-N	218.344	3.311	0	50	BGAA	
CCOC(=O)[C@H](C)[C@H](C)c1ccc(F)cc1	259479410	ADESQKOOUKEVNB-VHSXEESVSA-N	224.275	3.128	0	50	BGAA	
Clc1nccn2nc(-c3ccsc3)cc12	328579629	SPIUWOPQYPTARC-UHFFFAOYSA-N	235.699	3.111	0	50	BGAA	
CC1(C)C[C@H]1CNC(=O)c1sccc1Cl	336507555	WKHZNADZFGEMRZ-ZETCQYMHSA-N	243.759	3.177	0	50	BGAA	
S=c1nc[nH]c2sc3c(c12)CCCC3	127838	KUZMWCUBXLBJQY-UHFFFAOYSA-N	222.338	3.233	0	50	BGAA	in-vitro
Nc1nc(-c2ccc3c(c2)CCCC3)cs1	151161	XCDNQJNJCJJQEC-UHFFFAOYSA-N	230.336	3.271	0	50	BGAA	in-vitro
CCc1cccc(CC)c1NC(=O)C1CC1	253551	FRPONTCTSQNYEP-UHFFFAOYSA-N	217.312	3.160	0	50	BGAA	
COC(=O)CCSCc1ccc(Cl)cc1	2162025	PQEOEDRNMAZCCC-UHFFFAOYSA-N	244.743	3.136	0	50	BGAA	
FC(F)(F)c1nc2ccccc2s1	2169885	TWIPCCMPIAFOKZ-UHFFFAOYSA-N	203.188	3.315	0	50	BGAA	in-vitro
O=C(O)c1ccccc1C1CCCCC1	2565540	ZKTFZNPTAJIXMK-UHFFFAOYSA-N	204.269	3.433	0	50	BGAA	
CCCCn1c(C)cc(=O)c2ccccc21	4426101	PKUPVMASNMZASU-UHFFFAOYSA-N	215.296	3.110	0	50	BGAA	
Cc1ccccc1COc1ccc(C(=O)O)cc1	13456817	YBAKJGNELKZYKS-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	in-vitro
Cc1ccc2c(c1)[C@@H](Cc1cccs1)C(=O)N2	15017068	RNIBCZOOLFHTQO-GFCCVEGCSA-N	243.331	3.335	0	50	BGAA	
Nc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2	19337629	WNLDRDJKCNVTFW-UHFFFAOYSA-N	246.269	3.028	0	50	BGAA	biogenic
Nc1c(Cl)c(Cl)nc(Cl)c1Cl	19791602	CPLQYBDXWJHBST-UHFFFAOYSA-N	231.897	3.277	0	50	BGAA	in-vitro
c1ccc(OCC[C@@H]2CCCCO2)cc1	45027869	LIPYMHOUWIIRKU-ZDUSSCGKSA-N	206.285	3.025	0	50	BGAA	
CNc1cccc(NC(=O)OC(C)(C)C)c1	72482150	OYQSQKBDOJILSC-UHFFFAOYSA-N	222.288	3.075	0	50	BGAA	in-vitro
Cc1cc(C)cc(-c2cc(CNC(C)C)[nH]n2)c1	133543061	YETTZBVXJUGUIX-UHFFFAOYSA-N	243.354	3.192	0	50	BGAA	
CC(=O)c1cc(Cl)c(Br)cc1O	200462320	YQBKDWADCNMPSA-UHFFFAOYSA-N	249.491	3.011	0	50	BGAA	
COc1ccc(/C=C(\C)c2cnccn2)cc1C	221885756	FSSJIQAXXOMVLY-DHZHZOJOSA-N	240.306	3.354	0	50	BGAA	
CC(C)[C@H](C)CC(=O)N1CCC[C@H]2CCC[C@H]21	246767281	LUIRWYAZNQPLNQ-MGPQQGTHSA-N	237.387	3.460	0	50	BGAA	
Clc1ncc(-c2noc(C3CCC3)n2)s1	725273641	RNBXIVIVPUJONO-UHFFFAOYSA-N	241.703	3.114	0	50	BGAA	
Cc1c(C(F)(F)F)ccc(C(=O)O)c1Cl	1848350237	QRLVYFWODCUGIF-UHFFFAOYSA-N	238.592	3.365	0	50	BGAA	
Cc1cc(O)cc(C)c1-c1nccn1C1CC1	1875250688	XCMSRPQSORCWKX-UHFFFAOYSA-N	228.295	3.207	0	50	BGAA	
CCCc1noc(-c2ccc(Cl)cc2)n1	296045	BZDWLVORQXPBIL-UHFFFAOYSA-N	222.675	3.343	0	50	BGAA	
CC(C)Oc1ccc(Br)cc1C=O	336071	GRLHVQABEZCTRD-UHFFFAOYSA-N	243.100	3.049	0	50	BGAA	in-vitro
CCC[C@H](C)C(=O)Nc1cccc(NC(C)=O)c1	457214	OSVFLOPAUDCCRX-JTQLQIEISA-N	248.326	3.020	0	50	BGAA	
Cc1cc(F)ccc1C(=O)NCc1ccccc1	1079856	YGYCFXHQYJLTEP-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
OC[C@@H]1CC2c3ccccc3C1c1ccccc12	4531958	GKHXDBKHCPINBJ-OSSATUEASA-N	236.314	3.276	0	50	BGAA	biogenic
Oc1ccc(Br)cc1C(F)(F)F	6091815	PDPGERGWEOJVDC-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
CC1(C)CC(=O)c2cnn(-c3ccccc3)c2C1	16649045	XSPWHZOHZFIUBV-UHFFFAOYSA-N	240.306	3.027	0	50	BGAA	
CC1(C)CCN(c2ccc(C(=O)O)cc2)CC1	21993889	MNGVOIOJCKRYCZ-UHFFFAOYSA-N	233.311	3.011	0	50	BGAA	in-vitro
C[C@@H](c1ccccc1)c1ccc(O)cc1O	38325512	PQSXNIMHIHYFEE-JTQLQIEISA-N	214.264	3.250	0	50	BGAA	in-vivo
CCCC[S@@](=O)c1ccc(Cl)cc1	39269740	HNZJLTVSCRUHAI-ZDUSSCGKSA-N	216.733	3.248	0	50	BGAA	
CC(C)c1cnc(Br)s1	44121833	NUQPBEKNGDTVLD-UHFFFAOYSA-N	206.108	3.029	0	50	BGAA	in-vitro
CCC[C@H]1SCCN1C(=O)c1cccs1	118649765	YHHCHMMNVIQFSQ-SNVBAGLBSA-N	241.381	3.063	0	50	BGAA	
CN(Cc1ccsc1)c1ccnc(Cl)c1	121234453	WTAZVALHJFKMLL-UHFFFAOYSA-N	238.743	3.433	0	50	BGAA	
O=C1[C@@H]2CC=CC[C@@H]2C[C@@H]2CC=CC[C@@H]12	216298705	XARBVALIHBDTBL-YVECIDJPSA-N	202.297	3.124	0	50	BGAA	
O=Cc1cc(F)cc(Cl)c1Br	263623005	CULZZNRTLGUSCH-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
CCOc1ncccc1-c1ncc(C(C)C)cn1	426490344	SCPRWJIXXDNFJV-UHFFFAOYSA-N	243.310	3.061	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2cncc(N)c2)c1	426633917	MTIOEJXCDWCTFB-JTQLQIEISA-N	228.295	3.038	0	50	BGAA	
Cc1ccc(-c2ccc(C=O)nc2)cc1F	669384882	LJJVWGRMMLIHBF-UHFFFAOYSA-N	215.227	3.009	0	50	BGAA	
Clc1cc(Cl)nc(-c2ccccn2)c1	1772491494	PSUUOQSCIKVQDH-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
O=C(O)c1ccc(C2CC2)c(C(F)(F)F)c1	1875391514	MPVQPYXIRWJERR-UHFFFAOYSA-N	230.185	3.281	0	50	BGAA	
CCOc1ccccc1Nc1nc(C)cc(C)n1	150113	COQQZXMMTMDPHU-UHFFFAOYSA-N	243.310	3.236	0	50	BGAA	
Clc1ncnc2c1sc1ccccc12	338949	GRJAFENSUSLYET-UHFFFAOYSA-N	220.684	3.498	0	50	BGAA	
Cc1ccc(-c2cc(C(=O)O)c(C)o2)cc1	2548387	WWJLHTFFOPYRMV-UHFFFAOYSA-N	216.236	3.262	0	50	BGAA	in-vitro
Oc1ccc2c(-c3ccccc3F)noc2c1	32501408	MBIAINSIGWHGEA-UHFFFAOYSA-N	229.210	3.340	0	50	BGAA	
CCOc1cccc(-c2ccccc2CCN)c1	67919608	YAWFJSHFIUXUJG-UHFFFAOYSA-N	241.334	3.254	0	50	BGAA	
COc1cccc2cc(Br)cnc12	91692922	JRNNNZZQALLGQU-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
CCOC(=O)c1oc2cc(F)cc(F)c2c1C	383787433	LALNOPZIBCDCSK-UHFFFAOYSA-N	240.205	3.196	0	50	BGAA	
Cc1cc(-c2ccc3c[nH]c(=N)cc3c2)ccn1	426484950	ZGXFPKCFYOLCIM-UHFFFAOYSA-N	235.290	3.018	0	50	BGAA	
CC1=CC(C)(C)N(C)c2c(C(=O)O)cccc21	616591670	PSTYDZFOXBKJIC-UHFFFAOYSA-N	231.295	3.017	0	50	BGAA	
Cc1ccc(-c2nc3ccccc3c(=O)o2)cc1	84164	AUPLZGYHNMXILO-UHFFFAOYSA-N	237.258	3.163	0	50	BGAA	
CSc1ccccc1NC(=O)c1ccco1	129783	CLVLYTURWDSNSY-UHFFFAOYSA-N	233.292	3.254	0	50	BGAA	
CCSc1ccc2cc(OC)ccc2[n+]1CC	294869	DIIBQYOVQQKCGL-UHFFFAOYSA-N	248.371	3.268	0	50	BGAA	
O=C(O)CCc1cc(Cl)cc(Cl)c1	334860	GQICJNXGCGRFBA-UHFFFAOYSA-N	219.067	3.011	0	50	BGAA	in-vitro
Fc1ccc2nc(Cl)nc(Cl)c2c1	26894509	VLPYLGGGYDUVJN-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	in-vitro
NCc1c(Cl)cc(Cl)cc1OC(F)F	263624055	NBAVJXRZNZWFFH-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
Nc1c(Cl)cc(Br)cc1Cl	152665	NPQBZKNXJZARBJ-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	
Cc1cccc(NC(=O)OC(C)C)c1C	396605	KFZLMWAINDMQJH-UHFFFAOYSA-N	207.273	3.260	0	50	BGAA	
CO[C@@](C)(C(=O)c1ccccc1)c1ccccc1	402580	IMAHLMWOKFATMM-MRXNPFEDSA-N	240.302	3.431	0	50	BGAA	
CC(=O)Nc1cc(C)c(Br)c(C)c1	2519651	HXXWQYBIQBWFDI-UHFFFAOYSA-N	242.116	3.024	0	50	BGAA	
O=c1cc(-c2ccccc2)oc2cc(O)ccc12	5934541	MQGPSCMMNJKMHQ-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	biogenic,in-vivo
CC(C)Nc1nc(Cl)nc2ccccc12	11756083	LQPNVVORFHMPMC-UHFFFAOYSA-N	221.691	3.104	0	50	BGAA	
CC(C)=CCc1cc2ccc(=O)oc2cc1O	12153561	FIDUIAPDSKSUGO-UHFFFAOYSA-N	230.263	3.007	0	50	BGAA	biogenic,in-vitro
CC[C@@H](C)NC(=O)c1ccccc1C(F)(F)F	16648869	QMMPLMPGSYQVKD-MRVPVSSYSA-N	245.244	3.234	0	50	BGAA	
CCCCCCOC(=O)Nc1nccs1	22782238	SDAJAJRZWIAIAR-UHFFFAOYSA-N	228.317	3.272	0	50	BGAA	
Cc1cc2ccc(OC(F)(F)F)cc2[nH]1	38881538	RRLOHUDUPRNMML-UHFFFAOYSA-N	215.174	3.375	0	50	BGAA	in-vitro
O=C1C=C(C2([C@@H](O)c3ccccc3)CC2)CCC1	45071750	WNFDPYGPSCIGBQ-HNNXBMFYSA-N	242.318	3.180	0	50	BGAA	
Cc1nc(-c2ccccc2OC(C)C)c[nH]1	65491941	JIYWQRKNDBMXFP-UHFFFAOYSA-N	216.284	3.172	0	50	BGAA	
CO[C@H](C)c1cccc(-c2n[nH]c(C(C)C)n2)c1	96131851	LJICRVNIBPSZRR-SNVBAGLBSA-N	245.326	3.303	0	50	BGAA	
COc1cc(Br)ccc1C(F)F	200764794	UNWGRWICQOPHLY-UHFFFAOYSA-N	237.043	3.395	0	50	BGAA	in-vitro
c1coc(-c2nccn2Cc2ccsc2)c1	1875240627	CVNKQRAZDJYQOK-UHFFFAOYSA-N	230.292	3.253	0	50	BGAA	
CCc1cc2c(C)c(CC)c(=O)oc2cc1OC	449548	KREOCGFSQJQWOS-UHFFFAOYSA-N	246.306	3.235	0	50	BGAA	biogenic
CC[C@H](C)Cn1c(COC)nc2ccccc21	617380	XVTXACQXOWDAAX-NSHDSACASA-N	232.327	3.229	0	50	BGAA	
CCCCNCCOc1ccccc1CC	2931282	VKALLMPJVAPYAH-UHFFFAOYSA-N	221.344	3.018	0	50	BGAA	
CC[C@@H](C)Oc1c(Cl)cc(C=O)cc1OC	5655278	MCQWSEMSJCICFW-MRVPVSSYSA-N	242.702	3.338	0	50	BGAA	
CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O	5765327	SPVZAYWHHVLPBN-FAAOWNOOSA-N	242.624	3.028	0	50	BGAA	in-vitro
Cc1cccc(Oc2ccc(CN)cc2)c1	11864562	LCTHKXNDILXRIZ-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	
CNCCCOc1ccc(C)cc1C(C)(C)C	16293860	FGZXXUJSNVMGPK-UHFFFAOYSA-N	235.371	3.281	0	50	BGAA	
Clc1cccc(CCNCc2ccncc2)c1	23634807	DLCSMVUQFJIECR-UHFFFAOYSA-N	246.741	3.067	0	50	BGAA	
CC(C)OC(=O)c1ccc(Br)cc1	32222745	RTXXREYZBOONJV-UHFFFAOYSA-N	243.100	3.014	0	50	BGAA	
Cc1ccc(-n2ccnc2-c2ccco2)c(O)c1	77471010	WJYDRAFBWZQTHA-UHFFFAOYSA-N	240.262	3.146	0	50	BGAA	
C[C@@H]1C[C@@H](CC(=O)NCC2CC2)CC(C)(C)C1	170620610	XVWRPOIUPVWGRC-YPMHNXCESA-N	237.387	3.365	0	50	BGAA	
C[C@@H]1CC[C@@H](n2cc(-c3cccs3)nn2)C1	585124317	YHUWOBQRZZYTPH-NXEZZACHSA-N	233.340	3.368	0	50	BGAA	
Cc1nc2cc(-c3ncc(F)cn3)ccc2s1	1250476301	BOYHOAIDISXTFF-UHFFFAOYSA-N	245.282	3.201	0	50	BGAA	
CCc1nc(C)c(-c2nccn2[C@H]2C=CCC2)[nH]1	1875244114	NBQCGYHEXRRLLD-NSHDSACASA-N	242.326	3.035	0	50	BGAA	
COc1nc2ccccc2cc1-c1cnsc1	1875247340	STDQEWCRAYENPE-UHFFFAOYSA-N	242.303	3.367	0	50	BGAA	
O=C(c1ccc(Cl)cc1Cl)N1CCCC1	198801	ZAFKOFQLWXRRPV-UHFFFAOYSA-N	244.121	3.229	0	50	BGAA	
Cc1cnc2cc(Cl)c(Cl)cc2n1	478433	PMCYHTDCTXRDFL-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	
Cc1oc2c(cc(O)c3ccccc32)c1C(=O)O	3656841	KWWOZAUJADMVLR-UHFFFAOYSA-N	242.230	3.298	0	50	BGAA	biogenic
Cc1ccc(-c2cccc(C(=O)O)c2)cc1F	4204262	VEWZKMNALHTVOT-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
CC[C@@H](C(=O)c1ccccc1C)N1CCCC1	95215386	RZXMFZFHBTYBOE-AWEZNQCLSA-N	231.339	3.052	0	50	BGAA	in-vitro
CCS[C@@H]1CC[C@@H](NC[C@@H]2CCSC2)C1	226383638	NYQRONLGECOGMV-QJPTWQEYSA-N	245.457	3.003	0	50	BGAA	
CCc1nc(C)c(CN[C@@H](C)C2=CCCCC2)[nH]1	952974077	ZILXSYLWVIDBGX-NSHDSACASA-N	247.386	3.259	0	50	BGAA	
Cc1ccc(C(=O)[C@H](O)c2ccc(C)cc2)cc1	56685	NBYSFWKNMLCZLO-OAHLLOKOSA-N	240.302	3.220	0	50	BGAA	biogenic,in-vitro
Fc1ccc(NCc2ccc3c(c2)OCO3)cc1	236456	UJLOFZRCJRQALK-UHFFFAOYSA-N	245.253	3.167	0	50	BGAA	
CCOc1cc(C=O)cc(Cl)c1OC(C)C	336056	VSFQXMHWZURYIP-UHFFFAOYSA-N	242.702	3.338	0	50	BGAA	
CN(C(=O)N(C)c1ccccc1)c1ccccc1	389811	ADCBKYIHQQCFHE-UHFFFAOYSA-N	240.306	3.379	0	50	BGAA	biogenic,in-vitro
C[C@H](CC(=O)NC(C)(C)C)c1ccccc1	405518	UOKGTVHOPJEBCD-LLVKDONJSA-N	219.328	3.095	0	50	BGAA	
CCC[C@@H](C)C(=O)N1CCc2ccccc21	449955	RNAFRBJRXKWHSH-LLVKDONJSA-N	217.312	3.012	0	50	BGAA	
O=C(O)c1ccc(Nc2ccccc2)cc1	1601737	DPAMLADQPZFXMD-UHFFFAOYSA-N	213.236	3.128	0	50	BGAA	
Brc1ccc(-c2ccno2)s1	2509227	FCUZGSQWFAXBSB-UHFFFAOYSA-N	230.086	3.166	0	50	BGAA	in-vitro
OC1=NC(=S)S/C1=C/c1ccsc1	2573472	XXEBTKBRSLSLSF-ZZXKWVIFSA-N	227.335	3.077	0	50	BGAA	
Nc1nnc(-c2c(Cl)cccc2Cl)s1	3716250	JWLOJTWDBWTXHD-UHFFFAOYSA-N	246.122	3.094	0	50	BGAA	
COc1ccc(CNc2ccccc2O)cc1	4623250	DZLVSZGODZJYTE-UHFFFAOYSA-N	229.279	3.013	0	50	BGAA	in-vitro
SC1=NC2=C(CCCC2)C2(CCCCC2)N1	8828622	BNFUEZMEJGCGKN-UHFFFAOYSA-N	236.384	3.406	0	50	BGAA	
O=C(O)CCCCc1ccc(Cl)cc1	11631148	UYYNOIVMWZJAJV-UHFFFAOYSA-N	212.676	3.137	0	50	BGAA	in-vitro
Clc1ccc(O[C@H]2CCCCO2)cc1	32150913	BATPOJJUDDURGW-NSHDSACASA-N	212.676	3.245	0	50	BGAA	
CCOC(=O)c1ccc2c(c1)C(C)=CC(C)(C)N2	32255848	SPTWHGASFFFKIB-UHFFFAOYSA-N	245.322	3.471	0	50	BGAA	
CC(C)c1cc(Br)ccc1C(=O)O	67802826	ZVKWVPUYVKVUSM-UHFFFAOYSA-N	243.100	3.271	0	50	BGAA	
Brc1ccc([C@@H]2CC=CCO2)cc1	216026021	DYZBBSBAKBTDPW-NSHDSACASA-N	239.112	3.467	0	50	BGAA	
CCCOc1c(F)ccc(Cl)c1F	261494152	RBJUMUYNJBVYMY-UHFFFAOYSA-N	206.619	3.407	0	50	BGAA	
CCc1nn(C)cc1-c1cc(F)c(F)c(F)c1	426541769	YEKMGNCFPJNQBH-UHFFFAOYSA-N	240.228	3.067	0	50	BGAA	
Clc1ncc(CNC2CCCCC2)s1	585117155	SHMSKIWYQSYHGE-UHFFFAOYSA-N	230.764	3.219	0	50	BGAA	
O=C(Nc1ccccc1Cl)N1CCCCC1	28360	LHVUYBCZBJINTH-UHFFFAOYSA-N	238.718	3.358	0	50	BGAA	
O=C1SCC1(c1ccccc1)c1ccccc1	281164	DKCBNMPIUVMMSS-UHFFFAOYSA-N	240.327	3.246	0	50	BGAA	
Oc1ccc(O)c(-c2ccccc2Cl)c1	409172	XRKJFSFMYUQOSD-UHFFFAOYSA-N	220.655	3.418	0	50	BGAA	
CCCSC(=O)N(CCC)CCC	1843518	OKUGPJPKMAEJOE-UHFFFAOYSA-N	203.351	3.372	0	50	BGAA	biogenic,in-vitro
CCCCC[C@H](C)NC(=O)Cc1ccccc1	2060578	AXQPRWQTJNNBAO-ZDUSSCGKSA-N	233.355	3.314	0	50	BGAA	
CC[C@@H](NC(=O)C1CCCC1)c1ccccc1	2103105	HJRCYAPAZFWLNH-CQSZACIVSA-N	231.339	3.444	0	50	BGAA	
Cc1ccc(SC(=O)C(F)(F)F)cc1	2580776	UTLCXQRJYGDYOK-UHFFFAOYSA-N	220.215	3.176	0	50	BGAA	in-vitro
CCCCC(=O)NCc1ccccc1Cl	2864869	PUOFAUIBAPIVKM-UHFFFAOYSA-N	225.719	3.146	0	50	BGAA	
CCc1ccc(OCCNC(C)(C)C)cc1	2930937	SXEALRYVJDSJCL-UHFFFAOYSA-N	221.344	3.016	0	50	BGAA	
CC(C)(C)NCCOc1ccc(Cl)cc1	2932593	MXTXCMQOGSJCIR-UHFFFAOYSA-N	227.735	3.107	0	50	BGAA	
N=C(S)Nc1ccc(Cl)cc1Cl	13657234	HSWCDFOASWNGOM-UHFFFAOYSA-N	221.112	3.270	0	50	BGAA	in-vitro
CCN(CC[C@@H](C)c1ccccc1)CCN(C)C	22027660	HYRYLHSDPMAXOE-OAHLLOKOSA-N	248.414	3.064	0	50	BGAA	
CC(C)CC[C@H](C)N[C@@H](CO)Cc1ccccc1	32582015	IRBQRYUZSPJWGP-GOEBONIOSA-N	249.398	3.004	0	50	BGAA	
Clc1ncc2cc(Br)ccc2n1	35270057	NYQBZJFZEZEXFP-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
CC1=CC[C@]23CCC[C@@]12[C@@H](O)CC3(C)C	101140068	UQFWXNLHZNDNJG-UBHSHLNASA-N	206.329	3.284	0	50	BGAA	
C#Cc1ccc(C(F)(F)F)cc1Br	220806127	SUGVVVQXPOGYPY-UHFFFAOYSA-N	249.029	3.449	0	50	BGAA	
CN(CC1(C)CCC1)C(=O)OC(C)(C)C	238790037	NXMFZYZWDKSJCX-UHFFFAOYSA-N	213.321	3.044	0	50	BGAA	
Cc1ccc(C)c(-c2nc(=N)[nH]c(C)c2Cl)c1	426634370	ZMFSBQZVVFPBCR-UHFFFAOYSA-N	247.729	3.135	0	50	BGAA	
C[C@H]1CN(CC2=CC[C@H]3C[C@H]2C3(C)C)C[C@@H](C)O1	822439373	FRFGTRYRIUTDCX-MYZSUADSSA-N	249.398	3.088	0	50	BGAA	
CC[C@]1(C)OC(=O)N2CCc3ccccc3[C@@]21C	139858	OGJNMISUIGRWIJ-LSDHHAIUSA-N	245.322	3.079	0	50	BGAA	biogenic,in-vitro
CCOC(=O)c1cnc2ccccc2c1Cl	140160	DWXQUAHMZWZXHP-UHFFFAOYSA-N	235.670	3.065	0	50	BGAA	in-vitro
O=C(c1ccccc1)c1c[nH]c2ccccc12	142359	ADHQLIGSIQGNBW-UHFFFAOYSA-N	221.259	3.399	0	50	BGAA	biogenic,in-vitro
CC(C)N(Cc1nc2ccccc2[nH]1)C(C)C	615957	GQIKGPQNTHPGIN-UHFFFAOYSA-N	231.343	3.182	0	50	BGAA	aggregator
Cc1ccc(C)c(C(=O)C(F)(F)F)c1	2378561	BFBOWVWCPWSAGW-UHFFFAOYSA-N	202.175	3.048	0	50	BGAA	
Cc1nc([C@H]2CCOC(C)(C)C2)cs1	4795295	WBFXXJYCKPNBDU-VIFPVBQESA-N	211.330	3.124	0	50	BGAA	
CCCOC(=O)C12CC3CC(CC(C3)C1)C2	6880530	LVGMTYKQVATOOP-UHFFFAOYSA-N	222.328	3.156	0	50	BGAA	
Cc1ccc(C)c(CC(=O)Nc2ccccc2)c1	10700975	MAGCYDBBAVQQRU-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
CC(C)n1cc(-c2nc3ccccc3n2C)cn1	63870850	ZQBJDPIWTMBDBT-UHFFFAOYSA-N	240.310	3.018	0	50	BGAA	
Clc1cccnc1OCc1ccccc1	95495949	YKGCDGBHJFZNOK-UHFFFAOYSA-N	219.671	3.314	0	50	BGAA	
CCOc1ccc(C)c(Br)c1	144309146	GNTXPUQREWIXOK-UHFFFAOYSA-N	215.090	3.156	0	50	BGAA	
Oc1ccc(C2CC2)cc1Br	146782519	RWZSEVSIMJIQNE-UHFFFAOYSA-N	213.074	3.032	0	50	BGAA	
Cc1nnc([C@@H](C)N2C[C@@H](C)c3ccccc32)o1	229520673	NKWVIMOWJNCCEE-NXEZZACHSA-N	243.310	3.063	0	50	BGAA	
C[C@H]1C[C@@H](Nc2nccc3ccsc23)CCO1	310348282	OOWNDXPHQXPYEY-ONGXEEELSA-N	248.351	3.276	0	50	BGAA	
Clc1ccc(C2=CCC[C@@H]3CC[C@H]2N3)cn1	7013	TVSNVPGPFGAKPT-ZYHUDNBSSA-N	234.730	3.033	0	50	BGAA	in-vitro
COc1ccc(C(=O)Nc2ccc(C)cc2)cc1	123524	MMXPRQGDAUNXSX-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccs1	1021598	PLSHPWORDTXRNN-SXDPYWSBSA-N	249.379	3.456	0	50	BGAA	
COC(=O)Nc1ccc(SC(F)F)cc1	1168438	SIAMOWXZABBSAW-UHFFFAOYSA-N	233.239	3.180	0	50	BGAA	
Clc1ncc2c3c(sc2n1)CCCC3	2176603	OMJATFVQDSGHKF-UHFFFAOYSA-N	224.716	3.224	0	50	BGAA	
CCCCCc1ccc(CC(=O)O)cc1	2495980	YAAVVJAWWNQMCY-UHFFFAOYSA-N	206.285	3.046	0	50	BGAA	biogenic
CCCOc1ccc(NC(=O)C(C)(C)C)cc1	7660290	ZBAOEKOKIHNQCT-UHFFFAOYSA-N	235.327	3.460	0	50	BGAA	
CC[C@@H](C)NC(=O)c1ccc(OCC(C)C)cc1	10120486	XJWUGUWPVHABRG-GFCCVEGCSA-N	249.354	3.250	0	50	BGAA	
CCNc1ccc(Br)cc1F	19908050	GUPZNDCSKKVLCR-UHFFFAOYSA-N	218.069	3.020	0	50	BGAA	in-vitro
O=C(O)c1cc(-c2cccc(F)c2)ccc1F	38068227	ZOGPLQJNFXNZKX-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
Oc1c(Cl)cc(Cl)cc1-c1ccno1	100139354	NWTXPEMLVWSELN-UHFFFAOYSA-N	230.050	3.354	0	50	BGAA	
Cc1c2c(nn1-c1ccccc1)C[C@@H]1[C@@H]2C1(C)C	104619043	KQMINNNRYGRYFH-DOMZBBRYSA-N	238.334	3.476	0	50	BGAA	
CCCOc1cccc(Br)c1F	261493856	KUTAHJYIWMYGOJ-UHFFFAOYSA-N	233.080	3.377	0	50	BGAA	
O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@H]2CCCC[C@@H]21	685939543	JRZWIXQWIWPDQC-MRLBHPIUSA-N	247.382	3.214	0	50	BGAA	
Fc1cc2ncccc2cc1-c1ccncc1	1239609982	NVLRPRBPECIUPG-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
c1cnc2c(-c3nccn3C3CC3)cccc2c1	1875245182	NUTVXZLJRYSJDG-UHFFFAOYSA-N	235.290	3.433	0	50	BGAA	
C[C@@H](NC(=O)c1ccccc1F)c1ccccc1	59861	VIRPPWOXGYLSSI-LLVKDONJSA-N	243.281	3.317	0	50	BGAA	
Cc1n[nH]c(C)c1Sc1ccccc1	86548	APXWHRBKXVTMIZ-UHFFFAOYSA-N	204.298	3.178	0	50	BGAA	in-vitro
Cc1ccc(CN(C)Cc2ccccc2)o1	278104	PLXKOSIEYNAHBU-UHFFFAOYSA-N	215.296	3.220	0	50	BGAA	
c1ccc(Cn2ncc3ccccc32)cc1	301631	XWJHQOWAYSWCRY-UHFFFAOYSA-N	208.264	3.085	0	50	BGAA	in-vitro
CCCCN(C)C(=O)Nc1ccc(C)cc1	2171023	WEEHAIADZIGHTD-UHFFFAOYSA-N	220.316	3.259	0	50	BGAA	
N=C(O)C[C@H](c1ccc(F)cc1)c1ccco1	2815361	WHFLBQFRLCHZJO-LLVKDONJSA-N	233.242	3.476	0	50	BGAA	
CC(C)(C)c1ccc([C@H]2CCCN2)cc1	3732237	JFBLTILAHRPXNP-CYBMUJFWSA-N	203.329	3.409	0	50	BGAA	in-vitro
Cc1nc2c(C)cccc2c2c1C[C@@H](C)O2	4011600	IFFWTSCOALEAMI-SECBINFHSA-N	213.280	3.175	0	50	BGAA	biogenic
O=C(O)c1ccc(-c2ccc(Cl)cc2)[nH]1	5579698	KIUIWIJLBPLGPN-UHFFFAOYSA-N	221.643	3.033	0	50	BGAA	
COc1cc(CNc2cccc(F)c2)ccc1O	16663205	INDCWZCCJBAVTE-UHFFFAOYSA-N	247.269	3.152	0	50	BGAA	
O=Cc1cc(Cl)c(Cl)c(Cl)c1	34227241	GHMOHPITLLRUAC-UHFFFAOYSA-N	209.459	3.459	0	50	BGAA	in-vitro
CCOC(=O)Cc1cc(Cl)cc(Cl)c1C	263624419	QHEAIOPSXPGHMY-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
C=CC(=O)N[C@H](CC)c1ccc(Cl)s1	1335288306	XODXRXUKPHFXQY-SSDOTTSWSA-N	229.732	3.155	0	50	BGAA	
CCOc1ccc(C(=O)c2ccccc2)cc1	1692066	IBRIFDGHXDFGBY-UHFFFAOYSA-N	226.275	3.316	0	50	BGAA	
O=C(Cc1cccs1)N1CCCCCCC1	6730474	JPFBPFUUAYJAKP-UHFFFAOYSA-N	237.368	3.083	0	50	BGAA	
COc1ccc(OC)c2c(C)cc(=S)[nH]c12	16284027	YSRUOXZLMNJOLX-UHFFFAOYSA-N	235.308	3.223	0	50	BGAA	
FC(F)(F)c1ccc(C[C@H]2CCCNC2)cc1	22200499	UERYHSFWMVCBIC-LLVKDONJSA-N	243.272	3.248	0	50	BGAA	
COC(=O)c1c[nH]cc1Cc1cccc(Cl)c1	71864060	CIIWYZBTMMYGHA-UHFFFAOYSA-N	249.697	3.046	0	50	BGAA	in-vitro
COc1cccc(Oc2ccc(C(C)=O)cn2)c1	212861925	LWQQIOABCNJFGN-UHFFFAOYSA-N	243.262	3.085	0	50	BGAA	
Fc1cccc(OC(F)F)c1C(F)(F)F	263623397	HCFOCYFSNIFJGE-UHFFFAOYSA-N	230.107	3.446	0	50	BGAA	
C=CC(=O)Nc1ccc2c(c1)C=CC1(CCC1)O2	1336706470	TZQYLNRVOFNLHD-UHFFFAOYSA-N	241.290	3.139	0	50	BGAA	
O=C(O)c1cccc([C@@H]2CCC23CCC3)c1	1857787185	NDQLVOCKVUVAPF-LBPRGKRZSA-N	216.280	3.433	0	50	BGAA	
ON(Cc1ccccc1)Cc1ccccc1	130015	GXELTROTKVKZBQ-UHFFFAOYSA-N	213.280	3.078	0	50	BGAA	biogenic,in-vitro
CO[C@H]1CCCC[C@@H]1Nc1ccccc1	293053	AIWUEFRPZLVRCO-STQMWFEESA-N	205.301	3.056	0	50	BGAA	
Cc1cccc(C(=O)N[C@H]2CCCC[C@@H]2C)c1	382353	IWDUSYOWKCLIHJ-JSGCOSHPSA-N	231.339	3.304	0	50	BGAA	
CCOC(OCC)[C@H]1C[C@@H]1c1ccccc1	401589	XDFRERJYVKNAFM-OLZOCXBDSA-N	220.312	3.189	0	50	BGAA	in-vitro
COc1cccc(-c2cccc(C(=O)O)c2)c1	2574064	JFPVSZXZHHOWMI-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	
COc1ccc(CCN[C@@H]2CCC[C@H](C)C2)cc1	4989419	SBEGRBHIEYEKSK-DZGCQCFKSA-N	247.382	3.406	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)[C@H]1C[C@@H]1C	13325716	LXNYSNLGKLXJCK-CBAPKCEASA-N	223.703	3.243	0	50	BGAA	
c1coc(CNCc2cccc3[nH]ccc23)c1	14987989	PECGYDAPOGQCMU-UHFFFAOYSA-N	226.279	3.051	0	50	BGAA	
CCOC(=O)c1cc2ccc(C)c(C)c2nc1C	16123648	UHUXLFRXMAMRHH-UHFFFAOYSA-N	243.306	3.337	0	50	BGAA	
Brc1ccc2scnc2c1	30677661	KFDDRUWQFQJGNL-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
COc1cccc(-c2csc(C)n2)c1	54643052	NHVRCAUPZZJNGE-UHFFFAOYSA-N	205.282	3.127	0	50	BGAA	in-vitro
COc1c(Br)ccc(F)c1Cl	217106224	LCLJLXGYRPEQSH-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
NC1(c2ccc(F)cc2)CCC(F)(F)CC1	255187522	FDQGUWPVGJYLBJ-UHFFFAOYSA-N	229.245	3.189	0	50	BGAA	
O=[S@@](CC1CC(F)(F)C1)C1CCCCC1	334836362	MZUMCTLQEAAOQB-HNNXBMFYSA-N	236.327	3.113	0	50	BGAA	
CC(C)N[C@H](C)Cc1cccc2c1CCCC2	670419537	ZTKOBISATYWSAP-CYBMUJFWSA-N	231.383	3.494	0	50	BGAA	
Cc1ccc(NC(=O)c2ccccc2N)c(C)c1	150126	JCXCMHQZXXYQPS-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
O=C(/C=C/c1ccccc1)N1CCCCCC1	238031	WHZDUEFIOHTVLZ-ZHACJKMWSA-N	229.323	3.102	0	50	BGAA	
CC1CCN(C(=O)c2cc3ccccc3o2)CC1	620251	XNQRJSVFBWPVGG-UHFFFAOYSA-N	243.306	3.305	0	50	BGAA	
O=c1oc(/C=C/c2ccccc2)nc2ccccc12	4028911	KBAXULDFOCTUNQ-ZHACJKMWSA-N	249.269	3.358	0	50	BGAA	biogenic
Cc1ccc2nc3c(c(N)c2c1)CCCCC3	4697516	MKSVFVUUGMOBJE-UHFFFAOYSA-N	226.323	3.394	0	50	BGAA	
CC(=O)O[C@@H](C)CC(C)(C)c1ccccc1	6020403	MXIGGIZQUGDKAP-NSHDSACASA-N	220.312	3.306	0	50	BGAA	
COc1ccc(CNCC(C)C)cc1Cl	20927970	DUGPZPNMISWTAL-UHFFFAOYSA-N	227.735	3.094	0	50	BGAA	
Cc1nn(C)c2nc3ccccc3c(Cl)c12	39648543	CLRNUDVGJVDYTG-UHFFFAOYSA-N	231.686	3.083	0	50	BGAA	
CCC(=O)N[C@H](CC(C)C)c1ccc(OC)cc1	71375568	GBNYNHVLQWDMIL-CQSZACIVSA-N	249.354	3.309	0	50	BGAA	
CCC[C@@H]1CCCN(C(=O)C2[C@@H]3CCC[C@@H]23)C1	248192419	MIENYBXBBDIKNN-JHJVBQTASA-N	235.371	3.071	0	50	BGAA	
O=Cc1ccc(OCc2ccccc2)cc1	119353	ZVTWZSXLLMNMQC-UHFFFAOYSA-N	212.248	3.078	0	50	BGAA	in-vitro
Oc1cc(-c2ccc(-c3ccccc3)cc2)[nH]n1	5028121	RAAFLXNVHYREEI-UHFFFAOYSA-N	236.274	3.449	0	50	BGAA	
CCN(CC)CCN(CC)[C@@H]1CCC[C@@H](C)C1	22027693	LVJUHNAOMWUPSU-HUUCEWRRSA-N	240.435	3.229	0	50	BGAA	
O=C(NCC1=CCCCC1)c1cccc(F)c1	72446633	MXVCYYVQXSIFAX-UHFFFAOYSA-N	233.286	3.056	0	50	BGAA	
c1cc2c(cc1N[C@@H]1C[C@H]3CC[C@H]1C3)OCO2	101833215	CCPSLTRUBGOSNE-JBLDHEPKSA-N	231.295	3.016	0	50	BGAA	
Cc1nc(CN2[C@H](C)C[C@H]3CCCC[C@H]32)oc1C	247695199	WOYDVHAKJVFTHE-LERXQTSPSA-N	248.370	3.444	0	50	BGAA	
C1=C[C@H](n2ccnc2-c2cnsc2)CCC1	1875240486	VBQJRELHYKXTNC-NSHDSACASA-N	231.324	3.288	0	50	BGAA	
C1=C(c2cccc3sncc23)CCOC1	1875304553	NLIGTCBGPXNLDD-UHFFFAOYSA-N	217.293	3.100	0	50	BGAA	
CN(C(=O)Nc1ccc(F)cc1)c1ccccc1	102840	WWVCKJBFVNZVML-UHFFFAOYSA-N	244.269	3.494	0	50	BGAA	
O=C(c1scc2c1CCCC2)N1CCCCC1	140145	YUXAASKJLIZBMK-UHFFFAOYSA-N	249.379	3.253	0	50	BGAA	
O=C(Nc1ccccc1)Nc1ccc(F)cc1	240800	NMUDSMIGLOAQKY-UHFFFAOYSA-N	230.242	3.470	0	50	BGAA	
CC(=O)Nc1cc(C)c(Br)cc1C	399847	TZQCMOHJNDKIEZ-UHFFFAOYSA-N	242.116	3.024	0	50	BGAA	
CCOc1ccc(NC(=O)c2ccoc2C)cc1	2741795	IUJNKCGJLYDYPN-UHFFFAOYSA-N	245.278	3.239	0	50	BGAA	
CCN(CC)CCOc1c(C)cc(C)cc1C	4989915	PXBXFMYMLDAWMU-UHFFFAOYSA-N	235.371	3.332	0	50	BGAA	
O=C(O)c1cc(F)cc(OCc2ccccc2)c1	141769443	HVZBXDHNZDYNAS-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	
Cc1ncsc1-c1ccc([C@H](C)N)cc1	585164195	CNZNRMWCDRNGBO-QMMMGPOBSA-N	218.325	3.138	0	50	BGAA	
CC(C)(C)C[C@H](N)C1(O)CCCCCCC1	958528289	PYKHTNRNXZTMLO-LBPRGKRZSA-N	227.392	3.225	0	50	BGAA	
O=[N+]([O-])/C=C/c1c(Cl)cccc1Cl	96681	VXNHQIKJDIOBEC-SNAWJCMRSA-N	218.039	3.241	0	50	BGAA	
Brc1ccc(-c2ccno2)cc1	158744	AVMMSHZGFRWLRI-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
Cc1cc2cc(Br)ccc2[nH]1	403324	BJUZAZKEDCDGRW-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
CCCC[C@@H](CC)CNC(=O)c1ccncc1	2738484	XGMKWXWOTWETKX-GFCCVEGCSA-N	234.343	3.028	0	50	BGAA	
O=C(O)c1ccc(Sc2ccccc2)o1	3850596	PIXPAIDQEWKTIX-UHFFFAOYSA-N	220.249	3.129	0	50	BGAA	biogenic
O=C(c1c(F)ccc(Cl)c1F)C(F)(F)F	40571889	PUQQCGUFKLKOLU-UHFFFAOYSA-N	244.546	3.363	0	50	BGAA	
Cc1cc(-c2cccc(C=O)c2)ccc1O	65340248	IPZYCXWUWRCUCX-UHFFFAOYSA-N	212.248	3.180	0	50	BGAA	
CCCOc1ccc(Cl)c([N+](=O)[O-])c1	146429876	PVKROJFIAFBJIR-UHFFFAOYSA-N	215.636	3.037	0	50	BGAA	
O=Cc1ccc(O[C@H]2C[C@@H]2c2ccccc2)cc1	170598587	VXDMJAYTTSOTNK-CVEARBPZSA-N	238.286	3.434	0	50	BGAA	
Nc1cc(C(F)(F)F)ccc1C(F)(F)F	120651	XWMVIJUAZAEWIE-UHFFFAOYSA-N	229.123	3.306	0	50	BGAA	in-vitro
O=C(c1ccc(Br)cc1)C1CC1	394608	QTHHOINSCNBYQO-UHFFFAOYSA-N	225.085	3.042	0	50	BGAA	in-vitro
Cc1ccc([C@H](C(=O)O)c2ccccc2)cc1	2039148	JYDAJZSDPZCZSG-CQSZACIVSA-N	226.275	3.212	0	50	BGAA	in-vitro
FC(F)[C@H]1C[C@@H](c2ccccc2)Nc2ccnn21	2782642	RELKPDKPDFACSX-WDEREUQCSA-N	249.264	3.246	0	50	BGAA	
CCc1cccc(OCCCNC(C)(C)C)c1	3003875	GNAXARPQGTWZMJ-UHFFFAOYSA-N	235.371	3.406	0	50	BGAA	
CC1(C)[C@@H]2C=C(c3ccccc3)[C@@]1(C)C[C@@H]2O	5179830	GEYMRTRRDLCIEX-IJEWVQPXSA-N	228.335	3.497	0	50	BGAA	
CCCOc1ccc(-c2cnc(N)s2)cc1	12513686	GVMLVISBGISTOX-UHFFFAOYSA-N	234.324	3.181	0	50	BGAA	
Cc1ccccc1[C@H](C)NC(=O)C(C)(C)C	32978724	QYJFLUDRVKPSFN-NSHDSACASA-N	219.328	3.218	0	50	BGAA	
Fc1cc(F)c2c(Br)ccnc2c1	36075562	IDCPJMXIWPFVIX-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	in-vitro
Cc1ccc(F)c(Br)c1F	59549764	QKNUXBGHHVRFQI-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	
CC(C)(C)c1ccc2nc([C@@H]3CCOC3)[nH]c2c1	67587469	HHOVRJXEZYMJFS-SNVBAGLBSA-N	244.338	3.364	0	50	BGAA	
COc1ccc(-c2ncc(Cl)cn2)c(C)c1	67642425	AQNVXUCWISRUAX-UHFFFAOYSA-N	234.686	3.114	0	50	BGAA	
CC(=O)Nc1ccc(-c2ccsc2)cc1	113335560	GAEYLLVJQIMTNJ-UHFFFAOYSA-N	217.293	3.374	0	50	BGAA	
c1c[n+](C2CCCC2)cn1C1CCCC1	114150712	IYVOLOORQGEGRC-UHFFFAOYSA-N	205.325	3.006	0	50	BGAA	
CC(C)c1cccc(Br)c1N	137484609	ULVPSEWVTXEODV-UHFFFAOYSA-N	214.106	3.155	0	50	BGAA	
Cc1sccc1-c1ccc(C(=O)O)s1	227808279	ZICHMJOBSQZMSJ-UHFFFAOYSA-N	224.306	3.483	0	50	BGAA	
Cc1ncsc1CCN1CCCC12CCC2	373104201	MNWRCUFMHGITSA-UHFFFAOYSA-N	236.384	3.013	0	50	BGAA	
Cc1cccc(-c2nnc(-c3ccc(C)o3)o2)n1	1322626419	IIXHAJCSUBKOQU-UHFFFAOYSA-N	241.250	3.008	0	50	BGAA	
C[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	29233	JLONTIZITXBHKW-JTQLQIEISA-N	237.730	3.212	0	50	BGAA	
O=Cc1ccc(Sc2nc3ccccc3[nH]2)o1	75657	CATAEVIKQDVMNF-UHFFFAOYSA-N	244.275	3.120	0	50	BGAA	
CC[C@@]1(C)OC(=O)N2CCc3ccccc3[C@]21C	139856	OGJNMISUIGRWIJ-CABCVRRESA-N	245.322	3.079	0	50	BGAA	biogenic,in-vitro
COc1cccc(C(=O)Oc2ccc(F)cc2)c1	149571	CZYOUXOSNMEUKB-UHFFFAOYSA-N	246.237	3.054	0	50	BGAA	
CC(C)(C)c1[nH]c2ccccc2c1C=O	153967	HKBWAYDAIZSXQS-UHFFFAOYSA-N	201.269	3.278	0	50	BGAA	in-vitro
S=c1[nH]ccn1-c1ccc(Cl)cc1	169457	QJWMVYCYPCPSKK-UHFFFAOYSA-N	210.689	3.188	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Nc2ccccn2)cc1	291255	COFCQAJEVHDIQN-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
Cc1cccc(C(=O)N[C@@H](C)c2ccccc2)c1	299723	BLNZWUKUCJJHHA-ZDUSSCGKSA-N	239.318	3.486	0	50	BGAA	
CC(C)c1ccccc1NC(=O)CCCC(=O)O	376290	ULJUPROKRIVQKR-UHFFFAOYSA-N	249.310	3.003	0	50	BGAA	
Cc1cccc(NC(=O)[C@@H]2CCOC(C)(C)C2)c1	522131	SONQUHQFDGQVNN-GFCCVEGCSA-N	247.338	3.139	0	50	BGAA	
Cc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1	565795	FMRSEGPACXSFEQ-UHFFFAOYSA-N	240.258	3.027	0	50	BGAA	in-vitro
CC(C)(C)CC(C)(C)NC(=O)c1ccco1	614980	IEQSBOIWEKBMGB-UHFFFAOYSA-N	223.316	3.224	0	50	BGAA	
O=C1CC2c3ccccc3C1c1ccccc12	1581650	FGNVGVBNBOAUFU-UHFFFAOYSA-N	220.271	3.237	0	50	BGAA	
O[C@@H]1CCCCCCCc2ccc(cc2)C1	4795160	XPPUVKGHKOLASC-OAHLLOKOSA-N	218.340	3.487	0	50	BGAA	
c1ccc(N2CCN(c3ccccc3)CC2)cc1	8462937	LLZRSOPHIGKISM-UHFFFAOYSA-N	238.334	3.013	0	50	BGAA	
CC[C@H](NC)c1ccc(Br)cc1	11757531	WGEDWIJMOODFIG-JTQLQIEISA-N	228.133	3.120	0	50	BGAA	in-vitro
Cc1ccc(-c2ccc(F)cc2C(=O)O)cc1	38068115	KLQRZTPYWXTRHO-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	
Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1F	85477121	JLIYQKWGCTXJFB-UHFFFAOYSA-N	244.265	3.428	0	50	BGAA	in-vitro
CCOC(=O)c1c(Cl)cc(F)cc1Cl	263623413	HFVPHKDXMHFWOJ-UHFFFAOYSA-N	237.057	3.309	0	50	BGAA	
CCOc1ccc(-c2ccc(F)nc2)c(C=O)c1	263624413	QFLMEFBMUUFHGC-UHFFFAOYSA-N	245.253	3.099	0	50	BGAA	
CC(C)(C)OC(=O)c1cc(Cl)cnc1Cl	575442248	UKGYQNVGBHMGOD-UHFFFAOYSA-N	248.109	3.344	0	50	BGAA	
CNCc1ccc(Cl)c(Cl)c1C	1875359557	IUXGHKBMWZMBHS-UHFFFAOYSA-N	204.100	3.021	0	50	BGAA	
Cc1cc(=S)cc(C)n1Cc1ccco1	101532	NRMQTOFCDKOODL-UHFFFAOYSA-N	219.309	3.476	0	50	BGAA	
Cc1ccc(Nc2cccc3nonc23)cc1	194994	SRTOOIVPXWISCF-UHFFFAOYSA-N	225.251	3.275	0	50	BGAA	
CC[C@H](C)Cn1c([C@@H](C)O)nc2ccccc21	352657	IEHLYXZIMXYSLV-WDEREUQCSA-N	232.327	3.136	0	50	BGAA	
Cc1ccc2c(c1)[C@@H](c1ccccc1)CC(=O)O2	522145	SUHIZPDCJOQZLN-CYBMUJFWSA-N	238.286	3.436	0	50	BGAA	in-vitro
CCC[C@H](C)NC(=O)c1csc(CC)c1	2730261	CMPBEEMDPFZNJF-VIFPVBQESA-N	225.357	3.229	0	50	BGAA	
Cc1ccc(C(C)C)c(OCCN(C)C)c1	4913256	MZPZTGNMUWMDBQ-UHFFFAOYSA-N	221.344	3.059	0	50	BGAA	
Cc1ccc(OCCN2CCCC2)c(Cl)c1	4989989	ANOOCTJKHQFBMI-UHFFFAOYSA-N	239.746	3.123	0	50	BGAA	
Cc1cccc([C@H](N)c2cccs2)c1	19093201	PKJLLSNXRMTERV-LBPRGKRZSA-N	203.310	3.105	0	50	BGAA	
Fc1cc(Cl)cc(Br)c1F	65356435	QTGHEPDHRHJOGR-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	
CC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1	71762424	WQWXCIXQVDUJJZ-CQSZACIVSA-N	249.329	3.017	0	50	BGAA	
Cc1nnc(-c2ccc([C@H](C)N(C)C)cc2)s1	426430566	ANNSXDKLFUPIQC-VIFPVBQESA-N	247.367	3.136	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2nccc(C)n2)cc1	426661906	BHSFOIRYBYROGC-NSHDSACASA-N	228.295	3.159	0	50	BGAA	
CCc1nc([C@H](C)NCC2(Cl)CC2)cs1	1875275632	KCHXZLSKNNKBBW-QMMMGPOBSA-N	244.791	3.128	0	50	BGAA	
CC1=[N+](C)c2c(ccc3cccnc23)C1(C)C	294915	NMJNTLKXCOMILO-UHFFFAOYSA-N	225.315	3.261	0	50	BGAA	biogenic
Cc1ccc(C(=O)c2ccco2)cc1C	314849	PMOTZZJPIQTQII-UHFFFAOYSA-N	200.237	3.127	0	50	BGAA	in-vitro
Cc1cc(C(=O)O)sc1-c1ccccc1	339052	HBQAYKRLPQFBBP-UHFFFAOYSA-N	218.277	3.422	0	50	BGAA	in-vitro
COc1cccc(NC(=O)NC2CCCCC2)c1	396463	FNOLBJYZYBAWCI-UHFFFAOYSA-N	248.326	3.149	0	50	BGAA	
Clc1ccc2c(N3CCCC3)ccnc2c1	572884	RKVBRQUSBUXPGZ-UHFFFAOYSA-N	232.714	3.488	0	50	BGAA	
O=Cc1ccc(COc2ccc3c(c2)CCC3)o1	2557864	OBNJXBUTZBQUOP-UHFFFAOYSA-N	242.274	3.160	0	50	BGAA	
Cc1scc(C(=O)O)c1-c1ccccc1	2559451	GIGSDQGBKJYLFV-UHFFFAOYSA-N	218.277	3.422	0	50	BGAA	in-vitro
Cc1ccccc1CNC(=O)c1ccccc1F	6703149	OONBWCJLEWGMLO-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
CCCCNC(=O)N1CCCc2cc(C)ccc21	6730747	HGJXQJBNVGCQMV-UHFFFAOYSA-N	246.354	3.257	0	50	BGAA	
CC(C)NC(=O)/C=C/c1ccc(C(C)C)cc1	12382915	DBVHGEFMGHZDQB-JXMROGBWSA-N	231.339	3.348	0	50	BGAA	
CCC(C)(C)NC(=S)Nc1ccccc1	13823507	OBDYTFGARJAFGH-UHFFFAOYSA-N	222.357	3.162	0	50	BGAA	
c1ccc2c(c1)CCC[C@@H]2NCc1ccncc1	16667368	GSPCKMUOZSNPJL-INIZCTEOSA-N	238.334	3.249	0	50	BGAA	
CCC(=O)c1cc([C@@H](C)CC)ccc1O	200421847	POCCFHQORQGCPD-VIFPVBQESA-N	206.285	3.498	0	50	BGAA	
CCC1CN(C(=O)c2csc3ccccc23)C1	335077065	SAGBHVNIDBWLIK-UHFFFAOYSA-N	245.347	3.383	0	50	BGAA	
Cc1n[nH]cc1-c1ccc(C(F)F)c(F)c1	725272615	RRCXHIFNABSVHH-UHFFFAOYSA-N	226.201	3.462	0	50	BGAA	
C[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	29709	FYEPSFHWPZWNKT-JTQLQIEISA-N	237.730	3.212	0	50	BGAA	
Cc1ccc(-c2nnc(-c3cccnc3)o2)cc1	390835	WYYYIYXYBQGPMC-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
COC(=O)c1ccccc1-c1cccc(C)c1	1257632	YMUQYFXJUZSCOQ-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
C[C@H](c1ccccc1)n1nc2ccccc2n1	5374719	DQDLKQAKDYKLTH-LLVKDONJSA-N	223.279	3.041	0	50	BGAA	
CCCCNC(=O)c1ccc(OC(C)C)cc1	8041700	OMTDEZKSEMZLHO-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
CC[C@H](N)c1ccccc1C(F)(F)F	8698407	GGMBEWCATHOITK-VIFPVBQESA-N	203.207	3.115	0	50	BGAA	in-vitro
O[C@@H]1c2ccccc2CSc2ccccc21	32221058	JLRRONOEUGUFFI-CQSZACIVSA-N	228.316	3.374	0	50	BGAA	
O=Cc1ccc(C(F)(F)F)cc1Cl	37594117	YMMPHWVSJASKAC-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
O=C(O)c1ccc2cc(Cl)ccc2c1	39474278	SRISHMVSUHENAI-UHFFFAOYSA-N	206.628	3.191	0	50	BGAA	
C=CC(=O)NCC1(c2cccc(Cl)c2)CCC1	1336681383	JKOOHNRXPXUUKG-UHFFFAOYSA-N	249.741	3.064	0	50	BGAA	
O=C(Nc1ccc(F)nc1)C12CCCC1CCC2	1857527074	VOEHGSRDUVKCAC-UHFFFAOYSA-N	248.301	3.130	0	50	BGAA	
Cc1ccc(CCC(=O)Nc2ccccc2)o1	297060	LNGLPAZSUPESJP-UHFFFAOYSA-N	229.279	3.159	0	50	BGAA	
Cc1ccc(OC(=O)c2ccccc2)cc1	389793	LLRZUDIHEZXFGV-UHFFFAOYSA-N	212.248	3.214	0	50	BGAA	biogenic
Cc1cccc(C)c1NC(=O)OC(C)C	397357	FYJODTHONVGERQ-UHFFFAOYSA-N	207.273	3.260	0	50	BGAA	
Cc1ccc(C(C)C)cc1NC(=O)C1CC1	401516	XVMVFEXIZICLQU-UHFFFAOYSA-N	217.312	3.467	0	50	BGAA	
CCC(CC)C(=O)Nc1ccc(C)cc1	453089	CIHJVHZDATWRHE-UHFFFAOYSA-N	205.301	3.370	0	50	BGAA	biogenic
CCc1ccc(C(=O)NC2CCCCC2)s1	1054302	UMLLTFSMKGDSCI-UHFFFAOYSA-N	237.368	3.373	0	50	BGAA	
O=C1CCCC[C@H]1c1nccc2ccccc12	4137071	KVPQKEWJYNTYKV-CYBMUJFWSA-N	225.291	3.462	0	50	BGAA	
CCCc1nnc(S)n1-c1ccccc1CC	6391584	GJVWRWPLKIVMDJ-UHFFFAOYSA-N	247.367	3.071	0	50	BGAA	
CC(C)(C)NC(=O)Nc1ccc(F)c(Cl)c1	6700411	CPGVKORPTIVFDD-UHFFFAOYSA-N	244.697	3.399	0	50	BGAA	
Nc1cccc(Cl)c1Oc1cccnc1	12428416	GVHXELSOINPUQV-UHFFFAOYSA-N	220.659	3.110	0	50	BGAA	in-vitro
O=C(O)c1ccc(-c2ccc(Cl)cc2)nc1	12955833	WAPOIXVQQDLMPP-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
Fc1ncc(C(F)(F)F)cc1Br	16159025	HKACHYLUXHBYMO-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	in-vitro
CCN(CCCCO)CC1CCCCCC1	20600143	RYGHXSFKNAFMEC-UHFFFAOYSA-N	227.392	3.051	0	50	BGAA	
O=C(O)c1ccc(-c2cc(F)ccc2F)cc1	33427481	ZMDNYBINYNDOMD-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
Clc1ncc(Br)c2occc12	44136828	XEKOTRYFIYDUEL-UHFFFAOYSA-N	232.464	3.244	0	50	BGAA	in-vitro
Clc1ccc2[nH]c(C3CCC3)nc2c1	70234080	PGIMZSZUIUHNJC-UHFFFAOYSA-N	206.676	3.484	0	50	BGAA	
O=C(C1CC=CC1)N1CCC[C@]2(CC=CCC2)C1	151983891	SMJJVFMHSPRIDL-MRXNPFEDSA-N	245.366	3.302	0	50	BGAA	
CC[C@H]1C[C@@H]1NC(=O)c1cc2cc(C)ccc2o1	170627019	MHSAXCJYAKYOCO-JQWIXIFHSA-N	243.306	3.270	0	50	BGAA	
COc1ccc(Cl)c(Br)c1F	217106049	KCFKCBAILKVXQZ-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
Cc1ccncc1NC(=O)Nc1ccccc1	1201945898	VTYBLISYIATCJK-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
CCC(=O)Nc1ncc(-c2ccccc2)s1	240858	FZVXVNXMSIFZDK-UHFFFAOYSA-N	232.308	3.159	0	50	BGAA	
O=C(/C=C/c1ccccc1)NCc1ccccc1	493129	MPWRITRYGLHZBT-VAWYXSNFSA-N	237.302	3.016	0	50	BGAA	
CC(=O)c1coc2c1cc(O)c1ccccc12	2472134	WYMLGCDOZHERKB-UHFFFAOYSA-N	226.231	3.494	0	50	BGAA	in-vitro
COc1ccc(-c2ccccc2)c(C=O)c1	2525649	KNXUAOMBQFMZKL-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
N=C(c1ccc(Cl)cc1)N1CCCCC1	4014390	PUGDMMRYGLZYBP-UHFFFAOYSA-N	222.719	3.151	0	50	BGAA	
CCOC(=O)/C=C/c1ccc2ccccc2c1	5592078	VARFCVWJZNTTAQ-CSKARUKUSA-N	226.275	3.416	0	50	BGAA	
Cc1ccc(NC(=O)NC(C)(C)C)cc1C	6742193	BGDMRWZMQODZJN-UHFFFAOYSA-N	220.316	3.223	0	50	BGAA	
CCCCN1CCCc2cc(C=O)ccc21	6868975	JRNBGKKADHPFQK-UHFFFAOYSA-N	217.312	3.052	0	50	BGAA	
O=C(CC1CCCC1)Nc1cccc(F)c1	8723318	HGSUKEVFBMNDET-UHFFFAOYSA-N	221.275	3.345	0	50	BGAA	
Cc1cc(N)c2ccc(C(F)(F)F)cc2n1	16159455	XOCNDKPCAIPSRG-UHFFFAOYSA-N	226.201	3.144	0	50	BGAA	in-vitro
Cc1ccc(CN)c(OC2CCCCC2)c1	51580313	QNIMHIQMTXEXRE-UHFFFAOYSA-N	219.328	3.165	0	50	BGAA	in-vitro
COc1cccc(N(C(C)C)C(C)C)c1	63363117	INFATYDKHXGDIB-UHFFFAOYSA-N	207.317	3.318	0	50	BGAA	in-vitro
CCCc1c(C)nc(Cl)nc1Cl	86005611	GUYDKPUQYLNGTM-UHFFFAOYSA-N	205.088	3.044	0	50	BGAA	
Cc1ccc2cc(O)n(C(=O)OC(C)(C)C)c2c1	261494282	UCRPMPKWQLUQTA-UHFFFAOYSA-N	247.294	3.439	0	50	BGAA	
Cc1nnc(N2CCC[C@@H]2c2ccccc2C)o1	275384495	PNFIDWKTTNJRBQ-CYBMUJFWSA-N	243.310	3.028	0	50	BGAA	
Cc1nn(-c2ccccn2)c2c1C=CC(C)(C)C2	2080385639	UJNOICOOEPLJQB-UHFFFAOYSA-N	239.322	3.171	0	50	BGAA	
Clc1ccc(NCc2cccnc2)cc1	139443	MLOJAKGCMJIRQY-UHFFFAOYSA-N	218.687	3.347	0	50	BGAA	in-vitro
CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1	318620	GGHKTOJMFXLEDN-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
CCC(CC)C(=O)N(CC)Cc1ccccc1	464636	KVXDBUHJZMJIBO-UHFFFAOYSA-N	233.355	3.471	0	50	BGAA	
CC(=O)[C@H](C)Oc1c(Cl)cccc1Cl	1401866	RXSHORGLJSZPAH-ZETCQYMHSA-N	233.094	3.350	0	50	BGAA	
OCc1ccccc1/C=C/c1ccccc1	2023280	ZOICUOZBBWAVBI-ZHACJKMWSA-N	210.276	3.349	0	50	BGAA	
COc1c(C)cc(-c2csc(N)n2)cc1C	3716813	QDJCHVWONSKLEG-UHFFFAOYSA-N	234.324	3.018	0	50	BGAA	
CCCN[C@@H]1CCc2c(OC)cccc2[C@@H]1C	3995669	YGHLYBIUVOLKCV-SMDDNHRTSA-N	233.355	3.113	0	50	BGAA	in-vitro
CCc1cnc(-c2cc3ccccc3o2)nc1	65393927	KBBGUHCJPITCBP-UHFFFAOYSA-N	224.263	3.452	0	50	BGAA	
COc1cc(-c2cccc(N)c2)ccc1F	95495641	CEUNKPIQBWPQEH-UHFFFAOYSA-N	217.243	3.084	0	50	BGAA	
CCC1CCC(C(=O)Nc2ccncc2)CC1	230511298	JUMXVFUSGGPVNG-UHFFFAOYSA-N	232.327	3.237	0	50	BGAA	
Cc1cc(NC(N)=O)ccc1-c1ccccc1	408514072	JUIPQQSOTWPGLG-UHFFFAOYSA-N	226.279	3.153	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)c1cccs1	271466	KARCUESJCUWGPP-SNVBAGLBSA-N	223.341	3.153	0	50	BGAA	
Cc1ccc(NC(=S)NCc2ccco2)cc1	372333	ISZBNAQAPHLZDV-UHFFFAOYSA-N	246.335	3.075	0	50	BGAA	
Cc1ccc(Cl)c(Br)c1	1724748	UWXPTVKKHVOZLJ-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	
CCCCOc1ccc(CSCCN)cc1	2493807	PCAKBDKRPGYNHG-UHFFFAOYSA-N	239.384	3.057	0	50	BGAA	
CC(C)(C)c1ccc(C2(C(=O)O)CC2)cc1	12879827	AYUZKGVLRKUOAP-UHFFFAOYSA-N	218.296	3.100	0	50	BGAA	in-vitro
CCOC(=O)c1cc2ccc(C)cc2nc1C	16123639	XECUIRQNZBISJF-UHFFFAOYSA-N	229.279	3.028	0	50	BGAA	in-vitro
CCOC(=O)[C@@H](C)Sc1ccccc1Cl	42287982	IJBCCBCQHSHFST-MRVPVSSYSA-N	244.743	3.384	0	50	BGAA	
CC1(C)CC23CC=CCC2(CC=CC3)C(=O)O1	45071595	UPINMBXVBFKPDS-UHFFFAOYSA-N	232.323	3.385	0	50	BGAA	
CC[C@H](NC(=O)C(C)C)c1ccc(C)cc1	70236934	CNTHUDARVVKTLE-ZDUSSCGKSA-N	219.328	3.218	0	50	BGAA	
COC(=O)c1cccc(-c2ccc(F)c(F)c2)c1	97757009	HYORIKNTOXCMLR-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@H]1C	248343016	ZBJPVPFEDGYYBD-XGUBFFRZSA-N	240.387	3.281	0	50	BGAA	
CN(C(=O)C1CC2(CCC2)C1)C1CC(C)(C)C1	335347491	YEYMLYOQHVOMMN-UHFFFAOYSA-N	235.371	3.214	0	50	BGAA	
CC(C)c1ccc(-c2ccnc3[nH]ccc23)nn1	426477902	ABSDUDGHCULLPA-UHFFFAOYSA-N	238.294	3.143	0	50	BGAA	
Cc1cccc([C@@H](C)N[C@H](C)c2cc[nH]n2)c1C	2325742646	JDGHCEZUWLMATD-CHWSQXEVSA-N	243.354	3.438	0	50	BGAA	
CC(C)CN(CC(C)C)C(=O)c1ccccc1	400054	JYTNUJXHOWUHHN-UHFFFAOYSA-N	233.355	3.441	0	50	BGAA	
Clc1ccc(Cn2nnc3ccccc32)cc1	471719	UKMWDMQSMWAGTB-UHFFFAOYSA-N	243.697	3.133	0	50	BGAA	
C[C@H](CC(=O)Nc1cccnc1)c1ccccc1	859983	KRFFEXOORXKQEH-GFCCVEGCSA-N	240.306	3.214	0	50	BGAA	
CCNC(=S)Nc1ccc2ccccc2c1	1059374	WWFJDTVMEUADOF-UHFFFAOYSA-N	230.336	3.146	0	50	BGAA	
Cc1ccc(C(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1	1081366	JHAROMYZTGWTSG-CHWSQXEVSA-N	246.306	3.069	0	50	BGAA	
Cc1ccc2c(c1)N[C@H](C(C)(C)C)CO2	1392412	KACIGXXYHOZGNQ-LBPRGKRZSA-N	205.301	3.214	0	50	BGAA	
CCCN1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C	2472399	NZBMCFAPUPWLPQ-OFQRWUPVSA-N	247.382	3.015	0	50	BGAA	
C[C@@H](O)C(C)(c1ccccc1)c1ccccc1	3131470	JKXJSADSNRAWSZ-CYBMUJFWSA-N	226.319	3.373	0	50	BGAA	
CC(C)c1cc(C(=O)O)c2ccccc2n1	3757837	ZHQZYLFXDJYBGO-UHFFFAOYSA-N	215.252	3.056	0	50	BGAA	in-vitro
CC1(C)[C@@H](C(=O)O)[C@@H]1/C=C(\Cl)C(F)(F)F	5765578	SPVZAYWHHVLPBN-MDMYCTLOSA-N	242.624	3.028	0	50	BGAA	in-vitro
Cc1ccc([C@@H](C)NC(=O)c2ccco2)c(C)c1	6741682	FSIFADGKTUMNOO-GFCCVEGCSA-N	243.306	3.387	0	50	BGAA	
CC(C)=CC[C@@](C)(C(=O)O)c1ccccc1	45074571	YIFORZCYSLIOCC-CQSZACIVSA-N	218.296	3.385	0	50	BGAA	
Cc1cc(F)cc(C)c1Br	67794668	SIZYXYRNXJSAON-UHFFFAOYSA-N	203.054	3.205	0	50	BGAA	in-vitro
CC1(C)CCCN(C(=O)Nc2ccccc2)C1	72119370	QZGGFCLJAPUBAV-UHFFFAOYSA-N	232.327	3.341	0	50	BGAA	
Brc1ccc2c(c1)SCCCN2	162416682	VXEQECFYQPEZIN-UHFFFAOYSA-N	244.157	3.357	0	50	BGAA	
COC(=O)[C@@H]1CC[C@H](C(C)(C)C)C[C@H]1C	248112274	NYEXNQKLWCUFKZ-OUAUKWLOSA-N	212.333	3.258	0	50	BGAA	
OC[C@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13	257358599	VGFGSYOSQGRUNO-DSPLQEQRSA-N	234.298	3.005	0	50	BGAA	
CC(=O)c1cc(C(F)(F)F)ccc1F	157373	PYEGOARCMCIYCW-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	in-vitro
CCC[C@H](C)C(=O)N1CCCc2ccccc21	457118	XCSNHDQPYFGISL-LBPRGKRZSA-N	231.339	3.402	0	50	BGAA	
CCC(=O)Nc1ccc(N2CCC(C)CC2)cc1	559767	NEGGFIVADCVCCU-UHFFFAOYSA-N	246.354	3.271	0	50	BGAA	
Clc1ccc(OC2CCNCC2)cc1Cl	2513138	DQNSSLUVUXZLEO-UHFFFAOYSA-N	246.137	3.124	0	50	BGAA	in-vitro
Cc1cc(C)c2cc(C(=O)O)c(Cl)nc2c1	4130150	ZGESZWCCEPKFLN-UHFFFAOYSA-N	235.670	3.203	0	50	BGAA	
c1ccc(C(c2ccccc2)N2CCC2)cc1	4321895	AZHWVHNIAGJINK-UHFFFAOYSA-N	223.319	3.482	0	50	BGAA	in-vitro
CCN(CC)CCN(CC)[C@H]1CCC[C@@H](C)C1	23282284	LVJUHNAOMWUPSU-CABCVRRESA-N	240.435	3.229	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1F	51203655	OPCCADVZKZDHAI-MRVPVSSYSA-N	243.709	3.398	0	50	BGAA	
CCCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2	55393716	RMRMJAGLBJFJPV-UHFFFAOYSA-N	249.398	3.461	0	50	BGAA	
Cc1ccc2c(C(=O)O)c(C)ccc2c1	114866964	IWEATXLWFWACOA-UHFFFAOYSA-N	200.237	3.155	0	50	BGAA	
c1ccc(-c2cnn(CC[C@H]3CCCO3)c2)cc1	189031103	SAGNCISTSURZSH-OAHLLOKOSA-N	242.322	3.119	0	50	BGAA	
CC[C@@H]1CCC(=O)C[C@H]1OC1CCCC1	725363050	WXVRYPLBMZIGGA-ZWNOBZJWSA-N	210.317	3.093	0	50	BGAA	
CCCc1nc(N2CCC[C@@](C)(CC)C2)no1	823023318	HAWQXPAMUGMDHO-CYBMUJFWSA-N	237.347	3.039	0	50	BGAA	
C[C@@H]1N=C(C2CCCC2)c2ccccc2NC1=O	1615058616	RNVSKDBQKBGUNM-JTQLQIEISA-N	242.322	3.007	0	50	BGAA	
COc1ccc(-c2nc3cc(N)ccc3o2)cc1	154944	CZSVPGARXVXXOX-UHFFFAOYSA-N	240.262	3.086	0	50	BGAA	
S=c1cc(-c2ccccc2)nc(S)[nH]1	451473	VBZZPISRUWBGKZ-UHFFFAOYSA-N	220.322	3.095	0	50	BGAA	
COc1ccc(Oc2ccc(C(=O)O)cc2)cc1	11802360	COMKNVCMWUGEPO-UHFFFAOYSA-N	244.246	3.186	0	50	BGAA	in-vitro
Sc1nnc(C2(c3ccccc3)CCCC2)o1	13114989	XUURERUVIZSRTI-UHFFFAOYSA-N	246.335	3.218	0	50	BGAA	
FC(F)(F)c1ccc2c(c1)CCCN2	20281950	SQJQPDGTZCRFBC-UHFFFAOYSA-N	201.191	3.064	0	50	BGAA	in-vitro
O=C(c1ccc(Cl)cc1)[C@@H](O)c1ccccc1	25757478	XYUKKJIDPMMCMJ-ZDUSSCGKSA-N	246.693	3.256	0	50	BGAA	
Cc1cccc(S(=O)c2cccc(C)c2)c1	44559940	CGNXXVJGAZGMMG-UHFFFAOYSA-N	230.332	3.470	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2)c(C)c1	74934354	AZRDKIMMTUWBOS-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
Fc1c(Cl)cccc1OC(F)(F)F	95215566	BNWOISYKRGAWFO-UHFFFAOYSA-N	214.545	3.378	0	50	BGAA	in-vitro
C/C=C(\C)c1ccc(OCCN(C)C)cc1	96027959	SBDKQBKTLHQECI-LFYBBSHMSA-N	219.328	3.050	0	50	BGAA	
COc1ccc2c(c1)[C@H]1C=C[C@H]2[C@@H]2C=C[C@@H]12	230110997	OBFXLUZQOMFZHE-FMSGJZPZSA-N	210.276	3.248	0	50	BGAA	
Cc1nnc(-c2ccc([C@@H](C)N(C)C)cc2)s1	426430563	ANNSXDKLFUPIQC-SECBINFHSA-N	247.367	3.136	0	50	BGAA	
C[C@H]1Cc2ccc(F)c(C=C3CCC3)c2CN1	1875359768	PJRJWBXCZVGQPX-JTQLQIEISA-N	231.314	3.427	0	50	BGAA	
C=CC(=O)N(C1CC1)[C@H](C)c1ccccc1F	1875365987	IUFMQZYAXGWQEF-SNVBAGLBSA-N	233.286	3.064	0	50	BGAA	
CCOc1ccc(C(C)=O)cc1CN(CC)CC	174301	OKDUCJHXOFSNED-UHFFFAOYSA-N	249.354	3.130	0	50	BGAA	
CC(C)C(NC(=O)CCc1ccccc1)C(C)C	382645	SDKAJOCXXJWLEA-UHFFFAOYSA-N	247.382	3.416	0	50	BGAA	
CC1CCN(C(=O)Nc2ccc(F)cc2)CC1	455382	LCKAITFZTMQXEX-UHFFFAOYSA-N	236.290	3.090	0	50	BGAA	
Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1	860484	GTPYQFHGQXCNNG-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
CCc1c(C(=O)NC2CCCC2)csc1C	1054744	UKZXJSWRTLJHOC-UHFFFAOYSA-N	237.368	3.291	0	50	BGAA	
CCCCOc1ccccc1NC(=O)C(C)C	1777621	QZFNDZQHLAIVBK-UHFFFAOYSA-N	235.327	3.460	0	50	BGAA	
CCOC(=O)c1cc2ccc(Cl)cc2nc1C	2555425	IQMPORCGKAHSDX-UHFFFAOYSA-N	249.697	3.373	0	50	BGAA	
COc1cccc([C@@H](O)c2cccc(C)c2)c1	4267959	GZERNPXBXFCTLY-HNNXBMFYSA-N	228.291	3.085	0	50	BGAA	
c1ccc(CNC2CCCCCCC2)nc1	4981410	NWYCYCPEAUBOIC-UHFFFAOYSA-N	218.344	3.284	0	50	BGAA	
CC[C@H](N)c1ccc(C(F)(F)F)cc1	8698405	YOETTZCHIABKPH-VIFPVBQESA-N	203.207	3.115	0	50	BGAA	in-vitro
Fc1ccc(OCc2nc3ccccc3[nH]2)cc1	15669933	XITKULNLZHNUBG-UHFFFAOYSA-N	242.253	3.281	0	50	BGAA	
FC(F)(F)c1ccc(N2CCCCCC2)nc1	19771183	UBXYSXJRRVJWBJ-UHFFFAOYSA-N	244.260	3.481	0	50	BGAA	
O=Cc1c(Br)sc2ccccc12	39206196	VGDOLCVWJLNMHX-UHFFFAOYSA-N	241.109	3.476	0	50	BGAA	
S=C(S)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	100015981	PWLXJBSAUKKGCM-SQQIUAQRSA-N	228.382	3.042	0	50	BGAA	in-vitro
CO[C@@H]1CCCN(CCCCc2ccccc2)C1	186940653	NDPRRDSCHXCLPR-MRXNPFEDSA-N	247.382	3.120	0	50	BGAA	
CC(C)COc1cc(Br)ccc1O	601014375	XRPQGLRROSVCFY-UHFFFAOYSA-N	245.116	3.190	0	50	BGAA	
O=C(O)[C@@H](c1ccccc1)C1CCCC1	68019	BCJIDGDYYYBNNB-LBPRGKRZSA-N	204.269	3.045	0	50	BGAA	in-vitro
COc1cccc(NC(=O)c2cccc(F)c2)c1	235884	JVRLXRSVFNWGJR-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
Cc1cc2cc(C=O)c(Cl)nc2cc1C	287816	MRKMNOLGKUJUSJ-UHFFFAOYSA-N	219.671	3.318	0	50	BGAA	in-vitro
Cc1ccc(C)c([C@@H](C)CCC(=O)O)c1	401298	KCAYTEGULDUFEJ-NSHDSACASA-N	206.285	3.272	0	50	BGAA	biogenic
Cc1nc2ccc3c(c2s1)CCCC3	2831194	YLCVONWOFJHKDN-UHFFFAOYSA-N	203.310	3.484	0	50	BGAA	
COc1cc(C)c(CN2CCCCC2)cc1C	4988898	NCPCIBOXVIVYKW-UHFFFAOYSA-N	233.355	3.298	0	50	BGAA	
Nc1[nH]nc(Cc2ccccc2)c1-c1ccccc1	5092492	MLLLVRBYNSVZFT-UHFFFAOYSA-N	249.317	3.250	0	50	BGAA	
CSc1ccccc1C(=O)Nc1ccncc1	6701462	KMVUKSZCQFQJCK-UHFFFAOYSA-N	244.319	3.056	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)C2CCC2)c(C)c1	6726556	WTXZRGGEVGBTJR-GFCCVEGCSA-N	231.339	3.281	0	50	BGAA	
COc1ccc(F)cc1-c1csc(C)n1	12984652	ZINAXCHUSIXYND-UHFFFAOYSA-N	223.272	3.266	0	50	BGAA	
Cc1cccc(OC/C=C/Cn2ccnc2)c1C	16624155	WTVQNFHWDFENGO-ONEGZZNKSA-N	242.322	3.135	0	50	BGAA	
CCOc1cc(C=O)ccc1OCC=C(C)C	19094392	XRMYEOWPLMERRA-UHFFFAOYSA-N	234.295	3.243	0	50	BGAA	
CC(C)NC(=O)CCc1cccc2ccccc12	67338856	ACWFKGSAJSHCCA-UHFFFAOYSA-N	241.334	3.297	0	50	BGAA	
COc1ccc2c(c1)[C@@H]1CCCC[C@H]1C2=O	71774129	CAENESYYSOQKPN-GHMZBOCLSA-N	216.280	3.165	0	50	BGAA	
Cc1cccc(OCc2ccccc2)c1C=O	168039158	MSZCYCMKKZUHRB-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	
C[C@H]1CC[C@@](C)(C(=O)N2CC3(CC3)C2)C1(C)C	334498770	OLBLYEFGKROLHD-FZMZJTMJSA-N	235.371	3.071	0	50	BGAA	
Cc1ncsc1CN[C@@H](C)C1=CCCCC1	888099306	ZAHSUOOKLOQWER-JTQLQIEISA-N	236.384	3.430	0	50	BGAA	
CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1	56648	KNHUKKLJHYUCFP-UHFFFAOYSA-N	242.702	3.061	0	50	BGAA	biogenic,world
Nc1c(Cl)cc(OC(F)(F)F)cc1Cl	56967	FKISQWQHZULEEG-UHFFFAOYSA-N	246.015	3.474	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)c2ccco2)c(C)c1	80481	YSEHJTQSRSPZPC-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
Cc1ccc(C)c(-c2csc(C=O)n2)c1	3676332	USGRGBHDBFTSGP-UHFFFAOYSA-N	217.293	3.239	0	50	BGAA	in-vitro
Cc1nc(C23CC4CC(CC(C4)C2)C3)co1	3900101	FTTNFYSXKRFCCW-UHFFFAOYSA-N	217.312	3.451	0	50	BGAA	
Cc1ccc2[nH]c3c(Cl)ncnc3c2c1	5730664	LNQODADCKCYIRF-UHFFFAOYSA-N	217.659	3.073	0	50	BGAA	in-vitro
C[C@H]1CCCN(c2ccc(N)cc2Cl)C1	8701180	GVZXCXVRHHROFD-VIFPVBQESA-N	224.735	3.159	0	50	BGAA	in-vitro
Cc1ccnc(NC(=O)/C=C/c2cccs2)c1	12341522	YVGHONIDDFLTOD-SNAWJCMRSA-N	244.319	3.103	0	50	BGAA	
N=C(N)SCc1ccc(Cl)cc1Cl	12428494	KTXXYZBSQYXMPO-UHFFFAOYSA-N	235.139	3.120	0	50	BGAA	in-vivo
Cc1cccnc1NC(=O)/C=C/c1cccs1	13208420	YDHWRJFVPRDESY-VOTSOKGWSA-N	244.319	3.103	0	50	BGAA	
CN1CCc2oc3ccc(Cl)cc3c2C1	22016382	KJROXNWKTYFXPU-UHFFFAOYSA-N	221.687	3.074	0	50	BGAA	
CC1=CC(C)=N/C1=C\c1[nH]c(C)cc1C	25724240	VEDYKOPETFAIJI-QPEQYQDCSA-N	200.285	3.393	0	50	BGAA	
Clc1cccc(OCc2ccccc2)n1	71257074	OSKQRHCKRSMITJ-UHFFFAOYSA-N	219.671	3.314	0	50	BGAA	
Nc1ccc(-c2cc(F)cc(Cl)c2)cn1	85476799	XNVOYEYFTUNFRM-UHFFFAOYSA-N	222.650	3.123	0	50	BGAA	in-vitro
O=C(O)[C@H](F)c1cccc(Cl)c1Cl	86242837	LXBJBHGMSWEPGQ-SSDOTTSWSA-N	223.030	3.089	0	50	BGAA	
CC[C@]12C[C@@H]3C[C@H](C1)C[C@@](CC(=O)O)(C3)C2	232320527	MRQRQHRHPXENRD-WVKUQDAKSA-N	222.328	3.458	0	50	BGAA	
Oc1cc(Cl)c(Cl)cc1OC(F)F	263623165	FHNKEYDXJHBPDT-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
Cc1nn(C(C)C)cc1-c1cccc2ccnn12	426395457	XGURWQNYYLWVFA-UHFFFAOYSA-N	240.310	3.087	0	50	BGAA	
O=C(O)c1c(Cl)ccc2cc(Cl)cnc12	336447	FFSSWMQPCJRCRV-UHFFFAOYSA-N	242.061	3.240	0	50	BGAA	biogenic,in-vitro
COc1cccc(CCc2cccc(OC)c2)c1	399599	BTARCYDJTMRPBY-UHFFFAOYSA-N	242.318	3.489	0	50	BGAA	
Fc1ccc(NC(=S)N2CCCCC2)cc1	455156	ZJPPQKWWTJDFPX-UHFFFAOYSA-N	238.331	3.008	0	50	BGAA	
CC(C)NC(=O)Nc1ccccc1C(F)(F)F	2167796	IIXANECALPODFI-UHFFFAOYSA-N	246.232	3.235	0	50	BGAA	
c1ccc(-c2ccc(CC3OCCO3)cc2)cc1	2529082	XTVJQZPIQGYSLQ-UHFFFAOYSA-N	240.302	3.269	0	50	BGAA	
Cc1cccc(/C=C2/SC(=S)N=C2O)c1	2536876	NTFGFSORFHWWPQ-RMKNXTFCSA-N	235.333	3.324	0	50	BGAA	
O=Cc1cc2ccc1CCc1cccc(c1)CC2	3136897	AGJUUIFZIAHFIO-UHFFFAOYSA-N	236.314	3.383	0	50	BGAA	
CC(C)C[C@H]1Nc2ccccc2C(=O)N1C1CC1	49538544	SOILUABJWFRAHL-AWEZNQCLSA-N	244.338	3.089	0	50	BGAA	
CCOC(=O)c1cc2c(F)cccc2s1	66331987	USSMJZAKIJQMRE-UHFFFAOYSA-N	224.256	3.217	0	50	BGAA	
C[C@]12C(=O)CC[C@H]1C[C@@]13C=CC[C@@H]1CC[C@H]32	71786391	PUVKQQDLPWERLC-SQLGEJSKSA-N	216.324	3.348	0	50	BGAA	
CCOC(=O)c1ccc2c(c1)nc(C)n2C(C)C	95496131	MXLXVIIHLRGLPH-UHFFFAOYSA-N	246.310	3.102	0	50	BGAA	
Cc1ccc(OC(=O)Nc2cc(C)ccn2)cc1	242805368	FGHWFFLTZMGSBR-UHFFFAOYSA-N	242.278	3.309	0	50	BGAA	
O=Cc1ccc(-c2cccc(O)c2F)cc1	725272044	YIBMZMRQAQCQBZ-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
O=C(c1ccc(F)cc1)c1cccs1	162002	NLTRJPXIYKYMKT-UHFFFAOYSA-N	206.241	3.118	0	50	BGAA	in-vitro
CC1CCC(N(C)C[C@@H](O)c2ccccc2)CC1	212155	ZVAPKSFVEDIDAU-AVVWSFFYSA-N	247.382	3.231	0	50	BGAA	
Cc1ccc(OCc2ccc(C(=O)O)cc2)cc1	466828	YYFXDSVQJCNVML-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
Cc1cccc(CNC(=O)c2ccc(F)cc2)c1	6207087	NUNOWUOHNVYGDV-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
CCCC(=O)N[C@@H](C)c1cc(C)ccc1C	6725733	MBAYRLRCILELKH-LBPRGKRZSA-N	219.328	3.281	0	50	BGAA	
CCCCCCOc1cccc(C=O)c1	11884345	DUKQOJQWLCELHT-UHFFFAOYSA-N	206.285	3.458	0	50	BGAA	in-vitro
Cc1onc(-c2ccccc2)c1-c1ccn[nH]1	13656734	SLEUFOXJFRMHSK-UHFFFAOYSA-N	225.251	3.040	0	50	BGAA	
Clc1cc(Cl)c(Br)cn1	21990780	SGCSNJNPPSSPKZ-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
CCCCCCC(F)(F)C(=O)OCC	38435284	WHNDVBKXJCHZAY-UHFFFAOYSA-N	208.248	3.155	0	50	BGAA	
Fc1cc(Cl)c(F)c(Br)c1	65356431	ZXJZOLQKJFVXSE-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
Oc1c(Cl)cc(Cl)cc1OC(F)F	263623444	HNFFUUUEXOHLQR-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
NCc1c(OC(F)F)ccc(Cl)c1Cl	263623705	JXFFLJCIKZAZMX-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
CCCc1cnc(-c2ccc(C(C)=O)s2)nc1	426490691	XAXGTXVKJDEEHT-UHFFFAOYSA-N	246.335	3.360	0	50	BGAA	
COc1ccc(O)c(-c2c[nH]nc2C(C)(C)C)c1	426509558	USFOKJFHAGJUJZ-UHFFFAOYSA-N	246.310	3.088	0	50	BGAA	
C=CC(=O)N(C1CC1)[C@@H](C)c1ccccc1F	1875365986	IUFMQZYAXGWQEF-JTQLQIEISA-N	233.286	3.064	0	50	BGAA	
C[C@H]1CC(C)(C)O[C@@H](c2ccccc2)O1	281233	OHAGICGDFQGNHT-JQWIXIFHSA-N	206.285	3.289	0	50	BGAA	
O=C(CCCc1ccccc1)NC1CCCC1	339813	IFIGDSWTAZOWNV-UHFFFAOYSA-N	231.339	3.068	0	50	BGAA	
c1ccc2c(c1)CCc1ccccc1NC2	1036883	WMFXVTTVODXHLE-UHFFFAOYSA-N	209.292	3.397	0	50	BGAA	
Cc1ccc(Cc2ccccc2C(=O)O)cc1F	1510889	NONIPMXEAJZBOX-UHFFFAOYSA-N	244.265	3.423	0	50	BGAA	in-vitro
COC(=O)n1c2ccccc2c2ccccc21	1634052	CPZQGQQWSYKLMQ-UHFFFAOYSA-N	225.247	3.409	0	50	BGAA	
CCCC[C@H]1OC[C@@H](c2ccccc2)O1	3075530	VCHONKRHHVVDLP-STQMWFEESA-N	206.285	3.291	0	50	BGAA	
CNCc1ccccc1-c1ccccc1OC	12359700	OIHJWTIPKKLRDQ-UHFFFAOYSA-N	227.307	3.082	0	50	BGAA	in-vitro
Oc1ccc(-c2cccc(F)c2)cc1F	47204487	JWEBZMMQFAMHHU-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
O=C(c1ccco1)N1CC[C@@H]1c1ccc(F)cc1	67771865	FPEKGMZQIBYNRM-GFCCVEGCSA-N	245.253	3.006	0	50	BGAA	
C/C=C1\C(=C(C)C)C(=O)N[C@H]1c1ccccc1	101921048	UCCKXRMLADKZOL-RUJPKEBESA-N	227.307	3.140	0	50	BGAA	
O=C1CC[C@@H](c2c[nH]c3ccc(F)cc23)C1	142550882	DINNCXVUOXLHSH-MRVPVSSYSA-N	217.243	3.144	0	50	BGAA	
c1ncc(CNc2ccc3scnc3c2)s1	192256915	MXPWIRRMSIWDOU-UHFFFAOYSA-N	247.348	3.365	0	50	BGAA	
CS[C@@H]1CC(=O)CC[C@H]1C(C)(C)C	725359643	DVPYHKAOXUSYQU-NXEZZACHSA-N	200.347	3.133	0	50	BGAA	
CC(C)S[C@H]1CC(=O)CCC1(C)C	725361912	OSTURBUSNBEBSI-JTQLQIEISA-N	200.347	3.276	0	50	BGAA	
CC[C@H]1CCC(=O)C[C@H]1SC(C)C	725362437	SCWZVVMBZKRWOE-GXSJLCMTSA-N	200.347	3.276	0	50	BGAA	
Cc1cccc(C(=O)NC2CCCCC2)c1	73772	FNTGEXAHADFYNU-UHFFFAOYSA-N	217.312	3.058	0	50	BGAA	
Nc1ccc(C(F)(F)F)cc1C(F)(F)F	157223	UIWVOUBVGBJRNP-UHFFFAOYSA-N	229.123	3.306	0	50	BGAA	in-vitro
O=C(NCCc1ccc(F)cc1)C1CCCCC1	303945	OLTHBOOVDZVJNN-UHFFFAOYSA-N	249.329	3.065	0	50	BGAA	
CCC(=O)Nc1cccc(NC(=O)CC(C)C)c1	569585	JHQZPXFQBCYHHT-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
CC(C)CNc1cc(-c2ccccc2)ncn1	1286854	MPYHAQNJCFPTGX-UHFFFAOYSA-N	227.311	3.212	0	50	BGAA	
CCCCOC(=O)N(O)c1ccc(Cl)cc1	2141232	RIWCGQWZRDQZRQ-UHFFFAOYSA-N	243.690	3.472	0	50	BGAA	
CCCCOc1ccc(C(=O)CC)cc1	2759513	DGRPJRSRLYATME-UHFFFAOYSA-N	206.285	3.458	0	50	BGAA	in-vitro
CCN(CC)CCOc1ccc(C)cc1Cl	4990007	IVQDYYUKFIKGPE-UHFFFAOYSA-N	241.762	3.369	0	50	BGAA	
COc1ccc2sc(-c3ccccn3)nc2c1	6018909	UFPJZRHJGSFLKA-UHFFFAOYSA-N	242.303	3.367	0	50	BGAA	
COc1ccc(C(=O)Oc2ccc(C)cc2)cc1	12137936	KVQXEDZGNQGJBS-UHFFFAOYSA-N	242.274	3.223	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1ccc(C)c(F)c1	13320211	BBTPDAWBLAFDRA-VIFPVBQESA-N	224.279	3.054	0	50	BGAA	
CCCOc1cccc(Br)c1	19504232	NJOUUFXWXTUITI-UHFFFAOYSA-N	215.090	3.238	0	50	BGAA	in-vitro
c1cc2c(cc1[C@H]1CCCCN1)CCCC2	19673261	LRKAZMRIWDLEOH-OAHLLOKOSA-N	215.340	3.380	0	50	BGAA	
O=Cc1ccc(Cl)cc1OC(F)(F)F	91251994	SONFEJGLHKNKEF-UHFFFAOYSA-N	224.565	3.051	0	50	BGAA	in-vitro
C[Si](C)(C)CSC[Si](C)(C)C	170158774	GISUCMFTNKRCPF-UHFFFAOYSA-N	206.503	3.474	0	50	BGAA	in-vitro
CC[C@@H](O)c1cc(Br)ccc1C	229244148	XINLRUOEJAZHNG-SNVBAGLBSA-N	229.117	3.201	0	50	BGAA	
C[N+]1=C2CCCC[C@@]2(C)c2ccccc21	1044421	YQCJUQRBCGCFDH-AWEZNQCLSA-N	200.305	3.247	0	50	BGAA	biogenic
Cc1[nH]c2c(C)ccc(Cl)c2c1CC(=O)O	3748634	DPRNFHNVLFJYDF-UHFFFAOYSA-N	237.686	3.065	0	50	BGAA	
Cc1ccc(C[C@H]2C(=O)Nc3ccccc32)s1	15017256	FACVYCPOIZZUSS-GFCCVEGCSA-N	243.331	3.335	0	50	BGAA	
CC1=CC[C@H]2C(=O)[C@H]3CC=C(C)C[C@H]3C(=O)[C@H]2C1	34522461	FKWPSQNJQRPFBK-LVEBTZEWSA-N	244.334	3.083	0	50	BGAA	
CC[C@@H]1Oc2cc(Cl)cc(Cl)c2C1=O	113208636	FDHDQOBRLSZHEU-ZETCQYMHSA-N	231.078	3.347	0	50	BGAA	
FCc1cc(F)c(F)c(Br)c1	216129934	JNTSIDBZCDPRFF-UHFFFAOYSA-N	225.007	3.197	0	50	BGAA	
Fc1nc(OC2CCCC2)ccc1Cl	261493591	FJBPRMQSRHDVAT-UHFFFAOYSA-N	215.655	3.196	0	50	BGAA	
O=C1OC[C@H](SCc2ccc(Cl)cc2)O1	408516312	BCSKUPNVKGVIQK-VIFPVBQESA-N	244.699	3.066	0	50	BGAA	
O=C(NC1CCCCC1)c1ccc(Cl)cc1	38798	KSXFAESIEUQWLY-UHFFFAOYSA-N	237.730	3.403	0	50	BGAA	in-vitro
O=C(/C=C/c1ccccc1)Nc1ccc(F)cc1	136010	FSGUMUYMSDYGOB-IZZDOVSWSA-N	241.265	3.478	0	50	BGAA	
COc1cc(C2CCCCC2)ccc1O	155466	SFKOSFQNRNFREE-UHFFFAOYSA-N	206.285	3.449	0	50	BGAA	
CCC(=O)OC(C(C)(C)C)C(C)(C)C	393148	LQAPKVCNYIQTER-UHFFFAOYSA-N	200.322	3.400	0	50	BGAA	
CC(C)(C)c1cc(Br)ccc1O	1638504	IKMJSWBFODAWTC-UHFFFAOYSA-N	229.117	3.452	0	50	BGAA	in-vitro
Fc1ccccc1OCCCCN1CCCC1	2497156	AWXQKFVBRBRYLZ-UHFFFAOYSA-N	237.318	3.081	0	50	BGAA	
CCCN1CCC(Nc2ccc(F)cc2)CC1	4989680	KWRXMYLSVLALCP-UHFFFAOYSA-N	236.334	3.112	0	50	BGAA	
Cc1cc(O)ccc1OCc1ccccc1	36193809	YXSKADRGXCHMAX-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	in-vitro
Oc1cc(Br)c2ccccc2c1	38860882	PQNQMYMGUXGWTG-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
Cc1cc(Br)c(C)cc1F	63363106	OJWDSJPXBFLCFO-UHFFFAOYSA-N	203.054	3.205	0	50	BGAA	in-vitro
CCOc1c(C)cc(-c2ncccc2O)cc1C	96282142	FFBYRGHYIUWOEL-UHFFFAOYSA-N	243.306	3.470	0	50	BGAA	
Cc1cc(Oc2ccn3ccnc3c2)ccc1N	498050565	NRWQFAZZGWFFIT-UHFFFAOYSA-N	239.278	3.017	0	50	BGAA	
CC[C@@H](C)C(=O)Nc1cc(C)cc(C)c1	30442	SDCDTOKOVMORKJ-LLVKDONJSA-N	205.301	3.288	0	50	BGAA	
CC1CCN(Cc2c[nH]c3ccccc23)CC1	142608	DGCGMYNLCDVYMB-UHFFFAOYSA-N	228.339	3.400	0	50	BGAA	in-vivo
C[C@H](Cc1ccccc1)NC(=O)c1ccccc1	271923	JHFZSLHBOLBFEV-CYBMUJFWSA-N	239.318	3.048	0	50	BGAA	biogenic
O=CNc1cc(Cl)c(Cl)cc1Cl	410115	ZABZWLVBLUDZDR-UHFFFAOYSA-N	224.474	3.215	0	50	BGAA	
CC(C)(C)c1onc2c1C(=O)c1ccccc1-2	1588194	OUEKKOGWBXIRDO-UHFFFAOYSA-N	227.263	3.184	0	50	BGAA	
C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O	4336097	FXZXGJIGRSODSM-YFKPBYRVSA-N	247.241	3.138	0	50	BGAA	
CCC1CCC(NCC(C)(C)CN(C)C)CC1	4986635	KDHUWOJOZNWUJE-UHFFFAOYSA-N	240.435	3.133	0	50	BGAA	
O=c1cc(-c2ccccc2)nc(-c2ccccc2)[nH]1	16124821	XRSLJJMPKREAES-UHFFFAOYSA-N	248.285	3.104	0	50	BGAA	
NCCCc1ccccc1OCc1ccccc1	26895087	LPMQBTRNWFFFAZ-UHFFFAOYSA-N	241.334	3.157	0	50	BGAA	
Cc1ccc(C(=O)NCC2CCCCC2)cc1	72115526	RDEBWMXZTHBWDN-UHFFFAOYSA-N	231.339	3.305	0	50	BGAA	
CCCCCc1cccc(CC(=O)O)c1	113492390	PEGQOIGYZLJMIB-UHFFFAOYSA-N	206.285	3.046	0	50	BGAA	
CSc1ccc(Br)cc1C	144112582	RLVDBGSMCSDUST-UHFFFAOYSA-N	217.131	3.479	0	50	BGAA	in-vitro
CC[C@@H]1CCCCN1C[C@@H]1CCO[C@H](C)C1	170592983	VEYNQOZLHHUDOQ-MGPQQGTHSA-N	225.376	3.066	0	50	BGAA	
ClC1(Cl)[C@H]2[C@H]3O[C@@H](c4ccccc43)[C@@H]21	254788295	MCKIEIUOJSYDPH-IMSYWVGJSA-N	227.090	3.233	0	50	BGAA	
COc1cc(F)c2c(c1N)[C@@H](C)CC2(C)C	669375276	WHNLWPXJZVIHKG-ZETCQYMHSA-N	223.291	3.201	0	50	BGAA	
COc1cccc(OC)c1-c1cc(C)cc(C)n1	1239669011	ZLUDZPKASMUSBX-UHFFFAOYSA-N	243.306	3.383	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2ccc(O)c(C)n2)cc1	2356165444	IPXAZZACNWVTIF-NSHDSACASA-N	243.306	3.470	0	50	BGAA	
Cc1ccc(NC(=O)Cc2ccccc2)c(C)c1	101332	ZKXUPYAKPGIRLE-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
O=C(Oc1ccc(Cl)cc1)N1CCCCC1	135191	XKDUIEMPOJNANI-UHFFFAOYSA-N	239.702	3.325	0	50	BGAA	
O=C(NCc1ccc(Cl)cc1)C1CCCC1	473417	SLIKEWINRKKJDF-UHFFFAOYSA-N	237.730	3.146	0	50	BGAA	
Cc1cc2occ(CC(=O)O)c2cc1Cl	4137160	LJUUKSDHSFDRBS-UHFFFAOYSA-N	224.643	3.022	0	50	BGAA	in-vitro
O=C(O)/C(F)=C/c1ccc(C(F)(F)F)cc1	86722393	SUESUUCDGVINCC-YVMONPNESA-N	234.148	3.100	0	50	BGAA	
CCSc1ncc(C)cc1Br	126560506	MKYURSRDPWRUPA-UHFFFAOYSA-N	232.146	3.265	0	50	BGAA	
c1ccc(-c2nonc2-c2ccccc2)cc1	50906	RIIIXRZGXAJVEQ-UHFFFAOYSA-N	222.247	3.404	0	50	BGAA	biogenic
O=C1Nc2ccccc2/C1=C\c1ccccc1	224430	SXJAAQOVTDUZPS-JLHYYAGUSA-N	221.259	3.179	0	50	BGAA	
CCOC(=O)Nc1ccc(C(F)(F)F)cc1	2525511	JEVZZFDJGJRPMU-UHFFFAOYSA-N	233.189	3.274	0	50	BGAA	in-vitro
C[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1	6699854	IBKVAQKQCFWBCC-SNVBAGLBSA-N	236.290	3.232	0	50	BGAA	
CC(=O)c1ccc(F)c(C(F)(F)F)c1F	36533784	SDZJUILLCDFDFP-UHFFFAOYSA-N	224.128	3.186	0	50	BGAA	in-vitro
Cc1nnc(-c2ccncc2)c2ccccc12	149202612	JZFDYAQSNYSIPA-UHFFFAOYSA-N	221.263	3.000	0	50	BGAA	
CCN(C(=O)OC(C)(C)C)c1ccc(O)cc1	149358385	OZOCTEIXNRXNHY-UHFFFAOYSA-N	237.299	3.154	0	50	BGAA	
CC(C)n1nccc1-c1ccnc2[nH]ccc12	426740576	QSLJWLHKAYAAOB-UHFFFAOYSA-N	226.283	3.007	0	50	BGAA	
CC[C@@H]1CCC(=O)C[C@@H]1SC(C)C	725362438	SCWZVVMBZKRWOE-KOLCDFICSA-N	200.347	3.276	0	50	BGAA	
Cc1nc2ccnn2c(-c2ccsc2)c1C	2100483100	RCIBPTWCUVDVJG-UHFFFAOYSA-N	229.308	3.075	0	50	BGAA	
Cc1ccc(Sc2ncccc2C=O)cc1	168334	GBXIOMWDPVMNHG-UHFFFAOYSA-N	229.304	3.354	0	50	BGAA	in-vitro
CO[C@@H]1CCCC[C@@H]1Nc1ccccc1	293056	AIWUEFRPZLVRCO-QWHCGFSZSA-N	205.301	3.056	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)NC1CCCCC1	473405	KAHKBWDIMBADRZ-CYBMUJFWSA-N	238.375	3.293	0	50	BGAA	
CC1=CC(C)(C)N=C(S)N1c1ccc(O)cc1	1681640	NGVQDEKDCXEEID-UHFFFAOYSA-N	248.351	3.180	0	50	BGAA	
C[C@]1(c2ccccc2)OC(=O)[C@@H]2CC=CC[C@H]21	5377402	TYWXTPZJOBOWNJ-UMVBOHGHSA-N	228.291	3.041	0	50	BGAA	
CC1(C)CC(=O)c2c(-c3ccccc3)n[nH]c2C1	6308509	JTXCNILJAGVMNA-UHFFFAOYSA-N	240.306	3.232	0	50	BGAA	
COC(=O)c1cc2c(ccc3ccccc32)o1	6701445	JKFZKJRWDIOSFR-UHFFFAOYSA-N	226.231	3.373	0	50	BGAA	
C=CCCC[C@@](C)(C(=O)O)c1ccccc1	43198655	BKQYHTQHDAFYAB-CQSZACIVSA-N	218.296	3.385	0	50	BGAA	
CCc1cnc(-c2cc(C)ccc2OC)nc1	67515203	XDKXTOGLODAKGC-UHFFFAOYSA-N	228.295	3.023	0	50	BGAA	
Cc1cc2nc(Cl)nc(Cl)c2s1	72193723	ZDKZDOFEASCBMV-UHFFFAOYSA-N	219.096	3.307	0	50	BGAA	in-vitro
COC(=O)c1cc(-c2ccc(C)cc2C)ccn1	97757183	LBTZCXSYOKWLNC-UHFFFAOYSA-N	241.290	3.152	0	50	BGAA	
COC(=O)c1ccc2oc(C(C)(C)OC)cc2c1	114959303	XOZPJEIBQOJDSQ-UHFFFAOYSA-N	248.278	3.101	0	50	BGAA	
CC(C)(CC(=O)O)c1ccccc1C(F)(F)F	130704241	MVXGRVBZNDYMLM-UHFFFAOYSA-N	246.228	3.458	0	50	BGAA	
Fc1cc(Br)ncc1C(F)(F)F	238576749	DVXXMLKWJZGMEF-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CCOc1cc(O)cc(Cl)c1OC(C)C	261494071	PDQYENJXXQNBEW-UHFFFAOYSA-N	230.691	3.232	0	50	BGAA	
COc1cccc(-c2nccn2C2CC2)c1F	1875248858	SXNWEYLJRJPCAY-UHFFFAOYSA-N	232.258	3.033	0	50	BGAA	
CC1(C)CC(=O)c2c(noc2-c2ccccc2)C1	99537	KYTFDPUNAIZGBJ-UHFFFAOYSA-N	241.290	3.497	0	50	BGAA	
CC(C)N1C(=O)[C@@H](C)S[C@@H]1c1ccccc1	277903	SDKLGBFPKQIVEN-ZWNOBZJWSA-N	235.352	3.058	0	50	BGAA	
CC(C)OC(=O)CCCn1ccc2ccccc21	410170	JRRYTBBIXLFUGM-UHFFFAOYSA-N	245.322	3.373	0	50	BGAA	
O=C(O)/C=C/c1cc(Cl)ccc1Cl	2504908	LYYBVUOVYNSRSE-DAFODLJHSA-N	217.051	3.091	0	50	BGAA	in-vitro
CCCCCCc1ccc(CC(=O)O)cc1	2565556	UBZRHPKSSNSRGT-UHFFFAOYSA-N	220.312	3.437	0	50	BGAA	
O=C(O)c1ccccc1OCc1ccccc1F	7603993	TWXOLWSATVVQRE-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	
Cc1ccc([C@@H](CC(=O)O)C(C)C)cc1	11628845	ALSCSHNVIKLLRF-LBPRGKRZSA-N	206.285	3.209	0	50	BGAA	in-vitro
O=C(c1c(F)ccc(F)c1Cl)C(F)(F)F	40571904	OVZTZVXAFKOKLY-UHFFFAOYSA-N	244.546	3.363	0	50	BGAA	
CCO/C=C/C(=O)Nc1c(C)cccc1Cl	55161469	DBYFNZJHXGNAGW-BQYQJAHWSA-N	239.702	3.137	0	50	BGAA	in-vitro
Cc1cccc(C(=O)[C@@H]2CCC[C@H](C(=O)O)C2)c1	91676084	CRVGWBFUJRSQOX-OLZOCXBDSA-N	246.306	3.069	0	50	BGAA	
CC1(C)C[C@@]1(Cl)[S@@](=O)c1ccccc1	95627055	LDYHZLISFHJPKZ-BXUZGUMPSA-N	228.744	3.159	0	50	BGAA	
Nc1nc(-c2cc(Cl)ccc2F)cs1	96373391	PBKYPBXGDPKNNX-UHFFFAOYSA-N	228.679	3.185	0	50	BGAA	
Clc1cc2c(c(Cl)n1)CCCC2	114814449	VOOZWGPLJMWMTA-UHFFFAOYSA-N	202.084	3.267	0	50	BGAA	
OC/C=C/c1cccc(OCc2ccccc2)c1	215492142	QQGGFBBEVHNLKT-WEVVVXLNSA-N	240.302	3.271	0	50	BGAA	
CCCCn1cnc2cc(C(=O)OCC)ccc21	242750518	ZPRNYXHAECWWEB-UHFFFAOYSA-N	246.310	3.013	0	50	BGAA	
COc1ccc(F)cc1-c1nccn1C(C)C	426623183	HESQAULRSDDJHE-UHFFFAOYSA-N	234.274	3.279	0	50	BGAA	
Cc1ncsc1-c1nccn1C1(C2CC2)CC1	1857741243	KIVBWLSHCYSSAW-UHFFFAOYSA-N	245.351	3.214	0	50	BGAA	
COC(=O)c1cccc(-c2ccccc2F)c1	1257656	DNJLZWPDHXDLQP-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
Fc1ccc(Br)c(Cl)c1	2512242	LEFQPBAWVJEIJS-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	biogenic,in-vitro
COc1ccc(Oc2cccc(C(=O)O)c2)cc1	2513120	FSICQJNSMKWTNG-UHFFFAOYSA-N	244.246	3.186	0	50	BGAA	in-vitro
CC(C)Oc1ccc(F)cc1Br	2545232	HFSLIMXPHXLCKX-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	in-vitro
CC(C)(C)c1ccc(CCC(=O)NC2CC2)cc1	10434224	CTZLTRBTTMTTBI-UHFFFAOYSA-N	245.366	3.195	0	50	BGAA	
Cc1ccnc2cc(Br)ccc12	71257201	AGMXSOARXXPPIJ-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
Cc1cc(F)c(OC(F)(F)F)c(F)c1	167900105	QLGWXAPGYHLRHV-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
CC(=O)c1ccc2c(c1)[C@H]1[C@@H]3[C@H]([C@H]4CC[C@H]41)[C@@H]23	248380840	RIZPIOIQESKPGJ-AEBUUUDXSA-N	224.303	3.356	0	50	BGAA	
CC[C@@H](NC(=O)CCC(C)C)c1ccc(C)cn1	670445965	JGRWBYIVKAKUFY-CYBMUJFWSA-N	248.370	3.394	0	50	BGAA	
Cc1oc(C2CC2)c(C(=O)O)c1C(C)C	958528758	UGONPRONMXBEOS-UHFFFAOYSA-N	208.257	3.287	0	50	BGAA	
c1ccc(Cc2ncoc2-c2cccnc2)cc1	2356134794	CKMJBLUIBDMRMZ-UHFFFAOYSA-N	236.274	3.327	0	50	BGAA	
CC(C)C[C@@]1(C)N=C(S)N(c2ccccc2)N1	197188	WVCFFDMZHCQTJD-ZDUSSCGKSA-N	249.383	3.059	0	50	BGAA	
C[C@@H]1CCC[C@@H](NCc2ccc3c(c2)OCO3)C1	756997	CWGJTPQDJXRMRM-DGCLKSJQSA-N	247.338	3.084	0	50	BGAA	
CC(C)[C@@H]1Cc2ccc([C@H](C)C(=O)O)cc2C1	1846288	RYDUZJFCKYTEHX-GXFFZTMASA-N	232.323	3.246	0	50	BGAA	in-man
O=C(c1ccc(Br)cc1F)C1CC1	2514288	NULDLBYCYVZYLM-UHFFFAOYSA-N	243.075	3.181	0	50	BGAA	in-vitro
CCCCNCCOc1ccc(C)cc1Cl	2933405	FWPORLOVAAAOQM-UHFFFAOYSA-N	241.762	3.417	0	50	BGAA	
Cc1cccc(NC(=O)NCc2cccs2)c1	4854923	SLJGXHUAHRLAHE-UHFFFAOYSA-N	246.335	3.378	0	50	BGAA	
CCc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1	6727115	WXSXTSAVYJRTHI-MJVIPROJSA-N	231.339	3.082	0	50	BGAA	
CSc1cccc(NC(=O)C(C)(C)C)c1	32978809	YVFQBMWVHFJEED-UHFFFAOYSA-N	223.341	3.393	0	50	BGAA	
O=C(Cc1cccc(F)c1)c1cccc(F)c1	37992310	IUXIYCGOSUZQPA-UHFFFAOYSA-N	232.229	3.390	0	50	BGAA	
O=C1CCCC[C@H]1C(=O)c1ccc(Cl)cc1	38885919	MNCFWYXCYZTXJU-LLVKDONJSA-N	236.698	3.282	0	50	BGAA	
C[C@@H](N)c1ccc(SC(F)(F)F)cc1	95666557	LNAPOOBGPIVJHX-ZCFIWIBFSA-N	221.247	3.318	0	50	BGAA	
CC[C@H](N[C@H](C)c1cccc(O)c1)[C@@H]1CCCO1	249544737	JZEKZNXUMHZTMM-UGFHNGPFSA-N	249.354	3.000	0	50	BGAA	
C[C@H](CCN1CCCC[C@H]1CO)c1ccccc1	299872738	BGANQIAXOIFQLM-ZBFHGGJFSA-N	247.382	3.027	0	50	BGAA	
Cc1cc(C)n(CCN(C)[C@@H]2CCC(C)(C)C2)n1	361470223	OEVIFMYXXIOGQD-CQSZACIVSA-N	249.402	3.010	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2ccc(C)nc2N)cc1	426477271	SZZCSWOVMVUOBJ-NSHDSACASA-N	242.322	3.347	0	50	BGAA	
C[C@@H](CSc1ccc(Cl)cc1)C(=O)O	107153	ZSTRUEASXLQXCM-ZETCQYMHSA-N	230.716	3.153	0	50	BGAA	
Cc1cccnc1NC(=O)Nc1ccccc1	291264	IKDYBHFQQDWWKB-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
CCOC1(c2ccccc2)Oc2ccccc2O1	402004	MHGDKEXGRUSUMX-UHFFFAOYSA-N	242.274	3.305	0	50	BGAA	
Cn1c2ccccc2c2cc(C=O)ccc21	2054157	PNTJHESWOJBCRP-UHFFFAOYSA-N	209.248	3.144	0	50	BGAA	
CCN(CC)CCOc1ccc(Cl)cc1C	5023705	PCMDBRFRMHLQLH-UHFFFAOYSA-N	241.762	3.369	0	50	BGAA	
CC1CCN(c2nccc3ccccc23)CC1	5500902	GVTVSOPGEBEKSM-UHFFFAOYSA-N	226.323	3.471	0	50	BGAA	
C[C@]1(c2ccccc2)NCCc2ccccc21	31417656	TUTBQGAMVCUYQM-MRXNPFEDSA-N	223.319	3.096	0	50	BGAA	
COc1cc(-c2ccccc2O)ccc1F	65340008	CIBZHEMWHQUTKC-UHFFFAOYSA-N	218.227	3.207	0	50	BGAA	in-vitro
CC(C)c1nc2cc(-c3cc[nH]n3)ccc2o1	67714700	MTEFDXGDOXSLIC-UHFFFAOYSA-N	227.267	3.341	0	50	BGAA	
CN1c2ccccc2CNc2ccccc21	71774361	OKZLESLUPWGIIR-UHFFFAOYSA-N	210.280	3.380	0	50	BGAA	
CC(=O)CC(=O)c1cc(Cl)cc(Cl)c1	200778649	WPSOFGLSZUSEOT-UHFFFAOYSA-N	231.078	3.155	0	50	BGAA	
C[n+]1c(-c2ccccc2)sc2ccccc21	272730	RFFALINBQQJQGC-UHFFFAOYSA-N	226.324	3.393	0	50	BGAA	
O=c1c(-c2ccccc2)c1-c1ccccc1	1020197	HCIBTBXNLVOFER-UHFFFAOYSA-N	206.244	3.256	0	50	BGAA	biogenic,investigational
O=Cc1ccc(SC(F)(F)F)cc1	2582088	OPAXHVNZGUGCKW-UHFFFAOYSA-N	206.188	3.111	0	50	BGAA	in-vitro
CC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	3134442	CIJAAXYQLAJGGN-SSDOTTSWSA-N	233.094	3.350	0	50	BGAA	
Cc1occc1-c1n[nH]c(=S)n1CC(C)C	6556461	XPDKQJLFQHPHJF-UHFFFAOYSA-N	237.328	3.165	0	50	BGAA	
Cc1cccc(NC(=O)Nc2ncccc2C)c1	9875956	VSCRBQQKKSZNLC-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
CCCCNC(=O)c1cccc(OC(C)C)c1	10472061	NGEFNOQXZHPCRZ-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
CC(C)C(=O)c1ccc(Br)cc1	11631530	PMFLKZHWZXWOEH-UHFFFAOYSA-N	227.101	3.288	0	50	BGAA	in-vitro
Cc1ccc(-c2ccc(N)c(F)c2)cc1	16945909	XEKQWLSOOILBLD-UHFFFAOYSA-N	201.244	3.383	0	50	BGAA	
O=C1CCSc2c(Br)cccc21	37381331	SENLCBPDEOSXHY-UHFFFAOYSA-N	243.125	3.128	0	50	BGAA	
CCc1cc(Br)ccc1F	63932415	AFMZYBYSTYYOFO-UHFFFAOYSA-N	203.054	3.151	0	50	BGAA	in-vitro
Cc1nc(C)c(-c2ccc(O)cc2)s1	65373326	QSXUEVKIZLJCPR-UHFFFAOYSA-N	205.282	3.133	0	50	BGAA	
Cc1ccc(F)c(-c2ccccc2CCN)c1	67820154	ZVHVHRXLDWXOFM-UHFFFAOYSA-N	229.298	3.302	0	50	BGAA	
CCCS(=O)(=O)c1ccc2ccccc2c1	71774210	HEUDKNKTJSZQNC-UHFFFAOYSA-N	234.320	3.024	0	50	BGAA	
O[C@H]1CCCCc2c(Br)cccc21	147029593	ULWCKWUKHBHFEQ-NSHDSACASA-N	241.128	3.209	0	50	BGAA	in-vitro
CCCCn1c[n+](COC(C)C)c2ccccc21	230519701	BDSJRWCJLPQHQP-UHFFFAOYSA-N	247.362	3.111	0	50	BGAA	
Cc1cccc(-c2noc(-c3ccccc3)n2)n1	356198979	YBDSYWJFMXGVLF-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
Cc1nc(C)c(-c2cnc3cccc(F)c3c2)[nH]1	1875248703	IPDODGWZJNTYSQ-UHFFFAOYSA-N	241.269	3.381	0	50	BGAA	
CC(C)N(C(=O)c1ccc(F)cc1)C(C)C	292816	ATALYWHBUWYPTA-UHFFFAOYSA-N	223.291	3.085	0	50	BGAA	
CC(C)N(Cc1ccccc1)C(=O)c1ccco1	316563	RQHTYIZJSXVDIG-UHFFFAOYSA-N	243.306	3.330	0	50	BGAA	
CC(C)NC(=O)Nc1cccc(C(F)(F)F)c1	1098874	VSNLEYYKXJCTSG-UHFFFAOYSA-N	246.232	3.235	0	50	BGAA	
CCc1cccc(C)c1I	2169303	PCSPENCTMKMGFE-UHFFFAOYSA-N	246.091	3.162	0	50	BGAA	in-vitro
CC(C)OC1(OC(C)C)CCCCC1	2560250	PLNTYOACSMHWBN-UHFFFAOYSA-N	200.322	3.497	0	50	BGAA	in-vitro
CCOc1ccc(-c2ccccc2)cc1N	2580677	TYWUJHITARZHMH-UHFFFAOYSA-N	213.280	3.335	0	50	BGAA	in-vitro
FC(F)(F)c1ccc(-c2cc[nH]n2)cc1	4243564	MNOULQLXILYKNV-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	in-vitro
Clc1ccc2[nH]c(N3CCCCC3)nc2c1	5075159	CVLDPARFNKJSKT-UHFFFAOYSA-N	235.718	3.207	0	50	BGAA	
CC(C)(C)C(=O)NCc1ccccc1Cl	5726545	XIYIHDPIDPTEHN-UHFFFAOYSA-N	225.719	3.002	0	50	BGAA	
O=C1CCC[C@]12CCCN(Cc1ccccc1)C2	34577103	RDDQPGLSXUKHJS-MRXNPFEDSA-N	243.350	3.022	0	50	BGAA	
Cc1cc(-c2ccccc2)nc2nc(N)ccc12	44143678	WVOPIDVTYJMRPT-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
CCc1ccc(CN(C)[C@H](C)c2ccccn2)o1	65527232	YRBDAZMMEONACM-GFCCVEGCSA-N	244.338	3.430	0	50	BGAA	
COC(=O)Cc1cccc(-c2ccccc2C)c1	97757179	BSZJXBYLOUKBPP-UHFFFAOYSA-N	240.302	3.378	0	50	BGAA	
CCN(CC)Cc1cc(F)ccc1Cl	188805022	AOIBPHWDFUZGCB-UHFFFAOYSA-N	215.699	3.321	0	50	BGAA	
Cc1nc(NC(C)C)c2c(C)csc2n1	196136421	RRWNVEDDKMXRNN-UHFFFAOYSA-N	221.329	3.128	0	50	BGAA	
CCc1cccc(CN2CCC3(CCO3)CC2)c1	367098797	IKQRIFZUVAPTFD-UHFFFAOYSA-N	245.366	3.004	0	50	BGAA	
CC(C)=CCN1CCC([C@@H]2CCCOC2)CC1	371644632	CCYWKFDYJOKEJW-OAHLLOKOSA-N	237.387	3.091	0	50	BGAA	
Cc1cccc(-c2nc3ccccc3c(=O)o2)c1	97709	QLLAOEHPWSMBGB-UHFFFAOYSA-N	237.258	3.163	0	50	BGAA	
CC(C)Cc1ccc([C@@H](C)C(=O)O)cc1	113398	HEFNNWSXXWATRW-SNVBAGLBSA-N	206.285	3.073	0	50	BGAA	biogenic,fda
C[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1	3039070	QURMOGAHPSNBBS-IUODEOHRSA-N	237.302	3.411	0	50	BGAA	biogenic
S=c1[nH]ccn1-c1cccc(Cl)c1	3354114	QEXPSALLWMDPFX-UHFFFAOYSA-N	210.689	3.188	0	50	BGAA	in-vitro
CC(C)(C)C1CCC(N2CCC(O)CC2)CC1	3683536	GAEOEISWYAJVPH-UHFFFAOYSA-N	239.403	3.048	0	50	BGAA	
CC[C@@H](O)c1nc2ccccc2n1CC(C)C	7548654	BFHBHANBTOZKHS-CYBMUJFWSA-N	232.327	3.136	0	50	BGAA	
CN1CCC[C@@H](CCc2ccccc2F)C1	12199175	RUMOINYFKUXZDN-LBPRGKRZSA-N	221.319	3.100	0	50	BGAA	
O=C(O)c1cccc(-c2nc3ccccc3o2)c1	16545327	VSIDLODXMSPACX-UHFFFAOYSA-N	239.230	3.193	0	50	BGAA	
CCCCNc1ccc(Br)cn1	21517851	NKIGJAVDIHVPRE-UHFFFAOYSA-N	229.121	3.056	0	50	BGAA	in-vitro
CC(C)=CCC[C@@H](C)CN1CCC[C@@H](CO)C1	23281350	FWFISHFNIWPLMS-HUUCEWRRSA-N	239.403	3.073	0	50	BGAA	
COc1ccc(C)cc1-c1ccc(C(=O)O)cc1	33427581	UJMQXIMMGHIXGK-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
CC(C)[C@@H]1CCC(Br)=C(CO)C1	43199213	DRLYSMGDEFJMER-MRVPVSSYSA-N	233.149	3.084	0	50	BGAA	
CSc1ccc(Cl)cc1NC(C)=O	64492872	AWHMYVHJIMDBNU-UHFFFAOYSA-N	215.705	3.020	0	50	BGAA	
CC(C)[C@H]1COC(c2ccc3ccccc3n2)=N1	71773536	CCXYFOHSQUOJAN-CQSZACIVSA-N	240.306	3.036	0	50	BGAA	
Clc1cnc2cc(Br)cnc2c1	238558914	XLWGQJNACPZXJQ-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
Nc1c(Cl)ccc(OC(F)F)c1Cl	263625056	WIZAIBLBZIUGAG-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
CC1(C)CC[C@H](N2CC(c3ccncc3)C2)C1	1857708747	LSCFWSJHGQQDPC-AWEZNQCLSA-N	230.355	3.060	0	50	BGAA	
CCCCNC(=O)Nc1ccc(Cl)cc1	1670672	MNOHIZOFLRRKSB-UHFFFAOYSA-N	226.707	3.262	0	50	BGAA	
Cc1csc(NC(=O)/C=C/c2ccccc2)n1	1903893	NEOPWXSQQLTDNB-BQYQJAHWSA-N	244.319	3.103	0	50	BGAA	
Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1	3716274	QNVGTVGYFLNBOG-UHFFFAOYSA-N	246.122	3.094	0	50	BGAA	
CCOC(=O)/C=C(/C)Nc1ccc(Cl)cc1	17378794	XZLWEBJIBFUTCP-HJWRWDBZSA-N	239.702	3.219	0	50	BGAA	
c1ccc2c(c1)CCN1CC[C@@H]3CCCC[C@@]231	38190838	PERYEAFHHZTAKL-HOCLYGCPSA-N	227.351	3.334	0	50	BGAA	in-vitro
Fc1c(Br)cc(F)c2ncccc12	38537308	GVFUBMHGLPCFNH-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	in-vitro
CC[C@H](c1cccnc1)N(C)Cc1ccccn1	65528174	WULZOFQOKSGGJZ-OAHLLOKOSA-N	241.338	3.060	0	50	BGAA	
CN[C@H](COc1cc(C)ccc1Cl)C1CC1	95627552	SEYJUTCWTVEJBD-GFCCVEGCSA-N	239.746	3.025	0	50	BGAA	
C[C@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2	105194543	HKLJAIPTHOKCPY-SYAUCNOPSA-N	229.367	3.396	0	50	BGAA	
CCc1nc(Nc2cccnc2)sc1C	170615333	PXWOAKHGEJSVAE-UHFFFAOYSA-N	219.313	3.153	0	50	BGAA	
C[C@@H](N)c1cc(Br)c(Cl)s1	227728903	OFHXZOZAIGIGPE-GSVOUGTGSA-N	240.553	3.184	0	50	BGAA	
COC(=O)c1c[nH]c2ccc(C(C)(C)C)cc12	238950396	XXABSQHJCSHZTA-UHFFFAOYSA-N	231.295	3.252	0	50	BGAA	
CC[C@H](C)NC(=O)/C=C/c1ccc([C@@H]2C[C@H]2C)o1	245237487	KTNOEYIKHDTYLD-WJAVYJQDSA-N	247.338	3.331	0	50	BGAA	
Nc1ccc(-c2cnc3cccc(F)c3c2)nc1	1875245402	YCMUKBXBMOGLHO-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
FC(F)(F)c1cccc(-c2cc[nH]n2)c1	57711	VHGYUJSYTDIYSS-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	in-vitro
COc1ccccc1CNCc1ccc(C)cc1	294254	OQJJHOINEPRSJL-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	
C[C@H](NC(=S)c1ccncc1)c1ccccc1	323088	GSKFABXFQLPNKA-NSHDSACASA-N	242.347	3.108	0	50	BGAA	
CSc1ccc2cc(C=O)c(Cl)nc2c1	333657	AZKPVKLQVQZMHR-UHFFFAOYSA-N	237.711	3.423	0	50	BGAA	
O=C(O)CCCCCCCCCCCC(=O)O	1700020	DXNCZXXFRKPEPY-UHFFFAOYSA-N	244.331	3.447	0	50	BGAA	endogenous,in-man
CC(=O)n1c2ccccc2c2ccccc21	1867335	CADSTRJVECIIAT-UHFFFAOYSA-N	209.248	3.455	0	50	BGAA	biogenic,in-vitro
CC(C)(C)NCCCCOc1ccccc1	2464413	QWPFSABAAGLGDN-UHFFFAOYSA-N	221.344	3.234	0	50	BGAA	
COC(=O)CCCCCCCCCCCN	2510855	NDBSIOZEOQUDBF-UHFFFAOYSA-N	229.364	3.019	0	50	BGAA	in-vitro
Nc1ccc2c(c1)Nc1ccccc1CC2	3878697	SQWQJTDHBAWIMQ-UHFFFAOYSA-N	210.280	3.111	0	50	BGAA	biogenic
Cc1csc2nc(Cl)nc(Cl)c12	11919431	OIJVRHXVISHQPS-UHFFFAOYSA-N	219.096	3.307	0	50	BGAA	
O=C(O)[C@@H](c1ccccc1)[C@H]1C=CCCC1	34539330	LOSBWJVOKBTXJJ-STQMWFEESA-N	216.280	3.211	0	50	BGAA	
CSc1cc(F)ccc1Br	36421023	JPRNOVPCJUSIBE-UHFFFAOYSA-N	221.094	3.310	0	50	BGAA	in-vitro
O=c1cccc(-c2cc3ccccc3s2)[nH]1	65339301	FGLOSMCLGCAROT-UHFFFAOYSA-N	227.288	3.257	0	50	BGAA	in-vitro
c1cc2c(cc1N[C@H]1C[C@H]3CC[C@H]1C3)OCO2	101833221	CCPSLTRUBGOSNE-NHCYSSNCSA-N	231.295	3.016	0	50	BGAA	
C[C@H]1CCCN(C(=O)c2csc(Cl)c2)C1	188896829	VYALHMVMOAERIY-QMMMGPOBSA-N	243.759	3.274	0	50	BGAA	
Cc1cc(-c2cncc(C(C)(C)O)c2)ccc1F	426701455	PZHSAEWYYQPQMS-UHFFFAOYSA-N	245.297	3.424	0	50	BGAA	
C[C@H]1CCC[C@@H]1Nc1cc(C(F)F)ncn1	724635584	OHPIECNQZBNREJ-YUMQZZPRSA-N	227.258	3.015	0	50	BGAA	
c1ccc2sc(-c3ccncc3)nc2c1	19639	PDSIQRUYAXGTJG-UHFFFAOYSA-N	212.277	3.358	0	50	BGAA	
O=C(O)C[C@H](c1ccc(Cl)cc1)n1cccc1	118438	MGUALOLWCRAAAA-GFCCVEGCSA-N	249.697	3.206	0	50	BGAA	
Cc1cccc(-c2noc(-c3ccco3)n2)c1	319837	GIKBZQXBDBHRKL-UHFFFAOYSA-N	226.235	3.305	0	50	BGAA	
O=C(c1ccccc1)c1nccc2ccccc12	332894	MDWCIKACMBMJFA-UHFFFAOYSA-N	233.270	3.466	0	50	BGAA	
COc1ccccc1CNc1ccccc1F	349811	CMHIMUDCJGMXGP-UHFFFAOYSA-N	231.270	3.446	0	50	BGAA	
COc1ccccc1-c1ccccc1OC	400120	VGMKUVCDINAAFC-UHFFFAOYSA-N	214.264	3.371	0	50	BGAA	biogenic,in-vitro
CCOc1ccc2c(C)c(CC)c(=O)oc2c1C	449513	KZZPCLBMVSHIPH-UHFFFAOYSA-N	246.306	3.371	0	50	BGAA	
CCCCCC[C@H]1C(=O)CC[C@H]1CC(=O)OC	1902254	GLASPHLTTAHWPI-NWDGAFQWSA-N	240.343	3.115	0	50	BGAA	biogenic
O=C(O)c1ccc(-c2cc(F)cc(F)c2)cc1	2513032	VCEFNMHMLWBFNV-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vivo
Fc1ccc(OCCCNC2CCCC2)cc1	2845104	QUSRIQJVMXFYQF-UHFFFAOYSA-N	237.318	3.127	0	50	BGAA	
O=C(c1ccc(C(F)(F)F)cc1)C(F)(F)F	4290221	ZERSWRKHUIMRSN-UHFFFAOYSA-N	242.118	3.450	0	50	BGAA	
Cc1ccc2oc(-c3ccc(CN)cc3)nc2c1	4487753	HNAMVKUEIKNELN-UHFFFAOYSA-N	238.290	3.262	0	50	BGAA	
Cc1c(C(C)C)c(=O)oc2c(C)c(O)ccc12	4540362	SFIPEZPWGXKQKY-UHFFFAOYSA-N	232.279	3.239	0	50	BGAA	
Nc1[nH]nc(-c2ccccc2)c1-c1ccccc1	13113918	JWPUMLMBTPMEQA-UHFFFAOYSA-N	235.290	3.326	0	50	BGAA	
Cc1cc(-c2ccc(CO)cc2)nc(C(C)C)n1	32587365	DRGFGILVJWBMSG-UHFFFAOYSA-N	242.322	3.068	0	50	BGAA	
CC(C)(C)n1nccc1-c1ccccc1	42188363	OVLMIRLFPBIQHP-UHFFFAOYSA-N	200.285	3.305	0	50	BGAA	
CCOC(=O)c1ccc(F)cc1C(F)(F)F	44200375	QDOQNCZRSWZZOG-UHFFFAOYSA-N	236.164	3.021	0	50	BGAA	
O=C(NCCSc1ccccc1)C1CCCC1	61082834	LTCKLRHLJIHIKD-UHFFFAOYSA-N	249.379	3.085	0	50	BGAA	
O=C(OCc1ccccc1)N1C=CC=CC=C1	71786878	ZQHNRKXSXWMEFH-UHFFFAOYSA-N	227.263	3.222	0	50	BGAA	
O=C1CCC2(CC1)CCc1ccccc12	82080575	YKVYDPXSEBDAGJ-UHFFFAOYSA-N	200.281	3.014	0	50	BGAA	in-vitro
Cc1ccc(-c2ccc(N)cc2)cc1F	85476935	ZZOHEAHSODMRNP-UHFFFAOYSA-N	201.244	3.383	0	50	BGAA	in-vitro
Oc1cc(Cl)c(OC(F)F)cc1Cl	263624273	OXGYHFQGANXJCA-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
COC(=O)Cc1cc(C)c(Cl)cc1Cl	263625006	VZVPTXDFDQUMBG-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
CCOC(=O)Cc1ccc(Cl)cc1Cl	1665978	GQKNWRRUKBQMFY-UHFFFAOYSA-N	233.094	3.099	0	50	BGAA	in-vitro
CC(=O)Cc1ccc(Cl)c(Cl)c1	2558079	AJUAASWQUWIMHM-UHFFFAOYSA-N	203.068	3.125	0	50	BGAA	in-vitro
COc1ccc(Oc2ccccc2)cc1N	2562428	SCDKUQBOSDILAR-UHFFFAOYSA-N	215.252	3.070	0	50	BGAA	in-vitro
Cc1cc(-c2nc3ccccc3[nH]2)ccc1N	4385942	KQNKTCAHTQUVBT-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	in-vitro
O[C@H]1CCCCCCCc2ccc(cc2)C1	4795158	XPPUVKGHKOLASC-HNNXBMFYSA-N	218.340	3.487	0	50	BGAA	
CC[C@@H](N)c1cc(Cl)ccc1Cl	8705758	QDTICOAVVMENTI-SECBINFHSA-N	204.100	3.403	0	50	BGAA	in-vitro
O=C(O)c1ccccc1OCCc1ccccc1	8723048	FPFOIMVFHYUQTD-UHFFFAOYSA-N	242.274	3.006	0	50	BGAA	
O=Cc1c(Br)ccc(Cl)c1F	75914833	ILJCPNFAFWGTAR-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	in-vitro
Cc1ncn(CCc2ccc(F)c(F)c2)c1C	177956454	CYYDVWTWFNWJKL-UHFFFAOYSA-N	236.265	3.021	0	50	BGAA	
Cc1ccoc1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	264845987	HTOPWCHJADXRHQ-CYDGBPFRSA-N	247.338	3.143	0	50	BGAA	
C[C@H]1CC(Nc2ncnc3[nH]ccc23)C[C@H](C)C1	352242295	SXLFIMKBSLGBIW-NXEZZACHSA-N	244.342	3.195	0	50	BGAA	
CCCCc1ncc(CN(C)C[C@@H]2CC2(C)C)[nH]1	584903356	JCQZDZHHRGEYFJ-LBPRGKRZSA-N	249.402	3.230	0	50	BGAA	
Cc1cnc2n1CC[C@@H]2NC[C@@H]1CCC[C@@H](C)C1	2325777876	LNNQXDDBMBTYEQ-BNOWGMLFSA-N	247.386	3.052	0	50	BGAA	
CN(CCC1CC1)C(=O)C1CC2(C1)CC(C)(C)C2	2325871674	UPZJBGIOPTVLSZ-UHFFFAOYSA-N	249.398	3.461	0	50	BGAA	
Cc1nn2cccnc2c1-c1ccc2cc[nH]c2c1	2356169760	YPNUCSWOLCAHGW-UHFFFAOYSA-N	248.289	3.186	0	50	BGAA	
Fc1cccc(NCc2ccc3c(c2)OCO3)c1	68281	LCTMBIZVSGRNKA-UHFFFAOYSA-N	245.253	3.167	0	50	BGAA	
Clc1ccccc1CNCc1cccnc1	208776	COZWJDQWGHMDEV-UHFFFAOYSA-N	232.714	3.025	0	50	BGAA	
Clc1cc(-c2ccccc2)nc(Cl)n1	1681184	VRNSMZDBMUSIFT-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	in-vitro
C[C@@H](NC(N)=O)c1ccc(-c2ccccc2)cc1	2902027	DAJLEYAIEUBXKT-LLVKDONJSA-N	240.306	3.083	0	50	BGAA	
CC[C@@H](C)c1ccc(NC(=O)N(C)C)cc1	4827956	GGKFVFAPZWHYSQ-SNVBAGLBSA-N	220.316	3.294	0	50	BGAA	
COc1ccc(N/C=C/C(=O)c2ccco2)cc1	4982111	YNWZRWWLYACMKW-CMDGGOBGSA-N	243.262	3.097	0	50	BGAA	
COc1cccc(CNCc2ccc(F)cc2)c1	6701511	RMKBMNRDMKXOOB-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	
COc1ccc([C@H]2C[C@@H]2C(F)(F)F)cc1	38247051	UTRMKLBOBJXYON-ZJUUUORDSA-N	216.202	3.361	0	50	BGAA	
CC(C)(C)c1ccc2nc([C@H]3CCOC3)[nH]c2c1	67587471	HHOVRJXEZYMJFS-JTQLQIEISA-N	244.338	3.364	0	50	BGAA	
Brc1cccc2c1ncn2C1CC1	95631133	XMZYAQWVNKCHOB-UHFFFAOYSA-N	237.100	3.134	0	50	BGAA	
Clc1cc(-c2ccccc2)n2nccc2n1	142572837	BPJXPKAXWAQZLD-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
CCCCOc1c(Cl)ccc(O)c1F	261493453	BJTNIEXLLQLMNJ-UHFFFAOYSA-N	218.655	3.364	0	50	BGAA	
CC(C)(C)OC(=O)c1cnc(Cl)cc1Cl	306145249	XPAVOQSQZMCRRR-UHFFFAOYSA-N	248.109	3.344	0	50	BGAA	
Cc1ccc(C(=O)[C@H](C)CN2CCCCC2)cc1	57520	FSKFPVLPFLJRQB-CQSZACIVSA-N	245.366	3.300	0	50	BGAA	biogenic,world
Cc1csc2c(Cl)nc(Cl)nc12	4243135	WUXYWALKGQDXFI-UHFFFAOYSA-N	219.096	3.307	0	50	BGAA	in-vitro
Clc1ccc2nc(-c3ccccc3)cn2n1	5117444	FPWMERDSYDEJOP-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	in-vitro
O=C(O)CCCOc1ccc2ccccc2c1	5175414	ROEWDSOBRSEWBI-UHFFFAOYSA-N	230.263	3.083	0	50	BGAA	
CC(C)Oc1ccccc1NC(=O)c1ccco1	10683913	PQDHUGYLPQNTHD-UHFFFAOYSA-N	245.278	3.319	0	50	BGAA	
CCC1CCC(N(C)CCN(CC)CC)CC1	19608903	QSPUQJPGYXGUIV-UHFFFAOYSA-N	240.435	3.229	0	50	BGAA	
O=C(O)c1cc(F)cc(-c2ccccc2)c1	20397757	CMQRNIJBMDZLEU-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
c1cc2c3c(ccc(-c4cc[nH]n4)c3c1)CC2	31811587	YIJURIDIHFXPQZ-UHFFFAOYSA-N	220.275	3.329	0	50	BGAA	
COC(=O)C1(C)c2ccccc2-c2ccccc21	34410925	IHPSWTZHVWAGFX-UHFFFAOYSA-N	238.286	3.146	0	50	BGAA	
Sc1cc(Cl)cc(Br)c1	67799978	UZUXOOFXQLBGNH-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	
Brc1coc(-c2ccccc2)n1	90411524	NIHUUTIZYTZSSW-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	
C[C@@]1(CNc2ccnc3ccccc23)CCCO1	94804894	LVKYPRLHBVJKDP-HNNXBMFYSA-N	242.322	3.216	0	50	BGAA	
CCCCNC[C@H]1C[C@H](C)c2ccccc2C1=O	96026833	DMLSMEWRMJQNOO-QWHCGFSZSA-N	245.366	3.382	0	50	BGAA	
CC[C@H](NCCCF)c1ccccc1F	134593381	OADYWCLILLTWAF-LBPRGKRZSA-N	213.271	3.226	0	50	BGAA	
CC(=O)N1N=C(C)C[C@@H]1[C@@H]1[C@@H](C)C=C(C)C[C@@H]1C	226152110	PFFGFWMMIMDKRY-UOVKNHIHSA-N	248.370	3.222	0	50	BGAA	
COc1cnccc1-c1ccc(C)c(C)c1	1240700835	GCLQOXUWRIPDDE-UHFFFAOYSA-N	213.280	3.374	0	50	BGAA	
O=C(Nc1nccs1)c1ccc(Cl)cc1	60374	PMLPORHMVWQTCZ-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
CCOc1ccccc1C(=O)N1CCCC[C@@H]1C	375944	FCAHFHIFBQQYTP-LBPRGKRZSA-N	247.338	3.100	0	50	BGAA	
O=c1c(-c2ccccc2)coc2ccccc12	895390	GOMNOOKGLZYEJT-UHFFFAOYSA-N	222.243	3.460	0	50	BGAA	biogenic,world
NCc1cccc(Oc2ccc(F)cc2)c1	2513115	DUVFUYQHKUSTFB-UHFFFAOYSA-N	217.243	3.077	0	50	BGAA	in-vitro
CC(C)OP(=O)(OC(C)C)N1CCCCC1	2810025	XGDSUQQLZRKXNP-UHFFFAOYSA-N	249.291	3.430	0	50	BGAA	
COc1ccc(Cl)cc1C(F)(F)F	6406343	XTSYMXDINZLUEV-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	
c1cc(CCCCCc2ccncc2)ccn1	8701067	PIJFGLXOHBCCLM-UHFFFAOYSA-N	226.323	3.432	0	50	BGAA	
O=C1CCc2cc(OCc3ccccc3)ccc21	11919368	LYTKODVZMLEVSA-UHFFFAOYSA-N	238.286	3.395	0	50	BGAA	
C[C@@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1	19902765	GLRMEEBQIWKFEQ-SECBINFHSA-N	244.260	3.337	0	50	BGAA	
O=C(O)c1ccc(-c2ccccc2)cc1F	21950713	OCBXYYOULFLHEZ-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
Cc1ccc(N2CCCC2)cc1Br	36156121	VRBCUALUTWWUER-UHFFFAOYSA-N	240.144	3.358	0	50	BGAA	in-vitro
CC[C@H](C)Oc1c(OC)cccc1-c1ncc[nH]1	67434389	NSTRPSKNINTAPX-JTQLQIEISA-N	246.310	3.263	0	50	BGAA	
C/C=C(\C)CN(C)Cc1nc2ccc(C)cc2[nH]1	67878115	APAUTNWCRIPVDT-VZUCSPMQSA-N	243.354	3.269	0	50	BGAA	
FC(F)(F)c1cccc(-c2cncnc2)c1	67983171	WNSPOAZBQIYOLK-UHFFFAOYSA-N	224.185	3.162	0	50	BGAA	
Cn1ccc2cc(C[C@@H]3CCCCO3)ccc21	91736551	HIRLHFITTIFFLN-AWEZNQCLSA-N	229.323	3.290	0	50	BGAA	
C[C@H](CCC1CC1)Nc1cccc(CO)c1	191944924	BNSMOGJRKAQDJQ-LLVKDONJSA-N	219.328	3.170	0	50	BGAA	
Cc1ccc2oc([C@H]3CC[C@H](CN)CC3)nc2c1	242463426	DAZIVKWNLZVHJC-HAQNSBGRSA-N	244.338	3.369	0	50	BGAA	
C[C@H](N[C@H](C)c1ccnc(O)c1)c1ccsc1	340446876	QDUHDHCTRUFJPZ-ZJUUUORDSA-N	248.351	3.261	0	50	BGAA	
Nc1nnc(-c2ccc(Cl)cc2Cl)s1	193067	KNZULSYPOPMUED-UHFFFAOYSA-N	246.122	3.094	0	50	BGAA	in-vitro
CCc1cccc(CC)c1NC(=O)NC(C)C	397958	QFNYOPJMWYSGNG-UHFFFAOYSA-N	234.343	3.341	0	50	BGAA	
CCCC(=O)c1c(C)c2ccccc2n1C	442846	YZMGXJDSFNZAGK-UHFFFAOYSA-N	215.296	3.470	0	50	BGAA	in-vitro
C[C@@H]1CCC[C@@H](C)N1C(=O)C1CCCCC1	475447	CFSVDFDJZBYXIZ-VXGBXAGGSA-N	223.360	3.356	0	50	BGAA	
C[C@@H](OC(=O)Nc1ccccc1)C1CC1	1643784	YMENJNIPYVAVJY-SECBINFHSA-N	205.257	3.034	0	50	BGAA	
CCOC(=O)Cc1csc2ccccc12	1675142	QAJKYZFZTOKLRE-UHFFFAOYSA-N	220.293	3.007	0	50	BGAA	
Nc1cc(Cl)c(Cl)cc1Br	2567818	MAMRRASCBCVQHO-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	
O=C(O)CCCSc1ccc(Cl)cc1	3164288	SBRQBQHVYFSULX-UHFFFAOYSA-N	230.716	3.297	0	50	BGAA	in-vitro
Cc1ccccc1[C@]1(CCN)CCOC(C)(C)C1	3185081	XYUPEYRXKSKWTG-MRXNPFEDSA-N	247.382	3.171	0	50	BGAA	
COc1ccc(C)cc1NC(=O)C1CCCC1	3567265	DSYVOOAXVXHAMQ-UHFFFAOYSA-N	233.311	3.132	0	50	BGAA	
Cc1ccc(-c2cc(C(=O)O)c(C)[nH]2)cc1C	4235117	IVINRFQYECVDKJ-UHFFFAOYSA-N	229.279	3.305	0	50	BGAA	
Cc1ccc(C(=O)N[C@@H](C)C(C)(C)C)s1	13331800	CLGIUCWRIXPHDN-VIFPVBQESA-N	225.357	3.221	0	50	BGAA	
COc1ccc(-c2csc(S)n2)cc1	16217466	HHKFGXNOUWCQEF-UHFFFAOYSA-N	223.322	3.107	0	50	BGAA	
COc1cccc(Cl)c1-c1c[nH]c(C)n1	65417454	IGWUPGQZVCKZTN-UHFFFAOYSA-N	222.675	3.047	0	50	BGAA	
Cc1c[nH]c2cccc(Br)c12	72194624	HQYNWUZMWCHKGJ-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
CC(=O)c1c(Cl)cccc1Br	95931654	AFNSLBORZPEBRN-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
O=C(O)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	256168131	IOZRVTUKBUOZNP-ZNRZSNADSA-N	220.312	3.400	0	50	BGAA	in-vitro
Oc1cc(OC(F)F)c(Cl)cc1Cl	263624959	VOUNTVDNFJRWEG-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
COC(=O)/C=C1/CCCc2ccc(Cl)cc21	757191598	JCXVXBCNFNJNNU-YFHOEESVSA-N	236.698	3.233	0	50	BGAA	
CN1C=CC=CC1=C(N=O)c1ccccc1	1857525273	UEGDFEOJFJHFHQ-UHFFFAOYSA-N	212.252	3.137	0	50	BGAA	
Cc1ccc2c(c1)c1c(n2C)C(=O)CCC1	50814	HUCYGURJOMKPRS-UHFFFAOYSA-N	213.280	3.006	0	50	BGAA	biogenic
NC[C@H](c1ccccc1)c1c[nH]c2ccccc12	110236	HEBVBIGUNHPPLF-CQSZACIVSA-N	236.318	3.259	0	50	BGAA	
Fc1ccc(-c2cn3ccccc3n2)cc1	151524	PNOFVTHZVLYOFR-UHFFFAOYSA-N	212.227	3.140	0	50	BGAA	in-vitro
O=C(Nc1ccc2ccccc2c1)c1ccncc1	188352	NOHHYSDCQLSFEJ-UHFFFAOYSA-N	248.285	3.487	0	50	BGAA	
CCCN(CCC)C(=O)NC1CCCCC1	396363	MYGQFTHNBDDOOK-UHFFFAOYSA-N	226.364	3.151	0	50	BGAA	
CCCc1cc(-c2n[nH]c(=S)n2C)cs1	2569129	DFYDAAZTFNFVLW-UHFFFAOYSA-N	239.369	3.159	0	50	BGAA	
Clc1ccc([C@@H]2CCCN2)c(Cl)c1	2582601	WCTZJESQSBXRJL-JTQLQIEISA-N	216.111	3.418	0	50	BGAA	in-vitro
COc1ccc(CN[C@@H]2CCCC[C@@H]2C)cc1	4891834	DZPPROGWUHIKBN-SWLSCSKDSA-N	233.355	3.364	0	50	BGAA	
Cc1ccc(C(=O)NCCC2=CCCCC2)o1	6278923	WSEBUKHTUWACJP-UHFFFAOYSA-N	233.311	3.208	0	50	BGAA	
CC(C)(C)c1cccc(OCCn2ccnc2)c1	12381765	ZEDGHFRKLFYGQA-UHFFFAOYSA-N	244.338	3.260	0	50	BGAA	
Oc1c(Br)cccc1C(F)(F)F	34343594	IIBWBAUXZPOXIZ-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	
Fc1cc(Br)ccc1OC(F)F	34627572	DOMDQZCKLBEOTD-UHFFFAOYSA-N	241.006	3.190	0	50	BGAA	in-vitro
CCc1cc(OC)ccc1Br	39218667	OJGXNQVFIXZTSA-UHFFFAOYSA-N	215.090	3.020	0	50	BGAA	in-vitro
Cc1cc(S)cc(F)c1Br	67802770	ASMGIYYZZFVVNQ-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
CC1(C)C[C@@]2(C)CC=C[C@]23[C@@H]1C=C[C@@]3(C)O	71786162	XXZDMCQDPKQKSW-NGFQHRJXSA-N	218.340	3.306	0	50	BGAA	
Fc1ccc(C(F)(F)F)cc1[C@H]1CCCN1	72202529	YHLUXUCPXSFYJZ-SNVBAGLBSA-N	233.208	3.269	0	50	BGAA	
O=C1CCCc2c(Br)cc(F)cc21	77024712	DFSSIANNMNXABV-UHFFFAOYSA-N	243.075	3.107	0	50	BGAA	
CN(CCCOc1ccccc1)C(C)(C)C	96026975	IDGAFBZNNOFITL-UHFFFAOYSA-N	221.344	3.186	0	50	BGAA	
CCCC[Sn](=O)CCCC	169743061	JGFBRKRYDCGYKD-UHFFFAOYSA-N	248.942	3.009	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@H]1C(C)(C)C	239412571	SWJCUHSGJNXCLQ-XQHKEYJVSA-N	237.387	3.364	0	50	BGAA	
NCc1c(Cl)ccc(Cl)c1OC(F)F	263623871	LLEYKZPXIVCTPY-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
c1ccc2c(c1)[nH]c1cnn([C@@H]3CCCCO3)c12	616582556	ALHUCTNQUKJTLS-ZDUSSCGKSA-N	241.294	3.217	0	50	BGAA	
Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1	2226	FMHHVULEAZTJMA-UHFFFAOYSA-N	228.247	3.464	0	50	BGAA	biogenic,world
CCOc1cc2c(cc1OC)C=CC(C)(C)O2	56540	RFJPSAYWKBGVAW-UHFFFAOYSA-N	234.295	3.278	0	50	BGAA	in-vitro
C[C@@H]1CCc2c(sc3[nH]cnc(=S)c23)C1	142879	RBWNDBNSJFCLBZ-ZCFIWIBFSA-N	236.365	3.479	0	50	BGAA	
COC(=O)c1cc2c(s1)-c1ccccc1CC2	167679	UYQCQEAAPIETRL-UHFFFAOYSA-N	244.315	3.300	0	50	BGAA	
O=C(c1ccc2ccccc2c1)N1CCCC1	298964	VDAYRZNQLUXFBQ-UHFFFAOYSA-N	225.291	3.076	0	50	BGAA	
Cc1ccc(C(=O)NCc2ccc(Cl)cc2)o1	375962	WNTCSPJZEDJVIQ-UHFFFAOYSA-N	249.697	3.171	0	50	BGAA	
CCN(CC)CCC[C@H](C)NCc1ccccc1	1671893	GDJJNFBDGFNYMO-HNNXBMFYSA-N	248.414	3.287	0	50	BGAA	
O=C(O)CCCOc1c(Cl)cccc1Cl	4105126	WJYHXANOKSWCLH-UHFFFAOYSA-N	249.093	3.237	0	50	BGAA	
COc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1	38068174	JZYYQOALFPOLPB-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
C[C@@H]1[C@@H](C)C1(Cl)[S@@](=O)c1ccccc1	169724571	DRPZLGXYIYMOSV-NUPCCRGMSA-N	228.744	3.015	0	50	BGAA	
C[C@H]1C[C@H](CC(=O)NCC2CC2)CC(C)(C)C1	170620609	XVWRPOIUPVWGRC-WCQYABFASA-N	237.387	3.365	0	50	BGAA	
C1=C[C@H]2O[C@H]1c1cc3c(cc12)[C@H]1C=C[C@H]3O1	230070149	KGWFDDIOZVPOTL-AAVRWANBSA-N	210.232	3.051	0	50	BGAA	
CC(=O)Nc1cccc(NC(C)(C)C(C)C)c1	257373334	WTBAIMSDLDDWSB-UHFFFAOYSA-N	234.343	3.492	0	50	BGAA	
CC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccn1	294412241	QCVDTXMYJBUYJC-XQQFMLRXSA-N	246.354	3.085	0	50	BGAA	
O=C1N[C@H](c2ccccc2)C12CCCCCC2	310216839	VZHLWGIUWBEZQQ-CYBMUJFWSA-N	229.323	3.198	0	50	BGAA	
CC[C@H](C)Cc1nc(-c2ncoc2C(C)C)n[nH]1	822620032	NYFKJIWSFTYXJK-VIFPVBQESA-N	248.330	3.172	0	50	BGAA	
CCCC1CCC(NC[C@@H]2CC(C)=NO2)CC1	895309289	SOTKEYFGKGCQRX-RUXDESIVSA-N	238.375	3.100	0	50	BGAA	
OC[C@H]1CCC[C@@H](n2ccnc2C2CCCC2)C1	1857741121	DFXRTCYAUBORFB-GXTWGEPZSA-N	248.370	3.264	0	50	BGAA	
COc1ccc(OC)c(CNc2ccccc2)c1	263402	OOYKASSHMCKBLP-UHFFFAOYSA-N	243.306	3.316	0	50	BGAA	
Cc1ccc2cc(C(=O)O)c(Cl)nc2c1C	422516	XPJKMZUUGBJFKA-UHFFFAOYSA-N	235.670	3.203	0	50	BGAA	
Cn1cc([C@@H](O)C(F)(F)Cl)c2ccccc21	1399179	QLSSCVGNLZEJLF-SNVBAGLBSA-N	245.656	3.043	0	50	BGAA	
OCCC(c1ccccc1)c1ccccc1	1621011	IDCXQMVSIIJUEH-UHFFFAOYSA-N	212.292	3.201	0	50	BGAA	in-vitro
CC(C)CCNC(=O)CCCOc1ccccc1	2743457	PXQCAZREGQKQBA-UHFFFAOYSA-N	249.354	3.008	0	50	BGAA	
CNCc1ccc(OCc2ccc(C)cc2)cc1	6743811	FQBHCFHUQVNFQZ-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	
Nc1ccc(-c2ccc3ccccc3n2)cc1	12957780	PWLMSCCFNGGPGM-UHFFFAOYSA-N	220.275	3.484	0	50	BGAA	
Brc1ccccc1CN1CCCC1	22863062	HDIGDQKZWCNWPI-UHFFFAOYSA-N	240.144	3.045	0	50	BGAA	in-vitro
NC(=O)c1ccccc1-c1ccc(F)cc1Cl	67833528	XYBWDBISQDWOAP-UHFFFAOYSA-N	249.672	3.245	0	50	BGAA	
COC(=O)c1cc(-c2ccccc2)ccc1F	75914928	JOMNTLQXOPTUPH-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
Cc1cc(N2CCC[C@@H]2c2cccnc2)ccn1	335838607	PBQKPIUPXWMRRY-OAHLLOKOSA-N	239.322	3.127	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1CCC[C@H](C)N1	757207506	BPRRWQXLTRZERM-GWCFXTLKSA-N	229.327	3.074	0	50	BGAA	
Cc1ccccc1C(=O)N[C@H](C)c1ccccc1	46453	FGJJSSFDJWWUNG-CYBMUJFWSA-N	239.318	3.486	0	50	BGAA	
COc1ccc(-c2csc(C)n2)cc1	248727	OVKCVKLSCKKRJY-UHFFFAOYSA-N	205.282	3.127	0	50	BGAA	in-vitro
Cc1ccccc1NC(=S)N1CCCCC1	459940	ZTZNFZCZSMMQQI-UHFFFAOYSA-N	234.368	3.178	0	50	BGAA	
CCc1cccc(NC(=O)/C=C/c2ccco2)c1	476791	JBUCZVSUAXOYPW-CMDGGOBGSA-N	241.290	3.494	0	50	BGAA	
CC[C@@H](NC(=O)c1ccoc1C)c1ccccc1	1002006	MDPYZTKLYAXSCN-CQSZACIVSA-N	243.306	3.469	0	50	BGAA	
Cc1ccc(Sc2ccc(C=O)cn2)cc1	1392274	MOXXJTNUXDALFN-UHFFFAOYSA-N	229.304	3.354	0	50	BGAA	
C[C@@H](N)c1ccc(OCc2ccccc2)cc1	3705527	QMDCQFSPDUEVRF-GFCCVEGCSA-N	227.307	3.285	0	50	BGAA	
FC(F)(F)c1cc(Cl)cnc1Cl	16159396	CZVBTOGZRGRJSC-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
CCOc1ccc(C(=O)NC2CCCC2)cc1C	22250581	QBWNYYJLCZKGRH-UHFFFAOYSA-N	247.338	3.066	0	50	BGAA	
c1ccc(COc2cccc3cn[nH]c23)cc1	40641090	KRBMFSBSKPMBKX-UHFFFAOYSA-N	224.263	3.142	0	50	BGAA	
Cc1c[nH]c2cc(Br)ccc12	66054638	LJFVGMUBSYLFLX-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
Cc1ccc(Cl)nc1NC(=O)OC(C)(C)C	90636201	XLKOZEMAPJGWBA-UHFFFAOYSA-N	242.706	3.390	0	50	BGAA	
Oc1ccc2c(c1)C[C@@H]1CCCC[C@@H]1C2	238706610	QSXZTSVXLUCUEB-MNOVXSKESA-N	202.297	3.297	0	50	BGAA	
COc1ccc(OC)c(-c2cc(C)ncc2C)c1	952987926	MFNAHRISQJJJHK-UHFFFAOYSA-N	243.306	3.383	0	50	BGAA	
Cc1cccc(-c2nc3ccccn3c2C=O)c1	1527034	HIBAKIZZLKLYDZ-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	
CCCCNC(=O)CCCOc1ccccc1C	1772467	NAHMSAMMXXLFKI-UHFFFAOYSA-N	249.354	3.070	0	50	BGAA	
CCOC(=O)/C=C/c1cccc(C(F)(F)F)c1	2386334	RAEFFHZPTOFBED-VOTSOKGWSA-N	244.212	3.282	0	50	BGAA	
CCC(=O)c1cccc(C(F)(F)F)c1	2579117	UBTPNKXHYILGJU-UHFFFAOYSA-N	202.175	3.298	0	50	BGAA	in-vitro
Cc1cc(N)n([C@H](C)c2ccccc2Cl)n1	4575277	LFNXMAPWHMZXQK-SECBINFHSA-N	235.718	3.036	0	50	BGAA	
COc1ccc(CCN[C@@H]2CCC[C@@H](C)C2)cc1	4989418	SBEGRBHIEYEKSK-UKRRQHHQSA-N	247.382	3.406	0	50	BGAA	
Cn1nc(-c2ccccc2)nc1-c1ccccc1	5424379	TWAVESNVRDYFLI-UHFFFAOYSA-N	235.290	3.149	0	50	BGAA	
Oc1c(Cl)cc(C(F)(F)F)nc1Cl	47218581	NKBACTBTJREWJT-UHFFFAOYSA-N	231.988	3.113	0	50	BGAA	
CC(C)(C)Sc1ccc(C(=O)O)cc1	50913586	LCECZYVHSXADNP-UHFFFAOYSA-N	210.298	3.275	0	50	BGAA	
CC(=O)O[C@H]1C=C[C@]23CC[C@@H](C)[C@@H]2CC[C@@]13C	104300749	JDTUOLDWYDXGNR-QPGZIWCOSA-N	234.339	3.321	0	50	BGAA	
CC(=O)N1c2ccccc2[C@@H](C)CC1(C)C	36975	DICCKTLYSLKYNN-JTQLQIEISA-N	217.312	3.325	0	50	BGAA	
Cc1cc(C)nc(NC(=O)c2ccc(F)cc2)c1	290664	GONJQOWRGRTYBU-UHFFFAOYSA-N	244.269	3.090	0	50	BGAA	
CCOC(=O)c1cccc2ccccc12	394909	XCTLDQQOHIEUCJ-UHFFFAOYSA-N	200.237	3.017	0	50	BGAA	in-vitro
CC[C@@H](C)NC(=O)[C@@H](C)Sc1ccccc1	450077	WLVDRMQRKPXISS-GHMZBOCLSA-N	237.368	3.082	0	50	BGAA	
O=C(O)c1c(Cl)ccc(Cl)c1Cl	1849975	XZIDTOHMJBOSOX-UHFFFAOYSA-N	225.458	3.345	0	50	BGAA	in-vitro
O=C(c1ccccc1)c1ccc(Cl)cc1O	2002759	JYFJHKRWGLEWKH-UHFFFAOYSA-N	232.666	3.277	0	50	BGAA	
Cc1cc(=O)oc2cc3c(cc12)CCC(C)(C)O3	2128017	UYWBIHHNIMDFDF-UHFFFAOYSA-N	244.290	3.205	0	50	BGAA	biogenic
Nc1nc(-c2ccc(F)c(Cl)c2)cs1	2574043	LOILNLAYTYETKO-UHFFFAOYSA-N	228.679	3.185	0	50	BGAA	in-vitro
CCCCn1c(Cc2ccccc2)n[nH]c1=S	4476417	OCDFGWHAKIHFQG-UHFFFAOYSA-N	247.367	3.332	0	50	BGAA	
CCOc1ccccc1-c1ccc(C=O)o1	4541835	RFVPUMSXKRRFNK-UHFFFAOYSA-N	216.236	3.158	0	50	BGAA	
OCCc1cccc(-c2cccc(F)c2)c1	15441026	FMHKJMVEPWSTOD-UHFFFAOYSA-N	216.255	3.028	0	50	BGAA	in-vitro
CC(=O)Nc1cccc(-c2ccc(Cl)cn2)c1	32516118	LILFEBLNZMGMJS-UHFFFAOYSA-N	246.697	3.360	0	50	BGAA	
CC(C)(C)C(=O)c1ccc2c(c1)CCC2	34976886	MUYOJOIWSYEDFJ-UHFFFAOYSA-N	202.297	3.404	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1ccc(Cl)cc1N	62498351	RAAXZOKVGWKKCP-UHFFFAOYSA-N	242.706	3.269	0	50	BGAA	
CS[C@H](C)Cc1[nH]cnc1-c1ccccc1	65407093	WXJOBUKEYYCZBT-SNVBAGLBSA-N	232.352	3.371	0	50	BGAA	
CCCCn1nc(C)nc1-c1cccn1C1CC1	822888859	MPRJNSHRWDCLSD-UHFFFAOYSA-N	244.342	3.190	0	50	BGAA	
CC[C@@H](NC(=O)C12CC1C2)c1ccc(Cl)cc1	2325897621	AUBMWECAWBJGEN-KSGYAGIASA-N	249.741	3.317	0	50	BGAA	
CC(C)(C)Nc1nccc2ccccc12	406438	WSMNACNTKDUJAD-UHFFFAOYSA-N	200.285	3.445	0	50	BGAA	
Cc1cc(=O)cc(C)n1-c1ccc(Cl)cc1	441173	IETDYLXEBHMGCA-UHFFFAOYSA-N	233.698	3.108	0	50	BGAA	
Cc1ccc(C=O)cc1OCc1ccccc1	2382861	FKUDZOTZLOZAII-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	
O=C(CCc1ccccc1)Nc1ccccc1	3159928	OVWGAGKOPGNUGC-UHFFFAOYSA-N	225.291	3.258	0	50	BGAA	biogenic
O[C@@H]1C[C@H](c2ccccc2)OC12CCCCC2	4006078	IUFAYZPJUHEQNQ-ZIAGYGMSSA-N	232.323	3.212	0	50	BGAA	
CCOc1ccccc1CNC1CCCC1	5907037	DQFPACWSBFLSDG-UHFFFAOYSA-N	219.328	3.118	0	50	BGAA	
FC(F)(F)c1cccc(C[C@H]2CCCCN2)c1	32099157	ZPZRBRRCSKRQFL-GFCCVEGCSA-N	243.272	3.390	0	50	BGAA	
CCC[C@@]1(c2ccccc2)CCN(C)C1	33868505	KIOMVBQNULLWJJ-CQSZACIVSA-N	203.329	3.060	0	50	BGAA	
C1=C[C@]23C=C[C@]2(C=C1)Cc1ccccc1C3	101037724	DMKOUSPOSKNGHP-HZPDHXFCSA-N	206.288	3.454	0	50	BGAA	
Oc1cc(F)cc(F)c1OCc1ccccc1	261493662	GRWYIELKIZBZNC-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
C/C(=C(/F)c1nc(-c2ccncc2)no1)C1CC1	1616038175	XGUAGPFAWOWDEP-FLIBITNWSA-N	245.257	3.242	0	50	BGAA	
CC(C)(C)NC(=S)Nc1ccc(Cl)cc1	469079	SNHYNZONNCQVJO-UHFFFAOYSA-N	242.775	3.425	0	50	BGAA	
Cc1ccc(Nc2ncccc2C(=O)O)cc1C	930771	CDVPFUBDXWHKSU-UHFFFAOYSA-N	242.278	3.140	0	50	BGAA	
Cc1cc(C(=O)N2CCCCCC2)cs1	1056042	GBOIEYYEDJEIJU-UHFFFAOYSA-N	223.341	3.073	0	50	BGAA	
Fc1cccc(-c2nc3ncccc3o2)c1	4413672	RBEPNNCIUSQQRO-UHFFFAOYSA-N	214.199	3.029	0	50	BGAA	
Cc1ccc(C(=O)N2CCc3ccccc32)s1	9513442	VSWFRMBTLFIXTG-UHFFFAOYSA-N	243.331	3.259	0	50	BGAA	
CN(Cc1cccnc1)C[C@H]1CC12CCCC2	19841300	HLUSIVDWSUWUFF-CQSZACIVSA-N	230.355	3.094	0	50	BGAA	
C[C@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1	33465773	WVQNHLVEDPIIRS-VIFPVBQESA-N	236.315	3.053	0	50	BGAA	
C=Cc1ccc(Br)cc1F	71790221	UTDQHQCPWHTKLM-UHFFFAOYSA-N	201.038	3.231	0	50	BGAA	in-vitro
COCc1[nH]nc(C)c1-c1cccc(Cl)c1	96148101	RGVIAPAMSRFGGD-UHFFFAOYSA-N	236.702	3.185	0	50	BGAA	
c1cc(CNc2ccc3c(c2)CCC3)ccn1	279647	KNRXTGNJGMNAQQ-UHFFFAOYSA-N	224.307	3.182	0	50	BGAA	
Cc1ccccc1NC(=S)c1ccccn1	298811	WSUCMIQPNCUDRN-UHFFFAOYSA-N	228.320	3.178	0	50	BGAA	
Fc1ccc(C[n+]2csc3ccccc32)cc1	300427	WQMIMIXOBZOMJP-UHFFFAOYSA-N	244.314	3.376	0	50	BGAA	
Cc1cccc(NC(=O)CC2CCC2)c1	2873718	BNWWOYIUAJLUDM-UHFFFAOYSA-N	203.285	3.124	0	50	BGAA	
Clc1ccc(Cn2ccnc2)cc1Cl	4385934	AYZFQKPOALRPNQ-UHFFFAOYSA-N	227.094	3.238	0	50	BGAA	in-vivo
O=C(NC1CCCC1)c1cccc(Cl)c1	4666138	MHUFSDHPLBNCLY-UHFFFAOYSA-N	223.703	3.012	0	50	BGAA	
COc1cc(CN2CCCCCC2)cc(OC)c1	4947612	BWHXTKAXAJSFNS-UHFFFAOYSA-N	249.354	3.080	0	50	BGAA	
CCc1cnccc1C1CCSCC1	8701093	GEGQIWZHEJBIFH-UHFFFAOYSA-N	207.342	3.255	0	50	BGAA	
CCOc1ccc(Cl)cc1CNC(C)C	10436065	OEBKMUISNTZSIB-UHFFFAOYSA-N	227.735	3.237	0	50	BGAA	
Cc1ccc(-c2nc(-c3ccc(F)cc3)no2)o1	263622955	CJSPADGDFFQHBL-UHFFFAOYSA-N	244.225	3.444	0	50	BGAA	
CN(Cc1cccnc1)[C@@H]1CCC(C)(C)C1	336047512	ZICDHBOMLPJPMP-CYBMUJFWSA-N	218.344	3.092	0	50	BGAA	
Cc1sc2ncnc(OC(C)C)c2c1C	1227078624	FAAFFPIGPNIXTF-UHFFFAOYSA-N	222.313	3.095	0	50	BGAA	
COc1cnccc1-c1cnc2ccccc2c1	1239792986	BHGBKYRHKSXKQC-UHFFFAOYSA-N	236.274	3.305	0	50	BGAA	
Cc1cncc(NC(=O)C23CCCC2CCC3)c1	1875280579	XYLIBKINHLMISZ-UHFFFAOYSA-N	244.338	3.299	0	50	BGAA	
COc1ccc(-c2cc3nccsc-3n2)cc1	389433	PUYDJKXXOSBSKV-UHFFFAOYSA-N	242.303	3.319	0	50	BGAA	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1	407532	RETFJFAJKJBJAY-OCCSQVGLSA-N	231.339	3.304	0	50	BGAA	
C[C@H]1CCCCN1C(=O)/C=C/c1ccccc1	450049	JLERSZGAPSNZTO-NHAQELONSA-N	229.323	3.101	0	50	BGAA	
CC(C)C(=O)Nc1cccc(Br)c1	1016956	NKBABBOSWOTEAD-UHFFFAOYSA-N	242.116	3.044	0	50	BGAA	
O=C(c1ccccn1)[C@@H]1C[C@@H]1c1ccccc1	1382880	XCYVNFLTONVXSP-CHWSQXEVSA-N	223.275	3.068	0	50	BGAA	
COc1ccc(CCNCc2ccsc2)cc1	4942910	JCINDQROGOWETK-UHFFFAOYSA-N	247.363	3.089	0	50	BGAA	
CCCCn1c(=S)[nH]c2ccccc21	4953557	OVTQTPRJINYNIY-UHFFFAOYSA-N	206.314	3.499	0	50	BGAA	in-vitro
Clc1ncnc2sc(Br)cc12	30678411	CMIXHHOZGMSYKN-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
CCCn1cc(C=O)c2ccc(C)cc21	34925329	VHZGEDGRIIXDNU-UHFFFAOYSA-N	201.269	3.172	0	50	BGAA	
Cc1ccccc1/C=C/C=C/CC[C@@H](O)CCO	2332918178	LWAURHRFBFLFCE-VELUMQQFSA-N	246.350	3.088	0	50	BGAA	
CCN(C(=O)Cc1ccccc1)C1CCCCC1	216469	VMLMUFRYFZUTOV-UHFFFAOYSA-N	245.366	3.410	0	50	BGAA	
Cc1cccc(NC(=O)C2CCCC2)c1	383509	UKLIDCZVVSZTGM-UHFFFAOYSA-N	203.285	3.124	0	50	BGAA	
O=C(O)[C@H](OCc1ccccc1)c1ccccc1	392263	BGTPJDGURCMYML-CQSZACIVSA-N	242.274	3.029	0	50	BGAA	biogenic
Cc1ccc(Br)c(Cl)c1	1690004	SDTULEXOSNNGAW-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	in-vitro
CCCCCNCc1nnc(-c2ccccc2)o1	2534281	WKGMUFSOCSNUOH-UHFFFAOYSA-N	245.326	3.016	0	50	BGAA	
CC(C)c1nc(Br)cs1	4198746	MIHUGKROHGQVQY-UHFFFAOYSA-N	206.108	3.029	0	50	BGAA	in-vitro
C[C@@H](CCCC(C)(C)O)N[C@H]1CCC[C@@H](C)C1	4989435	MIKSTOQTQHEXAR-RDBSUJKOSA-N	241.419	3.484	0	50	BGAA	
CCCCNCc1ccccc1Br	5973589	KZVDERULQMGZSD-UHFFFAOYSA-N	242.160	3.339	0	50	BGAA	
COc1cc(NC[C@H]2CC=CCC2)cc(OC)c1	20088473	YNRNECNTOSVIQS-LBPRGKRZSA-N	247.338	3.472	0	50	BGAA	
CCc1ccc(/C=C(\C)CC(=O)O)cc1	25724516	PMKQJAPMYGLRIV-CSKARUKUSA-N	204.269	3.127	0	50	BGAA	
C[C@]1(c2ccccc2)CCC=C(C(=O)O)C1	43198966	BHHHHWHLPNWTEJ-AWEZNQCLSA-N	216.280	3.139	0	50	BGAA	
Clc1cncc(Br)c1Cl	82049868	YPRODAZVOKKURG-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
CC(C)C[C@H](C(=O)c1ccccc1)N1CCCC1	95931908	UOZWZANRCOALQL-OAHLLOKOSA-N	245.366	3.380	0	50	BGAA	in-vitro
Cc1c(Br)ccc2c1NCCC2	201527863	YVVCAURLZVWYQJ-UHFFFAOYSA-N	226.117	3.116	0	50	BGAA	
CCc1cccc(SCc2cc[nH]n2)c1	1875273601	QFFHCAXZMKBPBQ-UHFFFAOYSA-N	218.325	3.264	0	50	BGAA	
CCc1ccccc1NC(=O)c1ccc(O)cc1	131988	RCVKVKYKVYUUFH-UHFFFAOYSA-N	241.290	3.207	0	50	BGAA	
O=C(Nc1nccs1)c1ccccc1Cl	138812	WOKRBYNSYAVRFR-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(OC)cc1	373298	WAIGVHVKQCMLCB-JTQLQIEISA-N	221.300	3.070	0	50	BGAA	
Cc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1	2362499	CDOULOFQWPXBSH-LBPRGKRZSA-N	232.327	3.401	0	50	BGAA	
C[C@H](N)C(F)(c1ccccc1)c1ccccc1	2506629	FFNWFJOGQBZZQZ-LBPRGKRZSA-N	229.298	3.247	0	50	BGAA	
COC(=O)c1ccccc1Oc1ccccc1	2598108	PUGYLBSXMKBSRP-UHFFFAOYSA-N	228.247	3.266	0	50	BGAA	biogenic
CCCCNC(=O)c1c(C)cc(C)cc1C	6742258	BBRVJPGWKOEWLM-UHFFFAOYSA-N	219.328	3.142	0	50	BGAA	
CCCCCCOc1cc(C=O)ccc1OC	11885075	QVLAIXLDIIDEJW-UHFFFAOYSA-N	236.311	3.467	0	50	BGAA	
CC(C)(C)c1ccccc1NC(=O)[C@@H]1CCCO1	12381766	CTVLOFGNSKERSQ-ZDUSSCGKSA-N	247.338	3.102	0	50	BGAA	
CN(C(=O)/C=C/c1ccccc1)C1CCCCC1	12404070	AXTKMKUJCKDNBD-OUKQBFOZSA-N	243.350	3.491	0	50	BGAA	
CCCc1cc(C(=O)N2CCCCC2)cs1	16579995	BHTDQTFRTHGHON-UHFFFAOYSA-N	237.368	3.327	0	50	BGAA	
Oc1ccc(-c2cc(F)cc(F)c2)cc1F	65340829	OAAFYLDTBQUEPF-UHFFFAOYSA-N	224.181	3.477	0	50	BGAA	
O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2	101565767	IDFUIUBXUVJXME-KWBADKCTSA-N	233.286	3.200	0	50	BGAA	
O=C1CCCc2c(F)cc(Br)cc21	141968280	ADWRVJDWLNIINO-UHFFFAOYSA-N	243.075	3.107	0	50	BGAA	
CCCCN1C[C@@H]2CC=C(Cl)C[C@H]2C1	239386654	PVRVHWLEIQVCSY-QWRGUYRKSA-N	213.752	3.251	0	50	BGAA	
Cc1nc2cc(-c3cccnc3O)ccc2s1	1241112256	IATWPFZUWJFYDD-UHFFFAOYSA-N	242.303	3.372	0	50	BGAA	
COc1ccc(SCCc2ccncc2)cc1	231802	IUWQYMDPRUPDGB-UHFFFAOYSA-N	245.347	3.425	0	50	BGAA	in-vitro
Cc1ccc(O)c(Cc2cc(C)ccc2O)c1	402047	XZXYQEHISUMZAT-UHFFFAOYSA-N	228.291	3.305	0	50	BGAA	in-vitro
CCC[C@@H](C)COC(=O)c1ccccc1	2522815	OUNXTLNEKZMJFY-LLVKDONJSA-N	206.285	3.280	0	50	BGAA	
Cc1ccc2oc(C(=O)NC3CCCC3)cc2c1	12274833	MPSMYNHHVACDKD-UHFFFAOYSA-N	243.306	3.414	0	50	BGAA	
Cc1ccc(NC(=O)C2=CCCCC2)cc1	38857007	HHDLWOXVNMACCF-UHFFFAOYSA-N	215.296	3.434	0	50	BGAA	
CC[C@H]1[C@H](C)CCN1C(=O)CC1CCCC1	170598946	XNBQZIUNBICIGC-YPMHNXCESA-N	223.360	3.214	0	50	BGAA	
c1csc(-c2ncc(-c3ccn[nH]3)s2)c1	221621301	BUCLGEACPAIOAU-UHFFFAOYSA-N	233.321	3.262	0	50	BGAA	
NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1	226256150	CLIDPPRRVXCSRE-FNORWQNLSA-N	247.681	3.099	0	50	BGAA	
CCc1ccc(CN[C@@H]2CC[C@@H]2C)s1	308472962	CLWUVWFZHZQQHW-JOYOIKCWSA-N	209.358	3.199	0	50	BGAA	
Nc1cncc(-c2ccc(F)c3cccnc23)c1	426478081	UWJGVIHUVJCMEK-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
Cc1nc(-c2ccncc2)c2ccsc2n1	426515530	MIHFGCNHNMKDJM-UHFFFAOYSA-N	227.292	3.062	0	50	BGAA	
CCN(CC)C(=O)Nc1ccc(Cl)cc1	284696	IYKHIHBKAAEUDQ-UHFFFAOYSA-N	226.707	3.214	0	50	BGAA	
C[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccccc1	387762	QURMOGAHPSNBBS-SWLSCSKDSA-N	237.302	3.411	0	50	BGAA	biogenic
CCOP(=O)(Nc1ccccc1)OCC	1733844	GESBKELMKMNZLZ-UHFFFAOYSA-N	229.216	3.280	0	50	BGAA	in-vitro
CN(C)CCN(c1ccccc1)c1ccccc1	2011464	BVSCXLNOACOCHU-UHFFFAOYSA-N	240.350	3.386	0	50	BGAA	
Cc1ccc(-c2cnn(-c3ccccc3)c2N)cc1	2508445	XCSGRLQWUNQAAL-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
C[C@@H](CNC1CCCC1)c1ccccc1	4695098	CURGVIKWEJTIFQ-LBPRGKRZSA-N	203.329	3.322	0	50	BGAA	
O=C(Nc1ccc(F)c(F)c1)C1CCCC1	5670784	DXSHPUWJHFHORP-UHFFFAOYSA-N	225.238	3.094	0	50	BGAA	
C[C@H]1CC[C@@H](C)C[C@@H]1CCCCS(=O)(=O)O	19878124	SMHOOPJVGBBTGZ-WOPDTQHZSA-N	248.388	3.117	0	50	BGAA	
Nc1[nH]nc2ccc(/C=C/c3ccccc3)cc12	67674511	IJNLLIMKRHLJAI-VOTSOKGWSA-N	235.290	3.316	0	50	BGAA	
COC(=O)c1cc(Cl)c(Cl)cc1Cl	82725110	DTSDGFWJQFTIGN-UHFFFAOYSA-N	239.485	3.433	0	50	BGAA	
C[C@H]1C[C@@H](C)N(C)C(C)(C)[C@]1(O)c1ccccc1	96026968	NYYYKYZRBDJDOM-WOSRLPQWSA-N	247.382	3.013	0	50	BGAA	
Fc1ccc(Cl)cc1O[C@@H]1CCCCO1	261494524	ZSYFDGHOPIUZED-LLVKDONJSA-N	230.666	3.385	0	50	BGAA	
C[C@H]1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	585124276	KLFSZANXUKIBLY-WCQYABFASA-N	227.311	3.306	0	50	BGAA	
CC[C@@H](OC)C(=O)Nc1ccc2oc(C)cc2c1	952984254	JVMFRKBOCBCTLE-GFCCVEGCSA-N	247.294	3.105	0	50	BGAA	
Nc1ccc2oc(-c3ccccc3F)nc2c1	154833	MHKZGGXTFFGCGC-UHFFFAOYSA-N	228.226	3.216	0	50	BGAA	
CC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	3134441	CIJAAXYQLAJGGN-ZETCQYMHSA-N	233.094	3.350	0	50	BGAA	
CCOc1ccc(NC(=O)N[C@@H](C)CC)cc1	6742555	AXLAZAFBFRWKPT-JTQLQIEISA-N	236.315	3.005	0	50	BGAA	
C[C@@H](NC(=O)C1CCCCC1)C(C)(C)C	12381093	KIWJCDAGIWTVNN-SNVBAGLBSA-N	211.349	3.118	0	50	BGAA	
Cc1ccc2nc(C)cc(NC(=O)C(C)C)c2c1	16647974	YTWSGZMASKSCHS-UHFFFAOYSA-N	242.322	3.446	0	50	BGAA	
Fc1cc2ccncc2cc1Br	66055166	ABZAYLFRWGIRDU-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
O=C1Nc2cc(Cl)ccc2Cc2ccccc21	71774238	ZBXZQMYVVMTDNC-UHFFFAOYSA-N	243.693	3.497	0	50	BGAA	
C[C@H](NC(=O)C1[C@H]2CCCC[C@H]12)c1ccccc1	100289534	BWSJVURPHFFHSN-UBHSHLNASA-N	243.350	3.300	0	50	BGAA	
COC1=N[C@]2(C)C(C)=C(C)[C@]3(C)[C@@]1(C)[C@@]32C	216352540	YCQKYUSVJJMVNR-XJFOESAGSA-N	219.328	3.186	0	50	BGAA	
NCc1cc(Cl)c(OC(F)F)cc1Cl	263623277	GECIQCOOIGWIFR-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
COc1ccc(-c2cnc(OC)c(Cl)c2)cc1	328578348	INMPAFRJLIEIMF-UHFFFAOYSA-N	249.697	3.419	0	50	BGAA	
Cc1ccc(-c2ncccn2)c(Br)c1	328578438	LLJPETBSNOGHSA-UHFFFAOYSA-N	249.111	3.215	0	50	BGAA	
CCC(C)(CC)c1noc(-c2cccnc2)n1	1616039168	WZUQSPBRLSNSIT-UHFFFAOYSA-N	231.299	3.209	0	50	BGAA	
CCC(=O)c1cc(Br)c(C)s1	334286	OQIKLCZYSIVMJR-UHFFFAOYSA-N	233.130	3.412	0	50	BGAA	
CCc1sc(NC(C)=O)nc1-c1ccccc1	466456	IJLXJHPYXFJFGG-UHFFFAOYSA-N	246.335	3.331	0	50	BGAA	
CCN(CC)C(=S)Nc1ccccc1Cl	1152636	XYQIJUQRCWMZEV-UHFFFAOYSA-N	242.775	3.379	0	50	BGAA	
S=C(Nc1ccccc1)Nc1ccccc1	3874019	FCSHMCFRCYZTRQ-UHFFFAOYSA-N	228.320	3.496	0	50	BGAA	biogenic,in-vitro
OC1(C(Cl)(Cl)Cl)CCCCC1	4578990	PBYPBMHUTLMVRS-UHFFFAOYSA-N	217.523	3.052	0	50	BGAA	
CC[C@H](C)NC(=O)c1ccc(OC(C)C)cc1	8570296	YOPGIKXTLLLSNK-NSHDSACASA-N	235.327	3.002	0	50	BGAA	
Nc1cc(Cl)c(F)c(C(F)(F)F)c1	22001450	KAHNTLCBWGVHDY-UHFFFAOYSA-N	213.561	3.080	0	50	BGAA	in-vitro
CC(C)COc1ccc(N)cc1Br	43597622	WZKULKPCOFGZRB-UHFFFAOYSA-N	244.132	3.066	0	50	BGAA	
CSc1nc(Cl)c2ccsc2n1	43828347	MPSIJWLMMVUKGB-UHFFFAOYSA-N	216.718	3.067	0	50	BGAA	in-vitro
Clc1ccnc(Cl)c1Br	65731530	IEFKJYCTYZMBFL-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
N[C@H](c1ccc2ccccc2c1)C(F)(F)F	72194956	OWHGHTQGZFFGAL-LLVKDONJSA-N	225.213	3.402	0	50	BGAA	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCCCCC1	248499719	RCWZCMMSSYYBPB-MELADBBJSA-N	235.371	3.215	0	50	BGAA	
CCOc1cc(F)c(Br)cc1F	261494406	WUQSCUPXQUEKFY-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	
NCc1cc(Cl)cc(OC(F)F)c1Cl	263623624	JDGURMKMSDBZFR-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
C[C@@H]1CC(C)(C)N(C)c2c(C(=O)O)cccc21	616590841	LIZAWPUSJWLOBB-SECBINFHSA-N	233.311	3.107	0	50	BGAA	
Cc1cc(O)ccc1-c1nc(C)c(C)c(C)n1	2100483138	UPJJLVVDORMDBB-UHFFFAOYSA-N	228.295	3.083	0	50	BGAA	
O=C(c1ccccc1)c1cc(F)cc(F)c1	156280	PNRLNUIMFIMZLI-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	in-vitro
Clc1ccccc1OCCN1CCCCC1	182274	BQBFAQWCQRNARN-UHFFFAOYSA-N	239.746	3.205	0	50	BGAA	
CCCCNCCOc1cccc(CC)c1	3000548	QROSTMOOWFHKLZ-UHFFFAOYSA-N	221.344	3.018	0	50	BGAA	
Brc1ccc([C@H]2CCCCN2)s1	3734799	URXSDDBKOOFFJD-SSDOTTSWSA-N	246.173	3.325	0	50	BGAA	
CC(C)(C)c1ccc(OCCN2CCCC2)cc1	4989782	YLNWTFCVXGJXPF-UHFFFAOYSA-N	247.382	3.459	0	50	BGAA	
CC[C@H](C(=O)c1ccc(C)cc1)N1CCCC1	77303377	NXNPGAAZKYDOPW-CQSZACIVSA-N	231.339	3.052	0	50	BGAA	in-vitro
COc1ccc(Br)c(F)c1Cl	91301302	QVRJTVSQKSSESZ-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
Cc1cc(OC2CC2)ccc1Br	95735983	BIGMLJZWEYFQOI-UHFFFAOYSA-N	227.101	3.299	0	50	BGAA	in-vitro
Cc1nc(C(C)C)oc1C(=O)Nc1ccccc1	291994455	LJSCTRZYMPGGMR-UHFFFAOYSA-N	244.294	3.359	0	50	BGAA	
Cc1n[nH]c(C)c1-c1ccc(C(=O)C2CC2)cc1	426643040	SZJIXSXQLUGRRO-UHFFFAOYSA-N	240.306	3.286	0	50	BGAA	
O=C(O)[C@@H]1CC=C(c2ccccc2F)CC1	1775970657	JABWHFBGZMKXCX-SNVBAGLBSA-N	220.243	3.094	0	50	BGAA	
CCOc1ccccc1NC(=O)[C@H](C)CC	30873	VTCFVEOAWWFARC-SNVBAGLBSA-N	221.300	3.070	0	50	BGAA	
CCN(CC)C(=O)/C=C/c1ccc(Cl)cc1	63896	WBPWCIRTQWZMBD-JXMROGBWSA-N	237.730	3.222	0	50	BGAA	
C[C@H](Oc1ccccc1)C(=O)c1ccccc1	393782	OPDGCCBFQWSSCQ-LBPRGKRZSA-N	226.275	3.337	0	50	BGAA	in-vitro
Cc1cc2occ(CC(=O)O)c2c(C)c1Cl	4137159	WDYKMPBNUTVXOM-UHFFFAOYSA-N	238.670	3.330	0	50	BGAA	
C[C@@H]1CCCCN1Cc1ccc(Cl)nc1	5720768	GJJRFHPCKPHDSV-SNVBAGLBSA-N	224.735	3.109	0	50	BGAA	in-vitro
CCc1ccc(-c2nc3ccccc3n2C)nc1	27847710	WGADBGFSMMSPHW-UHFFFAOYSA-N	237.306	3.198	0	50	BGAA	
CCC/C=C/c1ccc(C(C)(C)C(N)=O)cc1	67770244	JKEKYELHEPDGDF-VOTSOKGWSA-N	231.339	3.263	0	50	BGAA	
CCC/C=C/c1cccc(C(=O)NCC)c1	67966587	INEAWSSIEHWJQO-SOFGYWHQSA-N	217.312	3.250	0	50	BGAA	
CC(=O)c1ccc(OCC(C)(F)F)cc1F	585672087	SVYFEBGPVDOHPJ-UHFFFAOYSA-N	232.201	3.062	0	50	BGAA	
CC(=O)c1cccc(NC(=O)c2cccs2)c1	35890	WYHAFIMGYHKFEX-UHFFFAOYSA-N	245.303	3.203	0	50	BGAA	
CCN(CC)CCCOc1ccccc1Cl	2494482	HOPSRWJIFPRXEN-UHFFFAOYSA-N	241.762	3.451	0	50	BGAA	
CN(C)c1ccc(-c2ccc(C=O)cc2)cc1	6247541	CPIVRXYXECSDDK-UHFFFAOYSA-N	225.291	3.232	0	50	BGAA	in-vitro
Cc1cc(C=O)c(C)c(CN2CCC[C@H](C)C2)c1	19094106	BYZKCGFGBVMXQN-LBPRGKRZSA-N	245.366	3.348	0	50	BGAA	
CC(C)Oc1nc2ccccc2nc1OC(C)C	22018728	WJPLOHDFYVDWQT-UHFFFAOYSA-N	246.310	3.204	0	50	BGAA	
CCC[C@@H](C)c1nc2ccc(C(=O)O)cc2[nH]1	37400821	VHTNAEYFGXHODS-MRVPVSSYSA-N	232.283	3.165	0	50	BGAA	
c1ccc([C@@H]2CNC[C@H]2c2ccccc2)cc1	37624731	KCUJZQHVIDHUQU-HOTGVXAUSA-N	223.319	3.157	0	50	BGAA	
Clc1cc(Cc2ccccc2)nc(Cl)n1	40449822	LIGZTXSHXRNYKM-UHFFFAOYSA-N	239.105	3.374	0	50	BGAA	
Cc1cnc(Br)c2ccccc12	82766548	IZLSEUQDOVQLRO-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
CC[C@@H]1C[C@H]1Nc1ncnc2ccc(C)cc12	435658490	ZATHICOEBIHEGF-ZWNOBZJWSA-N	227.311	3.149	0	50	BGAA	
Cc1ccc(-c2nccn2C2CC2)c(F)c1	1875246191	ABMMSETTXVYTHX-UHFFFAOYSA-N	216.259	3.333	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(OCC)cc1	30595	LGJHOYGOZYLKBI-NSHDSACASA-N	235.327	3.460	0	50	BGAA	
Cc1sc(N)nc1-c1cccc(Cl)c1	150355	IQMIPBOEPWSKSU-UHFFFAOYSA-N	224.716	3.354	0	50	BGAA	in-vitro
O=C(O)C1(c2ccc(Cl)cc2Cl)CC1	155670	MIBWNJWOBDYPRS-UHFFFAOYSA-N	231.078	3.110	0	50	BGAA	in-vitro
Cc1nc2ccc(Br)cc2s1	226138	NPBQNFVPWXRIGG-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	in-vitro
Cc1ccc(Oc2ccc(C(=O)O)cc2)cc1	1601396	DCDYPMNXCDXNJZ-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	in-vitro
CC(C)(C)CC(=O)Nc1cc(F)ccc1F	4821042	CNKIAJAOOFVRNE-UHFFFAOYSA-N	227.254	3.340	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)[C@@H]1C[C@@H]1C	13325720	LXNYSNLGKLXJCK-IONNQARKSA-N	223.703	3.243	0	50	BGAA	
CC(C)(C)OC(=O)N1CCc2sccc2C1	35270013	DGYXRUYCQAYVDM-UHFFFAOYSA-N	239.340	3.041	0	50	BGAA	in-vitro
CCc1nc(=S)c2cc(CC)sc2[nH]1	41090520	LCBJRYCMCQPUBZ-UHFFFAOYSA-N	224.354	3.479	0	50	BGAA	
CCOc1ccc2ncn(C(C)(C)C)c2c1	74937772	BBILNFAVMQFQIT-UHFFFAOYSA-N	218.300	3.190	0	50	BGAA	in-vitro
COc1cccc(-c2ccc(C=O)cc2)c1OC	213050571	VCXQERJQXQEHRS-UHFFFAOYSA-N	242.274	3.183	0	50	BGAA	
O=C(O)c1cc(Cl)nc(Cl)c1C(F)F	238645546	FJZDPZOULNXFGA-UHFFFAOYSA-N	242.008	3.024	0	50	BGAA	
FC(F)(F)COc1ccc(Cl)nc1Cl	585672373	GWTSHMIWUMKAJO-UHFFFAOYSA-N	246.015	3.330	0	50	BGAA	
Cc1ccc(-c2ccc3sc(C)nc3c2)nn1	1250519207	HUWPBTMTMADIHM-UHFFFAOYSA-N	241.319	3.370	0	50	BGAA	
Fc1cccc2ncc(-c3cnsc3)cc12	1875246072	HMBMLKUNGWNZPC-UHFFFAOYSA-N	230.267	3.497	0	50	BGAA	
c1csc(Cn2ccnc2-c2cnsc2)c1	1875248840	RVZIPNLSYIKUGZ-UHFFFAOYSA-N	247.348	3.116	0	50	BGAA	
C[C@@H](c1ccccc1)n1cnc2cc(N)ccc21	56372	KUGQTRSHOZUESN-NSHDSACASA-N	237.306	3.228	0	50	BGAA	
Cc1ccc(C)c(OCc2ccc(C(=O)O)o2)c1	133405	PKGYFRFZXOJFDA-UHFFFAOYSA-N	246.262	3.174	0	50	BGAA	
COc1ccc2c(C)c(CC(C)C)c(=O)oc2c1	452381	FFMCBKIRZOFZMZ-UHFFFAOYSA-N	246.306	3.309	0	50	BGAA	
CCCC(CCC)C(=O)Nc1cccnc1	461819	DYBHJHDRRLZLQE-UHFFFAOYSA-N	220.316	3.237	0	50	BGAA	
Cc1ccc(OCCCc2c(C)n[nH]c2C)cc1	2486263	NSJCVLVUKWJYHL-UHFFFAOYSA-N	244.338	3.347	0	50	BGAA	
Cc1c(F)ccc(Br)c1C	2511038	OYWLDZXWISLBMC-UHFFFAOYSA-N	203.054	3.205	0	50	BGAA	in-vitro
c1ccc(-c2cc3c(ccc4nonc43)[nH]2)cc1	3996234	SQJCPBHXKBNEOP-UHFFFAOYSA-N	235.246	3.371	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)NCC(C)C	6731057	YUKVHVPKCMNRRI-UHFFFAOYSA-N	240.734	3.426	0	50	BGAA	
Nc1ccc(Oc2ccc(F)cc2)c(F)c1	14630697	QYWIZFMOOPOWGU-UHFFFAOYSA-N	221.206	3.339	0	50	BGAA	
CCCOC(=O)c1cccc(Br)c1	35101594	RMNIKCIJMWATTH-UHFFFAOYSA-N	243.100	3.016	0	50	BGAA	
COc1ccc(-c2ccc(C(=O)O)s2)c(C)c1	40231852	FAVOJKUFLBVYGT-UHFFFAOYSA-N	248.303	3.430	0	50	BGAA	in-vitro
c1ccc(-c2csc(C3CCC3)n2)nc1	408514423	VBBCMHKYCMGUHY-UHFFFAOYSA-N	216.309	3.473	0	50	BGAA	
CC(C)(C)c1ccc2nc(N)sc2c1	12261	HWJMDJWCGKTWQG-UHFFFAOYSA-N	206.314	3.176	0	50	BGAA	
CCN(C(=O)c1ccccc1F)c1ccccc1	29739	NJRSSFXFOQBREZ-UHFFFAOYSA-N	243.281	3.492	0	50	BGAA	
Cc1ccc(C(=O)NC(C)(C)C)c(Cl)c1	382345	PKKRZWLSFQRZOA-UHFFFAOYSA-N	225.719	3.177	0	50	BGAA	
COc1ccccc1NC(=O)OCc1ccco1	396517	KTQHBGVXTYHIFC-UHFFFAOYSA-N	247.250	3.037	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccccc1OCC	456093	FNHZRKZKFMUYGW-LLVKDONJSA-N	235.327	3.460	0	50	BGAA	
OCc1cccnc1Oc1ccc(Cl)cc1	3105737	LBHSTJZNSSFBIC-UHFFFAOYSA-N	235.670	3.020	0	50	BGAA	
Cc1ccc(NC2(C(=O)O)CCCCC2)cc1	4244961	WNPOXUUMAKKPEQ-UHFFFAOYSA-N	233.311	3.194	0	50	BGAA	
COc1ccc2[nH]c3c(c2c1)CCCC3	12371482	LJUKCUCBMZNDOR-UHFFFAOYSA-N	201.269	3.055	0	50	BGAA	in-vitro
O=Cc1ccc(Oc2ccccc2C=O)cc1	15442702	DOJFAZRDFJYPQF-UHFFFAOYSA-N	226.231	3.104	0	50	BGAA	in-vitro
Nc1nc2c(s1)CCc1cc(Cl)ccc1-2	117156884	ISEZUHGOSOOAMZ-UHFFFAOYSA-N	236.727	3.144	0	50	BGAA	
Cc1ccc(CNc2ncccn2)cc1Cl	195006782	UMURXOWUAXBIQG-UHFFFAOYSA-N	233.702	3.051	0	50	BGAA	
Fc1cncc(-c2cccc3ncccc23)c1	1240235622	ZQDLOMNFZUOTRL-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
Cc1cccc(-c2nc3cc(N)ccc3o2)c1	125062	IZYUYEILENMPDT-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
Cc1ccc(C(=O)N(C)c2ccccc2)cc1	252955	JMKWPRLEPOROQJ-UHFFFAOYSA-N	225.291	3.272	0	50	BGAA	
COc1ccccc1Oc1ccccc1OC	302965	AGZRBJLATOQBCH-UHFFFAOYSA-N	230.263	3.496	0	50	BGAA	
CCCCn1c2c(c(=N)c3ccccc31)CCC2	1814048	NQLQTWGITUWPBT-UHFFFAOYSA-N	240.350	3.410	0	50	BGAA	biogenic
CCCCOc1ccc2c(C)cc(=O)oc2c1	3076503	FIBWFIHURYJGEP-UHFFFAOYSA-N	232.279	3.280	0	50	BGAA	
CCc1ccc([C@H](O)c2cccc(F)c2)cc1	4255767	WEGROKZPWGMYSN-HNNXBMFYSA-N	230.282	3.470	0	50	BGAA	
CCOc1ccc(CNC(C)C)cc1Cl	10436446	KUGGSUZWXAWHAJ-UHFFFAOYSA-N	227.735	3.237	0	50	BGAA	
CCC1CCC(NC(=O)N[C@@H](C)CC)CC1	13746340	WVCKRUSLNUFXIX-UNXYVOJBSA-N	226.364	3.053	0	50	BGAA	
Cc1ccc(C)c(NC(=O)c2cccc(O)c2)c1	19840444	UJBHHCPLOVBVHX-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
Oc1ccc(CNC2CCCC2)cc1Cl	43476636	HGXBPFREZRSJEW-UHFFFAOYSA-N	225.719	3.078	0	50	BGAA	
CCOC(=O)[C@@H]1C[C@H](C)CC[C@H]1C(C)C	43875663	COKHRMUNMDNBME-GRYCIOLGSA-N	212.333	3.258	0	50	BGAA	
CC[C@@H](N[C@H](C)c1ccc(C(C)C)cc1)C(=O)O	134945286	GNMIQLPRJHMTLV-BXUZGUMPSA-N	249.354	3.324	0	50	BGAA	
FC1(F)CC(CNC2CCCCCC2)C1	308874970	MUNXJHCIWNJEOY-UHFFFAOYSA-N	217.303	3.344	0	50	BGAA	
Cc1ccc(-c2cncc(N)c2C)c(C)c1	675074532	YONPKMYQSCLOFN-UHFFFAOYSA-N	212.296	3.256	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)C[C@@H](C)N1	757208873	FBEDMYKQEVHCLX-ISOBSLSZSA-N	243.354	3.320	0	50	BGAA	
CC(C)(C)C1(NC(=O)CCC(F)(F)F)CC1	828001247	JHWOMYIXBXYWPU-UHFFFAOYSA-N	237.265	3.024	0	50	BGAA	
CC(C)Oc1ccc(NC(=O)C(C)(C)C)cc1	144391	OGOVCQJOMILDJR-UHFFFAOYSA-N	235.327	3.458	0	50	BGAA	
Cc1cccc(NC(=O)Nc2cccc(F)c2)n1	319200	BMVINAOUIFVSRZ-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
Cc1cc(Cl)ccc1NC(=O)NCC(C)C	397281	NPSQCTPHZGQGST-UHFFFAOYSA-N	240.734	3.426	0	50	BGAA	
CC(C)[C@H](O)[C@H](c1ccccc1)C(C)C	3136321	AWBSAVHYHWDMPJ-KBPBESRZSA-N	206.329	3.443	0	50	BGAA	
CCn1c([C@H](C)Oc2ccccc2)n[nH]c1=S	5909247	IQQLIRYLDUFNFD-VIFPVBQESA-N	249.339	3.101	0	50	BGAA	in-vitro
Cc1scc(C(=O)Nc2cccnc2)c1C	16604739	WNCVIYXCMXOGHA-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
Oc1ccc(-c2cccc(F)c2)c(F)c1	47204490	PJTKIUCJBNFPNF-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
Cc1ncccc1C(=O)N[C@@H](C)C1=CCCCC1	670468141	YUKMCZQOGYUDFQ-NSHDSACASA-N	244.338	3.009	0	50	BGAA	
CCN(CC)P(N(CC)CC)N(CC)CC	391998	FDIOSTIIZGWENY-UHFFFAOYSA-N	247.367	3.239	0	50	BGAA	
CC(C)(C)CNC(=S)Nc1ccccc1F	406259	IURJZJRJXQSLRJ-UHFFFAOYSA-N	240.347	3.158	0	50	BGAA	
CCOC(=O)N1c2ccc(F)cc2CC[C@H]1C	476449	GKGFAPGJEYFYFI-SECBINFHSA-N	237.274	3.123	0	50	BGAA	
Clc1cc(Cl)c(-c2ccccc2)nn1	1406783	PPYSGGOWIZSMJL-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(Cl)c(N)c1	2599343	DBQDDWSYKOTBGD-UHFFFAOYSA-N	242.706	3.269	0	50	BGAA	
O[C@H]1Cc2ccc(cc2)CCc2ccc1cc2	3136797	LOQNLLTWPGRWEF-INIZCTEOSA-N	224.303	3.061	0	50	BGAA	
CC(C)[C@@H]1NCCc2c1[nH]c1ccccc21	4508861	ANFOWSMYMVVVLD-ZDUSSCGKSA-N	214.312	3.011	0	50	BGAA	in-vitro
Cc1ccc(Nc2cc(C)ncn2)c(C)c1	11902758	PGWRCHFDWQCXRL-UHFFFAOYSA-N	213.284	3.145	0	50	BGAA	
CCCCn1ncc2[nH]c(-c3ccsc3)nc21	20617890	ROSIHZNWHDGOQP-UHFFFAOYSA-N	246.339	3.288	0	50	BGAA	
Cc1ccc(-c2cccc(F)c2C(=O)O)cc1	65349489	ZASZHJCSBUOYGZ-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	
COC(=O)c1cc(-c2ccc(F)cc2)ccc1F	97756962	XQDGCAUHFJCCKS-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(c1ccccc1)C2	100940973	RSPCTHIVCKFIDB-YUELXQCFSA-N	230.307	3.060	0	50	BGAA	
c1cncc(-c2nccn2C2CCCC2)c1	1875248624	BXFQCVXFYLAPKJ-UHFFFAOYSA-N	213.284	3.060	0	50	BGAA	
CCCn1cc(-c2ccnc3[nH]cc(C)c23)cn1	2325777996	VVXQYWCYJDJAKM-UHFFFAOYSA-N	240.310	3.145	0	50	BGAA	
CC[C@@]1(C)OC(=O)N2CCc3ccccc3[C@@]21C	139860	OGJNMISUIGRWIJ-HUUCEWRRSA-N	245.322	3.079	0	50	BGAA	biogenic,in-vitro
CCc1cccc(CC)c1NC(=O)C(C)C	145128	NPNDDQPCMFHRGS-UHFFFAOYSA-N	219.328	3.406	0	50	BGAA	
CCOc1ccc2ccccc2c1C=O	149185	IMNKQTWVJHODOS-UHFFFAOYSA-N	200.237	3.051	0	50	BGAA	
CCOc1ccccc1OC(=O)c1ccccc1	150339	NSDXDFQBGVBPQU-UHFFFAOYSA-N	242.274	3.305	0	50	BGAA	biogenic
Cc1ccc2nc(Br)ccc2c1	332684	PFRRWCLQPTZNCN-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CCCCN(C)CCC(=O)Nc1ccc(C)cc1	2765151	KHCANPMOSXIPON-UHFFFAOYSA-N	248.370	3.056	0	50	BGAA	
CC(C)CNC(=O)Nc1ccc(F)c(Cl)c1	6725693	YRXZNABNNHUMNF-UHFFFAOYSA-N	244.697	3.257	0	50	BGAA	
Cc1ccc(Nc2c(N)cccc2C(=O)O)cc1	6733687	GTTBSDNXVFGONG-UHFFFAOYSA-N	242.278	3.019	0	50	BGAA	in-vitro
Cc1ccccc1C(=O)N1C[C@@H](C)C[C@@H](C)C1	12410432	HHZTUIRGKSHRNK-TXEJJXNPSA-N	231.339	3.113	0	50	BGAA	
C/C=C1\C(=C(C)C)C(=O)N[C@@H]1c1ccccc1	101921051	UCCKXRMLADKZOL-NQADCFBISA-N	227.307	3.140	0	50	BGAA	
Nc1cc(Cl)cc(OC(F)F)c1Cl	263624589	RUNJLDYAPUITHN-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
Cc1nccn1C[C@@H](C)NCCCC1CCCC1	584902160	AIIQXZWHYUYWGV-CYBMUJFWSA-N	249.402	3.140	0	50	BGAA	
Cc1nnc(-c2cccc(NC[C@@H]3C[C@@H]3C)c2)o1	683110100	PPMQCLHALOZHPL-CABZTGNLSA-N	243.310	3.113	0	50	BGAA	
O=Cc1cc(F)ccc1-c1cccc(O)c1F	725271003	XVAVAXXYGZWWAY-UHFFFAOYSA-N	234.201	3.150	0	50	BGAA	
CC(=O)Oc1ccc(Cl)cc1C(F)F	1772717259	MHCBZEWSSCSCAU-UHFFFAOYSA-N	220.602	3.203	0	50	BGAA	
Cc1ccccc1COc1ccc(C=O)cc1	167686	FXAPSNOGITVABN-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
CNC(=O)OC12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	289776	ONURSHUYBBUVMJ-AMZBWDOQSA-N	237.343	3.091	0	50	BGAA	
Cc1cccc(C(=O)Nc2ccc(F)cc2)c1	293430	RIKXXGKUWBULKY-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
Cc1cccc(Cl)c1NC(=O)C(C)C	394109	OAFBBKGNQZVRKT-UHFFFAOYSA-N	211.692	3.243	0	50	BGAA	
CC(C)C(=O)Nc1ccccc1C1(C)CC1	1163880	UPPDPVHNDHNKTD-UHFFFAOYSA-N	217.312	3.333	0	50	BGAA	
O=C(O)CCCc1ccc2ccccc2c1	1666553	HBRVUQIGDLSBCB-UHFFFAOYSA-N	214.264	3.247	0	50	BGAA	in-vitro
O=C(O)C(c1cccs1)c1cccs1	1673499	XOFMKTIZCDSXFR-UHFFFAOYSA-N	224.306	3.026	0	50	BGAA	
CCCCN(C)[C@@H](C)CCc1ccc(O)cc1	2464078	CNBLYLWPZUMVSN-ZDUSSCGKSA-N	235.371	3.445	0	50	BGAA	
CC(=O)CCc1ccc(C(F)(F)F)cc1	3080675	YWQOPLJHSOZSAT-UHFFFAOYSA-N	216.202	3.227	0	50	BGAA	in-vitro
COc1ccc(CSC2=NCCS2)cc1	5527003	HVJKRRDEMUQPNP-UHFFFAOYSA-N	239.365	3.031	0	50	BGAA	
O=C(NC1CCCC1)c1ccc(F)cc1Cl	6699439	XRMKGRCOWBFELW-UHFFFAOYSA-N	241.693	3.152	0	50	BGAA	
Cc1cc(N)ccc1NC(=O)C1CCCCC1	8703477	XAEVBTRUASSSGN-UHFFFAOYSA-N	232.327	3.096	0	50	BGAA	
CC(C)Cn1cncc1CNC1CCCCCC1	65372864	JFLDGLBVHBLYAP-UHFFFAOYSA-N	249.402	3.352	0	50	BGAA	
O=C(c1cccc2ccccc12)[C@@H]1CCCNC1	67805857	OVRXETSGGBZJBB-CYBMUJFWSA-N	239.318	3.022	0	50	BGAA	
COC(=O)Cc1cc(C)c(Cl)c(Cl)c1	263624140	NTRWDJGCZDTQMG-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
CCn1ncnc1[C@H](C)Sc1ccc(C)cc1	823609607	PWIBJZZMBPGVLH-NSHDSACASA-N	247.367	3.460	0	50	BGAA	
CC(C)(C)NC(=O)/C=C/c1ccccc1Cl	64059	GIYWYVALTOFQIM-CMDGGOBGSA-N	237.730	3.268	0	50	BGAA	
O=Cc1ccc(OCc2ccccc2F)cc1	84930	HSFLULIGUCYNMW-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	
c1ccc(-c2nc(-c3cccs3)no2)cc1	118405	KFGNAHMEUXWCRT-UHFFFAOYSA-N	228.276	3.465	0	50	BGAA	
c1cc2c(cc1NC1CCCCC1)OCO2	294227	ZOOXQEMVSQUQSS-UHFFFAOYSA-N	219.284	3.160	0	50	BGAA	in-vitro
CC(=O)Nc1ccccc1Nc1ccccc1	307582	LLLIAQGTLKQBDI-UHFFFAOYSA-N	226.279	3.389	0	50	BGAA	
C[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1	361433	HGJLVZOCLCPNQZ-LLVKDONJSA-N	243.281	3.317	0	50	BGAA	
COc1ccc(Cl)cc1CN1CCCCC1	365707	YRGHGXTVFQVLJV-UHFFFAOYSA-N	239.746	3.335	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)Oc1cccnc1	395131	FVWIOMGRIKYNKR-UHFFFAOYSA-N	248.669	3.346	0	50	BGAA	
CCOC(=O)N1c2ccc(F)cc2CC[C@@H]1C	476450	GKGFAPGJEYFYFI-VIFPVBQESA-N	237.274	3.123	0	50	BGAA	
Clc1ccc(S[C@H]2CCCNC2)cc1	2559473	QMPCXJUTUMFBQB-NSHDSACASA-N	227.760	3.184	0	50	BGAA	in-vitro
Cc1ccc(CNC(=O)Nc2ccccc2)cc1	3012920	XCFCGNZCNWBQCF-UHFFFAOYSA-N	240.306	3.317	0	50	BGAA	
Cc1cc(OCCN2CCCC2)ccc1Cl	5724922	BZOUCJBOXSJMTJ-UHFFFAOYSA-N	239.746	3.123	0	50	BGAA	
Fc1ccccc1-c1ccc(CNC2CC2)o1	6697650	BBUNVRNGMFWRER-UHFFFAOYSA-N	231.270	3.338	0	50	BGAA	
COc1cccc2sc(Br)nc12	11920211	ZVCFJHNSAMCWGM-UHFFFAOYSA-N	244.113	3.067	0	50	BGAA	
OCc1cc(-c2cc(Cl)ccc2Cl)no1	86037054	WQGKMIWAISURFM-UHFFFAOYSA-N	244.077	3.141	0	50	BGAA	
CCC(CC)Nc1ccncc1Br	126993462	YXCRACAPFDHRLG-UHFFFAOYSA-N	243.148	3.445	0	50	BGAA	
COc1cccc(OC(C)C)c1Cl	238383179	IKDQYUVRBFPULL-UHFFFAOYSA-N	200.665	3.136	0	50	BGAA	
O=C(O)c1cc(Cl)cc(C(F)(F)F)c1F	396158493	KXXOBLVXFYHFBO-UHFFFAOYSA-N	242.555	3.196	0	50	BGAA	
OCCCc1ccc(OC2CCCCC2)cc1	584907149	MYTSSQQFYAGTSJ-UHFFFAOYSA-N	234.339	3.323	0	50	BGAA	
Oc1ccc(-c2ccnc(C(F)F)c2)cc1	725273723	XUORNWSZQXNECH-UHFFFAOYSA-N	221.206	3.392	0	50	BGAA	
Oc1ccccc1-c1ccnc(C(F)F)c1	725273729	YBHAJCRKAZYHOD-UHFFFAOYSA-N	221.206	3.392	0	50	BGAA	
Nc1ccc(Br)cc1C(F)(F)F	56541	PHXGKHTWEOPCEW-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	
O=C1CCSc2cccc3cccc(c23)N1	269059	DPKIUHXJZFUQLC-UHFFFAOYSA-N	229.304	3.274	0	50	BGAA	
O=C(O)c1cc2cc3ccccc3nc2s1	616740	FSEPCRFINOFJMC-UHFFFAOYSA-N	229.260	3.148	0	50	BGAA	in-vitro
O=C(Nc1ccncc1)c1ccc(Cl)s1	1055253	RCCNPPXZYJWCBC-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
Oc1cc(Cl)c(Br)cc1Cl	2039100	HWWKEEKUMAZJLL-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	
CCCCCNC(=S)Nc1ccccc1	5421782	SIKSXGPHVBAUIC-UHFFFAOYSA-N	222.357	3.163	0	50	BGAA	
O=C(c1csc2ccccc12)N1CCCC1	12914704	YASXSIUQGCBYTP-UHFFFAOYSA-N	231.320	3.137	0	50	BGAA	
CCCCNC(=O)c1ccccc1C(F)(F)F	16648238	FMQDDICEJGNHTL-UHFFFAOYSA-N	245.244	3.235	0	50	BGAA	
Brc1ccc(C2=NCCC2)cc1	22002977	JWFYKOZMQNALPB-UHFFFAOYSA-N	224.101	3.032	0	50	BGAA	
CCCC(=O)Nc1cccc(NC(=O)CC)c1C	26031347	QWODNUWDRZRYCX-UHFFFAOYSA-N	248.326	3.082	0	50	BGAA	
COc1cc(Oc2ccccc2)ccc1N	71602982	VUCNAMPOMSVBED-UHFFFAOYSA-N	215.252	3.070	0	50	BGAA	
CNC(C)(C)C(C)(C)Cc1ccccc1	96026982	OKDRIJWDDQSRKF-UHFFFAOYSA-N	205.345	3.253	0	50	BGAA	
CNc1cccc(C(F)(F)F)c1Cl	139340172	KLQJCMOFIMZWDR-UHFFFAOYSA-N	209.598	3.401	0	50	BGAA	
CCCCCC[C@@H](C)N[C@@H](C)c1cn[nH]c1	222513284	PRPFUBSTUIUSDZ-NEPJUHHUSA-N	223.364	3.419	0	50	BGAA	
O=Cc1cc(Cl)c(OC(F)F)c(Cl)c1	263623752	KLFHFNCOVTZXDJ-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
O=C1N[C@@H](c2ccccc2)C12CCCCCC2	310216842	VZHLWGIUWBEZQQ-ZDUSSCGKSA-N	229.323	3.198	0	50	BGAA	
O=C(c1ccc(-c2ccoc2)o1)N1CCCCC1	534672378	MQEANWPETGISHY-UHFFFAOYSA-N	245.278	3.166	0	50	BGAA	
C[C@@H]1CC(C)(C)c2c(F)c(F)c(F)c(N)c21	669375009	OROYNDILMZKELM-RXMQYKEDSA-N	229.245	3.471	0	50	BGAA	
Cc1ccc(-c2noc(-c3ccncc3)n2)cc1	528001	ZGQGASFJOGPJQH-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
Clc1cc(Br)cnc1Cl	2526708	XWSCOGPKWVNQSV-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
O=C1C[C@@H](c2ccccc2)OC12CCCCC2	4006067	CGDQZKZYUOONFO-ZDUSSCGKSA-N	230.307	3.420	0	50	BGAA	
CCNCCOc1ccc(C)cc1C(C)(C)C	6703256	TZMKIBBYDLCZJU-UHFFFAOYSA-N	235.371	3.281	0	50	BGAA	
CC(C)(C)c1ccc(-c2nnc(S)o2)cc1	17957833	ATIYHEZPBLMRNI-UHFFFAOYSA-N	234.324	3.323	0	50	BGAA	
COc1ccccc1CCN[C@H]1CC[C@H](C)C1	23280449	GSJGRYUDEBEFSF-JSGCOSHPSA-N	233.355	3.016	0	50	BGAA	
C1CC[C@@H]2[C@H](C1)OCCN2C[C@H]1C[C@H]2CC[C@H]1C2	240412626	FNLLDLCPAKJKGY-RBZJEDDUSA-N	249.398	3.066	0	50	BGAA	
Cc1ccc(NC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1	243932455	BVMNGBCXLDPFQF-XSXPHNMFSA-N	241.334	3.226	0	50	BGAA	
c1c(CN2CCC3(CCCC3)C2)noc1C1CC1	244659488	HDLLIACCAMMJHO-UHFFFAOYSA-N	246.354	3.318	0	50	BGAA	
Cc1ccc(F)c(CNC2CC(F)(F)C2)c1	277785747	ZRCSMKVWVYYQED-UHFFFAOYSA-N	229.245	3.021	0	50	BGAA	
c1ccc(-c2cn(Cc3cccs3)nn2)cc1	408525852	NMXRUHYMAXSOTN-UHFFFAOYSA-N	241.319	3.055	0	50	BGAA	
Cc1ccc2cc(-c3ccnnc3)ccc2n1	1242051577	KVLONRPQHXOBAJ-UHFFFAOYSA-N	221.263	3.000	0	50	BGAA	
C1=CC[C@@H](c2nccn2Cc2cscn2)CC1	1875243885	CDSLTFDMEIYGBF-LLVKDONJSA-N	245.351	3.212	0	50	BGAA	
COc1ccc(CN2CCCCCC2)cc1OC	200339	SBPFXTISSNUGQT-UHFFFAOYSA-N	249.354	3.080	0	50	BGAA	
Cc1ccc(CN(C)CCc2ccccn2)cc1	247739	WBEJJOSWBLYDBQ-UHFFFAOYSA-N	240.350	3.065	0	50	BGAA	
Cc1oc2ccc(O)cc2c1C(=O)OC(C)C	271846	BCUPQOPHSHPXET-UHFFFAOYSA-N	234.251	3.012	0	50	BGAA	biogenic
O=C(Nc1cccc(F)c1)c1ccccc1F	282234	OXXZJQAXAAXCNA-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
O=C(Nc1ccccc1F)c1ccc(F)cc1	299491	LZBDSFZDRBAKMN-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
CC[C@@H](NC(=O)C1CCC1)c1ccccc1	371579	KEEDDACEYQLHIH-CYBMUJFWSA-N	217.312	3.054	0	50	BGAA	
c1ccc2c(-c3ccncn3)cccc2c1	390035	ODDMTWYLRPEJMH-UHFFFAOYSA-N	206.248	3.297	0	50	BGAA	
CCN(CC)C(=O)Nc1c(C)cccc1C	397296	CLYLARZOYMBKKK-UHFFFAOYSA-N	220.316	3.177	0	50	BGAA	
FC(F)(F)c1cccnc1C(F)(F)F	2506704	RRNXYHYDSDAOFW-UHFFFAOYSA-N	215.096	3.119	0	50	BGAA	in-vitro
CC[C@@H](C)NCCOc1ccc(C)cc1Cl	2823701	NVULQAXUTCYNTI-LLVKDONJSA-N	241.762	3.415	0	50	BGAA	
CCCC[n+]1c(C)sc2ccccc21	2831200	WUBADEYCUXCRMK-UHFFFAOYSA-N	206.334	3.297	0	50	BGAA	
CSc1ccc(O)c(C(F)(F)F)c1	95721640	QGNXAYCLQGGPFT-UHFFFAOYSA-N	208.204	3.133	0	50	BGAA	
O=C(Nc1ccncc1)Oc1ccc(Cl)cc1	204095454	QWOCPRQOMDUDHE-UHFFFAOYSA-N	248.669	3.346	0	50	BGAA	
CCS[C@H]1CC(=O)CCC12CCCC2	725362244	QZRURYQCBUQSRA-NSHDSACASA-N	212.358	3.422	0	50	BGAA	
CCOCCC(=O)Nc1ccc2oc(C)cc2c1	823318399	MQVXVGDFNJRPSQ-UHFFFAOYSA-N	247.294	3.106	0	50	BGAA	
Cc1[nH]c2ccccc2c1NC(=O)[C@H]1C[C@@H]1C	1875270423	MWFQDKZCGOLYHC-KWQFWETISA-N	228.295	3.071	0	50	BGAA	
COc1ccc(NC[C@H]2CC=CCC2)cc1OC	757076	NYZQJRZNONTFOW-LBPRGKRZSA-N	247.338	3.472	0	50	BGAA	
CCOC(=O)CCCOc1ccc(Cl)cc1	1606961	CMQSMINXUPJBTJ-UHFFFAOYSA-N	242.702	3.062	0	50	BGAA	
Nc1ccc(-c2cc3ccccc3[nH]2)cc1	1708901	BBYJHUAEFSHMHU-UHFFFAOYSA-N	208.264	3.417	0	50	BGAA	in-vitro
S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)o1	5480520	QLRSPGHQEPSBOC-UHFFFAOYSA-N	236.340	3.200	0	50	BGAA	
NC[C@@H](CCOc1ccccc1)c1ccccc1	40564450	NRXXFQODABNHLX-OAHLLOKOSA-N	241.334	3.198	0	50	BGAA	
OCc1ccc(-c2ccc3ccccc3n2)cc1	65408483	VDLHAOVBONHWKY-UHFFFAOYSA-N	235.286	3.394	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(O)c(Cl)c1	82879647	HTKIMPSOKVLTQC-UHFFFAOYSA-N	243.690	3.393	0	50	BGAA	
Cc1c(Cl)cnc(Br)c1Cl	95829897	HLDVAOYSLNZHFD-UHFFFAOYSA-N	240.915	3.459	0	50	BGAA	
Nc1cc(Cl)c(Cl)c(OC(F)F)c1	263624476	QWAXOESTSYUTRP-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
Cc1cccc(-c2cccc(C(=O)N(C)C)c2)c1	1239489006	ISFYNPJDVOMPSG-UHFFFAOYSA-N	239.318	3.364	0	50	BGAA	
C[C@H](Nc1ncc(Cl)cn1)C1=CCCCC1	1506422980	VQFLDVCIMCMJMQ-VIFPVBQESA-N	237.734	3.431	0	50	BGAA	
CC[C@@]12C[C@@H]1CN(c1ncc(Cl)cc1F)C2	1772805791	SHMYTYSRBIYITB-PELKAZGASA-N	240.709	3.110	0	50	BGAA	
O=C(CCc1ccccc1)Oc1ccc(F)cc1	149064	VBAHRMYBBLXTMM-UHFFFAOYSA-N	244.265	3.364	0	50	BGAA	
O=C(O)[C@@H](c1ccccc1)C1CCCCC1	155647	AAJLPPDFIRPBDA-ZDUSSCGKSA-N	218.296	3.435	0	50	BGAA	in-vitro
CCCC(=O)N(CC)c1ccccc1C	620674	CZCFWYJLCHZCCA-UHFFFAOYSA-N	205.301	3.148	0	50	BGAA	
O=C(O)Cc1ccc(-c2ccc(F)c(F)c2)cc1	2513042	UGFFUDBVWPNLEA-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(C)O)C1(C)C	5528095	AYXPYQRXGNDJFU-QTPLKFIXSA-N	222.372	3.466	0	50	BGAA	biogenic
NCc1cccc(-c2ccc(Cl)cc2)c1	5763214	ACEYSDJWHIIOJE-UHFFFAOYSA-N	217.699	3.466	0	50	BGAA	
CCCC[C@@H](CO)N[C@H]1CCCC(C)(C)C1	20865586	PYZYMBDQQKDHSC-STQMWFEESA-N	227.392	3.096	0	50	BGAA	
CC(C)(C(=O)O)c1ccc(Cl)cc1Cl	33464830	KFRQWPQKMUERPY-UHFFFAOYSA-N	233.094	3.356	0	50	BGAA	
COC(C)(C)Cn1ccnc1-c1ccccc1C	67714339	WBHBZHCARDWQED-UHFFFAOYSA-N	244.338	3.284	0	50	BGAA	
CCc1nc(Cl)c2scc(C)c2n1	238303756	RDWCQBKHSLIARC-UHFFFAOYSA-N	212.705	3.216	0	50	BGAA	
C=CC(=O)N[C@H]1CCC[C@H]1CCc1ccccc1	1875376355	UENRUMDWVWKEJI-GJZGRUSLSA-N	243.350	3.090	0	50	BGAA	
COc1ccc2ccc(=O)oc2c1CC=C(C)C	566	MBRLOUHOWLUMFF-UHFFFAOYSA-N	244.290	3.310	0	50	BGAA	biogenic,in-vitro
COc1ccc(-c2nc3ccccc3[nH]2)cc1	31317	PYRWEZBEXFMUHH-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	in-vitro
C=CC(=O)NC1(C[C@@H](C)CC)CCCCC1	271416	XIGSJQNZABIWBQ-LBPRGKRZSA-N	223.360	3.428	0	50	BGAA	
CC(=O)c1cccc(-c2cccc(C(=O)O)c2)c1	2513019	NJNGKNDRAKDMQB-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	in-vitro
C[C@@H](N(C)C)C12CC3CC(CC(C3)C1)C2	3895600	OOQVJPLFOITUKD-ZGCIAEMCSA-N	207.361	3.153	0	50	BGAA	
C[C@H]1CN([C@@H](C)CCc2ccccc2)C[C@@H](C)O1	23283490	SWPBYVAZDQCLRW-SOUVJXGZSA-N	247.382	3.117	0	50	BGAA	
CC(=O)N(C)c1ccc(-c2cccc(O)c2)cc1	32587344	RESDMGILVPXRMO-UHFFFAOYSA-N	241.290	3.042	0	50	BGAA	
O=Cc1cn(-c2ccccc2)c2ccccc12	39216432	KCAGQLHYSPGZNH-UHFFFAOYSA-N	221.259	3.443	0	50	BGAA	in-vitro
Cc1c(C=O)ccc(Br)c1Cl	67802809	RWHAUUYYMOTLNP-UHFFFAOYSA-N	233.492	3.223	0	50	BGAA	in-vitro
Cc1cc(C)c(C)c(C(=O)NC(C)C)c1C	71774206	KAWNWVWHUHPBRU-UHFFFAOYSA-N	219.328	3.058	0	50	BGAA	
Oc1ccc(F)cc1OCc1ccccc1	141551082	DWOLFTCGXRAKSN-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	
Oc1ccc(Cl)c(OC(F)F)c1Cl	263622813	BDBSRDISSKVOFD-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
c1cc2nn[nH]c2cc1NC1CCC2(CC1)CC2	330196951	RCYRCCZUXDWXCJ-UHFFFAOYSA-N	242.326	3.093	0	50	BGAA	
CSCc1ccc(-c2ccnc(C)c2)nc1	426407729	ZDLXMULMBKGTSD-UHFFFAOYSA-N	230.336	3.315	0	50	BGAA	
CN(Cc1ccc2nsnc2c1)C1CCCC1	1139212573	HZLGGEOBIWOHGB-UHFFFAOYSA-N	247.367	3.066	0	50	BGAA	
Cc1ccccc1NC(=O)NC1CCCC1	399273	CQJAROMPYSYKQM-UHFFFAOYSA-N	218.300	3.059	0	50	BGAA	
COc1cccc(-c2ccc(C=O)cc2)c1	2574083	LHVLDSOAJZLBMM-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
FC(F)(F)c1ccccc1C1CCNCC1	2577360	KFWQOXAWVPAOKE-UHFFFAOYSA-N	229.245	3.172	0	50	BGAA	
CCOc1ccc([C@@H]2CCCCCN2)cc1	3734906	DMMRUUPDPAVQQH-AWEZNQCLSA-N	219.328	3.290	0	50	BGAA	in-vitro
Cc1ccc(-c2nc(CC(=O)O)cs2)c(C)c1	4206924	AQDKCBABWSPBMW-UHFFFAOYSA-N	247.319	3.054	0	50	BGAA	
CC(C)Oc1ccc(C(=O)N2CCCCC2)cc1	8041191	DDSBMCLZCGVCJC-UHFFFAOYSA-N	247.338	3.100	0	50	BGAA	
O=C(NC1CCCC1)N1CCCc2ccccc21	13328393	IWBNPHLZNNASLL-UHFFFAOYSA-N	244.338	3.091	0	50	BGAA	
Cc1nc(NC(=O)CC(C)(C)C)sc1C	13331223	UXHXSHJSKBVQJV-UHFFFAOYSA-N	226.345	3.135	0	50	BGAA	
CCN(CCN(C)C)C[C@@H](C)CCC=C(C)C	19634294	GBUIANVJABHCQL-HNNXBMFYSA-N	240.435	3.252	0	50	BGAA	
Cc1ccc(-c2cccc(C)c2C)c(N)n1	32540533	TYJUTJKLVWLPIX-UHFFFAOYSA-N	212.296	3.256	0	50	BGAA	
NC(=O)c1ccccc1-c1cccc(Cl)c1F	67820177	UPOSQUVGFDEKGV-UHFFFAOYSA-N	249.672	3.245	0	50	BGAA	
O=Cc1ccc(-c2cccc(O)c2F)cc1F	725270047	DJXUOCADEAVELM-UHFFFAOYSA-N	234.201	3.150	0	50	BGAA	
Cc1cc(-c2noc(C3CCC3)n2)cnc1Cl	725273529	JIYJSFOHVYPDFW-UHFFFAOYSA-N	249.701	3.361	0	50	BGAA	
Nc1nc2c(Cl)c(Cl)ccc2s1	26449	GMOFXJZIUQGHTF-UHFFFAOYSA-N	219.096	3.185	0	50	BGAA	in-vitro
Nc1ccccc1C(=O)Nc1cccc(Cl)c1	122626	PODFNAVRZPMCEM-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
Cc1ccc(C)c(C(C)(C)CC(=O)O)c1	227727	AJEDXECKOHLOEO-UHFFFAOYSA-N	206.285	3.056	0	50	BGAA	
C=C(c1ccccc1Cl)[n+]1ccccc1	337495	XHBUMLYBSZKDHQ-UHFFFAOYSA-N	216.691	3.147	0	50	BGAA	
COc1cccc(F)c1C(=O)Nc1ccccc1	409503	GYFFKXWEKAKTGO-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
C[C@H]1C[C@@H](C)CN(C(=O)NC2CCCCC2)C1	16212941	RODOJLDNWXICNZ-TXEJJXNPSA-N	238.375	3.007	0	50	BGAA	
c1cncc([C@H]2CCCCN2Cc2ccco2)c1	22023180	SVYATQQCRHBORT-OAHLLOKOSA-N	242.322	3.402	0	50	BGAA	
O=C1CCc2c1ccc(Cl)c2Cl	42405047	KYWOFYRNDCXWHN-UHFFFAOYSA-N	201.052	3.122	0	50	BGAA	in-vitro
Cn1ccc2cc(C[C@H]3CCCCO3)ccc21	91736553	HIRLHFITTIFFLN-CQSZACIVSA-N	229.323	3.290	0	50	BGAA	
O=C(O)C[C@@H](NC1CCCCC1)c1ccccc1	167934355	ZHYVPVXQMFGWSI-CQSZACIVSA-N	247.338	3.125	0	50	BGAA	
OC1[C@H]2C=C[C@H]1[C@H]1[C@H]3CC[C@@H](c4ccccc43)[C@H]21	247777822	YNZJBUCKABZWKH-OSLXHZNNSA-N	238.330	3.070	0	50	BGAA	
COc1ccc(O)c(-c2ccc(C)nc2C)c1	426697284	FKORXVNLPZKGMT-UHFFFAOYSA-N	229.279	3.080	0	50	BGAA	
Cc1ccc(-c2csc(N)n2)c(C)c1	35820	OJXMEMYRDCFPHW-UHFFFAOYSA-N	204.298	3.009	0	50	BGAA	in-vitro
Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1	164553	ODSXJQYJADZFJX-UHFFFAOYSA-N	230.107	3.430	0	50	BGAA	in-vitro
Cc1ccc2nc(-c3ccccc3)oc(=O)c2c1	280783	XUKXDTOQDIGVOS-UHFFFAOYSA-N	237.258	3.163	0	50	BGAA	
CC(C)c1ccc(OCCCC(=O)O)cc1	1791607	FNAKUQYUFZKYOK-UHFFFAOYSA-N	222.284	3.054	0	50	BGAA	in-vitro
O=C(O)c1ccccc1OCc1cccc(F)c1	7603964	YVCZMWYFCOWBIP-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	
CCc1cccc2cc(C=O)c(Cl)nc12	11850778	OCNAMDQJNZGZIH-UHFFFAOYSA-N	219.671	3.263	0	50	BGAA	in-vitro
CCCc1ccc(C(=O)Nc2ccncc2)cc1	16602212	JMAMFUZOCLGKJG-UHFFFAOYSA-N	240.306	3.286	0	50	BGAA	
CC(=O)c1ccc(-c2ccccc2O)cc1	33427223	KLKOZQTVEOCZLV-UHFFFAOYSA-N	212.248	3.262	0	50	BGAA	in-vitro
Sc1nc2cccc(Br)c2s1	35269893	YMKOWNRHWXMBKS-UHFFFAOYSA-N	246.154	3.348	0	50	BGAA	in-vitro
O[C@H](c1ccc(Br)cc1)C1CCC1	36164461	JGWPCRSAIVXMAB-NSHDSACASA-N	241.128	3.283	0	50	BGAA	
O=C(NCCSC1CCCC1)c1ccccc1	40082532	NKAKGEXYFVRDJZ-UHFFFAOYSA-N	249.379	3.092	0	50	BGAA	
Brc1ccc2nscc2c1	40448518	OZRILMBPXSZJAR-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
C[C@@H](CCN(C)Cc1ncc[nH]1)c1ccccc1	65385710	RCBSUTQSAXZBRE-ZDUSSCGKSA-N	243.354	3.035	0	50	BGAA	
Cc1c(S)cccc1Br	67796616	LEOFHMZWMVHVIS-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
CCO[C@H](CC)c1nncn1-c1cccc(C)c1	67880171	OANYSNCKCQXQQD-CYBMUJFWSA-N	245.326	3.063	0	50	BGAA	
C[C@@H]1CCC[C@@H](N[C@H](C)CCCC(C)(C)O)C1	101564497	MIKSTOQTQHEXAR-MGPQQGTHSA-N	241.419	3.484	0	50	BGAA	
CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@@H]2C1	208219317	FMJILALKTYWOFJ-GHMZBOCLSA-N	225.332	3.044	0	50	BGAA	
Fc1ccc(Cl)cc1OCC(F)(F)F	261493969	MWSLOYKSBMCFHJ-UHFFFAOYSA-N	228.572	3.420	0	50	BGAA	
CC1(C)[C@H](CCN)[C@H]1c1cc2ccccc2[nH]1	334162949	IOFVCEYFMLOXMV-RISCZKNCSA-N	228.339	3.256	0	50	BGAA	
NC(=O)c1cc(C2=CCCCC2)ccc1Cl	426677344	BVLFOWUDMSRGRG-UHFFFAOYSA-N	235.714	3.396	0	50	BGAA	
CC[C@@H](Nc1ncnc2ccc(F)cc12)C1CC1	664438389	REIJCAQGICKUDR-GFCCVEGCSA-N	245.301	3.369	0	50	BGAA	
C=CC(=O)N[C@H]1CC=C(c2ccc(F)cc2)CC1	1353214288	ANMCVNPTGBIXCQ-AWEZNQCLSA-N	245.297	3.064	0	50	BGAA	
Cc1nccc(N2CCC3(CCCCCC3)C2)n1	1704336129	UHLGEHKZWVSCHX-UHFFFAOYSA-N	245.370	3.336	0	50	BGAA	
CCc1ccccc1NC(=O)c1ccco1	236985	PGWOIMHVHZYZIM-UHFFFAOYSA-N	215.252	3.094	0	50	BGAA	
CO[C@@H]1CCCC[C@@H]1NC1CCCCCC1	292987	JZDQZLOTEYWYNS-UONOGXRCSA-N	225.376	3.256	0	50	BGAA	
CCCC(=O)c1ccc(Br)s1	1596534	DUGRGUURUDYJSJ-UHFFFAOYSA-N	233.130	3.493	0	50	BGAA	
c1ccc(COCOCc2ccccc2)cc1	1841055	JCTHGPXQXLMSDK-UHFFFAOYSA-N	228.291	3.378	0	50	BGAA	biogenic
CCCCCCC(=O)c1ccc(O)cc1O	2027621	RXDIDNDIEUCKLE-UHFFFAOYSA-N	222.284	3.251	0	50	BGAA	
COc1ccc(C=O)cc1CN(C(C)C)C(C)C	2545445	JEZNZSCGDOUWQM-UHFFFAOYSA-N	249.354	3.127	0	50	BGAA	
O=C(O)CC12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2	100243587	JLHRDMZSPPRYGL-WWAQEKKBSA-N	228.719	3.039	0	50	BGAA	in-vitro
Cc1ccc(OC(=O)Nc2ccccn2)cc1	141926779	DGOJWTZARVOMBD-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
Cc1ccc(/C=C/c2cc(C(=O)O)ccn2)cc1	170091798	NMVWYLFJOFXMJE-VOTSOKGWSA-N	239.274	3.259	0	50	BGAA	
Cc1ccc2[nH]cc(-c3cnn4cccnc34)c2c1	534662612	RPKJMRXHVZTYQY-UHFFFAOYSA-N	248.289	3.186	0	50	BGAA	
COC(=O)c1cccc2c1N(C)C(C)(C)C[C@@H]2C	616587958	BFKUNGAXLQGBSP-JTQLQIEISA-N	247.338	3.195	0	50	BGAA	
CC(=O)Nc1cc(-c2cscn2)ccc1C	1241891446	AJEQEGYMGZDSMJ-UHFFFAOYSA-N	232.308	3.077	0	50	BGAA	
Cn1c(Nc2ccc(F)cc2)nc2ccccc21	513041	BNWFJHSNGOKYBZ-UHFFFAOYSA-N	241.269	3.456	0	50	BGAA	
COC(=O)c1ccc(-c2ccsc2)cc1	2555419	NTBKCEONBLOPPY-UHFFFAOYSA-N	218.277	3.202	0	50	BGAA	in-vitro
CCCCOc1ccc2cc(C(=O)OC)[nH]c2c1	4237623	JPEZJDIXAOJSRJ-UHFFFAOYSA-N	247.294	3.133	0	50	BGAA	
Sc1cc(Br)ccc1Cl	36533066	GZYHPKOEBMNDFS-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	
c1cc(Cc2nnc3n2CCCCCC3)cs1	630951883	PPYWZDYRVZEEDR-UHFFFAOYSA-N	247.367	3.047	0	50	BGAA	
Cc1cc(Cc2ccc(N)c(C)c2)ccc1N	78247	WECDUOXQLAIPQW-UHFFFAOYSA-N	226.323	3.059	0	50	BGAA	biogenic,in-vitro
Cc1ccc2nc(C)c3c(c2c1)O[C@H](C)C3	245401	KZULBMIDVLXBEZ-SECBINFHSA-N	213.280	3.175	0	50	BGAA	biogenic
Cc1ccn2cc(-c3ccc(C=O)cc3)nc2c1	337599	FKXBBVYFFADGAN-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	
Cc1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c1	382354	IWDUSYOWKCLIHJ-GXTWGEPZSA-N	231.339	3.304	0	50	BGAA	
CC(C)(C)C(=O)Nc1ccc(Cl)cc1	401779	IZISMXMXCLUHGI-UHFFFAOYSA-N	211.692	3.325	0	50	BGAA	
CCOc1cc2oc(=O)cc(C)c2cc1CC	405845	CZYUBTYUVMGZBB-UHFFFAOYSA-N	232.279	3.063	0	50	BGAA	
CCOc1ccc2c(C)c(C)c(=O)oc2c1C	453854	MYBNBVQIKGCZIR-UHFFFAOYSA-N	232.279	3.117	0	50	BGAA	biogenic
CCCCNC(=S)Nc1cc(C)ccc1C	2231518	LOKDHKPGYXYIDU-UHFFFAOYSA-N	236.384	3.390	0	50	BGAA	
Cc1ccc(-c2ccc(Cl)nn2)cc1	2559127	MCDSGZGKYCPLMT-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	
C/C=C\C(=O)Nc1c(C)cccc1Cl	4786612	WPGRECYMRKUPQL-HYXAFXHYSA-N	209.676	3.163	0	50	BGAA	
COc1cc(C)c(-c2nc(N)sc2C)cc1C	4973720	GWWRAZUSAFMTCM-UHFFFAOYSA-N	248.351	3.326	0	50	BGAA	
COC(=O)c1ccc(SC(F)(F)F)cc1	16158240	HQJOBVILQKWFGJ-UHFFFAOYSA-N	236.214	3.085	0	50	BGAA	in-vitro
C[C@H](NC(=O)c1ccsc1)c1ccc(F)cc1	16649747	ITFOPXABEVMVSK-VIFPVBQESA-N	249.310	3.378	0	50	BGAA	
CC(C)(C)OC(=O)N1[C@@]2(C)CC=CC[C@@]12C	45069528	QMZJOLSUGGYDAC-PBWFPOADSA-N	223.316	3.105	0	50	BGAA	
COC(=O)[C@@H](CC=C(C)C)c1ccccc1	45074576	NQJMHRSHNDHWRO-ZDUSSCGKSA-N	218.296	3.300	0	50	BGAA	
Nc1ccc(F)cc1NCc1ccccc1	52119130	RMBMHNNPUYDKMS-UHFFFAOYSA-N	216.259	3.020	0	50	BGAA	
COCCSc1ccccc1Br	97109294	GWLZKNHBZXUIBY-UHFFFAOYSA-N	247.157	3.188	0	50	BGAA	
O=C1Oc2ccccc2N/C1=C/c1ccccc1	100438866	HMHVUHCRTLAWHU-JLHYYAGUSA-N	237.258	3.059	0	50	BGAA	
Cc1ccc2nc(-n3nc(C)cc3C)sc2c1	170625937	WCZDGCPMOFWFKU-UHFFFAOYSA-N	243.335	3.407	0	50	BGAA	
COCC[C@H](C)NC1(Cc2ccc(C)cc2)CC1	534672311	IMZCUWCTTQFHIH-AWEZNQCLSA-N	247.382	3.085	0	50	BGAA	
O=C(O)C[C@@H](c1ccc(F)cc1)c1ccco1	182804	BUDQOVLQTWNZHM-NSHDSACASA-N	234.226	3.025	0	50	BGAA	
CC[C@@H](Oc1ccc2ccccc2c1)C(=O)O	245871	QRVVQLDMZUSLKF-CYBMUJFWSA-N	230.263	3.082	0	50	BGAA	biogenic
Cc1cc(NC(=O)C[C@H](C)c2ccccc2)no1	318182	GMMWPQAGNMFISA-JTQLQIEISA-N	244.294	3.115	0	50	BGAA	
CCC(=O)NCc1ccc(Cl)c(Cl)c1	375263	DIAQLYQNZGJGSG-UHFFFAOYSA-N	232.110	3.020	0	50	BGAA	
Brc1cc2nc[nH]c2c2ccccc12	4037034	NOQABCGGRDYROW-UHFFFAOYSA-N	247.095	3.479	0	50	BGAA	
O=C(O)c1ccc(C23CC4CC(CC(C4)C2)C3)o1	4343442	SCAJVICIOWBOON-UHFFFAOYSA-N	246.306	3.446	0	50	BGAA	
CCOc1cc(C=O)ccc1O[C@@H](C)CC	4825332	YCPXBOGXXIEFIE-JTQLQIEISA-N	222.284	3.075	0	50	BGAA	in-vitro
CCc1ccc([C@H](C)NC(=O)c2ccco2)cc1	6731329	ISULDEYEFNRDCG-NSHDSACASA-N	243.306	3.333	0	50	BGAA	
C[C@@H](NC(=O)C(C)(C)C)c1ccc(F)cc1	12989036	XINZZXUOSBKXGD-SECBINFHSA-N	223.291	3.049	0	50	BGAA	
CC[C@H](C)N(C(=O)c1ccco1)[C@H](C)CC	16225840	OQKUNEVEBXTPQE-PHIMTYICSA-N	223.316	3.319	0	50	BGAA	
Clc1cc(Br)c(Cl)cn1	55161702	KKWPWIYBRGEYEB-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
CC(C)NCc1c(F)cccc1Br	85476942	MWVYNXRZXJLGMN-UHFFFAOYSA-N	246.123	3.086	0	50	BGAA	in-vitro
OCCCc1cccc(NCc2ccsc2)c1	136227952	QZVLLRIAZVTGTE-UHFFFAOYSA-N	247.363	3.285	0	50	BGAA	
C1=C/[C@H](Sc2ncc[nH]2)CCCCC/1	241846608	SMENVHUCOQZCTF-JTQLQIEISA-N	208.330	3.391	0	50	BGAA	
Cc1ccc(C2(N[C@H]3CCSC3)CC2)cc1	534646648	LUXLZTKHDBXUKJ-ZDUSSCGKSA-N	233.380	3.079	0	50	BGAA	
Clc1ccc(-c2cn3cccnc3n2)cc1	73562	MNORHLFOJIFIDA-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
Cc1ccc(-n2c(C)c(C=O)c(C=O)c2C)cc1	314510	NQTLAVIKBDNCOB-UHFFFAOYSA-N	241.290	3.028	0	50	BGAA	
CCOc1ccccc1C(=O)NC1CCCCC1	362191	UZEQTXVRQNHELM-UHFFFAOYSA-N	247.338	3.148	0	50	BGAA	
O=C(CCC1CCCC1)NC1CCCCC1	362311	FSIZCSALGIJQPE-UHFFFAOYSA-N	223.360	3.406	0	50	BGAA	
O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)o1	404824	LDPBTGBWTUWCBU-UHFFFAOYSA-N	237.258	3.302	0	50	BGAA	in-vitro
Cc1ccccc1-c1nnc(-c2ccco2)o1	438328	YMJXPGQMJRCACX-UHFFFAOYSA-N	226.235	3.305	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)c2ccco2)cc1C	1054249	QGAASQAWLPKMAC-GFCCVEGCSA-N	243.306	3.387	0	50	BGAA	
c1ccc(OCCOc2ccccc2)cc1	1866993	XCSGHNKDXGYELG-UHFFFAOYSA-N	214.264	3.144	0	50	BGAA	
CCCCN(C)Cc1ccnc2ccccc12	2494729	GBFIJNUFPUUOER-UHFFFAOYSA-N	228.339	3.467	0	50	BGAA	
COc1ccc(-c2nc3ccc(N)cc3o2)cc1	3160292	UIZKXQAHFXUDIX-UHFFFAOYSA-N	240.262	3.086	0	50	BGAA	
COc1ccccc1NC(=O)CC1CCCC1	3481846	LCPNAJBBEAJGDL-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
Cc1cc(OCCN(C)C)cc(C(C)C)c1	4913103	QWXYYTLLPZMARV-UHFFFAOYSA-N	221.344	3.059	0	50	BGAA	
Cc1ccc(/C=C/Cn2nnc3ccccc32)cc1	5539916	VHPPOTQJHSXZNL-SNAWJCMRSA-N	249.317	3.453	0	50	BGAA	
Cc1ccccc1CC(=O)Nc1ccccc1F	6700331	FKTACXDHLMQPRE-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
COC(=O)c1ccccc1-c1ccccc1	13809591	WNAFVJVEADYQAI-UHFFFAOYSA-N	212.248	3.140	0	50	BGAA	in-vitro
O=C(O)c1ccc(Cl)c2ccccc12	39278608	SHCCGXNIGGRSMX-UHFFFAOYSA-N	206.628	3.191	0	50	BGAA	in-vitro
Cc1cccc2ccc(Br)nc12	65337472	LGBSPUHZUXLUSJ-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
CCC[C@@H](C(=O)c1cccs1)N1CCCC1	95705103	OOSRPGUQJAKBLV-NSHDSACASA-N	237.368	3.195	0	50	BGAA	in-vitro
O=Cc1sc2c(c1Br)CCCC2	96032202	LOSWRUFQYSAVEF-UHFFFAOYSA-N	245.141	3.202	0	50	BGAA	
Clc1ncnc2c3c(ccc12)CCCC3	160100563	FPGHYUIZVHQUQY-UHFFFAOYSA-N	218.687	3.162	0	50	BGAA	
CC(C)(C)Cc1ccc2c(c1)[C@@H](O)CCO2	164781121	UDVHACDNVNMROD-LBPRGKRZSA-N	220.312	3.091	0	50	BGAA	
Cc1cnc(C)c(N2CCC3(CCCC3)CC2)n1	170595522	PUJPHLMRRLNCBJ-UHFFFAOYSA-N	245.370	3.254	0	50	BGAA	
Fc1cccc2[nH]cc([C@H]3CCCOC3)c12	255190331	WMMNWMAQBAFXPD-VIFPVBQESA-N	219.259	3.201	0	50	BGAA	
COC(=O)c1c(C)[nH]c(C)c1-c1ccc(C)cc1	62205	YPFVCLDHXMFUMX-UHFFFAOYSA-N	243.306	3.394	0	50	BGAA	
c1ccc2[nH]c(SCc3cscn3)nc2c1	80328	GQTBJJZJMACYFC-UHFFFAOYSA-N	247.348	3.312	0	50	BGAA	
CC[C@H](c1ccccc1)[C@H](C)OC(C)=O	390807	SYIRNRZUHYNSKR-GWCFXTLKSA-N	206.285	3.132	0	50	BGAA	
CC(C)CNC(=O)Nc1ccccc1Cl	396668	NKXSJWRYKKVTEG-UHFFFAOYSA-N	226.707	3.118	0	50	BGAA	
Clc1ccc([C@@H]2OCCS2)cc1	2015582	SZAPXYMTZBFEND-SECBINFHSA-N	200.690	3.102	0	50	BGAA	
CCCCN(CC)C(=O)[C@H](C)Oc1ccccc1	2743599	BPNXTEXRSNIOIG-ZDUSSCGKSA-N	249.354	3.103	0	50	BGAA	
CCn1cc(C(=O)c2ccco2)c2ccccc21	2866480	LOBIUSRGQBOOKX-UHFFFAOYSA-N	239.274	3.485	0	50	BGAA	
CC[C@@](C)(O)c1ccc(Br)cc1	3137269	NJHFESJPVIPUEY-SNVBAGLBSA-N	229.117	3.067	0	50	BGAA	
Cc1cccc(NC(=S)N2CCCCC2)c1	6491035	DFNRVNDJBYIVCS-UHFFFAOYSA-N	234.368	3.178	0	50	BGAA	
CCC(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C	6699343	YALNGVQVNBYWBB-WDEREUQCSA-N	211.349	3.118	0	50	BGAA	
CCOC(=O)Nc1nc2c(C)cccc2s1	16602515	MULIROJBYBXGDB-UHFFFAOYSA-N	236.296	3.173	0	50	BGAA	
CN1CC[C@H](c2cccc3ccccc23)C1	96026480	VOONEJCSBBMEIF-ZDUSSCGKSA-N	211.308	3.259	0	50	BGAA	
O=C1Cc2ccccc2Cc2ccccc21	113917747	MGHDAAZPFFNACM-UHFFFAOYSA-N	208.260	3.016	0	50	BGAA	
Cc1nn(C)c(C)c1CN(C)[C@H]1CCC(C)(C)C1	344497719	MFCPDLPVZQMEEO-ZDUSSCGKSA-N	249.402	3.047	0	50	BGAA	
O=C(NC1CCCCC1)c1cccc(Cl)c1	29715	OVLRIRXRCDDACZ-UHFFFAOYSA-N	237.730	3.403	0	50	BGAA	
CC(C)c1ccc(OCC(=O)NC(C)(C)C)cc1	303258	RSWVFFAYDIWPPE-UHFFFAOYSA-N	249.354	3.104	0	50	BGAA	
Cc1c(C(=O)O)c(C)n(C)c1-c1ccccc1	387934	KNTRJGNNOUVCOH-UHFFFAOYSA-N	229.279	3.007	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1cccc(Cl)c1	1226886	JAKSUJDWQPNXFP-QMMMGPOBSA-N	226.707	3.260	0	50	BGAA	
COc1ccc2nc(Cl)c(C)cc2c1	2577919	TVLTWDTZDXOKCD-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)C2CCCC2)cc1F	3017840	YYHOOEIXFHFCJR-UHFFFAOYSA-N	221.275	3.263	0	50	BGAA	
CC(=O)Nc1ccc(O)c(-c2ccccc2)c1	5160691	LXMKOQSEWRFPJH-UHFFFAOYSA-N	227.263	3.018	0	50	BGAA	
CC[C@@H](O)c1ccc(C(F)(F)F)cc1	8698402	DSPWVWRWAPFFNC-SECBINFHSA-N	204.191	3.149	0	50	BGAA	in-vitro
C[C@H]1CCCN(c2ccc(Cl)cc2N)C1	8702469	VYHAURUAZMRZFE-VIFPVBQESA-N	224.735	3.159	0	50	BGAA	in-vitro
CC(C)Oc1cc2ccccc2cc1C(=O)O	16575608	VWMJRHSMOPFAOH-UHFFFAOYSA-N	230.263	3.325	0	50	BGAA	
c1coc(CNCCc2c[nH]c3ccccc23)c1	19376027	FELGUJHGLNZYPV-UHFFFAOYSA-N	240.306	3.093	0	50	BGAA	
Fc1ccc(Br)c2cccnc12	38537333	KXPOUFUCFZQOQE-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
CCCCCCN(N)CCCCCC	71773056	HYRPLOVLRXZKMI-UHFFFAOYSA-N	200.370	3.323	0	50	BGAA	
COC(=O)c1ccc(Cl)c(OCC(C)C)c1	97756800	CZSIYGVDJMNERJ-UHFFFAOYSA-N	242.702	3.161	0	50	BGAA	
O=COc1c(Cl)cc(Cl)cc1Cl	113112391	YSUDXADDVAYVNS-UHFFFAOYSA-N	225.458	3.182	0	50	BGAA	in-vitro
Oc1cncc(-c2cc3ccccc3o2)c1	132107221	KUEKOSHYTDDPSR-UHFFFAOYSA-N	211.220	3.200	0	50	BGAA	
CC(C)c1ccc(C(F)(F)F)cc1N	147864737	ZCRWGKRUHQWWSF-UHFFFAOYSA-N	203.207	3.411	0	50	BGAA	
CN1CCCC[C@@H]1CCc1cccs1	200493541	VJIPUAKSTJVNAJ-LLVKDONJSA-N	209.358	3.165	0	50	BGAA	
Cc1cc([C@@H](C)NCCc2ccccn2)oc1C	225732147	QWEWXAWWLVHRMX-GFCCVEGCSA-N	244.338	3.185	0	50	BGAA	
CC(C)[C@H]1CCC(=O)C[C@H]1OC(C)(C)C	725359559	DMILFRQBAGRILC-VXGBXAGGSA-N	212.333	3.195	0	50	BGAA	
O=NC=C1C=CC=CN1Cc1ccccc1	1857525274	XUFIVYXNMKNXSC-UHFFFAOYSA-N	212.252	3.180	0	50	BGAA	
COc1cccc([C@H](O)c2cccc(C)c2)c1	4267965	GZERNPXBXFCTLY-OAHLLOKOSA-N	228.291	3.085	0	50	BGAA	
O=C(O)c1ccccc1-c1ccsc1	4299329	FRQNAMNFPWSQAW-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	
Cn1c(CCc2ccccc2)nc2ccccc21	4385568	BJEBITQKQIZIMH-UHFFFAOYSA-N	236.318	3.359	0	50	BGAA	
CCc1cccc(NC(=O)c2c(C)noc2C)c1	5465195	LENNIIZDWXQQKT-UHFFFAOYSA-N	244.294	3.106	0	50	BGAA	
CCCCOc1ccc(F)c(F)c1F	44830773	SUQVNOJYWQZVTN-UHFFFAOYSA-N	204.191	3.283	0	50	BGAA	
NC1(c2ccc(Cl)cc2Br)CC1	44831791	VMXWNLSSUMAVFQ-UHFFFAOYSA-N	246.535	3.050	0	50	BGAA	
COc1ccc(C)c(-c2cccc(C(=O)O)c2)c1	65336961	FSAOEULORUYGOB-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
O=C(O)c1ccc(Cc2cccc(F)c2)cc1	91304745	SJHWVLADKRXQQR-UHFFFAOYSA-N	230.238	3.115	0	50	BGAA	in-vitro
Oc1ccc(Br)c2c1CCCC2	95099734	XPHVUDIPGRRASW-UHFFFAOYSA-N	227.101	3.034	0	50	BGAA	
Cc1sc2ccc(F)cc2c1C(=O)O	222327908	RKIAKSQHBQOUOT-UHFFFAOYSA-N	210.229	3.047	0	50	BGAA	
OC1(c2ccc(Cl)c(Br)c2)CC1	236472326	BNJJZRJEDPWNLW-UHFFFAOYSA-N	247.519	3.084	0	50	BGAA	
Oc1nccc2ccc(-c3cccnc3)cc12	675082782	ICKRXIFCUKAOGN-UHFFFAOYSA-N	222.247	3.002	0	50	BGAA	
c1ccc(CSc2nc3ccccc3[nH]2)nc1	50235	PLITYYGQMDTHMM-UHFFFAOYSA-N	241.319	3.250	0	50	BGAA	
FC(F)(F)c1cc(Cl)c2[nH]cnc2c1	90518	MKRPZDBFYQLJPO-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	in-vitro
O=C(c1ccccc1Cl)N1CCCCCC1	126073	SONJOLVUQSJDFQ-UHFFFAOYSA-N	237.730	3.356	0	50	BGAA	
C[C@H](CCc1ccccc1)NCc1ccncc1	279511	YISYWSYTOXIDOU-CQSZACIVSA-N	240.350	3.193	0	50	BGAA	
O=Cc1ccc(-c2cccc(F)c2)cc1	1260071	GUECWHQTSREAMT-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	
CC(C)c1ccc(-c2n[nH]c(=S)n2C)cc1	2526668	IDGXTEBIKJEDRP-UHFFFAOYSA-N	233.340	3.268	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1ccccc1F	2526740	AUHNQFOFWVWFTH-UHFFFAOYSA-N	211.236	3.173	0	50	BGAA	in-vitro
O=C(O)c1cc(-c2ccccc2F)ccc1F	47204158	YHAAEKUKRQEETK-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
CCC(=O)N(CC)C12CC3CC(CC(C3)C1)C2	126373199	QDISCEGMHLJYRS-UHFFFAOYSA-N	235.371	3.214	0	50	BGAA	
CC[C@H](N[C@@H](C)c1ccc(C(C)C)cc1)C(=O)O	134945226	GNMIQLPRJHMTLV-FZMZJTMJSA-N	249.354	3.324	0	50	BGAA	
c1nc(CN2CCCC[C@@H]2C2CCC2)cs1	585089107	RNPUWMBPJMSNDP-CYBMUJFWSA-N	236.384	3.298	0	50	BGAA	
Cc1nsc(N2CC3CCCC2CCC3)n1	2325807930	KFYJBYPLKYKXBO-UHFFFAOYSA-N	237.372	3.006	0	50	BGAA	
Cc1cnc(-c2ccc(Br)cc2)nc1	246381	BSUNLHHGZSFMOP-UHFFFAOYSA-N	249.111	3.215	0	50	BGAA	
O=C(O)c1cccc(Oc2ccccc2)c1	284966	NXTDJHZGHOFSQG-UHFFFAOYSA-N	214.220	3.177	0	50	BGAA	endogenous,in-man
CCN(CC)C(=O)c1ccc(C)c(Cl)c1	315862	CCMSDBZNFXFJER-UHFFFAOYSA-N	225.719	3.130	0	50	BGAA	
Cc1cc(C)cc(C(=O)NCc2cccs2)c1	1054684	YWOBKWLGFLXQEZ-UHFFFAOYSA-N	245.347	3.295	0	50	BGAA	
COc1ccccc1Oc1ccccc1N	1713877	HIVNAQYUIBLEHZ-UHFFFAOYSA-N	215.252	3.070	0	50	BGAA	
CCC[C@H](C)C(=O)N(CC)Cc1ccccc1	2739466	VOOOQZLIMXBFLI-ZDUSSCGKSA-N	233.355	3.471	0	50	BGAA	
O=C(CCN1CCCCCC1)c1ccccc1	3631331	GAWIINVGWPHVKR-UHFFFAOYSA-N	231.339	3.135	0	50	BGAA	
FC(F)(F)c1cccc2c1CCCN2	8699730	ANAKGDXHTHSQBX-UHFFFAOYSA-N	201.191	3.064	0	50	BGAA	in-vitro
Fc1cc(F)cc(NCc2ccco2)c1	19961691	BPCUOVDITYQFRF-UHFFFAOYSA-N	209.195	3.170	0	50	BGAA	
O=C(Nc1ccccc1-c1cccnc1)C1CC1	65529464	WAHHMDCXJHCYRX-UHFFFAOYSA-N	238.290	3.097	0	50	BGAA	
CCC/C=C/c1ccc(C2(O)CCNCC2)cc1	67654191	IDENCUVSXABIEH-SNAWJCMRSA-N	245.366	3.071	0	50	BGAA	
COC(=O)c1cc(-c2ccsc2)ccc1F	97757145	ZMLSIVYXNAWOIK-UHFFFAOYSA-N	236.267	3.341	0	50	BGAA	
Nc1ccc(OC(F)F)c(Cl)c1Cl	263624948	VLHLITSCGUUEQB-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
O=C(O)Cc1ccc(/C=C/C2CCCCC2)nc1	534676085	YQLDFMHAEKKVLE-SOFGYWHQSA-N	245.322	3.302	0	50	BGAA	
c1cc(CNc2ccc3c(c2)CCCC3)no1	651254919	JNONAHSHQBOAOV-UHFFFAOYSA-N	228.295	3.166	0	50	BGAA	
CC(C)N(C(=O)Nc1ccccc1)C(C)C	292818	PWLKEIDJQXTQCX-UHFFFAOYSA-N	220.316	3.337	0	50	BGAA	
CCN(Cc1ccccc1)Cc1cccnc1	761390	LLCVOCKWBRMDOI-UHFFFAOYSA-N	226.323	3.104	0	50	BGAA	
O=C1c2ccccc2CCc2ccccc21	1681580	BMVWCPGVLSILMU-UHFFFAOYSA-N	208.260	3.016	0	50	BGAA	in-vitro
Nc1cc(Cl)ccc1Oc1cccnc1	2538774	VHYPYHTUANYJEQ-UHFFFAOYSA-N	220.659	3.110	0	50	BGAA	in-vitro
CCc1nc2c(C)ccc(C)c2c(N)c1C	5092817	JTGPGFDNMYYICX-UHFFFAOYSA-N	214.312	3.305	0	50	BGAA	
Fc1nccc(Br)c1C(F)(F)F	67802800	YXFXSFBFEPFSAK-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CC(C)(C)OC(=O)N1[C@@]2(C)CC=CC[C@]12C	101042723	QMZJOLSUGGYDAC-STQMWFEESA-N	223.316	3.105	0	50	BGAA	
CCCCC[S@@](=O)c1cccs1	191197836	AYEAUGIRQZLBLF-GFCCVEGCSA-N	202.344	3.046	0	50	BGAA	
Cn1cnc2cc(C(F)(F)F)cc(Cl)c21	200840796	KMNBZPCUCXJWCE-UHFFFAOYSA-N	234.608	3.246	0	50	BGAA	
CC(C)Oc1c(Cl)cc(O)cc1Cl	238206549	FMYPDYQGLVKKKP-UHFFFAOYSA-N	221.083	3.486	0	50	BGAA	
CC(C)COc1nccc(Cl)c1Cl	261493604	FQUPJWWMBIBZHZ-UHFFFAOYSA-N	220.099	3.423	0	50	BGAA	
CCc1ccc(CN(C)c2nccs2)cc1	920960426	MNKZIGVUMYDZAI-UHFFFAOYSA-N	232.352	3.342	0	50	BGAA	
C=CC(=O)N(Cc1cc2c(s1)CCC2)C(C)C	1875365980	GDZPGEXASJEAJB-UHFFFAOYSA-N	249.379	3.160	0	50	BGAA	
C=CC(=O)OC1CCC(C(C)(C)C)CC1	57085	LAIJAUHBAWLPCO-UHFFFAOYSA-N	210.317	3.321	0	50	BGAA	
c1ccc([C@@H]2C[C@H]3C[C@H](c4ccco4)N2O3)cc1	173915	BTDMDCMAYSCHMS-MELADBBJSA-N	241.290	3.472	0	50	BGAA	
Cc1ccc(CNC(=O)c2ccc(C)s2)cc1	1000850	VCJSPBVTNTYGMS-UHFFFAOYSA-N	245.347	3.295	0	50	BGAA	
Cc1ccc(N2Cc3ccccc3C2=O)cc1	3995541	WLFCMWZKAJJZMR-UHFFFAOYSA-N	223.275	3.155	0	50	BGAA	
COc1cccc(-n2ccnc2C2CC2)c1Cl	77406504	FOMVYOPJHOPZME-UHFFFAOYSA-N	248.713	3.412	0	50	BGAA	
CC(C)(C)[Si](C)(C)c1ccc2cn[nH]c2c1	169746421	VZHBMVZWNVZTFA-UHFFFAOYSA-N	232.403	3.278	0	50	BGAA	in-vitro
C[C@@H]1CC(C)(C)C[C@H]1NCCc1cscn1	192391332	ZCANNTWZCNKBDG-ZYHUDNBSSA-N	238.400	3.100	0	50	BGAA	
c1nc2cc(-c3ccc4c(c3)OCO4)ccc2o1	1240899490	ZNPHOKICVNELML-UHFFFAOYSA-N	239.230	3.224	0	50	BGAA	
CC(=O)c1ccc(F)cc1C(F)(F)F	157365	WBCCAINPZLAKRN-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	in-vitro
CCC(CC)NCc1c[nH]c2ccccc12	263400	JNRHKIDNQYRACF-UHFFFAOYSA-N	216.328	3.446	0	50	BGAA	
CCc1ccccc1NC(=O)N1CCCCC1	396988	VKAPYFRPMKPKTM-UHFFFAOYSA-N	232.327	3.267	0	50	BGAA	
O=C(O)COc1ccc(C2CCCCC2)cc1	406196	FODXAKQIZRQXBS-UHFFFAOYSA-N	234.295	3.198	0	50	BGAA	
CCC[C@H](C)C(=O)N1CCCC[C@@H]1CC	443936	GKWKSBISNZDDNJ-RYUDHWBXSA-N	211.349	3.214	0	50	BGAA	
C/C(Cl)=C\CN[C@@H](C)c1ccccc1	794179	KLLJRHWVXBUIJY-UQSGXBNBSA-N	209.720	3.480	0	50	BGAA	
CC(C)Oc1cc(N)c(Cl)cc1Cl	1388877	RWRWIICNMOKBIQ-UHFFFAOYSA-N	220.099	3.363	0	50	BGAA	
Fc1ccccc1CN1CCCCCC1	4978718	BWEXQNMZSQNIDU-UHFFFAOYSA-N	207.292	3.202	0	50	BGAA	
Cc1ccc(C(C)(C)C[C@H](C)NC2CC2)o1	22077613	AMCSADWBUNPKTE-JTQLQIEISA-N	221.344	3.396	0	50	BGAA	
CC(C)=CCC[C@H](C)CN1CCC[C@@H](CO)C1	23281348	FWFISHFNIWPLMS-LSDHHAIUSA-N	239.403	3.073	0	50	BGAA	
CC(C)(C)OC(=O)NCc1c[nH]c2ccccc12	44185555	VEHKDBGCOVLARX-UHFFFAOYSA-N	246.310	3.193	0	50	BGAA	in-vitro
O=C1CCc2cc(-c3cccc4ccnn34)ccc21	72157318	PQEJAOADYBLMPI-UHFFFAOYSA-N	248.285	3.130	0	50	BGAA	
COc1ccc(-c2cccc(C(=O)O)c2F)cc1	85477277	QTWAXSYIEXLMIS-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Cc1cc2c(s1)Nc1ccccc1N=C2N	100005589	ZTTWQKYKGNLCCA-UHFFFAOYSA-N	229.308	3.151	0	50	BGAA	in-vitro
Cn1cnc2cc(OCc3ccccc3)ccc21	198955178	YPQOZSUXATYKAY-UHFFFAOYSA-N	238.290	3.152	0	50	BGAA	
Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1	225276082	XSXCVLVHQBFNBI-KCQAQPDRSA-N	243.350	3.222	0	50	BGAA	
O=Cc1ccc(Br)c(F)c1Cl	258159503	FTBHXXCQCOAUJZ-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
O=C(O)c1c(-c2cccs2)noc1C(F)F	675057391	FSEIOQIAEDPWFF-UHFFFAOYSA-N	245.206	3.039	0	50	BGAA	
O=C(CCCC1CC1)Nc1ccc(Cl)nc1	812458506	IVKRPZSTWXVDTF-UHFFFAOYSA-N	238.718	3.254	0	50	BGAA	
Cc1ccc(-c2cc3c(cc2C)OCO3)cn1	1875316121	WFUNMOPNLZONSB-UHFFFAOYSA-N	227.263	3.094	0	50	BGAA	
O=C(Cc1ccccc1)NC1CCCCCC1	101330	IKDDAVDBEXNFOZ-UHFFFAOYSA-N	231.339	3.068	0	50	BGAA	
CC[n+]1ccc(/C=C/c2cccs2)cc1	396336	PFYVQNPIHVLHEC-AATRIKPKSA-N	216.329	3.226	0	50	BGAA	
O=C(Nc1ccc(Cl)c(Cl)c1)NC1CC1	409629	NLYIKMDIDIXUAH-UHFFFAOYSA-N	245.109	3.277	0	50	BGAA	
O[C@@H](c1ccccc1)c1cc(F)cc(F)c1	4254952	MZBBRGLZQRMJPL-ZDUSSCGKSA-N	220.218	3.047	0	50	BGAA	
CC[C@H](O)c1ccccc1C(F)(F)F	15443000	XTXLAKQKGNTWSR-VIFPVBQESA-N	204.191	3.149	0	50	BGAA	
COC(=O)C(C)(C)c1ccc(C(F)(F)F)cc1	38313821	ZIIRSEIPZKDSQH-UHFFFAOYSA-N	246.228	3.156	0	50	BGAA	in-vitro
Cc1cccc(OCCCNCCC(C)C)c1	41626139	FDUFXXCNCBAJPG-UHFFFAOYSA-N	235.371	3.400	0	50	BGAA	
O=c1cc(-c2ccccc2)c2c(O)cccc2o1	71773442	UFQPJWYUZLIVMI-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	
C[C@]12Oc3ccccc3[C@H]1COc1ccccc12	71778193	OBFBQUXBXYBNCD-CZUORRHYSA-N	238.286	3.470	0	50	BGAA	
Cc1ccc2c(c1Br)NCCC2	131565337	NUKBSJVSMIPAAG-UHFFFAOYSA-N	226.117	3.116	0	50	BGAA	
CCC/C=C/c1ncc(F)c(N2CCCC2)n1	426661185	GJNMXYYMOHXMHU-QPJJXVBHSA-N	235.306	3.029	0	50	BGAA	
CCOc1ccc(N)c2c1C(C)(C)C[C@H]2C	669374172	AEJBXNKNZSNAEE-SECBINFHSA-N	219.328	3.452	0	50	BGAA	
Cc1ccc(CNC(=O)c2ccccc2F)cc1	235910	HSGKNKCLEJDUCN-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
Cc1ccc(NC(=O)C2CCCC2)cc1C	253656	PNJOUMBFOPZWMA-UHFFFAOYSA-N	217.312	3.432	0	50	BGAA	
FC(F)(F)c1ccc(C(F)(F)F)o1	2566563	ULGLWGFLVRSWIF-UHFFFAOYSA-N	204.069	3.317	0	50	BGAA	
COc1ccc(CNC2CCCCC2)cc1	4196466	XBULMJLIEXHYQR-UHFFFAOYSA-N	219.328	3.118	0	50	BGAA	
Cc1cc(-c2nc3ccccc3o2)ccc1N	4413694	ABVMKKSXLVXFQL-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
CCc1ccc(CCC(=O)NC2CCCC2)cc1	10325175	XALDKHXMEOIMJO-UHFFFAOYSA-N	245.366	3.240	0	50	BGAA	
CCc1c(C)sc2ncnc(Cl)c12	19092621	SDTNZUUFPBXYEW-UHFFFAOYSA-N	212.705	3.216	0	50	BGAA	in-vitro
O=C(O)[C@@H](c1ccccc1)[C@@H]1C=CCCC1	34539332	LOSBWJVOKBTXJJ-OLZOCXBDSA-N	216.280	3.211	0	50	BGAA	
NCc1ccc(Nc2noc3ccccc23)cc1	35287375	CYDPSHVPEJBKGM-UHFFFAOYSA-N	239.278	3.030	0	50	BGAA	in-vitro
CCn1nc(C2CCCC2)nc1-c1ccncc1	91460371	ACYFIOVWITZLFV-UHFFFAOYSA-N	242.326	3.018	0	50	BGAA	
COC(=O)Cc1ccc(-c2cccc(C)c2)cc1	97757197	RENHJCMEQMOGMQ-UHFFFAOYSA-N	240.302	3.378	0	50	BGAA	
Clc1cc2c(cc1Cl)NCCC2	167662297	JOVVXQGVCSDDOH-UHFFFAOYSA-N	202.084	3.352	0	50	BGAA	
CC(=O)c1ccc(Oc2cccc(C)c2)nc1	212850163	BTCKYKKYRXVXJZ-UHFFFAOYSA-N	227.263	3.385	0	50	BGAA	
Cc1ccccc1NC(=O)[C@@H]1[C@H]2CCCC[C@H]21	245377370	KDKAQQOPQDYKCS-IMRBUKKESA-N	229.323	3.370	0	50	BGAA	
Fc1nc(OCc2ccccc2)ccc1Cl	261493923	LZJOMZVOXDYESA-UHFFFAOYSA-N	237.661	3.453	0	50	BGAA	
O=C(O)c1ccc(-c2ccccc2Cl)o1	280585	PJGGWIHXGHQXMM-UHFFFAOYSA-N	222.627	3.298	0	50	BGAA	in-vivo
CCCCSCc1ccc(C(=O)O)o1	2324471	UOUUMCATHZMDCA-UHFFFAOYSA-N	214.286	3.011	0	50	BGAA	in-vitro
CCc1ccc(OCCCN2CCCC2)cc1	2900995	QFIBBWHTCOWEHS-UHFFFAOYSA-N	233.355	3.114	0	50	BGAA	
NC(=S)N(c1ccccc1)c1ccccc1	5933775	FPZXQVCYHDMIIA-UHFFFAOYSA-N	228.320	3.068	0	50	BGAA	in-vitro
CCCC(=O)Nc1cccc2nc(C)ccc12	6703110	NNWAEJKPKAOEAX-UHFFFAOYSA-N	228.295	3.282	0	50	BGAA	
CCC(=O)Nc1cccc(O[C@@H](C)CC)c1	10715414	FHIRAEGSHUBAFN-JTQLQIEISA-N	221.300	3.212	0	50	BGAA	
CCCNC(=O)N[C@@H](C)c1ccc(Cl)s1	13745084	HQMZJQSULJGOFD-ZETCQYMHSA-N	246.763	3.172	0	50	BGAA	
CCCc1ccc(C(=O)N2CCCCC2)cc1	16580424	SZVBMQNUCTYOGL-UHFFFAOYSA-N	231.339	3.265	0	50	BGAA	
CC(C)Cn1c(=S)[nH]c2ccccc21	17744601	PDEPCYZELSULEW-UHFFFAOYSA-N	206.314	3.355	0	50	BGAA	
Cc1n[nH]cc1-c1ccc(Cl)cc1F	725272622	SGLSQQFOXNDKCE-UHFFFAOYSA-N	210.639	3.178	0	50	BGAA	
c1ccc(OCc2nc3ccccc3[nH]2)cc1	31304	XATKRQREMKIRLA-UHFFFAOYSA-N	224.263	3.142	0	50	BGAA	in-vitro
CCOC(=O)N1c2ccccc2C=C[C@H]1OCC	56463	GKQLYSROISKDLL-CYBMUJFWSA-N	247.294	3.039	0	50	BGAA	in-vitro
O=C(O)C1(c2ccc(Cl)cc2)CCCC1	119473	QJNFJEMGWIQMJT-UHFFFAOYSA-N	224.687	3.236	0	50	BGAA	in-vitro
Nc1ccc(Sc2ccc(N)cc2)cc1	225617	ICNFHJVPAJKPHW-UHFFFAOYSA-N	216.309	3.002	0	50	BGAA	biogenic,in-vitro
COc1cccc(CN[C@H]2CCCC[C@H]2C)c1	293171	ZPCKFKYWLQCLJV-DOMZBBRYSA-N	233.355	3.364	0	50	BGAA	
COC(=O)c1ccc(-c2ccc(OC)cc2)cc1	1258464	YJOVQAHQGZBWIU-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
CNCCCOc1ccc2ccccc2c1Cl	2845261	WRLLLWMMGNRVDF-UHFFFAOYSA-N	249.741	3.482	0	50	BGAA	
Clc1nc2ccccc2nc1-c1ccccn1	34570814	XREBXTNLPCVMQI-UHFFFAOYSA-N	241.681	3.345	0	50	BGAA	
NC1=Nc2ccccc2[C@H](c2ccccc2)S1	39602982	RBWRQOWMMKMFQO-ZDUSSCGKSA-N	240.331	3.469	0	50	BGAA	
N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F	45206692	SMXFZIKBUKWJGE-ZETCQYMHSA-N	243.150	3.268	0	50	BGAA	in-vitro
CCCCn1nc(C(F)(F)F)cc1Cl	85019364	KDVNVNPGCSTXCC-UHFFFAOYSA-N	226.629	3.355	0	50	BGAA	
CC(C)n1ccc2c(Cl)nc(Cl)nc21	95743277	CSWRJCCGUUJABM-UHFFFAOYSA-N	230.098	3.319	0	50	BGAA	
C1CC[C@H](c2noc(C3CCC3)n2)SC1	225600936	PSLAZMQGUJDOTI-SECBINFHSA-N	224.329	3.295	0	50	BGAA	
CCOCc1cc(F)ccc1Br	230531982	BPZKXKVVSCWVJH-UHFFFAOYSA-N	233.080	3.125	0	50	BGAA	
Cc1c(C(F)(F)F)ccc2c1NCCC2	238517339	SQDNRVULAVKUKS-UHFFFAOYSA-N	215.218	3.372	0	50	BGAA	
C1=C(c2cccc(-n3cncn3)c2)CCCC1	1875341853	KWIHYEQXYLOFMK-UHFFFAOYSA-N	225.295	3.225	0	50	BGAA	
O=C(Nc1ccncc1)Nc1ccc(Cl)cc1	40543	AAVUKLGYVIGYKQ-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	
COc1ccccc1C(=O)Cc1ccccc1	1686376	VBVGAAXWZUZNNE-UHFFFAOYSA-N	226.275	3.121	0	50	BGAA	
Cc1cccc(-c2ccc(C=O)cn2)c1C	2527581	DUVJYKDWGONFFQ-UHFFFAOYSA-N	211.264	3.178	0	50	BGAA	in-vitro
CCCCNCCOc1ccc(C)c(C)c1	2930947	IQUSSYACPVWAQS-UHFFFAOYSA-N	221.344	3.072	0	50	BGAA	
OCc1cc2ccc1CCc1ccc(cc1)CC2	3122320	DBZFLKMLGVAMTF-UHFFFAOYSA-N	238.330	3.063	0	50	BGAA	
CN(C)CCOc1ccc(Cl)c2ccccc12	4913526	OKNZFNMDKOKGQX-UHFFFAOYSA-N	249.741	3.434	0	50	BGAA	
CC(=O)c1ccc(C(F)(F)F)c(F)c1F	36533709	RRICBVAPDZGCHB-UHFFFAOYSA-N	224.128	3.186	0	50	BGAA	in-vitro
CSCc1ccc(Br)cc1	39250540	LLPNXJABBMDPRZ-UHFFFAOYSA-N	217.131	3.312	0	50	BGAA	in-vitro
Oc1ccccc1-c1ccc(F)cc1F	41662801	FDUOWQHPBXVJSZ-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	
NCC[C@H](Cc1ccccc1)c1ccccc1	43559421	XKCBWDLCZBXXSL-MRXNPFEDSA-N	225.335	3.362	0	50	BGAA	
COc1cc(C)c(SC)cc1Br	44125271	IGGLUTIHNJIZFB-UHFFFAOYSA-N	247.157	3.488	0	50	BGAA	
CCCc1cncnc1-c1cc(C)ccc1OC	67894651	OHGAPXIZXCBXRP-UHFFFAOYSA-N	242.322	3.413	0	50	BGAA	
N#Cc1ccc2[nH]c([C@H]3C[C@@H]4C=C[C@H]3C4)nc2c1	74343836	FZGSLBKCDAEQNE-USWWRNFRSA-N	235.290	3.114	0	50	BGAA	
CSc1ccc(C)cc1Br	85483679	OQBULZJJEUYDNH-UHFFFAOYSA-N	217.131	3.479	0	50	BGAA	in-vitro
c1ccc(-c2cncc(-c3ncc[nH]3)c2)cc1	222894913	BUBGXKSDUNPIHC-UHFFFAOYSA-N	221.263	3.139	0	50	BGAA	
COc1ccc2c(c1)[C@H]1C=C[C@H]2[C@H]2C=C[C@H]21	247955557	OBFXLUZQOMFZHE-CZXHOFHRSA-N	210.276	3.248	0	50	BGAA	
ClC1(Cl)[C@H]2[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C[C@H]21	254479933	BIINRMZJEXKKCL-AZDAQJLHSA-N	215.123	3.248	0	50	BGAA	
CC(C)COc1cc(O)cc(Br)c1	261494352	VOULKFJJMYORMP-UHFFFAOYSA-N	245.116	3.190	0	50	BGAA	
Cc1nc(C)c(-c2ccc([C@@H](C)N(C)C)cc2)[nH]1	426436831	YGDXFVAHRFKEQE-LLVKDONJSA-N	243.354	3.316	0	50	BGAA	
C=CC(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1	863971267	MEISVLBLZMKTSE-HNNXBMFYSA-N	241.334	3.316	0	50	BGAA	
CNc1nc(Nc2ccc(C)cc2)ncc1Cl	1616030935	IBGFGISNMGAQPL-UHFFFAOYSA-N	248.717	3.224	0	50	BGAA	
O=C(Nc1nccs1)c1cccc(Cl)c1	172025	NOMZNVWAQDPGIC-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
COc1ccc(-c2cn3ccsc3n2)cc1	181978	DHZNOEONHMHDQZ-UHFFFAOYSA-N	230.292	3.071	0	50	BGAA	
CCOc1ccc2nc(Cl)c(C=O)cc2c1	287818	BNLBYGHJJYCBEJ-UHFFFAOYSA-N	235.670	3.099	0	50	BGAA	in-vitro
COC(=O)NC(c1ccccc1)c1ccccc1	373810	CDSSYNXBUGMMSV-UHFFFAOYSA-N	241.290	3.132	0	50	BGAA	
CCOC(OCC)[C@@H]1C[C@H]1c1ccccc1	401588	XDFRERJYVKNAFM-QWHCGFSZSA-N	220.312	3.189	0	50	BGAA	in-vitro
Cc1ccc(Sc2ccc(CO)o2)cc1	470141	YKLFTJDKBHFSGD-UHFFFAOYSA-N	220.293	3.232	0	50	BGAA	
CCCCCCOc1ccccc1C=O	1691377	IFOIDROUJIGQAV-UHFFFAOYSA-N	206.285	3.458	0	50	BGAA	in-vitro
O=C(c1ccc(F)cc1)c1cccc(F)c1	2149426	ZHUXSAKDWNNBCQ-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	in-vitro
CCOC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1	2549444	MBJPATUIODMIKJ-QWRGUYRKSA-N	224.687	3.007	0	50	BGAA	
CC(C)(C)CC(C)(C)NCc1ccccn1	6697193	APPSHQUPFFXNJT-UHFFFAOYSA-N	220.360	3.386	0	50	BGAA	
Cc1cnc(-c2csc3ccccc23)nc1N	20118509	SZORTKUZULWCET-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
Cc1c(C(=O)O)ccc(Br)c1Cl	67802808	KTMCEFFRDONNOW-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	
Cc1nccc2ccc(Br)cc12	95616449	NHTYGDXVFUUOTB-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Cc1ccc(-c2ccncc2N)c2cccnc12	96141782	CGLASFDULHSUHB-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
Cc1ccc(-c2ccc(Br)cc2)nn1	196166493	IHDNCSZKAFXECA-UHFFFAOYSA-N	249.111	3.215	0	50	BGAA	in-vitro
COC(=O)Cc1cc(Cl)c(Cl)cc1C	204728112	CTKQAOSNYNAGLH-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
CCOCc1cc(Br)ccc1F	230532311	XCUXJSVBIRUOGY-UHFFFAOYSA-N	233.080	3.125	0	50	BGAA	
Cc1occc1C(=O)N1CC[C@H]1c1cccs1	1857688205	XGLUXGAUCRHYJC-NSHDSACASA-N	247.319	3.237	0	50	BGAA	
COc1cccc(NC(=O)c2ccc(F)cc2)c1	29752	MJLHHRBCBHSRSY-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
O=C(/C=C/c1ccc(Cl)cc1)N1CCCCC1	63912	UCBCOMZMXLGOSD-RMKNXTFCSA-N	249.741	3.366	0	50	BGAA	biogenic,in-vitro
CC(=O)[C@](C)(Cl)Cc1ccc(Cl)cc1	2162086	SMFZLGCHLKDMEG-LLVKDONJSA-N	231.122	3.469	0	50	BGAA	
Oc1ccc(Br)c(Cl)c1Cl	2521510	UQNKSTVBQXFSDQ-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	in-vitro
COc1ccc(-c2cc(C)nc(=S)[nH]2)cc1	5730375	MVSRDCNZGBIDCH-UHFFFAOYSA-N	232.308	3.123	0	50	BGAA	
Cc1ccc(NC(=O)N2CCC[C@@H](C)C2)cc1	6726989	QWUGTGNSBCWRJP-GFCCVEGCSA-N	232.327	3.259	0	50	BGAA	
Clc1cccc(CN2CCCCC2)c1	16958041	ZJHDYWVHJAYYGU-UHFFFAOYSA-N	209.720	3.326	0	50	BGAA	
OCc1ccnc(-c2ccc(F)cc2Cl)c1	67982993	QQJVAGUCILFNRR-UHFFFAOYSA-N	237.661	3.033	0	50	BGAA	
O=C(NCC1CCCCC1)c1cccs1	68324619	ZUIDOJUIPIIZCP-UHFFFAOYSA-N	223.341	3.058	0	50	BGAA	
Fc1cc(Cl)cc(F)c1N=C=S	197037846	OYFCZVXGUPBDPD-UHFFFAOYSA-N	205.616	3.353	0	50	BGAA	
C1=C[C@@H](n2ccnc2C2CCOCC2)CCC1	1875249428	RWGPIMIJHYSAPX-CYBMUJFWSA-N	232.327	3.058	0	50	BGAA	
O=C(Nc1ccccc1)c1cc(Cl)ccc1O	156020	KGYNGVVNFRUOOZ-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	biogenic,in-vitro
Cc1[nH]c2ccccc2c1[C@H]1CCCN1C	2016862	CWGDEZCIDYRJGS-CYBMUJFWSA-N	214.312	3.243	0	50	BGAA	
O=C(SC(=O)c1ccccc1)c1ccccc1	4792488	KIHBJERLDDVXHD-UHFFFAOYSA-N	242.299	3.400	0	50	BGAA	
Nc1oc2ccccc2c(=O)c1-c1ccccc1	5031579	OJTUGZHBKIKBHZ-UHFFFAOYSA-N	237.258	3.042	0	50	BGAA	
c1ccc(Nc2nccc(-c3ccccn3)n2)cc1	26662090	XVPSNAWTTUUDKF-UHFFFAOYSA-N	248.289	3.282	0	50	BGAA	
Cc1n[nH]c(C)c1-c1cccc2cccnc12	32597655	GYFCQCULMGSZEK-UHFFFAOYSA-N	223.279	3.242	0	50	BGAA	
CCOc1ccc(-c2cn(CC)nc2C)cc1	67604287	YBPGERKQGQMZCW-UHFFFAOYSA-N	230.311	3.277	0	50	BGAA	
COc1cccc(-c2cc(CN)ccc2F)c1F	67674900	NWIMUGJRNHIUNH-UHFFFAOYSA-N	249.260	3.099	0	50	BGAA	
Cc1ccc(-c2ccc(N)nc2)cc1Cl	74081177	NDJBDUAZXZABHL-UHFFFAOYSA-N	218.687	3.293	0	50	BGAA	
CC(C)c1nccc(N2CCC[C@H]2C2CCC2)n1	110534949	OVUYJUXCKJHBSP-ZDUSSCGKSA-N	245.370	3.369	0	50	BGAA	
CC(=O)SCc1ccc(C(F)(F)F)cc1	221277029	FZQGAAPWGZKBSM-UHFFFAOYSA-N	234.242	3.485	0	50	BGAA	
COc1cccc(-c2c(F)cc(F)cc2F)n1	1241168684	RZVWLHDBIJYBBX-UHFFFAOYSA-N	239.196	3.175	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(F)s1	1775956022	IANLSKHLFQNPAY-UHFFFAOYSA-N	217.265	3.234	0	50	BGAA	
CC(=O)c1ccc(N2CCCC[C@H]2C)c(F)c1	170323	ZPNLMIXWTTWCLV-SNVBAGLBSA-N	235.302	3.407	0	50	BGAA	
COc1ccc(CN2CCCC[C@@H]2C)cc1C	277935	MKJXJNCXFZHYPV-ZDUSSCGKSA-N	233.355	3.378	0	50	BGAA	
O=C(Nc1ccccn1)Nc1ccc(F)cc1F	287192	FVJMLCWZDRHEQF-UHFFFAOYSA-N	249.220	3.004	0	50	BGAA	
CCC(CC)C(=O)Nc1ccccc1NC(C)=O	453110	LQLRBKPMLSMSGC-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
O=C(NCCC1=CCCCC1)c1cccc(F)c1	475665	OQFYOYHTPHYDGK-UHFFFAOYSA-N	247.313	3.446	0	50	BGAA	
CCn1c(C2CCCCC2)n[nH]c1=S	561037	RKGIOAVPPNZOQR-UHFFFAOYSA-N	211.334	3.008	0	50	BGAA	in-vitro
CC[C@H](C)NC(=O)N[C@@H](CC)c1ccccc1	13746248	KXWPOOLSPYMSSF-AAEUAGOBSA-N	234.343	3.235	0	50	BGAA	
O=[N+](/C=C\N(O)c1ccccc1)c1ccccc1	34889693	PCKNDIROCAMKKV-QXMHVHEDSA-N	241.270	3.464	0	50	BGAA	
CCC(=O)Nc1ccc(OC2CCCC2)cc1	70250576	XIZHEGZIWQKSRA-UHFFFAOYSA-N	233.311	3.357	0	50	BGAA	
CC(C)Oc1cc(Br)cc(C=O)c1	90411232	LWENJXZPFXNURB-UHFFFAOYSA-N	243.100	3.049	0	50	BGAA	in-vitro
CC[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2	244507451	ZMIGPLLQWVBJJK-FQUUOJAGSA-N	235.371	3.214	0	50	BGAA	
Cc1cnc(N2CCC[C@@H]2c2cccnc2)s1	335759679	HPCPWDLMHCZOOO-GFCCVEGCSA-N	245.351	3.188	0	50	BGAA	
CO[C@H](C)c1cccc(-c2ncnn2C(C)C)c1	426407665	OEUKUBMQWKFVFZ-LLVKDONJSA-N	245.326	3.233	0	50	BGAA	
Cc1ccc(CNc2nn(C)cc2C)cc1Cl	657811562	CWDNGRUUHJTKHP-UHFFFAOYSA-N	249.745	3.302	0	50	BGAA	
FC(F)(F)Oc1ccc2[nH]nc(Cl)c2c1	694952944	FALUXYKMHLCCKH-UHFFFAOYSA-N	236.580	3.115	0	50	BGAA	
CC(C)(C)c1ccc(/C=C/C(=O)O)cc1	131513	QFSPZKLJQZSLQU-RMKNXTFCSA-N	204.269	3.082	0	50	BGAA	in-vitro
O=C(O)c1ccccc1Nc1ccccc1	154642	ZWJINEZUASEZBH-UHFFFAOYSA-N	213.236	3.128	0	50	BGAA	biogenic,in-vitro
Cc1ccccc1C(=O)N[C@H]1CCC[C@@H](C)C1	406458	VRNVLOAFVPQDRX-YPMHNXCESA-N	231.339	3.304	0	50	BGAA	
CCOc1cc(C)cc2oc(=O)c(C)c(C)c12	1164470	URBFNDUHGFTFIR-UHFFFAOYSA-N	232.279	3.117	0	50	BGAA	biogenic
CCc1noc(C)c1C(=O)Nc1cccc(C)c1	7914614	IAPGTTHARGFFOS-UHFFFAOYSA-N	244.294	3.106	0	50	BGAA	
COC(=O)N[C@@H](C)c1ccc(C(C)C)cc1	12382945	IHGXODDKYUKKBN-JTQLQIEISA-N	221.300	3.227	0	50	BGAA	
Fc1ccccc1NCc1ccccc1	19944739	NLUANQPLDQJAEN-UHFFFAOYSA-N	201.244	3.438	0	50	BGAA	
CC(C)(C)C[C@@H]1NCCc2ccccc21	32169205	FUBUVVPXPVESQM-ZDUSSCGKSA-N	203.329	3.310	0	50	BGAA	
COc1ccccc1S[C@@H]1CCCCC1=O	41031010	FIGOJLXGUDNEGF-GFCCVEGCSA-N	236.336	3.299	0	50	BGAA	
Clc1cc(Br)c2nsnc2c1	65337117	CKCVNBIVPGTEST-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)N1CCC(=CC2CC2)CC1	72194191	WGDYDVQPHSWODG-UHFFFAOYSA-N	237.343	3.354	0	50	BGAA	
CSc1n[nH]c2ccc(Br)cc12	82156539	BGLZAKHTTIEEMC-UHFFFAOYSA-N	243.129	3.047	0	50	BGAA	
COc1ccc2c(c1)NC(C)(C)C[C@H]2C	82379362	JOQIPMNHEXDDIH-SECBINFHSA-N	205.301	3.393	0	50	BGAA	
CC(C)(O)c1ccccc1OCc1ccccc1	95495790	RRHXGOMXNLNPAX-UHFFFAOYSA-N	242.318	3.493	0	50	BGAA	
CN[C@]1(c2ccccc2)CCCC[C@H]1C	96026883	LCQYIUFPUWBTAD-TZMCWYRMSA-N	203.329	3.311	0	50	BGAA	
Cc1cccc(NCc2cccnc2)c1F	132534043	KLQKMTCFWQIDBS-UHFFFAOYSA-N	216.259	3.141	0	50	BGAA	
Cc1cccc(C(=O)N2CCC3(CCC3)C2)c1	158820882	WJEPRWAUFWELJA-UHFFFAOYSA-N	229.323	3.011	0	50	BGAA	
C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1CC=CC1	247000956	NDRVJLYALVCJFN-MRVWCRGKSA-N	233.355	3.132	0	50	BGAA	
Cc1cnc(NC(=O)OCc2ccccc2)s1	306530387	DFMZNVWRHPAXDD-UHFFFAOYSA-N	248.307	3.200	0	50	BGAA	
C=CC(=O)Nc1ccc2nc(CCCC)oc2c1	1772718348	DQYKMQDDVSHGMU-UHFFFAOYSA-N	244.294	3.295	0	50	BGAA	
c1ccc(OCCn2cnc3ccccc32)cc1	99269	ZXIXGRUPESYHJD-UHFFFAOYSA-N	238.290	3.115	0	50	BGAA	
CC(C)(C)CC(=O)N1CCCCCCC1	12381413	QJEIHPROZHONLV-UHFFFAOYSA-N	211.349	3.215	0	50	BGAA	
Brc1cncnc1C1CCCCC1	15021124	FUGQEFNAVDJHID-UHFFFAOYSA-N	241.132	3.287	0	50	BGAA	in-vitro
Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)c(C)c1	16551755	DLFJYZDAKPUZNJ-DYEKYZERSA-N	231.339	3.137	0	50	BGAA	
CCN(CCCCO)CCCCc1ccccc1	19792272	NEWQBGNZUJFTSV-UHFFFAOYSA-N	249.398	3.104	0	50	BGAA	
CC(C)COc1ccc(Br)cc1	19806498	FMAIALVMJJUXSB-UHFFFAOYSA-N	229.117	3.484	0	50	BGAA	in-vitro
CCN(CC)CCN(CC)[C@H]1CCC[C@H](C)C1	22455635	LVJUHNAOMWUPSU-GJZGRUSLSA-N	240.435	3.229	0	50	BGAA	
Fc1ccc(S)c(F)c1Br	71792166	IHKIXVNATPEZNU-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CC(C)=CCC[C@@H](C)N[C@H]1CC[C@H](O)CC1	244734947	NOLRTYXIILBLKO-MGPQQGTHSA-N	225.376	3.014	0	50	BGAA	
CC[C@@H](C)c1ccccc1NC(=O)[C@H]1CCCO1	618053	CUTCXQCLJXTUNX-BXUZGUMPSA-N	247.338	3.318	0	50	BGAA	
Sc1nc2ccc(Cl)cc2s1	1602938	CLHLOHAQAADLRA-UHFFFAOYSA-N	201.703	3.238	0	50	BGAA	in-vitro
O=C(c1cccc(Cl)c1)C(F)(F)F	2565657	KYFMLRJTDPGABF-UHFFFAOYSA-N	208.566	3.085	0	50	BGAA	in-vitro
CC(C)=CCC[C@H](C)NC[C@H]1CCC[C@@H](O)C1	222112176	WZBZMNIANWFIPJ-SOUVJXGZSA-N	239.403	3.262	0	50	BGAA	
C[C@@H](c1ccccc1)[C@H]1CCCCCN1	235580516	RYPRWIHCYUTYSO-GXTWGEPZSA-N	203.329	3.322	0	50	BGAA	
C[C@@H]1[C@@H](NC(=O)c2cccc(F)c2)CCC[C@H]1C	245253905	RLVIJJSCRRZMFQ-SUNKGSAMSA-N	249.329	3.380	0	50	BGAA	
CC(C)(C)CSCc1noc(C2CC2)n1	252478489	ANLKKHJWEFLZQF-UHFFFAOYSA-N	226.345	3.226	0	50	BGAA	
COC(=O)c1cccc2c1N(C)C(C)(C)C[C@H]2C	616587986	BFKUNGAXLQGBSP-SNVBAGLBSA-N	247.338	3.195	0	50	BGAA	
COc1ccc(-c2csc(C=O)c2)cc1C=O	725242717	XJFZFBWPYCFPAV-UHFFFAOYSA-N	246.287	3.049	0	50	BGAA	
CC[C@H](C)CN1Cc2ccccc2CCC1=O	2356148830	VCGZNZSBMHDXQD-LBPRGKRZSA-N	231.339	3.008	0	50	BGAA	
CCOC(=O)Nc1nc2ccc(C)cc2s1	145371	JFPXOLSMNXVSCV-UHFFFAOYSA-N	236.296	3.173	0	50	BGAA	
Cc1ccc(C(=O)NCc2ccccc2C)cc1	289696	RTTNZYZTVOBLDD-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
CCC(=O)c1ccc(NC(=O)c2ccco2)cc1	390165	YJOUNGPXILTQEJ-UHFFFAOYSA-N	243.262	3.125	0	50	BGAA	
Cc1ccc2[nH]c3c(c2c1)CCCC[C@@H]3O	445449	ZSUMOIQSYGLLID-ZDUSSCGKSA-N	215.296	3.236	0	50	BGAA	
CN(CCc1ccccn1)CC1CCCCC1	757271	RXBARMGQLQWNCX-UHFFFAOYSA-N	232.371	3.136	0	50	BGAA	
O=C(c1ccccc1)c1cc(F)c(F)c(F)c1	2575051	BTQOMZVQASIULU-UHFFFAOYSA-N	236.192	3.335	0	50	BGAA	in-vitro
CCCNC(=O)Nc1ccc(C(C)C)cc1	3131490	JVSDFDBFTAOXPS-UHFFFAOYSA-N	220.316	3.342	0	50	BGAA	
CCCCc1cc(=O)oc2cc(OC)ccc12	3269021	GVSYRTDMCZQYDY-UHFFFAOYSA-N	232.279	3.144	0	50	BGAA	biogenic
Cc1cc(C)c(OCCN2CCCC2)c(C)c1	4990029	FKYNSFVUPCDRER-UHFFFAOYSA-N	233.355	3.086	0	50	BGAA	
COc1cccc(CSc2ccccn2)c1	5929165	IWUUDXIPCUTSLO-UHFFFAOYSA-N	231.320	3.383	0	50	BGAA	
CCCCc1ccc([C@@H](C)C(=O)O)cc1	36157909	FEFPDZIYEWFQFK-SNVBAGLBSA-N	206.285	3.217	0	50	BGAA	in-vitro
CC(C)=CCC[C@@H](C)CN1CCC[C@H](CO)C1	40455899	FWFISHFNIWPLMS-CABCVRRESA-N	239.403	3.073	0	50	BGAA	
CC1=CC[C@@H]2C(=O)[C@@H]3CC=C(C)C[C@H]3C(=O)[C@H]2C1	101092502	FKWPSQNJQRPFBK-KPWCQOOUSA-N	244.334	3.083	0	50	BGAA	
CC[C@H](C)C(=O)N1CCC[C@@H]2CCCC[C@H]21	230168176	FUQFJMJQEASJNR-RWMBFGLXSA-N	223.360	3.214	0	50	BGAA	
C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)N1C(=O)C1CC1	247381007	LLVOYTFWXCUXMH-JMSVASOKSA-N	243.350	3.190	0	50	BGAA	
COc1ncccc1-c1c(C)cccc1F	1239858361	MNMAJJPXCLBLGM-UHFFFAOYSA-N	217.243	3.205	0	50	BGAA	
CCOc1ccccc1NC(=O)c1ccccc1	29210	QOEUWWMXNATOJD-UHFFFAOYSA-N	241.290	3.338	0	50	BGAA	
Nc1ccccc1C(=O)Nc1ccccc1Cl	122556	WFSUBNNPXUDKAD-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	biogenic
CCOc1ccc(-c2cn3ccsc3n2)cc1	179106	AYSNFNKFCKHWIL-UHFFFAOYSA-N	244.319	3.462	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1csc(CC)c1	2730260	CMPBEEMDPFZNJF-SECBINFHSA-N	225.357	3.229	0	50	BGAA	
O=c1[nH]c2ccccc2nc1/C=C/c1ccccc1	13497279	YJELPRGDOSBSKK-ZHACJKMWSA-N	248.285	3.094	0	50	BGAA	
COC(=O)/C=C/c1ccc(Cl)c(Cl)c1	33822862	OHYZLVVWECFWBY-HWKANZROSA-N	231.078	3.180	0	50	BGAA	
CCCCOc1cccc(Br)n1	38537627	RGATYRGWTUNCQO-UHFFFAOYSA-N	230.105	3.023	0	50	BGAA	in-vitro
CN(C(=O)Nc1ccccc1F)c1ccccc1	55412344	BPDHKESYHWSNNP-UHFFFAOYSA-N	244.269	3.494	0	50	BGAA	
CC1=[N+](c2ccccc2)C(S)=NC(C)(C)[CH-]1	56634894	XVHGXRIOJOSLFN-UHFFFAOYSA-N	232.352	3.074	0	50	BGAA	
CCn1cc2c(C)cc(Br)cc2n1	96379366	MTGDSWDKVZFJPK-UHFFFAOYSA-N	239.116	3.127	0	50	BGAA	
CC(C)n1ccc2cnc(Br)cc21	222089566	JYRZXZIRLSUVOR-UHFFFAOYSA-N	239.116	3.380	0	50	BGAA	
C[C@H]1CCC(=O)C[C@@H]1SC(C)(C)C	725362102	PUHZIAVIQFJJQE-WPRPVWTQSA-N	200.347	3.276	0	50	BGAA	
O=C(O)c1ccc([C@H]2CC2(Cl)Cl)cc1	107864	YEFQPTMMFJKPDU-MRVPVSSYSA-N	231.078	3.046	0	50	BGAA	
OCCc1ccc(-c2ccc(Cl)cc2)o1	188762	PWKIVYGHZWWLCK-UHFFFAOYSA-N	222.671	3.135	0	50	BGAA	
O=C(CCC1CCCCC1)Nc1ccncc1	441411	VFTMEJBWSAQQCI-UHFFFAOYSA-N	232.327	3.381	0	50	BGAA	
Oc1ccc(Br)c2ccccc12	4616836	OUNQUWORSXHSJN-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
CC[C@H](C)NC(=O)N[C@H]1CCCc2ccccc21	13745666	UEELWSAGBLVMTD-FZMZJTMJSA-N	246.354	3.162	0	50	BGAA	
O=C1CCc2c(Cl)cc(Cl)cc21	16083113	BIGNWTAXBIQGAZ-UHFFFAOYSA-N	201.052	3.122	0	50	BGAA	in-vitro
CCN(CC[C@H](C)c1ccccc1)CCN(C)C	22027662	HYRYLHSDPMAXOE-HNNXBMFYSA-N	248.414	3.064	0	50	BGAA	
Cc1ccn(-c2ccc(NC(C)C)cc2)n1	65366233	FUANUFGLVFGBDW-UHFFFAOYSA-N	215.300	3.001	0	50	BGAA	
Cc1cc(S)cc(C)c1Br	117039518	SXZZNILOVVYVRN-UHFFFAOYSA-N	217.131	3.355	0	50	BGAA	
NC1(c2ccccc2)CCC(F)(F)CC1	255190560	XZQMJXOUHSANAK-UHFFFAOYSA-N	211.255	3.050	0	50	BGAA	
CCOC(=O)Nc1ccc(N(CC)CC)cc1	409846	OFSHTWBSRYYIFC-UHFFFAOYSA-N	236.315	3.101	0	50	BGAA	
CCOC(=O)c1csc2ccccc12	476645	AYWFFQGZZINDPZ-UHFFFAOYSA-N	206.266	3.078	0	50	BGAA	in-vitro
O=C(O)c1cc2cc(Cl)ccc2s1	480693	PKIXUVKUGMYKRU-UHFFFAOYSA-N	212.657	3.253	0	50	BGAA	in-vitro
CN(Cc1ccccc1)Cc1ccccc1	1234761	WYZDCUGWXKHESN-UHFFFAOYSA-N	211.308	3.319	0	50	BGAA	in-man
C=CC(=O)NC(c1ccccc1)c1ccccc1	2572113	SHXRPEYRCYQSFS-UHFFFAOYSA-N	237.302	3.078	0	50	BGAA	
CC(C)(C)NCCCOc1ccccc1Cl	2901485	UPDRUSWCMUSBGA-UHFFFAOYSA-N	241.762	3.497	0	50	BGAA	
CCc1ccccc1OCCCN1CCCC1	2932806	JQNIYYUOYGSFGJ-UHFFFAOYSA-N	233.355	3.114	0	50	BGAA	
Brc1ccc([C@@H]2CCCCN2)s1	3734800	URXSDDBKOOFFJD-ZETCQYMHSA-N	246.173	3.325	0	50	BGAA	
COc1ccccc1C(=O)Nc1cccc(C)c1	5548273	YYXRKIWSSJEBBB-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CSc1ccc(CNCc2ccccn2)cc1	7276710	GGSVUNYOHIVNNH-UHFFFAOYSA-N	244.363	3.093	0	50	BGAA	
Cc1c2c(nc3ccccc13)O[C@@H](C)CC2	98050696	ZENOEMLZOZWVRD-VIFPVBQESA-N	213.280	3.257	0	50	BGAA	
Cc1cc(-c2csc(-c3ccco3)n2)on1	185922820	LFAACPOONYONNL-UHFFFAOYSA-N	232.264	3.367	0	50	BGAA	
CC(C)n1ccc2cc(Br)cnc21	217089962	QMFNHZVJDZDZSP-UHFFFAOYSA-N	239.116	3.380	0	50	BGAA	
c1cc(-c2noc(C3CCC3)n2)c2cc[nH]c2c1	225591307	JQCLEAILEVLFBB-UHFFFAOYSA-N	239.278	3.485	0	50	BGAA	
Cc1cc(CN2CCC[C@@H]3CCCC[C@H]32)on1	248880502	ROYVYGFTSMNKCB-GXTWGEPZSA-N	234.343	3.138	0	50	BGAA	
CCc1nc(C)c(CN[C@H](C)C2=CCCCC2)[nH]1	952974054	ZILXSYLWVIDBGX-LLVKDONJSA-N	247.386	3.259	0	50	BGAA	
CCCC(=O)Nc1ccc(OC(C)C)cc1	144384	SSQUWIMFFJXMCH-UHFFFAOYSA-N	221.300	3.212	0	50	BGAA	
O=C(/C=C/c1ccccc1Cl)NC1CCCC1	146563	OGZCPNKAOGPKAB-MDZDMXLPSA-N	249.741	3.412	0	50	BGAA	
CCOC(=O)c1ccc(C(C)(C)C)cc1	164260	LIQWHXBLFOERRD-UHFFFAOYSA-N	206.285	3.161	0	50	BGAA	in-vitro
O=C1O[C@@H](Nc2ccc(F)cc2)c2ccccc21	183475	MLQKCVWRZPCHDQ-CYBMUJFWSA-N	243.237	3.107	0	50	BGAA	
CC(C)(C)NCCCCOc1ccc(F)cc1	2466281	UBBUNAKFEUCDTH-UHFFFAOYSA-N	239.334	3.373	0	50	BGAA	
O=C(Cc1ccccc1)c1ccc(F)c(F)c1	15441723	VPTXJBRYCJVKND-UHFFFAOYSA-N	232.229	3.390	0	50	BGAA	
c1ccc(Cc2nnc(-c3ccsc3)o2)cc1	20725415	WOAYBAKDQHRGAA-UHFFFAOYSA-N	242.303	3.389	0	50	BGAA	
Oc1nc(C(F)(F)F)nc2ccc(Cl)cc12	80128254	LDMYDHZFIHOKCI-UHFFFAOYSA-N	248.591	3.008	0	50	BGAA	in-vitro
COc1ccc([C@@H]2CCCN2C(C)C)cc1OC	96027885	PSKUKIBTKRAOHK-ZDUSSCGKSA-N	249.354	3.249	0	50	BGAA	
CC(=O)O[C@@H]1C=C[C@]23CC[C@@H](C)[C@@H]2CC[C@@]13C	104300742	JDTUOLDWYDXGNR-MYBUGEPTSA-N	234.339	3.321	0	50	BGAA	
C[C@@H]1CCC[C@H](CSc2nnc(N)s2)C1	185481786	JFANMFJUVMXIQS-SFYZADRCSA-N	243.401	3.039	0	50	BGAA	
c1cc(N(c2ccncc2)c2ccncc2)ccn1	199360251	PDGVLYLXTUFIOL-UHFFFAOYSA-N	248.289	3.341	0	50	BGAA	
C=CC(=O)Nc1cc(-c2ccccc2Cl)no1	207577959	ZKAFUGVOSFZTSB-UHFFFAOYSA-N	248.669	3.120	0	50	BGAA	
c1cc2c(c(C3CCCCC3)c1)CNCC2	232474284	QCXVGAWPYCKGOA-UHFFFAOYSA-N	215.340	3.380	0	50	BGAA	
C[C@@H]1CC=C(c2nc(-c3cscn3)no2)CC1	333880499	WFBFMARLZQGRJE-MRVPVSSYSA-N	247.323	3.397	0	50	BGAA	
CC(=O)CSc1ccc(Cl)cc1	156560	VIUDWXCHYJJHLD-UHFFFAOYSA-N	200.690	3.021	0	50	BGAA	
Cc1cc(C)c2ccc(Cl)nc2c1O	235878	UZHWQMSRJRJPKC-UHFFFAOYSA-N	207.660	3.211	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(C)cc1	372709	FOYZYLNQFMWUDT-NSHDSACASA-N	205.301	3.370	0	50	BGAA	
CCN(C(=O)NC(C)(C)C)C1CCCCC1	401709	COGWDMISRXONMV-UHFFFAOYSA-N	226.364	3.149	0	50	BGAA	
Cc1ccc(CNC(=O)c2ccccc2)c(C)c1	406311	IEZWWTPLGPYUKK-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
CN(C)C[C@H](Oc1ccccc1)c1ccccc1	1455880	LXDNEYZYEWIFMH-INIZCTEOSA-N	241.334	3.368	0	50	BGAA	
Cc1ccc(NC(=O)NC2CCCC2)cc1	1891480	IQPWGUMLFKFLOQ-UHFFFAOYSA-N	218.300	3.059	0	50	BGAA	
Cc1ccc(NC2=NC[C@H](C)S2)cc1C	3103164	XMWSNCNEOLYQRL-JTQLQIEISA-N	220.341	3.207	0	50	BGAA	
CCc1ccc([C@@H](O)c2ccccc2)cc1	4255711	WAHXARPNYJOBPI-HNNXBMFYSA-N	212.292	3.331	0	50	BGAA	
O[C@H]1CCC2c3ccccc3C1c1ccccc12	4800589	RMZDTWOUYAWPSM-PWZRNIHTSA-N	236.314	3.419	0	50	BGAA	
CCOCCc1ccc2cc(OC)ccc2c1	5673162	UZIJBKXNXAOUGN-UHFFFAOYSA-N	230.307	3.427	0	50	BGAA	
CCCCNC(=O)c1ccc(F)cc1Cl	6731391	GMHNUXXFYSGURP-UHFFFAOYSA-N	229.682	3.009	0	50	BGAA	
CC1=CC(C)(C)N(C)c2ccc(C=O)cc21	34561637	YVUBWDXUKWCIDC-UHFFFAOYSA-N	215.296	3.131	0	50	BGAA	
N=C1SCCN1c1c(Cl)cccc1Cl	34925585	QVZNSGHGWUASMS-UHFFFAOYSA-N	247.150	3.481	0	50	BGAA	
O=C(C1[C@@H]2CCCC[C@@H]12)N1CCc2ccccc21	109100223	HAMKOZVQONOKLK-CHWSQXEVSA-N	241.334	3.012	0	50	BGAA	
NCc1ccc(OC(F)F)c(Cl)c1Cl	263625139	XCXWNEQQPVTECU-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2cnc(C)c(C)n2)cc1	426513552	FILCEEWMNTXQGT-LBPRGKRZSA-N	242.322	3.468	0	50	BGAA	
Cc1cc(-c2ccc(C(=O)C(C)C)s2)n[nH]1	534654494	AYIYUOGMENJGFV-UHFFFAOYSA-N	234.324	3.285	0	50	BGAA	
CC(C)O[C@@H]1CC(=O)CC[C@@H]1C(C)(C)C	725360595	IRYMYOUOVWBBDF-NWDGAFQWSA-N	212.333	3.195	0	50	BGAA	
C1CCC(CCc2nnc3n2CCCC3)CC1	887282958	KITAFBLTVURBHH-UHFFFAOYSA-N	233.359	3.127	0	50	BGAA	
COc1cnccc1-c1cc(Cl)ccc1OC	1245811971	DUYYOXWCHFOLPP-UHFFFAOYSA-N	249.697	3.419	0	50	BGAA	
Cc1nc(C)c(-c2cccc3nc(O)[nH]c23)s1	1857712111	LDSZQNIYGAQZGM-UHFFFAOYSA-N	245.307	3.009	0	50	BGAA	
O=Cc1c(-c2ccccc2)c(C=O)n2ccccc12	91009	AJGYDURVFFIHQC-UHFFFAOYSA-N	249.269	3.231	0	50	BGAA	
O=C(/C=C/c1ccccc1)Nc1ccccc1O	123900	CYJJBQPBDGQQFZ-ZHACJKMWSA-N	239.274	3.044	0	50	BGAA	biogenic
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1O	3128014	MTDQUGFHWNNIRX-VHIPWMGESA-N	236.314	3.274	0	50	BGAA	
Clc1ccc(-c2ccc(Cl)nn2)cc1	8731846	ARQKIDKGCMDXKY-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	in-vitro
COc1ccccc1CCN[C@H]1CC[C@@H](C)C1	23280443	GSJGRYUDEBEFSF-OCCSQVGLSA-N	233.355	3.016	0	50	BGAA	
C[C@@]1(c2ccccc2)CCC=C(C(=O)O)C1	43198967	BHHHHWHLPNWTEJ-CQSZACIVSA-N	216.280	3.139	0	50	BGAA	
COc1cc(C(=O)O)cc(-c2ccccc2C)c1	65349456	GHZOBRISDGBAHL-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
Cc1cnc(C)c(-c2cccc3[nH]ccc23)n1	67878914	KVCVDCWBYZRIFW-UHFFFAOYSA-N	223.279	3.242	0	50	BGAA	
CC(C)Oc1cccc(NC(=O)C(C)C)c1	71384746	LLSXWGKRYJMORL-UHFFFAOYSA-N	221.300	3.068	0	50	BGAA	
Cc1cccc(C(=O)NCC2CCCCC2)c1	72119369	ACXOMXYORMPBJK-UHFFFAOYSA-N	231.339	3.305	0	50	BGAA	
C[C@H](C1CC1)N(C(=O)C1[C@H]2CCCC[C@H]12)C1CC1	170647238	QFJCADYEHNWKAS-SWHYSGLUSA-N	247.382	3.212	0	50	BGAA	
Brc1csc(C2=NCCCC2)c1	307265025	BETDBZNEJXZCFJ-UHFFFAOYSA-N	244.157	3.484	0	50	BGAA	
O=c1cc(-c2cccs2)oc2ccc(O)cc12	112032	QDHOMPFGMZBCBO-UHFFFAOYSA-N	244.271	3.227	0	50	BGAA	biogenic
CC(=O)c1cc(F)c(N2CCCCC2)cc1C	264156	GDIPTCOEEMEFPJ-UHFFFAOYSA-N	235.302	3.327	0	50	BGAA	
O=C(Nc1ccccc1F)c1cccs1	299582	OXENPSPONGPQRQ-UHFFFAOYSA-N	221.256	3.140	0	50	BGAA	
O=C(c1cccc(F)c1)c1ccccc1F	395227	SGTSFZMOEFGUPQ-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	
O=C1CCc2ccccc2N1c1ccccc1	399765	KZVGADOBXOOISP-UHFFFAOYSA-N	223.275	3.298	0	50	BGAA	
CSc1ccc(CNCc2ccco2)cc1	810247	GVNAUQHIPWUMLP-UHFFFAOYSA-N	233.336	3.291	0	50	BGAA	
CC(C)(C)NCCCCOc1ccccc1F	2897692	ZUWLHLMEZNEWFZ-UHFFFAOYSA-N	239.334	3.373	0	50	BGAA	
CCc1ccccc1C(=O)c1ccccc1	3132629	OJFZCPMENWLPRI-UHFFFAOYSA-N	210.276	3.480	0	50	BGAA	
CCCC(=O)OCCCCCCCCCCO	4521290	KKIBZIXNDVWPDF-UHFFFAOYSA-N	244.375	3.443	0	50	BGAA	
COc1ccccc1CNCc1ccc(F)cc1	4746112	IUVJBOANWORKMQ-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	
CCN1CCC[C@@H](Nc2ccc(C)c(C)c2)C1	12319887	LUDICEYUDZYRAF-OAHLLOKOSA-N	232.371	3.200	0	50	BGAA	
O=C1CCc2c1ccc(Cl)c2Br	204419590	JLFWUCQLFJKMGU-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
CCOC(=O)c1ccc(Cl)c(F)c1Cl	263622858	BMFMWYZUYBGQRD-UHFFFAOYSA-N	237.057	3.309	0	50	BGAA	
CC1(C)CCC=C(c2nc(C(=O)O)cs2)C1	725244876	AVHDJZCLDVNMTL-UHFFFAOYSA-N	237.324	3.435	0	50	BGAA	
Cc1nc2cc(-c3cn(C)cn3)ccc2s1	1243937101	KDHRLNOYZOYYSZ-UHFFFAOYSA-N	229.308	3.005	0	50	BGAA	
N[C@H]1c2ccccc2CC12CCCCC2	1857783011	IRMVQXZYCPFDMO-ZDUSSCGKSA-N	201.313	3.193	0	50	BGAA	
CC1(C)C=Cc2c(nc3ccccc3c2N)C1	12173	LXEOASMACBAUBO-UHFFFAOYSA-N	224.307	3.413	0	50	BGAA	biogenic
Cc1oc(-c2cccs2)cc1C(=O)O	66454	YXDCRSXNEOKXDE-UHFFFAOYSA-N	208.238	3.015	0	50	BGAA	
c1cc2cc(c1)CSCCOCCSC2	391929	FFJVWROXKBHBGI-UHFFFAOYSA-N	240.393	3.183	0	50	BGAA	
C[C@@H](NC(=O)Cc1cccs1)c1ccccc1	477534	AOIIVEKHPUBMTG-LLVKDONJSA-N	245.347	3.168	0	50	BGAA	
CSc1ccc(C(=O)C(F)(F)F)cc1	2378551	JCWQTARLYJDDRE-UHFFFAOYSA-N	220.215	3.154	0	50	BGAA	
c1ccc(Cc2nc3ccccc3o2)cc1	3995419	QHCPEVCCVPNQHM-UHFFFAOYSA-N	209.248	3.419	0	50	BGAA	
CCCn1c([C@H]2CCCO2)nc2ccccc21	4943180	GHXCKPVLCKUWAZ-CYBMUJFWSA-N	230.311	3.298	0	50	BGAA	
Cc1cc(C)cc(NC(=O)NC(C)(C)C)c1	6731562	GXEITSGTMZVOAB-UHFFFAOYSA-N	220.316	3.223	0	50	BGAA	
COc1ccccc1NC(=O)c1ccsc1	9114582	QSAMUOFXTPARAN-UHFFFAOYSA-N	233.292	3.009	0	50	BGAA	
COc1cc(O)cc(CCc2ccccc2)c1	15112730	HPEFWCAKFRCLBD-UHFFFAOYSA-N	228.291	3.186	0	50	BGAA	biogenic,in-vitro
O=c1cc[nH]c(-c2cc3ccccc3s2)c1	65355895	CYXFVXUFPBMCHC-UHFFFAOYSA-N	227.288	3.257	0	50	BGAA	in-vitro
Cn1cnc2ccc(OCc3ccccc3)cc21	95496120	OMGLJMKOQAGNMA-UHFFFAOYSA-N	238.290	3.152	0	50	BGAA	
C[C@@H](O)c1cc2cccc(F)c2nc1Cl	95698503	JBRURSIBROVKPT-ZCFIWIBFSA-N	225.650	3.081	0	50	BGAA	
Cc1cc(F)ccc1-c1cc(Cl)ncc1N	113611743	UBHMOCPFHJWSDZ-UHFFFAOYSA-N	236.677	3.432	0	50	BGAA	
COC(=O)c1cc(-c2ccc(F)cc2)cs1	196308016	XVMKEEXEJKYEBK-UHFFFAOYSA-N	236.267	3.341	0	50	BGAA	
C[Si](C)(C)c1cc2nccc(Cl)c2o1	202208033	AYTYKFMMCYBPDB-UHFFFAOYSA-N	225.751	3.026	0	50	BGAA	in-vitro
COc1cccnc1-c1cccc([C@@H](C)OC)c1	426410722	PGXBHOXJVBEDED-LLVKDONJSA-N	243.306	3.465	0	50	BGAA	
CCn1nc(C)c(-c2ccc(OC)c(F)c2)c1C	426574647	AHFLZELPOKKOJN-UHFFFAOYSA-N	248.301	3.335	0	50	BGAA	
CC(C)[C@@H]1C[C@H]1NC(=O)c1coc2ccccc12	458149088	XDCCSFDWSJGTEX-WCQYABFASA-N	243.306	3.207	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1C[C@@H](C)[C@@H]1C	585086439	BATBWVHBOFOGDH-NEPJUHHUSA-N	232.327	3.176	0	50	BGAA	
FC(F)COc1ccc(Cl)nc1Cl	585672371	GOUJVLOJOAUIGI-UHFFFAOYSA-N	228.025	3.032	0	50	BGAA	
O=C(c1cc(F)cc(Cl)c1)C(F)(F)F	2579826	TXTHWHNRQBDOSA-UHFFFAOYSA-N	226.556	3.224	0	50	BGAA	
CC(C)[C@H](O)[C@@H](c1ccccc1)C(C)C	3132688	AWBSAVHYHWDMPJ-KGLIPLIRSA-N	206.329	3.443	0	50	BGAA	
Cc1cc(Nc2ccc(O)cc2)ccc1N	4522680	JGXPJGJSAMZYBO-UHFFFAOYSA-N	214.268	3.026	0	50	BGAA	
COc1ccc2cc(C(C)(C)O)ccc2c1	4825710	JBFSELUOSSTETM-UHFFFAOYSA-N	216.280	3.076	0	50	BGAA	
CC(C)c1ccc([C@@H](C)NC(=O)C2CC2)cc1	6729055	AZPPIJTUDHJROW-LLVKDONJSA-N	231.339	3.397	0	50	BGAA	
O=[N+]([O-])/C=C/c1ccc(-c2ccccc2)o1	13407824	NVBSISRLNAAAEQ-CMDGGOBGSA-N	215.208	3.194	0	50	BGAA	
C[C@@]12CCCCC1=N[C@@H](c1ccccc1)N2O	23114662	HOUYFKJROMXWKZ-ZIAGYGMSSA-N	230.311	3.164	0	50	BGAA	
Cc1ccc2c(-c3cnc(N)s3)c[nH]c2c1	34925345	ZXHGUUBXAHUBQI-UHFFFAOYSA-N	229.308	3.182	0	50	BGAA	in-vitro
COc1ccc(C)cc1-c1ccccc1O	65339984	OYZZKKKQIPWXFT-UHFFFAOYSA-N	214.264	3.376	0	50	BGAA	
CSc1ccc(-c2cccc(C(=O)O)n2)cc1	65347895	HFOYYTLBPNXXQA-UHFFFAOYSA-N	245.303	3.169	0	50	BGAA	in-vitro
CC(C)CO[C@H]1C[C@H](OC(=O)C(C)C)C1(C)C	170634854	HYBCORWFNOXZJH-RYUDHWBXSA-N	242.359	3.025	0	50	BGAA	
CC(C)CN(Cc1ccco1)C(=O)[C@@H]1CC1(C)C	952867267	LIMXUHVMUDSUQA-ZDUSSCGKSA-N	249.354	3.310	0	50	BGAA	
O=C(CCNc1ccc(F)cc1)c1ccco1	608546	QBCWBGNWWUUKHQ-UHFFFAOYSA-N	233.242	3.104	0	50	BGAA	
OC[C@H]1CC2c3ccccc3C1c1ccccc12	1685685	GKHXDBKHCPINBJ-LBWKMTJJSA-N	236.314	3.276	0	50	BGAA	biogenic
COc1ccc(-n2cccc2)cc1Cl	4235165	PPEIZAXVRYVJAJ-UHFFFAOYSA-N	207.660	3.139	0	50	BGAA	in-vitro
C[C@H]1C[C@@H](NC(=S)S)CC(C)(C)C1	6481571	GNNUYEDIHBJJLE-JGVFFNPUSA-N	217.403	3.006	0	50	BGAA	
Cc1cc(-c2c[nH]nc2N)cc(C(C)(C)C)c1	12404929	LHKSGUBFUCPNSO-UHFFFAOYSA-N	229.327	3.265	0	50	BGAA	in-vitro
CCCN1Cc2cc(OC)ccc2O[C@@H](CC)C1	12456557	UNRVHXOMZRBWQF-ZDUSSCGKSA-N	249.354	3.078	0	50	BGAA	
CN(C)c1cccc(-c2cccc(C(=O)O)c2)c1	31996916	IGKUVSHRCBIVKZ-UHFFFAOYSA-N	241.290	3.118	0	50	BGAA	in-vitro
CN1CCCC[C@H]1c1cc2ccccc2[nH]1	44126123	PUPXFZBRONUIFP-AWEZNQCLSA-N	214.312	3.325	0	50	BGAA	
O=C1Nc2ccc(Cl)cc2Cc2ccccc21	71774237	SLMHVEKTEKQYBR-UHFFFAOYSA-N	243.693	3.497	0	50	BGAA	
COc1cccc2c1CC[C@H]2N[C@H](C)C1CCC1	170043137	SPGVJVWLDZCSHH-IAQYHMDHSA-N	245.366	3.461	0	50	BGAA	
CCC(CC)C(=O)Nc1c(C)cccc1O	193356429	SKBWFOBPDUHVEM-UHFFFAOYSA-N	221.300	3.075	0	50	BGAA	
Cc1cc(-c2ccc3c(c2)CCN3)ccn1	229579502	HFUJGSWGBUZZHE-UHFFFAOYSA-N	210.280	3.025	0	50	BGAA	
CCCCOc1cc(F)ccc1-c1cnn(C)c1	534579742	QELMIQIOVSDBCM-UHFFFAOYSA-N	248.301	3.405	0	50	BGAA	
CCOc1ncccc1-c1cn(C(C)C)nc1C	823405623	RATIBVNHSNRQMB-UHFFFAOYSA-N	245.326	3.233	0	50	BGAA	
Cc1ccc(NCCc2ccc(C)nc2)cc1	270386	AMVUDUKMQSYBIQ-UHFFFAOYSA-N	226.323	3.353	0	50	BGAA	
Cc1cccc(NC(=O)c2ccccc2O)c1C	860185	BRCULNLBELTSHR-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
COc1ccnc2ccc(Br)cc12	6519792	AWLGLUBASOBKNM-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
O=C(O)CCNc1ccc(-c2ccccc2)cc1	16426283	URQKONWODPRUBS-UHFFFAOYSA-N	241.290	3.240	0	50	BGAA	in-vitro
C/C=C(\C)CN(Cc1cnn(CC)c1)CC(C)C	55413337	NAYZUPPMONTKID-MKMNVTDBSA-N	249.402	3.327	0	50	BGAA	
CC1=CCN(C(=O)Nc2cccc(C)c2C)CC1	95518428	YEVGYTSDJGAWFB-UHFFFAOYSA-N	244.338	3.487	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1cccs1	248534759	WDWJBOGZZNMPDN-VWYCJHECSA-N	235.352	3.068	0	50	BGAA	
CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@H]1C	252474412	CWOSJUCRWHGUBC-NDBYEHHHSA-N	223.360	3.118	0	50	BGAA	
OCc1cc(/C=C/C2CCCCC2)c(F)cn1	426649702	OYOPQJIMGLETGX-VOTSOKGWSA-N	235.302	3.307	0	50	BGAA	
Cc1cccc(NC(=O)/C=C/c2ccccc2)n1	33146	WTBSGELAGWYVGP-ZHACJKMWSA-N	238.290	3.042	0	50	BGAA	
O=C(Nc1ccccc1)NC1CCCCC1	65313	WPLYTRWMCWBZEN-UHFFFAOYSA-N	218.300	3.141	0	50	BGAA	biogenic,in-vivo
CCCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1	372132	VLVMVGHDVLOQMO-TYNCELHUSA-N	245.366	3.472	0	50	BGAA	
Brc1ccccc1Br	388498	WQONPSCCEXUXTQ-UHFFFAOYSA-N	235.906	3.212	0	50	BGAA	in-vitro
C[C@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1	432987	NAPXTABMSVIFAD-LZGFCCKTSA-N	247.313	3.097	0	50	BGAA	
Cc1ccc(Nc2ncccc2C(=O)O)c(C)c1	930769	IHGRBDWEPCBBAB-UHFFFAOYSA-N	242.278	3.140	0	50	BGAA	
CCc1cc(C(=O)N2CCCC[C@H]2C)cs1	1054336	AECCQRJPSKWXKP-SNVBAGLBSA-N	237.368	3.325	0	50	BGAA	
OC1(c2ccccc2)C2CC3CC(C2)CC1C3	1515187	FSVUOZUVEZBKGB-UHFFFAOYSA-N	228.335	3.330	0	50	BGAA	in-vitro
O=C(O)c1ccc(C(F)(F)F)c(Cl)c1	2540211	UDXPRKSPAZWHQN-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	
FC(F)c1ccc(Br)cc1	61717410	HUSPSWKWFREKSS-UHFFFAOYSA-N	207.017	3.387	0	50	BGAA	in-vitro
CCCOc1ccc(F)c(Br)c1	137057856	NHMMCKRWWFATJA-UHFFFAOYSA-N	233.080	3.377	0	50	BGAA	
Cc1csc(Nc2ncnc3sccc23)n1	163077816	SXSWEQKOIPZPSE-UHFFFAOYSA-N	248.336	3.200	0	50	BGAA	
CCCCN(CC)[C@@H](C)c1nnc(C)s1	225579299	KSJLHIZBKNRIHA-VIFPVBQESA-N	227.377	3.030	0	50	BGAA	
Cc1nc(N)ccc1-c1ccc(OC2CC2)cc1	230000736	GWHMGAFFKZBXOL-UHFFFAOYSA-N	240.306	3.180	0	50	BGAA	
CC(=O)c1cc(F)c(Cl)c(Cl)c1	263623433	HKQZVTQXKJBVPU-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	
CC[C@H](c1ccccc1)c1nnc2n1CCCC2	887283017	NBSKZXNLENOFEO-CYBMUJFWSA-N	241.338	3.156	0	50	BGAA	
CCOc1ccc(C(=O)N2CCCCCC2)cc1	29971	XYMOPWRDUSQIDR-UHFFFAOYSA-N	247.338	3.102	0	50	BGAA	
CC1(C)CCc2cc(-c3cc[nH]n3)ccc2O1	149714	NTXYUGGSGPFFBQ-UHFFFAOYSA-N	228.295	3.180	0	50	BGAA	
CN(Cc1cccc(O)c1)C1CCCCC1	277505	MBTFMBDFUVRROO-UHFFFAOYSA-N	219.328	3.157	0	50	BGAA	
CCCN(CCC)C(=O)Nc1ccc(F)cc1	395195	GHKSNGBVDJUBFZ-UHFFFAOYSA-N	238.306	3.480	0	50	BGAA	
CC(C)(C)c1cc(CO)c(O)c(C(C)(C)C)c1	500500	JRMFJJFKLDMVQP-UHFFFAOYSA-N	236.355	3.480	0	50	BGAA	
Cc1cc(F)ccc1NC(=O)Cc1cccs1	1056610	QHZLFHGPKKBSBL-UHFFFAOYSA-N	249.310	3.377	0	50	BGAA	
Fc1ccc(OCCCN2CCCCC2)cc1	2497140	TZYJWARWZPFUOP-UHFFFAOYSA-N	237.318	3.081	0	50	BGAA	
O=C(Cc1ccc(Cl)cc1)C(F)(F)F	2518001	FKTNTKPCXIKFBJ-UHFFFAOYSA-N	222.593	3.014	0	50	BGAA	
COc1ccc(C(=O)c2cc(F)cc(F)c2)cc1	4255153	VRKSBMAJYQOSMH-UHFFFAOYSA-N	248.228	3.204	0	50	BGAA	
C[C@H](CC(=O)NCc1ccco1)c1ccccc1	4819819	XSEBTQOYEFXXLJ-GFCCVEGCSA-N	243.306	3.090	0	50	BGAA	
CC[C@@H](C)NC(=O)Nc1cc(C)cc(C)c1	6730132	DARUBJDHPDKPDY-LLVKDONJSA-N	220.316	3.223	0	50	BGAA	
CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C)c1O	27106145	DGZQOKRGJUFPQC-UHFFFAOYSA-N	249.354	3.086	0	50	BGAA	in-vitro
CCCC(=O)Nc1ccc(C)c(NC(=O)CC)c1	36567046	KMAZVMCLGFILNN-UHFFFAOYSA-N	248.326	3.082	0	50	BGAA	
Oc1ccc(-c2ccccc2F)cc1F	47204486	RJJBJXSYRNWSIP-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
CC(=O)c1ccccc1-c1ccc2[nH]ncc2c1	67947791	YLEFSKWQIUGMGV-UHFFFAOYSA-N	236.274	3.433	0	50	BGAA	
O=Cc1ccc(C(F)(F)C(F)(F)F)cc1	107281181	HZUOUAVIYNXFBB-UHFFFAOYSA-N	224.128	3.153	0	50	BGAA	
c1ccc(CNc2ncc3ccccc3n2)cc1	149514824	RYFHPXQYAXHWDQ-UHFFFAOYSA-N	235.290	3.242	0	50	BGAA	
C=CC(=O)N(C(C)C)[C@@H](C)c1ccsc1	1875374760	DMGJIWLCMHIKBB-JTQLQIEISA-N	223.341	3.232	0	50	BGAA	
CC(C)[C@@H](C)CN(C)c1ccnc(C2CC2)n1	2325873286	BMUDJSQQNOMFSM-NSHDSACASA-N	233.359	3.082	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)c2ccccc2)cc1	295662	PNADJAIHEACYHD-CYBMUJFWSA-N	239.318	3.486	0	50	BGAA	
CCOc1ccc(C(=O)Nc2ccccc2)cc1	361970	VCHIXAVDNIQOPN-UHFFFAOYSA-N	241.290	3.338	0	50	BGAA	
CCOc1ccc(OCc2ccc(C=O)o2)cc1	373447	SPRPGVQMLSAAEN-UHFFFAOYSA-N	246.262	3.070	0	50	BGAA	
CCC(=O)Nc1nc(-c2ccccc2)c(C)s1	447574	RHTCUIPIWORLFH-UHFFFAOYSA-N	246.335	3.467	0	50	BGAA	
Cc1cc(C)cc(NC(=O)c2c(C)noc2C)c1	3533526	UCCJFCVSBKQJTN-UHFFFAOYSA-N	244.294	3.161	0	50	BGAA	
c1ccc(-c2ncc(-c3cc[nH]n3)s2)cc1	3883784	NRAHRUHGPGBWSI-UHFFFAOYSA-N	227.292	3.200	0	50	BGAA	in-vivo
Cc1ccccc1Oc1ccccc1C(=O)O	4769082	JMFDKESIMZREMY-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	in-vitro
O=Cc1ccc(OCCc2ccccc2)cc1	5019633	NWWORWIYBLAYJD-UHFFFAOYSA-N	226.275	3.121	0	50	BGAA	
Clc1ccc(CCNCc2ccncc2)cc1	19720593	LUNHCCVXOZOINB-UHFFFAOYSA-N	246.741	3.067	0	50	BGAA	
c1ccc(C[n+]2ccc(-c3ccccn3)cc2)cc1	34317619	ZUCRFPJZQYSTHW-UHFFFAOYSA-N	247.321	3.084	0	50	BGAA	
FC(F)(F)c1cnc(Cl)cc1Cl	43828203	HQEZKTVEZYMLRK-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
COc1cc(C)ccc1-c1cccc(C(=O)O)c1	65336953	FKGXYHAOXXNKQI-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
CCC(=O)Nc1c(C)ccc2nc(C)ccc12	67631243	LSKNKFDXOJHSHN-UHFFFAOYSA-N	228.295	3.200	0	50	BGAA	
CC(C)Oc1cc(O)cc(C(F)(F)F)c1	95710625	VMJCODQAOPYTDH-UHFFFAOYSA-N	220.190	3.198	0	50	BGAA	
Cc1ccc(OCCCCCCO)cc1C	134570495	BEWJJQQVBYTOSA-UHFFFAOYSA-N	222.328	3.235	0	50	BGAA	
Cn1nccc1/C=C/c1nc(C(C)(C)C)cs1	170617530	MDDYKTFOLPXOSK-AATRIKPKSA-N	247.367	3.345	0	50	BGAA	
c1cn(CC[C@H]2CCOC2)c(-c2ccsc2)n1	1857722748	MTKZEOSSTDEEKR-NSHDSACASA-N	248.351	3.038	0	50	BGAA	
Cc1cnnc(-c2cc3ccccc3n2C)c1C	2356159022	IQOQLSYJCSYTAX-UHFFFAOYSA-N	237.306	3.252	0	50	BGAA	
CN(C)C(c1ccccc1)c1ccccc1	1038887	AUOKSPBBOCQYIX-UHFFFAOYSA-N	211.308	3.338	0	50	BGAA	biogenic,in-vitro
CCCNC(=O)Nc1c(C)cccc1Cl	4794690	NHSLWWXHJGCKAV-UHFFFAOYSA-N	226.707	3.180	0	50	BGAA	
COc1ccc(CNCc2sccc2C)cc1	4842594	ZBHDNCSETYOXBV-UHFFFAOYSA-N	247.363	3.355	0	50	BGAA	
COc1ccc(C=O)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2	34204946	QQWFEXZXSDELSH-ZKYQVNSYSA-N	246.306	3.075	0	50	BGAA	
Nc1ccc(C(c2ccc[nH]2)c2ccc[nH]2)cc1	95616295	PBEHUGWIBLIJQY-UHFFFAOYSA-N	237.306	3.105	0	50	BGAA	
COc1cc2ncccc2cc1Br	145181418	UACHUBQTGCSWOR-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
COc1cc(F)cc(-c2cccc(O)c2F)c1	725270654	OZQXDASWCWSGBB-UHFFFAOYSA-N	236.217	3.346	0	50	BGAA	
O=Cc1cccc2nc(C(F)F)sc12	1772717052	QTFPGRHCGXJNLJ-UHFFFAOYSA-N	213.208	3.046	0	50	BGAA	
CC(C)Oc1ccc(-c2csc(N)n2)cc1	149765	PBCWUKLAECARGF-UHFFFAOYSA-N	234.324	3.180	0	50	BGAA	
CCN(Cc1ccccc1)Cc1ccco1	278107	GKRBDQVHLHKNDP-UHFFFAOYSA-N	215.296	3.302	0	50	BGAA	
Fc1cc(Br)c(F)c(F)c1F	2015895	BUYSIDPAOVWMQX-UHFFFAOYSA-N	228.970	3.006	0	50	BGAA	biogenic,in-vitro
CC(=O)c1sc(-c2ccc(F)cc2)nc1C	7845397	GIOHCCCZFNTYNL-UHFFFAOYSA-N	235.283	3.460	0	50	BGAA	
Cc1noc(C)c1COc1ccc(F)cc1F	19737418	OWEALCQJNUMXOS-UHFFFAOYSA-N	239.221	3.149	0	50	BGAA	
CCCCOc1ccc(N)cc1Br	43597751	VSDTZGIORDWHKJ-UHFFFAOYSA-N	244.132	3.210	0	50	BGAA	
NCc1ccc2ccc(Br)cc2c1	211184476	CDDDMRJDIDTUQS-UHFFFAOYSA-N	236.112	3.061	0	50	BGAA	
CCC(CC)(CC)CNc1nncs1	225643221	ADLYBIQYAKEULS-UHFFFAOYSA-N	213.350	3.166	0	50	BGAA	
Cc1ccc(C(F)(F)F)c2c1NCCC2	238446678	NSOPIBNDHYEMBI-UHFFFAOYSA-N	215.218	3.372	0	50	BGAA	
CCC1=CN(C)/C(=C/C=C2\C=CN=C2)C=C1	334159080	GFERYUDVJDMIDQ-XSYSANKLSA-N	212.296	3.190	0	50	BGAA	
CCC1CN(C(=O)c2coc3cc(F)ccc23)C1	335076134	KIIRRCKDHHQQJJ-UHFFFAOYSA-N	247.269	3.054	0	50	BGAA	
O=C(O)C=C1c2ccccc2-c2ccccc21	157338	TUWTVRGEVPWFIX-UHFFFAOYSA-N	222.243	3.183	0	50	BGAA	
COc1ccccc1NC(=O)c1cccs1	239437	CSEKGJHMTLHRNH-UHFFFAOYSA-N	233.292	3.009	0	50	BGAA	
CC(C)(C)Sc1ccccc1C(=O)O	312621	DNHZXAWPEMAWPW-UHFFFAOYSA-N	210.298	3.275	0	50	BGAA	
c1cc(N2CCCCC2)cc(N2CCCCC2)n1	331466	JRAIJZWHLYPHKH-UHFFFAOYSA-N	245.370	3.062	0	50	BGAA	
CCC[C@@H](C)C(=O)N(C)c1ccccc1	443791	PEHWUOBYCHFPLK-LLVKDONJSA-N	205.301	3.086	0	50	BGAA	
CCCCNCCCOc1ccccc1Cl	2898659	XAOVBNVQDJRUPZ-UHFFFAOYSA-N	241.762	3.499	0	50	BGAA	
Cc1ccc([C@H](O)c2ccc(N(C)C)cc2)cc1	4244757	OFZQBJHOCXPUMM-INIZCTEOSA-N	241.334	3.143	0	50	BGAA	
CC[C@H](C)c1ccc(NC(=O)N(C)C)cc1	4827961	GGKFVFAPZWHYSQ-JTQLQIEISA-N	220.316	3.294	0	50	BGAA	
COc1ccc(Cn2cnc3ccccc32)cc1	8022694	RRMGDBMJFCPAPF-UHFFFAOYSA-N	238.290	3.093	0	50	BGAA	
Cc1ccc(-c2ccc[nH]c2=O)cc1Cl	65339240	JZTQRUFOTYYMTK-UHFFFAOYSA-N	219.671	3.004	0	50	BGAA	
COc1ccccc1-c1cccc(C(=O)O)c1C	65349942	JVKCNTHRHLGYSH-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
Oc1ccc(Cl)cc1OC1CCCC1	261493983	NFARPCXYSNLESL-UHFFFAOYSA-N	212.676	3.367	0	50	BGAA	
O=C1O/C(=C\c2cccc(F)c2)c2ccccc21	41630	USJKHNGBOVOIDR-ZROIWOOFSA-N	240.233	3.494	0	50	BGAA	
O=C(O)[C@H](c1ccccc1)C1CCCCC1	155648	AAJLPPDFIRPBDA-CYBMUJFWSA-N	218.296	3.435	0	50	BGAA	in-vitro
CC(C)C(=O)Nc1ccccc1OC(F)(F)F	441637	DQRXERXVQORGDQ-UHFFFAOYSA-N	247.216	3.180	0	50	BGAA	
C[C@H](c1ccc(Br)cc1)N(C)C	1703867	YUNJWUBNQZOPRY-MRVPVSSYSA-N	228.133	3.072	0	50	BGAA	
CCCCc1ccc(NC(=O)CC)cc1	1909393	BQQLNWHZIFNDGR-UHFFFAOYSA-N	205.301	3.378	0	50	BGAA	biogenic
CCC[C@H](C)C(=O)N[C@@H](C)c1ccccc1	2065092	KFFARRBSTQMRAZ-RYUDHWBXSA-N	219.328	3.300	0	50	BGAA	
CC(C)c1nc2ccccc2c(=S)[nH]1	4078468	JQFZNBGEAOFSEC-UHFFFAOYSA-N	204.298	3.416	0	50	BGAA	in-vitro
CC[C@@H](C)c1ccccc1OCCN(C)C	4915306	QAMFZHXJZVNNKV-GFCCVEGCSA-N	221.344	3.141	0	50	BGAA	
O=C(Nc1c(Cl)cccc1Cl)C1CC1	5756686	MJJILPFMWMGPRL-UHFFFAOYSA-N	230.094	3.342	0	50	BGAA	
CC[C@@H](C)Cn1c(CCCO)nc2ccccc21	12438434	NCXQKMWGWRMQPP-GFCCVEGCSA-N	246.354	3.007	0	50	BGAA	
COc1ccccc1CCNCc1cccs1	13717830	DCDOMRWVYFKVJQ-UHFFFAOYSA-N	247.363	3.089	0	50	BGAA	
Nc1ccc(Cl)cc1-c1n[nH]c2ccccc12	39367652	CMYYJCKJZLSYRP-UHFFFAOYSA-N	243.697	3.466	0	50	BGAA	
NC[C@H](CCOc1ccccc1)c1ccccc1	40564446	NRXXFQODABNHLX-HNNXBMFYSA-N	241.334	3.198	0	50	BGAA	
CN[C@H](CSc1ccc(C)cc1)C1CC1	81853038	OAGFJRVFXBTZFU-CYBMUJFWSA-N	221.369	3.085	0	50	BGAA	
O=C(Nc1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2	101666277	OYBGVILRANZFNU-GVXVVHGQSA-N	215.296	3.061	0	50	BGAA	
COc1nc2ccccc2n1Cc1ccccc1	252511275	ZWCKMGISJGPBFU-UHFFFAOYSA-N	238.290	3.093	0	50	BGAA	
CC(C)COc1ccc(Br)c(F)n1	261494472	YJNMLKYTNSDXNS-UHFFFAOYSA-N	248.095	3.018	0	50	BGAA	
c1cc(C[C@@H]2CCN(CC3CCCC3)C2)ccn1	378622334	JFKIQSAWJNZTRQ-INIZCTEOSA-N	244.382	3.136	0	50	BGAA	
c1coc(-c2nccn2Cc2cccs2)c1	1875249330	UKNUXFDXNSWTRL-UHFFFAOYSA-N	230.292	3.253	0	50	BGAA	
c1ccc(-c2cnc(-c3ccncc3)o2)cc1	56580	HGEXVTDKVHLPRZ-UHFFFAOYSA-N	222.247	3.404	0	50	BGAA	
O=C1CCCN1c1cc(Cl)ccc1Cl	282272	GYDHDIHWONHLAA-UHFFFAOYSA-N	230.094	3.120	0	50	BGAA	
Cc1ccc(O)c(NC(=O)c2cccc(F)c2)c1	1216014	LGMVKFVSBWQBOF-UHFFFAOYSA-N	245.253	3.092	0	50	BGAA	
FC(F)(F)c1cccc(Br)c1	1699999	NNMBNYHMJRJUBC-UHFFFAOYSA-N	225.007	3.468	0	50	BGAA	
C1=CCCc2nc3ccccc3nc2CC1	2519561	CWIBBELDHZLYMS-UHFFFAOYSA-N	210.280	3.065	0	50	BGAA	
COC(=O)c1cccc(-c2ccc(O)c(C)c2)c1	65340462	UWGVZGKYHWFZON-UHFFFAOYSA-N	242.274	3.154	0	50	BGAA	in-vitro
Clc1ccc2scc(Cn3cnnc3)c2c1	65385321	ANJHLCAHALROGG-UHFFFAOYSA-N	249.726	3.195	0	50	BGAA	
CC1=C[C@@H]2CC(C)(C)[C@H](O)[C@]23[C@H]1CC[C@H]3C	71786794	VEVMKHHFURWGSD-BIGJJFBESA-N	220.356	3.386	0	50	BGAA	
CCOCC1(C(=O)Nc2ccc(CC)cc2)CC1	225636284	ZNPUOHUOYOEJSU-UHFFFAOYSA-N	247.338	3.004	0	50	BGAA	
Cc1cccc([C@H](C(=O)O)C(C)(C)C)c1	258121945	PPUHCDKJMRESDE-LLVKDONJSA-N	206.285	3.209	0	50	BGAA	
CO[C@H](C)c1ccc(-c2nc(C)cnc2C)cc1	1506416092	TYNRBJNLGBASBU-GFCCVEGCSA-N	242.322	3.468	0	50	BGAA	
Cc1ccsc1-c1nccn1[C@@H]1CC[C@H](O)C1	1875250465	AZMJQJLBLZFFAU-MNOVXSKESA-N	248.351	3.006	0	50	BGAA	
Fc1cccc(C[n+]2csc3ccccc32)c1	300677	KZRHRUHUJPZRPV-UHFFFAOYSA-N	244.314	3.376	0	50	BGAA	
CNCc1ccc(Oc2ccccc2)cc1	2576561	YWBKPTGYRUSBFV-UHFFFAOYSA-N	213.280	3.198	0	50	BGAA	in-vitro
C[C@H](N)c1cc(F)c(Cl)cc1Cl	4200304	UUGIXMDBIAKDBF-BYPYZUCNSA-N	208.063	3.152	0	50	BGAA	in-vitro
Cc1ccc([C@H](N)c2cccs2)cc1	4206341	CFTDRQBJPRGTHP-LBPRGKRZSA-N	203.310	3.105	0	50	BGAA	
c1ccc([C@H]2C[C@H]3C[C@H](c4ccco4)N2O3)cc1	5103037	BTDMDCMAYSCHMS-BFHYXJOUSA-N	241.290	3.472	0	50	BGAA	
CCn1cc(C(=O)C(C)C)c2ccccc21	6570542	DZQGWGGFAIPHMC-UHFFFAOYSA-N	215.296	3.500	0	50	BGAA	
COC(=O)c1ccc(C(F)(F)F)cc1Cl	47202285	QJZUPDUXEBVQHR-UHFFFAOYSA-N	238.592	3.145	0	50	BGAA	
CCOc1ccc(Oc2ccc(C(=O)O)o2)cc1	50907435	UNTCCBPEZGAHEQ-UHFFFAOYSA-N	248.234	3.169	0	50	BGAA	
COC(=O)c1cc(C)ccc1-c1ccccc1	97757357	RDDAZCURHIJFHM-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	
COCc1csc(CCc2ccccc2)n1	231721705	TVCZWDNJSBGFCE-UHFFFAOYSA-N	233.336	3.075	0	50	BGAA	
CC[C@H](C)NC(=O)/C=C/c1ccc([C@H]2C[C@H]2C)o1	245237486	KTNOEYIKHDTYLD-BWTDHHSPSA-N	247.338	3.331	0	50	BGAA	
C1=CC[C@@]23C[C@H](O[C@H]4CCCCO4)C[C@]2(C1)C3	257358693	VUQBOEWMKVXUTQ-ZQDZILKHSA-N	234.339	3.419	0	50	BGAA	
CCc1ccc2occ(C(=O)N3CC=CC3)c2c1	585088349	XHQFZVRIAWOYFU-UHFFFAOYSA-N	241.290	3.007	0	50	BGAA	
Cc1cc(Cl)cc2c3c([nH]c12)CCOC3	675075558	ATUZRUOWTRDRRH-UHFFFAOYSA-N	221.687	3.202	0	50	BGAA	
Cc1sc(C)c2c1CCC=C2c1c[nH]cn1	24132	RLKWQKZPCMICPS-UHFFFAOYSA-N	230.336	3.466	0	50	BGAA	in-vitro
Cc1cccc2cc(C=O)c(Cl)nc12	58233	YPBRSXNRWFUUOE-UHFFFAOYSA-N	205.644	3.009	0	50	BGAA	in-vitro
CC1(c2ccc(O)cc2)SCCS1	153744	QTPANKHZSIPRCL-UHFFFAOYSA-N	212.339	3.045	0	50	BGAA	in-vitro
COc1cccc(NC(=O)Nc2ccccc2)c1	395445	BYDALDRWUBYRDE-UHFFFAOYSA-N	242.278	3.339	0	50	BGAA	
COCCCNC1CCC(C(C)(C)C)CC1	2498859	LXMGPWOOWGYLKO-UHFFFAOYSA-N	227.392	3.217	0	50	BGAA	
CC[C@H](C)NC(=O)CCSc1ccccc1	3086690	MTVBKKXCMOCLNK-NSHDSACASA-N	237.368	3.084	0	50	BGAA	
O=c1c(Cl)c(C(F)F)oc2ccccc12	6668617	HCDHQUNKPHYMMN-UHFFFAOYSA-N	230.597	3.384	0	50	BGAA	
CCc1ccc(NC(=O)Nc2ccncc2)cc1	6715530	LUDNRBAAWJXVLM-UHFFFAOYSA-N	241.294	3.288	0	50	BGAA	
CC(=O)c1cc(Cl)c2ccccc2c1O	34583774	NOFNICHETXGVBM-UHFFFAOYSA-N	220.655	3.401	0	50	BGAA	in-vitro
Fc1cccc(Br)c1OC(F)F	39325879	KUCGCFDIABRYPJ-UHFFFAOYSA-N	241.006	3.190	0	50	BGAA	
C/C=C1/C(=C(C)C)C(=O)N[C@H]1c1ccccc1	43761652	UCCKXRMLADKZOL-VQEQIULKSA-N	227.307	3.140	0	50	BGAA	
Cc1cc(-c2ncnc3[nH]ccc23)ccc1F	63539384	LZXPYCSHIFEZMR-UHFFFAOYSA-N	227.242	3.072	0	50	BGAA	
Cc1cnc(OC2CCCC2)c(Cl)c1	238484619	MOSWSPBHPAQOTB-UHFFFAOYSA-N	211.692	3.365	0	50	BGAA	
CCc1cccc(CN2CCC(C)(OC)CC2)c1	276229296	MXSMWJJMKRIORZ-UHFFFAOYSA-N	247.382	3.250	0	50	BGAA	
CC[C@H](NC1CCCCCC1)c1ncc(C)[nH]1	670468336	XVIRTFFWYHVXCK-ZDUSSCGKSA-N	235.375	3.482	0	50	BGAA	
O[C@H]1C[C@H](c2ccccc2)NC2(CCCCC2)C1	163953	RXFNFESRQAGJJM-LSDHHAIUSA-N	245.366	3.175	0	50	BGAA	
CCOC(=O)Nc1ccc(Cl)cc1F	461626	DDGKFWFDDFPLAO-UHFFFAOYSA-N	217.627	3.048	0	50	BGAA	
COc1ccc(C2CCCCC2)cc1N	2562416	ZGCZLEYNQKVVMJ-UHFFFAOYSA-N	205.301	3.325	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)Nc2ccccc2)n1	6450252	IGCMIVVIDBZYRE-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
NC(Cc1ccc(F)cc1)Cc1ccc(F)cc1	11600643	QYJIYFHYABSPIY-UHFFFAOYSA-N	247.288	3.077	0	50	BGAA	
Cc1ccc(NC(=O)NC(C)(C)C)cc1F	13320466	AKSAQRQAJKNREE-UHFFFAOYSA-N	224.279	3.054	0	50	BGAA	
Cc1ccccc1OCCNCCC(C)C	41238229	WKTIDXSRAKZYFL-UHFFFAOYSA-N	221.344	3.010	0	50	BGAA	
CC(C)(C)[C@H]1CC(=O)[C@@H](C(C)(C)C)CC1=O	44559774	QGMVFJOKDPISNS-UWVGGRQHSA-N	224.344	3.243	0	50	BGAA	
CN(C)C[C@H]1CCCC[C@H]1Oc1ccccc1	45067783	PCFONODKILRICO-UKRRQHHQSA-N	233.355	3.186	0	50	BGAA	
C[C@@]12CC3(F)CC(C(=O)O)(C1)C[C@](C)(C3)C2	199456592	BICNDQGYOZXKPW-MPEURRAXSA-N	226.291	3.160	0	50	BGAA	
NCc1ccc(Cl)c(Cl)c1OC(F)F	263624282	OYQQKRJTRFHCNA-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
O=C(O)c1cc(C2CC2)sc1Br	409426248	PDNILKWFMLCLLA-UHFFFAOYSA-N	247.113	3.086	0	50	BGAA	
Cc1oc(C(F)F)c(C(=O)O)c1C(C)C	958527646	CMIDENJWXITZKJ-UHFFFAOYSA-N	218.199	3.347	0	50	BGAA	
Oc1c(Cl)cc(Cl)c2cccnc12	1131	WDFKMLRRRCGAKS-UHFFFAOYSA-N	214.051	3.247	0	50	BGAA	biogenic,world
OCc1ccc(-c2ccc(Cl)cc2)o1	172528	PMHZVTQIEAIJBK-UHFFFAOYSA-N	208.644	3.092	0	50	BGAA	
CC(C)N1C(=O)[C@H](C)S[C@@H]1c1ccccc1	277901	SDKLGBFPKQIVEN-GXFFZTMASA-N	235.352	3.058	0	50	BGAA	
CC(=O)N[C@@H](C)c1ccc(Cl)c(Cl)c1	295704	LSCBJAULQSUFSZ-LURJTMIESA-N	232.110	3.191	0	50	BGAA	
CNC(=O)c1cc(C)c(-c2ccccc2)s1	339193	MKDZZSRGUFKBSV-UHFFFAOYSA-N	231.320	3.083	0	50	BGAA	
Cc1cccc(C)c1NC(=O)c1ccccc1O	394251	OEVSZXUCOOWVOO-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
Cc1cc(=O)n(-c2ccccc2)c2ccccc12	409883	ILKUVYJZEPVFHW-UHFFFAOYSA-N	235.286	3.299	0	50	BGAA	
Cc1ccc(C(=O)Nc2ccc(Cl)cc2)o1	441570	GGDRMUXAVYGZGA-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
Cc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)o1	449891	UURIHSBGMFFXMJ-CMDGGOBGSA-N	235.327	3.247	0	50	BGAA	
O=C(O)c1ccc(-c2cccc(F)c2)cc1	2574075	SJIIGBFXZWSXJP-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	
CO[C@@H]1CCCc2[nH]c3ccccc3c21	4825656	MJANJZSMRIMGNZ-GFCCVEGCSA-N	201.269	3.192	0	50	BGAA	
CC(C)Cn1c(Cc2ccccc2)n[nH]c1=S	5817382	YHRSLOHHPAQMRY-UHFFFAOYSA-N	247.367	3.187	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)c1cccc(O)c1	19839515	OJTLDIBYRXTTCL-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
CC1=CC[C@@H]2C(=O)[C@@H]3CC=C(C)C[C@H]3C(=O)[C@@H]2C1	34522459	FKWPSQNJQRPFBK-XJFOESAGSA-N	244.334	3.083	0	50	BGAA	
COc1cc(C)cc(-c2cccc(C(=O)O)c2)c1	65336959	IPTDJCWCCVUXFE-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
CCOc1c(Cl)cc(O)cc1Cl	75613754	DHVFDHKZVRGESE-UHFFFAOYSA-N	207.056	3.098	0	50	BGAA	
COc1ccc2c(C(C)=O)c(OC)ccc2c1	98181704	CKJQPCGQBADQGW-UHFFFAOYSA-N	230.263	3.060	0	50	BGAA	in-vitro
Cc1cc(N2CCC[C@H](C(F)(F)F)C2)ccn1	185525017	AFJDTPPXTRKKNY-JTQLQIEISA-N	244.260	3.169	0	50	BGAA	
CC(=O)Nc1ccc(NC(C)(C)C(C)C)cc1	257373292	URCWBKJNJITPHW-UHFFFAOYSA-N	234.343	3.492	0	50	BGAA	
C=CC(=O)NCC1CC(C)(C)CC(C)(C)C1	699638673	NICYNJKFTFPNDJ-UHFFFAOYSA-N	223.360	3.141	0	50	BGAA	
C=CC(=O)N[C@](C)(CCC)c1ccccc1	1262556325	IVPWSZCUNBMJTM-CQSZACIVSA-N	217.312	3.004	0	50	BGAA	
COc1ccccc1NC(=O)c1ccccc1F	236754	XSRURAMMAIBUSB-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
Cc1cccc(C(=O)Nc2cccc(F)c2)c1	282230	SCHBLUXEKDHYSK-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CCCN(CCC)c1ccc(C=O)cc1	1583083	HDOZLDYBGNJMMZ-UHFFFAOYSA-N	205.301	3.126	0	50	BGAA	
Nc1c2c(nc3ccccc13)CCCCCC2	1660914	MOYCAFZXXXJGSU-UHFFFAOYSA-N	226.323	3.476	0	50	BGAA	
CNC(=O)Oc1ccccc1-c1ccccc1	1699801	NAGVBMFPWUUBBG-UHFFFAOYSA-N	227.263	3.072	0	50	BGAA	
CCSC(=O)COc1ccc(Cl)cc1C	2013573	AZFKQCNGMSSWDS-UHFFFAOYSA-N	244.743	3.307	0	50	BGAA	in-vitro
Cc1cccc(C)c1OCCNC(C)(C)C	2931980	NWYBHNHZWOCONY-UHFFFAOYSA-N	221.344	3.070	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1C	16552237	HORJSKTWRAEGGR-MBNYWOFBSA-N	231.339	3.137	0	50	BGAA	
CN(C)[C@H]1CCCC[C@@H]1c1ccccc1	34411702	MJWLTNXSPRLXPT-KGLIPLIRSA-N	203.329	3.274	0	50	BGAA	
FC1(F)C(F)(F)[C@@](F)(Cl)[C@@]1(F)Cl	42804379	LMHAGAHDHRQIMB-XIXRPRMCSA-N	232.938	3.080	0	50	BGAA	in-vitro
CC(=O)Nc1cc(Cl)c(Cl)cc1C	89157178	GOMRJKYILSDJTN-UHFFFAOYSA-N	218.083	3.260	0	50	BGAA	
CC[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1	248268493	PHTTVNJXCXUVFA-JSGCOSHPSA-N	231.339	3.396	0	50	BGAA	
O=Cc1c(Br)cccc1C1CC1	306916081	WKAJLBHHCWBRPX-UHFFFAOYSA-N	225.085	3.139	0	50	BGAA	
C=CC(=O)NCC1(c2ccc(C)c(C)c2)CCC1	863971501	VRIOHRZDBDPAOJ-UHFFFAOYSA-N	243.350	3.027	0	50	BGAA	
CC1(C)CC[C@H](N2CC(c3ccccn3)C2)C1	1857717483	VIFQBOGOBYWZEF-ZDUSSCGKSA-N	230.355	3.060	0	50	BGAA	
CCCCCN1Cc2ccccc2CCC1=O	2356164530	WNFZZDSWUNEYJS-UHFFFAOYSA-N	231.339	3.152	0	50	BGAA	
O=C1Nc2ccccc2Oc2ccccc21	40884	OXMPDOZBQGHTGH-UHFFFAOYSA-N	211.220	3.045	0	50	BGAA	in-vitro
O=C(O)CSc1ccc(Cl)cc1Cl	131966	MDQZIQPTGRZCOQ-UHFFFAOYSA-N	237.107	3.170	0	50	BGAA	
CCCCOC(=O)Nc1cccc(F)c1	1770670	PJTZNFVXTILODO-UHFFFAOYSA-N	211.236	3.174	0	50	BGAA	
Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	2565512	RZOCCLOTCXINRG-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	biogenic,in-vitro
Cc1cc(NCc2ccc(Cl)cc2)ncn1	11902792	BNBCKCPLZILJKB-UHFFFAOYSA-N	233.702	3.051	0	50	BGAA	
FC(F)COc1ccccc1Br	37756007	STMKNINOKNUOGI-UHFFFAOYSA-N	237.043	3.093	0	50	BGAA	
CCC[C@H](C)NC(=O)CCc1ccc(F)cc1	72446881	CMBNFZDGIRLONB-NSHDSACASA-N	237.318	3.063	0	50	BGAA	
Nc1c(OC(F)F)ccc(Cl)c1Cl	263622706	ADDKMYGAKQUFMK-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
Cc1cccc(NCc2ccc3c(c2)OCO3)c1	226672	OUYZQYDFMRHZNN-UHFFFAOYSA-N	241.290	3.336	0	50	BGAA	
Cc1ccccc1C(=O)N[C@H](C)CC(C)C	363789	LDHGXSBSUJVQNF-GFCCVEGCSA-N	219.328	3.159	0	50	BGAA	
C[C@H]1CCC[C@H](NCc2ccc3c(c2)OCO3)C1	756998	CWGJTPQDJXRMRM-AAEUAGOBSA-N	247.338	3.084	0	50	BGAA	
CCCN[C@@H](c1ccccc1)c1ccncc1	2485346	COECAFGALBNHGR-HNNXBMFYSA-N	226.323	3.171	0	50	BGAA	
CCCCNCCCOc1cccc(C)c1	2900863	QSWYKULKTMYAQH-UHFFFAOYSA-N	221.344	3.154	0	50	BGAA	
Cc1cccc(C)c1NC(=O)C1CCCC1	6318138	OTSVKQJAOVLTSX-UHFFFAOYSA-N	217.312	3.432	0	50	BGAA	
CC[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1	8570295	YOPGIKXTLLLSNK-LLVKDONJSA-N	235.327	3.002	0	50	BGAA	
COc1c(C)cc(-c2ccccc2CN)cc1C	67872559	FNVAEQBNNBXLCH-UHFFFAOYSA-N	241.334	3.438	0	50	BGAA	
COc1ccc([C@]2(O)[C@@H](C)CCC[C@H]2C)cc1	248263174	XSWOXBRKSRIDQU-JJLQDPRZSA-N	234.339	3.339	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@H]1CCC[C@H](C)N1	757207507	BPRRWQXLTRZERM-GXFFZTMASA-N	229.327	3.074	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1CCC[C@@H](C)N1	757207512	BPRRWQXLTRZERM-MFKMUULPSA-N	229.327	3.074	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@@H](C)C[C@H]1C	757215053	UJQHMVTYHUUJKB-ZVWUFJHRSA-N	243.354	3.178	0	50	BGAA	
CCc1noc(-c2ccc(C)c3cccnc23)n1	1875340168	OSTHKIORHWIVGC-UHFFFAOYSA-N	239.278	3.156	0	50	BGAA	
CCC[C@@H](C)C(=O)N[C@H](C)c1ccccc1	2065093	KFFARRBSTQMRAZ-VXGBXAGGSA-N	219.328	3.300	0	50	BGAA	
O=Cc1ccc(COc2cccc(Cl)c2)o1	2505971	OBOPNPUOIQNUGJ-UHFFFAOYSA-N	236.654	3.325	0	50	BGAA	
Cc1cc(-c2cccc(C(F)(F)F)c2)n[nH]1	3884172	DPKRQNPVMPJPBH-UHFFFAOYSA-N	226.201	3.404	0	50	BGAA	
Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1O	4708906	SLJXQQVEFXLOAI-UHFFFAOYSA-N	243.350	3.442	0	50	BGAA	
O=C(CCC1CCCCC1)NCc1ccco1	4722237	UXCTWEYIIYFQTL-UHFFFAOYSA-N	235.327	3.256	0	50	BGAA	
Nc1cc(-c2ccccc2)nc2ccccc12	19093724	URUHKHGBRNTPGA-UHFFFAOYSA-N	220.275	3.484	0	50	BGAA	in-vitro
Cc1cc(C)c(-c2cncc(N)c2)c(C)c1	32603450	NENLMQZWNQGXLX-UHFFFAOYSA-N	212.296	3.256	0	50	BGAA	
Cc1cc(Br)c(F)cc1S	36532973	CFXZAYGLRHKJMV-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
Oc1cccc(-c2cc(F)ccc2F)c1	65339973	KYQHNXSUSYDZAJ-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
Brc1ccc2csnc2c1	95616409	CLOSTAZFGDZVCS-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
COc1cccc(-c2cc(F)c(N)c(F)c2)c1	115890169	BFAMMODYWZEGDM-UHFFFAOYSA-N	235.233	3.223	0	50	BGAA	
Cc1cc(N)nc(SCCCC(C)(C)C)n1	225436521	KVSSWFNUUJNGJG-UHFFFAOYSA-N	239.388	3.286	0	50	BGAA	
CCc1ccccc1NC(=O)OC(C)C	396792	RZXAZSKLYQJFSW-UHFFFAOYSA-N	207.273	3.206	0	50	BGAA	
Cc1ccc(NC(=O)c2ccoc2C)cc1C	474773	UTHNFHSSGMLTGI-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
Brc1cccc(-c2ncco2)c1	2540637	YLPWYXWXKUAHPU-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
Cc1ccc(C(=O)NCc2cccs2)s1	2763144	ANXLKDXYGBWSFG-UHFFFAOYSA-N	237.349	3.048	0	50	BGAA	
O=C(O)c1cccc2c1oc1ccccc12	3850975	BSMAWCXKHJSJIB-UHFFFAOYSA-N	212.204	3.284	0	50	BGAA	biogenic
Clc1nccc(Br)c1Cl	21981676	YQIJTLBBAZBULT-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
O=C(O)CCc1cc(Cl)ccc1Cl	36179830	NPCALKBOEAOXNJ-UHFFFAOYSA-N	219.067	3.011	0	50	BGAA	in-vitro
O=Cc1ccc(F)cc1OCc1ccccc1	39170470	GTMFIRJLBBXARD-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	
Cc1ccc(-c2ccnc(N3CCCC3)n2)cc1	67320827	CDQIXGVFUXIZOY-UHFFFAOYSA-N	239.322	3.052	0	50	BGAA	
FC(F)=C(F)C(F)(F)Br	71790155	SPZXNEBFTNEDGH-UHFFFAOYSA-N	210.927	3.052	0	50	BGAA	in-vitro
CCN1CC=C(c2cnc(Cl)c(C)c2)CC1	216706951	VHHSFXGQAFPKFV-UHFFFAOYSA-N	236.746	3.152	0	50	BGAA	
Oc1cc(OC(F)F)cc(Cl)c1Cl	263624141	NTUPMINITGWTIV-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
S=C1NC2(CCCCC2)Oc2ccccc21	53172	QIRDOYRUYVMNFA-UHFFFAOYSA-N	233.336	3.005	0	50	BGAA	
FC(F)(F)Oc1ccc(Br)cc1	56737	SEAOBYFQWJFORM-UHFFFAOYSA-N	241.006	3.348	0	50	BGAA	in-vitro
COc1cc(CNC2CCCCC2)cc(OC)c1	263247	JVKDFAYHZSCPFF-UHFFFAOYSA-N	249.354	3.126	0	50	BGAA	
COc1ccccc1CNCc1ccccc1C	267268	FTJHQOKVUIUOOK-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	biogenic
CC1=[N+]([O-])C(C)(C)C[C@@H](C)c2ccccc21	377050	YSCYVRIPLIXAAW-SNVBAGLBSA-N	217.312	3.292	0	50	BGAA	biogenic
CCC(CC)C(=O)Nc1ccc(N(C)C)cc1	453157	GLVBFHOSBFPKKH-UHFFFAOYSA-N	234.343	3.127	0	50	BGAA	
CCC[C@@H](C)C(=O)N1CCCc2ccccc21	457117	XCSNHDQPYFGISL-GFCCVEGCSA-N	231.339	3.402	0	50	BGAA	
CCCCCC[C@@H]1C(=O)CC[C@H]1CC(=O)OC	1902253	GLASPHLTTAHWPI-RYUDHWBXSA-N	240.343	3.115	0	50	BGAA	biogenic
CC(C)(C)OC(=O)n1cccc1Br	2525858	HMQSOVFFDHSOMX-UHFFFAOYSA-N	246.104	3.034	0	50	BGAA	in-vitro
CCC[C@H](C)C(=O)N(CC)c1ccccc1	2734471	ITUGGQYXGKNPGC-LBPRGKRZSA-N	219.328	3.476	0	50	BGAA	
Cc1ccc(C)c(NC(=O)c2ccoc2C)c1	2748797	ZRAMQEYFPQJPLR-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(Cl)nc1	4716576	IRHNQVINMHHEIO-UHFFFAOYSA-N	228.679	3.082	0	50	BGAA	in-vitro
FC(F)(F)c1nc2ccc(Cl)cc2[nH]1	4725699	OQKQEDXERMELRT-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	in-vitro
CCOC(=O)c1ccccc1Cc1ccccc1	15121961	CNDHIVGCYQWWAD-UHFFFAOYSA-N	240.302	3.454	0	50	BGAA	
CCCCN[C@H](C)C(=O)c1ccc(Cl)cc1	41609178	FMDPVFRFGCOFKM-SNVBAGLBSA-N	239.746	3.301	0	50	BGAA	in-vitro
O=C1C[C@H]2CCCC[C@@H]2c2ccc(O)cc21	45027561	VYSBBTQKZSGCIX-KOLCDFICSA-N	216.280	3.252	0	50	BGAA	
Brc1ccc2c(c1)NCCCS2	133667495	KSCFOSSFKNSDRC-UHFFFAOYSA-N	244.157	3.357	0	50	BGAA	
ClC1(Cl)[C@@H]2C[C@@H]3[C@H]4C=C[C@@H](C4)[C@@H]3[C@H]21	254479936	BIINRMZJEXKKCL-HMELBQQSSA-N	215.123	3.248	0	50	BGAA	
Cc1cc(C2CCC2)nc(-c2ccncc2)n1	426602580	YOZYFZZJNHVGTL-UHFFFAOYSA-N	225.295	3.115	0	50	BGAA	
CCOCCN[C@@H](C)c1coc2ccccc12	863982319	BRUFPYZRGUEUCF-NSHDSACASA-N	233.311	3.120	0	50	BGAA	
Fc1cncc(-c2cccc3cccnc23)c1	1250639275	YQODAKQSLOKFOO-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
C=CC(=O)N[C@@H]1CCC[C@H](c2ccccc2)CC1	1336682501	ULUPUCGCWOYMOG-LSDHHAIUSA-N	243.350	3.405	0	50	BGAA	
O=C(C1CCCCC1)N1CCc2ccccc2C1	303837	FICYXOJLBPZQGF-UHFFFAOYSA-N	243.350	3.152	0	50	BGAA	
CCC[C@H](C)C(=O)N1CCc2ccccc21	449956	RNAFRBJRXKWHSH-NSHDSACASA-N	217.312	3.012	0	50	BGAA	
Clc1ccccc1CSc1ncccn1	470908	XGSHCHRFKSYOKP-UHFFFAOYSA-N	236.727	3.422	0	50	BGAA	
Cc1ccc(CNc2cccc(C(=O)O)c2)s1	502908	PMNTXRWWXFDZFS-UHFFFAOYSA-N	247.319	3.367	0	50	BGAA	
CC1CCN(C(=O)CCCc2ccccc2)CC1	859957	GOUQRLNKQBBXDF-UHFFFAOYSA-N	245.366	3.268	0	50	BGAA	
CC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O	2043786	BCOVXKWQTYUMNW-MRVPVSSYSA-N	249.093	3.235	0	50	BGAA	
c1ccc(OCOCOc2ccccc2)cc1	2173145	ZPVJVNSMBCNDCF-UHFFFAOYSA-N	230.263	3.076	0	50	BGAA	
O=Cc1cc2cc(Br)ccc2o1	4277336	UPEGFMDITWHVHV-UHFFFAOYSA-N	225.041	3.008	0	50	BGAA	biogenic,in-vitro
CC(C)Oc1ccc(OC(F)(F)F)cc1	39566097	QISMBOWZVGNRFY-UHFFFAOYSA-N	220.190	3.372	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)C(C)(C)C)cc1	45363488	CJTIJYJPJJAEER-NSHDSACASA-N	219.328	3.218	0	50	BGAA	
CC1CCN(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)CC1	248533160	SJOYAYSSARONHN-MELADBBJSA-N	235.371	3.071	0	50	BGAA	
Cc1cnc([C@H](C)Nc2ccc(F)cc2)o1	309780009	MSIHPVWNNGRJCI-VIFPVBQESA-N	220.247	3.295	0	50	BGAA	
Cc1cc(C)c2nccc(-c3cncc(N)c3)c2c1	426737539	RMPGZMJKXHFGCI-UHFFFAOYSA-N	249.317	3.496	0	50	BGAA	
Cc1cocc1C(=O)Nc1ccc(C(C)C)nc1	928616390	HYWWJXJSHBEGBM-UHFFFAOYSA-N	244.294	3.359	0	50	BGAA	
CC(=O)c1ccc(NC(=O)C2CCCC2)cc1	384161	RWGSBGRQYWTLCV-UHFFFAOYSA-N	231.295	3.018	0	50	BGAA	
COC(=O)Nc1c(Cl)cccc1Cl	395151	ATABSDIEBKPYGM-UHFFFAOYSA-N	220.055	3.172	0	50	BGAA	
COc1cc(NCc2cccs2)cc(OC)c1	757577	RDMZOVCMVGVWOS-UHFFFAOYSA-N	249.335	3.377	0	50	BGAA	
COC(=O)[C@H](CC1CCCCC1)n1cccc1	1393013	IXJBCIMDMSGUPH-ZDUSSCGKSA-N	235.327	3.173	0	50	BGAA	
Clc1ccc([C@H]2CCCN2)cc1Cl	3732351	LTITXVXGJJQFJC-SNVBAGLBSA-N	216.111	3.418	0	50	BGAA	in-vitro
CC(=O)CCCCC(=O)c1ccccc1	34484858	WMQUXDYWSTWBNC-UHFFFAOYSA-N	204.269	3.019	0	50	BGAA	
C[C@H](c1ccccc1)c1ccc(O)cc1O	38325513	PQSXNIMHIHYFEE-SNVBAGLBSA-N	214.264	3.250	0	50	BGAA	in-vivo
O=Cc1cc(Cl)nc(-c2ccc(F)cc2)c1	43162866	IXGZGRQZKXOFBE-UHFFFAOYSA-N	235.645	3.354	0	50	BGAA	
Cc1cc(Cl)c(C(F)(F)F)cc1N	91252187	LBGVIKJNTVKSHL-UHFFFAOYSA-N	209.598	3.249	0	50	BGAA	
Oc1ccc(F)cc1Cc1ccccc1	95100049	KLRUNOWUDSKDTH-UHFFFAOYSA-N	202.228	3.122	0	50	BGAA	in-vitro
CC[C@@H](C)Cc1nc(C)nn1Cc1ccccc1	95502564	GIPGKUZJKRJDDC-GFCCVEGCSA-N	243.354	3.223	0	50	BGAA	
C[C@H](O)c1cccc(-c2ccccc2N(C)C)c1	426715792	ALNJSXULAJMSLX-LBPRGKRZSA-N	241.334	3.473	0	50	BGAA	
C=CC(=O)Nc1ccc(-c2nc(C)cs2)cc1	1120549675	LNVLTVAKJAAUFC-UHFFFAOYSA-N	244.319	3.243	0	50	BGAA	
Clc1cccc(OCCN2CCCCC2)c1	227417	ZEFAJVJOQVQPBW-UHFFFAOYSA-N	239.746	3.205	0	50	BGAA	
O[C@@H](c1ccccc1)c1ccc(Cl)cc1	388154	AJYOOHCNOXWTKJ-ZDUSSCGKSA-N	218.683	3.422	0	50	BGAA	biogenic,in-vitro
Cc1cc(C)cc(NC(=O)NCC(C)C)c1	397182	KVISGSGFDJWCKD-UHFFFAOYSA-N	220.316	3.081	0	50	BGAA	
O=C(Nc1ccccc1)c1c(F)cccc1F	439320	AIKOEZLWSYWGMW-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
Cc1ccc(CNc2cccc(C(=O)O)c2)cc1	575149	MBDSGNUQFHBYSE-UHFFFAOYSA-N	241.290	3.305	0	50	BGAA	
Cc1cc(C)c(NC(=O)c2ccncc2)c(C)c1	856052	JQVNCOJSXBUYBR-UHFFFAOYSA-N	240.306	3.259	0	50	BGAA	
Cc1ccc(NC(=O)c2ccoc2C)c(C)c1	6271715	IEOWXRSUCPPQJJ-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
CC(C)c1ccc([C@H](C)NC(=O)C2CC2)cc1	6729056	AZPPIJTUDHJROW-NSHDSACASA-N	231.339	3.397	0	50	BGAA	
CCCc1ccc(C(=O)NCc2ccco2)cc1	13328588	CHXYPBLPWMBSRH-UHFFFAOYSA-N	243.306	3.162	0	50	BGAA	
CC(C)CNc1ccc(-c2ccc(F)cc2)nn1	20745693	QAQUKDUYEAJDFL-UHFFFAOYSA-N	245.301	3.351	0	50	BGAA	
Cc1ccc(/C=C/C(=O)O)c(Cl)c1Cl	263623166	FHNMUHMNFWOKKD-SNAWJCMRSA-N	231.078	3.400	0	50	BGAA	
CCOC(=O)c1cc(O)c2scc(C)c2c1	396380071	HNYDIYQQZHMHAV-UHFFFAOYSA-N	236.292	3.092	0	50	BGAA	
C=CC(=O)N[C@@H](CC)c1ccc(Cl)s1	1335288311	XODXRXUKPHFXQY-ZETCQYMHSA-N	229.732	3.155	0	50	BGAA	
Cc1cc(C)c(NC(=O)c2cccnc2)c(C)c1	121193	KUFMVQNTVFYBGQ-UHFFFAOYSA-N	240.306	3.259	0	50	BGAA	
CC(=O)c1ccc(F)c(C(F)(F)F)c1	157325	SYFHRXQPXHETEF-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	in-vitro
CCCCOC(=O)Nc1ccc(N(C)C)cc1	1770726	VOTCCOIRKVNYBY-UHFFFAOYSA-N	236.315	3.101	0	50	BGAA	
OCCCc1ccc(OCc2ccccc2)cc1	2511828	FZALPKMIIYFLAP-UHFFFAOYSA-N	242.318	3.191	0	50	BGAA	biogenic,in-vitro
CC(C)N1C[C@H](C)[C@@](O)(c2ccccc2)C[C@H]1C	4359581	SIPPYVOQXDDGOR-SQWLQELKSA-N	247.382	3.013	0	50	BGAA	
C/C=C\C(=O)Nc1cccc(C(F)(F)F)c1	4828554	YMUJNXBVYSCKFI-RQOWECAXSA-N	229.201	3.220	0	50	BGAA	
Cc1cc(-c2ccccc2)nc(Cl)n1	25491419	XLNXAKAMPPMGDS-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	
Cc1ccccc1S(=O)(=O)c1ccccc1C	32221350	KZCDMIJHGSSDFO-UHFFFAOYSA-N	246.331	3.136	0	50	BGAA	
Clc1ccc(-c2cnccn2)cc1Cl	34596017	LMKCKLHDJRAHMG-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
CNC(=O)c1cc(-c2ccc(Cl)cc2)oc1C	36646404	AEWSTRFKRCVQFG-UHFFFAOYSA-N	249.697	3.268	0	50	BGAA	
CC(C)CCNC(=O)c1ccc(Cl)cc1F	50825201	BCTZFNYAHQEGAM-UHFFFAOYSA-N	243.709	3.255	0	50	BGAA	
CC(C)[C@H](C)N(Cc1c[nH]cn1)Cc1ccco1	55245377	MEGNGGJBCRQLLD-LBPRGKRZSA-N	247.342	3.049	0	50	BGAA	
COCC(COC)(CC(C)C)CC(C)C	60005406	PVWCLOAAEFMTLH-UHFFFAOYSA-N	216.365	3.358	0	50	BGAA	
C1=C(CCn2ccnc2[C@@H]2CCOC2)CCCC1	67674012	REEOTGUEHPVTPF-CQSZACIVSA-N	246.354	3.278	0	50	BGAA	
CC(C)(c1cccc(C=O)c1)C(F)(F)F	142925943	ROKZGERAJZMSAY-UHFFFAOYSA-N	216.202	3.339	0	50	BGAA	
CC(C)CC1(C(=O)Nc2cccnc2)CCC1	154548213	FJOATTYVHHONGP-UHFFFAOYSA-N	232.327	3.237	0	50	BGAA	
C[C@@H]1C[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1	225592208	BKNHEFQPWPQULX-KCJUWKMLSA-N	239.278	3.341	0	50	BGAA	
c1ccc2c(c1)CC[C@H]2CSc1nncs1	241466039	NUBRHICTLLKTDO-JTQLQIEISA-N	248.376	3.360	0	50	BGAA	
COc1cccc(F)c1-c1nccn1C1CC1	1875251531	RRAQPEVTMIVBOR-UHFFFAOYSA-N	232.258	3.033	0	50	BGAA	
C[C@H](O)c1cc(-c2cnn3c2CCCC3)cs1	1875291819	MOAKNAJTJZMJKL-VIFPVBQESA-N	248.351	3.001	0	50	BGAA	
COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1	51335	WHIISYUHGILSKQ-UHFFFAOYSA-N	229.279	3.085	0	50	BGAA	
Cc1cc2c3nonc3ccc2n1-c1ccccc1	199221	LVQIYCDNKKYDRW-UHFFFAOYSA-N	249.273	3.475	0	50	BGAA	
Cc1cccc(NC(=O)C2[C@H]3CCCC[C@H]23)c1	300916	RVRGKIYDOLOVIA-STQMWFEESA-N	229.323	3.370	0	50	BGAA	
CCCCC(=O)Nc1ccc(N2CCCC2)cc1	3116937	PUQJEPLTTMPSLX-UHFFFAOYSA-N	246.354	3.416	0	50	BGAA	
CCNCCOc1cc(C(C)C)ccc1C	6703077	CRGYJPRQGWBMLI-UHFFFAOYSA-N	221.344	3.107	0	50	BGAA	
Cc1ccc2nc([C@@H](F)OC(F)(F)F)[nH]c2c1	19219677	DCLOSCFPNJJECN-QMMMGPOBSA-N	248.179	3.376	0	50	BGAA	
Cc1ccc2nccc(Br)c2c1	26507952	UMYVTXZXVRDOMW-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
NC1(c2ccccc2F)CCC(F)(F)CC1	255189744	RTDSDYHZPMTBNK-UHFFFAOYSA-N	229.245	3.189	0	50	BGAA	
CC(=O)c1sccc1-c1cccc2ccnn12	534639140	CBOVBYDQVQXHPZ-UHFFFAOYSA-N	242.303	3.265	0	50	BGAA	
Cc1nccn1C[C@H](C)NCCCC1CCCC1	584902161	AIIQXZWHYUYWGV-ZDUSSCGKSA-N	249.402	3.140	0	50	BGAA	
COc1ccc(-c2c(Cl)cnn2C)c(C)c1	904780246	XBEZCLCLMZHSRJ-UHFFFAOYSA-N	236.702	3.058	0	50	BGAA	
CC(=O)N1c2ccccc2[C@H](C)CC1(C)C	36976	DICCKTLYSLKYNN-SNVBAGLBSA-N	217.312	3.325	0	50	BGAA	
O=Cc1ccc(-c2ccc(Cl)cc2)o1	39144	ROJGJNINTRCMBL-UHFFFAOYSA-N	206.628	3.413	0	50	BGAA	biogenic,in-vitro
CO[C@H](c1ccccc1)[C@@H](O)c1ccccc1	405274	DAUUWYCGIFAYBG-LSDHHAIUSA-N	228.291	3.108	0	50	BGAA	
Cc1ccc(C[C@H](N)c2ccccc2)cc1	2559332	ZICDZTXDTPZBKH-HNNXBMFYSA-N	211.308	3.238	0	50	BGAA	in-vitro
c1ccc2c(SC3=NCCS3)nccc2c1	5572541	LADRYNQAVHUTCK-UHFFFAOYSA-N	246.360	3.430	0	50	BGAA	
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1C	6389551	CHRRRAKWNZUILO-UHFFFAOYSA-N	247.294	3.052	0	50	BGAA	
CCC(C)(C)NC(=O)Nc1ccccc1OC	6741815	NHZQVRMGWSKXDK-UHFFFAOYSA-N	236.315	3.005	0	50	BGAA	
CC[C@H](C)Oc1ccc(C(=O)N[C@H](C)CC)cc1	10290982	VMGCUMAXMPPSGD-NEPJUHHUSA-N	249.354	3.392	0	50	BGAA	
CC(C)NCc1ccc(Cl)cc1Cl	10435855	ZRTOSIHDTPDTMZ-UHFFFAOYSA-N	218.127	3.491	0	50	BGAA	
CC(C)[C@H](N)c1ccc(Br)cc1	19420763	SOYPVVIXRRAUTP-JTQLQIEISA-N	228.133	3.105	0	50	BGAA	
O=C(O)/C=C1\CCCC[C@@H]1c1ccccc1	62572109	DCESOIYNTQELMW-RSKUSDAESA-N	216.280	3.355	0	50	BGAA	
Nc1c(C(F)(F)F)ccc(Cl)c1F	71867329	ZHDSWEWAMCTWAZ-UHFFFAOYSA-N	213.561	3.080	0	50	BGAA	
Brc1ocnc1-c1ccccc1	141735974	AJSYUPQDOBPXGA-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	
Cc1cc(F)ccc1-c1ccc(OC(C)C)nn1	426521112	ABLGYWSWCVACGA-UHFFFAOYSA-N	246.285	3.378	0	50	BGAA	
COC(=O)c1cccc2c1NC(C)(C)C[C@H]2C	616591767	RGRKMDHVYJTEQO-SECBINFHSA-N	233.311	3.171	0	50	BGAA	
CCOc1ccc(NC(=O)NC(C)(C)C)cc1	98725	GIFYSRSYORMVRS-UHFFFAOYSA-N	236.315	3.005	0	50	BGAA	
O=C(O)/C=C/c1c(Cl)cccc1Cl	145548	OIPVGRCXMFBNAN-SNAWJCMRSA-N	217.051	3.091	0	50	BGAA	biogenic,in-vitro
Cc1ccc(NC2=NC[C@H](C)S2)c(C)c1	247170	QZEPGSQSOWIZNM-JTQLQIEISA-N	220.341	3.207	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)N1CCCCC1	392874	IVUYRYBRGRYGFO-UHFFFAOYSA-N	238.718	3.358	0	50	BGAA	
CCN(CC)CCNc1cccc(Cl)c1	1683212	ZZKMDVYMXCIPIF-UHFFFAOYSA-N	226.751	3.094	0	50	BGAA	
CCCCN(CC)C(=O)SCCC	2039913	SGEJQUSYQTVSIU-UHFFFAOYSA-N	203.351	3.372	0	50	BGAA	in-vitro
CSc1ccc(OC(F)(F)F)cc1	2379381	WGEFOOYHACYBNE-UHFFFAOYSA-N	208.204	3.307	0	50	BGAA	in-vitro
C[C@H]1CCC[C@H](C)N1C(=O)Cc1ccccc1	4019969	MLILZFACFPQHDN-STQMWFEESA-N	231.339	3.019	0	50	BGAA	
Oc1ccc(C(F)(F)F)cc1Br	4290331	DTEDKIRYMYDIGO-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
Cc1ccc(C)c(NC(=O)OCC(F)(F)F)c1	4760341	GXTLLKATDGKTSM-UHFFFAOYSA-N	247.216	3.414	0	50	BGAA	
CCCN(CCC)Cc1ccc(C(=O)O)cc1	8727512	KHELOHWCQVWTSY-UHFFFAOYSA-N	235.327	3.007	0	50	BGAA	
CSc1ccc(Br)c(F)c1	12471941	SUZAIHLOLUYRJG-UHFFFAOYSA-N	221.094	3.310	0	50	BGAA	in-vitro
CCc1ccc([C@H](N)c2ccc(F)cc2)cc1	19968546	MKJZPYRRQQJARV-HNNXBMFYSA-N	229.298	3.436	0	50	BGAA	
Nc1ccc(-c2cc3cc(N)ccc3o2)cc1	38254333	FKMCNLLISWDXJQ-UHFFFAOYSA-N	224.263	3.264	0	50	BGAA	in-vitro
Cc1ccc(-c2nccn2C[C@@]2(C)CCCO2)o1	82083228	BWYGIGRMXZYFQY-CQSZACIVSA-N	246.310	3.021	0	50	BGAA	
Cc1nc(Cl)c(Br)cc1Cl	95495979	VCGADSQPTWOGBO-UHFFFAOYSA-N	240.915	3.459	0	50	BGAA	
C[C@H]1CC(C)(C)C[C@H]1NCc1nccs1	192391017	JRPPSBCPNMNQKV-VHSXEESVSA-N	224.373	3.057	0	50	BGAA	
COC(C)(C)[C@H]1CCCN1Cc1ccccc1	215583154	UXSHWCARSAJKIO-CQSZACIVSA-N	233.355	3.076	0	50	BGAA	
Cc1nc(Cc2cccc(Cl)c2)nn1C(C)C	670472643	QXRRZLFKBNLFAK-UHFFFAOYSA-N	249.745	3.412	0	50	BGAA	
Cc1cc(C)c(-c2ccc(C=O)cn2)c(C)c1	725246074	QXDQERCBVSSAGR-UHFFFAOYSA-N	225.291	3.486	0	50	BGAA	
O=C(N[C@H]1C[C@@H]1c1ccccc1)c1cccs1	128355	UDQIVIZMQAGWRK-NEPJUHHUSA-N	243.331	3.034	0	50	BGAA	
Cc1sc(C(=O)O)c(-n2c(C)ccc2C)c1C	207825	FJEQPPDVCVKRQF-UHFFFAOYSA-N	249.335	3.471	0	50	BGAA	
Oc1ccc2sc3ccc(O)cc3c2c1	972904	ORACUDSQEWJAQK-UHFFFAOYSA-N	216.261	3.466	0	50	BGAA	
CC[n+]1ccc(/C=C\c2ccccc2)cc1	4582469	KQIKBCIUKCVUAH-HJWRWDBZSA-N	210.300	3.164	0	50	BGAA	
Cc1ccc(NC(=O)Cc2ccccc2)cc1F	5050690	ACFOKHNFQQLKAP-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
CC(C)(C)c1ccc(C(C)(C)C(=O)O)cc1	7023338	OHAKGGAAZZPXLJ-UHFFFAOYSA-N	220.312	3.346	0	50	BGAA	in-vitro
CCOC(=O)N[C@@H](C)c1ccc(C)cc1C	13321467	HLJPQYKZZDQUOO-NSHDSACASA-N	221.300	3.111	0	50	BGAA	
Clc1ccc(Cl)c(-c2cc[nH]n2)c1	14807960	HMOQLQHUOBDQKS-UHFFFAOYSA-N	213.067	3.384	0	50	BGAA	in-vitro
COc1cccc(CNCCc2ccccc2)c1	19565666	TYYKFCZFMJZMIA-UHFFFAOYSA-N	241.334	3.028	0	50	BGAA	in-vitro
Oc1cc(Br)c(Cl)cc1Cl	49587130	LZEBXZCABIQUQF-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	
Cc1c(Cl)cc2nc(N)oc2c1Cl	71981119	UUIBOAQAQMODPG-UHFFFAOYSA-N	217.055	3.025	0	50	BGAA	
OCC12C3c4ccccc4[C@@H]1[C@H]2c1ccccc13	104949517	VGFGSYOSQGRUNO-JCCCHCCOSA-N	234.298	3.005	0	50	BGAA	
N[C@H](c1ccccc1)[C@@H]1C[C@H]1c1ccccc1	162185115	QKBBLALGXODMEM-ARFHVFGLSA-N	223.319	3.490	0	50	BGAA	
Cc1ccccc1CCCN1C[C@H]2CCC[C@@H]21	170665582	XYXKFEYDRKZHGA-CVEARBPZSA-N	229.367	3.412	0	50	BGAA	
C[C@H]1[C@@H](C)[C@]1(Cl)[S@@](=O)c1ccccc1	242463981	DRPZLGXYIYMOSV-SAOAKYDJSA-N	228.744	3.015	0	50	BGAA	
Cc1ccccc1[C@H](C)NC[C@H]1CCCC[C@H]1O	247043843	QDENVOWRQYNNAR-SQWLQELKSA-N	247.382	3.197	0	50	BGAA	
Cc1ccc(C)c2c1cc(C)c1nnc(S)n12	665887178	AQHCBBQWLVODKG-UHFFFAOYSA-N	243.335	3.096	0	50	BGAA	
Cc1nc(-c2c(C)noc2C)c2sccc2n1	1242102697	BFDWTZWEBRXZET-UHFFFAOYSA-N	245.307	3.272	0	50	BGAA	
Cc1ccc(OCc2nc3ccccc3[nH]2)cc1	79203	NSQSYMQZJMZXRY-UHFFFAOYSA-N	238.290	3.450	0	50	BGAA	
COc1cc(Nc2ccccc2)ccc1N	120608	PSLCQHFPBXQZLI-UHFFFAOYSA-N	214.268	3.021	0	50	BGAA	in-vitro
COc1ccc(C(=O)c2ccccc2F)cc1	156372	POAARNGQBDUHLI-UHFFFAOYSA-N	230.238	3.065	0	50	BGAA	biogenic
COc1ccccc1CNc1ccccc1	263167	OOANTTZQXLUEIE-UHFFFAOYSA-N	213.280	3.307	0	50	BGAA	
CCC(=O)[C@@H](CC)c1cccc(OC)c1	393741	APOLAIBEAIHBSO-LBPRGKRZSA-N	206.285	3.168	0	50	BGAA	in-vitro
c1ccc(NCCNc2ccccc2)cc1	1648199	NOUUUQMKVOUUNR-UHFFFAOYSA-N	212.296	3.211	0	50	BGAA	biogenic,in-vitro
CCc1ccccc1OCCCN[C@H](C)CC	2822819	PMBZIGPMCXEXSW-CYBMUJFWSA-N	235.371	3.406	0	50	BGAA	
O[C@H](c1ccccc1)c1ccc(F)c(F)c1	4254945	NWCMBBGRVWVVGB-CYBMUJFWSA-N	220.218	3.047	0	50	BGAA	
C(=C/c1nc(-c2cccnc2)no1)\c1ccccc1	4306444	YBWXOJJHLJGREL-CMDGGOBGSA-N	249.273	3.302	0	50	BGAA	
CC(C)N1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C	4359587	SIPPYVOQXDDGOR-LZWOXQAQSA-N	247.382	3.013	0	50	BGAA	
Cc1ccc(C(C)(C)C[C@@H](C)NC2CC2)o1	22077615	AMCSADWBUNPKTE-SNVBAGLBSA-N	221.344	3.396	0	50	BGAA	
CN(CC1CCCCC1)C[C@@H](O)c1ccccc1	23281052	RFXDFZSLQRIGGP-MRXNPFEDSA-N	247.382	3.232	0	50	BGAA	
Cc1ccc(C)c([C@@H](C)NC(=O)C(C)C)c1	42671340	VSKZQRZZYPAVIS-GFCCVEGCSA-N	219.328	3.137	0	50	BGAA	
Cc1ccc(CN)c(OCCCC(C)C)c1	51580863	YPGANNUPNCUEJG-UHFFFAOYSA-N	221.344	3.269	0	50	BGAA	in-vitro
CC[C@H](C)N(Cc1ccsc1)Cc1ncc[nH]1	55036650	BCKVOANUTQWNCM-NSHDSACASA-N	249.383	3.272	0	50	BGAA	
Cc1ccc(-c2ccc(N)nc2)c2cccnc12	67879557	GASOADIPWFJBRB-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
O=C1CCc2c(Br)cc(Cl)cc21	88611576	WCCKBUGGMIUBNX-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	in-vitro
CC(C)(F)c1nc(-c2cccc(F)c2)no1	170591341	DDNOCLNORANGCM-UHFFFAOYSA-N	224.210	3.080	0	50	BGAA	
CCCCCC[C@H](C)N[C@@H](C)c1cn[nH]c1	222513345	PRPFUBSTUIUSDZ-RYUDHWBXSA-N	223.364	3.419	0	50	BGAA	
O=C(C1CC2(CCC2)C1)N1[C@H]2CCC[C@H]1CC2	335392769	NMUQLHQJFRGFFL-STQMWFEESA-N	233.355	3.110	0	50	BGAA	
FC1(F)C[C@@H]1Cn1ccnc1-c1cccs1	691163064	FBZQKBHUMKATLY-MRVPVSSYSA-N	240.278	3.267	0	50	BGAA	
Cc1ccc(-c2nccn2[C@@H]2CC[C@H](O)C2)s1	1875244925	ARUDXLBLVGIQLB-MNOVXSKESA-N	248.351	3.006	0	50	BGAA	
S=c1oc2ccccc2n1CN1CCCCC1	402538	RGXKSWQEHRALRO-UHFFFAOYSA-N	248.351	3.407	0	50	BGAA	biogenic
Nn1c2ccccc2n2cc(-c3ccccc3)cc12	434678	GSPZEOQBFXETGF-UHFFFAOYSA-N	247.301	3.275	0	50	BGAA	
CN(C)CCn1c2ccccc2c2ccccc21	1764875	PMWWYUOBIQPGJM-UHFFFAOYSA-N	238.334	3.356	0	50	BGAA	
O=C(O)c1cc2c(Cl)ccc(Cl)c2[nH]1	2582701	LMYQVAQDBJJBEM-UHFFFAOYSA-N	230.050	3.173	0	50	BGAA	in-vitro
CCCN1CCC(N2CCCC[C@@H]2CC)CC1	4989323	NBAUYNBZECNEEQ-AWEZNQCLSA-N	238.419	3.125	0	50	BGAA	
CCc1ccc(C(=O)NCCC(C)C)cc1	16603378	QAZGDYKGXKTLJF-UHFFFAOYSA-N	219.328	3.025	0	50	BGAA	
Nc1ccccc1-c1cc2nc(Cl)ccc2[nH]1	40450030	GBTFIASRYOSMNN-UHFFFAOYSA-N	243.697	3.466	0	50	BGAA	
Cc1nn(CCCNC2CCCCC2)c(C)c1C	53540454	QIZGHLJPQVKXQD-UHFFFAOYSA-N	249.402	3.121	0	50	BGAA	
COc1cnc(Br)c2ccccc12	95831207	YCFPDPSSGCHYGR-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
Cc1ccc(NC[C@@H]2CC=CCC2)nc1	121607919	OQGCDBGPVVAQAN-GFCCVEGCSA-N	202.301	3.158	0	50	BGAA	
C[Si](C)(C)[Si](C)(C)c1ccccc1	169816787	IVLANTKDSMBTNH-UHFFFAOYSA-N	208.453	3.019	0	50	BGAA	
CN1CCCC[C@H]1CCc1cccs1	200493570	VJIPUAKSTJVNAJ-NSHDSACASA-N	209.358	3.165	0	50	BGAA	
CC1=CC[C@@H]2C(=O)[C@@H]3CC(C)=CC[C@@H]3C(=O)[C@@H]2C1	216549461	KPSCBYIEVIABQP-IGQOVBAYSA-N	244.334	3.083	0	50	BGAA	
O=Cc1ccc2noc(-c3ccccc3)c2c1	169949	HBKIUYNVKNTXMD-UHFFFAOYSA-N	223.231	3.307	0	50	BGAA	in-vitro
Cc1occc1C(=O)NC1CCCCCC1	442246	TWTRHBRADIAGHD-UHFFFAOYSA-N	221.300	3.041	0	50	BGAA	
CC[C@@H](C)NC(=S)Nc1cccc(C)c1	472892	GXGVXHAWMUQMAE-SNVBAGLBSA-N	222.357	3.080	0	50	BGAA	
FC(F)(F)c1ccc2c(c1)N1CCC[C@H]1CN2	1385105	OMYRTCMROMLKSB-VIFPVBQESA-N	242.244	3.100	0	50	BGAA	
Clc1cccc(CSC2CCNCC2)c1	2529348	MYGAKMJZJUEFJP-UHFFFAOYSA-N	241.787	3.325	0	50	BGAA	
O=C(Nc1ccc(C(F)(F)F)cc1)C1CCC1	3017552	SLKMIBHDPULDLO-UHFFFAOYSA-N	243.228	3.444	0	50	BGAA	
COc1cccc2c(C)cc(Cl)nc12	5010836	QNPCWPGFFYFJCJ-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
CCCC[C@H](CO)N[C@H](C)CCc1ccccc1	32592814	FEJDGPLMLCGCDK-GDBMZVCRSA-N	249.398	3.148	0	50	BGAA	
CNc1ccc(Cl)cc1Br	39278287	GIGLYMLSXIZDDH-UHFFFAOYSA-N	220.497	3.144	0	50	BGAA	in-vitro
C[C@@H](CNC1CCSCC1)c1cccs1	119450641	JMTWYVRUMVJMCS-JTQLQIEISA-N	241.425	3.337	0	50	BGAA	
O=C(N[C@@H]1C=CCCC1)c1cccc2[nH]ccc12	137308365	OGLCAXLDAPGXCI-LLVKDONJSA-N	240.306	3.006	0	50	BGAA	
CC[C@@H](C)NC(=O)Nc1ccc2cc[nH]c2c1	194245126	UCHCXSLXSITDDD-SECBINFHSA-N	231.299	3.088	0	50	BGAA	
Clc1nc2ccc(Br)nc2s1	238566109	SDZVRGYHXUIPEL-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
Cc1cc(F)cc(OC(F)(F)F)c1F	263624197	OGYOKRWSMDFLTH-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
Cc1nc(-c2ccnn2C(C)C)cc(C(C)C)n1	426472996	VLOWPJPDUZIPBA-UHFFFAOYSA-N	244.342	3.353	0	50	BGAA	
CCOC(=S)SCc1cccnc1Cl	1857775473	NZIGWQKUFPSXNR-UHFFFAOYSA-N	247.772	3.290	0	50	BGAA	
Cc1cccc(NC(=O)CC2CCCCC2)n1	317589	KQJWUIZYUJXQAG-UHFFFAOYSA-N	232.327	3.299	0	50	BGAA	
O[C@H](c1cccs1)c1nccc2ccccc12	333006	JTOLXTYEZMNSNR-CQSZACIVSA-N	241.315	3.378	0	50	BGAA	
CCC(=O)Nc1cc(Cl)ccc1Cl	1597174	XZFDPOAJQUPNKG-UHFFFAOYSA-N	218.083	3.342	0	50	BGAA	
CCCCC[C@@H](C)NC(=O)c1ccccc1	3115888	WRVRHPTWOJUQQH-GFCCVEGCSA-N	219.328	3.385	0	50	BGAA	
CCOc1c(Cl)cc(CNC)cc1Cl	10474717	IDNJACGVOVGECO-UHFFFAOYSA-N	234.126	3.112	0	50	BGAA	
CCOC(=O)c1c(-c2ccc(C)cc2)noc1C	39956245	BQWYMPCDJUKWRB-UHFFFAOYSA-N	245.278	3.135	0	50	BGAA	
Fc1ccc2c(S)nc(Cl)cc2c1	95099982	JAOIDCZUAMDYHY-UHFFFAOYSA-N	213.664	3.316	0	50	BGAA	
CC[C@@H](C)c1cc(O)nc(-c2ccccc2)n1	1776004250	PNZATELXRJLSNK-SNVBAGLBSA-N	228.295	3.363	0	50	BGAA	
CC[C@@H](C(=O)Nc1nccs1)c1ccccc1	30514	HFMXVXVFGOZHQL-LLVKDONJSA-N	246.335	3.275	0	50	BGAA	
C[C@H](NC(=O)c1cccc(F)c1)c1ccccc1	361429	HGJLVZOCLCPNQZ-NSHDSACASA-N	243.281	3.317	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cc(Cl)ccn1	1439031	ATOQLEMIFREXLS-UHFFFAOYSA-N	228.679	3.082	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1cc(N)ccc1Cl	2599342	FRDRXAUCXAXVHO-UHFFFAOYSA-N	242.706	3.269	0	50	BGAA	
c1ccc2sc([C@H]3CCCCN3)nc2c1	3734755	QXJHTXUNRZNJKT-SNVBAGLBSA-N	218.325	3.111	0	50	BGAA	in-vitro
O[C@H]1CCCCCc2ccc(cc2)CCC1	4530398	QYPULOGCXZHATA-HNNXBMFYSA-N	218.340	3.487	0	50	BGAA	
C[C@H](CC(=O)O)Nc1ccc(Cl)c(Cl)c1	5276006	FQQKIYYXVGSHRK-ZCFIWIBFSA-N	248.109	3.269	0	50	BGAA	
O=C1CCCCc2ccc(Br)cc21	19726983	BBLCBJCONMZHBE-UHFFFAOYSA-N	239.112	3.358	0	50	BGAA	
CCc1ccnc(-c2nc3ccccc3[nH]2)c1	95100114	SMLBOGIWLRBTPL-UHFFFAOYSA-N	223.279	3.187	0	50	BGAA	
COC(=O)C[C@@H](c1cccc(O)c1)C1CCCC1	224682358	DREPTURAIYYBLC-CQSZACIVSA-N	248.322	3.229	0	50	BGAA	
Cc1cnccc1C(=O)N[C@@H](C)C1=CCCCC1	820723409	YIOILAGRXSPFFE-LBPRGKRZSA-N	244.338	3.009	0	50	BGAA	
Nc1ccc(-c2cnc3c(Cl)cccn23)cc1	1875340088	KNJHBZQLIPGEON-UHFFFAOYSA-N	243.697	3.237	0	50	BGAA	
Cc1ccc2oc(-c3cccc(N)c3)nc2c1	122953	YGMVUJGLTNKWJJ-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
C[C@H]1CCCN(Cc2ccnc3ccccc23)C1	213861	UAHPWGJFYXFZGB-ZDUSSCGKSA-N	240.350	3.467	0	50	BGAA	
CN(C)C(=O)N(C)c1ccc(Cl)c(Cl)c1	400481	PHMQAUXMGFUICG-UHFFFAOYSA-N	247.125	3.111	0	50	BGAA	
CCC[C@@H](C(=O)c1ccc(C)cc1)N1CCCC1	1849892	SWUVZKWCOBGPTH-HNNXBMFYSA-N	245.366	3.442	0	50	BGAA	in-man
O=C(O)c1ccccc1NCc1ccsc1	2324811	CQPYVRZZIPFQIS-UHFFFAOYSA-N	233.292	3.058	0	50	BGAA	
CCCCCCn1nc2ccccc2n1	5308762	NJIGIMNMVICQGF-UHFFFAOYSA-N	203.289	3.012	0	50	BGAA	
CNCc1ccc(OCc2cccs2)cc1	5910029	TUBYPRWSBDQWQL-UHFFFAOYSA-N	233.336	3.047	0	50	BGAA	
COc1cccc(CSc2nccc(C)n2)c1	6452076	JMFVFXNMVBHROM-UHFFFAOYSA-N	246.335	3.086	0	50	BGAA	
COc1ccc(C(=O)NC2CCCCC2)cc1C	9063942	RDKNLBHBBCJVOU-UHFFFAOYSA-N	247.338	3.066	0	50	BGAA	
CCN(CC)CCN(CC)[C@@H]1CCC[C@H](C)C1	22455630	LVJUHNAOMWUPSU-LSDHHAIUSA-N	240.435	3.229	0	50	BGAA	
c1ccc(C2(N[C@@H]3CCCSC3)CC2)cc1	134821122	QDSFPCHSWLANCY-CYBMUJFWSA-N	233.380	3.161	0	50	BGAA	
Cc1cccnc1COc1ccc(N)c(Cl)c1	161778874	AGTXMBJTPMSASA-UHFFFAOYSA-N	248.713	3.205	0	50	BGAA	
CC(=O)Nc1ccc2c(c1)C(C)=CC(C)(C)N2	253495867	UCJCNPDPQQYIBN-UHFFFAOYSA-N	230.311	3.252	0	50	BGAA	
c1ccc(CN[C@@H]2CC23CCCCC3)cc1	307062246	GDEWBGFZLYXYRZ-CQSZACIVSA-N	215.340	3.499	0	50	BGAA	
CCCN1C[C@H](C)[C@](O)(c2ccccc2)C[C@@H]1C	4031164	NZBMCFAPUPWLPQ-DZKIICNBSA-N	247.382	3.015	0	50	BGAA	
Cc1ccc(-n2nc(S)sc2=S)cc1	6556838	JRIZRBUYWMWWCM-UHFFFAOYSA-N	240.378	3.260	0	50	BGAA	
Cc1ccc2nc(C(F)(F)F)cc(O)c2c1	8648486	UNVMZLUVACVTDT-UHFFFAOYSA-N	227.185	3.268	0	50	BGAA	biogenic,in-vitro
CCCCCCOc1ccccc1C(=O)O	11958423	BVLVGYXYGXOSOG-UHFFFAOYSA-N	222.284	3.344	0	50	BGAA	
C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	13331214	VHENGDJHZSQEQQ-GMSGAONNSA-N	243.228	3.300	0	50	BGAA	
O=C(O)c1cccc(-c2cccc(Cl)c2)n1	35630162	GLIPKPBSIZTPBM-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
COC(=O)c1cc(Cl)cc(C(F)(F)F)c1	47202293	IGVFZOBJVRSBOE-UHFFFAOYSA-N	238.592	3.145	0	50	BGAA	
CCCC[C@H](CC)CNC(=O)c1ccccc1O	66324390	DOMCZOJLIRYAJT-LBPRGKRZSA-N	249.354	3.338	0	50	BGAA	
Cc1cnn(-c2ccc(NC(C)C)cc2F)c1	121860651	VZGLOHAIDLCROC-UHFFFAOYSA-N	233.290	3.140	0	50	BGAA	
CC(C)[C@H](C)CC(=O)N1CCC[C@@H]2CCC[C@@H]21	174255664	LUIRWYAZNQPLNQ-RDBSUJKOSA-N	237.387	3.460	0	50	BGAA	
CC(C)C(=O)N1CCC[C@]1(C)Cc1ccccc1	184015516	AJCDZKGPAOBYKL-MRXNPFEDSA-N	245.366	3.266	0	50	BGAA	
COc1cc(F)cc(/C=C/Br)c1	606288882	RKGXVGAJBCWUNF-NSCUHMNNSA-N	231.064	3.200	0	50	BGAA	
C=CC(=O)N(Cc1ccsc1)Cc1ccco1	685945085	TVRLFFOAMNWHNY-UHFFFAOYSA-N	247.319	3.056	0	50	BGAA	
CCCCNCCCOc1cc(C)cc(C)c1	2903426	FSBINGXPUBYXQF-UHFFFAOYSA-N	235.371	3.462	0	50	BGAA	
C[C@@H](N)Cc1c[nH]c2c1ccc1ccccc12	4229269	UONRZFDQJUGVBJ-SNVBAGLBSA-N	224.307	3.211	0	50	BGAA	
NC(=O)NC[C@@H](c1ccccc1)C1CCCCC1	6745817	AXBONUKITUAQNP-AWEZNQCLSA-N	246.354	3.019	0	50	BGAA	
CCOc1ccc(Br)c(F)c1F	16158751	OJZVBJOHBGYINN-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	in-vitro
CCOC(=O)[C@H](C)CSc1ccc(C)cc1	49849809	YHRIUYLDFFNULX-LLVKDONJSA-N	238.352	3.286	0	50	BGAA	
N#Cc1cc(-c2ccccc2F)[nH]c1Cl	113286278	YTRFYXSOSNPMDK-UHFFFAOYSA-N	220.634	3.346	0	50	BGAA	in-vitro
FC(F)(F)C(F)(F)c1ncccc1Cl	169677473	GVGDYIWXYRKJQX-UHFFFAOYSA-N	231.551	3.389	0	50	BGAA	
C1=C(CN2CCC[C@H](c3ncc[nH]3)C2)CCCC1	335575165	JSCDOFSOEMTFEG-AWEZNQCLSA-N	245.370	3.090	0	50	BGAA	
Cc1ccc(-c2ccc([C@H](C)N(C)C)cc2)nn1	426434504	QPQFLGDSKATNQZ-LBPRGKRZSA-N	241.338	3.075	0	50	BGAA	
Cc1ccc2ncc(-c3ccc(O)nc3)cc2c1	426546293	XKHHTUQLQIIRRW-UHFFFAOYSA-N	236.274	3.311	0	50	BGAA	
C[C@H](O)c1ccc(Cl)cc1N1CCCCC1	669369828	KYBWIACOEYMDGT-JTQLQIEISA-N	239.746	3.384	0	50	BGAA	
c1ccc(CCc2nc3ccccc3[nH]2)cc1	41858	BMLOBNVUJHKONU-UHFFFAOYSA-N	222.291	3.348	0	50	BGAA	in-vitro
Cc1ccc2c(c1)N(CCO)C(C)(C)C[C@H]2C	135496	DICAWUKDDRKZDZ-GFCCVEGCSA-N	233.355	3.080	0	50	BGAA	
C[C@@H](Cc1ccccc1)NC(=O)c1ccccc1	271922	JHFZSLHBOLBFEV-ZDUSSCGKSA-N	239.318	3.048	0	50	BGAA	biogenic
COC(=O)CCCc1ccc2ccccc2c1	397219	HHBCKGMAZYXROM-UHFFFAOYSA-N	228.291	3.336	0	50	BGAA	
O=C(Nc1cccc2ccccc12)NC1CC1	1722355	FKEQZELVGBYDLF-UHFFFAOYSA-N	226.279	3.124	0	50	BGAA	
c1ccc(C[n+]2cccc3ccccc32)cc1	1726653	VQGBPCIONNQYIL-UHFFFAOYSA-N	220.295	3.176	0	50	BGAA	
FC1(F)CC(Cl)(Cl)[C@@]1(F)Cl	2168361	YMUQFZZNJWUHMC-BYPYZUCNSA-N	213.413	3.104	0	50	BGAA	
c1ccc2sc([C@H]3CCCN3)cc2c1	3732431	XXJFJEFPNFNWGX-SNVBAGLBSA-N	203.310	3.326	0	50	BGAA	in-vitro
CCCc1cc(C(=O)NCc2ccco2)cs1	13328594	UVPYSDLMEPXJOY-UHFFFAOYSA-N	249.335	3.224	0	50	BGAA	
Nc1nc(-c2ccccc2Cl)cs1	18228565	GWXQQHVBVMLZLU-UHFFFAOYSA-N	210.689	3.046	0	50	BGAA	in-vitro
COC1(c2ccc(Br)cc2)CC1	142524046	LSHNHBIMENYOQK-UHFFFAOYSA-N	227.101	3.085	0	50	BGAA	
Cc1cc(F)ccc1C(=O)OC(C)(C)C	146747376	ISDIZGDKSIREQW-UHFFFAOYSA-N	210.248	3.089	0	50	BGAA	in-vitro
CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	245725028	QTNWWIGMZKANTK-HZSPNIEDSA-N	237.387	3.461	0	50	BGAA	
CCOC(=O)c1cc2ccc(Cl)cc2o1	259771442	VRFLUTDLJWMWEU-UHFFFAOYSA-N	224.643	3.263	0	50	BGAA	
C[C@H](NC(=O)c1ccccc1F)c1ccccc1	59860	VIRPPWOXGYLSSI-NSHDSACASA-N	243.281	3.317	0	50	BGAA	
COc1ccc(-n2cnc3ccccc32)cc1	184073	KLXBTJMLKGVJTR-UHFFFAOYSA-N	224.263	3.034	0	50	BGAA	
Cc1ccc(NC2=NC[C@@H](C)S2)c(C)c1	247167	QZEPGSQSOWIZNM-SNVBAGLBSA-N	220.341	3.207	0	50	BGAA	
Cc1ccccc1C(=O)N[C@@H]1CCC[C@H](C)C1	406461	VRNVLOAFVPQDRX-WCQYABFASA-N	231.339	3.304	0	50	BGAA	
CCCc1cc(=O)oc2cc(C)cc(OC)c12	1165186	IKAOWCOXGXNXHS-UHFFFAOYSA-N	232.279	3.063	0	50	BGAA	biogenic
CC(C)(C)c1ccc(O)c(Br)c1	1640858	FFRLMQPMGIMHHQ-UHFFFAOYSA-N	229.117	3.452	0	50	BGAA	in-vitro
CCCCc1cc(=O)oc2c(C)c(O)ccc12	1902771	MDWSJIOFAJKBJY-UHFFFAOYSA-N	232.279	3.150	0	50	BGAA	biogenic
COc1cccc(COc2ccc(C=O)cc2)c1	2558330	QWOBYPRZSFOAJQ-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro
O=C(O)COC1(Cc2ccccc2)CCCCC1	4789110	ZSBSKALVTOFAAS-UHFFFAOYSA-N	248.322	3.033	0	50	BGAA	
Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1	6092566	LHPRYOJTASOZGJ-UHFFFAOYSA-N	242.230	3.217	0	50	BGAA	endogenous,in-man
CCCCC(=O)Nc1cc(F)ccc1F	13326790	CYOWDABLNNQDEG-UHFFFAOYSA-N	213.227	3.094	0	50	BGAA	
CCC(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1	13614051	ITJMHVFLWWTADM-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
COc1cc(-c2ccc(O)cc2)ccc1F	65340010	HSXMZCABXXDPEM-UHFFFAOYSA-N	218.227	3.207	0	50	BGAA	in-vitro
CCOCCCSc1ccoc1C	131508615	UGIGSOCDCVWKLN-UHFFFAOYSA-N	200.303	3.107	0	50	BGAA	
CNc1ccccc1-c1ccccc1NC	142044976	UXWWGYVYVDGDTR-UHFFFAOYSA-N	212.296	3.437	0	50	BGAA	in-vitro
C=Cc1ccc(OC(F)(F)F)c(F)c1	201680133	JWNBESVFLXPXFS-UHFFFAOYSA-N	206.138	3.367	0	50	BGAA	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)C1CCCC1	247723425	BZXOABZMDMMILA-NIFZNCRKSA-N	247.382	3.118	0	50	BGAA	
C=CC(=O)NC1(Cc2ccc(Cl)cc2)CCC1	863971407	RYDYOHPEJOEZGN-UHFFFAOYSA-N	249.741	3.107	0	50	BGAA	
C=CC(=O)Nc1cccc([C@@H](F)C(F)(F)F)c1	1776004892	QDIVCKREUFAFFJ-SNVBAGLBSA-N	247.191	3.384	0	50	BGAA	
O=C(NC1CCCCCC1)c1ccc(F)cc1	29764	KKLOVEXTMZFRRQ-UHFFFAOYSA-N	235.302	3.278	0	50	BGAA	
COc1cc(C=O)ccc1OCc1ccccc1	35739	JSHLOPGSDZTEGQ-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro,metabolite
C[C@@H]1CC(C)(C)N=C(c2ccccc2)O1	155839	SWWPMSJGZDRNAG-SNVBAGLBSA-N	203.285	3.021	0	50	BGAA	
Cc1c(Cl)nc(C(C)(C)C)nc1Cl	343455	DACAJEXZIFEQLJ-UHFFFAOYSA-N	219.115	3.389	0	50	BGAA	
CC(=O)N1c2ccccc2[C@@]2(C)CCCC[C@@H]12	391675	XVIQHELYIGQADU-HUUCEWRRSA-N	229.323	3.253	0	50	BGAA	
Cn1cnc2cc(NCc3cccs3)ccc21	423366	YLBZKNMFTZNRGM-UHFFFAOYSA-N	243.335	3.247	0	50	BGAA	
CCc1ccc(OC(=O)OCC(C)C)cc1	1225270	FBLJWIWVAVXJNE-UHFFFAOYSA-N	222.284	3.420	0	50	BGAA	
CCCCC[C@@H](C)NC(=O)Cc1ccccc1	2060577	AXQPRWQTJNNBAO-CYBMUJFWSA-N	233.355	3.314	0	50	BGAA	
CCCCNCCOc1cc(C)ccc1C	2931723	MYUPGADJNIIIFE-UHFFFAOYSA-N	221.344	3.072	0	50	BGAA	
C[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	3039068	QURMOGAHPSNBBS-WFASDCNBSA-N	237.302	3.411	0	50	BGAA	biogenic
CCN(CC)CCOc1ccc(C)c(C)c1	4989740	IESDIKJUXXPARD-UHFFFAOYSA-N	221.344	3.024	0	50	BGAA	
Fc1ccc(OC(F)(F)C(F)F)cc1	16158613	HGSJHYRBXANKCM-UHFFFAOYSA-N	212.117	3.062	0	50	BGAA	in-vitro
CCc1ccccc1-c1cccc(CCN)c1	67650089	LSESFPGVRKMPQP-UHFFFAOYSA-N	225.335	3.417	0	50	BGAA	
COc1cncc(-c2cccc3[nH]ccc23)c1	67856383	IJNHSUWSCJEQQI-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	
CCOCc1cc(F)cc(Br)c1	86694868	JFYOWLCDMFBPGK-UHFFFAOYSA-N	233.080	3.125	0	50	BGAA	
CC(C)CC1(C(=O)N2C[C@H]3CC[C@H]2C3)CCC1	136397159	CRLJSDVBAXXDGP-STQMWFEESA-N	235.371	3.214	0	50	BGAA	
O=C(O[C@@H]1CCC(F)(F)C1)c1ccccc1	139755096	SFVDRZQDTHOSSY-SNVBAGLBSA-N	226.222	3.031	0	50	BGAA	
O=C(O)C[C@H](NC1CCCCC1)c1ccccc1	167934462	ZHYVPVXQMFGWSI-AWEZNQCLSA-N	247.338	3.125	0	50	BGAA	
C1=CC[C@H](CN[C@H](C2CCC2)[C@@H]2CCOC2)CC1	585138014	IDFFCIKNSCTNBB-NUEKZKHPSA-N	249.398	3.138	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@@H](C)C[C@@H]1C	757216212	YXKAOYDFFNYIMB-CCUNJIBTSA-N	243.354	3.178	0	50	BGAA	
C1=CC[C@@H](c2nccn2Cc2ccccn2)CC1	1875246513	QCASQPPSVNRDDT-CYBMUJFWSA-N	239.322	3.150	0	50	BGAA	
Fc1ccc(-c2cnc3c(Cl)cccn23)cn1	1875340085	KLHDUDVQDZKXLR-UHFFFAOYSA-N	247.660	3.189	0	50	BGAA	
O=C1Nc2ccccc2/C1=C/c1cccs1	136993	QMTIIBUDOBNABZ-FLIBITNWSA-N	227.288	3.241	0	50	BGAA	
c1ccc(SCCc2ccncc2)cc1	189707	XFLNVXUSNWPNOC-UHFFFAOYSA-N	215.321	3.416	0	50	BGAA	in-vitro
CCc1ccc(S(=O)(=O)c2ccccc2)cc1	399889	YMOQFMYBDGVJKE-UHFFFAOYSA-N	246.331	3.082	0	50	BGAA	
CCN(CC)c1ccc(NC(=O)NC(C)C)cc1	401501	JROQCBIWEGTXAP-UHFFFAOYSA-N	249.358	3.063	0	50	BGAA	
Cc1ccc2nc3c(c(C)c2c1)C[C@@H](C)O3	463131	LJMHHJNVTDVBHH-SECBINFHSA-N	213.280	3.175	0	50	BGAA	biogenic
Cc1ccc(C(=O)NC2CCCCC2)c(C)c1	514566	ILYVYVHXXFFYRS-UHFFFAOYSA-N	231.339	3.366	0	50	BGAA	
CCCc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1	1002808	VLVMVGHDVLOQMO-HUBLWGQQSA-N	245.366	3.472	0	50	BGAA	
CC(C)CC[n+]1cccc2ccccc21	2528005	JPOILWIMUUPRBX-UHFFFAOYSA-N	200.305	3.173	0	50	BGAA	
COc1ccc(Br)c(Cl)c1	2545219	SUFFQYRWSRMBQC-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	in-vitro
FC(F)(F)c1cc(-c2cccs2)n[nH]1	4693374	RAQSZNBGFKBCNQ-UHFFFAOYSA-N	218.203	3.157	0	50	BGAA	in-vitro
CC[C@H](O)c1cccc(C(F)(F)F)c1	5923239	SZSJCUKIEPGUMF-VIFPVBQESA-N	204.191	3.149	0	50	BGAA	in-vitro
Cc1cnc(CN2CCC=Cc3ccccc32)o1	191294952	XBKNWEYYEHKOPL-UHFFFAOYSA-N	240.306	3.407	0	50	BGAA	
CCCOc1c(Cl)cc(O)cc1Cl	261494458	YDJHUCNKRMBIAZ-UHFFFAOYSA-N	221.083	3.488	0	50	BGAA	
Cc1cnc2n1CC[C@@H]2NC[C@@H]1CCC[C@H](C)C1	2325777879	LNNQXDDBMBTYEQ-YUTCNCBUSA-N	247.386	3.052	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(NC(C)=O)cc1	30898	SKQJEXNNWUHXRF-JTQLQIEISA-N	248.326	3.020	0	50	BGAA	
CCOC(=O)Nc1ccc(OC(C)C)cc1	144419	UOENGZWZWXVDIC-UHFFFAOYSA-N	223.272	3.042	0	50	BGAA	
Cc1cc(Br)c2[nH]ccc2c1	395994	DCPYEEKBRKJUCY-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	
Cc1ccc2[nH]c3c(c2c1)CCCC[C@H]3O	445450	ZSUMOIQSYGLLID-CYBMUJFWSA-N	215.296	3.236	0	50	BGAA	
Cc1ccc(/C=C/C(=O)N2CCC[C@H](C)C2)cc1	474576	DKXGKVSEVIIYQL-HBWSCVEGSA-N	243.350	3.267	0	50	BGAA	
O=C(O)c1csc(-c2cccc(Cl)c2)n1	2548372	DNSCDQVZFMLMAD-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	
CC(=O)N1c2ccccc2[C@]2(C)CCCC[C@H]12	4566045	XVIQHELYIGQADU-GJZGRUSLSA-N	229.323	3.253	0	50	BGAA	
COc1cc(C(=O)O)c2c(c1)C(C)=CC(C)(C)N2	12384923	JCBZTSFQJBORQK-UHFFFAOYSA-N	247.294	3.001	0	50	BGAA	
CN(C)C(=O)c1ccccc1Nc1ccccc1	32814984	VWOZJXJSFSCMMT-UHFFFAOYSA-N	240.306	3.132	0	50	BGAA	
CCc1ccc(Nc2cc(Cl)nc(N)n2)cc1	47155998	VKOPIEILPKNJTE-UHFFFAOYSA-N	248.717	3.018	0	50	BGAA	
CC1=CC[C@@]23CCC[C@]12C(=O)CC3(C)C	101037703	POQNOHLJOADRPG-ZIAGYGMSSA-N	204.313	3.492	0	50	BGAA	
CCC1(C)CCN(C(=O)[C@@]23CCC[C@H]2C3)CC1	335189957	AXWGNUOOTQUOMH-SWLSCSKDSA-N	235.371	3.215	0	50	BGAA	
Fc1cccc2c3c([nH]c12)CCC(F)(F)C3	675077058	WXMRKTGZMHLPJM-UHFFFAOYSA-N	225.213	3.431	0	50	BGAA	
CC[C@H](C)S[C@@H]1CC(=O)CC[C@@H]1C	725361633	MUIYDUASWVMMID-ATZCPNFKSA-N	200.347	3.276	0	50	BGAA	
Cc1ccc(NC(=O)c2ccco2)cc1C	59115	VEGUVCOEABXDND-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
Cc1ccc(C(=O)NCCc2cccs2)cc1	1431425	IYRCUWHTWBZDJU-UHFFFAOYSA-N	245.347	3.029	0	50	BGAA	
CC(=O)[C@@](C)(Cl)Cc1ccc(Cl)cc1	2162087	SMFZLGCHLKDMEG-NSHDSACASA-N	231.122	3.469	0	50	BGAA	
O=C(O)c1cccc(-c2ccc(F)cc2F)c1	2528961	SFHXVEVGKASIEZ-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
Fc1cccc(COc2ccccc2)c1	4290286	CZGNXONBQOCVJM-UHFFFAOYSA-N	202.228	3.405	0	50	BGAA	
CC1CCN(C(=O)c2ccc(Cl)s2)CC1	12985544	ZNIVWCWENSURDM-UHFFFAOYSA-N	243.759	3.274	0	50	BGAA	
Fc1cc(C(F)(F)F)cnc1Br	34595811	DNVIECHQUYQOOH-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	in-vitro
COC(=O)[C@H]1CCCCCCCCCC[C@H]1O	43214743	PSFZBCFUPIGJHJ-QWHCGFSZSA-N	242.359	3.051	0	50	BGAA	
CC[C@H]1CCCCCN1C(=O)c1cccc(N)c1	135282863	SKFKCUVQIJDYFU-AWEZNQCLSA-N	246.354	3.064	0	50	BGAA	
C[C@@H](N)c1cccc(SC(F)(F)F)c1	143356805	DTWKAEAIXLKPOH-ZCFIWIBFSA-N	221.247	3.318	0	50	BGAA	
C[C@H]1C[C@H]1c1nc(-c2ccc3cc[nH]c3c2)no1	225592294	BKNHEFQPWPQULX-GZMMTYOYSA-N	239.278	3.341	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N(C)[C@H](C)c1ccc(F)cc1	252457609	WPBWLSKYMPKCLD-BREBYQMCSA-N	235.302	3.001	0	50	BGAA	
O=C(O)/C=C/c1cc(Cl)cc(F)c1Cl	263622934	CGDNOBDRCUJRJA-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
CC(C)n1ncnc1-c1ccc2[nH]ccc2c1	426477292	WNRHHGLDWUUXPR-UHFFFAOYSA-N	226.283	3.007	0	50	BGAA	
c1csc(-c2nccn2C[C@H]2CCCOC2)c1	690546685	NQTCLPXKKWRTAP-LLVKDONJSA-N	248.351	3.038	0	50	BGAA	
CCS[C@@H]1CC(=O)CC[C@H]1C(C)C	725359491	DCGOBLWHYKDIJS-WDEREUQCSA-N	200.347	3.133	0	50	BGAA	
Cc1cc(-c2cnn(CC3CC3)c2)ccc1F	1240513708	AISTTYFVMMQVPB-UHFFFAOYSA-N	230.286	3.408	0	50	BGAA	
C=CC(=O)Nc1ccc([C@H](F)C(F)(F)F)cc1	1335867139	RQQQDWQMRUTXKT-JTQLQIEISA-N	247.191	3.384	0	50	BGAA	
CCOc1ccccc1NC(=O)[C@@H](C)CC	30874	VTCFVEOAWWFARC-JTQLQIEISA-N	221.300	3.070	0	50	BGAA	
CC1=C(c2ccccn2)Oc2ccccc2O1	41248	USJDCGDEXWRWLV-UHFFFAOYSA-N	225.247	3.242	0	50	BGAA	
O=Cc1ccc(Cl)cc1C(F)(F)F	2598064	AHFINSWGYAZBOZ-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
CC[C@H](C)c1ccc2nc(N)sc2c1	3676517	VOEOFBUCJFSRDG-ZETCQYMHSA-N	206.314	3.392	0	50	BGAA	in-vitro
c1ccc2cc(OCCN3CCCC3)ccc2c1	4989795	OZXAIWQZLIBDPH-UHFFFAOYSA-N	241.334	3.314	0	50	BGAA	
Cc1ccc(C)c([C@@H](C)NC(=O)C2CCC2)c1	6726779	DHXZZGVIEYYMEH-GFCCVEGCSA-N	231.339	3.281	0	50	BGAA	
CC(C)Cc1ccc(-c2cc(CO)no2)cc1	25757163	NJFWCDXRLPZZPQ-UHFFFAOYSA-N	231.295	3.032	0	50	BGAA	
Fc1ccc2cncc(Br)c2c1	220484639	IXLPAFQCBBGXBG-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
O=Cc1ccc(-c2ccnc(C(F)F)c2)cc1	725273509	HXNRNIMEUSSELL-UHFFFAOYSA-N	233.217	3.499	0	50	BGAA	
CC1(C)CC[C@@H]1c1ccc(C(=O)O)cc1	1857783317	BAEPPQCWFJINID-LLVKDONJSA-N	204.269	3.288	0	50	BGAA	
COc1ccccc1Oc1ccccc1	393925	ROXWCQWMXHSVNZ-UHFFFAOYSA-N	200.237	3.488	0	50	BGAA	in-vitro
c1csc(Cc2nc(-c3cccs3)no2)c1	1423606	HGMIBEJGDWVTII-UHFFFAOYSA-N	248.332	3.450	0	50	BGAA	
CCc1ccc(C)[n+](CCc2ccccc2)c1	3124368	LCKSKQOXGWLLDJ-UHFFFAOYSA-N	226.343	3.088	0	50	BGAA	
CCCN(CCC)[C@@H]1CCc2cccc(O)c2C1	3870312	ASXGJMSKWNBENU-CQSZACIVSA-N	247.382	3.372	0	50	BGAA	biogenic,in-vitro
CCCNCc1ccc(-c2ccccc2)o1	4942842	HBABPBFPTHUPAE-UHFFFAOYSA-N	215.296	3.446	0	50	BGAA	
CCOc1ccc(/C=C/C(=O)O)c2ccccc12	5061730	BILXRVDTNPIPNI-CSKARUKUSA-N	242.274	3.336	0	50	BGAA	
Cc1cc(C)cc(Nc2ncccc2C(=O)O)c1	5448079	IANCFWQKRODISX-UHFFFAOYSA-N	242.278	3.140	0	50	BGAA	
COc1ccc2c(c1)CN(Cc1ccccc1)C2	34491952	IXVDZZDUTXTHTM-UHFFFAOYSA-N	239.318	3.211	0	50	BGAA	
NCc1cc(Cl)c(Cl)c(OC(F)F)c1	263624641	SFLHATNCGQVOLU-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
CC(C)(C)OC(=O)[C@H]1CCCc2ccccc2N1	725263290	GGRFTPARZKFKJF-CYBMUJFWSA-N	247.338	3.145	0	50	BGAA	
Cc1ccc(OC(=O)C(C)(C)C)cc1C	149142	OIEUONABFJIQJG-UHFFFAOYSA-N	206.285	3.255	0	50	BGAA	
c1coc(CNC2CCCCCCC2)c1	221717	LVIUTUZVSHHXQO-UHFFFAOYSA-N	207.317	3.482	0	50	BGAA	
O=C(O)/C(=C/c1ccccc1)c1cccs1	336234	PRFYTLRQUHFIRX-PKNBQFBNSA-N	230.288	3.373	0	50	BGAA	
O=C(O)c1c(C(F)(F)F)ccc(Cl)c1F	2574957	PCNHWBAPTNAREE-UHFFFAOYSA-N	242.555	3.196	0	50	BGAA	in-vitro
O[C@@H]1CCCCCc2ccc(cc2)CC1	3137356	UYVCWRSPZRZAGD-CQSZACIVSA-N	204.313	3.097	0	50	BGAA	
Cc1ccc([S@](=O)Nc2ccccc2)cc1	5416857	BGMJJLOVKKCDRC-MRXNPFEDSA-N	231.320	3.130	0	50	BGAA	
c1csc(CNCC2CCCCC2)c1	10474555	NYWWRNVNRNTESF-UHFFFAOYSA-N	209.358	3.418	0	50	BGAA	
CNCc1ccccc1Oc1ccc(F)cc1	12359686	BSDBBIKNDVSUNF-UHFFFAOYSA-N	231.270	3.337	0	50	BGAA	in-vitro
Cc1ccc2nc(NCCCCO)cc(C)c2c1	55244204	GXNYUMWJUKYGRU-UHFFFAOYSA-N	244.338	3.036	0	50	BGAA	
Fc1cc(F)c(Br)c(Cl)c1	63772429	QOFBXVZPBPTCJH-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
O=C(O)c1ccc(-c2cccc(F)c2F)cc1	65339745	UJTASLZZBMTSIL-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
NCCc1ccc(/C=C\c2ccccc2)cc1	71603268	BKOIAMMXTBGSGT-SREVYHEPSA-N	223.319	3.358	0	50	BGAA	
CCCCc1nc(-c2ccccc2)no1	71773132	PCKDEJRKYKRTQR-UHFFFAOYSA-N	202.257	3.079	0	50	BGAA	
CCCC1(CNC(=O)[C@H](C)n2cccc2)CCC1	154235372	DWTVLUSVLXIZAY-ZDUSSCGKSA-N	248.370	3.136	0	50	BGAA	
CC(C)(C)[C@H](CCc1ccccc1)C(=O)O	162155540	MIBRENCLUDWZDQ-GFCCVEGCSA-N	220.312	3.366	0	50	BGAA	
CC(C)=CCC[C@@H](C)NC[C@H]1CCCC[C@H]1O	200530179	CFGUSOPSPICELP-RBSFLKMASA-N	239.403	3.262	0	50	BGAA	
CC[C@@H](C)c1ccc(O)c(C(=O)C2CC2)c1	232354874	MPDZXIAMQSNTLX-SECBINFHSA-N	218.296	3.498	0	50	BGAA	
Cc1ccc(Br)c(C(F)(F)F)n1	238531024	ZJHXVNHHGSDHQE-UHFFFAOYSA-N	240.022	3.171	0	50	BGAA	
COCc1csc(COCc2ccccc2)n1	306829192	JJDIXVCWFAAYFR-UHFFFAOYSA-N	249.335	3.006	0	50	BGAA	
CO[C@H](C)c1cccc(-c2ccc(O)nc2)c1	426575102	XLBIGSVBNARKKY-SNVBAGLBSA-N	229.279	3.162	0	50	BGAA	
Cc1ncc(C(C)C)c(-c2ccccc2CO)n1	426730414	MZAWGPYULSFADV-UHFFFAOYSA-N	242.322	3.068	0	50	BGAA	
CC[C@@H](C)c1ccc(-c2cc(CNC)[nH]n2)cc1	725264701	KOIYCBFDNATIOE-LLVKDONJSA-N	243.354	3.310	0	50	BGAA	
C[C@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	20228	SNPPWIUOZRMYNY-VIFPVBQESA-N	239.746	3.299	0	50	BGAA	biogenic,fda
CCOc1ccccc1NC(=O)c1cccs1	29352	ACSBZKRELYIECK-UHFFFAOYSA-N	247.319	3.399	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)c1cccs1	271464	KARCUESJCUWGPP-JTQLQIEISA-N	223.341	3.153	0	50	BGAA	
Cc1cccc(C(=O)Nc2cc(C)ccc2O)c1	383687	PZNZGEJLOWZSGJ-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
COC(=O)CCCCCCCCCCC(=O)O	1651887	REGGDLIBDASKGE-UHFFFAOYSA-N	244.331	3.145	0	50	BGAA	biogenic,in-vitro
Cc1ccc([C@@]2(CCN)CCOC(C)(C)C2)cc1	4802695	ZDHUKANJSFIXSX-INIZCTEOSA-N	247.382	3.171	0	50	BGAA	
O=Cc1cccc(OCCc2ccccc2)c1	8726922	VWVROMYRIBEFSU-UHFFFAOYSA-N	226.275	3.121	0	50	BGAA	in-vitro
Cc1cc(C(=O)OC(C)(C)C)ccc1F	34612382	IMOHPVDDNISLPY-UHFFFAOYSA-N	210.248	3.089	0	50	BGAA	
COc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1	38068175	PSSAAJSOCSSGOZ-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CCCCNC(=O)c1ccc(Cl)cc1F	50824819	LOERILJWUINQBU-UHFFFAOYSA-N	229.682	3.009	0	50	BGAA	
C1=CC[C@H](CN[C@H](C2CCC2)[C@H]2CCOC2)CC1	585138012	IDFFCIKNSCTNBB-CWRNSKLLSA-N	249.398	3.138	0	50	BGAA	
c1cn(Cc2ccsc2)c(-c2cnsc2)n1	1875243931	DTSMWJZDFQCIOM-UHFFFAOYSA-N	247.348	3.116	0	50	BGAA	
Cc1ccccc1C(=O)N[C@@H](C)c1ccccc1	46452	FGJJSSFDJWWUNG-ZDUSSCGKSA-N	239.318	3.486	0	50	BGAA	
O=C(NC1CCCCCC1)c1ccccc1	101717	DVVYGOJXFBMZEN-UHFFFAOYSA-N	217.312	3.139	0	50	BGAA	
CC(C)CCn1c([C@H](C)O)nc2ccccc21	210266	PBOHESJEVQYCEV-NSHDSACASA-N	232.327	3.136	0	50	BGAA	
Cc1nn(-c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C	439813	RAKGIIJILSWJIO-IUODEOHRSA-N	238.334	3.476	0	50	BGAA	biogenic
Sc1ccc(Br)cc1Cl	36532991	VZQDBNWKBKWCFJ-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	
Cc1ccc(F)c(-c2cccc(N)c2)c1	38068971	WRZBXUCMEBZROT-UHFFFAOYSA-N	201.244	3.383	0	50	BGAA	
CNc1ccc(-c2cccc(C(=O)O)c2)cc1	65336931	IGDSLJHRGXISFF-UHFFFAOYSA-N	227.263	3.094	0	50	BGAA	in-vitro
COc1c(C)cc(-c2ccncc2)cc1C	65417693	NNYYNIREZRKLBC-UHFFFAOYSA-N	213.280	3.374	0	50	BGAA	
S=c1[nH]c2cc3c4c(cccc4c2[nH]1)CC3	71773222	PWPRTMUWMZHSCE-UHFFFAOYSA-N	226.304	3.477	0	50	BGAA	
COc1cccc(Cl)c1Br	117696836	OGIJEKWZHDJMSD-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	
C[C@H]1CCO[C@@H]1c1nc(C2CCCCC2)no1	128726186	NZWQQYNNIBPJOT-ONGXEEELSA-N	236.315	3.215	0	50	BGAA	
COc1ccc(-c2csc(C=O)c2)c(OC)c1	725346631	SLYXXIKHETUDFG-UHFFFAOYSA-N	248.303	3.245	0	50	BGAA	
Cc1ccc(NC(=O)Oc2ccccn2)c(C)c1	398059	WZWPKZFUMQNNDW-UHFFFAOYSA-N	242.278	3.309	0	50	BGAA	
O=C(NCCC1=CCCCC1)C1CCCC1	473603	JFDXDZXPIHXDPH-UHFFFAOYSA-N	221.344	3.183	0	50	BGAA	
CCCOP(=O)(OCCC)OCCC	2036755	RXPQRKFMDQNODS-UHFFFAOYSA-N	224.237	3.374	0	50	BGAA	biogenic
O=C(O)c1cc(Cl)c(Cl)c(Cl)c1	2041383	ICUICNRYLHKQGS-UHFFFAOYSA-N	225.458	3.345	0	50	BGAA	in-vitro
CCCOC(=O)Nc1c(C)cccc1C	2172148	BLUMZHQKLVYPPP-UHFFFAOYSA-N	207.273	3.262	0	50	BGAA	
Cc1nc2ccc(-c3ccccc3)cn2c1C=O	2528903	RVINHAAQVOEACY-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	
Cc1ccc(OCCN2CCCCC2)cc1C	16667069	UJGKQLJNICXCPY-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
COc1ccc2ccc(Br)cc2n1	34251158	ARPAPTVOXJPIHY-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
Cc1cnc2c(Br)cccc2c1	140801921	RWCWWHKSMOHVEC-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
CC[C@@H](C)CN(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	225420133	QABPKNDRUSPAMC-RFGFWPKPSA-N	237.387	3.317	0	50	BGAA	
O=C(O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@H]21	253360457	IOZRVTUKBUOZNP-XDMYOVIVSA-N	220.312	3.400	0	50	BGAA	
CC[C@H](Nc1ncnc2ccc(F)cc12)C1CC1	664438392	REIJCAQGICKUDR-LBPRGKRZSA-N	245.301	3.369	0	50	BGAA	
O=C(O)c1ccc(-c2ccnc(C(F)F)c2)cc1	725273640	RMRJUKPTOUFNID-UHFFFAOYSA-N	249.216	3.384	0	50	BGAA	
CCN(Cc1ccccc1)C(=O)c1cccs1	29354	SNXLDNIGLODSBL-UHFFFAOYSA-N	245.347	3.410	0	50	BGAA	
CCC(CC)(CC)NC(=O)c1ccccc1	389195	MYHYVLFEQJZTAE-UHFFFAOYSA-N	219.328	3.385	0	50	BGAA	
Cc1ccc(C)c(NC(=O)NCc2ccco2)c1	396752	WNVLTAXRSACWNB-UHFFFAOYSA-N	244.294	3.218	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)c1cccc(OC)c1	474199	OSBKWCGIVPCDJP-CYBMUJFWSA-N	247.338	3.100	0	50	BGAA	
CCCCCC[C@@H]1C(=O)CC[C@@H]1CC(=O)OC	1902251	GLASPHLTTAHWPI-NEPJUHHUSA-N	240.343	3.115	0	50	BGAA	biogenic
CCCCN(CCCC)C(=O)c1cccnc1	2765515	JLMPLJUDFDESPF-UHFFFAOYSA-N	234.343	3.124	0	50	BGAA	
CC(C)c1cccc(OCCN2CCCC2)c1	5024329	PCVKRJVYGVSTKV-UHFFFAOYSA-N	233.355	3.285	0	50	BGAA	
COc1ccc(Oc2ccc(C=O)cc2)cc1	11888073	XXZKVKMXUPYUTR-UHFFFAOYSA-N	228.247	3.300	0	50	BGAA	in-vitro
COc1cccc(-c2ccc(C(=O)O)cc2F)c1	49840846	ZUHWTXVQCXMXKG-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Cc1c(F)cc(Cl)c(N)c1Br	79387442	YNPNWNOWAIGKNE-UHFFFAOYSA-N	238.487	3.132	0	50	BGAA	
CC(C)(C)[C@@H]1CCCN(Cc2ncc[nH]2)CC1	116308983	CVKGXEUHVXZXHR-GFCCVEGCSA-N	235.375	3.058	0	50	BGAA	
N=C(N)SCc1cccc(-c2ccccc2)c1	263615018	AECPRLXJDXVNKH-UHFFFAOYSA-N	242.347	3.480	0	50	BGAA	in-vitro
Cc1c(Cl)ccc2c(CC(=O)O)coc12	585094457	HSBQQGMWZHVUII-UHFFFAOYSA-N	224.643	3.022	0	50	BGAA	
C=CC(=O)N[C@@H](C)c1oc2ccccc2c1C	1120552827	LOAITMMJBISWQD-JTQLQIEISA-N	229.279	3.104	0	50	BGAA	
C[C@@H]1CCc2nc(-c3cccnc3F)sc2C1	1875283377	PVGBSLMXIRDMKN-MRVPVSSYSA-N	248.326	3.469	0	50	BGAA	
Cc1cc(O)c(Cl)cc1-c1nncc(C)c1C	2100555495	UCNRQSAMXRQRJB-UHFFFAOYSA-N	248.713	3.428	0	50	BGAA	
C[C@H]1C[C@H](C)CN(C(=O)Nc2ccccc2)C1	442603	NFQPHYQZPVGTLH-RYUDHWBXSA-N	232.327	3.196	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccccc1OCC	456094	FNHZRKZKFMUYGW-NSHDSACASA-N	235.327	3.460	0	50	BGAA	
CC(C)c1ccc(C[C@@H](C)C(=O)O)cc1	545769	FLMVHZOJMRGXRO-SNVBAGLBSA-N	206.285	3.073	0	50	BGAA	
C[C@@](O)(Cc1ccccc1)c1ccccc1	1081111	QRKNKDBJZVZQNE-OAHLLOKOSA-N	212.292	3.137	0	50	BGAA	
Cc1ccc(NC(=N)NCc2ccccc2)cc1	2518946	SMRIWVOQZHSARY-UHFFFAOYSA-N	239.322	3.131	0	50	BGAA	
CCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1	3159846	PXGCWKFAOBRYAR-LSDHHAIUSA-N	245.366	3.487	0	50	BGAA	
O[C@@H]1CC2c3ccccc3C1c1ccccc12	4530536	KWIGNNRWIAOEGF-HWOWSKLDSA-N	222.287	3.028	0	50	BGAA	
C[C@H]1Cc2ccccc2N1C(=O)NC1CCCC1	13328397	JUVLBOCRGLORPB-NSHDSACASA-N	244.338	3.090	0	50	BGAA	
N=C(Nc1ccccc1)Nc1ccccc1	18208503	OWRCNXZUPFZXOS-UHFFFAOYSA-N	211.268	3.145	0	50	BGAA	in-vivo
CCCOc1ccc(CN2CCCC2)cc1OC	19535248	AKTKWKNYQGFWGJ-UHFFFAOYSA-N	249.354	3.080	0	50	BGAA	
CC(C)(C)OC(=O)NCc1ccc(Cl)s1	82609547	MLBMZQYASPNGDI-UHFFFAOYSA-N	247.747	3.426	0	50	BGAA	
C[C@]1(c2ccccc2)CCC(=O)N(C2CCC2)C1	91365009	NLJHFSQVJSJFEX-INIZCTEOSA-N	243.350	3.119	0	50	BGAA	
CC(C)[C@H](C)CC(=O)N1CCC[C@@H]2CCC[C@H]21	246767269	LUIRWYAZNQPLNQ-HZSPNIEDSA-N	237.387	3.460	0	50	BGAA	
CCCC[C@H](C)C(=O)N[C@H]1CCCc2[nH]ccc21	253395702	PHVPNCNROWFNQR-FZMZJTMJSA-N	248.370	3.335	0	50	BGAA	
CC[C@H](OC)C(=O)Nc1ccc2oc(C)cc2c1	952984256	JVMFRKBOCBCTLE-LBPRGKRZSA-N	247.294	3.105	0	50	BGAA	
Cc1cc(NC(=O)C[C@@H](C)c2ccccc2)no1	318180	GMMWPQAGNMFISA-SNVBAGLBSA-N	244.294	3.115	0	50	BGAA	
CC[C@H](C)Cn1c([C@H](C)O)nc2ccccc21	352660	IEHLYXZIMXYSLV-QWRGUYRKSA-N	232.327	3.136	0	50	BGAA	
O=C(Nc1cccnc1Cl)C1CCCCC1	832462	PLDJHBGXOXACST-UHFFFAOYSA-N	238.718	3.254	0	50	BGAA	
CCCc1ccc(C(=O)Nc2cccnc2)cc1	1515561	FLPFOYSMOSEVLG-UHFFFAOYSA-N	240.306	3.286	0	50	BGAA	
Nc1cc(Cl)c(Br)cc1Cl	1609904	SPXFVZDKSRPFPW-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	in-vitro
Clc1ccc(CN2CCCCC2)cc1	3058557	DCEXCMVFRCTUOL-UHFFFAOYSA-N	209.720	3.326	0	50	BGAA	
Cc1ccc([C@@H](O)c2cccc(F)c2)cc1	4255956	WFDCQCJLSYBMAE-CQSZACIVSA-N	216.255	3.216	0	50	BGAA	
O=C(C(F)(Cl)Cl)C(Cl)(Cl)Cl	5178390	VODZXUJSDKOZEW-UHFFFAOYSA-N	248.295	3.027	0	50	BGAA	
Oc1ccc(NC(=S)Nc2ccccc2)cc1	17967499	PWLPSXPCUHUSAT-UHFFFAOYSA-N	244.319	3.201	0	50	BGAA	
O=C(O)[C@@H]1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12	253360455	IOZRVTUKBUOZNP-BVWPOFQMSA-N	220.312	3.400	0	50	BGAA	
Clc1cnc(CN[C@@]23CCCC[C@@H]2C3)s1	631225710	KIYHUMONTMPEOT-LDYMZIIASA-N	242.775	3.219	0	50	BGAA	
O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@@H]2CCCC[C@H]21	685939544	JRZWIXQWIWPDQC-VQJWOFKYSA-N	247.382	3.214	0	50	BGAA	
O=C1C[C@H](c2ccccc2)Oc2cc(O)ccc21	57919	SWAJPHCXKPCPQZ-CQSZACIVSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vivo
O=c1cc(C(F)(F)C(F)F)oc2ccccc12	112330	TWQQRWHFBLKMAD-UHFFFAOYSA-N	246.159	3.150	0	50	BGAA	
O=C(Nc1ccc2[nH]ccc2c1)c1ccccc1	155234	JCAFGYWSIWYMOX-UHFFFAOYSA-N	236.274	3.420	0	50	BGAA	in-vitro
CCCCOC(=O)c1ccc(-n2cccc2)cc1	2053898	TXYSCEDCDACLTP-UHFFFAOYSA-N	243.306	3.434	0	50	BGAA	
CC(C)[C@@H](O)[C@@H](c1ccccc1)C(C)C	3132687	AWBSAVHYHWDMPJ-ZIAGYGMSSA-N	206.329	3.443	0	50	BGAA	
Cc1cc(C)c(C(=O)Nc2ccccn2)c(C)c1	13323113	VYOUNUFZPXTJRB-UHFFFAOYSA-N	240.306	3.259	0	50	BGAA	
CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)C1	16697195	REGWJCQNMMXFBM-ZDUSSCGKSA-N	247.338	3.411	0	50	BGAA	in-vitro
O=C(Nc1ccccc1)O[C@H]1C=C[C@@H]2CC[C@@H]21	71785315	JGCSJDCNFISWCT-DRZSPHRISA-N	229.279	3.200	0	50	BGAA	
Fc1cccc(CNc2ccc(Cl)nc2)c1	122814502	IICDDBNRHCKFEP-UHFFFAOYSA-N	236.677	3.486	0	50	BGAA	
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@H]2C1	136147149	FMJILALKTYWOFJ-QWRGUYRKSA-N	225.332	3.044	0	50	BGAA	
COc1cc(F)cc(-c2ccc(C(=O)O)cc2)c1	204091339	VMXWYRDXMSYRBG-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	
CC(C)CCc1nc([C@@H]2CCOC2)cs1	273814716	BXKRTPMQJQNRTR-SNVBAGLBSA-N	225.357	3.236	0	50	BGAA	
CCOc1ccc(-c2cn3ccccc3n2)cc1	122026	BWAXYFPYNGSSKF-UHFFFAOYSA-N	238.290	3.400	0	50	BGAA	
c1ccc(-c2nc3ccccc3s2)nc1	226959	XSWCYXIBEZMXMM-UHFFFAOYSA-N	212.277	3.358	0	50	BGAA	
CCN(CC)CCSc1ccc(C)cc1	393124	BVLWBBFZDFCUGR-UHFFFAOYSA-N	223.385	3.429	0	50	BGAA	
Cc1cccc(NC(=O)Oc2ccccn2)c1	398200	XLELMWYTHXPVJG-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
C[C@@H](NC(=O)Nc1ccccc1)C(C)(C)C	409084	PTQNBNCQROZXEL-SNVBAGLBSA-N	220.316	3.243	0	50	BGAA	
CCN[C@H]1CCCc2c1[nH]c1ccc(C)cc21	2485545	RJUTVACDIZQGRJ-AWEZNQCLSA-N	228.339	3.463	0	50	BGAA	biogenic
O=C(O)c1ccc(-c2ccc(F)c(F)c2)cc1	2513039	VDZUPTTUUMOUPT-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
Fc1cc(C(F)(F)F)cc(F)c1F	2526256	WIMUDCCCIFLMQO-UHFFFAOYSA-N	200.081	3.123	0	50	BGAA	in-vitro
CC(=O)Nc1ccc(OC/C=C(\C)Cl)cc1	5019971	OTJODFUJEDRSII-VQHVLOKHSA-N	239.702	3.166	0	50	BGAA	
Cc1cccc(NC(=O)c2c(C)coc2C)c1	9764038	USUSZWBIFYDOSX-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
O=Cc1cc(Cl)cc(OC(F)(F)F)c1	12359289	LWQSWEYYGGFLDR-UHFFFAOYSA-N	224.565	3.051	0	50	BGAA	
Cc1ccc(-n2cccc2C(=O)O)cc1Cl	12404855	FSUNTYKNFADKJY-UHFFFAOYSA-N	235.670	3.137	0	50	BGAA	
CCC/C(=C\c1ccc(C)cc1)C(=O)O	43761127	VMUHSRLUGPHAQS-FMIVXFBMSA-N	204.269	3.263	0	50	BGAA	
CCC(=O)N[C@H]1CC(C)(C)Oc2cc(C)ccc21	72115599	ZLXZAQKBKPONRA-LBPRGKRZSA-N	247.338	3.123	0	50	BGAA	
COCCC[C@@H]1CCCN(c2ccnc(C)c2)C1	96163363	APPCLWFXQMOXSE-AWEZNQCLSA-N	248.370	3.033	0	50	BGAA	
C(=C/c1nc2ccccc2s1)\c1cocn1	170605435	LUCWMMJOMMJGFA-AATRIKPKSA-N	228.276	3.455	0	50	BGAA	
Fc1cc2[nH]ccc2c(F)c1Br	204793078	WLQCUDABSXTYOM-UHFFFAOYSA-N	232.027	3.209	0	50	BGAA	in-vitro
CC(C)(CO)c1nc(-c2ccccc2)cs1	259269345	LNOQCMFJVUNJDJ-UHFFFAOYSA-N	233.336	3.080	0	50	BGAA	
Oc1cc(Cl)c(OC(F)F)c(Cl)c1	263625150	XEIKNBWFDIIBGZ-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
c1ccc2c(c1)CC(CN1CC3(CCCC3)C1)C2	328595631	ZNZOTMRFQDTQRY-UHFFFAOYSA-N	241.378	3.277	0	50	BGAA	
Cc1cn2cc(Br)cc(Cl)c2n1	1772718162	VYMSGTAZBSRLTK-UHFFFAOYSA-N	245.507	3.059	0	50	BGAA	
COc1ccc(C=Cc2ccccn2)cc1	1857666417	YVXLWJRTXKPYON-UHFFFAOYSA-N	211.264	3.261	0	50	BGAA	
Nc1cc([C@@H]2CC2(F)F)cc(C(F)(F)F)c1	1857778264	SPWAMUOHPNQONS-QMMMGPOBSA-N	237.171	3.410	0	50	BGAA	
O=C(O)C1(c2ccc(F)cc2Cl)CCCC1	155791	RKEURCWSQHENQO-UHFFFAOYSA-N	242.677	3.376	0	50	BGAA	in-vitro
FC(F)(F)c1ccc(C2CCNCC2)cc1	2577358	AKGAUMQWPLQYHW-UHFFFAOYSA-N	229.245	3.172	0	50	BGAA	
NC(=O)NC[C@H](c1ccccc1)C1CCCCC1	6745812	AXBONUKITUAQNP-CQSZACIVSA-N	246.354	3.019	0	50	BGAA	
CC(=O)N1CCC[C@H](CCc2ccccc2C)C1	12750494	NHJOEXXVEIRVCV-OAHLLOKOSA-N	245.366	3.186	0	50	BGAA	
C[C@@]1(c2ccc(Br)cc2Cl)CO1	135060583	XYISVUIHVXHIIC-VIFPVBQESA-N	247.519	3.348	0	50	BGAA	
O=C(c1ccc(-c2ccncc2)cc1F)C1CC1	426641424	SRQLGPISIOUCJM-UHFFFAOYSA-N	241.265	3.480	0	50	BGAA	
Clc1cnc(CN[C@]23CCCC[C@@H]2C3)s1	631225706	KIYHUMONTMPEOT-KCJUWKMLSA-N	242.775	3.219	0	50	BGAA	
C[C@@H]1CC[C@@H]2[C@H](N1)c1ccccc1OC2(C)C	822395293	JKYWBXHMWFQXCG-MPKXVKKWSA-N	231.339	3.287	0	50	BGAA	
Cc1nc2cc(-c3c[nH]ccc3=N)ccc2s1	1243937011	IFOJYPCRNADLLL-UHFFFAOYSA-N	241.319	3.079	0	50	BGAA	
CC1(CCCC(=O)N[C@H]2CC[C@H](C)CC2)N=N1	1775991564	GWZIFKSKVSTRGX-XYPYZODXSA-N	237.347	3.034	0	50	BGAA	
Cc1ccccc1CNc1ccc2cn[nH]c2c1	280401	CFNJKMSCALEUTJ-UHFFFAOYSA-N	237.306	3.483	0	50	BGAA	
COc1ccc2c(-c3ccccc3)ncnc2c1	406613	UZNMFRZIYKSXHL-UHFFFAOYSA-N	236.274	3.305	0	50	BGAA	
CC(C)CNC(=O)C1(c2ccccc2)CCCC1	612937	KIFRSVJTUWGGIN-UHFFFAOYSA-N	245.366	3.271	0	50	BGAA	
FC(F)(F)c1ncc(Cl)cc1Cl	1695076	WSALYASKYGIWGP-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
CC(C)(Oc1cc(Cl)ccc1Cl)C(=O)O	2557833	VUYQTJMONRDPAD-UHFFFAOYSA-N	249.093	3.235	0	50	BGAA	
Cc1cc(-c2csc(N)n2)c(C)s1	2574048	SKDWLGWJNNTNGX-UHFFFAOYSA-N	210.327	3.071	0	50	BGAA	in-vitro
C[C@H](NC(=O)C1CCCCC1)c1ccccc1	3158122	HCOUMPAAUUVXGW-LBPRGKRZSA-N	231.339	3.444	0	50	BGAA	
CCN(CC)c1ccc(C(F)(F)F)cc1N	3888769	UOPWWBBHXVCBHY-UHFFFAOYSA-N	232.249	3.134	0	50	BGAA	
COc1cc2c(cc1N)oc1ccccc12	4126715	SGQVWNYSHWQNOS-UHFFFAOYSA-N	213.236	3.177	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)c2cccs2)c(F)c1	9911031	QMSTUGPKKDDAJU-UHFFFAOYSA-N	235.283	3.448	0	50	BGAA	
Sc1cc(S)cc(Br)c1	44076153	AHHCKAJHIBGSHJ-UHFFFAOYSA-N	221.144	3.027	0	50	BGAA	in-vitro
Nc1ccc(Cl)c(Br)c1Cl	169020803	SRWKAIAXCATBPL-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	
CCCCNC(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21	230172313	JFJVPAHJJOAPAX-JHJVBQTASA-N	238.375	3.149	0	50	BGAA	
c1csc(-c2nccn2C[C@@H]2CCCOC2)c1	690546686	NQTCLPXKKWRTAP-NSHDSACASA-N	248.351	3.038	0	50	BGAA	
O=Cc1ccc(C(F)(F)C(F)(F)F)s1	1857781661	QZPDPAMQPIKUAE-UHFFFAOYSA-N	230.157	3.215	0	50	BGAA	
O=C(NCc1ccccc1)c1cccc(Cl)c1	29716	VLWCOVLTTGVSTL-UHFFFAOYSA-N	245.709	3.270	0	50	BGAA	
CCc1ccc(NC(=O)NC(C)(C)C)cc1	98730	ZPIWQMRGQRSAIT-UHFFFAOYSA-N	220.316	3.169	0	50	BGAA	
O=C(c1ccc(F)cc1)c1ccccc1F	155221	LKFIWRPOVFNPKR-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	
CC(=O)c1cccc(OC(=O)c2cccs2)c1	452458	IQCANTXAOLBUKP-UHFFFAOYSA-N	246.287	3.170	0	50	BGAA	
CC(C)(C)C1CCC(NC[C@H]2CCCO2)CC1	757760	QSFNMOWUAVJEOD-JXQTWKCFSA-N	239.403	3.360	0	50	BGAA	
Clc1ccccc1OCCCn1ccnc1	2494186	HBFFXNZQJDYXHV-UHFFFAOYSA-N	236.702	3.006	0	50	BGAA	
COC(=O)c1cc2c(s1)CCCCCC2	6735092	WBRWLPFHJCTUAM-UHFFFAOYSA-N	224.325	3.194	0	50	BGAA	
C[C@H]1C[C@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	13331215	VHENGDJHZSQEQQ-OIBJUYFYSA-N	243.228	3.300	0	50	BGAA	
Cc1ccc(Br)c2[nH]ccc12	22006847	SJOBFYZCJCKOAF-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
CCCc1ccc([C@H](O)C(F)(F)F)cc1	40451670	WWGJLVCWWBRCHU-JTQLQIEISA-N	218.218	3.235	0	50	BGAA	
CC(=O)c1ccccc1-c1ccncc1C	65380505	JKDSBZMOYSLAPA-UHFFFAOYSA-N	211.264	3.260	0	50	BGAA	
FCc1cc(F)cc(Br)c1	584593025	DOUOYKLCOQRKDP-UHFFFAOYSA-N	207.017	3.058	0	50	BGAA	
COc1ccc(-c2ccc(OC)cc2)cc1	56458	UIMPAOAAAYDUKQ-UHFFFAOYSA-N	214.264	3.371	0	50	BGAA	biogenic
O=C(Nc1ccc(F)c(Cl)c1)c1ccco1	101728	ZDUUIEYMDQFXNN-UHFFFAOYSA-N	239.633	3.324	0	50	BGAA	
Cc1cc(C)c2cccc(NC(=O)C3CC3)c2n1	267403	BQRGXPWLVFSEBI-UHFFFAOYSA-N	240.306	3.200	0	50	BGAA	
O=C(O)Cc1c[nH]c2c(Cl)ccc(Cl)c12	1852051	YFOZTVITJDDLHT-UHFFFAOYSA-N	244.077	3.102	0	50	BGAA	
CC(=O)Nc1ccc(-c2cccs2)cc1	2525701	APWDLDHMDGYFLF-UHFFFAOYSA-N	217.293	3.374	0	50	BGAA	
CC(C)(C)NCCCOc1ccc(Cl)cc1	2901657	FKKGOUXJCMBJQJ-UHFFFAOYSA-N	241.762	3.497	0	50	BGAA	
Cc1ccccc1NC(=O)N1CCCC[C@@H]1C	6703535	FIIGFUWTOCABFE-LBPRGKRZSA-N	232.327	3.401	0	50	BGAA	
CCNCCOc1ccccc1[C@@H](C)CC	6729149	HRPNYJGZUVYMSR-LBPRGKRZSA-N	221.344	3.188	0	50	BGAA	
Oc1ccc(C(F)(F)F)c(C(F)(F)F)c1	79019700	BWOZOFYROVHYEH-UHFFFAOYSA-N	230.107	3.430	0	50	BGAA	
c1ccc(CCCOc2cccnc2)cc1	96027762	UIZLTDOULNEIFT-UHFFFAOYSA-N	213.280	3.093	0	50	BGAA	
COc1cccc2c1[C@H]1C=C[C@H]2[C@H]2C=C[C@@H]21	101037040	ZKOWCPSHYWPWGS-BLFANLJRSA-N	210.276	3.248	0	50	BGAA	
O=C(O)C12C3c4ccccc4[C@H]1[C@@H]2c1ccccc13	104949531	UMJDXPHIAPUWGB-GWUWNPHMSA-N	248.281	3.098	0	50	BGAA	
C[C@H]1CC[C@H](c2nc(C3CCCCC3)no2)O1	129161508	AOHNXWFGXOBKFJ-GXSJLCMTSA-N	236.315	3.357	0	50	BGAA	
Cc1n[nH]cc1-c1ccnc2c(F)cc(F)cc12	426493155	JJCFEEBEAHMEAJ-UHFFFAOYSA-N	245.232	3.212	0	50	BGAA	
Cc1cnc(CN(C)CCCC2CCCC2)cn1	670469393	XUPBURWRASQJDX-UHFFFAOYSA-N	247.386	3.187	0	50	BGAA	
CCc1nnc(N(C)CC2CCCCC2)s1	1875328580	ZQAWOVHHARTCNZ-UHFFFAOYSA-N	239.388	3.117	0	50	BGAA	
CC(C)C(=O)Nc1ccc(Cl)cc1F	475568	LKAKORAGHLVHBI-UHFFFAOYSA-N	215.655	3.074	0	50	BGAA	
CC(C)CC(=O)Nc1ccc(N2CCCC2)cc1	570023	DVRLMBZOWCDXSC-UHFFFAOYSA-N	246.354	3.271	0	50	BGAA	
Fc1cc(F)c2nc(Cl)sc2c1	2455723	LZXONCQHRWRSKB-UHFFFAOYSA-N	205.616	3.228	0	50	BGAA	in-vitro
CCCCN(C)CCOc1ccc(Cl)cc1	3003856	HPOJPGGBPBXFSR-UHFFFAOYSA-N	241.762	3.451	0	50	BGAA	
COc1ccc(NC(=O)C2CCC2)cc1Cl	3559802	HVZCUXPXKMIKQE-UHFFFAOYSA-N	239.702	3.087	0	50	BGAA	
Cc1ccc(-[n+]2c(C)cc(C)cc2C)cc1	5416884	VGMXIQYAFZZWME-UHFFFAOYSA-N	212.316	3.197	0	50	BGAA	
CC[C@@H](N)c1cccc(C(F)(F)F)c1	8698409	ZZTDGFLVDISOIK-SECBINFHSA-N	203.207	3.115	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2cccc(OC)c2)c1	16945795	POJIUVINPMTBGN-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
CC1(C)CCc2cc(C3CC3)cc(C=O)c2O1	114357164	GTKKMZSOAGVSGT-UHFFFAOYSA-N	230.307	3.480	0	50	BGAA	
Nc1ccc(-c2cc3cccc(F)c3o2)nc1	128580386	TWVSIRFLMZXESC-UHFFFAOYSA-N	228.226	3.216	0	50	BGAA	
O=C(Cc1ccncc1)OC1CCCCCCC1	241588416	PCZXZOXPLBFCQH-UHFFFAOYSA-N	247.338	3.280	0	50	BGAA	
CCc1nn(C)cc1-c1ccc([C@@H](C)OC)cc1	426379745	NHHNQMYVFQTACS-LLVKDONJSA-N	244.338	3.357	0	50	BGAA	
COc1ncc(-c2ccc3c(c2)CCN3)cc1C	888095814	HFBPQZLWTJYIEQ-UHFFFAOYSA-N	240.306	3.034	0	50	BGAA	
C[C@@H](CC(=O)NC1CCCC1)c1ccccc1	73898	UBFYIRDVECNNPV-LBPRGKRZSA-N	231.339	3.239	0	50	BGAA	
c1ccc(Cc2nc3ccccc3[nH]2)cc1	113392	YTLQFZVCLXFFRK-UHFFFAOYSA-N	208.264	3.154	0	50	BGAA	biogenic,in-man
COC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	165836	YNZYUHPFNYBBFF-NSHDSACASA-N	220.312	3.162	0	50	BGAA	
OCc1c(Cl)cc(Cl)cc1Cl	403439	WKJWKKDGJLKFER-UHFFFAOYSA-N	211.475	3.139	0	50	BGAA	in-vitro
O=C(O)Cc1ccc(Sc2ccccc2)cc1	1675840	RRDQKVBSLWBCFR-UHFFFAOYSA-N	244.315	3.465	0	50	BGAA	
O=C(O)c1ccc(C2CCCCC2)cc1	1715188	QCIWHVKGVVQHIY-UHFFFAOYSA-N	204.269	3.433	0	50	BGAA	in-vitro
COc1cccc([C@H](O)c2ccc(C)cc2)c1	4267974	QPKHKSGBPXFYFS-OAHLLOKOSA-N	228.291	3.085	0	50	BGAA	
CNCc1ccc(-c2ccc(F)c(Cl)c2)o1	4942968	SZGJDBGUNFAZMH-UHFFFAOYSA-N	239.677	3.459	0	50	BGAA	
CC[C@@H](C)NC(=O)c1ccc(C(F)(F)F)cc1	5336979	KQHCDTFHFMDYLW-MRVPVSSYSA-N	245.244	3.234	0	50	BGAA	
COC(=O)c1ccc2c(Cl)cccc2c1	34347635	MUBLHVYEVXVQPQ-UHFFFAOYSA-N	220.655	3.280	0	50	BGAA	in-vitro
COCCCSC1=Nc2ccccc2C1	119280511	RYBDCVHQIMTEKG-UHFFFAOYSA-N	221.325	3.042	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C	239412572	SWJCUHSGJNXCLQ-YVECIDJPSA-N	237.387	3.364	0	50	BGAA	
Fc1ccc(-c2noc(C3CCC3)n2)cc1	264605910	JAIZRMONKCOYTF-UHFFFAOYSA-N	218.231	3.143	0	50	BGAA	
CC(C)(NCc1cnsc1)c1ccccc1	712859578	JIIPPTQCGGSNOY-UHFFFAOYSA-N	232.352	3.168	0	50	BGAA	
Nc1ccc(Cl)cc1-c1noc(C2CCC2)n1	725273632	QZRHLSWFUVUPNA-UHFFFAOYSA-N	249.701	3.240	0	50	BGAA	
c1ccc2c(CN3CCCCC3)c[nH]c2c1	50819	HPKXPFRRVVWAPD-UHFFFAOYSA-N	214.312	3.154	0	50	BGAA	
CO[C@H](C(=O)c1ccccc1)c1ccccc1	155149	BQZJOQXSCSZQPS-HNNXBMFYSA-N	226.275	3.257	0	50	BGAA	in-vitro
Cc1cc(C)n(C(=O)Nc2ccc(Cl)cc2)n1	283008	KTWBSDPFJSOINV-UHFFFAOYSA-N	249.701	3.234	0	50	BGAA	
O=C(Nc1cccnc1)Nc1cccc(Cl)c1	476782	QGLBBAUVPATXPV-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	
Cc1cccc(OCCCN2CCCCC2)c1	2496038	FYIOQHDESQBGQB-UHFFFAOYSA-N	233.355	3.250	0	50	BGAA	
Fc1ccc(Cl)c(Br)c1	2600064	FOCCSIJMXBTKHD-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	in-vitro
Cc1ccc(C)c(NC(=O)c2c(C)noc2C)c1	3533479	IAJAJRCQBIOUQX-UHFFFAOYSA-N	244.294	3.161	0	50	BGAA	
CC(C)n1c(-c2ccccc2F)n[nH]c1=S	4736539	KBYKWNSBXURKHX-UHFFFAOYSA-N	237.303	3.328	0	50	BGAA	
Cc1ccc2[nH]c(C)c(-c3csc(N)n3)c2c1	8414135	UBZJWYAZTJLXIP-UHFFFAOYSA-N	243.335	3.490	0	50	BGAA	
CCc1ccc(C(=O)Nc2nccs2)s1	13330557	FASPABWVAQVERT-UHFFFAOYSA-N	238.337	3.019	0	50	BGAA	
Oc1ccc(/C=C/c2cc(O)cc(F)c2)cc1	34544488	HQRPEIZLSDDCOA-OWOJBTEDSA-N	230.238	3.407	0	50	BGAA	
C/C=C(\C(=O)OC(C)(C)C)[Si](C)(C)C	169832194	LYNRTHGBYCAXSM-CMDGGOBGSA-N	214.381	3.152	0	50	BGAA	
O=C(Nc1nccs1)[C@@H]1[C@@H]2C=CCCCC[C@H]21	229843355	QVRUJMJSJXRQQT-GMTAPVOTSA-N	248.351	3.074	0	50	BGAA	
CCS[C@@H]1CC[C@@H](NC[C@H]2CCSC2)C1	253393449	NYQRONLGECOGMV-IJLUTSLNSA-N	245.457	3.003	0	50	BGAA	
CCCCC(=O)N1CC=C(c2ccccc2F)C1	378602687	XXJVOYQCOWVJJB-UHFFFAOYSA-N	247.313	3.242	0	50	BGAA	
C[C@H]1CCc2nc(-c3cncc(F)c3)sc2C1	1875269017	UYYZSJPILMDNAO-QMMMGPOBSA-N	248.326	3.469	0	50	BGAA	
O=C(O)Cc1c(Cl)ccc(Cl)c1Cl	156409	QZXCCPZJCKEPSA-UHFFFAOYSA-N	239.485	3.274	0	50	BGAA	in-vitro
Cc1ccc(C)c2nc(Cl)c(C=O)cc12	287815	MEVWOQZZSJDOBU-UHFFFAOYSA-N	219.671	3.318	0	50	BGAA	in-vitro
O=C(SCc1ccccc1)c1cccnc1	4823559	YOXMUUKARXTLMA-UHFFFAOYSA-N	229.304	3.155	0	50	BGAA	
COC(=O)c1cc2c(Cl)cccc2s1	8729778	CKXPDFHEOUVFRD-UHFFFAOYSA-N	226.684	3.341	0	50	BGAA	in-vitro
COc1ccc(SC)cc1Br	44125415	QYCUNHVHZMIDIS-UHFFFAOYSA-N	233.130	3.180	0	50	BGAA	
Nc1cc2cc(Br)ccc2s1	83069390	GSEAIYIHFDGRAP-UHFFFAOYSA-N	228.114	3.246	0	50	BGAA	
O=C(O)c1ccc(C2CC2)cc1C(F)(F)F	229515398	YJTWPDFPGWYNJZ-UHFFFAOYSA-N	230.185	3.281	0	50	BGAA	
FC(F)(F)c1nc(Cl)nc2ccccc12	257965291	ISTFRIWCSWMHOR-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	
Clc1ccc(Br)c2nccnc12	952959051	BGWUYJKYLKDGCF-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
Cc1ccc(NCCc2ccccn2)cc1	396791	FIBMHPSVPNLSFS-UHFFFAOYSA-N	212.296	3.045	0	50	BGAA	
COc1ccc(NCc2ccc(O)cc2)cc1	397783	UVAUEVSLJSRJCQ-UHFFFAOYSA-N	229.279	3.013	0	50	BGAA	
C[C@@H]1CC2(CCN(C)CC2)Nc2ccccc21	4342688	XRLSOHOYLFSEFM-GFCCVEGCSA-N	230.355	3.070	0	50	BGAA	
CCN(CC)Cc1cc2ccccc2o1	4947537	UEAHTPIFBZPSNZ-UHFFFAOYSA-N	203.285	3.275	0	50	BGAA	
COC(=O)C12C[C@H]3C[C@@H](C1)CC(C(C)C)(C3)C2	5747056	WOOWQAXHHNFVNF-AVJIGQEQSA-N	236.355	3.402	0	50	BGAA	
Cc1cc(C)cc(NC(=S)N2CCCC2)c1	7522543	JERFLBLBOPFTBI-UHFFFAOYSA-N	234.368	3.096	0	50	BGAA	
CCC1(CC)COc2cscc2OC1	36373136	HMKHKPKUPVRLOW-UHFFFAOYSA-N	212.314	3.326	0	50	BGAA	
Cc1cc(C(=O)c2ccccc2)c(C)cc1O	129729030	MDWWYJXDIMXLHU-UHFFFAOYSA-N	226.275	3.240	0	50	BGAA	
CC[C@@]1(CO)CCCN1Cc1cccc(C)c1C	170089029	IYVYRXHITOJRHB-INIZCTEOSA-N	247.382	3.040	0	50	BGAA	
Cc1cnc(C(F)(F)F)c(Br)c1	215610704	DUPVTQSCCKBORM-UHFFFAOYSA-N	240.022	3.171	0	50	BGAA	
CCCCOc1cccc(-c2cnn(C)c2)c1	426489573	DPEFQKBSPKFVQR-UHFFFAOYSA-N	230.311	3.266	0	50	BGAA	
CCC[C@@H](C)NC(=O)[C@@H](C)c1ccccc1	680017868	WQKGIHYNYLYJNN-NEPJUHHUSA-N	219.328	3.095	0	50	BGAA	
O=C(Cc1cccs1)Nc1ccc(F)cc1	30639	RTBRTESXHJAFTI-UHFFFAOYSA-N	235.283	3.068	0	50	BGAA	
CC(=O)Nc1ccc(OCc2ccccc2)cc1	54899	QLCLKEPRVBUJHX-UHFFFAOYSA-N	241.290	3.224	0	50	BGAA	
Nc1ccc(Br)c(C(F)(F)F)c1	56672	YGNISOAUPSJDJE-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	biogenic,in-vitro
CC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1	163662	MLSSIEQFQKQUCS-NSHDSACASA-N	220.312	3.340	0	50	BGAA	
CC[C@H](Sc1ccc2ccccc2n1)C(=O)O	324478	QZKXJMHSAGBJLS-NSHDSACASA-N	247.319	3.190	0	50	BGAA	
O=C(Nc1c(Cl)cccc1Cl)NC1CC1	397518	PBYSVDOBHAZYER-UHFFFAOYSA-N	245.109	3.277	0	50	BGAA	
CCOC(=O)c1cc2cc(C(C)C)ccc2[nH]1	4235019	XEQITYGXVHXTNP-UHFFFAOYSA-N	231.295	3.468	0	50	BGAA	in-vitro
Clc1ccc(NC[C@H]2CCCN2)c(Cl)c1	12404760	QLTUBMHLTQRLIG-SECBINFHSA-N	245.153	3.157	0	50	BGAA	in-vitro
COC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	12615431	KKHBYYBTKDEXEI-AMZBWDOQSA-N	222.328	3.156	0	50	BGAA	
Clc1ncnc2cccc(Br)c12	22221820	XCVRQUJTALTMRU-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
Oc1cncc(-c2ccc(Cl)cc2F)c1	156858087	ZZACTQKVVRZWFV-UHFFFAOYSA-N	223.634	3.247	0	50	BGAA	
CC1(C)[C@H]2CN(C(=O)C3(C4CCC4)CCC3)C[C@H]21	336285126	XZLQAWLPEJZPHU-BETUJISGSA-N	247.382	3.071	0	50	BGAA	
COc1ccc(F)cc1-c1c(C2CC2)n[nH]c1C	426429839	QDUOMUISGHTJLW-UHFFFAOYSA-N	246.285	3.410	0	50	BGAA	
Cc1cc(Cl)c(N)c(Br)c1C	1534067572	IAOZITVYIAPUDC-UHFFFAOYSA-N	234.524	3.302	0	50	BGAA	
Cc1cc(C)n2ncc(-c3ccccc3)c2n1	66688	OJFZWNJQKGLQJY-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	
C[C@](O)(Cc1ccccc1)c1ccccc1	1081112	QRKNKDBJZVZQNE-HNNXBMFYSA-N	212.292	3.137	0	50	BGAA	
CCCCCCOc1ccccc1C(=O)OC	5792424	ZXHROUGPIFOQPL-UHFFFAOYSA-N	236.311	3.432	0	50	BGAA	
C[C@H]1CN(C(C)(C)C)CC[C@@]1(O)c1ccccc1	13635491	BXLPAZLWXATNBH-BBRMVZONSA-N	247.382	3.015	0	50	BGAA	
Nc1ccc([C@H](O)c2ccc(Cl)cc2)cc1	16648277	KVIDWFPVCVKRDE-CYBMUJFWSA-N	233.698	3.004	0	50	BGAA	
Fc1ccc(-c2cccc(-c3cc[nH]n3)c2)nc1	19640721	QRMQXVOMTKUDGV-UHFFFAOYSA-N	239.253	3.278	0	50	BGAA	
Cc1nc2c(Br)cccc2s1	71245206	MTCUHGRDTIORBI-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	
Cc1ccc(-c2oncc2Br)cc1	86012906	WHXXUEWTPAJXDX-UHFFFAOYSA-N	238.084	3.413	0	50	BGAA	in-vitro
CC(C)(c1cccc(C(=O)O)c1)C(F)(F)F	224226973	DGWHDBMNKUCXFD-UHFFFAOYSA-N	232.201	3.225	0	50	BGAA	
N#Cc1ccc([C@H](N)c2ccc(Cl)cc2)cc1	230457074	ZOMBTFIMEKGKFO-AWEZNQCLSA-N	242.709	3.260	0	50	BGAA	
Cc1cc(NC(=O)c2occc2C(C)C)ccn1	284081293	SKQSHSVCUWHKBX-UHFFFAOYSA-N	244.294	3.359	0	50	BGAA	
Cn1ccnc1[C@H](NC1CCCCCC1)C1CC1	353882911	SAWFSGZNTFKNAZ-CQSZACIVSA-N	247.386	3.184	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2cccc(N)n2)c1	426545409	OYOOFNFTCCQSSU-JTQLQIEISA-N	228.295	3.038	0	50	BGAA	
CCOc1ccccc1OCc1cscn1	1615560496	OCTCZFXSZZMYBP-UHFFFAOYSA-N	235.308	3.121	0	50	BGAA	
CC(=O)c1ccc(NC(=O)C2CCCCC2)cc1	35880	MTMHJZSUQJILAB-UHFFFAOYSA-N	245.322	3.408	0	50	BGAA	
O=C(O)c1ccc(-c2cccs2)cc1	158700	CVDUBQJEQNRCIZ-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	
O=C(Nc1cccc2ccccc12)N1CCCC1	235303	HHBOKKBMLXCMSW-UHFFFAOYSA-N	240.306	3.468	0	50	BGAA	
CN1c2ccccc2Oc2nnc(Cl)cc21	236228	MLCQNZQXVSPVEE-UHFFFAOYSA-N	233.658	3.004	0	50	BGAA	
O=C(O)/C(=C/c1ccc(O)cc1)c1ccccc1	5278305	GAXUWNPJYOWVDR-GXDHUFHOSA-N	240.258	3.017	0	50	BGAA	
CCOC(=O)c1cc2c(s1)CC[C@@H](C)C2	12410863	MSFIVMGEJSVGSW-MRVPVSSYSA-N	224.325	3.050	0	50	BGAA	
Cc1scc(C(=O)Nc2nccs2)c1C	13330555	JOCHJKXQXUPYNE-UHFFFAOYSA-N	238.337	3.074	0	50	BGAA	
O=c1ccc2c(o1)/C(=C\C=C(Cl)Cl)CC2	33292944	ZQMYAUZNHWFGPV-CLTKARDFSA-N	243.089	3.288	0	50	BGAA	biogenic
CCCCCc1cc(=O)c2ccccc2n1C	87492966	CHULATXGEVFYAJ-UHFFFAOYSA-N	229.323	3.271	0	50	BGAA	biogenic,in-vitro
CC(C)(C)OC(=O)N1Cc2ccc(F)cc2C1	95775529	MHVSCAYFSBZWDK-UHFFFAOYSA-N	237.274	3.076	0	50	BGAA	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)C1CCCC1	247723430	BZXOABZMDMMILA-QKGCVVFFSA-N	247.382	3.118	0	50	BGAA	
COc1ncccc1NC1(C)CCCCC1	257373249	SUHDKONIILFOBA-UHFFFAOYSA-N	220.316	3.225	0	50	BGAA	
CCC[C@@H](O)c1ccc(-c2c[nH]nc2C)cc1	534591445	BFEKKNQHENVXHV-CQSZACIVSA-N	230.311	3.219	0	50	BGAA	
C[C@@H](NCC1CSC1)[C@@H]1C[C@H]1c1ccccc1	952883585	VHZLKIHMJCJPSP-UGFHNGPFSA-N	247.407	3.131	0	50	BGAA	
Cc1ccc(NC(=O)Nc2nc(C)cs2)cc1	43648	HPKTZFGRUZWHJK-UHFFFAOYSA-N	247.323	3.404	0	50	BGAA	
O=C(O)CSc1cccc2ccccc12	85145	PIQCZHHPDSYZPP-UHFFFAOYSA-N	218.277	3.017	0	50	BGAA	
Cc1ccc([C@@H]2OC(=O)c3ccccc32)cc1	170532	FCWFNXMQIVEVLU-AWEZNQCLSA-N	224.259	3.255	0	50	BGAA	
CCN(Cc1ccccc1)Cc1ccccn1	183174	YTRCZADXDUOUHF-UHFFFAOYSA-N	226.323	3.104	0	50	BGAA	
Cc1ccc(CN[C@@H](C)Cc2ccccc2)o1	276774	XJDMKPUUJXVUSW-LBPRGKRZSA-N	229.323	3.309	0	50	BGAA	
NC(=O)Oc1ccc(C2CCCCC2)cc1	285716	KZNJNDQVPSBLQD-UHFFFAOYSA-N	219.284	3.192	0	50	BGAA	
COc1ccc(-c2ccccc2C=O)cc1	1258122	RMFQIZQKPSRFAC-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
COc1ccc2c(c1)C(C)=CC(C)(C)N2	3682905	KQICGCZZOQMMAX-UHFFFAOYSA-N	203.285	3.303	0	50	BGAA	
CCOc1cc(CNC2CCCC2)ccc1OC	4891733	YKPDYSCZQTXOCS-UHFFFAOYSA-N	249.354	3.126	0	50	BGAA	
CCCc1nc2ccccc2n1[C@@H](CC)C(=O)O	6294313	QDBNBNZBMVJKRE-NSHDSACASA-N	246.310	3.025	0	50	BGAA	in-vitro
COc1ccccc1NC(=O)OC(C)(C)C	7610506	DHSWMVURURVRDB-UHFFFAOYSA-N	223.272	3.042	0	50	BGAA	in-vitro
CSc1ccc(F)cc1Br	16159745	XQGBAFLNAQHQNY-UHFFFAOYSA-N	221.094	3.310	0	50	BGAA	in-vitro
C[C@@H]1C=CC[C@]23CCc4ccccc4[C@]12COC3	43762073	XVTDUMANZNBCJR-XYPHTWIQSA-N	240.346	3.483	0	50	BGAA	
CCC/C=C/c1ccc(C(=O)NCC)s1	67934896	NSGHCGXESZHFRO-VOTSOKGWSA-N	223.341	3.311	0	50	BGAA	
C1=C[C@@]23C=C[C@]2(C=C1)Cc1ccccc1C3	71786845	DMKOUSPOSKNGHP-IYBDPMFKSA-N	206.288	3.454	0	50	BGAA	
OC1(c2cccc(Br)c2)CCCC1	75846663	ZYMFSRNLGZANMQ-UHFFFAOYSA-N	241.128	3.211	0	50	BGAA	
Cc1ccc(OCC2CCCCC2)cn1	116531931	REXUYGDJHGWYJT-UHFFFAOYSA-N	205.301	3.349	0	50	BGAA	
Cc1cccc(CNc2cncc(C)c2)c1	119572578	DBUVHGXULONDPV-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
C[C@@H](c1ccccc1)[C@@H]1CCCCCN1	235556625	RYPRWIHCYUTYSO-JSGCOSHPSA-N	203.329	3.322	0	50	BGAA	
CCOc1ncccc1-c1c(C2CC2)n[nH]c1C	534654502	HDDFUFLQIAOMCF-UHFFFAOYSA-N	243.310	3.056	0	50	BGAA	
CCCCOc1cc(F)ccc1-c1cnccn1	822876859	HKWXLRJMLOICSN-UHFFFAOYSA-N	246.285	3.462	0	50	BGAA	
CN(CCc1ccccc1)Cc1cccc(O)c1	217052	NNWSTOCPNYRJMO-UHFFFAOYSA-N	241.334	3.067	0	50	BGAA	
O=C(Cc1ccccc1)NCCC1=CCCCC1	306043	PJYIBAXNUIOHLI-UHFFFAOYSA-N	243.350	3.236	0	50	BGAA	
CCOC(=O)Nc1ccc(F)c(Cl)c1	461629	UIFQHMTVBKQBCW-UHFFFAOYSA-N	217.627	3.048	0	50	BGAA	
Cc1ccc(OCCCCn2ccnc2)cc1	2486265	MDOZVARRXPSALJ-UHFFFAOYSA-N	230.311	3.051	0	50	BGAA	
CC[C@H](C)NCCOc1cc(C)ccc1Cl	2823233	LIZKXPIBUYKDNY-NSHDSACASA-N	241.762	3.415	0	50	BGAA	
CCc1ccc(-c2nc(C)c(C(=O)O)s2)cc1	4206921	PJCLTRLEYYGFNR-UHFFFAOYSA-N	247.319	3.379	0	50	BGAA	
CC[C@H](Oc1cccc2ccccc12)C(=O)O	5953880	XSGCTWMYGZDHFS-LBPRGKRZSA-N	230.263	3.082	0	50	BGAA	
COC(=O)Nc1cc(C(F)(F)F)ccc1F	13327636	HAGGOARCQVYZQK-UHFFFAOYSA-N	237.152	3.023	0	50	BGAA	
O=C1c2ccccc2OC[C@H]1c1ccc(F)cc1	59151357	XKAFGKFIJBGYAP-ZDUSSCGKSA-N	242.249	3.185	0	50	BGAA	
CC(C)(C)c1cc(N)c(-c2ccncc2)o1	100231453	VFOSTFRVNIGNLB-UHFFFAOYSA-N	216.284	3.221	0	50	BGAA	
O=C(O)Cc1csc2cc(Cl)ccc12	140112816	ASCVJQNLBVEYQU-UHFFFAOYSA-N	226.684	3.182	0	50	BGAA	
N=c1[nH][nH]c(-c2ccccc2)c1C1=CCCCC1	575440989	FJUZRHGINSAXKQ-UHFFFAOYSA-N	239.322	3.447	0	50	BGAA	
CCc1nsc(N[C@@H](CC)c2ccccn2)n1	952963264	FCGMNJKARRGDFE-VIFPVBQESA-N	248.355	3.059	0	50	BGAA	
Cc1nc2cc(-c3ccc(N)nc3)ccc2s1	1236313110	JHBOVAUMDYGAPK-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
c1csc(-c2nccn2[C@@H]2C[C@@H]3CC[C@H]2O3)c1	1875249840	DZLWEEFHSRQSNM-HBNTYKKESA-N	246.335	3.104	0	50	BGAA	
O=C(CCOc1ccccc1)Nc1ccccc1	133049	FQHZQMFZPCTAHC-UHFFFAOYSA-N	241.290	3.094	0	50	BGAA	
C[C@@]12CC3CC(CC(=O)O)(C1)C[C@](C)(C3)C2	226205	FUOXJVUIQUYDDI-AMZBWDOQSA-N	222.328	3.458	0	50	BGAA	
O=C(O)[C@@H](Cc1ccc(F)cc1)c1ccccc1	299128	LVJVEADPGHXUKQ-AWEZNQCLSA-N	244.265	3.237	0	50	BGAA	
NP(=O)(Oc1ccccc1)Oc1ccccc1	1577136	QWMUDOFWQWBHFI-UHFFFAOYSA-N	249.206	3.211	0	50	BGAA	
COc1cc(Cl)ccc1[C@H]1CCCCN1	4237916	CCMUQPOROGJDHB-LLVKDONJSA-N	225.719	3.163	0	50	BGAA	in-vitro
Clc1ccc(NC2CCNCC2)cc1Cl	4312823	DIERXBUIDJOGAB-UHFFFAOYSA-N	245.153	3.157	0	50	BGAA	
COc1ccc(Cl)cc1-c1cnc(N)s1	13534490	VCPYULPKZQAXJI-UHFFFAOYSA-N	240.715	3.054	0	50	BGAA	
c1ccc(Cn2ccc3cccnc32)cc1	34559617	DBMKVSWIHRGBBC-UHFFFAOYSA-N	208.264	3.085	0	50	BGAA	
N[C@H]1CCCC[C@@H]1c1c[nH]c2ccccc12	37632877	XNYGRAFWZLKHBH-MFKMUULPSA-N	214.312	3.153	0	50	BGAA	in-vitro
Cc1ccccc1-c1ccc(C(=O)O)c(F)c1	38068158	SCNVVXHUHGWEHS-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Cc1c(C(=O)C(C)C)c2ccccc2n1C	71519315	XDTNBQPUEPURMN-UHFFFAOYSA-N	215.296	3.325	0	50	BGAA	
O=Cc1c(F)cc(OCc2ccccc2)cc1F	85224412	XLTBPFVUDIRJRR-UHFFFAOYSA-N	248.228	3.356	0	50	BGAA	
O=C(CSc1ccccc1)N[C@@H]1C=CCCC1	158525581	LWQYOSFQNJIYHW-GFCCVEGCSA-N	247.363	3.004	0	50	BGAA	
CC[C@@H](C)CC(=O)Nc1c(C)cc(C)nc1C	191864203	NNAYTGFTGKLSFW-SECBINFHSA-N	234.343	3.382	0	50	BGAA	
C[C@@H](Nc1cccc2c1CCO2)c1cccnc1	225452830	RFRNJYJLYWPGHH-LLVKDONJSA-N	240.306	3.190	0	50	BGAA	
CCc1cc(Br)cc(CC)c1C=O	238310829	FNFIRMHPWJUSFX-UHFFFAOYSA-N	241.128	3.386	0	50	BGAA	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1cccc(F)c1	245253906	RLVIJJSCRRZMFQ-UHIISALHSA-N	249.329	3.380	0	50	BGAA	
C1CC2(C1)C[C@H](N[C@H]1CCC13CCC3)CCO2	334418658	PJSLEZLUGHZKJJ-OLZOCXBDSA-N	235.371	3.010	0	50	BGAA	
Fc1ccc(-c2ccc(F)cc2F)nc1	885764927	RKUQBAQVAGDVEX-UHFFFAOYSA-N	209.170	3.166	0	50	BGAA	
COc1cccc(C(=O)NC2CCCCCC2)c1	30022	ATUISFSUUWWJFX-UHFFFAOYSA-N	247.338	3.148	0	50	BGAA	biogenic
CC[C@@H](C)NC(=O)c1ccc2ccccc2c1	455330	SIQNBRLLLMSEHW-LLVKDONJSA-N	227.307	3.368	0	50	BGAA	
CC(C)c1ccc(C(=O)Nc2cccnc2)cc1	461516	UXPRVYXRHDMOPP-UHFFFAOYSA-N	240.306	3.457	0	50	BGAA	
O=C(c1cccc(C(F)(F)F)c1)C1CC1	2514286	NYNWWUZGUWKJEP-UHFFFAOYSA-N	214.186	3.298	0	50	BGAA	in-vitro
Cc1ccc(O)c(NC(=O)OC(C)(C)C)c1	7610496	WVQYSZHSAWUZMS-UHFFFAOYSA-N	223.272	3.048	0	50	BGAA	
CC(=O)c1ccc(Br)cc1Cl	21300130	QYKIWOVJASCUBH-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
CC(C)(C)[C@@H]1CC(=O)[C@H](C(C)(C)C)CC1=O	44559770	QGMVFJOKDPISNS-NXEZZACHSA-N	224.344	3.243	0	50	BGAA	
CC(C)(C)OC(=O)N1CCC[C@H]1c1ccncc1	72211028	JERJWJYZAWNCDM-LBPRGKRZSA-N	248.326	3.154	0	50	BGAA	
CC(C)c1nc(-c2nccs2)cs1	149862674	KZMZFWFUMBHHHP-UHFFFAOYSA-N	210.327	3.390	0	50	BGAA	
CC(C)c1cc(NC(=O)[C@H]2CCC[C@H](C)C2)[nH]n1	175697270	OQNYRMOCSRCJIT-QWRGUYRKSA-N	249.358	3.298	0	50	BGAA	
Cc1ccc([C@H](C)CC[C@H](O)C(C)(C)O)cc1	214550636	BHAUXXMLNYMKFX-OCCSQVGLSA-N	236.355	3.011	0	50	BGAA	biogenic
Cc1nc(-c2cccc(-c3ccncc3)c2)no1	426410450	GXWDNKZJQGQCIF-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
CCO[C@@H](C)c1ccc(-c2c[nH]ccc2=N)cc1	1506419365	ZOVJCPAMBZIPOB-NSHDSACASA-N	242.322	3.259	0	50	BGAA	
Clc1ccc2c(c1)C=CC[C@@]21CCCNC1	1775964885	KEAKVWCOFYTFNV-AWEZNQCLSA-N	233.742	3.378	0	50	BGAA	
COc1cccc2c(Cl)cc(C)nc12	318004	RHSCPZBPNUZBOA-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
CC(C)CN(CC(C)C)C(=O)c1ccco1	474216	IKNLFXNWRFYVBP-UHFFFAOYSA-N	223.316	3.034	0	50	BGAA	
CC[n+]1ccccc1/C=C/c1cccs1	4774996	LAPHSPCPWJXNJP-CMDGGOBGSA-N	216.329	3.226	0	50	BGAA	
Cn1c(C=O)ccc1-c1ccc(Cl)cc1	5017056	DAQYSXUEFNMIPO-UHFFFAOYSA-N	219.671	3.158	0	50	BGAA	in-vitro
FC(F)(F)c1c[nH]c(=S)c(Cl)c1	5730954	TZCNTBWWNBGRFJ-UHFFFAOYSA-N	213.611	3.416	0	50	BGAA	in-vitro
c1ccc([C@]23CCCC[C@@H]2CCCN3)cc1	6116554	QEXADSRMRUUCQJ-HUUCEWRRSA-N	215.340	3.456	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)NC1CCC1	13331741	GRVATMQIKRCRTE-UHFFFAOYSA-N	224.691	3.014	0	50	BGAA	
CC[C@@H]1O[C@H](c2ccccc2)OC[C@@H]1C	43763375	KOQWEPKLQXHNAL-WCFLWFBJSA-N	206.285	3.147	0	50	BGAA	
CS[C@@H](C)Cc1nc2c(C)cccc2[nH]1	67834457	BQHIMEUCLHCRDH-VIFPVBQESA-N	220.341	3.165	0	50	BGAA	
CC(=O)CC(=O)c1ccc(Cl)c(Cl)c1	100238357	HBOMYKORCDAKSI-UHFFFAOYSA-N	231.078	3.155	0	50	BGAA	
C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](CC(=O)O)(C3)C2	100244488	FUOXJVUIQUYDDI-OPAWKCGKSA-N	222.328	3.458	0	50	BGAA	
Cc1cccc(N[C@@H]2CCc3c(O)cccc32)n1	157777047	KTICZEGXDCLCBS-CYBMUJFWSA-N	240.306	3.195	0	50	BGAA	
C[Sn](C)(C)C1=CCCCC1	169827701	GZVUGZYOCWEERZ-UHFFFAOYSA-N	244.954	3.364	0	50	BGAA	
CC1=CC[C@@H]2[C@H](C[C@@H]3C[C@@H]32)C(=O)[C@@H]2CC=C[C@@H]12	257355572	BJTUNDNVJCZYIV-SOAFEQHCSA-N	228.335	3.370	0	50	BGAA	
CC(C)COc1cc(Cl)ccc1O	261493726	IBHMVSKNEYDMQH-UHFFFAOYSA-N	200.665	3.080	0	50	BGAA	
CCN(CC)CCOc1cccc(Cl)c1	182415	IMTRAVTUVOTXEF-UHFFFAOYSA-N	227.735	3.061	0	50	BGAA	
Cc1cccc(-c2ccc(CC(=O)O)cc2)c1	1259876	ABKKNUMOLNPQHN-UHFFFAOYSA-N	226.275	3.289	0	50	BGAA	
CCN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21	2485547	RJUTVACDIZQGRJ-CQSZACIVSA-N	228.339	3.463	0	50	BGAA	biogenic
CCCNC(=O)Nc1ccc(F)c(Cl)c1	2849066	XYXWXTJYLQLETH-UHFFFAOYSA-N	230.670	3.011	0	50	BGAA	
CCCc1ccc(OCC)c(-c2cc(N)[nH]n2)c1	4234679	IXJOEKBVCNPDTM-UHFFFAOYSA-N	245.326	3.010	0	50	BGAA	
CC(C)(Oc1ccc(Cl)cc1Cl)C(=O)O	4804309	DVCPZLUILSFNDO-UHFFFAOYSA-N	249.093	3.235	0	50	BGAA	in-vitro
O=C(O)C1C(c2ccccc2)=C1c1ccccc1	4829990	LRFRUFJNOGIAFA-UHFFFAOYSA-N	236.270	3.312	0	50	BGAA	
O=C(O)c1cccc(OCc2cccc(F)c2)c1	4943981	PBEUDJJYJYWQOV-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	
Cc1ccccc1CSc1ncccn1	6318959	QAWDEMVOGAJEEJ-UHFFFAOYSA-N	216.309	3.077	0	50	BGAA	
CC1CCN(SN2CCC(C)CC2)CC1	15781974	ZYBMJGURKLCBKD-UHFFFAOYSA-N	228.405	3.013	0	50	BGAA	
O=C(Cc1cccc(F)c1)c1ccc(F)cc1	36940533	IPPIIKGVHOSCAZ-UHFFFAOYSA-N	232.229	3.390	0	50	BGAA	
Clc1cccc(OCC[C@@H]2CCCNC2)c1	38580678	IILDPWLLLDABKQ-NSHDSACASA-N	239.746	3.109	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2c[nH]c(C)n2)cc1	65375110	JOVPOFTWGGGLSM-SNVBAGLBSA-N	230.311	3.483	0	50	BGAA	
Cc1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1	65404591	REQISOCOASAPIG-UHFFFAOYSA-N	242.200	3.284	0	50	BGAA	
Fc1cc(Cl)cnc1OCc1ccccc1	89064362	UMRGQFIHBZQARP-UHFFFAOYSA-N	237.661	3.453	0	50	BGAA	
Cc1cccc(C)c1OCc1nnc(C2CC2)o1	111858500	FPUXFYXWANSKEF-UHFFFAOYSA-N	244.294	3.143	0	50	BGAA	
FC(F)c1cnc(Cl)cc1Br	216104894	MBFJSZCQCIRFHR-UHFFFAOYSA-N	242.450	3.435	0	50	BGAA	
CCCOc1c(F)cc(Cl)cc1F	261493750	IOWCQAKMMNSAPY-UHFFFAOYSA-N	206.619	3.407	0	50	BGAA	
COc1cc(F)ccc1-c1nccn1C(C)C	426494294	NKZDDNCTJSMSRR-UHFFFAOYSA-N	234.274	3.279	0	50	BGAA	
Cc1nc2cc(-c3ccnc(N)c3)ccc2s1	1241162171	GFZNCHQRPDNDPV-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
Cc1cccc(C(=O)N(C)Cc2ccccc2)c1	29579	JKZAMMGRYHTBNY-UHFFFAOYSA-N	239.318	3.267	0	50	BGAA	
CCCC(=O)N1CCC(Cc2ccccc2)CC1	475292	BJHVZCJXHHPAQV-UHFFFAOYSA-N	245.366	3.268	0	50	BGAA	
Cc1ccc(C(=O)OCc2ccccc2)cc1	1622006	LNXGEZSXCGDUSD-UHFFFAOYSA-N	226.275	3.352	0	50	BGAA	
Cc1cccc(OC(F)(F)C(F)F)c1	1995188	LZZXOCVBAKJDOO-UHFFFAOYSA-N	208.154	3.232	0	50	BGAA	
Cc1cccc2sc(Br)nc12	2513817	YDBIDZHRJCRSKR-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	in-vitro
O=Cc1ccc(-c2cccc(Cl)c2)nc1	2527553	UYPJIOKMLQLNER-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	
Cc1oc(-c2ccc(F)cc2)cc1C(=O)O	2563884	NGJWATPYRGMGHI-UHFFFAOYSA-N	220.199	3.092	0	50	BGAA	
CCCOc1ccc2c(CC)cc(=O)oc2c1C	2814236	GGQNRYBCKHJHRB-UHFFFAOYSA-N	246.306	3.453	0	50	BGAA	
O=Cc1cccnc1-c1ccc(Cl)cc1	3884532	PJNJVFWVQRIGKX-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	
Cc1cccc(CC(=O)NCC2CCCCC2)c1	6742617	JBCGQIVAPUWTHA-UHFFFAOYSA-N	245.366	3.234	0	50	BGAA	
Cc1ccnc(-c2cccc(-c3cc[nH]n3)c2)c1	19799296	VTTUFNBMSOPZMK-UHFFFAOYSA-N	235.290	3.447	0	50	BGAA	
CC(=O)c1ccc(N2CCC[C@@H](C)C2)c(F)c1	19870997	XCRXOYDQRBYDEP-SNVBAGLBSA-N	235.302	3.265	0	50	BGAA	
CC(C)NC(=O)[C@H](C)Oc1ccccc1C(C)C	20046351	DSYHMNWBHJEHAM-LBPRGKRZSA-N	249.354	3.102	0	50	BGAA	
O=c1cccc(-c2ccc(C(F)(F)F)cc2)[nH]1	44062902	DWKCKXNQFDMEDU-UHFFFAOYSA-N	239.196	3.061	0	50	BGAA	in-vitro
FCc1c(F)cccc1Br	214774029	OKGOWUXVWUOBPY-UHFFFAOYSA-N	207.017	3.058	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2ccc(N)nc2C)cc1	1506405142	VCDDCPKLLWBQAB-NSHDSACASA-N	242.322	3.347	0	50	BGAA	
CCOc1ccc(C(=O)NC(CC)CC)cc1	31639	JJQGHJQXOJDZSC-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
CC1(C)CC(O)CC(C)(C)N1Cc1ccccc1	393329	VLTHAKKFNPUWSB-UHFFFAOYSA-N	247.382	3.201	0	50	BGAA	
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1	900693	XKJMBINCVNINCA-UHFFFAOYSA-N	249.097	3.019	0	50	BGAA	biogenic,in-vitro
Cc1ccccc1-c1ccc(CC(=O)O)cc1	1257461	DPSNOJFKFDUDFZ-UHFFFAOYSA-N	226.275	3.289	0	50	BGAA	
O=C(O)c1sc(Cl)c(Cl)c1Cl	2173186	FVFYTPFJDMYLJS-UHFFFAOYSA-N	231.487	3.407	0	50	BGAA	
O=Cc1cc(-c2ccccc2)n(-c2ccccc2)n1	2527274	KUMVINZWWAVEME-UHFFFAOYSA-N	248.285	3.352	0	50	BGAA	in-vitro
CCC(CC)NC(=O)Nc1ccccc1C	6726130	GUWYWNSKADUXRS-UHFFFAOYSA-N	220.316	3.305	0	50	BGAA	
c1coc(CNCc2ccc3[nH]ccc3c2)c1	15424188	FZUBLHQIJLZUJH-UHFFFAOYSA-N	226.279	3.051	0	50	BGAA	
CCC(=O)c1cc(Br)ccc1F	36180160	ZTNPZJQLIBWJDY-UHFFFAOYSA-N	231.064	3.181	0	50	BGAA	in-vitro
CCCNCc1cccc(Br)c1F	85476876	AJMVFASBWROMOG-UHFFFAOYSA-N	246.123	3.088	0	50	BGAA	
Cc1ccc(F)c(-c2c(F)cccc2F)n1	113560362	GWJLTCGRKGCBMZ-UHFFFAOYSA-N	223.197	3.474	0	50	BGAA	in-vitro
O=C(O)c1ccc2oc(-c3ccccn3)cc2c1	114961754	YBIOCJRCUGDRJU-UHFFFAOYSA-N	239.230	3.193	0	50	BGAA	
CC(C)CC[C@@H]1CCCCN1CCCC(=O)O	133354246	LDKSQQBAEHUTMG-ZDUSSCGKSA-N	241.375	3.142	0	50	BGAA	
CCC[C@](C)(CO)NCc1cc(C)c(C)cc1C	170632738	ASVGDIZMKCPQSF-MRXNPFEDSA-N	249.398	3.253	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)[C@H]1C[C@H]2CC[C@H]1C2	244507454	ZMIGPLLQWVBJJK-XUXIUFHCSA-N	235.371	3.214	0	50	BGAA	
Clc1ccc(-c2noc(C3CCC3)n2)cn1	725273741	YQVOHFJGOWDYLK-UHFFFAOYSA-N	235.674	3.053	0	50	BGAA	
COc1cnccc1-c1cc(C)ccc1OC	1239767270	DOZTUPFCRBQHLN-UHFFFAOYSA-N	229.279	3.074	0	50	BGAA	
CC1CCN(C(=S)Nc2ccccc2)CC1	86916	WXYKAMQINZQPRT-UHFFFAOYSA-N	234.368	3.115	0	50	BGAA	
O=C(Nc1ccccn1)c1cccc2ccccc12	407970	DVAUIGOBCORSKU-UHFFFAOYSA-N	248.285	3.487	0	50	BGAA	
CC(C)CC(=O)Nc1nc(C(C)(C)C)cs1	412589	USEFZEAYXDKSQR-UHFFFAOYSA-N	240.372	3.425	0	50	BGAA	
CC[C@@H](C(=O)Nc1ccccn1)c1ccccc1	438783	QUXZVSPEGBUMBE-CYBMUJFWSA-N	240.306	3.214	0	50	BGAA	
Fc1ccccc1NC(=S)NC1CCCC1	454806	XISCPSQNSZXYFR-UHFFFAOYSA-N	238.331	3.055	0	50	BGAA	
CCCO[C@H](C)OCCc1ccccc1	1850815	FMYCPRQGKSONCP-LBPRGKRZSA-N	208.301	3.018	0	50	BGAA	endogenous,in-man
Brc1cnc(-c2ccccc2)o1	2565743	MSXVETKZQOUBNB-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
Cc1cccc(Cl)c1C(=O)C(F)(F)F	2579841	ZSDGGHKYFJYEOM-UHFFFAOYSA-N	222.593	3.393	0	50	BGAA	
N=C(O)C[C@@H](c1ccc(F)cc1)c1ccco1	4318584	WHFLBQFRLCHZJO-NSHDSACASA-N	233.242	3.476	0	50	BGAA	
CCC(C)(C)c1ccc(OCCN(C)C)cc1	4906013	DOWARIDMWQLNEP-UHFFFAOYSA-N	235.371	3.315	0	50	BGAA	
COc1ccc(-c2cnn(CC3CC3)c2)cc1F	96136790	WBVLOCFMUHMZHW-UHFFFAOYSA-N	246.285	3.108	0	50	BGAA	
O=C(Cc1ccc(Cl)cc1)N[C@H]1C=CCCC1	196504593	BTMBDPXYBLDSNU-ZDUSSCGKSA-N	249.741	3.107	0	50	BGAA	
Cc1ccc(Cl)c(C(=O)NC(C)(C)C)c1	261494518	ZONKAEBOJDRMFO-UHFFFAOYSA-N	225.719	3.177	0	50	BGAA	
CCc1c(C)noc1NC(=O)c1cc(C)oc1C	1529184633	CBROVYNSBMQVNP-UHFFFAOYSA-N	248.282	3.008	0	50	BGAA	
CC(=O)c1ccc2c3c([nH]c2c1)CCCC3	233278	JIVSTKCFCPNRMT-UHFFFAOYSA-N	213.280	3.249	0	50	BGAA	
Cc1ccc(NC(=O)C(C)(C)C)cc1C	282100	JGIPPLZKJLOOEL-UHFFFAOYSA-N	205.301	3.288	0	50	BGAA	
Oc1cc(O)cc(/C=C/c2ccccc2)c1	901115	YCVPRTHEGLPYPB-VOTSOKGWSA-N	212.248	3.268	0	50	BGAA	biogenic,in-vitro
O=Cc1ccc(-c2ccc(Cl)s2)nc1	2527535	HGFNYFITEFXFBR-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	
COc1ccc(CNC(C)(C)C)cc1Cl	2885301	PCBPDEHTFUGNNP-UHFFFAOYSA-N	227.735	3.237	0	50	BGAA	
Cc1ccccc1NC(=S)NCc1ccco1	8683551	MHRQBOZRJSWRDY-UHFFFAOYSA-N	246.335	3.075	0	50	BGAA	
COC(=O)[C@@H]1CCCCCCCCCC[C@@H]1O	43214740	PSFZBCFUPIGJHJ-OLZOCXBDSA-N	242.359	3.051	0	50	BGAA	
c1ccc2[nH]c(CNCC3CCCCC3)nc2c1	43258176	QOUWTEPLOKGCEU-UHFFFAOYSA-N	243.354	3.233	0	50	BGAA	
COc1ccc(F)c(-c2ccc(C(=O)O)cc2)c1	65339763	YNZGMSBGLAIBNE-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CC(C)n1ncnc1CCCc1ccc(F)cc1	91877281	DGBMEODDDBPYRQ-UHFFFAOYSA-N	247.317	3.173	0	50	BGAA	
CC1(C)CC(=O)C(Sc2ccccc2)C(=O)C1	196458478	RHFUXGNBGOUETF-UHFFFAOYSA-N	248.347	3.106	0	50	BGAA	
CCOC(=O)/C=C\Cc1ccc(Cl)cc1	228885333	DFCNNAZQKCVOON-HYXAFXHYSA-N	224.687	3.002	0	50	BGAA	
CCCOc1cc(O)ccc1C(F)(F)F	261494221	SCHNYVOFQPSDPT-UHFFFAOYSA-N	220.190	3.200	0	50	BGAA	
Cc1nnc(-c2ccccc2-c2ccncc2)o1	426618051	BTOWHKPORJGNFI-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
FC1(F)[C@H]2C[C@H](N3CCc4ccccc4C3)C[C@H]21	1875298290	VXSPVNMCMNIODJ-ZSOGYDGISA-N	249.304	3.088	0	50	BGAA	
O=C(Nc1ccccc1Cl)c1ccc(O)cc1	131982	JVCCTLINZOCSLG-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
C[C@H](O)Cn1c2ccccc2c2ccccc21	246345	ILZPUGYJDHJVNY-NSHDSACASA-N	225.291	3.175	0	50	BGAA	biogenic
CC(=O)Nc1ccc(Br)c(C)c1C	465873	DRLNKKJJMCEQAD-UHFFFAOYSA-N	242.116	3.024	0	50	BGAA	
Cc1cccc(COc2cccc(C=O)c2)c1	2558320	KUBQGVFWIDMJLR-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
Nc1cc(Cl)ccc1C(=O)c1ccccc1F	2560286	OBXGOBSNRWWAOU-UHFFFAOYSA-N	249.672	3.292	0	50	BGAA	biogenic
O=C(NC1CCCCC1)c1ccc(F)cc1F	2864481	QKRBICVFLRCBND-UHFFFAOYSA-N	239.265	3.027	0	50	BGAA	
C[C@@H]1CC[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	6031137	AYXPYQRXGNDJFU-IMNVLQEYSA-N	222.372	3.466	0	50	BGAA	biogenic,in-vitro
CC(C)(CN)c1ccc(Cl)cc1Cl	11884491	IJHSMHSWPHPDBK-UHFFFAOYSA-N	218.127	3.230	0	50	BGAA	in-vitro
COc1ccc([C@@H]2CCC[C@@H](CC(=O)O)C2)cc1	34133030	ATOJJGJTWYSPGT-DGCLKSJQSA-N	248.322	3.444	0	50	BGAA	
CSc1cc(Br)ccc1C	38537358	BTJYDFNXIOKYJM-UHFFFAOYSA-N	217.131	3.479	0	50	BGAA	in-vitro
CCC/C=C/c1ncccc1NC(=O)C1CC1	67605083	XOFYMNAXDLYJGO-GQCTYLIASA-N	230.311	3.243	0	50	BGAA	
CC[C@H]1[C@@H](C)C[C@H]2[C@@H]1C=C[C@@H]1C(=O)CC[C@@H]12	71786249	UHGLRFXIWOZSQU-XQZGEAEESA-N	218.340	3.450	0	50	BGAA	
FC1(F)C=C(Cl)C(F)(F)C1(F)F	71790211	VJKCESNYEZQMBC-UHFFFAOYSA-N	210.504	3.029	0	50	BGAA	
CCc1nccn1Cc1sccc1Cl	239761237	CJGDMKSBXGFYTC-UHFFFAOYSA-N	226.732	3.209	0	50	BGAA	
Cc1ccccc1C(=O)Nc1ccc(F)cc1	128535	NXORULDOCYGHRM-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1	157385	FBJLATKOADLRTN-UHFFFAOYSA-N	245.669	3.125	0	50	BGAA	
COc1ccc(CN2CCCC[C@H]2C)cc1C	277931	MKJXJNCXFZHYPV-CYBMUJFWSA-N	233.355	3.378	0	50	BGAA	
CC[C@H](C)NC(=S)Nc1ccccc1Cl	314760	PITIASLCZJJAAU-QMMMGPOBSA-N	242.775	3.425	0	50	BGAA	
CCCN(C)C(=O)Nc1cccc(SC)c1	401984	CKISIFIERHXKGE-UHFFFAOYSA-N	238.356	3.282	0	50	BGAA	
Cc1cc(C(=O)N2CCc3ccccc32)cs1	1054772	GJVPFQJAUFESHQ-UHFFFAOYSA-N	243.331	3.259	0	50	BGAA	
CCOC(=O)COc1cc(C)ccc1C(C)C	1459361	HRNMZTVOCSNNOO-UHFFFAOYSA-N	236.311	3.060	0	50	BGAA	in-vitro
c1ccc(OCCCCN2CCCCC2)cc1	2493543	XLDXCWGOXWMBAX-UHFFFAOYSA-N	233.355	3.332	0	50	BGAA	
CCc1ccc(C(=O)NCc2ccccc2)cc1	2632717	VTAXGGINXFUGDN-UHFFFAOYSA-N	239.318	3.179	0	50	BGAA	
Cc1ccc([C@@H](O)c2cccc(C)c2)cc1	4255606	CPBLKWQHXVGPLN-OAHLLOKOSA-N	212.292	3.385	0	50	BGAA	biogenic
Clc1ccccc1CNC1CCCC1	4681254	YCUQBQVCEWRARR-UHFFFAOYSA-N	209.720	3.372	0	50	BGAA	in-vitro
CCCC(=O)Nc1cccc(NC(=O)C(C)C)c1	5859048	KWVXCUQNZCLJRF-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
CCc1ccc([C@H](C)NC(=O)C2CCC2)cc1	6741301	HCTHQWFXUGFBQY-NSHDSACASA-N	231.339	3.226	0	50	BGAA	
Cc1ccc(O[C@@H](C(=O)O)c2ccccc2)cc1	11801843	FZOJWMLWBZBDCV-CQSZACIVSA-N	242.274	3.200	0	50	BGAA	
COc1ccccc1-c1ccc(F)c(C(=O)O)c1	38068146	NWEJVOAMFCGCSS-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	
COc1ccc(C(=O)C[C@@H]2CCCCC2=O)cc1	39194415	CABDOYSYTKMUPL-LBPRGKRZSA-N	246.306	3.027	0	50	BGAA	
C=CCC(O)(c1ccccc1)c1ccccc1	117706280	MCIWONLOVGQSQX-UHFFFAOYSA-N	224.303	3.499	0	50	BGAA	
Cc1ccncc1NC(=O)[C@H](C)c1ccccc1	123282530	KVKDYQWYDVBSMV-GFCCVEGCSA-N	240.306	3.132	0	50	BGAA	
Fc1cccc(Br)c1C1CC1	206127126	SYCSLHKPDSGTAQ-UHFFFAOYSA-N	215.065	3.466	0	50	BGAA	
Clc1c(Br)ccc2c1NCCC2	217819636	DNYIIBGAKKKZBD-UHFFFAOYSA-N	246.535	3.461	0	50	BGAA	
Cc1c(N)cccc1-c1ccc2c(c1)OCCO2	232215168	LUMPMFJBIPSKQV-UHFFFAOYSA-N	241.290	3.015	0	50	BGAA	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C1CC=CC1	247000931	NDRVJLYALVCJFN-KWCYVHTRSA-N	233.355	3.132	0	50	BGAA	
Cc1cc(OC(F)(F)F)c(F)cc1F	263623031	CZNPJAFSRMEACD-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
CO[C@H](C)c1ccc(-c2nccc(C)n2)cc1	426661901	BHSFOIRYBYROGC-LLVKDONJSA-N	228.295	3.159	0	50	BGAA	
Cc1ccc([C@H](CC(=O)O)c2ccco2)cc1	209106	SRXLYDLLEQHJJL-LBPRGKRZSA-N	230.263	3.195	0	50	BGAA	
CC(C)C1(C(C)C)OC(=O)c2ccccc21	346131	WOMQEDDXWHIJSZ-UHFFFAOYSA-N	218.296	3.364	0	50	BGAA	
Cc1ccc(C(=O)NCc2ccccc2)c(C)c1	557917	YVQBRJTVXDMAET-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
Cc1ccc(C(=O)NCc2ccccc2F)s1	3359627	SMQQCMYALVWAAA-UHFFFAOYSA-N	249.310	3.126	0	50	BGAA	
Fc1ccc(N2Cc3ccsc3C=N2)cc1	4041323	WULKKVBHCWANTM-UHFFFAOYSA-N	232.283	3.241	0	50	BGAA	
C[C@H]1C[C@H](C)CN(c2ccc(N)cc2Cl)C1	8701188	DEZBYVVELTVSTE-UWVGGRQHSA-N	238.762	3.405	0	50	BGAA	
Cc1ccc(-c2csc(S)n2)cc1	13111853	IFHSFJUUGCCKOC-UHFFFAOYSA-N	207.323	3.407	0	50	BGAA	in-vitro
O=C(NC1CCCCC1)c1cc(F)ccc1F	16625874	LCCWOPPQEMMBGH-UHFFFAOYSA-N	239.265	3.027	0	50	BGAA	
COc1ccc(Br)cc1OC(C)C	38537111	MOYPCCQJVWYSQF-UHFFFAOYSA-N	245.116	3.245	0	50	BGAA	in-vitro
CN(C)c1ccccc1-c1cccc(C(=O)O)c1	41663294	NFUXGIOHGLAWBS-UHFFFAOYSA-N	241.290	3.118	0	50	BGAA	in-vitro
Clc1ncc2scc(Br)c2n1	72187460	OJKRQQNUFWOJAV-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
C[C@H](c1ccc(-c2ccc(O)cn2)cc1)N(C)C	96180814	VVPAFQQUNDOJRD-LLVKDONJSA-N	242.322	3.077	0	50	BGAA	
C[C@@]1(Cc2ccccc2C(F)(F)F)CCCN1	124138726	YWGJRKLRPMNNPE-LBPRGKRZSA-N	243.272	3.390	0	50	BGAA	
CC[C@H]1C[C@H]1NC(=O)c1cc2cc(C)ccc2o1	170627021	MHSAXCJYAKYOCO-CMPLNLGQSA-N	243.306	3.270	0	50	BGAA	
Cc1cc([C@H](C)Nc2cnn(CC(C)C)c2)no1	281035061	PMVYWWUAWXEJQE-NSHDSACASA-N	248.330	3.009	0	50	BGAA	
Cc1occc1CN1CCC[C@H]1c1cccnc1	334579183	KVKINCFZXMDKNC-HNNXBMFYSA-N	242.322	3.320	0	50	BGAA	
O=C(NCc1ccccc1)c1ccccc1Cl	74895	XZGDVGQQACMHDH-UHFFFAOYSA-N	245.709	3.270	0	50	BGAA	
CC(C)C(=O)Nc1cccc2ccccc12	399318	JFPRISUCQTXAPA-UHFFFAOYSA-N	213.280	3.434	0	50	BGAA	
[O-][n+]1c2c(cc3ccccc31)Cc1ccccc1-2	402096	LGCBOVYXXONLPU-UHFFFAOYSA-N	233.270	3.044	0	50	BGAA	
c1ccc(-c2noc(C3CCCCC3)n2)nc1	793089	GHDYYRXLXJGOQG-UHFFFAOYSA-N	229.283	3.179	0	50	BGAA	
COc1cccc(COc2ccccc2C=O)c1	2566618	WPCZKSLEFCXSBX-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro
CC(C)(C)NCCOc1cccc(Cl)c1	2931281	BQCSPHIPQWJIIS-UHFFFAOYSA-N	227.735	3.107	0	50	BGAA	
c1ccc2c([C@H]3CSCCN3)cccc2c1	4253932	JROQJAPTCKSEBT-CQSZACIVSA-N	229.348	3.217	0	50	BGAA	
CC(C)Cc1ccc2cc(C(=O)O)[nH]c2c1	6658307	DDMDARSEWSOLBQ-UHFFFAOYSA-N	217.268	3.065	0	50	BGAA	in-vitro
CC(C)=CCC[C@@H](C)CCN1CCC[C@H](O)C1	42465250	DUVCPZKQVRGBMO-CABCVRRESA-N	239.403	3.216	0	50	BGAA	
Cc1cnc(N)c(-c2ccc(OC(C)C)cc2)c1	70405158	MFJUMGGHPUDKJU-UHFFFAOYSA-N	242.322	3.426	0	50	BGAA	
Br[C@@]12C=C[C@@H](C1)c1ccccc12	71786058	WWCIEGRATKCRJN-KWQFWETISA-N	221.097	3.334	0	50	BGAA	
O=C(N1CCCC1)C12CC3C[C@H](CC[C@@H](C3)C1)C2	100221095	WTEZNGNNKSPVCQ-ILGZHXLLSA-N	247.382	3.215	0	50	BGAA	
ClC1(Cl)[C@@H]2C[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3[C@H]21	100353020	BIINRMZJEXKKCL-JAJCVEGXSA-N	215.123	3.248	0	50	BGAA	
CC(=O)Nc1cccc(NCCCCCF)c1	252488097	IJLZWMWWGGQHNQ-UHFFFAOYSA-N	238.306	3.197	0	50	BGAA	
C[C@@H]1CC[C@@H](c2nc(Cc3cncs3)no2)C1	330093349	ZQMJOVOJYQXSFI-RKDXNWHRSA-N	249.339	3.021	0	50	BGAA	
C[C@H]1CCCN(C(=O)c2ccsc2Cl)C1	665090600	VDJBDFORTFVBLY-QMMMGPOBSA-N	243.759	3.274	0	50	BGAA	
O=Cc1c(F)cccc1-c1ccccc1C(=O)O	725273036	XMAULVNLXXJETD-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
Fc1ccc(-c2ccnc(C(F)F)c2)cn1	725273643	RTRJSPDBRHFAII-UHFFFAOYSA-N	224.185	3.220	0	50	BGAA	
CC(C)CS[C@@H]1CC(=O)CC[C@H]1C	725360376	HKPFLYADEIYTEP-MWLCHTKSSA-N	200.347	3.133	0	50	BGAA	
CCC1=CN(C)C(=CC=C2C=CN=C2)C=C1	1857795446	GFERYUDVJDMIDQ-UHFFFAOYSA-N	212.296	3.190	0	50	BGAA	
CC[C@@H](c1cccc(O)c1)[C@@H](C)CN(C)C	20783	KWTWDQCKEHXFFR-SMDDNHRTSA-N	221.344	3.084	0	50	BGAA	fda
CN(CCc1ccccn1)C1CCCCCC1	221074	ASIJWWAKSXZEHH-UHFFFAOYSA-N	232.371	3.279	0	50	BGAA	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O	241544	FUPGQEMJIGUBGO-LLVKDONJSA-N	242.274	3.206	0	50	BGAA	
COc1ccc(C(C)=O)c2ccccc12	1695308	RSBOFKOICCVYNF-UHFFFAOYSA-N	200.237	3.051	0	50	BGAA	in-vitro
CCN(CC)CCOc1c(C)cccc1Cl	4989655	ZBKQNNABMGKDOX-UHFFFAOYSA-N	241.762	3.369	0	50	BGAA	
O=c1[nH]cccc1-c1csc2ccccc12	65385522	QWYXMPMGRZYLKH-UHFFFAOYSA-N	227.288	3.257	0	50	BGAA	
CC(C)(C)OB(OC(C)(C)C)OC(C)(C)C	169746853	ZMCWFMOZBTXGKI-UHFFFAOYSA-N	230.157	3.417	0	50	BGAA	in-vitro
C=CC(=O)N1CC(C)(C)Sc2ccccc21	848979775	ZZBGVWYKSJKMKP-UHFFFAOYSA-N	233.336	3.090	0	50	BGAA	
Cc1c(-c2csc(C(C)(C)C)n2)cnn1C	1875279639	DTZFGWSYQHKBEH-UHFFFAOYSA-N	235.356	3.150	0	50	BGAA	
Cc1cc(Br)ccc1Cl	394947	OZFQMHJKAODEON-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	biogenic,in-vitro
Cc1cc(C)c(OCCCN(C)C)c(Cl)c1	2825152	LOFKUVDOIMUDRV-UHFFFAOYSA-N	241.762	3.287	0	50	BGAA	
CCCOc1ccc2c(C)c(CC)c(=O)oc2c1	2827220	RHVSRBSQBYZNFQ-UHFFFAOYSA-N	246.306	3.453	0	50	BGAA	
CC(C)(C)c1ccc2cc(C(=O)O)[nH]c2c1	3748697	LDUYCWKFEAHQRF-UHFFFAOYSA-N	217.268	3.164	0	50	BGAA	in-vitro
FC(F)(F)Oc1ccccc1Br	4242145	ITYCJCVRPBLODP-UHFFFAOYSA-N	241.006	3.348	0	50	BGAA	in-vitro
CC(=O)SC(C)(C)[C@@H]1CC[C@H](C)CC1=O	6037699	AMXPURQVAMENCC-WCBMZHEXSA-N	228.357	3.050	0	50	BGAA	biogenic
Clc1ccc(CCNCc2cccnc2)cc1	19841326	KZJZOFGDJZVABM-UHFFFAOYSA-N	246.741	3.067	0	50	BGAA	
CC(C)c1cc(Br)cc2cn[nH]c12	80441514	WHZLVUPLAGPFMC-UHFFFAOYSA-N	239.116	3.449	0	50	BGAA	
Cc1ccc2c(c1)[C@@H](Nc1cnn(C)c1)[C@@H](C)C2	157341187	FIBCXDZBYPFGQV-NHYWBVRUSA-N	241.338	3.074	0	50	BGAA	
O=C(O)/C=C/c1ccc(Cl)c(F)c1Cl	263623174	FJKDXILTUBXFPL-DUXPYHPUSA-N	235.041	3.230	0	50	BGAA	
CC(C)(c1nc(C2CCC2)no1)c1nccs1	1615553288	WMAFHPDTNTZONV-UHFFFAOYSA-N	249.339	3.120	0	50	BGAA	
CC(C)(C)c1ccc2[nH]c(C=O)cc2c1	1857799721	WANSFBRCZLMNRH-UHFFFAOYSA-N	201.269	3.278	0	50	BGAA	
C=CC(=O)N(CCC)Cc1sccc1Cl	1875375629	GSEIOZJSDQYDBB-UHFFFAOYSA-N	243.759	3.326	0	50	BGAA	
Cn1c(-c2ccccc2)cn2c3ccccc3nc12	71331	IRWFBVGNNFTFET-UHFFFAOYSA-N	247.301	3.493	0	50	BGAA	
CCC[C@H](C)C(=O)N1CCCC[C@H]1CC	443934	GKWKSBISNZDDNJ-NWDGAFQWSA-N	211.349	3.214	0	50	BGAA	
CC(=O)c1cnc(Nc2cccc(C)c2)s1	1399051	UHBXFYFYZKERCX-UHFFFAOYSA-N	232.308	3.398	0	50	BGAA	
O[C@@H](c1ccc(F)cc1)c1cccc(F)c1	4254951	SBCIQJIBLBKOAW-ZDUSSCGKSA-N	220.218	3.047	0	50	BGAA	
CCOC(=O)Nc1ccnc2ccc(C)cc12	6709540	DIGGYPZAWCMBLJ-UHFFFAOYSA-N	230.267	3.112	0	50	BGAA	
Cc1c(C)c(Br)c(C)c(C)c1N	7023288	VENKISSLGWHCOE-UHFFFAOYSA-N	228.133	3.265	0	50	BGAA	in-vitro
CC(C)CNC(=S)Nc1cccc(Cl)c1	9207927	UBUBFZIQPTVHSD-UHFFFAOYSA-N	242.775	3.282	0	50	BGAA	
O=Cc1cc2ccc(Cl)cc2nc1Cl	11887986	JQJASWYVVSAOBN-UHFFFAOYSA-N	226.062	3.354	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)C1	16697197	REGWJCQNMMXFBM-CYBMUJFWSA-N	247.338	3.411	0	50	BGAA	in-vitro
C[C@@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	33647603	IELBAACIVCODPI-SECBINFHSA-N	239.746	3.299	0	50	BGAA	in-vivo
Fc1cc(Br)cc(Cl)c1F	65356416	NDUBECXVUHRWLM-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
Clc1cccc([C@@H]2CCNC2)c1Cl	71519559	KKGNZEVIDMVXEE-SSDOTTSWSA-N	216.111	3.070	0	50	BGAA	
C[C@@H]1CC(C)(C)N(C)c2cc(O)ccc21	148286667	QWDMTYHFGOQDRJ-SECBINFHSA-N	205.301	3.114	0	50	BGAA	
CC(C)c1ccc(N)c(C(=O)OC(C)(C)C)c1	1772772302	GCDCWQWCYBHVKT-UHFFFAOYSA-N	235.327	3.348	0	50	BGAA	
Cc1ccc2c(c1)c1c3c(nccn32)CCC1	131451	ZHTWYYQXWNZIMN-UHFFFAOYSA-N	222.291	3.285	0	50	BGAA	
O=C(Nc1ccc2ccccc2c1)c1cccnc1	241577	RFJYHXJNDAQWSR-UHFFFAOYSA-N	248.285	3.487	0	50	BGAA	
C[C@H]1CC2(CCCC2)[N+]([O-])=Cc2ccccc21	295257	XDNIMNHESODDHP-LBPRGKRZSA-N	229.323	3.436	0	50	BGAA	
CCOc1c(Cl)cc(C(=O)O)cc1Cl	336351	SXYGOCJUQOJEPU-UHFFFAOYSA-N	235.066	3.090	0	50	BGAA	
c1ccc([C@H]2COC3(CCCC3)O2)cc1	402196	WFYWECISNAABSO-GFCCVEGCSA-N	204.269	3.045	0	50	BGAA	
CSc1ccccc1NC(=O)c1ccncc1	1052413	LNHTZWDTPVEENH-UHFFFAOYSA-N	244.319	3.056	0	50	BGAA	
O=C(Cc1ccc(F)cc1)Nc1ccccc1	5268424	QEBPWZBNPRWWAP-UHFFFAOYSA-N	229.254	3.007	0	50	BGAA	
CCC(=O)c1ccc(Br)c(C)c1	49820617	GNIQKPLAEAAAPD-UHFFFAOYSA-N	227.101	3.350	0	50	BGAA	in-vitro
Oc1cccc(C(F)(F)F)c1Br	85471898	MMCHLKGIGWXAIF-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
CC(C)Oc1cc(N)cc(C(F)(F)F)c1	98213947	NQORTSLHZMPLNT-UHFFFAOYSA-N	219.206	3.075	0	50	BGAA	in-vitro
Cc1cc2nc(Cl)[nH]c2cc1Cl	116183472	HPHAJHDXIDEYPM-UHFFFAOYSA-N	201.056	3.178	0	50	BGAA	
CC(C)=CCC[C@H](C)NC[C@@H]1CCC[C@@H](O)C1	222112111	WZBZMNIANWFIPJ-RRFJBIMHSA-N	239.403	3.262	0	50	BGAA	
C1=C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5CC[C@@H]6[C@@H]1[C@H]2[C@H]([C@@H]43)[C@H]56	257356793	KGSHKEGGGVMYNT-XXZAWKEVSA-N	212.336	3.347	0	50	BGAA	
CO[C@@H]1CCCN(Cc2ccc(C)c(C)c2)CC1	378638093	QBWIDDHKRQVZBE-MRXNPFEDSA-N	247.382	3.304	0	50	BGAA	
Cc1ccc(-c2cc(F)ccc2F)cn1	675069364	FYJBVHKDSXKPPI-UHFFFAOYSA-N	205.207	3.335	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@H](C)C[C@H]1C	757215051	UJQHMVTYHUUJKB-XDMRBOTDSA-N	243.354	3.178	0	50	BGAA	
CC1=N[C@@H](CC(C)C)C(=O)Nc2cccc(C)c21	1615058722	VBGHIDVIAACTDP-ZDUSSCGKSA-N	244.338	3.171	0	50	BGAA	
Cc1cccc(Oc2ncccc2N)c1C	132733	PIQSAGQZHVNDSE-UHFFFAOYSA-N	214.268	3.073	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)n1cc(C=O)c2ccccc21	153445	GDYHUGFAKMUUQL-UHFFFAOYSA-N	245.278	3.237	0	50	BGAA	biogenic,in-vitro
CCC[N+]1=C(C)C(C)(C)c2ccccc21	5019437	SUHRLOMMYZFKSJ-UHFFFAOYSA-N	202.321	3.493	0	50	BGAA	
CC(C)COc1ccc(C(=O)NC(C)(C)C)cc1	6727773	OECASCFULYDIOQ-UHFFFAOYSA-N	249.354	3.250	0	50	BGAA	
Clc1ccc(NC[C@@H]2CCCN2)cc1Cl	12404719	VIDKCBAAQDVCQS-VIFPVBQESA-N	245.153	3.157	0	50	BGAA	
C[C@@]12CCCCC1=N[C@H](c1ccccc1)N2O	23114664	HOUYFKJROMXWKZ-UONOGXRCSA-N	230.311	3.164	0	50	BGAA	
BrC1=NO[C@@H](C2CCCCC2)C1	30678659	ZLKOMDURKIDQEB-MRVPVSSYSA-N	232.121	3.064	0	50	BGAA	in-vitro
Cc1nc2c(C)c(Cl)ccc2cc1C(=O)O	32099610	XXJOAECAXTVYHG-UHFFFAOYSA-N	235.670	3.203	0	50	BGAA	
COc1ccc(COc2ncccc2Cl)cc1	38537009	ZNCNZNLAHFBQDV-UHFFFAOYSA-N	249.697	3.323	0	50	BGAA	in-vitro
CCn1ncnc1-c1[nH]c2ccccc2c1Cl	91435099	CCJXFOHQVSPUSO-UHFFFAOYSA-N	246.701	3.100	0	50	BGAA	
CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccn1	180557306	ORTLFEIRUSAKMZ-UHFFFAOYSA-N	246.232	3.085	0	50	BGAA	
Cc1nn(C)cc1-c1ccccc1OCC(C)C	426442848	GXOVXNWTGNTOFF-UHFFFAOYSA-N	244.338	3.430	0	50	BGAA	
CC1(c2nc(-c3ccco3)nn2C(C)(C)C)CC1	584900692	UQOFPSQJOBTGIJ-UHFFFAOYSA-N	245.326	3.345	0	50	BGAA	
C=CC(=O)N[C@@H]1CC=C(c2ccc(F)cc2)CC1	1353214289	ANMCVNPTGBIXCQ-CQSZACIVSA-N	245.297	3.064	0	50	BGAA	
CC(C)(C)CC(=O)Nc1ccc(F)cc1	30640	DWGPXBYWJOBNHG-UHFFFAOYSA-N	209.264	3.200	0	50	BGAA	
Cc1cccc(NC(=O)c2ccccc2Cl)n1	37538	VMZCVVFAUFKTNF-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
Cc1ccc(OC(=O)c2ccco2)cc1C	129222	PYFUZBDKZVQFRK-UHFFFAOYSA-N	216.236	3.116	0	50	BGAA	
CSCC(=O)Nc1ccc(C(C)C)cc1	149896	VCHHEALJEODFLJ-UHFFFAOYSA-N	223.341	3.112	0	50	BGAA	
O=Cc1cnc(-c2ccc(Cl)cc2)s1	2563684	QJHQBOBUAOFVLH-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	in-vitro
O=C1C(Cl)(Cl)CCCC1(Cl)Cl	4582813	QCAHVKJGHYVLIS-UHFFFAOYSA-N	235.925	3.087	0	50	BGAA	
CC(C)(C)c1ccc(-c2cc(N)no2)cc1	12381749	QSRNFSBEFLDJKE-UHFFFAOYSA-N	216.284	3.221	0	50	BGAA	
CCc1nc2cc(Br)ccc2o1	16698782	FEFKLDDJMPFJHS-UHFFFAOYSA-N	226.073	3.153	0	50	BGAA	in-vitro
CC(C)=CCCc1ccc(C(=O)N(C)C)cc1	91474073	UHARDONEGHWSLM-UHFFFAOYSA-N	231.339	3.287	0	50	BGAA	
Cc1nc(SC2Cc3ccccc3C2)[nH]c1C	645030152	HXQIOHILOHDYHD-UHFFFAOYSA-N	244.363	3.286	0	50	BGAA	
Cc1c(CC(=O)O)sc2ccc(Cl)cc12	162030	QNJIHQOPIPJYLU-UHFFFAOYSA-N	240.711	3.490	0	50	BGAA	in-vitro
COc1ccc(NCc2cccc(OC)c2)cc1	279527	JHOAZSQOYDOMAU-UHFFFAOYSA-N	243.306	3.316	0	50	BGAA	
CCc1ccccc1NC(=O)NCC(C)C	397015	DXPIPGPKRAGSMY-UHFFFAOYSA-N	220.316	3.027	0	50	BGAA	
CC(C)c1ccccc1NC(=O)C1CC1	442464	IWZSKUGRSWKJOD-UHFFFAOYSA-N	203.285	3.159	0	50	BGAA	
COc1ccc(C(C)=O)cc1C(C)(C)C	9286904	FKTGMOQEGIONRC-UHFFFAOYSA-N	206.285	3.195	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)n1ccc2ccc(C=O)cc21	34330372	ZJOBUJIAVBTRMD-UHFFFAOYSA-N	245.278	3.237	0	50	BGAA	in-vitro
Nc1ccc(-c2cc(F)cc(F)c2)cc1	38068959	SNRIKEFXLUJEQK-UHFFFAOYSA-N	205.207	3.214	0	50	BGAA	in-vitro
Clc1noc2ccc(Br)cc12	40448810	NJAYXZTVKFOBCT-UHFFFAOYSA-N	232.464	3.244	0	50	BGAA	
CCOC(=O)C(F)(F)c1cccc(Cl)c1C	65337062	FGFPSZZQLDSXEK-UHFFFAOYSA-N	248.656	3.303	0	50	BGAA	in-vitro
CS[C@@H](C)Cc1[nH]cnc1-c1ccccc1	65407092	WXJOBUKEYYCZBT-JTQLQIEISA-N	232.352	3.371	0	50	BGAA	
COC(=O)c1cccc(-c2cc(C)cc(C)c2)n1	95495653	DPBZSEVBQICUCW-UHFFFAOYSA-N	241.290	3.152	0	50	BGAA	
O=C(CC(F)(F)F)c1c[nH]c2ccc(F)cc12	111683107	NRCMEPMUFFWVAQ-UHFFFAOYSA-N	245.175	3.442	0	50	BGAA	in-vitro
CSC(=N)c1cccc(Br)c1	118340278	UBZIUBQUIMIRNY-UHFFFAOYSA-N	230.130	3.137	0	50	BGAA	
C[C@H](CCCC(C)(C)O)N[C@H]1CCCC1(C)C	200565586	MJZSRRKJRUSAMW-OLZOCXBDSA-N	241.419	3.484	0	50	BGAA	
O=C([C@@H]1CC12CC2)N1CCCC2(CCCCC2)C1	335070233	SUFCCGUYACKDLX-ZDUSSCGKSA-N	247.382	3.359	0	50	BGAA	
CC(C)CCNC(=O)c1cccc(Cl)c1	30398	WGKDDSBRZJQOJL-UHFFFAOYSA-N	225.719	3.116	0	50	BGAA	
Cc1cc(C)nc(NCc2ccc(Cl)cc2)n1	150084	XSDCORYHTNXATQ-UHFFFAOYSA-N	247.729	3.359	0	50	BGAA	
O=C(c1ccc2c(c1)OCCO2)C1CCCCC1	225531	JNFPGNWMFOEUMQ-UHFFFAOYSA-N	246.306	3.221	0	50	BGAA	
CCc1cccc(C)c1NC(=O)c1cccnc1	271947	VKRGJCBOFMLDHI-UHFFFAOYSA-N	240.306	3.205	0	50	BGAA	
Cc1cccc(NC(=S)c2ccccn2)c1	301636	UWUXHAPDFSIUMX-UHFFFAOYSA-N	228.320	3.178	0	50	BGAA	
COc1ccc(-c2noc(-c3ccco3)n2)cc1	319841	SMYVXQYXVVJGSV-UHFFFAOYSA-N	242.234	3.005	0	50	BGAA	
CCCCc1ccc2nc(N)sc2c1	1805051	GFGBNISGCXRRGF-UHFFFAOYSA-N	206.314	3.221	0	50	BGAA	in-vitro
O=C([C@H]1C[C@H]1c1ccccc1)N1CCCCCC1	2495906	IARCCLBTJJIKAZ-GJZGRUSLSA-N	243.350	3.193	0	50	BGAA	
O=C(O)C[C@H](c1ccccc1)c1ccccc1F	34928858	VXCPNMWDGXASRW-CYBMUJFWSA-N	244.265	3.432	0	50	BGAA	in-vitro
CNCc1cc(F)ccc1OCc1ccccc1	37237032	OCTXNNRWRKOWTB-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	
CCOC(=O)[C@@H](C)CSc1ccc(C)cc1	49849807	YHRIUYLDFFNULX-NSHDSACASA-N	238.352	3.286	0	50	BGAA	
COC(=O)C(C)(C)c1ccc(C(C)(C)C)cc1	71863884	MFQRFTBOTSBMIO-UHFFFAOYSA-N	234.339	3.435	0	50	BGAA	
Fc1cc(Br)cc2ccoc12	84326636	KKVACMAATHFELM-UHFFFAOYSA-N	215.021	3.334	0	50	BGAA	in-vitro
C[C@@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2	105194538	HKLJAIPTHOKCPY-TUUVXOQKSA-N	229.367	3.396	0	50	BGAA	
O=Cc1ccc(Cl)c(OC(F)F)c1Cl	263624830	UODOCCBAXHISQT-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
Cc1cc(C)n(CCN(C)[C@H]2CCC(C)(C)C2)n1	361470222	OEVIFMYXXIOGQD-AWEZNQCLSA-N	249.402	3.010	0	50	BGAA	
O=C1CCc2cc(-c3cccc4[nH]ncc34)ccc21	644615078	HYKUBSKSRZVKGK-UHFFFAOYSA-N	248.285	3.359	0	50	BGAA	
O=Cc1sc(Br)cc1C(F)F	1857778503	RABKCYRSHTVYEM-UHFFFAOYSA-N	241.056	3.261	0	50	BGAA	
O=Cc1csc(C(F)(F)C(F)(F)F)c1	1857782198	UYJYBQKGDAKSDH-UHFFFAOYSA-N	230.157	3.215	0	50	BGAA	
COc1ccc2c(c1)[C@H](C)CC(C)(C)N2	106333	RGTTZMPTUIAPIG-SECBINFHSA-N	205.301	3.393	0	50	BGAA	
CCC(=O)Nc1c(CC)cccc1CC	145124	FARKHMDBAUUKLF-UHFFFAOYSA-N	205.301	3.160	0	50	BGAA	
Nc1ccc(Cl)cc1C(=O)c1ccccc1	155592	ZUWXHHBROGLWNH-UHFFFAOYSA-N	231.682	3.153	0	50	BGAA	in-vitro
Cc1ccc(NC(=S)c2ccncc2)cc1	310811	KFAKRAQXKUDTHX-UHFFFAOYSA-N	228.320	3.178	0	50	BGAA	
CC(C)CCNC(=O)Cc1ccc(Cl)cc1	456493	MOHHMVIFBDEBIY-UHFFFAOYSA-N	239.746	3.045	0	50	BGAA	
Cc1ccc2c(c1)[C@H](c1ccccc1)CC(=O)O2	522146	SUHIZPDCJOQZLN-ZDUSSCGKSA-N	238.286	3.436	0	50	BGAA	in-vitro
CC[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O	1692363	BCOVXKWQTYUMNW-QMMMGPOBSA-N	249.093	3.235	0	50	BGAA	
CC(=O)Cc1ccc(OCc2ccccc2)cc1	2583716	NNFOTEQKNPUXGR-UHFFFAOYSA-N	240.302	3.397	0	50	BGAA	
Cc1cc2nc(-c3ccco3)cc(C(F)F)n2n1	2784549	DFRPIAIRPHPMNL-UHFFFAOYSA-N	249.220	3.235	0	50	BGAA	
CCN(CCN(C)C)C[C@H](C)CCC=C(C)C	19634297	GBUIANVJABHCQL-OAHLLOKOSA-N	240.435	3.252	0	50	BGAA	
CC(C)Cn1ncc2[nH]c(CC(C)(C)C)nc21	48308311	BBDUAOZPSCIFMS-UHFFFAOYSA-N	234.347	3.004	0	50	BGAA	
Oc1ccc(-c2cccc(F)c2F)cc1F	65340833	STPKPWGELDDWIB-UHFFFAOYSA-N	224.181	3.477	0	50	BGAA	
Cc1c(Br)ccc2ncccc12	238506295	BQFFOKXBGUHZLJ-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
Cc1ccc2ncc(-c3ncccc3CN)cc2c1	426666959	HYUOCZUHJWSLET-UHFFFAOYSA-N	249.317	3.064	0	50	BGAA	
Cc1ccc(-c2noc(C(C)C)c2C(=O)O)o1	675057598	KJXMYXNQPXPMKH-UHFFFAOYSA-N	235.239	3.065	0	50	BGAA	
CCc1cnc(C)nc1N1CCC[C@@H](CC)CC1	1529094595	IERWMBXVRUBNML-CYBMUJFWSA-N	247.386	3.364	0	50	BGAA	
Cc1cccc(NC(=O)COc2ccccc2)c1	59856	OPCKYFWSSCWDOG-UHFFFAOYSA-N	241.290	3.013	0	50	BGAA	
N[C@@H](c1ccccc1)c1ccc(Cl)cc1	155169	XAFODXGEQUOEKN-ZDUSSCGKSA-N	217.699	3.388	0	50	BGAA	in-vitro
COc1cccc(/C=C/c2ccncc2)c1OC	194496	HEWDNEROQMJEKI-VOTSOKGWSA-N	241.290	3.269	0	50	BGAA	biogenic
Cc1ccc(CN2CCc3ccccc3C2)o1	277541	IKQNVEFSYPNWCA-UHFFFAOYSA-N	227.307	3.146	0	50	BGAA	
CC(=O)c1cccc(NC2=NCC(C)(C)S2)c1	528083	SGIYTENWGQPFQJ-UHFFFAOYSA-N	248.351	3.183	0	50	BGAA	
Nc1nc2c(Cl)cc(Cl)cc2s1	16968579	UZGRZSHGRZYCQV-UHFFFAOYSA-N	219.096	3.185	0	50	BGAA	
C/C(=C\c1c(Cl)cccc1Cl)C(=O)O	44220406	XRMKFXAALTTWIR-AATRIKPKSA-N	231.078	3.481	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)N1CCCc2c(O)cccc21	85210639	IQSVBPWPSPPZPM-UHFFFAOYSA-N	249.310	3.080	0	50	BGAA	
CN1CC[C@@H](c2ccc3ccccc3c2)C1	96026474	CDRNZYNVQDYGHI-OAHLLOKOSA-N	211.308	3.259	0	50	BGAA	
CCOC(=O)c1[nH]c(-c2ccccc2)cc1C	136291722	XWGPGCCMAZJHKD-UHFFFAOYSA-N	229.279	3.167	0	50	BGAA	
Cc1cnc2cc(Br)ccc2c1	144294506	CVFAZFPZYNGXHK-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
Cc1n[nH]cc1-c1cccc(Cl)c1F	725273111	ZBWGXFDVFJYSER-UHFFFAOYSA-N	210.639	3.178	0	50	BGAA	
c1nscc1-c1csc(C2CC2)n1	1615592283	WJOMNAVPTVGSCU-UHFFFAOYSA-N	208.311	3.144	0	50	BGAA	
O=CNc1ccccc1Oc1ccccc1	28148	VHUKJKINNIUBPM-UHFFFAOYSA-N	213.236	3.047	0	50	BGAA	
CC(C)OC(=O)c1ccccc1Br	162650	QTCRCHHNKWSPHB-UHFFFAOYSA-N	243.100	3.014	0	50	BGAA	
c1cncc(-c2nc3ccccc3s2)c1	235981	MUDNLVWBCWZIMA-UHFFFAOYSA-N	212.277	3.358	0	50	BGAA	in-vitro
CCN(CC)C(=O)Nc1cccc(Cl)c1	237250	FXODCODKNPOVAX-UHFFFAOYSA-N	226.707	3.214	0	50	BGAA	
Oc1nc2c(Cl)c(Cl)c(Cl)cc2o1	271036	OOXHZCGBJSGVTN-UHFFFAOYSA-N	238.457	3.494	0	50	BGAA	
O=C(CCc1ccccc1)c1ccccc1O	388042	JCPGMXJLFWGRMZ-UHFFFAOYSA-N	226.275	3.208	0	50	BGAA	biogenic,in-vitro
Cc1c(C)c(N(C)C)c(C)c(C)c1N(C)C	406385	VUPCNYZESCJTRQ-UHFFFAOYSA-N	220.360	3.052	0	50	BGAA	
O=C(Nc1ccccc1)Nc1cccc(O)c1	408640	YYUJEEGDLCZLSE-UHFFFAOYSA-N	228.251	3.036	0	50	BGAA	in-vitro
O=C(c1ccccn1)[C@H]1C[C@@H]1c1ccccc1	1382882	XCYVNFLTONVXSP-OLZOCXBDSA-N	223.275	3.068	0	50	BGAA	
CCOC(/C=C/c1ccccc1)OCC	1684785	VYKDEWVAUWARRX-ZHACJKMWSA-N	206.285	3.099	0	50	BGAA	in-vitro
CCCOC(=O)Nc1cc(C)cc(C)c1	2172185	AEDXANDJSDDVQK-UHFFFAOYSA-N	207.273	3.262	0	50	BGAA	
O=C(O)Cc1ccccc1Oc1ccccc1	2571872	CWWCQGGNKDBSNT-UHFFFAOYSA-N	228.247	3.106	0	50	BGAA	in-vitro
COC(=O)c1ccc(Oc2ccc(F)cc2)cc1	20391099	UUYOTOWEYHRUOX-UHFFFAOYSA-N	246.237	3.405	0	50	BGAA	
COc1ccc(Br)c(Cl)c1F	91301300	GYJRNBQNNRONGS-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
CCCN1CCCC[C@H]1Cc1ccccc1	96026984	ZNFUQCFPEKQPHG-HNNXBMFYSA-N	217.356	3.494	0	50	BGAA	
O=C(Cc1cccc(F)c1Cl)c1ccco1	167133655	YAHSPLBIHNDGTF-UHFFFAOYSA-N	238.645	3.498	0	50	BGAA	
CCCN1C[C@H](C)[C@@](O)(c2ccccc2)C[C@H]1C	248001911	NZBMCFAPUPWLPQ-SQWLQELKSA-N	247.382	3.015	0	50	BGAA	
Fc1cccc(-c2noc(C3CCC3)n2)c1F	725273571	LVHCGSNAEMGGOF-UHFFFAOYSA-N	236.221	3.282	0	50	BGAA	
CN(Cc1ccccc1)C(=O)Nc1ccccc1	47635	ICSPQKHHLAUYRG-UHFFFAOYSA-N	240.306	3.351	0	50	BGAA	
C[C@H](CCc1ccc(O)cc1)NC1CCCC1	227109	NKGQCZVMMMZKLK-GFCCVEGCSA-N	233.355	3.246	0	50	BGAA	
CCC(C)(C)NC(=O)c1ccc(C)c(C)c1	620586	ZQJMYIQWFABWAM-UHFFFAOYSA-N	219.328	3.222	0	50	BGAA	
FC(F)(F)c1ccc(CC2CCNCC2)cc1	2513153	DOUKFDZHIACTLD-UHFFFAOYSA-N	243.272	3.248	0	50	BGAA	
Cc1ccc(-c2cn3ccccc3n2)cc1	4008540	YKEDVZKOLMCTAQ-UHFFFAOYSA-N	208.264	3.310	0	50	BGAA	biogenic,in-vitro
CC(=O)c1sc(-c2ccccc2F)nc1C	4842404	MHEWBMAPHQDNDQ-UHFFFAOYSA-N	235.283	3.460	0	50	BGAA	
c1ccc(-c2ccc(CNC3CC3)o2)cc1	4843134	FGJMTONQNQMPHI-UHFFFAOYSA-N	213.280	3.199	0	50	BGAA	
CCOc1cccc(CNC2CCCC2)c1	6702744	IGMVURAIRBXKTL-UHFFFAOYSA-N	219.328	3.118	0	50	BGAA	
O=C(CC1CCCC1)N1CCc2ccccc2C1	12976588	UFEAIHYGSGFYRV-UHFFFAOYSA-N	243.350	3.152	0	50	BGAA	
O=Cc1cc(F)c(OCc2ccccc2)c(F)c1	34725180	QKRBYGWUSGMSLG-UHFFFAOYSA-N	248.228	3.356	0	50	BGAA	in-vitro
COc1cccc2c1ccn2C(=O)OC(C)(C)C	40442654	DNCPOYDMSDZLSB-UHFFFAOYSA-N	247.294	3.433	0	50	BGAA	in-vitro
Fc1cc(Br)cc(N2CCCC2)c1	40456589	KYLDQIFHZFNDFI-UHFFFAOYSA-N	244.107	3.188	0	50	BGAA	in-vitro
Cc1nc(C)c(-c2cccc(C(=O)O)c2)s1	67490377	JLUWLXYLYINPTO-UHFFFAOYSA-N	233.292	3.125	0	50	BGAA	
Fc1cccc(-c2noc(C3CCC3)n2)c1	109606451	RYYQYADABNCMKH-UHFFFAOYSA-N	218.231	3.143	0	50	BGAA	
Clc1ccnc(Br)c1Cl	148718679	FYLWOYZFLSMHMR-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1CCC[C@H](C)N1	757209856	GNTMOMKYUKRPKQ-GWCFXTLKSA-N	229.327	3.074	0	50	BGAA	
O=C(CCC1CCCC1)NCc1cccs1	376610	NXXVUMKPYGWIBI-UHFFFAOYSA-N	237.368	3.335	0	50	BGAA	
CCC(C)(C)C(=O)Nc1ccccc1OC	2743557	PMDWGOQCSYQOGI-UHFFFAOYSA-N	221.300	3.070	0	50	BGAA	
CN(C)CCCOc1ccc2ccccc2c1	2824188	FWOASNXNHKEEEW-UHFFFAOYSA-N	229.323	3.170	0	50	BGAA	
C[C@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	4159387	OOWLVAALHKQYIB-AQPKCQGTSA-N	207.361	3.330	0	50	BGAA	
COc1ccc2ccccc2c1CNC1CC1	4843285	CLUUPCSHAXTFRH-UHFFFAOYSA-N	227.307	3.100	0	50	BGAA	
Oc1cccc2cc(Br)ccc12	13543054	FSUYQOYAPVYVHS-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
CC(C)COc1cccc(Br)c1	19806506	QTAHPJXZROQDCU-UHFFFAOYSA-N	229.117	3.484	0	50	BGAA	
Clc1ccc(NCc2nc(C3CC3)no2)cc1	20135028	VGVHRHDOVBZXDR-UHFFFAOYSA-N	249.701	3.213	0	50	BGAA	
CN(Cc1ccc(Cl)cc1)C(=O)c1ccco1	20494377	KYQHFCSKPKZRLM-UHFFFAOYSA-N	249.697	3.205	0	50	BGAA	
CC(C)c1cccc(I)c1	57375403	ABEHQMOOXFPCPF-UHFFFAOYSA-N	246.091	3.415	0	50	BGAA	in-vitro
COc1ccc2sc(-c3ccncc3)nc2c1	71773942	XYQOYIDWMBIXCX-UHFFFAOYSA-N	242.303	3.367	0	50	BGAA	
C[C@@H]1SCc2c(Cl)nc(Cl)nc21	223469497	CELWEVMHFJQSAE-VKHMYHEASA-N	221.112	3.091	0	50	BGAA	
CC[C@H]1CCN(CCc2ccc(F)c(F)c2)C1	489865064	WSMGZGBAVXDDGV-NSHDSACASA-N	239.309	3.239	0	50	BGAA	
CCOc1ccc(NC(=O)c2ccccc2)cc1	102724	LOKFUBTWUGZRLA-UHFFFAOYSA-N	241.290	3.338	0	50	BGAA	
CCCc1noc(-c2ccccc2Cl)n1	435409	DDAQDJRWEZDDBS-UHFFFAOYSA-N	222.675	3.343	0	50	BGAA	
O=C(O)c1ccc(C(Cl)(Cl)Cl)cc1	1728705	PGGOYACMHDPZQV-UHFFFAOYSA-N	239.485	3.212	0	50	BGAA	
O=C1Nc2ccccc2/C1=C/C=C/c1ccco1	3656746	ZNKMPOJVPAURIK-AHESBMIYSA-N	237.258	3.329	0	50	BGAA	
O=c1c2c([nH]c3ccc(Cl)cc13)CCCCC2	5425424	GKWWPFSAIOSLSR-UHFFFAOYSA-N	247.725	3.450	0	50	BGAA	
C[C@@H](NC(=O)Nc1ccccc1F)C(C)(C)C	6725449	SVUHZWYPDDLCQF-SECBINFHSA-N	238.306	3.382	0	50	BGAA	
Cc1nc2c(c(Nc3ccc(F)cc3)n1)CCC2	12016511	HLGOSFJNAANWBR-UHFFFAOYSA-N	243.285	3.156	0	50	BGAA	
Cc1cc(N)c2c(Cl)ccc(Cl)c2n1	32099242	LYJNAWSOSQSLIL-UHFFFAOYSA-N	227.094	3.432	0	50	BGAA	in-vitro
CC(C)(C)c1cc(N)cc(Br)c1	36532893	KRYLAKKBPWAQDT-UHFFFAOYSA-N	228.133	3.329	0	50	BGAA	
CC1=[N+](c2ccccc2C)C(S)=NC(C)(C)[CH-]1	56634932	XFYAMZGXNIYVLI-UHFFFAOYSA-N	246.379	3.382	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2ccc[nH]c2=O)cc1	96149962	IYCVNSQTDBGKFH-LLVKDONJSA-N	243.306	3.139	0	50	BGAA	
Cc1cc(S)cc(Br)c1	143524975	XZGYOKASLRFTQX-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
O=Cc1cc(Cl)cc(Br)c1F	145116410	WYDFJQCDJMWXQR-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	in-vitro
CC(C)[C@H]1CC[C@]2(C)[C@H]3CC=C(CO)[C@@H]2[C@H]31	299817584	JIXPRNKLOIEGFI-GZBLMMOJSA-N	220.356	3.243	0	50	BGAA	biogenic
C[C@H](Oc1ccccc1)c1cnc2ccccn12	1225195711	SOWYEXIRJJXFQM-LBPRGKRZSA-N	238.290	3.474	0	50	BGAA	
Cc1cc(O)n(-c2cc(Cl)cc(Cl)c2)n1	1245924323	CMIWYDAQHIXTFP-UHFFFAOYSA-N	243.093	3.193	0	50	BGAA	
Fc1cc2c(cc1-c1ccsc1)OCCN2	2325776966	RQIKCFZWZOMCJD-UHFFFAOYSA-N	235.283	3.359	0	50	BGAA	
Cc1cccc(NC(=O)Cc2ccccc2)c1C	29270	IYKWNHCSSUQNHC-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
O=C1Nc2ccc(Cl)c3cccc1c23	405521	TXNIKIHGOHARLQ-UHFFFAOYSA-N	203.628	3.059	0	50	BGAA	
O=C(O)c1cccc(Oc2ccc(F)cc2)c1	2513121	JEZVFQIMFSGLFL-UHFFFAOYSA-N	232.210	3.316	0	50	BGAA	in-vitro
CC[C@H](C)N(C(=O)c1ccco1)[C@@H](C)CC	2772384	OQKUNEVEBXTPQE-QWRGUYRKSA-N	223.316	3.319	0	50	BGAA	
Nc1ccccc1OCCCc1ccccc1	8723046	GDYFGACDOWQOSZ-UHFFFAOYSA-N	227.307	3.280	0	50	BGAA	in-vitro
CC(C)(C)n1c[n+](C(C)(C)C)c2ccccc21	44583780	JKGSEHLUSOGKOO-UHFFFAOYSA-N	231.363	3.439	0	50	BGAA	
O=C1[C@H]2CC=CC[C@@H]2C[C@H]2CC=CC[C@@H]12	100819574	XARBVALIHBDTBL-LPWJVIDDSA-N	202.297	3.124	0	50	BGAA	
Cc1ccc(NC[C@H]2CC=CCC2)nc1	121607744	OQGCDBGPVVAQAN-LBPRGKRZSA-N	202.301	3.158	0	50	BGAA	
c1ccc2c(c1)CC[C@@H]2CSc1nncs1	241466040	NUBRHICTLLKTDO-SNVBAGLBSA-N	248.376	3.360	0	50	BGAA	
Oc1ccc(Cl)c(Cl)c1OC(F)F	263624981	VTLOALWKWNZURF-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
Cc1n[nH]cc1-c1cscc1Br	725272402	PYPNLGLCQMHHFB-UHFFFAOYSA-N	243.129	3.209	0	50	BGAA	
CC(C)CCCOC(=O)/C=C/c1cccc(O)c1	758505018	JYJVMZUTWSSWLJ-CMDGGOBGSA-N	248.322	3.385	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(Cl)cn1	30492	MTIWLQRIJYZNBV-QMMMGPOBSA-N	226.707	3.110	0	50	BGAA	
Cc1cc(-c2ccco2)n(-c2ccccc2)n1	97800	NJIDXZDMTBYMNS-UHFFFAOYSA-N	224.263	3.441	0	50	BGAA	
C[C@@H](CCc1ccccc1)NCc1ccco1	221129	KLUGZGBLGYALPG-ZDUSSCGKSA-N	229.323	3.391	0	50	BGAA	
Nc1nc2cc(Cl)c(Cl)cc2s1	404080	GHKHTBMTSUEBJD-UHFFFAOYSA-N	219.096	3.185	0	50	BGAA	in-vitro
O[C@H](Cc1nc2ccccc2o1)c1ccccc1	539779	CJWGWSJTRIXJTQ-CYBMUJFWSA-N	239.274	3.104	0	50	BGAA	
Cc1cccc(-c2cc(N)n(-c3ccccc3)n2)c1	2532543	YQKMTPVPJUJCIQ-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
COc1ccc(CCN[C@H]2CCC[C@H](C)C2)cc1	4989417	SBEGRBHIEYEKSK-ZFWWWQNUSA-N	247.382	3.406	0	50	BGAA	
Cc1cc(C)c([C@H](C)CC(=O)O)cc1C	5378868	BPFRLJBHYOBGRO-LLVKDONJSA-N	206.285	3.190	0	50	BGAA	
O=C(O)C1(c2c(F)cccc2Cl)CCCC1	5426428	XFWCGCJZUQAJGP-UHFFFAOYSA-N	242.677	3.376	0	50	BGAA	in-vitro
CCC(CC)NC(=O)Nc1ccc(C)cc1	6727106	FQIGMUBKDWIDMR-UHFFFAOYSA-N	220.316	3.305	0	50	BGAA	
O=Cc1cc2cc(Cl)ccc2nc1Cl	11850780	WZUNMOMEOMPYKZ-UHFFFAOYSA-N	226.062	3.354	0	50	BGAA	in-vitro
Brc1cccc(CN2CCCC2)c1	14193484	LSOHXSNZFGGNPZ-UHFFFAOYSA-N	240.144	3.045	0	50	BGAA	in-vitro
C1CCCC(NN2CCCCC2)CCC1	19169894	OFFONFVWPZUJCM-UHFFFAOYSA-N	210.365	3.090	0	50	BGAA	
O=Cc1cc(F)ccc1OCc1ccccc1	34416611	DGBMOFXIJPHQAW-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
Cc1ccc(Oc2ccc(N)cc2C)cn1	34546321	GBMQBBQKWXOOJZ-UHFFFAOYSA-N	214.268	3.073	0	50	BGAA	in-vitro
O=C(O)c1cccc(Nc2ccccc2)c1	39316388	RCHSJRJPIWLNPN-UHFFFAOYSA-N	213.236	3.128	0	50	BGAA	in-vitro
CC(C)=CCN1CCC(c2ccncc2)CC1	72476405	SKYSIPJUWAPNKL-UHFFFAOYSA-N	230.355	3.227	0	50	BGAA	
Cc1cccc(C2CC(NCCCF)C2)c1	134878593	ALOKDIQDTCPPAL-UHFFFAOYSA-N	221.319	3.190	0	50	BGAA	
CCCOc1cc(N)c(Cl)cc1Cl	138100815	FIUDAEISGGHCLE-UHFFFAOYSA-N	220.099	3.364	0	50	BGAA	
Cc1nc(-c2ccc(F)cc2F)ccc1C(=O)O	160972660	GPPHXMZNKZZETE-UHFFFAOYSA-N	249.216	3.033	0	50	BGAA	
C[Si](C)(C)C1([C@@H](O)C=C2CCC2)CC1	169829573	DLQZVESKBKWMEO-NSHDSACASA-N	210.393	3.330	0	50	BGAA	
COc1ccc(NC(=O)N2CCC[C@@H]2C)c(C)c1	175979650	KLGOAUQZDYGNAN-NSHDSACASA-N	248.326	3.020	0	50	BGAA	
COc1ccc(OC)c2c1[C@H]1C=C[C@H]2[C@@H]2C=C[C@@H]12	230111037	FUSGIAVRWSPRGL-WYUUTHIRSA-N	240.302	3.257	0	50	BGAA	
CC(C)Oc1cc(O)cc(OC(F)(F)F)c1	261494491	YVXLBSIJXAYZEU-UHFFFAOYSA-N	236.189	3.078	0	50	BGAA	
Cc1cc(NC(=O)[C@@]23CCCC[C@@H]2C3)cnc1C	893809873	VBXWOYQHKSHHPV-IUODEOHRSA-N	244.338	3.217	0	50	BGAA	
Cc1nn(C)cc1-c1ccc(C(F)(F)F)s1	1875283322	NSYYEHCTOARVRG-UHFFFAOYSA-N	246.257	3.476	0	50	BGAA	
O=C(Cc1ccc(F)cc1)NC1CCCCCC1	318559	OMKXVLCYWAFEIE-UHFFFAOYSA-N	249.329	3.207	0	50	BGAA	
CC[C@@H](C)Cn1c([C@H](C)O)nc2ccccc21	352658	IEHLYXZIMXYSLV-MNOVXSKESA-N	232.327	3.136	0	50	BGAA	
COc1ccc(OC)c2c(C)cc(Cl)nc12	1077826	SVTDGXZOUFALGO-UHFFFAOYSA-N	237.686	3.214	0	50	BGAA	in-vitro
CCCCNC(=O)Nc1cccc(C)c1C	1640147	MZFKNYASQQBIFE-UHFFFAOYSA-N	220.316	3.225	0	50	BGAA	
CC[C@H](CN1CCC(OC)CC1)c1ccccc1	20203745	FMFNOGVHKVXJCW-CQSZACIVSA-N	247.382	3.291	0	50	BGAA	
Cc1cc(C)c(CN[C@@H](C)C(C)C)c(C)c1CO	32590298	XSMWVYAGSXZNGQ-AWEZNQCLSA-N	249.398	3.238	0	50	BGAA	
CCc1nc(N2CCCC2)c2cc(C)sc2n1	41090690	JEFAEYQUBLOOJN-UHFFFAOYSA-N	247.367	3.162	0	50	BGAA	
Cc1ccc(Br)c(F)c1F	64220193	DGQOAPHVNRUBOU-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
O=Cc1ccc(-c2cc(F)ccc2C(=O)O)cc1	65349744	LRJCCNAFOLTMCZ-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
Fc1ccc(F)c(Br)c1Cl	66318935	WDSQBLDNVHUJRA-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	
CC(C)Oc1cccc(F)c1-c1ccc(N)cn1	96138544	YBDIVIDTGBIISH-UHFFFAOYSA-N	246.285	3.257	0	50	BGAA	
CNCc1ccc(C(F)(F)F)c(Cl)c1	148889418	ASEYPIQRFIBRQS-UHFFFAOYSA-N	223.625	3.078	0	50	BGAA	
C[C@](CO)(Cc1ccccc1)[Si](C)(C)C	169831374	XYDXOTOHYXQLFH-CYBMUJFWSA-N	222.404	3.320	0	50	BGAA	
CCN[C@H](C)Cc1cccc(C(F)(F)F)c1	1612	DBGIVFWFUFKIQN-SECBINFHSA-N	231.261	3.246	0	50	BGAA	biogenic,world
c1ccc(CCc2c[nH]c3ccccc23)nc1	94263	QZDNFPFFBXHYNR-UHFFFAOYSA-N	222.291	3.348	0	50	BGAA	
Cc1cc(C)cc(NC(=O)Cc2ccccc2)c1	101323	AIXASOFPVBZMEN-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
C[C@H](NC(=O)NC1CCCCC1)C(C)(C)C	388981	OLPJSBFBGOXCEH-JTQLQIEISA-N	226.364	3.053	0	50	BGAA	
Cc1ccc(NC(=O)NCC(C)C)c(C)c1	396920	AIXLDOMVKJSPMN-UHFFFAOYSA-N	220.316	3.081	0	50	BGAA	
CN(Cc1ccco1)C(=O)Nc1ccccc1F	399218	BLSSXJUIVFAIBS-UHFFFAOYSA-N	248.257	3.083	0	50	BGAA	
Oc1ccc2cccc(-n3cccc3)c2c1	1427767	FVQOFVWSAUJKCY-UHFFFAOYSA-N	209.248	3.336	0	50	BGAA	
O=C(Nc1cc(Cl)cc(Cl)c1)C1CC1	2550636	SDBRWHGEVYHYRG-UHFFFAOYSA-N	230.094	3.342	0	50	BGAA	
O=Cc1cc(-c2ccc(F)cc2)cs1	4541759	TYJMKLCAPMSIMH-UHFFFAOYSA-N	206.241	3.367	0	50	BGAA	
CC(C)=CCC[C@H](C)CCN1CCOCC1	23280815	GTJUGVNNIFPTRJ-AWEZNQCLSA-N	225.376	3.091	0	50	BGAA	
FC1CN(C(c2ccccc2)c2ccccc2)C1	31829392	ZYKWABRWFBVPIJ-UHFFFAOYSA-N	241.309	3.430	0	50	BGAA	
Fc1cc(F)c(S)c(Br)c1F	36533075	OTGHWSXBRMOMMW-UHFFFAOYSA-N	243.047	3.155	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(N)cc1Cl	57534071	ZTEZNBVRPGNNBY-UHFFFAOYSA-N	242.706	3.269	0	50	BGAA	
CCNc1ccnc(-c2cccc3[nH]ccc23)n1	67975104	ROEJKQOKLRIVCC-UHFFFAOYSA-N	238.294	3.057	0	50	BGAA	
CSc1ccccc1-c1cc(C=O)c[nH]1	115730312	JDDSIGXNGCMHMU-UHFFFAOYSA-N	217.293	3.216	0	50	BGAA	
C[C@@H]([C@@H](C(=O)O)c1ccccc1)C(F)(F)F	117566071	NAADEMIOIIBNMB-IONNQARKSA-N	232.201	3.053	0	50	BGAA	
Oc1ccc(OC(F)F)c(Cl)c1Cl	263624242	OOKPOUGGAPPTKI-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
O=C(c1ccccc1)c1ccc(O)c(Cl)c1	389950	FUUHDAKJQKNBEF-UHFFFAOYSA-N	232.666	3.277	0	50	BGAA	
CC(C)(C)c1ccc(SCC(=O)O)cc1	392582	RVMFURNUVGUONB-UHFFFAOYSA-N	224.325	3.161	0	50	BGAA	in-vitro
FC(F)(F)c1ccccc1Br	2040685	RWXUNIMBRXGNEP-UHFFFAOYSA-N	225.007	3.468	0	50	BGAA	in-vitro
O[C@H]1C[C@@H](c2ccccc2)OC12CCCCC2	4006075	IUFAYZPJUHEQNQ-KBPBESRZSA-N	232.323	3.212	0	50	BGAA	
Cc1cc(C)cc(NC(=O)c2ccc(N)cc2)c1	7468079	KQPMRVMQDULJHW-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
O=Cc1ccc(Cl)c(OC(F)(F)F)c1	12359173	XOHOCMBXDFQWDF-UHFFFAOYSA-N	224.565	3.051	0	50	BGAA	in-vitro
Clc1ccc(OCCCn2ccnc2)cc1	16662291	SKSDKBJVBWKTMH-UHFFFAOYSA-N	236.702	3.006	0	50	BGAA	
CCC1=N[C@@H](c2ccc(OC)cc2)N(O)C1(C)C	19607425	YNEUIPVIYCOYII-CYBMUJFWSA-N	248.326	3.028	0	50	BGAA	
Cc1cc(F)ccc1-c1ccc(C(=O)O)cc1	38068187	OFOKUKWYWDEYOG-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
C[C@@H](Cc1ccccn1)N(C)Cc1ccsc1	65526053	NFTBOLYZXHWDDH-LBPRGKRZSA-N	246.379	3.206	0	50	BGAA	
NCc1cccc(/C=C/c2ccccc2)c1	67756086	BLHHECBCUDFCMC-MDZDMXLPSA-N	209.292	3.316	0	50	BGAA	
C/C(F)=C(/Br)C(F)(F)F	71790172	DKOFAKWMUSOSRL-IHWYPQMZSA-N	206.964	3.145	0	50	BGAA	in-vitro
CCOC(=O)c1ccc2c(Cl)ccnc2c1	82046546	JWANQGUWFXQBGZ-UHFFFAOYSA-N	235.670	3.065	0	50	BGAA	
COc1ccc(-c2ccc(SC)cc2)cn1	85477323	FKLIYXCNPSCFFP-UHFFFAOYSA-N	231.320	3.479	0	50	BGAA	in-vitro
Cc1cccc(CCCNC(=O)[C@H]2CC2(C)C)c1	952979036	UOISWARPDGXHLR-CQSZACIVSA-N	245.366	3.090	0	50	BGAA	
Nc1c(-c2ccccc2)n[nH]c1-c1ccccc1	133954	FZKZJOKUFYGTKL-UHFFFAOYSA-N	235.290	3.326	0	50	BGAA	
Cc1cc(C)c(S(=O)(=O)C(C)(C)C)c(C)c1	188174	CWCKYCWUAWQPGW-UHFFFAOYSA-N	240.368	3.184	0	50	BGAA	
CCC[C@@H](O)c1ccc(Br)cc1	394548	DQQQQAUVVHNVPH-SNVBAGLBSA-N	229.117	3.283	0	50	BGAA	in-vitro
COC(=O)Nc1cccc(Cl)c1Cl	396544	VGWCYRNUEOCZDU-UHFFFAOYSA-N	220.055	3.172	0	50	BGAA	
CCOc1ccc(C(=O)NC(C)(C)CC)cc1	620756	SYIVNYNCLCVNCH-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
C[C@H]1CCc2c(nc3ccccc3c2C(=O)O)C1	20038195	WNVOXWZXFSHLNZ-VIFPVBQESA-N	241.290	3.058	0	50	BGAA	
CCCOc1ccc(CNC2CC2)cc1Cl	20925613	KTYVISBXWBANDM-UHFFFAOYSA-N	239.746	3.381	0	50	BGAA	
CCCn1cc(N[C@H](C)CC(F)(F)F)cn1	131500816	YNEQFCBQWZQBOT-MRVPVSSYSA-N	235.253	3.046	0	50	BGAA	
O=C(C1CC=CC1)N1CCC[C@@]2(CC=CCC2)C1	151983968	SMJJVFMHSPRIDL-INIZCTEOSA-N	245.366	3.302	0	50	BGAA	
Cc1cc([C@@H]2C[C@@H]3CC[C@H](C2)N3)ccc1F	390084496	FPGKMEUOABRZLX-CLLJXQQHSA-N	219.303	3.132	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)N1CC=CCC1	187021	JIEFLMYTOPJVES-UHFFFAOYSA-N	236.702	3.134	0	50	BGAA	
CCC(C)(C)NC(=O)Cc1ccc(Cl)cc1	620468	YAMXPHKFXRXZKO-UHFFFAOYSA-N	239.746	3.187	0	50	BGAA	
OCCSc1cc(Cl)cc(Cl)c1	2511121	UVVZHCXFLPWEMD-UHFFFAOYSA-N	223.124	3.078	0	50	BGAA	
O[C@H](c1ccccc1)c1cc(F)cc(F)c1	4254957	MZBBRGLZQRMJPL-CYBMUJFWSA-N	220.218	3.047	0	50	BGAA	
O=S=Nc1cc(Cl)cc(Cl)c1	6091341	YNMUHDOFEDDFAW-UHFFFAOYSA-N	208.069	3.022	0	50	BGAA	
Cc1ccc(NC(=O)c2cccc(N)c2)c(C)c1	7468637	KUOKLERLHHRXPU-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
Cc1scc(C(=O)Nc2ccncc2)c1C	16604817	BCZZKFMXMVJQDZ-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
COc1ccc(-c2ccc(O)cc2)c(OC)c1	37593943	KXRVKFFOMMMQQH-UHFFFAOYSA-N	230.263	3.076	0	50	BGAA	
CC(C)Cc1ccc(CNC(C)C)cc1	57493557	XRESZHNGHXRXMR-UHFFFAOYSA-N	205.345	3.383	0	50	BGAA	
COc1ccc2c(c1)NC(C)(C)C[C@@H]2C	82379363	JOQIPMNHEXDDIH-VIFPVBQESA-N	205.301	3.393	0	50	BGAA	
Cc1cc(C(F)(F)F)ncc1Br	85223674	MIJYRALTRQVVAF-UHFFFAOYSA-N	240.022	3.171	0	50	BGAA	in-vitro
C[C@H]1CCN1c1ccc(Br)cc1	133267044	YJTXIFXPZDHPIK-QMMMGPOBSA-N	226.117	3.048	0	50	BGAA	
Cc1cccc2c(C=O)cn(C(C)C)c12	140790998	SVHPZEXOPVZDIH-UHFFFAOYSA-N	201.269	3.343	0	50	BGAA	
CC/C=C(\C)C(=O)Nc1ccc2[nH]c(C)nc2c1	222173089	SHQLOWCAAPHXSV-WEVVVXLNSA-N	243.310	3.166	0	50	BGAA	
CC1=CC(C)(C)Nc2c(C(=O)O)cc(F)cc21	253495738	PCVUJGKJMZOJJL-UHFFFAOYSA-N	235.258	3.131	0	50	BGAA	
COc1ccc(CNc2cc(C)ccn2)cc1	8301742	UTYBDUHJLJWKLF-UHFFFAOYSA-N	228.295	3.011	0	50	BGAA	
CCc1ccc2c(c1)[C@H](c1ccccc1)C(=O)O2	18254313	HCGGBUNCZYKQKP-HNNXBMFYSA-N	238.286	3.300	0	50	BGAA	
CCCCCCOc1cc(C)ccc1CN	51580877	MEHXJAQIRHGYIS-UHFFFAOYSA-N	221.344	3.413	0	50	BGAA	in-vitro
O=C(O)c1cc(C2CC2)ccc1Br	149469529	QQBCUPLVPTUHDU-UHFFFAOYSA-N	241.084	3.025	0	50	BGAA	
Clc1ccc(CNC(C2CC2)C2CC2)cn1	170646236	WBIWTODZYJAFHD-UHFFFAOYSA-N	236.746	3.013	0	50	BGAA	
O[C@@]12C[C@H]3C[C@@H](C1)[C@H](Nc1ccccc1)[C@H](C3)C2	239174351	PVPAWNFWGQRKMU-VBKMGXBPSA-N	243.350	3.038	0	50	BGAA	
CN(C[C@H]1C[C@H]2C=C[C@H]1C2)C[C@H]1C[C@H]2C=C[C@H]1C2	253370714	VBZHRQZCYHVLQG-NQLMQOPMSA-N	243.394	3.343	0	50	BGAA	
O=C(O)C1(c2cccc(F)c2)CCCCC1	155786	RIQOIHJORXEGFT-UHFFFAOYSA-N	222.259	3.112	0	50	BGAA	in-vitro
O=C(O)CCc1ccccc1Oc1ccccc1	170422	DQZITUPTGXSTQM-UHFFFAOYSA-N	242.274	3.496	0	50	BGAA	
Cc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1	272336	MWGTWZBYNFUISA-CHWSQXEVSA-N	231.339	3.113	0	50	BGAA	
O=C(Nc1ccc(F)cc1)C1CCCCC1	361742	RQMDSCPCNJHYJL-UHFFFAOYSA-N	221.275	3.345	0	50	BGAA	
C[C@@H](NC(=O)NC1CCCCC1)c1ccccc1	369588	LAWBJZZKFIEJKK-GFCCVEGCSA-N	246.354	3.380	0	50	BGAA	
Cc1ccc(-n2sc3ccccc3c2=O)cc1	529002	KRXMYBAZKJBJAB-UHFFFAOYSA-N	241.315	3.361	0	50	BGAA	in-vitro
FC(F)(F)c1ccccc1[C@@H]1CCCN1	2583833	DRQIUNNVQDIWJF-JTQLQIEISA-N	215.218	3.130	0	50	BGAA	in-vitro
CC[C@H](C)NC(=O)c1ccc(C(F)(F)F)cc1	5337357	KQHCDTFHFMDYLW-QMMMGPOBSA-N	245.244	3.234	0	50	BGAA	
COC(=O)c1cccc(-c2ccccc2)c1	5526453	BYSRVCQMGFTUBK-UHFFFAOYSA-N	212.248	3.140	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)C2CCC2)cc1C	6699308	JQZOVBFWXZLAAC-LBPRGKRZSA-N	231.339	3.281	0	50	BGAA	
Nc1noc2cc(-c3ccccc3)ccc12	33978766	IIDSHOVHFQFLOR-UHFFFAOYSA-N	210.236	3.077	0	50	BGAA	
CC(C)(C)OC(=O)c1ccc(Cl)cc1O	35287624	MAHLRJXOEDHGSJ-UHFFFAOYSA-N	228.675	3.001	0	50	BGAA	in-vitro
O=C(Nc1ccccc1)O[C@@H]1C=C[C@@H]2CC[C@@H]21	71785314	JGCSJDCNFISWCT-WCFLWFBJSA-N	229.279	3.200	0	50	BGAA	
CC[C@H](C)CC(=O)Nc1c(C)cc(C)nc1C	191864214	NNAYTGFTGKLSFW-VIFPVBQESA-N	234.343	3.382	0	50	BGAA	
CC(C)(C)OC(=O)N1[C@H]2C=CC[C@H]1CCC2	584884016	ACCNFDOYJVWSBX-QWRGUYRKSA-N	223.316	3.105	0	50	BGAA	
CCc1nccc(CN[C@@H](C)C2=CCCCC2)n1	952860032	AGCDZGACQZKNJJ-LBPRGKRZSA-N	245.370	3.018	0	50	BGAA	
Brc1cccc(-n2cccc2)c1	158962	LEUXOIBRUWVBGM-UHFFFAOYSA-N	222.085	3.240	0	50	BGAA	in-vitro
COc1ccccc1CCNC1CCCCC1	183554	ZWEZJGGVPANLEE-UHFFFAOYSA-N	233.355	3.160	0	50	BGAA	
O=C(O)CC1(c2ccsc2)CCCCC1	337221	OGGJUJBKZAGZMR-UHFFFAOYSA-N	224.325	3.425	0	50	BGAA	
CCN(CC)C(=O)Nc1cc(C)cc(C)c1	397168	GXVPZFDPHUDTLJ-UHFFFAOYSA-N	220.316	3.177	0	50	BGAA	
Cc1cc(-c2ccccc2)c(Cl)nn1	398644	KUFFSPPYYIMHDG-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	
O=C(Nc1ccccn1)c1ccc(Cl)s1	1051988	HWMHGVOYMJPMRH-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
CN(C)CCOC1(c2ccccc2)CCCCC1	1641285	YEKRATOGFMBDHG-UHFFFAOYSA-N	247.382	3.424	0	50	BGAA	
CC(C)C[C@@H]1CCC[C@@H](CC(C)C)N1CCO	5633022	VCBVSHSBEVILBE-GJZGRUSLSA-N	241.419	3.294	0	50	BGAA	
CC[C@H](C)Oc1ccc(C=O)cc1Cl	5656397	ZOTLCXPBMHFBEX-QMMMGPOBSA-N	212.676	3.330	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)N1CCc2ccsc2C1	12404745	WSFBIDRTNUEVBV-UHFFFAOYSA-N	239.340	3.041	0	50	BGAA	
Clc1nc2cc(Br)ccc2o1	33420160	YAAOMYRRXGGRAZ-UHFFFAOYSA-N	232.464	3.244	0	50	BGAA	in-vitro
Cc1cc(F)cc2c(C=O)cn(C(C)C)c12	140788473	IFTDZWPZDVAIGA-UHFFFAOYSA-N	219.259	3.482	0	50	BGAA	
FC(F)(F)C(F)(F)c1cc(Cl)ccn1	169677478	ASGAWEVNGFJCIS-UHFFFAOYSA-N	231.551	3.389	0	50	BGAA	
COc1ccc(COC[Si](C)(C)C)cc1	169833432	IWIJBXZUBQCWKH-UHFFFAOYSA-N	224.376	3.089	0	50	BGAA	
C[C@H]1CC(C)(C)C[C@H]1NCCc1nccs1	192391265	UBZWWOKBVSEHAD-WDEREUQCSA-N	238.400	3.100	0	50	BGAA	
Cc1nn(C)c(C)c1CN(C)[C@@H]1CCC(C)(C)C1	344497718	MFCPDLPVZQMEEO-CYBMUJFWSA-N	249.402	3.047	0	50	BGAA	
O=C(Nc1nccs1)[C@@H]1[C@H]2CCC=CCC[C@H]21	584904346	CNVSWBFDWIIJKA-URLYPYJESA-N	248.351	3.074	0	50	BGAA	
C[C@@H]1CCC[C@H]1Nc1cc(C(F)F)ncn1	724635579	OHPIECNQZBNREJ-HTQZYQBOSA-N	227.258	3.015	0	50	BGAA	
O=Cc1ccc(C(F)F)cc1C(F)(F)F	1775955559	DYNVGSBAAAZZHH-UHFFFAOYSA-N	224.128	3.456	0	50	BGAA	
CC(C)(c1ccc(O)cc1)c1cccc(O)c1	57035	ZFXDUWYVZMVVQT-UHFFFAOYSA-N	228.291	3.424	0	50	BGAA	
Nc1ccc(-c2nc3ccc(N)cc3s2)cc1	225954	AQBLHXAPPAUPCH-UHFFFAOYSA-N	241.319	3.128	0	50	BGAA	
O=c1c(Cc2ccccc2)c[nH]c2ccccc12	254831	YNEOUFLOIKUKEF-UHFFFAOYSA-N	235.286	3.119	0	50	BGAA	
CCCCCCn1c(CO)nc2ccccc21	1926846	UWNIQGFGRACROH-UHFFFAOYSA-N	232.327	3.109	0	50	BGAA	
Cc1c[nH]c2c(Br)cccc12	4543224	NNHOFIYUZHKOFD-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
Cc1ccc(O[S@@](=O)c2ccccc2)cc1	4800926	YGXMNNJWDHRTFO-INIZCTEOSA-N	232.304	3.097	0	50	BGAA	
CCNCc1ccc(-c2ccccc2)o1	4942841	MAIIHHHSKYEHIH-UHFFFAOYSA-N	201.269	3.056	0	50	BGAA	
O=C(O)c1cccnc1Oc1cccc(Cl)c1	13090439	ZZJPVCGMAKVSHU-UHFFFAOYSA-N	249.653	3.226	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2)cc1OC	15446169	UGDRDPIUCCRDNA-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
CC(C)N(C)Cc1ccc(Br)cc1	32917449	AMRATEWLRLEPNP-UHFFFAOYSA-N	242.160	3.289	0	50	BGAA	
O=c1cc2ccccc2c(-c2ccccc2)[nH]1	38875445	AFKGUDWNEZXPFF-UHFFFAOYSA-N	221.259	3.195	0	50	BGAA	
O=C(O)c1ccc(-c2ccco2)cc1Cl	65349392	ZAZIBKXDHKSTIZ-UHFFFAOYSA-N	222.627	3.298	0	50	BGAA	in-vitro
c1cc(-c2ccc(CN3CCCCC3)cc2)n[nH]1	65380313	MTKQGHPHTNUDIL-UHFFFAOYSA-N	241.338	3.063	0	50	BGAA	
C[C@@]1(Cc2ccc(F)c(Cl)c2)CCCN1	134342826	LPYMVZQWYOVQIU-LBPRGKRZSA-N	227.710	3.164	0	50	BGAA	
FC(F)(F)C(F)(F)c1ccc(Cl)cn1	169677483	FQCWRGHASNZSMC-UHFFFAOYSA-N	231.551	3.389	0	50	BGAA	
CCOC(=O)C(C)(C)c1c[nH]c2ccccc12	170626089	CYRMKUDLKFOIBU-UHFFFAOYSA-N	231.295	3.009	0	50	BGAA	
CC1(C)Cc2cc(Br)ccc2[C@H]1N	1857779278	XKCJHQVXVWDKME-SNVBAGLBSA-N	240.144	3.031	0	50	BGAA	
O=C(c1ccc(F)cc1)N1CCc2ccccc21	29770	FZMVZJOCYNSJOF-UHFFFAOYSA-N	241.265	3.029	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)Oc1ccccn1	397349	OOJONHTYBYSIDZ-UHFFFAOYSA-N	248.669	3.346	0	50	BGAA	
O=C(O)Cc1ccc(-c2ccc(Cl)cc2)o1	409412	QWDVYBPRRPAVSJ-UHFFFAOYSA-N	236.654	3.227	0	50	BGAA	
Nc1cccc(OCCCc2ccccc2)c1	1749382	NOHOYGXEORYNFY-UHFFFAOYSA-N	227.307	3.280	0	50	BGAA	
c1csc(-c2ccc3cn[nH]c3c2)c1	2526924	KMNIXGREYASOFW-UHFFFAOYSA-N	200.266	3.291	0	50	BGAA	in-vitro
CCNc1nc(CC)nc2c1oc1ccccc12	4302418	OSQRLYLQRYBSDQ-UHFFFAOYSA-N	241.294	3.370	0	50	BGAA	
c1ccc2c(NC[C@@H]3CCCN3)cccc2c1	12404712	SRYXYJQVUDCZIG-ZDUSSCGKSA-N	226.323	3.004	0	50	BGAA	in-vitro
FC(F)c1cc(-c2ccccc2)nc(S)n1	22023129	XSBUTGZIDQQGFL-UHFFFAOYSA-N	238.262	3.370	0	50	BGAA	
OCc1cc(-c2cc3ccccc3s2)ccn1	32573427	AUUGQHVPCWLVSW-UHFFFAOYSA-N	241.315	3.456	0	50	BGAA	
C1CC[C@@H]2S[C@H]3CCCC[C@H]3N=C2C1	36372548	IRXYYHMSABSUEY-USWWRNFRSA-N	209.358	3.428	0	50	BGAA	
Cc1noc(C)c1C[C@@H](C)NCc1ccccc1	119819968	QZGMEOPAAWMEFY-LLVKDONJSA-N	244.338	3.012	0	50	BGAA	
C[C@H]1CCC[C@H](CSc2nnc(N)s2)C1	185481809	JFANMFJUVMXIQS-YUMQZZPRSA-N	243.401	3.039	0	50	BGAA	
C[C@H]1C[C@H](C)CC[C@@H]1NC[C@@H](O)c1ccccc1	226177479	QMGQTVPOKNTIFD-BFJAYTPKSA-N	247.382	3.134	0	50	BGAA	
CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C	252474411	CWOSJUCRWHGUBC-LPWJVIDDSA-N	223.360	3.118	0	50	BGAA	
CC(C)COc1cc(O)cc(Cl)c1	261494285	UFPASESMRYDVEK-UHFFFAOYSA-N	200.665	3.080	0	50	BGAA	
CN(C(=O)NC1CCCCC1)C1CCCCC1	395271	CAPAGWIKRVCJSA-UHFFFAOYSA-N	238.375	3.293	0	50	BGAA	
CCN(CC)c1ccc2ncccc2c1C	400010	CCJKOBHJDOYPAA-UHFFFAOYSA-N	214.312	3.389	0	50	BGAA	
Cc1cnc(NC(=O)CCC2CCCC2)s1	475038	OCHVUIYGDNVFCO-UHFFFAOYSA-N	238.356	3.360	0	50	BGAA	
CCCCNC(=O)Nc1cc(C)cc(C)c1	2172071	WJDKRGVQTYVGQU-UHFFFAOYSA-N	220.316	3.225	0	50	BGAA	
c1ccc(-[n+]2cccc3ccccc32)cc1	3091445	OAYVLSROVHAHCM-UHFFFAOYSA-N	206.268	3.117	0	50	BGAA	
Cc1ccc(C)n1NC(=O)c1ccc(Cl)cc1	4858703	OTRDIXZMSYKZKC-UHFFFAOYSA-N	248.713	3.142	0	50	BGAA	
O=C(Nc1ccccc1)c1ccc(F)cc1F	5558204	UOKDUAZIONZFCP-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
COc1c(C)cccc1C(=O)Nc1ccccc1	9141436	SVLSPTWVUJEBAV-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CC(C)c1nccn1CCc1cccs1	70423059	UONOYJPGEFLBPB-UHFFFAOYSA-N	220.341	3.311	0	50	BGAA	
CCOC(=O)/C=C(/C)Nc1cccc(Cl)c1	104225577	FITNNHVLIQBMOZ-CLFYSBASSA-N	239.702	3.219	0	50	BGAA	
O=C(OCc1ccccc1)N1CCCC2(CC2)C1	146781665	RBEUYGBXYIJAEZ-UHFFFAOYSA-N	245.322	3.199	0	50	BGAA	in-vitro
Cc1cccc(C2(N)CCC(F)(F)CC2)c1	255190631	YKUFCJBKXVMKKR-UHFFFAOYSA-N	225.282	3.358	0	50	BGAA	
Oc1c(Cl)ccc(Cl)c1OC(F)F	263623937	LYUULOXLLQFJQE-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
C=CC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1	585140747	MWNDORQWIPWZRU-GOEBONIOSA-N	241.334	3.100	0	50	BGAA	
CCOc1ccc(-c2n[nH]c(=S)n2CC)cc1	107530	WEKYVARPSFWPBN-UHFFFAOYSA-N	249.339	3.026	0	50	BGAA	
Cc1nc(Cn2c(C)nc3ccccc32)cs1	127496	MIYWYMIRQKWONE-UHFFFAOYSA-N	243.335	3.158	0	50	BGAA	
Cc1ccc(C2(C(=O)O)CCCCC2)cc1	155683	BEVYUARQHKRBMH-UHFFFAOYSA-N	218.296	3.282	0	50	BGAA	in-vitro
Cc1cc(C)cc(NCc2cccnc2)c1	292765	PEWBPPHGXOHTFF-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
Cc1ccccc1NC(=O)Oc1ccccn1	396445	SQMPZIMIANYLEU-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
CC(C)C(=O)Nc1ccccc1Br	458262	MKKPRFSGORFQCW-UHFFFAOYSA-N	242.116	3.044	0	50	BGAA	
C[C@@H](N)c1ccc(Oc2ccccc2)cc1	1852597	WSQOGHJCBFRHSI-LLVKDONJSA-N	213.280	3.499	0	50	BGAA	in-vitro
CC(C)c1cc(-c2n[nH]c(=S)n2C)cs1	2569133	YWZJKSFICYLCHK-UHFFFAOYSA-N	239.369	3.330	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1ccccc1SC	2885231	MBDHINBGEADFIX-SNVBAGLBSA-N	237.368	3.327	0	50	BGAA	
O=C1OCc2ccccc2-c2ccccc21	4825597	UYCIYTZGOBZBME-UHFFFAOYSA-N	210.232	3.024	0	50	BGAA	in-vitro
CC(C)c1ccccc1OCCN1CCCC1	5023758	XUQCBNNGDAYDHY-UHFFFAOYSA-N	233.355	3.285	0	50	BGAA	
Fc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1	8970464	NDVPIRBTOQYYHD-UHFFFAOYSA-N	230.164	3.235	0	50	BGAA	
Cc1ncc2ccccc2c1Br	15781150	GAGBZCVLKGZXFY-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)NCc1ccc(Cl)cc1	75244078	DWKFLKALAMAVJY-UHFFFAOYSA-N	241.718	3.365	0	50	BGAA	
CNC(=O)c1ccc(-c2ccccc2)c(Cl)c1	145830544	KVRNMYFUWLHCFV-UHFFFAOYSA-N	245.709	3.367	0	50	BGAA	
CC(C)Oc1cc(Cl)c(F)cc1F	238149679	BAXBQGFTULOMAM-UHFFFAOYSA-N	206.619	3.405	0	50	BGAA	
Cc1ccc(N)c(-c2ccc3nsnc3c2)c1	1875339980	GDKWOJZNBGWKLA-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
C[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1	29710	FYEPSFHWPZWNKT-SNVBAGLBSA-N	237.730	3.212	0	50	BGAA	
O=C(/C=C/c1ccccc1)Nc1ccccc1	60228	FIIZQHKGJMRJIL-VAWYXSNFSA-N	223.275	3.339	0	50	BGAA	
CCCCNCCCOc1ccc(C)cc1	2900904	KUMBRMHTEZMZFP-UHFFFAOYSA-N	221.344	3.154	0	50	BGAA	
CC(C)=CCC[C@H](C)CCN1CCN(C)CC1	19608662	SKRKKINCKPLLBV-HNNXBMFYSA-N	238.419	3.006	0	50	BGAA	
COc1ccc(-c2ccc3nc[nH]c3c2)cc1F	96167017	MVLMRIWGFDDZIH-UHFFFAOYSA-N	242.253	3.378	0	50	BGAA	
Cc1nc2ccc(NCC(C)C)cc2o1	122681693	HTUYLTOVVDBNQX-UHFFFAOYSA-N	204.273	3.204	0	50	BGAA	
CC(C)c1n[nH]c2cc(Br)ccc12	142789050	BCOCEYNYPQTAGX-UHFFFAOYSA-N	239.116	3.449	0	50	BGAA	in-vitro
CC1(C)C[C@@H]1C(=O)NCc1ccc(Cl)s1	178718600	PXINDAPALQJLNA-MRVPVSSYSA-N	243.759	3.064	0	50	BGAA	
S=C(c1ccccc1)N1CCc2ccccc21	252478099	ADLTZPXQIDAMCV-UHFFFAOYSA-N	239.343	3.425	0	50	BGAA	
c1cn2c(-c3ccc(C4CC4)cc3)cnc2cn1	2356146991	CRNUIDLNSPQSEW-UHFFFAOYSA-N	235.290	3.274	0	50	BGAA	
CCC(CC)NC(=O)c1ccc(C)c(C)c1	349975	VXTCBWIUYUJLCY-UHFFFAOYSA-N	219.328	3.222	0	50	BGAA	
CCCNC(=O)Nc1ccc(C)c(Cl)c1	1640221	NQGFPKSNQZIBQU-UHFFFAOYSA-N	226.707	3.180	0	50	BGAA	
O=C(c1ccc(Cl)s1)C(F)(F)F	2579824	LJMKUBCRLMOZNU-UHFFFAOYSA-N	214.595	3.147	0	50	BGAA	
O=C(O)c1ccccc1-c1ccc(F)cc1	2585759	LGVNEKHPDXUTKA-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
Clc1ncnc2c1oc1ccccc12	3276908	ABRHSRPOYMSBOI-UHFFFAOYSA-N	204.616	3.029	0	50	BGAA	
C[C@H]1CC[C@H](c2c[nH]c3ccccc23)N1C	5752013	LQPZPKOXKQFSPK-IINYFYTJSA-N	214.312	3.323	0	50	BGAA	
NC(=O)c1ccc(-c2ccc3ccccc3n2)cc1	32511822	MLCNVCZTYQEVRB-UHFFFAOYSA-N	248.285	3.001	0	50	BGAA	
Cc1cc(C(=O)O)ccc1OCc1ccccc1	36193750	NLQKPMZDWHTVCF-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	in-vitro
FC(F)(F)c1ccc([C@@H]2CSCCN2)cc1	70558299	MPLQHRJLTSFLIN-JTQLQIEISA-N	247.285	3.083	0	50	BGAA	
Cc1cc(C(=O)O)c(Cl)cc1Br	71792230	QNHHXEHGMXANPR-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	
CC(C)C(=O)N1[C@@H](C)[C@H](c2ccccc2)C[C@H]1C	172741399	WXFMAQTUAOEMHJ-VNHYZAJKSA-N	245.366	3.436	0	50	BGAA	
CC[C@H]1CCC(=O)C[C@@H]1SC(C)C	725362440	SCWZVVMBZKRWOE-ONGXEEELSA-N	200.347	3.276	0	50	BGAA	
C[C@@H](NC(=O)CCC(F)(F)F)C1=CCCCC1	827989645	JPYSUVULVOWBMR-SECBINFHSA-N	249.276	3.334	0	50	BGAA	
FC(F)c1ccnc(N[C@@H]2CCCOCC2)c1	1875286865	KALVPNSLDUEMPW-SNVBAGLBSA-N	242.269	3.000	0	50	BGAA	
Clc1cnc2ccc(-c3cccnc3)cn12	1875340389	YVOCAPCADDMWRZ-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
CCN(CC)C(=O)c1cc(Cl)ccc1Cl	30112	QZQZZQVSKHUZSS-UHFFFAOYSA-N	246.137	3.475	0	50	BGAA	
CCC(=O)c1ccc(N2CCCC2)c(F)c1	269014	JHEQHURBHBIMOL-UHFFFAOYSA-N	221.275	3.019	0	50	BGAA	
C[C@H]1CCCCN1C(=O)Nc1ccccc1	396452	RCOVLPUMQPKGSR-NSHDSACASA-N	218.300	3.093	0	50	BGAA	
CCC(CC)NC(=O)/C=C/c1ccccc1	456109	UWTNQDFEHZIEGP-ZHACJKMWSA-N	217.312	3.005	0	50	BGAA	
CCCc1nc(-c2ccc(Cl)cc2)no1	4820527	PNGRFSLOMKCBLH-UHFFFAOYSA-N	222.675	3.343	0	50	BGAA	in-vitro
Brc1cc2ccncc2s1	38873447	UMWCWAYSRWHURQ-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Cc1c2c(nn1-c1ccccc1)C[C@H]1[C@H]2C1(C)C	104619052	KQMINNNRYGRYFH-SWLSCSKDSA-N	238.334	3.476	0	50	BGAA	
Cc1ccc([C@H](C)CC(=O)CC(C)(C)O)cc1	196539341	XOILAZXNTMGJRR-GFCCVEGCSA-N	234.339	3.219	0	50	BGAA	biogenic
Cc1c(-c2cccc(N)c2)c[nH]c2nccc1-2	2325865010	JADMTMVEZNFOAW-UHFFFAOYSA-N	223.279	3.072	0	50	BGAA	
Cc1ccc(-n2c(C)cc(=O)cc2C)c(C)c1	168133	AOFSIGOSSMIWHQ-UHFFFAOYSA-N	227.307	3.071	0	50	BGAA	
O[C@@H](c1ccccc1)c1nc2ccccc2s1	239240	CIGCMDAWHHOUBO-ZDUSSCGKSA-N	241.315	3.378	0	50	BGAA	
O=C1CCCCCC[C@]12O[C@H]2c1ccccc1	336519	FSBZWAGBLYKZFO-GJZGRUSLSA-N	230.307	3.420	0	50	BGAA	
CCC(=O)NC(c1ccccc1)c1ccccc1	397768	WFJCUVNCWKUMSC-UHFFFAOYSA-N	239.318	3.302	0	50	BGAA	
C[C@H](C(=O)OC(C)(C)C)c1ccccc1	409762	ANRMTVJCEZBLMH-JTQLQIEISA-N	206.285	3.132	0	50	BGAA	
Fc1cc(Br)cc2cc[nH]c12	2525090	TZRRRWOVYVGRSL-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
CC(C)(C)c1ccc(CCCC(=O)O)cc1	2555522	MDPZCXXNCSUROL-UHFFFAOYSA-N	220.312	3.391	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)c2cccc(O)c2)c1C	19840417	NQVDWRFYOUELGZ-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
CCCCCN(CCN(C)C)c1ccccc1	96027975	LXOHMBTYGLHGFM-UHFFFAOYSA-N	234.387	3.245	0	50	BGAA	
C[C@H]1CC[C@@H](c2nc(C3CCCCC3)no2)O1	129161921	AOHNXWFGXOBKFJ-ONGXEEELSA-N	236.315	3.357	0	50	BGAA	
COC(=O)C[C@H](c1cccc(O)c1)C1CCCC1	224682400	DREPTURAIYYBLC-AWEZNQCLSA-N	248.322	3.229	0	50	BGAA	
Cc1ccc(C2(N)CCC(F)(F)CC2)cc1	255188014	IGXMQKOEZMIKJJ-UHFFFAOYSA-N	225.282	3.358	0	50	BGAA	
CCNCc1c(Cl)cccc1Br	261494019	OBMJSWAOMQUDTL-UHFFFAOYSA-N	248.551	3.212	0	50	BGAA	
C[C@H]1CC[C@H](c2nc(Cc3cncs3)no2)C1	330093348	ZQMJOVOJYQXSFI-IUCAKERBSA-N	249.339	3.021	0	50	BGAA	
COc1ccsc1CN[C@@]12CCCC[C@@H]1C2	631228538	ZILWTUBQRUGCPG-ZWNOBZJWSA-N	237.368	3.179	0	50	BGAA	
CC[C@@H](c1ccccc1)c1nnc2n1CCCC2	887283018	NBSKZXNLENOFEO-ZDUSSCGKSA-N	241.338	3.156	0	50	BGAA	
O=C(NC1CCCC1)c1ccc(Cl)cc1	383461	XEMBEWQSXMZKPJ-UHFFFAOYSA-N	223.703	3.012	0	50	BGAA	
NC(=O)c1cccc2c1sc1ccccc12	400094	NUGMEQRGXGSBJI-UHFFFAOYSA-N	227.288	3.153	0	50	BGAA	
CC1=C[C@@]2(O)O[C@@]3(CC2=C(C)C)[C@@H](C)CC[C@@H]13	1648536	ISFMXVMWEWLJGJ-NZBPQXDJSA-N	234.339	3.177	0	50	BGAA	endogenous,in-man
Oc1c(Cl)cc(Cl)cc1Br	1657278	FRPHJINKMDMSPH-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	biogenic
O=C(O)C1[C@H]2CCC=CCCC=CCC[C@H]12	3160759	IOZRVTUKBUOZNP-VYAYZGMFSA-N	220.312	3.400	0	50	BGAA	in-vitro
Cc1cc(OC(=O)N(C)C)cc(C)c1Cl	6697893	MUFLZNRUWYJZCT-UHFFFAOYSA-N	227.691	3.017	0	50	BGAA	
CC(C)(C)CC(=O)Nc1cc(C(C)(C)C)on1	12381429	KRWFFFBUVPTWST-UHFFFAOYSA-N	238.331	3.347	0	50	BGAA	
CCc1ccc(C(=O)NCc2ccccc2)s1	13327454	ZEGWEHFDZJHQDS-UHFFFAOYSA-N	245.347	3.241	0	50	BGAA	
COc1cc2cc(C)c(Cl)nc2cc1OC	13535511	GQKKWBQAXORHHB-UHFFFAOYSA-N	237.686	3.214	0	50	BGAA	
CN(C)c1ccc(-c2cccc(C(=O)O)c2)cc1	16947739	PEOSDVIAQUMSQX-UHFFFAOYSA-N	241.290	3.118	0	50	BGAA	in-vitro
O=C(O)c1cc(N2CCCCC2)ccc1Cl	19094077	QARRYDHZJVYXCJ-UHFFFAOYSA-N	239.702	3.029	0	50	BGAA	
CCc1ccc(S)c(Br)c1	67796579	VOLMTDDVWAGZOC-UHFFFAOYSA-N	217.131	3.300	0	50	BGAA	
C[C@H](CNC1CCSCC1)c1cccs1	119450774	JMTWYVRUMVJMCS-SNVBAGLBSA-N	241.425	3.337	0	50	BGAA	
CCOC(=O)c1oc2cc(F)ccc2c1C	169795035	RFWXSKYCBLCJTC-UHFFFAOYSA-N	222.215	3.057	0	50	BGAA	
C=Cc1cccc(Br)c1OCC	585661706	NIFZXSSGBVSJBX-UHFFFAOYSA-N	227.101	3.491	0	50	BGAA	
COc1cccc(-c2ccc(Cl)nc2)c1OC	725264180	NNBBBQFPRDCSTL-UHFFFAOYSA-N	249.697	3.419	0	50	BGAA	
C=CC(=O)NC(C)(C)CC1CCCCCC1	1120552696	IZKXUQWLGLBYCW-UHFFFAOYSA-N	223.360	3.428	0	50	BGAA	
Clc1ccc(-c2cnc3cnccn23)cc1	2356153122	SHQNJASTOLBDJX-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
CCc1ccc(NC(=O)Cc2cccs2)cc1	30810	KGOUDXFMNOGJIJ-UHFFFAOYSA-N	245.347	3.492	0	50	BGAA	
Nc1ccc2oc(=O)c(-c3ccccc3)cc2c1	194772	DBJLSIHJOKRHGR-UHFFFAOYSA-N	237.258	3.042	0	50	BGAA	
CCC(CC)C(=O)Nc1cccc(C(C)=O)c1	475643	OYHSIUVRMKXGFK-UHFFFAOYSA-N	233.311	3.264	0	50	BGAA	
COc1ccc2c3c([nH]c2c1)CCCC3	1869946	LAOWVRRXCCBHEP-UHFFFAOYSA-N	201.269	3.055	0	50	BGAA	in-vitro
Brc1ccccc1-c1ccno1	2578073	CFIWXQDRNFECMZ-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
Cc1ccccc1-c1noc(-c2ccncc2)n1	2884173	NAEXQMOVCNZFAQ-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
C[C@H](NC(=O)c1ccccc1)c1ccc(F)cc1	3614480	PAOSBOJQKXBGHK-NSHDSACASA-N	243.281	3.317	0	50	BGAA	
O=C(O)c1ccc(OCc2ccccc2F)cc1	4513156	PKWADBDVMROXJB-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	in-vitro
c1cc2cccc3[nH]c(-c4cnc[nH]4)nc(c1)c23	5037851	JGVHLLAQQHVLQU-UHFFFAOYSA-N	234.262	3.106	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1ccc(C)cc1C	6730374	LGEIISXCIMYPNQ-NSHDSACASA-N	220.316	3.223	0	50	BGAA	
Cc1ccc(-c2cccc(C(=O)O)c2)c(F)c1	65336947	YJUVMAOSWHFUOK-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
COc1cccc(-c2ccc(C(=O)O)cc2C)c1	65349959	MNFBEIAMJQNJQY-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
O=c1oc2ccccc2c(O)c1-c1ccccc1	100051807	CBHMYFPBBDCWSY-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	
Cc1ccc(-c2noc(C3CCC3)n2)cc1F	109506835	NDGHDGOOBFBFPA-UHFFFAOYSA-N	232.258	3.452	0	50	BGAA	
COC(C)(C)c1ccc(Br)cc1	116973340	SVSUUYAOGAZDBT-UHFFFAOYSA-N	229.117	3.331	0	50	BGAA	in-vitro
FC(F)(F)C(F)(F)c1ccnc(Cl)c1	169677470	CPYPPJNGBTUKNW-UHFFFAOYSA-N	231.551	3.389	0	50	BGAA	
COCc1cc(-c2cc(C)ccc2Cl)ncn1	216525389	SGGRTEYQGXMMCM-UHFFFAOYSA-N	248.713	3.252	0	50	BGAA	
CCCCn1c[n+](COCCC)c2ccccc21	230519643	QTNDYQQGIMTXFS-UHFFFAOYSA-N	247.362	3.113	0	50	BGAA	
CCC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C	252474413	CWOSJUCRWHGUBC-RNJOBUHISA-N	223.360	3.118	0	50	BGAA	
Fc1cncc(-c2c[nH]c3ccccc23)c1	2325776994	WKWVUZKJAFYRFO-UHFFFAOYSA-N	212.227	3.369	0	50	BGAA	
CC(C)CNC(=O)c1ccc2ccccc2c1	455317	XDSNZMNOXYMCHQ-UHFFFAOYSA-N	227.307	3.226	0	50	BGAA	
CCCC(=O)OC/C=C/c1ccccc1	1661151	YZYPQKZWNXANRB-UXBLZVDNSA-N	204.269	3.043	0	50	BGAA	in-vitro
CCc1cccc(OCCCN2CCCC2)c1	3003462	GABMLRUWGZTXFH-UHFFFAOYSA-N	233.355	3.114	0	50	BGAA	
CC(=O)c1sc(-c2ccc(O)cc2)nc1C	4218285	CVFSPXYVIUTMQL-UHFFFAOYSA-N	233.292	3.027	0	50	BGAA	
Cc1ccccc1CC(=O)Nc1ccccc1	6700295	RHAOXWAXLXXLFS-UHFFFAOYSA-N	225.291	3.176	0	50	BGAA	
C(=NNc1ccccn1)c1ccc2c(c1)CCC2	25664827	NDCXQSUCGVXSOD-UHFFFAOYSA-N	237.306	3.016	0	50	BGAA	
Cc1cc2c(F)ccc(C)c2nc1-c1cc[nH]n1	67935382	MHIAACRNNMWUMP-UHFFFAOYSA-N	241.269	3.381	0	50	BGAA	
Fc1cnc(C(F)(F)F)c(Br)c1	74938396	RRRFJEMWVAWRIX-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
COC[C@@H]1CCCCN1Cc1ccc(C)s1	97499407	DTEQKWXDYFBCRA-LBPRGKRZSA-N	239.384	3.057	0	50	BGAA	
Cc1nccc(NCCc2cccnc2)c1Cl	310120586	ABUDENSUUGGYBR-UHFFFAOYSA-N	247.729	3.093	0	50	BGAA	
CCCC1(CN[C@H](C)Cn2ccnc2C)CCC1	534664698	IGEZKBJCGPSHBQ-CYBMUJFWSA-N	249.402	3.140	0	50	BGAA	
Cc1ncccc1C(=O)N[C@H](C)C1=CCCCC1	670468140	YUKMCZQOGYUDFQ-LLVKDONJSA-N	244.338	3.009	0	50	BGAA	
Cc1nc2cc(-c3ccn(C)n3)ccc2s1	1242459886	NURSAVZRWXVHSG-UHFFFAOYSA-N	229.308	3.005	0	50	BGAA	
CC(C)C(=O)NCc1ccc(Cl)cc1Cl	78093	UGHVLVSSBBCAAY-UHFFFAOYSA-N	246.137	3.266	0	50	BGAA	
O=c1oc(-c2ccco2)nc2ccc(Cl)cc12	80468	HNVOGVQHABTRSC-UHFFFAOYSA-N	247.637	3.101	0	50	BGAA	
COc1ccc(CNCc2ccc(C)cc2)cc1	182169	UDAMQTRGVKVYKM-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	biogenic
Nc1c(Cl)nc(Cl)c(Cl)c1Cl	970399	NIJKPRQUINCPAX-UHFFFAOYSA-N	231.897	3.277	0	50	BGAA	in-vitro
Cc1cc(OC(C)(C)C(=O)O)cc(C)c1Cl	1459358	VMKNHGYEWGGFQL-UHFFFAOYSA-N	242.702	3.199	0	50	BGAA	
Nc1ccccc1Oc1ccccc1F	2538739	FMHXQFVNBSTBQV-UHFFFAOYSA-N	203.216	3.200	0	50	BGAA	
CC(C)=CCC/C(C)=C/[C@H]1OC[C@@H](C)O1	4991433	DWZRENGNFQNWQZ-GTMNMCRUSA-N	210.317	3.441	0	50	BGAA	endogenous,in-man
CC(C)CCOC(C)OCCC(C)C	5441112	LXKCTPBHCJDSKC-UHFFFAOYSA-N	202.338	3.458	0	50	BGAA	endogenous,in-man
Fc1ccc2c(Cl)nc(Cl)nc2c1	26894511	HHGKYNUUYMRIAV-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	in-vitro
CC(C)CC[C@@H](C)NCCC1(O)CCCC1	32598420	KNVQRGVTJVCUEP-CYBMUJFWSA-N	227.392	3.096	0	50	BGAA	
COc1cc2ccccc2cc1C(C)=O	34415117	RNZWDMFJUYOHAA-UHFFFAOYSA-N	200.237	3.051	0	50	BGAA	
Oc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1	37439998	OBNJUGLHYDHCDZ-UHFFFAOYSA-N	228.226	3.075	0	50	BGAA	
CCc1ccc(-c2nc(C=O)cs2)cc1	37974044	WNPXTBVDXBOLND-UHFFFAOYSA-N	217.293	3.185	0	50	BGAA	in-vitro
Brc1ccc2[nH]c3cccnc3c2c1	205950090	OXYFZHUGVBINOL-UHFFFAOYSA-N	247.095	3.479	0	50	BGAA	in-vitro
CC1=CC[C@@H]2[C@H](C[C@@H]3C[C@H]32)C(=O)[C@@H]2CC=C[C@H]12	257355571	BJTUNDNVJCZYIV-QAIIKZMUSA-N	228.335	3.370	0	50	BGAA	
CCCOc1ccc(O)cc1C(F)(F)F	261494062	OYNMHIKFOVTTCW-UHFFFAOYSA-N	220.190	3.200	0	50	BGAA	
C[C@]1(NC(=O)C2CC3(CCC3)C2)CC=CCC1	335347469	XKANSKPEZSKVCA-AWEZNQCLSA-N	233.355	3.182	0	50	BGAA	
C[C@@H]1CCN(C(=O)[C@H](C)c2ccccc2)[C@H](C)C1	425035470	ILSORFWOXXZGSZ-MGPQQGTHSA-N	245.366	3.437	0	50	BGAA	
c1ccc2c(c1)[nH]c1cnn([C@H]3CCCCO3)c12	616582544	ALHUCTNQUKJTLS-CYBMUJFWSA-N	241.294	3.217	0	50	BGAA	
O=C(O)c1cccc(-c2ccnc(C(F)F)c2)c1	725273714	XGFXTFWEULEVNS-UHFFFAOYSA-N	249.216	3.384	0	50	BGAA	
COC(=O)c1ccc2c(c1)C[C@H](C(C)(C)C)CN2	950757309	RYYVOKVGVWUIEA-LBPRGKRZSA-N	247.338	3.104	0	50	BGAA	
CCCC(=O)OCC=Cc1ccccc1	1857790701	YZYPQKZWNXANRB-UHFFFAOYSA-N	204.269	3.043	0	50	BGAA	
Cc1sc(N)nc1-c1ccc(Cl)cc1	7580	IEJGVSUOFMBPJU-UHFFFAOYSA-N	224.716	3.354	0	50	BGAA	in-vitro
O=C(O)c1cc(C(F)(F)F)ccc1Cl	56838	WLXRKCGYQAKHSJ-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	in-vitro
CCNC(=O)N(CC)c1ccc(C)c(Cl)c1	401807	MMMFUKLCKYQXKG-UHFFFAOYSA-N	240.734	3.204	0	50	BGAA	
CC(=O)c1cccc(NC(=O)c2ccoc2C)c1	474316	QYYPDECVQIRJMC-UHFFFAOYSA-N	243.262	3.043	0	50	BGAA	
Cc1nc2ccccc2c(Br)c1O	5419360	KJLMRQHMWOMEST-UHFFFAOYSA-N	238.084	3.011	0	50	BGAA	
CCCCC[C@@H](C)NC(=O)COc1ccccc1	5464410	HOAPMSIUXDBLJR-CYBMUJFWSA-N	249.354	3.150	0	50	BGAA	
CCCNc1cc(OCC)ccc1OCC	19906601	YLFVFSGTIPBKHO-UHFFFAOYSA-N	223.316	3.306	0	50	BGAA	
O[C@@H]1Cc2ccccc2Nc2ccccc21	32238192	NPKCAMZGRRHFTJ-CQSZACIVSA-N	211.264	3.020	0	50	BGAA	in-vitro
COc1cccc(-c2ccc(F)c(C(=O)O)c2)c1	38068219	IAMDXDDEIRGDTQ-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Nc1ccc(C(F)(F)F)c(Br)c1	59615365	VMERAUXEEDONDK-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	in-vitro
O=S=Nc1cc(Cl)ccc1Cl	96032107	HHXSSKBZNLHXEU-UHFFFAOYSA-N	208.069	3.022	0	50	BGAA	
C[C@@H]1CC(C)(C)C[C@@H]1NCCc1nccs1	192391256	UBZWWOKBVSEHAD-MNOVXSKESA-N	238.400	3.100	0	50	BGAA	
Fc1ccc(N2CCC[C@H]2c2ccco2)nc1	225820576	NMZJLTPXIRBWQJ-NSHDSACASA-N	232.258	3.155	0	50	BGAA	
CC(C)O[C@H]1CC(=O)CC[C@H]1C(C)(C)C	725360593	IRYMYOUOVWBBDF-NEPJUHHUSA-N	212.333	3.195	0	50	BGAA	
CCC(CC)c1nc(-c2ccc(C)nc2O)no1	771108883	NRZUCJNXGJZCTI-UHFFFAOYSA-N	247.298	3.049	0	50	BGAA	
O=C(Nc1ccccc1F)c1ccccc1	73200	UZPGWRCSQTZJAB-UHFFFAOYSA-N	215.227	3.078	0	50	BGAA	
Cc1ccc(NCc2ccncc2)cc1C	234405	NXHJQFJSYPALPJ-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
COc1ccccc1NC(=O)N1CCCC[C@@H]1C	401528	JPGCOOUWQSISAO-NSHDSACASA-N	248.326	3.102	0	50	BGAA	
CC(C)(O)CCc1ccc2c(c1)CCC(C)(C)O2	410100	SDJXCMKXGKVZIR-UHFFFAOYSA-N	248.366	3.494	0	50	BGAA	
CC1(C)C[C@H](C(=O)Cc2ccccc2)CCO1	500704	HGSNTPSHWYITNG-CYBMUJFWSA-N	232.323	3.003	0	50	BGAA	
c1ccc2c(c1)Nc1nc3ccccc3nc1N2	1642486	WGKYYZDYHYOKQV-UHFFFAOYSA-N	234.262	3.430	0	50	BGAA	in-vitro
Brc1cc(-c2ccccc2)on1	2024811	SMWZGZIZOHNWBH-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
CCc1cccc(OCCCN[C@@H](C)CC)c1	2825200	IMVMASUMAJULST-ZDUSSCGKSA-N	235.371	3.406	0	50	BGAA	
C[n+]1ccc(/C=C\c2c[nH]c3ccccc23)cc1	5159007	REPRLCRXMJXHAW-UHFFFAOYSA-O	235.310	3.163	0	50	BGAA	in-vitro
CC(=O)c1ccc2c(c1)C=CC(C)(C)O2	5167610	ZAJTXVHECZCXLH-UHFFFAOYSA-N	202.253	3.073	0	50	BGAA	endogenous,in-man
C/C=C/[C@]12CCC[C@H]1CC(C)(C)C(=O)O2	71786202	CZSXYZCHRLWKSB-YJNCBDGFSA-N	208.301	3.075	0	50	BGAA	
Cc1c(F)cc(OC(F)(F)F)cc1F	263624590	RURLXQJDXDKUNU-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
CC[C@@H](C)C(=O)CC(=O)C1CCCCC1	721129222	CMAHJLUQAGEGPN-SNVBAGLBSA-N	210.317	3.141	0	50	BGAA	
C[C@@H](NC(=O)c1cccs1)c1ccccc1	29365	LEDNWIDPUBDPLC-SNVBAGLBSA-N	231.320	3.239	0	50	BGAA	
O=C1C[C@@H](c2ccccc2)Oc2ccc(O)cc21	57918	XYHWPQUEOOBIOW-HNNXBMFYSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vivo
Cc1ccccc1OC(=O)OCC(C)C	276823	LLXWOUNCYHNMCV-UHFFFAOYSA-N	208.257	3.166	0	50	BGAA	
c1coc(CNC2C3CC4CC(C3)CC2C4)c1	280528	DOXOAHBMIXAJAL-UHFFFAOYSA-N	231.339	3.194	0	50	BGAA	
O=C1CCCc2c1[nH]c1c(Cl)cccc21	448222	WBXRAOUSCYEKQO-UHFFFAOYSA-N	219.671	3.340	0	50	BGAA	
COc1c(C)cc(-c2cscn2)cc1C	1520079	LYSACKHOLMICRA-UHFFFAOYSA-N	219.309	3.436	0	50	BGAA	in-vitro
C[C@@H](CCN1CCCC[C@@H]1CO)c1ccccc1	2498641	BGANQIAXOIFQLM-GOEBONIOSA-N	247.382	3.027	0	50	BGAA	
CCc1cc(OCCCCNC)ccc1Cl	2845030	OVMRPTRWLMVAPK-UHFFFAOYSA-N	241.762	3.281	0	50	BGAA	
Nc1n[nH]c2c1C1(CCCC1)Cc1ccccc1-2	5045367	YENPMKGREMANSG-UHFFFAOYSA-N	239.322	3.027	0	50	BGAA	
Cc1ccc([C@H](O)c2ccccc2)c(C)c1	5379901	ZNEBOEANKGYAAM-OAHLLOKOSA-N	212.292	3.385	0	50	BGAA	
Cc1cc(C(F)(F)F)cc(Br)n1	16159630	OMOUYBVNDMGYGB-UHFFFAOYSA-N	240.022	3.171	0	50	BGAA	
Cc1nc(-c2ccc(C)c(O)c2)n(C(C)(C)C)n1	96135848	LSXAAVSOYDJWEH-UHFFFAOYSA-N	245.326	3.023	0	50	BGAA	
CC(C)(C)c1noc(C2[C@H]3CCCC[C@H]23)n1	170655118	ANNKPCGMSFVGSO-IUCAKERBSA-N	220.316	3.271	0	50	BGAA	
CC(C)c1ccccc1NC(=O)c1ccncc1	119459	UKHGOQRXESIERB-UHFFFAOYSA-N	240.306	3.457	0	50	BGAA	
CO[C@H]1CCCC[C@H]1Nc1ccccc1	293048	AIWUEFRPZLVRCO-OLZOCXBDSA-N	205.301	3.056	0	50	BGAA	
Cc1[nH]c2ccccc2c1-c1csc(N)n1	314072	HBRJCZSXULOKGL-UHFFFAOYSA-N	229.308	3.182	0	50	BGAA	in-vitro
COc1cccc(C(=O)Nc2cccc(C)c2)c1	361967	WGGRMTANDDIVBG-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CC[C@@H](C)NC(=O)c1ccc(C)cc1Cl	457961	CVDWHKQSAVZORC-SECBINFHSA-N	225.719	3.177	0	50	BGAA	
CC(C)(C)c1cc(N)n(-c2ccccc2Cl)n1	2527284	AHLRDDKINAAAJO-UHFFFAOYSA-N	249.745	3.405	0	50	BGAA	in-vitro
Cc1ncc(-c2ccc(Br)cc2)cn1	3110248	ILUGQMCJLKLOFU-UHFFFAOYSA-N	249.111	3.215	0	50	BGAA	
CC(C)=CCC/C(C)=C/[C@@H]1OC[C@@H](C)O1	4991439	DWZRENGNFQNWQZ-NALFIARHSA-N	210.317	3.441	0	50	BGAA	endogenous,in-man
Cc1cc[n+](C23CC4CC(CC(C4)C2)C3)cc1	5212387	MEWBQCYUIRFTJK-UHFFFAOYSA-N	228.359	3.208	0	50	BGAA	
Cc1ccc([C@H](CN)c2c[nH]c3ccccc23)o1	16806728	WWCXHACKCXBIQX-GFCCVEGCSA-N	240.306	3.160	0	50	BGAA	
Clc1ncnc2c1ccn2C1CCCC1	32151037	ZQHBEEYPDFIIPH-UHFFFAOYSA-N	221.691	3.200	0	50	BGAA	in-vitro
FC(F)(F)C(Cl)(Cl)Br	71790166	ZKMFFBJKSALGEO-UHFFFAOYSA-N	231.826	3.075	0	50	BGAA	in-vitro
CC(C)c1ccc(C2CC(=O)CC(=O)C2)cc1	100014334	GZEOADDHUHXTCJ-UHFFFAOYSA-N	230.307	3.216	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccnc(Cl)c1F	114611566	QXENIQDCJYUEJV-UHFFFAOYSA-N	246.669	3.221	0	50	BGAA	
CCc1cnc(CN2CCC[C@@H]3CCC[C@H]32)o1	252370622	YLBYNWNNMBJWRE-WCQYABFASA-N	234.343	3.002	0	50	BGAA	
c1ccc2c3ccn4c(c-3nc2c1)CCCC4	409415850	HCMJHHOOBKRWEN-UHFFFAOYSA-N	222.291	3.477	0	50	BGAA	
CC1=NO[C@H](CN[C@H](c2ccccc2)C(C)C)C1	1616178103	WIXBVZYZYMUIOZ-GJZGRUSLSA-N	246.354	3.138	0	50	BGAA	
CC[C@@H](C)NC(=O)Nc1ccc(F)c(Cl)c1	137464	XFMSSXKOLHZUGI-SSDOTTSWSA-N	244.697	3.399	0	50	BGAA	
Cc1ccc(S(=O)(=O)C2CCCCC2)cc1	399890	IBSAIUWYTSMHMZ-UHFFFAOYSA-N	238.352	3.101	0	50	BGAA	
Cc1ccc(C(=O)CNc2ccc(F)cc2)cc1	1137609	SBPOQIAUJJWJBT-UHFFFAOYSA-N	243.281	3.429	0	50	BGAA	
Clc1ccc2c(c1)nc1n2CCCC1	1703105	MHVVQHLBAPDDOT-UHFFFAOYSA-N	206.676	3.026	0	50	BGAA	
CC(C)N[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	5043383	ITAAOLAOFMHPDF-IKMFHRHGSA-N	249.398	3.158	0	50	BGAA	
O=C(NCSc1ccccc1)c1ccccc1	15771601	NLUFNWLTQGIRQW-UHFFFAOYSA-N	243.331	3.166	0	50	BGAA	
Cc1cnc(Cl)c(NC(=O)OC(C)(C)C)c1	39961312	RHAUUZRWGHXLJB-UHFFFAOYSA-N	242.706	3.390	0	50	BGAA	in-vitro
FC(F)c1cccc(Br)c1	63926330	UJHIUQWUSQZMOL-UHFFFAOYSA-N	207.017	3.387	0	50	BGAA	in-vitro
c1ccc(C(Cn2cnnc2)c2ccccc2)cc1	65382492	IYHSSWWRJVFVRH-UHFFFAOYSA-N	249.317	3.110	0	50	BGAA	
COc1ccc(-c2nc(C)ncc2C)cc1Cl	67804858	TVDLXOCEUNULSD-UHFFFAOYSA-N	248.713	3.422	0	50	BGAA	
CC1(C)C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F	153994576	UUOBECWJPBOLQX-ZCFIWIBFSA-N	243.228	3.089	0	50	BGAA	
CCC[C@@H](NC(C)C)C(=O)c1ccccc1	238247881	YKMMLFOYDTYAGR-CYBMUJFWSA-N	219.328	3.036	0	50	BGAA	in-vitro
CC[C@@H]1CCC(=O)C[C@@H]1OC1CCCC1	725363049	WXVRYPLBMZIGGA-MFKMUULPSA-N	210.317	3.093	0	50	BGAA	
CCn1ncc(-c2ccc(OC)c(C)c2)c1C	2100547519	JKJUHSWZXCZOHC-UHFFFAOYSA-N	230.311	3.195	0	50	BGAA	
CN(C(=O)c1ccccc1F)C1CCCCC1	29738	JNYRYLKPQGMNQV-UHFFFAOYSA-N	235.302	3.230	0	50	BGAA	
c1ccc([C@H]2COC3(CCCCC3)O2)cc1	402198	CQFCZQWQCFNZBM-CYBMUJFWSA-N	218.296	3.435	0	50	BGAA	
CCCC[C@H](CC)CNC(=O)c1ccco1	4666291	VULHXNHATFVQNP-NSHDSACASA-N	223.316	3.226	0	50	BGAA	
COc1ccc(COc2ccc(C=O)cc2)cc1	6793585	HHHSHAZGHYCUPP-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	
COc1ccc2ccccc2c1CNC(C)C	10436114	GBJDKSSJZJXRKK-UHFFFAOYSA-N	229.323	3.346	0	50	BGAA	
CCCSc1nc2cc(C)ccc2[nH]1	13063411	PHYVVGSMMZPGII-UHFFFAOYSA-N	206.314	3.373	0	50	BGAA	
Nc1ccc(Oc2cccc(F)c2)c(F)c1	14630671	LTSPBCBEKNXKOB-UHFFFAOYSA-N	221.206	3.339	0	50	BGAA	
CCOC(=O)[C@@H](C)Sc1ccc(C)cc1	38813093	CGHDPXUTCLSRIX-SNVBAGLBSA-N	224.325	3.039	0	50	BGAA	
CSc1ccccc1-c1cncc(C(=O)O)c1	65347857	JWTQHAHPYZFVKZ-UHFFFAOYSA-N	245.303	3.169	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)N1CCC[C@@H]1c1ccncc1	72211027	JERJWJYZAWNCDM-GFCCVEGCSA-N	248.326	3.154	0	50	BGAA	
C[C@@H]1CC(C)(C)O[C@@H]([C@@H]2CC=CCC2)O1	169705082	YVPPRQDLDOPKFY-UTUOFQBUSA-N	210.317	3.273	0	50	BGAA	
FCc1ccc(Br)cc1F	218470683	YIXBEGYNCUAPIE-UHFFFAOYSA-N	207.017	3.058	0	50	BGAA	
CCCOc1c(Cl)cc(O)cc1OCC	261494248	SRKDEOGMBUUCFV-UHFFFAOYSA-N	230.691	3.233	0	50	BGAA	
N[C@@H](c1ccsc1)C1(O)CCCCCCC1	958528726	SOJCSSAKDAIMKZ-LBPRGKRZSA-N	239.384	3.223	0	50	BGAA	
COc1ccc(-c2cn3cccc(C)c3n2)cc1	301918	YORHTJHBWSDUCE-UHFFFAOYSA-N	238.290	3.318	0	50	BGAA	
ClC(Cl)(Cl)c1nc2ccccc2[nH]1	2164373	ZVFSYTFFWGYEMM-UHFFFAOYSA-N	235.501	3.390	0	50	BGAA	
CCCc1nnc(S)n1[C@H](C)c1ccccc1	6400106	DCTCVDYHFCCCKC-SNVBAGLBSA-N	247.367	3.129	0	50	BGAA	
COc1ccc(C(=S)NC2CCCCC2)cc1	8682661	DWSWSMYKBIKIDC-UHFFFAOYSA-N	249.379	3.293	0	50	BGAA	
Cc1ccc(F)c(/C=C/C(=O)OC(C)(C)C)c1	405910524	JEPOKBNYWPTHTK-SOFGYWHQSA-N	236.286	3.489	0	50	BGAA	
COC(=O)c1c2n(c3ccc(Cl)cc13)CCC2	1772820630	DYGAFNTWMUVEES-UHFFFAOYSA-N	249.697	3.028	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2nncc(C)c2C)c1	2100545233	KPIDCVAFQFYZJS-LBPRGKRZSA-N	242.322	3.468	0	50	BGAA	
C[C@@H]1C[C@@H](NC(=O)C2CCC2)CC(C)(C)C1	355250	ZFQBCIVKMLSSHD-ZYHUDNBSSA-N	223.360	3.118	0	50	BGAA	
CC[C@@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)O	2557822	SBQVJRJGCJTRLY-SNVBAGLBSA-N	242.702	3.199	0	50	BGAA	
CC(C)Sc1nnc2c(n1)[nH]c1ccccc12	3188379	WEKJOMDTRLOCBC-UHFFFAOYSA-N	244.323	3.007	0	50	BGAA	
CCN(C(=O)c1ccco1)c1cccc(C)c1	4820751	NPWWNLYUVPYRIS-UHFFFAOYSA-N	229.279	3.255	0	50	BGAA	
CN(C(=O)c1ccc(F)cc1F)c1ccccc1	4821366	GZNQGTACPXKGGF-UHFFFAOYSA-N	247.244	3.241	0	50	BGAA	
CCc1ccc(NC(=O)Nc2cccnc2)cc1	6715522	FBHCNIULNKYINR-UHFFFAOYSA-N	241.294	3.288	0	50	BGAA	
CCCCNC(=O)c1cccc(OCCC)c1	10471982	OBZCWCFKUGNQSH-UHFFFAOYSA-N	235.327	3.005	0	50	BGAA	
Sc1nccc(-c2ccc(Cl)cc2)n1	15924241	TWKIWOOKHPWUIM-UHFFFAOYSA-N	222.700	3.086	0	50	BGAA	in-vitro
COc1ccc(Br)cc1SC	36467837	ADJYZINEAMDEFL-UHFFFAOYSA-N	233.130	3.180	0	50	BGAA	in-vitro
COc1ccc2nc(Br)ccc2c1	40434547	JPDSUWYPVSNSRM-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
CCOC(=O)[C@H](C)Sc1cccc(C)c1	43638358	FNOCQORSHOERCB-JTQLQIEISA-N	224.325	3.039	0	50	BGAA	
C[C@H]1C=CC[C@H](C)N1Cc1ccccc1	44126051	MIYBQYJPXKKNPL-STQMWFEESA-N	201.313	3.226	0	50	BGAA	
C[C@]1(Cc2ccc(F)c(Cl)c2)CCCN1	134342809	LPYMVZQWYOVQIU-GFCCVEGCSA-N	227.710	3.164	0	50	BGAA	
CC(C)N[C@@H](C)Cc1cccc2c1CCCC2	670419538	ZTKOBISATYWSAP-ZDUSSCGKSA-N	231.383	3.494	0	50	BGAA	
CCCCc1nc(O)cc(Cc2ccccc2)n1	1776004034	LLWOXZBEOZSBQA-UHFFFAOYSA-N	242.322	3.116	0	50	BGAA	
COc1ccc(C(=O)Nc2cccc(F)c2)cc1	437301	NZHDDEDWULCDED-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
CC[C@H](C)NC(=O)c1ccc2ccccc2c1	455331	SIQNBRLLLMSEHW-NSHDSACASA-N	227.307	3.368	0	50	BGAA	
CCC(=O)c1ccc(C(F)(F)F)cc1F	2169767	PDWYVBFOPQMCLP-UHFFFAOYSA-N	220.165	3.437	0	50	BGAA	
Cc1ccccc1OCCCCN1CCCC1	2496737	HXFHBACJOBGZTP-UHFFFAOYSA-N	233.355	3.250	0	50	BGAA	
C[C@]1(c2ccccc2)OC(=O)[C@H]2CC=CC[C@@H]21	3882951	TYWXTPZJOBOWNJ-KCQAQPDRSA-N	228.291	3.041	0	50	BGAA	
OCc1ccc(-c2ccccc2Cl)o1	4290837	MLOIDTAKKFVGGW-UHFFFAOYSA-N	208.644	3.092	0	50	BGAA	in-vitro
CCOc1ccc(Cl)cc1[C@H]1CCCN1	6658218	LQEATBYXWOTTRX-LLVKDONJSA-N	225.719	3.163	0	50	BGAA	in-vitro
Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1	8671446	SVVXRASHNTXIFF-UHFFFAOYSA-N	248.332	3.022	0	50	BGAA	
O=C(NCc1ccc(F)cc1)Oc1ccccc1	16247701	VJSWWKRCAVYFTG-UHFFFAOYSA-N	245.253	3.114	0	50	BGAA	
CN(C(=O)Nc1ccccc1)C1CCCC1	20458293	HZMKDHPUKNUFPK-UHFFFAOYSA-N	218.300	3.093	0	50	BGAA	
CCc1ccc(CN(C)Cc2ccnc(C)c2)o1	215614679	RLJVZAOGYVUQFV-UHFFFAOYSA-N	244.338	3.177	0	50	BGAA	
CC(C)(C)OC(=O)CCCCCCCC(=O)O	221073673	YREOXBTXUJZJEC-UHFFFAOYSA-N	244.331	3.143	0	50	BGAA	
COC(=O)/C=C(\C)c1ccc(OC(C)C)cc1	310016363	HOUGHNBXNYUVGG-PKNBQFBNSA-N	234.295	3.050	0	50	BGAA	
COCCOc1ccc(-c2ncccc2C)cc1	534647939	WAPGFPDHJWMBKI-UHFFFAOYSA-N	243.306	3.082	0	50	BGAA	
CCOCCN[C@H](C)c1coc2ccccc12	863982318	BRUFPYZRGUEUCF-LLVKDONJSA-N	233.311	3.120	0	50	BGAA	
C=CC(=O)Nc1ccc(F)cc1C(C)(F)F	1776004149	HENPPJIZVMEXCS-UHFFFAOYSA-N	229.201	3.062	0	50	BGAA	
Cc1cnc2n1CC[C@@H]2NC[C@H]1CCC[C@@H](C)C1	2325777878	LNNQXDDBMBTYEQ-XBFCOCLRSA-N	247.386	3.052	0	50	BGAA	
c1csc(-c2cnc3ccccc3n2)c1	40516	ADGDUIDDAMQKAG-UHFFFAOYSA-N	212.277	3.358	0	50	BGAA	
CC(=O)Nc1ccc(Cl)c2ccccc12	196922	NGTPLDREKGPIHA-UHFFFAOYSA-N	219.671	3.452	0	50	BGAA	
Cc1ccc(-c2cc3nc(C)cc(C)n3n2)cc1	233463	UVVMCIKINUABHH-UHFFFAOYSA-N	237.306	3.322	0	50	BGAA	
Sc1nnc(Cc2cccc3ccccc23)o1	233941	YLRFXLNGPBLJIH-UHFFFAOYSA-N	242.303	3.102	0	50	BGAA	
Cc1ccccc1NC(=O)C1[C@H]2CCCC[C@H]12	300886	KDKAQQOPQDYKCS-RYUDHWBXSA-N	229.323	3.370	0	50	BGAA	
O=C(CC1CCCCC1)NCc1ccc(F)cc1	859256	KUUFIEGMAAAYHB-UHFFFAOYSA-N	249.329	3.412	0	50	BGAA	
Cc1ccc2c(c1)N[C@@H](C(C)(C)C)CO2	1392411	KACIGXXYHOZGNQ-GFCCVEGCSA-N	205.301	3.214	0	50	BGAA	
CSc1c(Cl)cc(Cl)cc1C(=O)O	1657323	QLZIZSLVDDPCCP-UHFFFAOYSA-N	237.107	3.414	0	50	BGAA	
FC(F)(F)c1cc(Cl)nc(Cl)c1	2584293	KVNQWVYYVLCZKK-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
CCOC(=O)c1cc2cccc(C)c2nc1C	3055712	BRUBNQYCJAIYMR-UHFFFAOYSA-N	229.279	3.028	0	50	BGAA	in-vitro
CCC(=O)Nc1ccc(C)cc1Br	3103915	ADETYDUBFDREDZ-UHFFFAOYSA-N	242.116	3.106	0	50	BGAA	
Cc1ccc(/C=C/n2nnc3ccccc32)cc1	5380197	NICIUWAEVFIPSS-ZHACJKMWSA-N	235.290	3.368	0	50	BGAA	
COc1cccc(C(F)(F)F)c1Cl	12359266	KVAHJTNAVKFFGK-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	
Fc1cc(Br)c2cc[nH]c2c1	14983310	DMOWKZSCECYXSE-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
O=[S@](c1ccccc1)C(Cl)(Cl)Cl	45069265	FJRVGGPNZINHSV-LBPRGKRZSA-N	243.542	3.122	0	50	BGAA	
CCC(=O)C[C@@]12C(=O)CC(C)(C)[C@@H]1CC[C@@H]2C	71786139	ULFDHDGUBORFPA-WBIUFABUSA-N	236.355	3.387	0	50	BGAA	
Clc1nc2ncccc2cc1Br	79065355	CCMZDIDDMIQLJS-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
CCCN[C@@H](CCC)C(=O)c1ccccc1	238250934	XRDFYYCTRQFMQB-ZDUSSCGKSA-N	219.328	3.038	0	50	BGAA	in-vitro
Oc1cc(CN2CCCCC2)ccc1Cl	258053236	FSZJTLYLVGGZHH-UHFFFAOYSA-N	225.719	3.032	0	50	BGAA	
CSCc1ccc(-c2cccc(CO)c2)nc1	426431051	KFBRHDAHGHCKBT-UHFFFAOYSA-N	245.347	3.104	0	50	BGAA	
O=Cc1cc(-c2cccc(O)c2F)cs1	725270324	GIXVLCCXUAJPAX-UHFFFAOYSA-N	222.240	3.072	0	50	BGAA	
COc1cc(F)cc(-c2cccc3[nH]ncc23)c1	1240312771	PRLJYSSRUXAZLN-UHFFFAOYSA-N	242.253	3.378	0	50	BGAA	
Cc1ccccc1NCc1ccc2nonc2c1	2325759383	AAVJHDUTTPMDRB-UHFFFAOYSA-N	239.278	3.143	0	50	BGAA	
Cc1cccc(C)c1NC1=NCCCS1	2248	BPICBUSOMSTKRF-UHFFFAOYSA-N	220.341	3.208	0	50	BGAA	biogenic,in-man
O=C1CCCc2[nH]nc(-c3ccc(Cl)cc3)c21	106120	XIQOPLQYUOYTEB-UHFFFAOYSA-N	246.697	3.249	0	50	BGAA	
CC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1	150122	XINUUJOQMCXDOO-UHFFFAOYSA-N	241.294	3.040	0	50	BGAA	
CSc1nnc(-c2ccc(C)cc2)s1	394996	NCQCGMKVBVCOJR-UHFFFAOYSA-N	222.338	3.235	0	50	BGAA	
Cc1cc(F)ccc1NCc1ccccn1	438027	BHRGEZUMZWOQNO-UHFFFAOYSA-N	216.259	3.141	0	50	BGAA	
Brc1ccc(N2CCCC2)cc1	2526701	BVEGBJXZICCEQW-UHFFFAOYSA-N	226.117	3.049	0	50	BGAA	in-vitro
Cc1cccc(COc2ccccc2C=O)c1	2566653	QASXPGKWGYAJHN-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
COC(=O)c1cc(Cl)c2ccc(C)c(C)c2n1	38537303	VZYCKZKXAVZPOB-UHFFFAOYSA-N	249.697	3.292	0	50	BGAA	in-vitro
CC[C@@H]1C=CCN1C(=O)Nc1ccccc1F	97425181	ATAZWAIIJBIKKQ-SNVBAGLBSA-N	234.274	3.008	0	50	BGAA	
Cc1cc(C2CC2)ncc1Br	139855723	VBRYULANOSLPSP-UHFFFAOYSA-N	212.090	3.030	0	50	BGAA	
COC(=O)c1cc2cc(Cl)c(Cl)cc2[nH]1	259334618	GVCXKLXGHGOYOZ-UHFFFAOYSA-N	244.077	3.261	0	50	BGAA	
C[C@@]1(C(=O)N2CC(C3CCCC3)C2)C[C@@H]2C[C@@H]2C1	334348468	YWQADHBDHJLTTJ-VIKVFOODSA-N	247.382	3.071	0	50	BGAA	
Fc1ccc(CN2CCC23CCCCC3)cn1	368470625	MWIAYUBULBQWIR-UHFFFAOYSA-N	234.318	3.129	0	50	BGAA	
O=C(c1ccc(-c2cncnc2)cc1)C1CCC1	426496935	PBRMAIHSNXXOCB-UHFFFAOYSA-N	238.290	3.126	0	50	BGAA	
Cc1[nH]nc(C(C)C)c1-c1cccc(CO)c1	426531027	VDLFNGZMGGCKMK-UHFFFAOYSA-N	230.311	3.001	0	50	BGAA	
CC1=NO[C@H](CN[C@@H](c2ccccc2)C(C)C)C1	1616178105	WIXBVZYZYMUIOZ-LSDHHAIUSA-N	246.354	3.138	0	50	BGAA	
O=C(Cc1cccs1)Nc1ccccc1F	30499	XNLZAHXIARXVLQ-UHFFFAOYSA-N	235.283	3.068	0	50	BGAA	
CC[C@H](C)SCc1cc(C(=O)O)oc1C	36712	BLQZTMZQZKDDTO-ZETCQYMHSA-N	228.313	3.318	0	50	BGAA	
O=C(O)c1ccccc1Nc1ccccc1F	72662	NKJTXYMGRFCARD-UHFFFAOYSA-N	231.226	3.268	0	50	BGAA	in-vitro
C[C@H](CC(=O)N1CCCCC1)c1ccccc1	318752	UFFWJAOQBZBQKJ-CYBMUJFWSA-N	231.339	3.193	0	50	BGAA	
C[C@@H]1C[C@@H](C)CN(C(=O)NC2CCCCC2)C1	1164559	RODOJLDNWXICNZ-VXGBXAGGSA-N	238.375	3.007	0	50	BGAA	
CC(=O)O[C@@H](C)C[C@@H](C)CC(C)(C)C	2267883	NBDTZVVEDLDLSG-ZJUUUORDSA-N	200.322	3.400	0	50	BGAA	
CC(C)(C)c1ccc([C@@H]2CCCN2)cc1	2582575	JFBLTILAHRPXNP-ZDUSSCGKSA-N	203.329	3.409	0	50	BGAA	in-vitro
CCC[C@@H](C)C(=O)N(CC)c1ccccc1	2734470	ITUGGQYXGKNPGC-GFCCVEGCSA-N	219.328	3.476	0	50	BGAA	
Cc1c(O)ccc(NC(=O)c2ccccc2)c1C	4269724	PJJGDOREOJMMLP-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
O=C(O)c1ccccc1-c1ccccc1F	4299204	DGATZLSIKFSWDE-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
Cc1ccc(O[S@](=O)c2ccccc2)cc1	4800928	YGXMNNJWDHRTFO-MRXNPFEDSA-N	232.304	3.097	0	50	BGAA	
CCC[C@@H](C(=O)c1ccccc1)N1CCCC1	13682037	YDIIDRWHPFMLGR-AWEZNQCLSA-N	231.339	3.134	0	50	BGAA	biogenic,in-vivo
COc1c(C(=O)O)cccc1-c1ccccc1	20442966	QSWAQPRAAPLFHY-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
CN(C)/C=C1/C=C2C[C@H]3C[C@@H](C2=C1)C3(C)C	43762759	YDEBUWBDKKVEIK-OPLMWYLZSA-N	215.340	3.364	0	50	BGAA	
CC[C@@H]1CCCN(Cc2cc(OC)ccn2)CC1	117343364	WOQNZZRJICVVSK-CYBMUJFWSA-N	248.370	3.102	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@@H](C)C[C@H]1C	757216214	YXKAOYDFFNYIMB-ZVWUFJHRSA-N	243.354	3.178	0	50	BGAA	
CCN(CCC=C(C)C)C[C@H]1CCN(CC)C1	1506414609	QXARVZKQQOAPDA-OAHLLOKOSA-N	238.419	3.006	0	50	BGAA	
Cc1cc(-c2csc(N)n2)cc(C)c1C	91735	WJJYHWPXWZMARC-UHFFFAOYSA-N	218.325	3.318	0	50	BGAA	
Cc1nc(NC(=O)/C=C/c2ccco2)sc1C	474076	JJCHYXQSEIAGMN-AATRIKPKSA-N	248.307	3.005	0	50	BGAA	
CC(C)(c1ccccc1)N1CCCCC1	3619859	HORGQLWAZQOQNU-UHFFFAOYSA-N	203.329	3.408	0	50	BGAA	in-vitro
C[C@@H](NC(=O)CC1CCCC1)c1ccccc1	8723343	XULZSXVEHUUOGA-GFCCVEGCSA-N	231.339	3.444	0	50	BGAA	
C(=C/c1ccccc1)\Cn1nnc2ccccc21	15773420	PQPCHTMCPBJSDQ-RMKNXTFCSA-N	235.290	3.145	0	50	BGAA	
CCC(=O)Nc1ccc(C(C)(C)C)cc1C(=O)O	16623532	NRKKWKJHDCALAA-UHFFFAOYSA-N	249.310	3.031	0	50	BGAA	
Nc1ncc(-c2ccc(Cl)cc2)s1	38068925	AABPJRCTFLZVAL-UHFFFAOYSA-N	210.689	3.046	0	50	BGAA	in-vitro
c1ccc([C@H]2CCCN2C2CCSCC2)nc1	65504768	DVNTYNRRGOZVBW-CQSZACIVSA-N	248.395	3.114	0	50	BGAA	
OCc1ccccc1-c1cccc2cccnc12	65525780	LGSXNVOAMFVYTR-UHFFFAOYSA-N	235.286	3.394	0	50	BGAA	
Cc1cc([C@H](C)NC(=O)[C@H]2C[C@H]2C)c(C)s1	249040356	BPOBANDWSOMMNC-HDBBIHSSSA-N	237.368	3.198	0	50	BGAA	
C[C@@H]1CCN(Cc2ccno2)[C@@H](c2ccco2)C1	257365164	PUJZYNPVIGHGHJ-DGCLKSJQSA-N	246.310	3.241	0	50	BGAA	
CC(C)NC(=O)Nc1ccc(C(C)C)cc1	392914	OHKCVYRQKKMUMO-UHFFFAOYSA-N	220.316	3.340	0	50	BGAA	
CC(=O)Nc1cccc(OCc2ccccc2)c1	394973	PDNSFYMVNJVMGR-UHFFFAOYSA-N	241.290	3.224	0	50	BGAA	
CO[C@@H](c1ccccc1)[C@H](O)c1ccccc1	405271	DAUUWYCGIFAYBG-CABCVRRESA-N	228.291	3.108	0	50	BGAA	
CCC(CC)C(=O)Nc1ccc(C(C)=O)cc1	453079	AXBJBZRINDBYKD-UHFFFAOYSA-N	233.311	3.264	0	50	BGAA	
C/C(=C\C(=O)Nc1cc(C)on1)c1ccccc1	467035	PEFNMKYDZNYGDS-CSKARUKUSA-N	242.278	3.025	0	50	BGAA	
O=C(O)c1cc(C2CCCCC2)ccc1O	5567765	GZEPXNUXMPYSOQ-UHFFFAOYSA-N	220.268	3.138	0	50	BGAA	in-vitro
Cc1ccc(-n2c(C3CC3)n[nH]c2=S)c(C)c1	5687720	JGAPHJWUAOUHNU-UHFFFAOYSA-N	245.351	3.424	0	50	BGAA	
CCc1cccc(NC(=O)Cc2cccs2)c1	6356375	XNJLOVSMCXKWQH-UHFFFAOYSA-N	245.347	3.492	0	50	BGAA	
Oc1ccc(-c2c(F)cccc2F)cc1	65339971	NHBBHSPCHOHTDG-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	
C[C@@H]1CC[C@H](c2nc(C3CCCCC3)no2)O1	129161280	AOHNXWFGXOBKFJ-MWLCHTKSSA-N	236.315	3.357	0	50	BGAA	
CCOc1ccc(OCC(=O)C2CCCC2)cc1	158200484	YXIWJRVBODFQTG-UHFFFAOYSA-N	248.322	3.223	0	50	BGAA	
CCCCCOc1ccc(Br)nc1	216706883	DBSSHSZZCVYHCV-UHFFFAOYSA-N	244.132	3.413	0	50	BGAA	
CCCOc1ncnc2sc3c(c12)CCCC3	1875231	SGIPOCQCISNBIF-UHFFFAOYSA-N	248.351	3.359	0	50	BGAA	
O=Cc1ccc(-c2ccc(Cl)cc2)nc1	2527554	HOVVTYCGELZQHF-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	in-vitro
CC(C)(C)OC(=N)C(Cl)(Cl)Cl	2555142	CQXDYHPBXDZWBA-UHFFFAOYSA-N	218.511	3.149	0	50	BGAA	
Clc1cc(Cl)cc([C@@H]2CCCN2)c1	2583832	RGJUGOHYPAYSDI-JTQLQIEISA-N	216.111	3.418	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1cccc2c1CCCN2	4202484	MMVRSCVUIGOYJF-UHFFFAOYSA-N	248.326	3.392	0	50	BGAA	
CC[n+]1ccccc1/C=C/c1ccc(C)cc1	4774997	IGEMHQJCHFIMCD-VAWYXSNFSA-N	224.327	3.473	0	50	BGAA	
CC(=O)c1cc(F)c(C(F)(F)F)c(F)c1	40448128	RALJIWTUZNHFGT-UHFFFAOYSA-N	224.128	3.186	0	50	BGAA	in-vitro
CC1=CC[C@@]23CCC[C@@]12[C@@H](O)CC3(C)C	43762165	UQFWXNLHZNDNJG-YUTCNCBUSA-N	206.329	3.284	0	50	BGAA	
CCCn1ncnc1-c1ccc([C@H](C)OC)cc1	96153443	STOLPXBFDTXEEZ-NSHDSACASA-N	245.326	3.063	0	50	BGAA	
COc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1	239378246	OLXZTVLJOVOAII-WDNDVIMCSA-N	245.322	3.070	0	50	BGAA	
S=C(S)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	242620172	PWLXJBSAUKKGCM-GRDBIXFFSA-N	228.382	3.042	0	50	BGAA	in-vitro
CC(=O)c1ccc(F)c(OC(F)(F)F)c1F	604221591	KYLBTTXATZEQGA-UHFFFAOYSA-N	240.127	3.066	0	50	BGAA	
C=CC(=O)N[C@@H](c1ccc(Cl)cc1)C1CC1	888093238	KILWJUMCLIEIEY-CYBMUJFWSA-N	235.714	3.093	0	50	BGAA	
COc1ccc(-c2ccc(F)c(C)n2)cc1OC	1250486868	BYAIKSKIMAKAGX-UHFFFAOYSA-N	247.269	3.213	0	50	BGAA	
Fc1cccc(Nc2ncc(Cl)cn2)c1	1875322385	QREIMDICHHQUCJ-UHFFFAOYSA-N	223.638	3.013	0	50	BGAA	
Clc1ccc(NCCc2ccccn2)cc1	396782	GUMXXPZDMLXNMS-UHFFFAOYSA-N	232.714	3.390	0	50	BGAA	
CC(C)[C@H](C(=O)O)c1ccc(Cl)cc1	403986	VTJMSIIXXKNIDJ-JTQLQIEISA-N	212.676	3.164	0	50	BGAA	in-vitro
CN(Cc1cccnc1)C[C@@H]1CC12CCCC2	19841297	HLUSIVDWSUWUFF-AWEZNQCLSA-N	230.355	3.094	0	50	BGAA	
COc1ccc(CCNCc2cccs2)cc1	19871791	LVVGQVHMJWBGLQ-UHFFFAOYSA-N	247.363	3.089	0	50	BGAA	
O=Cc1sc(-c2ccc(F)cc2)nc1Cl	43179094	CXOOWOCARZLIEV-UHFFFAOYSA-N	241.674	3.415	0	50	BGAA	
COC(=O)c1cc(-c2cccs2)ccc1F	97757246	PEOWSVHHNFNXQU-UHFFFAOYSA-N	236.267	3.341	0	50	BGAA	
CC[C@@H](C(=O)N1CCC(C)CC1)c1ccccc1	30784	PDNOWSZGNVOOPG-OAHLLOKOSA-N	245.366	3.439	0	50	BGAA	
CCCCOC(=O)Nc1ccccc1F	1770669	XSSUKCMTMCZCRF-UHFFFAOYSA-N	211.236	3.174	0	50	BGAA	
CC(C)CC(=O)NCCCCc1ccccc1	2748513	FYVCBBQXKLQTHA-UHFFFAOYSA-N	233.355	3.172	0	50	BGAA	
COc1cccc(NC(=O)c2ccccc2F)c1	2995947	YMPCJHXUEDAZST-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
Cc1cccc([C@H](O)c2cccc(F)c2)c1	4255953	WBTXAGJWSDTISI-AWEZNQCLSA-N	216.255	3.216	0	50	BGAA	
O[C@@H]1CCCCCc2ccc(cc2)CCC1	4530399	QYPULOGCXZHATA-OAHLLOKOSA-N	218.340	3.487	0	50	BGAA	
CC(C)NC(=O)CCc1ccc(C(C)(C)C)cc1	10328529	JXXSEVYPKJAEBG-UHFFFAOYSA-N	247.382	3.441	0	50	BGAA	
CC(C)c1n[nH]c(=S)n1-c1ccc(F)cc1	15107749	YPZMZNBGIJIDCW-UHFFFAOYSA-N	237.303	3.192	0	50	BGAA	
O=C1CC[C@H](c2ccccn2)c2ccccc21	96027287	BGLQLDWUMGHMAX-LBPRGKRZSA-N	223.275	3.190	0	50	BGAA	
O=Cc1ccc(OC(F)F)c(Cl)c1Cl	263624285	OYVZZKQCDTUDDL-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
C[C@@H](Oc1ccccc1)c1cnc2ccccn12	1225195710	SOWYEXIRJJXFQM-GFCCVEGCSA-N	238.290	3.474	0	50	BGAA	
S=C(NC1CCCCC1)NC1CCCCC1	136162	KAJICSGLHKRDLN-UHFFFAOYSA-N	240.416	3.116	0	50	BGAA	biogenic
Brc1ccc2ncsc2c1	158620	YJOUISWKEOXIMC-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
O=C1Nc2ccccc2C1=C1CCCCC1	198855	YTVASLXWQBEYDX-UHFFFAOYSA-N	213.280	3.356	0	50	BGAA	biogenic
Cc1cc(C[C@H](C)CC(C)(C)C)n(O)c(=O)c1	2020088	OIQJEQLSYJSNDS-NSHDSACASA-N	237.343	3.009	0	50	BGAA	in-man
Cc1n[nH]c(C)c1CCCOc1ccccc1F	2494502	SIXWAFDHGGAHMK-UHFFFAOYSA-N	248.301	3.177	0	50	BGAA	in-vitro
CCCCn1c(-c2ccccc2)n[nH]c1=S	2866291	YBXVDDJJTWCFLM-UHFFFAOYSA-N	233.340	3.408	0	50	BGAA	
Clc1ccc(C[C@H]2CCCN2)cc1Cl	3732400	QDAOUERSYUOTTJ-SECBINFHSA-N	230.138	3.288	0	50	BGAA	in-vitro
CCC(=O)Nc1nc2cc(Cl)ccc2s1	8560638	CRDDKHZEAMELGC-UHFFFAOYSA-N	240.715	3.298	0	50	BGAA	
CCOc1cccc(NC(=O)C(C)(C)C)c1	9816717	XJMWXSPRXRAVDK-UHFFFAOYSA-N	221.300	3.070	0	50	BGAA	
CCC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	14860465	FAFMZORPAAGQFV-OUJBWJOFSA-N	210.317	3.154	0	50	BGAA	endogenous,in-man
CCC1=N[C@@H](c2ccccc2OC)N(O)C1(C)C	19607602	QYNHGUMKAKHBQV-CYBMUJFWSA-N	248.326	3.028	0	50	BGAA	
CCCOc1ccc(C(C)=O)cc1Cl	20134178	PALPJDHZBGLTEJ-UHFFFAOYSA-N	212.676	3.331	0	50	BGAA	in-vitro
Cc1c(NC(=O)C(C)(C)C)ccnc1Cl	39961273	WICFYEIKXTVWJR-UHFFFAOYSA-N	226.707	3.028	0	50	BGAA	in-vitro
COc1ccc(Cc2nc(C)cs2)cc1OC	157988445	ZZRLCQGFECHEMI-UHFFFAOYSA-N	249.335	3.060	0	50	BGAA	
O=Cc1ccc(O[C@@H]2C[C@H]2c2ccccc2)cc1	170598588	VXDMJAYTTSOTNK-JKSUJKDBSA-N	238.286	3.434	0	50	BGAA	
CC(=O)c1cc(C(F)(F)F)c(F)cc1F	238129091	ICSLKBMBPJFOOT-UHFFFAOYSA-N	224.128	3.186	0	50	BGAA	
FC(F)(F)c1nc2ccccc2nc1Cl	158118	DSMMAQWRRJQVTQ-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	
CCC(CC)NC(=O)[C@@H](CC)c1ccccc1	2191069	UGXVBLICMPCFQL-AWEZNQCLSA-N	233.355	3.485	0	50	BGAA	
COc1ccc(Cl)cc1Br	2568088	YJEMGEBDXDPBSP-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	
O=C(NCCCCc1ccccc1)C1CCCC1	2743099	UHIYWACFSPAVMM-UHFFFAOYSA-N	245.366	3.316	0	50	BGAA	
O=C(O)c1ccccc1NCc1cccs1	4413489	UUIJUBCAVOCEEX-UHFFFAOYSA-N	233.292	3.058	0	50	BGAA	
CCCCc1c(C)[nH]c2c(OC)cccc2c1=O	5690437	REEHNWBVMQMHCR-UHFFFAOYSA-N	245.322	3.188	0	50	BGAA	
COc1ccc(Cl)cc1-c1n[nH]c(=S)o1	6492170	FOBNNSSNVSMNMG-UHFFFAOYSA-N	242.687	3.061	0	50	BGAA	
Fc1ccc(N[C@H]2CCCN(C3CCC3)C2)cc1	12297156	BAYRCVNISRRATI-AWEZNQCLSA-N	248.345	3.255	0	50	BGAA	
COc1cccc(-c2nc3ccc(N)cc3o2)c1	20423994	MQXWPPVVKWYMEZ-UHFFFAOYSA-N	240.262	3.086	0	50	BGAA	in-vitro
CC(C)Cn1cnc2cnc3ccccc3c21	21989595	CXYOCSTZCULCAE-UHFFFAOYSA-N	225.295	3.241	0	50	BGAA	in-vitro
Cc1ccc(C(F)(F)F)c(C(F)(F)F)n1	30718796	TVSKSASIHFEAQQ-UHFFFAOYSA-N	229.123	3.428	0	50	BGAA	
C[C@H]1CCC[C@H](Nc2ccccc2C(=O)O)C1	36891535	DAYHSSLFIGVUKJ-QWRGUYRKSA-N	233.311	3.375	0	50	BGAA	
Cc1cccc2nc(Cl)nc(Cl)c12	38540032	FRACICBEYHVBJZ-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	
Cc1ccc(F)cc1-c1cccc(CCN)c1	67675899	MXAJAEOUQQPLSJ-UHFFFAOYSA-N	229.298	3.302	0	50	BGAA	
Clc1nccc2cc(Br)cnc12	95642687	DSPVDMUXVYEYPP-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C	225246999	RLMYEIVFCGMENJ-YDHLFZDLSA-N	243.350	3.222	0	50	BGAA	
CC(=O)c1c(F)ccc(C(F)(F)F)c1F	238121513	YCSWEAQKFAHIRJ-UHFFFAOYSA-N	224.128	3.186	0	50	BGAA	
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1cccs1	248534758	WDWJBOGZZNMPDN-MXWKQRLJSA-N	235.352	3.068	0	50	BGAA	
CC1(C)CCc2oc(Br)cc2C1=O	257803524	VHGMPIAHCWBUBY-UHFFFAOYSA-N	243.100	3.197	0	50	BGAA	
Cc1cc(F)cc(-c2noc([C@@H]3CCCO3)n2)c1	273639706	BTMXEUJABJBSJR-NSHDSACASA-N	248.257	3.036	0	50	BGAA	
CSC[C@H](C)NCCCOC1CCCCC1	534651709	IMPRXAVFBBOGLI-LBPRGKRZSA-N	245.432	3.067	0	50	BGAA	
Cc1ccc(S(=O)c2ccc(C)cc2)cc1	13560	MJWNJEJCQHNDNM-UHFFFAOYSA-N	230.332	3.470	0	50	BGAA	
Cc1cccn2cc(-c3ccc(F)cc3)nc12	314971	UDBRHPCMIXCPEW-UHFFFAOYSA-N	226.254	3.449	0	50	BGAA	
Cc1ccccc1C(=O)N(C)C1CCCCC1	409400	CPHZZVCUYLOGKJ-UHFFFAOYSA-N	231.339	3.400	0	50	BGAA	
c1ccc(COCCOCc2ccccc2)cc1	1648328	FPFHYKOBYMYVAN-UHFFFAOYSA-N	242.318	3.420	0	50	BGAA	in-vitro
CCN(CC)CCCOc1ccccc1C	2848621	PVPYSZHAYDNLPL-UHFFFAOYSA-N	221.344	3.106	0	50	BGAA	
Fc1cc(F)c(F)c(C(F)F)c1F	3165308	MOCZXVUFKPNTBF-UHFFFAOYSA-N	200.081	3.181	0	50	BGAA	
Cc1c(Cl)cccc1-n1cccc1C(=O)O	12404794	MWDPXFPYQRDGTK-UHFFFAOYSA-N	235.670	3.137	0	50	BGAA	
Cc1ccc(C(=O)O)cc1NC(=O)CC(C)(C)C	13322625	IQZBVCIRKSIHQY-UHFFFAOYSA-N	249.310	3.068	0	50	BGAA	in-vitro
CCCC[C@H]1CN(C)CC[C@@]1(O)c1ccccc1	16310502	QSWUHCIUQIOCAM-JKSUJKDBSA-N	247.382	3.016	0	50	BGAA	
Brc1cccc(OCC2CC2)c1	36765371	QYVPRMAOEXVFHH-UHFFFAOYSA-N	227.101	3.238	0	50	BGAA	in-vitro
CCOC(COc1cccc(Cl)c1)OCC	39260735	GQSAPJZWLBMQFN-UHFFFAOYSA-N	244.718	3.118	0	50	BGAA	
Cc1cnc(Cl)cc1NC(=O)OC(C)(C)C	95616457	UEUZXSSXADYLRV-UHFFFAOYSA-N	242.706	3.390	0	50	BGAA	
c1ccc2c(c1)O[C@@H]1O[C@@H]2Oc2ccccc21	100122929	KNSJCCNMJYXLOL-OKILXGFUSA-N	226.231	3.185	0	50	BGAA	
COc1ccc(N([O])c2ccc(OC)cc2)cc1	100709674	NJQKHLCMLSKSKD-UHFFFAOYSA-N	244.270	3.187	0	50	BGAA	
CCN(C(=O)OC(C)(C)C)c1cccc(O)c1	140156974	IYCWELNZWGONNA-UHFFFAOYSA-N	237.299	3.154	0	50	BGAA	
CC(C)C(=O)N1CCC[C@@]1(C)Cc1ccccc1	184015497	AJCDZKGPAOBYKL-INIZCTEOSA-N	245.366	3.266	0	50	BGAA	
CCOP(=O)(OCC)[Si](C)(C)C	195940759	VSZFYBLSMQWXDL-UHFFFAOYSA-N	210.286	3.087	0	50	BGAA	
C[C@H]1CC[C@@H](n2cc(-c3cccs3)nn2)C1	585124319	YHUWOBQRZZYTPH-VHSXEESVSA-N	233.340	3.368	0	50	BGAA	
Oc1cccc(Nc2ncnc3ccccc23)c1	65029	BLCNTDFTVUAJKY-UHFFFAOYSA-N	237.262	3.079	0	50	BGAA	
CC1CCN(C(=O)c2ccccc2Cl)CC1	126068	FIPNAPATEPODQJ-UHFFFAOYSA-N	237.730	3.212	0	50	BGAA	
c1ccc2sc(N3CCCCC3)nc2c1	400145	FKZMOBHJSKHLCS-UHFFFAOYSA-N	218.325	3.287	0	50	BGAA	
c1ccc(-c2noc(CC3CCCCC3)n2)nc1	529286	IUTRQTYVWSUSJZ-UHFFFAOYSA-N	243.310	3.254	0	50	BGAA	
CC[C@H](C)Cn1c(CCCO)nc2ccccc21	12438436	NCXQKMWGWRMQPP-LBPRGKRZSA-N	246.354	3.007	0	50	BGAA	
CC(C)N(C)Cc1cccc(Br)c1	32917426	RJIQCHPWEBJDCS-UHFFFAOYSA-N	242.160	3.289	0	50	BGAA	
O[C@@H]1c2ccccc2COc2ccc(Cl)cc21	59406029	KPISOXYKMBURHE-CQSZACIVSA-N	246.693	3.314	0	50	BGAA	
CC[C@@H](Nc1ncnc(C)c1C)c1nccs1	95368866	RDLRWGXLSANPAV-SNVBAGLBSA-N	248.355	3.113	0	50	BGAA	
CCC(CC)CN(C)Cc1cnc(C(C)C)nc1	443069059	OKOILPXPTNYOQK-UHFFFAOYSA-N	249.402	3.468	0	50	BGAA	
COc1ncccc1CN[C@@H](C)C1=CCCCC1	952985984	VGUKTRXDFPEJAR-LBPRGKRZSA-N	246.354	3.069	0	50	BGAA	
COc1n[nH]cc1-c1cc2c(F)cccc2s1	1875339941	DFMKIDLMDVOJIE-UHFFFAOYSA-N	248.282	3.439	0	50	BGAA	
COc1ccccc1NC(=O)c1ccc(F)cc1	64894	SLQVBINAPPSXMW-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
Cc1ccc(C(=O)Nc2ccccc2)cc1	143382	PQEOPHYIUYAVDQ-UHFFFAOYSA-N	211.264	3.247	0	50	BGAA	biogenic,in-vitro
[O-][n+]1cnc(-c2ccccc2)cc1-c1ccccc1	331493	RZLLYRFQUKPWHH-UHFFFAOYSA-N	248.285	3.049	0	50	BGAA	
O=c1nc(-c2ccccc2)sc2ccccc12	438031	XENUZRFQWYUPEZ-UHFFFAOYSA-N	239.299	3.324	0	50	BGAA	
Sc1nnc(SCc2ccccc2)s1	1299285	UBLXSSRRVRLOEO-UHFFFAOYSA-N	240.378	3.119	0	50	BGAA	
O=C(Nc1ccc2ccccc2c1)C1CC1	1738204	KFHPRCHKXCJOGX-UHFFFAOYSA-N	211.264	3.188	0	50	BGAA	
CCCCNC(=O)Nc1cccc(Cl)c1	2161842	TVVLFJCDNMLXSQ-UHFFFAOYSA-N	226.707	3.262	0	50	BGAA	
c1ccc(OCOc2ccccc2)cc1	2556923	VTXLTXPNXYLCQD-UHFFFAOYSA-N	200.237	3.102	0	50	BGAA	in-vitro
FC(F)(F)c1cc(Cl)c2nccn2c1	4024820	BWSHPRLSCABXRL-UHFFFAOYSA-N	220.581	3.007	0	50	BGAA	in-vitro
CCC(=O)c1ccc(F)c(C(F)(F)F)c1	4265250	DEKWUKRLNDKROW-UHFFFAOYSA-N	220.165	3.437	0	50	BGAA	in-vitro
Cc1cc(N)ccc1OCc1ccccc1	14630471	SPQQOHIJKCFWJF-UHFFFAOYSA-N	213.280	3.156	0	50	BGAA	in-vitro
O=C(NC1CCCC1)N1CCC[C@@H]1c1ccco1	15837981	OBDMENULULOMLL-GFCCVEGCSA-N	248.326	3.069	0	50	BGAA	
Fc1cc2ncccc2c(F)c1Br	42684381	DUAWZZRBLJDTQC-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	
CCOCc1cc(Br)cs1	43687513	YUWSQIHDUSSKRN-UHFFFAOYSA-N	221.119	3.047	0	50	BGAA	
c1cncc(OC23CC4CC(CC(C4)C2)C3)c1	65336774	BPBUMUIKZRWKMK-UHFFFAOYSA-N	229.323	3.429	0	50	BGAA	
COC(=O)c1ccc(-c2c(F)cccc2F)cc1	97756992	BLIMKJDTYOXZNC-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
Cc1cccc(C)c1NC(=O)c1ccc(N)cc1	4579	HZIWGOAXOBPQGY-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-man
Cc1ccc(C(=O)[C@@H](C)CN2CCCCC2)cc1	57519	FSKFPVLPFLJRQB-AWEZNQCLSA-N	245.366	3.300	0	50	BGAA	biogenic,world
Cc1cc(NCc2ccc(Cl)cc2)no1	76877	PJWRDXHBHDHQQD-UHFFFAOYSA-N	222.675	3.249	0	50	BGAA	
COc1ccccc1/C=C/CN1CCCCC1	219391	DJQMGZNVMINYJS-VQHVLOKHSA-N	231.339	3.194	0	50	BGAA	
Cc1ccc([C@H](CCN)c2ccco2)cc1	314674	PNKALXSRPWFOJZ-ZDUSSCGKSA-N	215.296	3.069	0	50	BGAA	
Cc1cc(C)cc(C(=O)Nc2cccc(C)n2)c1	496676	SYUCHDWFOJXAFE-UHFFFAOYSA-N	240.306	3.259	0	50	BGAA	
COc1ccc(-c2ccc(C=O)cc2)cc1	1260548	JTTIGLYPLMYHAT-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
CC[C@H](C(=O)O)c1ccc(Br)cc1	2021141	XVEFRABIRRNWFO-VIFPVBQESA-N	243.100	3.027	0	50	BGAA	
CCCNC(=O)c1cc(Cl)ccc1Cl	2744786	GIGFAGYIBITWEM-UHFFFAOYSA-N	232.110	3.133	0	50	BGAA	
CCCCCCNC(=O)[C@H]1C[C@H]1c1ccccc1	3159845	PXGCWKFAOBRYAR-GJZGRUSLSA-N	245.366	3.487	0	50	BGAA	
CSc1ncnc2c1oc1ccccc12	4106811	VEKZHIULCDKDBC-UHFFFAOYSA-N	216.265	3.098	0	50	BGAA	
CCC(CC)NC(=O)Nc1ccc(F)cc1F	6731183	FTBBEXLITBIFIG-UHFFFAOYSA-N	242.269	3.275	0	50	BGAA	
Cc1ccc(O[C@H](C(=O)O)c2ccccc2)cc1	11801845	FZOJWMLWBZBDCV-AWEZNQCLSA-N	242.274	3.200	0	50	BGAA	
O=C(c1ccc(Cl)cc1)[C@H](O)c1ccccc1	25757474	XYUKKJIDPMMCMJ-CYBMUJFWSA-N	246.693	3.256	0	50	BGAA	
Nc1ccc2[nH]c(-c3ccccc3)cc2c1	33978742	BQXQPVNUVFCTJS-UHFFFAOYSA-N	208.264	3.417	0	50	BGAA	
CC(C)(C)OC(=O)n1ccc(-c2ccccn2)c1	307737687	FXAHPGPLBBEARM-UHFFFAOYSA-N	244.294	3.333	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)C[C@H](C)N1	757209900	GPQNZHQKCHCZEH-PUYPPJJSSA-N	243.354	3.320	0	50	BGAA	
C1=C[C@@H](n2ccnc2-c2cnsc2)CCC1	1875240485	VBQJRELHYKXTNC-LLVKDONJSA-N	231.324	3.288	0	50	BGAA	
Cc1ccn2cc(-c3ccccc3)nc2c1	103719	ICCPXMKBWXGLLH-UHFFFAOYSA-N	208.264	3.310	0	50	BGAA	biogenic,in-vitro
OCCSc1ccc(Cl)cc1Cl	2383236	VGKCRGVINNANLS-UHFFFAOYSA-N	223.124	3.078	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)[C@@H]1C[C@H]1C	13325718	LXNYSNLGKLXJCK-VXNVDRBHSA-N	223.703	3.243	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(Cl)cn1	38537263	CEZBERPWXUYBQB-UHFFFAOYSA-N	228.679	3.082	0	50	BGAA	in-vitro
CN[C@H](CC1CCCCC1)C(F)(F)F	82717465	GUUMMANGLVIMRD-SECBINFHSA-N	209.255	3.107	0	50	BGAA	
OC[C@@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32	257358600	VGFGSYOSQGRUNO-HMQPTBHHSA-N	234.298	3.005	0	50	BGAA	
c1ccc([C@@H]2C[C@H]3CC4(CCCC4)N2O3)cc1	190115	QMXWPGNYNKFWCU-KBPBESRZSA-N	229.323	3.450	0	50	BGAA	biogenic
Cc1cc2cccc(Br)c2[nH]1	403423	YFEGQGALXHJBIQ-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	
Cc1occc1C(=O)NCc1cccc(Cl)c1	1053407	ASWZUSVWZLXNLE-UHFFFAOYSA-N	249.697	3.171	0	50	BGAA	
CN(C)C(=O)Oc1ccc(Cl)cc1Cl	1733816	ZYYOAHAWVWGMJY-UHFFFAOYSA-N	234.082	3.054	0	50	BGAA	
Cc1ccc(Oc2ccc(N)cc2Cl)cn1	44124244	LDXYUHNQQUNJMY-UHFFFAOYSA-N	234.686	3.418	0	50	BGAA	
O=C1CCCc2c1ccc(F)c2Br	77024706	IYENTJQOLSXUQB-UHFFFAOYSA-N	243.075	3.107	0	50	BGAA	in-vitro
COc1cc(OC)cc(-c2cc(C)nc(C)c2)c1	96150470	FUKSXSPEWBCYHU-UHFFFAOYSA-N	243.306	3.383	0	50	BGAA	
ClC1(Cl)[C@@H]2[C@H]3O[C@@H](c4ccccc43)[C@@H]21	254788296	MCKIEIUOJSYDPH-JXUBOQSCSA-N	227.090	3.233	0	50	BGAA	
CCCCC(=O)c1ccc(-c2cnn(C)c2)cc1	534653749	ONDVCGOFCVILCN-UHFFFAOYSA-N	242.322	3.460	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1cccc(OC)c1	30885	CDDHCTNROLBXOH-SNVBAGLBSA-N	221.300	3.070	0	50	BGAA	
O=C(O)/C=C/c1ccc(Cl)cc1Cl	56451	MEBWABJHRAYGFW-DUXPYHPUSA-N	217.051	3.091	0	50	BGAA	in-vitro
CCCC(=O)C1CCN(Cc2ccccc2)CC1	295480	AITVAFLFWVCWGS-UHFFFAOYSA-N	245.366	3.268	0	50	BGAA	
O[C@H](c1ccccc1)c1ccccc1Cl	397827	JGDRELLAZGINQM-CYBMUJFWSA-N	218.683	3.422	0	50	BGAA	biogenic,in-vitro
Cc1[nH]c2ccccc2c1[C@@H]1CCCN1C	2016863	CWGDEZCIDYRJGS-ZDUSSCGKSA-N	214.312	3.243	0	50	BGAA	
CCCCNCCCCOc1ccccc1	2900305	MYQAURDYZDFDDI-UHFFFAOYSA-N	221.344	3.235	0	50	BGAA	
Cc1cccc(C)c1OCCN1CCCCC1	4989983	KYAGLCWGWMIPGF-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
O=C1Nc2ccccc2C=Cc2ccccc21	5948252	DVAIOEGZPDKFKC-UHFFFAOYSA-N	221.259	3.423	0	50	BGAA	
Cc1cc(C=O)c(C)c(CN2CCCC[C@@H]2C)c1	19094340	GIJVMIAPQDLJQR-ZDUSSCGKSA-N	245.366	3.490	0	50	BGAA	
Fc1ccc2c(Br)ccnc2c1	32099840	HKBQHZQGQMDUMR-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
CC1(C)Oc2cccc3cccc(c23)O1	32199487	DICCMIKZOPPCPW-UHFFFAOYSA-N	200.237	3.347	0	50	BGAA	
CCCCCc1ccc(C(=O)O)cc1C	71773705	JVPQHWHUAYPTGQ-UHFFFAOYSA-N	206.285	3.426	0	50	BGAA	
CCc1ccc(I)c(C)c1	98179156	HNFFMNJLZFMPAN-UHFFFAOYSA-N	246.091	3.162	0	50	BGAA	
CCOc1c(F)ccc(Br)c1F	205243451	VFCHMPNTVDTBIW-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	
COc1ccc(-c2cnc(C)c(C)n2)cc1Cl	215238432	IRTRRQTZMSMVNX-UHFFFAOYSA-N	248.713	3.422	0	50	BGAA	
CCS[C@@H]1CC(=O)CC[C@@H]1C(C)C	725359475	DCGOBLWHYKDIJS-GHMZBOCLSA-N	200.347	3.133	0	50	BGAA	
COc1ccc(-c2csc(C(=O)O)c2)cc1	154270	NWNYSAILYSWCEI-UHFFFAOYSA-N	234.276	3.122	0	50	BGAA	in-vitro
CCOC(=O)c1cc(Cl)ccc1Cl	156264	JSZYWIKNIZKJAN-UHFFFAOYSA-N	219.067	3.170	0	50	BGAA	in-vitro
Cc1cc(C)cc(NC(=O)NCc2ccco2)c1	397103	LWJDKZZKMDUWQJ-UHFFFAOYSA-N	244.294	3.218	0	50	BGAA	
CCOc1ccnc2cc(Cl)ccc12	400000	LGEBVUWMJYPPSK-UHFFFAOYSA-N	207.660	3.287	0	50	BGAA	
Cn1c2ccccc2c2cc(C(=O)O)sc21	2509207	JHFVKRLBHYSSBD-UHFFFAOYSA-N	231.276	3.091	0	50	BGAA	
C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cccs1	4652606	PLSHPWORDTXRNN-MDQMCFMNSA-N	249.379	3.456	0	50	BGAA	
CCC[C@H](CC)Nc1nc(C)nc2oc(C)nc12	55271563	UNOIRBQSLUVFSH-JTQLQIEISA-N	248.330	3.225	0	50	BGAA	
Cc1ccc(-c2ccnc(C(=O)O)c2)c(C)c1	65347257	UDARWLWTCNKGBU-UHFFFAOYSA-N	227.263	3.064	0	50	BGAA	
CC1(C)C[C@H]1C(=O)Nc1ccc(F)c(F)c1F	153994728	UUOBECWJPBOLQX-LURJTMIESA-N	243.228	3.089	0	50	BGAA	
Cc1noc(C)c1[C@H](C)CNc1ccc(F)cn1	241634573	PNNKQRYFTXIUQZ-MRVPVSSYSA-N	249.289	3.041	0	50	BGAA	
CC[C@H](C)S[C@H]1CC(=O)CC[C@@H]1C	725361635	MUIYDUASWVMMID-QXEWZRGKSA-N	200.347	3.276	0	50	BGAA	
CCCn1c2c(c(=N)c3ccccc31)CCC2	362070	QVNRITZHEBJTBS-UHFFFAOYSA-N	226.323	3.019	0	50	BGAA	biogenic
C[C@@H](Cc1ccc(Cl)cc1)NCC1CC1	395182	IFPHKNRVEGIFBA-JTQLQIEISA-N	223.747	3.271	0	50	BGAA	
Cc1ccc(OC(F)(F)C(F)F)cc1	1995187	VACIXOPZIXUAKS-UHFFFAOYSA-N	208.154	3.232	0	50	BGAA	in-vitro
COc1c(F)cc(Cl)cc1Br	2527876	PPQUOMIZRVKTJM-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
OCc1ccc(/C=C/c2ccccc2)cc1	2539412	ARFYUEZWYRMBSO-VOTSOKGWSA-N	210.276	3.349	0	50	BGAA	in-vitro
COc1ccccc1COc1ccc(C=O)cc1	6794269	ZKTMNGZYMRCZOZ-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	
NCc1ccc(-c2ccccc2Cl)o1	11730410	QXAFMOCOHJXREB-UHFFFAOYSA-N	207.660	3.059	0	50	BGAA	in-vitro
CC(C)(C)c1cc(Br)ccc1N	19801588	MRHVSOBPZBXNEB-UHFFFAOYSA-N	228.133	3.329	0	50	BGAA	in-vitro
Cc1cccc(-c2ccccc2)c1C(=O)O	38844210	ZORGKHKVEAHWEJ-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	
COc1ccc(F)c(-c2ncccc2F)c1	65459635	FNJDTJYSWJMXTE-UHFFFAOYSA-N	221.206	3.035	0	50	BGAA	
Cc1cc(C2CCC2)nc(-c2cccc(O)c2)n1	71736230	HEJMPSFVDTVPNI-UHFFFAOYSA-N	240.306	3.425	0	50	BGAA	
O=Cc1cc(-c2ccccn2)ccc1Cl	167593693	VQVHESZXQHXUIL-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H]1c1ccccc1	239439295	ZSFZAGJCCWKWOT-SNPRPXQTSA-N	243.350	3.191	0	50	BGAA	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1CC1CCOCC1	253618281	HDNQYEGFDDVZLD-VHDGCEQUSA-N	237.387	3.066	0	50	BGAA	
CCCOc1ccc(Cl)c(F)c1F	261493427	ATZOOLPIMDGMLO-UHFFFAOYSA-N	206.619	3.407	0	50	BGAA	
Oc1cc(Br)cc(Cl)c1Cl	263624855	USLAKFKYMZGLHT-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	
CC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccn1	648206371	QCVDTXMYJBUYJC-RWMBFGLXSA-N	246.354	3.085	0	50	BGAA	
COc1ccc(-c2ncc3ccccn23)cc1	177330	GSTBFHPYOPODDI-UHFFFAOYSA-N	224.263	3.010	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)Nc1ccccn1	285715	LEDPUJHOWZLFHO-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	
CCC(=O)Nc1ccc(Br)c(C)c1	310255	SLWXKBPASHAZPH-UHFFFAOYSA-N	242.116	3.106	0	50	BGAA	
Cc1ccccc1[C@H](CC(C)C)C(=O)O	394123	DPEQSOBXRLFAKC-LBPRGKRZSA-N	206.285	3.209	0	50	BGAA	in-vitro
CC1CCN(c2c(N)cccc2Cl)CC1	793219	SIANBLRPQFBPBJ-UHFFFAOYSA-N	224.735	3.159	0	50	BGAA	in-vitro
Cc1ccc(Cl)c(OCCNC(C)(C)C)c1	2933457	YHBJSFJBXFWMFG-UHFFFAOYSA-N	241.762	3.415	0	50	BGAA	
COCCNc1ccc(-c2ccccc2)cc1	3080685	XEFKHFMATCQZEK-UHFFFAOYSA-N	227.307	3.412	0	50	BGAA	
Cc1ccc(C(=O)NC(C(C)C)C(C)C)cc1	4702086	OMTACMKHQMQKMR-UHFFFAOYSA-N	233.355	3.405	0	50	BGAA	
CCc1cccc(C(C)C)c1NC(=O)CC(C)=O	5667682	QUVRIBADSUXUJU-UHFFFAOYSA-N	247.338	3.290	0	50	BGAA	
CC[C@@H](C)NC(=O)Nc1ccc(C)cc1C	6730371	LGEIISXCIMYPNQ-LLVKDONJSA-N	220.316	3.223	0	50	BGAA	
CC(C)Cc1n[nH]c(=S)n1-c1ccccc1	17957863	WVXUWVDHZCIUGV-UHFFFAOYSA-N	233.340	3.128	0	50	BGAA	
Cc1ccc2cc(Br)cnc2c1	196436419	CIZXIQQLEOYMSQ-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
CC[C@@H]1OCC[C@H]1c1nnc(-c2ccccc2)o1	1875279065	KXOWVSUPMJDEPO-NEPJUHHUSA-N	244.294	3.019	0	50	BGAA	
Cc1cccc(OCCCCn2ccnc2)c1C	2496040	SWLIHCKCCHSURN-UHFFFAOYSA-N	244.338	3.359	0	50	BGAA	
CCn1c(S)nnc1-c1ccc(C(C)C)cc1	2526669	DNADHHDEAPRXAM-UHFFFAOYSA-N	247.367	3.377	0	50	BGAA	in-vitro
c1cc2c(cc1OCCNC1CCCC1)CCC2	2845176	XJXOHLMKWJBOCF-UHFFFAOYSA-N	245.366	3.086	0	50	BGAA	
Cc1ccnc(SCc2cccc(F)c2)n1	6741965	URQQDHXJSTVCRD-UHFFFAOYSA-N	234.299	3.216	0	50	BGAA	
c1ccc2c(NC[C@H]3CCCN3)cccc2c1	12404711	SRYXYJQVUDCZIG-CYBMUJFWSA-N	226.323	3.004	0	50	BGAA	in-vitro
Clc1nccc2occ(Br)c12	38540278	VJWDCUWEVVDVKR-UHFFFAOYSA-N	232.464	3.244	0	50	BGAA	in-vitro
CCSc1ccc([C@@H](O)C(F)(F)F)cc1	107773185	JISKIXBDOMOUGN-SECBINFHSA-N	236.258	3.394	0	50	BGAA	
CCCN[C@H](CCC)C(=O)c1ccccc1	238795279	XRDFYYCTRQFMQB-CYBMUJFWSA-N	219.328	3.038	0	50	BGAA	in-vitro
COc1ccc(-c2cc(C)c(C(=O)O)[nH]2)cc1C	257591554	HVVOZKTVWKBJPT-UHFFFAOYSA-N	245.278	3.005	0	50	BGAA	
Oc1cccc(-c2nccn2C2(C3CC3)CC2)c1	1857732121	CMHVWNKEXUGFCS-UHFFFAOYSA-N	240.306	3.155	0	50	BGAA	
O=Cc1ccccc1-c1ccc2ocnc2c1	1875366141	UIPGIEMEHZPRSW-UHFFFAOYSA-N	223.231	3.307	0	50	BGAA	
Cc1cc(=O)oc2ccc(C(C)(C)C)cc12	1571241	BVQZHRREUVIRFZ-UHFFFAOYSA-N	216.280	3.399	0	50	BGAA	in-vitro
CC(C)(C)[C@]1(C(F)(F)C(F)(F)F)CCCN1	4234950	GCGLXVQHXLANBF-QMMMGPOBSA-N	245.235	3.352	0	50	BGAA	
O[C@@H](c1ccccc1)c1ccc(F)c(F)c1	4254942	NWCMBBGRVWVVGB-ZDUSSCGKSA-N	220.218	3.047	0	50	BGAA	
C[C@@H]1C[C@@H](NC(=S)S)CC(C)(C)C1	6438030	GNNUYEDIHBJJLE-HTQZYQBOSA-N	217.403	3.006	0	50	BGAA	
CC[C@@H](NC(=O)c1ccc(C)o1)c1ccccc1	6731798	FYCRCNJHOSFBHT-CYBMUJFWSA-N	243.306	3.469	0	50	BGAA	
CCCN(CCC)C(=O)Nc1cccc(F)c1	6742476	JIBPDIRRLPAFTN-UHFFFAOYSA-N	238.306	3.480	0	50	BGAA	
O=C(O)c1c2c(nc3ccccc13)CCCCC2	19229888	GNZNZCXRLQTPNF-UHFFFAOYSA-N	241.290	3.202	0	50	BGAA	
COC(=O)c1cc(C(F)(F)F)ccc1Cl	20220689	ROEMPTYBFWTSSQ-UHFFFAOYSA-N	238.592	3.145	0	50	BGAA	
NC(=O)c1ccc(-c2cnc3ccccc3c2)cc1	32553512	ZJSSFDAUTGEBIO-UHFFFAOYSA-N	248.285	3.001	0	50	BGAA	
Cc1ccc(-c2nccn2CC2CC2)c(F)c1	71405874	RLUBHTHZKFXPFB-UHFFFAOYSA-N	230.286	3.408	0	50	BGAA	
Cc1c(Br)cccc1NC1CC1	145220319	QYHKJMQBGVFZGH-UHFFFAOYSA-N	226.117	3.332	0	50	BGAA	
CCSCC[C@@H](C)N(C)C(=O)C1(C)CCC1	170608841	ZJDRUSYADWKWIC-LLVKDONJSA-N	243.416	3.167	0	50	BGAA	
O=C(O)[C@@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32	257358439	UMJDXPHIAPUWGB-JODLBCSRSA-N	248.281	3.098	0	50	BGAA	
CO[C@H](C)c1ccc(-c2cnc(C)c(C)n2)cc1	426513551	FILCEEWMNTXQGT-GFCCVEGCSA-N	242.322	3.468	0	50	BGAA	
CC(C)c1cn(Cc2ccccc2)ccc1=O	1615586986	HOGWZSNECXODFH-UHFFFAOYSA-N	227.307	3.020	0	50	BGAA	
O=C(c1ccccc1)c1cc(F)ccc1F	156649	HSCUAAMDKDZZKG-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)c2ccco2)cc1Cl	311744	CZIKLJHXDRQDBO-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
CC(C)CNC(=O)CCC1CCCCC1	311994	GRLGYBLDGZSHMV-UHFFFAOYSA-N	211.349	3.119	0	50	BGAA	
C[C@@H](Oc1ccccc1)C(=O)c1ccccc1	393783	OPDGCCBFQWSSCQ-GFCCVEGCSA-N	226.275	3.337	0	50	BGAA	in-vitro
CCOC(=O)Nc1cccc2ccccc12	395060	ARNSTSIXMKZQBC-UHFFFAOYSA-N	215.252	3.408	0	50	BGAA	
CNC(=O)Nc1cc(Cl)c(Cl)cc1C	401579	JUTKJSLNTQCDSY-UHFFFAOYSA-N	233.098	3.053	0	50	BGAA	
COC(=O)c1cc2c(s1)-c1ccccc1OC2	3645794	SSWWLCIIZQNEAE-UHFFFAOYSA-N	246.287	3.094	0	50	BGAA	
CCc1ccccc1NC(=O)NC1CCCC1	6741207	LKIJLTAWBYZGIK-UHFFFAOYSA-N	232.327	3.313	0	50	BGAA	
CCc1sc(-n2cccc2)c(C(=O)O)c1C	12404894	PWNUDRJPUWSOBQ-UHFFFAOYSA-N	235.308	3.108	0	50	BGAA	
CC(C)=CC[C@](C)(CO)c1ccccc1	43214786	ZIIUMKBETGSXRY-CQSZACIVSA-N	204.313	3.293	0	50	BGAA	
CCCn1ncc2cc(Br)ccc21	65337571	RUOLNROUDXPCPF-UHFFFAOYSA-N	239.116	3.209	0	50	BGAA	in-vitro
FC(F)c1ccc(Br)s1	72236464	ZZWZXXXOTDMONE-UHFFFAOYSA-N	213.046	3.448	0	50	BGAA	
CCC(CC)Nc1ccc([S@](C)=O)cc1	132285005	UVHZNFKOGYRGEY-OAHLLOKOSA-N	225.357	3.025	0	50	BGAA	
Cc1cc(C(F)(F)F)ccc1/C=C/C(=O)O	138387704	FQWLDBCKDYMZPY-HWKANZROSA-N	230.185	3.112	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)n1c(O)cc2ccccc21	153771221	PFMUNWBSVHTBJF-UHFFFAOYSA-N	233.267	3.130	0	50	BGAA	
CCCCNc1cc(F)c(F)cc1NC(C)=O	174956554	HBLWRWVVZKORFK-UHFFFAOYSA-N	242.269	3.135	0	50	BGAA	
FC(F)c1ccc(Br)c(Cl)n1	217739209	BLLVLEFBHDUOQV-UHFFFAOYSA-N	242.450	3.435	0	50	BGAA	
CCc1ccc(-c2c(COC)n[nH]c2C)cc1	426431678	BHXAHRSVEMFJMX-UHFFFAOYSA-N	230.311	3.094	0	50	BGAA	
CC(C)(C)OC(=O)[C@@H]1CCCc2ccccc2N1	725263291	GGRFTPARZKFKJF-ZDUSSCGKSA-N	247.338	3.145	0	50	BGAA	
COc1nscc1-c1ncc(C(C)C)s1	911595631	KYMWCNGMLXFCRF-UHFFFAOYSA-N	240.353	3.399	0	50	BGAA	
CC(C)=C=CC(C)(C)[C@@H](C)NCc1ncc[nH]1	1775987160	GNUMOXRELSUGBP-GFCCVEGCSA-N	233.359	3.035	0	50	BGAA	
O=Cc1ccccc1OCCc1ccccc1	1059141	BOZPKSQHOCUCFO-UHFFFAOYSA-N	226.275	3.121	0	50	BGAA	in-vitro
CNC(=O)Oc1c(C(C)C)ccc(C)c1Cl	2017944	SJFVLRSDYVADNO-UHFFFAOYSA-N	241.718	3.490	0	50	BGAA	
CCCCNC(=O)Nc1ccc(OCC)cc1	2172421	GWTMARSMWOAXJH-UHFFFAOYSA-N	236.315	3.007	0	50	BGAA	
Fc1ccc(C(F)(F)F)c(F)c1F	2583414	KJOHHPPNYVMWRE-UHFFFAOYSA-N	200.081	3.123	0	50	BGAA	
Cc1ccc(C)c(OCCCNC(C)(C)C)c1	2904093	SUURLRIHXQTWQA-UHFFFAOYSA-N	235.371	3.460	0	50	BGAA	
CCCCNCCOc1c(C)ccc(C)c1C	2932244	TWPGIUVQWLVQFW-UHFFFAOYSA-N	235.371	3.380	0	50	BGAA	
CCCC(=O)N[C@H](C)c1ccc(C)cc1C	6742383	QHXUEHIUGPLISE-GFCCVEGCSA-N	219.328	3.281	0	50	BGAA	
C1=C(CCNCc2ccncc2)CCCC1	13717847	YZCHEEQTGDPXFI-UHFFFAOYSA-N	216.328	3.062	0	50	BGAA	
C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2Cl)C1	15417882	DEZBYVVELTVSTE-AOOOYVTPSA-N	238.762	3.405	0	50	BGAA	
Clc1ccc(CNc2ccccn2)cc1	18181459	QCRNCCIQUTVWLT-UHFFFAOYSA-N	218.687	3.347	0	50	BGAA	
O=C(O)[C@H]1CCc2ccc3cccc4c3c2[C@H]1C4	25757898	DXGZSJTVJKYPCD-STQMWFEESA-N	238.286	3.127	0	50	BGAA	
CC(C)C(=O)c1cccc(Br)c1	26896874	NHXAYTCRAVHZQZ-UHFFFAOYSA-N	227.101	3.288	0	50	BGAA	in-vitro
CC(C)Oc1cccc(CNC(=O)C(C)(C)C)c1	46656328	CPOYFBDXGYZZJY-UHFFFAOYSA-N	249.354	3.136	0	50	BGAA	
COc1cccc2ncc(Br)cc12	59870903	ZWDNTOJIDPGGDV-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
Cc1ccc2c(c1)[C@H](c1ccccc1)C(=O)O2	100284702	OKEUDFGIAMSXGC-AWEZNQCLSA-N	224.259	3.046	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)CC2=CCCC2)cn1	1857693719	JLKLVJZFIUPQGS-GFCCVEGCSA-N	244.338	3.068	0	50	BGAA	
CC[C@H](c1ccccc1)[C@@H](C)OC(C)=O	390805	SYIRNRZUHYNSKR-MFKMUULPSA-N	206.285	3.132	0	50	BGAA	
Cc1cc(F)ccc1NCc1ccco1	758863	MAYDRJROPUTKBT-UHFFFAOYSA-N	205.232	3.339	0	50	BGAA	in-vitro
C[C@@H](NC(=O)Nc1ccc(F)cc1)C(C)(C)C	6267266	OOICEELIBIVQRQ-SECBINFHSA-N	238.306	3.382	0	50	BGAA	
CCOc1cccc(NC(=O)c2cccs2)c1	9816399	UWMDSJLXTFBQHQ-UHFFFAOYSA-N	247.319	3.399	0	50	BGAA	
Cc1cccc(NC(=O)Nc2ccccn2)c1	9875899	JYUIXPIUQFCFSW-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
COc1cc(Br)c(F)cc1Cl	15442588	KHRHCBZTZQFNDK-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	in-vitro
COC(=O)[C@H](Cc1ccccc1)c1ccccc1	39310627	OUJYRAJMMUMWSQ-OAHLLOKOSA-N	240.302	3.186	0	50	BGAA	
Cc1cccnc1-c1noc(-c2ccccc2)n1	85999898	ZHKWMFUDVLEAHG-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
COC(=O)c1ccc2[nH]cc(C(C)C)c2c1	116504734	PKEMGUHPRJFIGA-UHFFFAOYSA-N	217.268	3.078	0	50	BGAA	
Cc1cnc(CNc2cc(F)ccc2C)o1	152264659	YYZWTMQZKOIXQG-UHFFFAOYSA-N	220.247	3.043	0	50	BGAA	
CCOc1cc(C=O)c(-c2nccs2)cc1C	222928018	QLXZXRQGQKYAPZ-UHFFFAOYSA-N	247.319	3.330	0	50	BGAA	
Cc1cccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)c1	239203164	RVRGKIYDOLOVIA-WDNDVIMCSA-N	229.323	3.370	0	50	BGAA	
O=C(c1ccccc1)[C@H]1O[C@H]1c1ccccc1	139132	UQGMJZQVDNZRKT-LSDHHAIUSA-N	224.259	3.009	0	50	BGAA	in-vitro
Cc1cccc(C(=O)Oc2cccc(C=O)c2)c1	2585052	CRDDGPRZCHKMSM-UHFFFAOYSA-N	240.258	3.027	0	50	BGAA	
CC(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1	5618456	NPWNUIBZQRRWAA-UHFFFAOYSA-N	243.262	3.043	0	50	BGAA	
C[C@H]1CCC[C@]2(CC(=O)c3ccc(O)cc3O2)C1	11766610	DSODKSULHXYBLA-ZUZCIYMTSA-N	246.306	3.306	0	50	BGAA	
CN(c1ccccc1)c1ccc(C=O)cc1	12504827	GDKRKWOVNXZJRF-UHFFFAOYSA-N	211.264	3.267	0	50	BGAA	in-vitro
Clc1ccncc1-c1cnccc1Cl	39598868	ZOAQFXNDAZYAPH-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
Clc1ccc(-c2cn[nH]c2)c(Cl)c1	49815270	GXXULLNMANOAKX-UHFFFAOYSA-N	213.067	3.384	0	50	BGAA	in-vitro
Nc1ccc2c(c1)Nc1ccccc1S2	71773713	BVXNSTQKLRXXEA-UHFFFAOYSA-N	214.293	3.477	0	50	BGAA	
Fc1cc(F)c(Br)c(S)c1	71792141	XWSOACIXGSWOHI-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CCC[C@@H](NC)C(=O)c1ccc2ccccc2c1	95803990	DBQUMXBQDKCIAJ-OAHLLOKOSA-N	241.334	3.411	0	50	BGAA	in-vitro
CSc1ccccc1-c1nnc2ccccn12	96150125	STPQGIKVJYIKGC-UHFFFAOYSA-N	241.319	3.118	0	50	BGAA	
CC(C)C[C@@H](C)N1CCC[C@@H](c2ccn[nH]2)C1	222095446	QULADYCSDKLJHU-CHWSQXEVSA-N	235.375	3.024	0	50	BGAA	
Cc1ccoc1CNc1nccn1CC(C)C	225516079	BMABTIUCIDSAAR-UHFFFAOYSA-N	233.315	3.053	0	50	BGAA	
Cc1ccncc1CN1CCC[C@@H]1C1CCC1	269567981	LQGSAKMDIAIQQW-OAHLLOKOSA-N	230.355	3.155	0	50	BGAA	
C[C@@H]1CCC(=O)C[C@@H]1OC1CCCCC1	725363025	WMCQHYAITSZOIQ-MFKMUULPSA-N	210.317	3.093	0	50	BGAA	
Cc1ccnc(-c2ccc(CN(C)C)s2)c1	929084815	NJMAIBFCUREUNN-UHFFFAOYSA-N	232.352	3.180	0	50	BGAA	
Cc1nc(-c2cccc(CC(=O)O)c2)sc1C	1875244224	FIRVBIZMLKXSFL-UHFFFAOYSA-N	247.319	3.054	0	50	BGAA	
Cc1ncoc1-c1csc(C(C)C)n1	1875279369	XQSOOERVHFZRDZ-UHFFFAOYSA-N	208.286	3.230	0	50	BGAA	
F[C@H](c1nc2ccccc2[nH]1)C(F)(F)F	49145	QOXFGGCVUDFHNX-SSDOTTSWSA-N	218.153	3.136	0	50	BGAA	
Cc1ccccc1C(=O)N1CCc2ccccc21	143314	IIRMAUHQDXLCPP-UHFFFAOYSA-N	237.302	3.198	0	50	BGAA	
CC(C)=CCOc1ccc2ccc(=O)oc2c1	388776	SMHJTSOVVRGDEO-UHFFFAOYSA-N	230.263	3.138	0	50	BGAA	biogenic,in-vitro
c1ccc(-c2ncnc3ccccc23)cc1	394392	VEFDQCSIVBIYFQ-UHFFFAOYSA-N	206.248	3.297	0	50	BGAA	
COC(=O)c1ccccc1NCc1ccccc1	395716	PNCJBJQLNOUGJI-UHFFFAOYSA-N	241.290	3.085	0	50	BGAA	
Cc1ccc(C(=O)Nc2cccc(Cl)c2)o1	449798	KZAJMZBVZKHCKK-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
Cc1cc(C)cc(C(=O)Nc2nccs2)c1	506120	JAEFBMYPQPURNH-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
COC1=C(Cl)C(F)(F)C(F)(F)C1(F)F	2568258	QLPINEFCFXPUSF-UHFFFAOYSA-N	240.530	3.003	0	50	BGAA	
Cc1ccc(OC/C=C/Cn2ccnc2)cc1C	16623304	LYKXAVJYUPXXDN-ONEGZZNKSA-N	242.322	3.135	0	50	BGAA	
CCc1nnc(NC23CC4CC(CC(C4)C2)C3)o1	91873365	GHEJPJPLKATGLQ-UHFFFAOYSA-N	247.342	3.013	0	50	BGAA	
C(=C/[C@H]1CCCS1)\[C@@H]1CCCS1	95883367	QKVNENWEZGAWQE-MQQIIUIWSA-N	200.372	3.334	0	50	BGAA	
OCCCCCCOc1ccc2c(c1)CCC2	131481801	PVIMFKRAWFHNSC-UHFFFAOYSA-N	234.339	3.107	0	50	BGAA	
CC(C)Oc1c(F)cc(Cl)cc1F	238206700	PUGDMVABRZNJOV-UHFFFAOYSA-N	206.619	3.405	0	50	BGAA	
CCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)cc1	239235886	WXSXTSAVYJRTHI-UHIISALHSA-N	231.339	3.082	0	50	BGAA	
CCO[C@@H](C)c1ccc(-c2ncccc2N)cc1	426658263	DHFMVSOPPNLTHK-NSHDSACASA-N	242.322	3.428	0	50	BGAA	
Cc1noc(C)c1-c1cccc(CN(C)C)c1	649436521	IRVMLBGBTVONQZ-UHFFFAOYSA-N	230.311	3.020	0	50	BGAA	
C[C@H](c1ccccc1)n1cnc2cc(N)ccc21	56373	KUGQTRSHOZUESN-LLVKDONJSA-N	237.306	3.228	0	50	BGAA	
O=C(c1ccc(F)cc1)c1ccc(F)cc1	105200	LSQARZALBDFYQZ-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	
Cc1ccc(CN[C@H](C)Cc2ccccc2)o1	276776	XJDMKPUUJXVUSW-GFCCVEGCSA-N	229.323	3.309	0	50	BGAA	
CCC(=O)c1ccc(Br)s1	1596516	JQAYKLHWCBPAEX-UHFFFAOYSA-N	219.103	3.103	0	50	BGAA	in-vitro
Fc1ccc2nc(Cl)c(Cl)nc2c1	3164468	VVVJWGDOTVMBNA-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	
O=NN(Cc1ccccc1)Cc1ccccc1	4352994	RZJLAUZAMYYGMS-UHFFFAOYSA-N	226.279	3.370	0	50	BGAA	in-vitro
CCCNc1cccc(OC(F)(F)F)c1	19965178	JYUGFACFTOEUCY-UHFFFAOYSA-N	219.206	3.407	0	50	BGAA	
CC(C)N(C)CCc1c[nH]c2ccccc12	22001985	KTQJVAJLJZIKKD-UHFFFAOYSA-N	216.328	3.051	0	50	BGAA	in-vitro
C[C@@H](CCCC(C)(C)O)CCN[C@H](C)C1CC1	32587206	ADFYMADYTXJRQE-QWHCGFSZSA-N	241.419	3.342	0	50	BGAA	
Cc1cc(F)c(S)cc1Br	98214292	UTSBLWIGGQONHJ-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
CC1(C)CNc2cc(F)c(Br)cc21	146979544	PPWICWHPMCJDID-UHFFFAOYSA-N	244.107	3.291	0	50	BGAA	
O=C1CCc2c(Cl)ccc(Br)c21	149922995	CUAVICMAMOYPOY-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
CCOC(=O)c1cc(C)cc(Cl)c1Cl	263625269	YFQVMOLENXHNQF-UHFFFAOYSA-N	233.094	3.479	0	50	BGAA	
O=C(O)c1cc(C2CC2)c(Br)s1	1848351057	KFBDAOPSNZNFCV-UHFFFAOYSA-N	247.113	3.086	0	50	BGAA	
CC(C)[C@H]1Cc2ccc([C@H](C)C(=O)O)cc2C1	403	RYDUZJFCKYTEHX-GWCFXTLKSA-N	232.323	3.246	0	50	BGAA	in-man
CCCC(=O)Nc1ccccc1NC(=O)CCC	142298	GEMDYKDBNGRQOI-UHFFFAOYSA-N	248.326	3.164	0	50	BGAA	
O=C(NC1CCCCC1)c1c(F)cccc1F	143276	FYVDIOFVZFVINF-UHFFFAOYSA-N	239.265	3.027	0	50	BGAA	
C[C@@H]1CCCN(Cc2ccnc3ccccc23)C1	213868	UAHPWGJFYXFZGB-CYBMUJFWSA-N	240.350	3.467	0	50	BGAA	
Nc1c(C(=O)c2ccccc2)oc2ccccc12	405423	PZLZVWMURFZVHC-UHFFFAOYSA-N	237.258	3.246	0	50	BGAA	
CC[C@@H](C)c1ccc(NC(=O)CC(C)=O)cc1	462619	MENBMIDWRMRXHX-SNVBAGLBSA-N	233.311	3.118	0	50	BGAA	
Cc1c(C(=O)NC(C)(C)C)oc2ccccc12	2870537	ZWKICCRHJHCNPD-UHFFFAOYSA-N	231.295	3.270	0	50	BGAA	
COc1cccc2c1NC(C)(C)C=C2C	4035939	KRUCENDXMOILSL-UHFFFAOYSA-N	203.285	3.303	0	50	BGAA	
FC(F)(F)Oc1ccc([C@H]2CCCN2)cc1	4299182	XCKVCAOSVNOPOM-SNVBAGLBSA-N	231.217	3.010	0	50	BGAA	
COC(=O)c1cc2cc(Cl)ccc2s1	8730029	FEUIEMHKEHSOCU-UHFFFAOYSA-N	226.684	3.341	0	50	BGAA	in-vitro
CC(=O)c1c[nH]c2ccc(Br)cc12	21982345	RMCQCVYGHWTDSP-UHFFFAOYSA-N	238.084	3.133	0	50	BGAA	
FC(F)(F)COc1ccccc1Cl	70234290	MZLKFHPDUDTJCJ-UHFFFAOYSA-N	210.582	3.281	0	50	BGAA	
O=C(O)c1cc2c(s1)-c1ccccc1NCC2	71257148	SNJYGABQLZJUSJ-UHFFFAOYSA-N	245.303	3.081	0	50	BGAA	in-vitro
CC(=O)c1cc(Cl)c(Cl)cc1F	71790040	NLCLBCVKLGWCFE-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	in-vitro
Fc1cccc2c(Cl)nnc(Cl)c12	85223740	DHGXMZANOVUXAV-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cc(C(F)F)ccn1	96028566	NNHXADRSFAXQRK-UHFFFAOYSA-N	244.241	3.366	0	50	BGAA	
COc1ccc(N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC	103216603	JDAYJHHMINLLTB-GVXVVHGQSA-N	247.338	3.304	0	50	BGAA	
Fc1cccc2[nH]c(C(F)(F)F)cc12	214417704	NLEBRQHXUULAHC-UHFFFAOYSA-N	203.138	3.326	0	50	BGAA	
CC(C)(C)c1cc(N)c2ncccc2c1	238135239	LKDKZXIZPZYXBU-UHFFFAOYSA-N	200.285	3.115	0	50	BGAA	in-vitro
CCSCCSCc1ccns1	585118782	BKTKBOARYAZQNE-UHFFFAOYSA-N	219.400	3.129	0	50	BGAA	
CC[C@H](Nc1cc(C)nc(C)n1)c1ccccn1	1339828175	HNMKTMJVMFSJKG-LBPRGKRZSA-N	242.326	3.052	0	50	BGAA	
c1ccc(Cc2ncoc2-c2cscn2)cc1	2356145616	FOSYLCASWQAUAP-UHFFFAOYSA-N	242.303	3.389	0	50	BGAA	
OCc1sccc1Oc1ccccc1	170396	NEOWWJVXDHGUFW-UHFFFAOYSA-N	206.266	3.033	0	50	BGAA	
CC(C)NC(=O)Oc1cc(Cl)cc(Cl)c1	398354	BBWDFCLVALFYQO-UHFFFAOYSA-N	248.109	3.490	0	50	BGAA	
Cc1ccc(C(=O)NCC(C)C)c(Cl)c1	458117	QQWCFWHPEZLBCS-UHFFFAOYSA-N	225.719	3.034	0	50	BGAA	
COc1ccc(-c2cccc(C(=O)O)c2)cc1	1132980	VWDMBLJBLIUXFS-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
CCCOC(=O)Nc1cccc(Cl)c1	1646518	KATIPCFVEKPTIW-UHFFFAOYSA-N	213.664	3.299	0	50	BGAA	
CCCCCCOc1ccc(C=O)cc1O	2028798	WWVRQKQFVYFQDX-UHFFFAOYSA-N	222.284	3.164	0	50	BGAA	
CC(=O)c1cc(F)ccc1C(F)(F)F	2560169	USFYRRQTKUSMNK-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	in-vitro
CCc1ccc(-[n+]2c(C)cc(C)cc2C)cc1	5674393	RURREPNEOOEPIS-UHFFFAOYSA-N	226.343	3.451	0	50	BGAA	
Cc1ccccc1[C@@H](N)c1cccs1	19093245	MRSYDWJTJQECBU-GFCCVEGCSA-N	203.310	3.105	0	50	BGAA	
O=C(NCc1cccc(F)c1)Nc1ccccc1	33547659	DBHLRQKKGMMWBF-UHFFFAOYSA-N	244.269	3.147	0	50	BGAA	
CCOc1ccc(C(F)(F)F)c(F)c1	74934318	DIQPDWNLROTSAR-UHFFFAOYSA-N	208.154	3.243	0	50	BGAA	
CCC(=O)N(C)c1ccc(Cl)c(Cl)c1	148073505	VIFWCQRBNMGEEA-UHFFFAOYSA-N	232.110	3.366	0	50	BGAA	
Cc1ccc2cc(-c3cncc(O)c3)ccc2n1	156840216	WQAYTSTWKKZGSP-UHFFFAOYSA-N	236.274	3.311	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1ccc2cc[nH]c2c1	194245144	UCHCXSLXSITDDD-VIFPVBQESA-N	231.299	3.088	0	50	BGAA	
N#Cc1sc(Cl)nc1-c1ccc(F)cc1	217758477	GUVHHPRMBURQQQ-UHFFFAOYSA-N	238.674	3.474	0	50	BGAA	
C[C@H]1C[C@@H](C)C[C@H]([C@@H]2C[C@H]3CC[C@H]2C3)[C@H]1O	245329027	WXWPEVYZHHMRRH-JPVAKHQASA-N	222.372	3.466	0	50	BGAA	
Cn1ccnc1SCCSC(C)(C)C	253393301	ZPLZAJCDHUUAEZ-UHFFFAOYSA-N	230.402	3.044	0	50	BGAA	
C[C@@H](NC(=O)Cc1cccs1)C1=CCCCC1	827989675	SHUQQCLUVJOHQW-LLVKDONJSA-N	249.379	3.296	0	50	BGAA	
C[C@@H]1CC[C@@H]2[C@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	1772820299	AYXPYQRXGNDJFU-LREAXHOUSA-N	222.372	3.466	0	50	BGAA	
O=C(Nc1ccccc1)OC1CCCC1	88356	XKERVEWMWMNGJA-UHFFFAOYSA-N	205.257	3.178	0	50	BGAA	
Fc1ccc(Br)cc1Cl	396092	CJTIWGBQCVYTQE-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	biogenic,in-vitro
O=C(OC1CCCCC1)C1CCCCC1	1599360	VJCWGXGMXAVKJU-UHFFFAOYSA-N	210.317	3.443	0	50	BGAA	in-vitro
O[C@H]1CC2c3ccccc3C1c1ccccc12	1621908	KWIGNNRWIAOEGF-PCKAHOCUSA-N	222.287	3.028	0	50	BGAA	
Cc1ccc(C)c(-c2csc(N)n2)c1	5277232	XMAIQILQRXZWMI-UHFFFAOYSA-N	204.298	3.009	0	50	BGAA	
Nc1cc([C@H](O)c2ccccc2)ccc1Cl	16626860	RHCJPQNHYRBDOF-CYBMUJFWSA-N	233.698	3.004	0	50	BGAA	
CN[C@@H](CSc1ccc(Cl)cc1)C1CC1	82743800	QGEJRPJGUIROPL-LBPRGKRZSA-N	241.787	3.430	0	50	BGAA	
O=Cc1ccc(Cl)c(OCC(F)(F)F)c1	585662091	BDXWZLJYTJSTDF-UHFFFAOYSA-N	238.592	3.094	0	50	BGAA	
FC(F)c1ccc(CN[C@@]23CCC[C@@H]2C3)cn1	630073095	QVORQZFQRVIOFE-ZWNOBZJWSA-N	238.281	3.051	0	50	BGAA	
OC(c1ccc(F)cc1)c1ccc(F)cc1	56553	WCTZPQWLFWZYJE-UHFFFAOYSA-N	220.218	3.047	0	50	BGAA	in-vitro
O=C(CCC1CCCCC1)Nc1cccnc1	311772	GSKJRMGGPNRWRV-UHFFFAOYSA-N	232.327	3.381	0	50	BGAA	
CC[C@@H](C)Cn1c([C@@H](C)O)nc2ccccc21	352656	IEHLYXZIMXYSLV-GHMZBOCLSA-N	232.327	3.136	0	50	BGAA	
CC(=O)Nc1ccccc1Oc1ccccc1	474684	MKWIUUISIFXUPZ-UHFFFAOYSA-N	227.263	3.437	0	50	BGAA	
C[C@H](CCc1ccccc1)NCc1cccnc1	757773	UHHMVVJDCBNHQP-CQSZACIVSA-N	240.350	3.193	0	50	BGAA	
O=C(O)c1cc(-c2ccccc2)cs1	999042	DOAFBJFYWLESRS-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	in-vitro
Nc1ccc2c(=O)cc(-c3ccccc3)oc2c1	2548245	JGSKYGCPGCBEET-UHFFFAOYSA-N	237.258	3.042	0	50	BGAA	
O=C(c1ccc(F)cc1Cl)C(F)(F)F	2579835	ICNBOISSWGIKPM-UHFFFAOYSA-N	226.556	3.224	0	50	BGAA	
CC[C@@H](C)NCCOc1cc(C)cc(C)c1C	2824045	XIUBFULPZMVJOZ-CYBMUJFWSA-N	235.371	3.379	0	50	BGAA	
O=C(O)c1cc(-c2cccs2)ccc1F	21951009	AJZQGTREOWCZIG-UHFFFAOYSA-N	222.240	3.252	0	50	BGAA	in-vitro
CC(=O)c1cc(Cl)c(N)c(C(F)(F)F)c1	39617242	GVPVKKWXJXESIC-UHFFFAOYSA-N	237.608	3.144	0	50	BGAA	in-vitro
CCOC(=O)c1csc(-c2ccccc2C)n1	60472969	FTIWJDSCQBOTIM-UHFFFAOYSA-N	247.319	3.295	0	50	BGAA	
CCN(C)C(=O)c1ccccc1-c1ccccc1	205003446	MWQHYIQKHRMOMS-UHFFFAOYSA-N	239.318	3.446	0	50	BGAA	
Cc1cc(Br)c2cccnc2c1O	205821781	AMKJPXRVWKHVBZ-UHFFFAOYSA-N	238.084	3.011	0	50	BGAA	
O=C(O)c1ccc(/C=C/C2CCCCC2)nc1	534585520	RIOACXWVIRQHEH-SOFGYWHQSA-N	231.295	3.373	0	50	BGAA	
Cc1nc2cc(-c3cncn3C)ccc2s1	1243069550	SZUPSBWUWIVUDA-UHFFFAOYSA-N	229.308	3.005	0	50	BGAA	
O=C1CC[C@H](c2ccc3ccccc3c2)O1	154618	RTHDLBGPIRDCFJ-CYBMUJFWSA-N	212.248	3.218	0	50	BGAA	
CC1(C)COP(Oc2ccccc2)OC1	394290	JSVDMQKVGLGYCM-UHFFFAOYSA-N	226.212	3.365	0	50	BGAA	
Cc1cccc(NCCc2ccccn2)c1	396785	QXYJRYFXSLCQDS-UHFFFAOYSA-N	212.296	3.045	0	50	BGAA	
COc1ccc(C)cc1NCc1ccc(O)cc1	397731	TWUVOMSQEHRQLK-UHFFFAOYSA-N	243.306	3.321	0	50	BGAA	
C[N+]1=C2CCCC[C@]2(C)c2ccccc21	1044420	YQCJUQRBCGCFDH-CQSZACIVSA-N	200.305	3.247	0	50	BGAA	biogenic
O=C(O)CCCCCCCCCCC(=O)O	1529497	TVIDDXQYHWJXFK-UHFFFAOYSA-N	230.304	3.057	0	50	BGAA	endogenous,in-man
CCC[C@@H](C)C(=O)N(CC)Cc1ccccc1	2739465	VOOOQZLIMXBFLI-CYBMUJFWSA-N	233.355	3.471	0	50	BGAA	
O=C(O)Cc1ccc(-c2ccc(F)cc2)cc1	5763397	HQQLXERSPFVWEW-UHFFFAOYSA-N	230.238	3.120	0	50	BGAA	in-vitro
Cc1cc(C)nc(NCCC2=CCCCC2)n1	8020308	HNLBDJQLYNHIMN-UHFFFAOYSA-N	231.343	3.396	0	50	BGAA	
Cc1ccc(C(=O)O)cc1OCc1ccccc1	13248360	ABDMYEWDLHJGIL-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	in-vitro
Clc1cccc(Cl)c1CNC1CC1	16383690	PLCNQJSZKJXSMQ-UHFFFAOYSA-N	216.111	3.245	0	50	BGAA	in-vitro
c1ccc(N/N=C2/CCc3ccccc3N2)cc1	16662358	VGILMELVZDMKFG-UHFFFAOYSA-N	237.306	3.470	0	50	BGAA	
CCCCNc1ccc2cccc(O)c2n1	19093683	JEHFWPXGFVJHCI-UHFFFAOYSA-N	216.284	3.152	0	50	BGAA	in-vitro
COc1ccc(F)c(-c2cccc(C(=O)O)c2)c1	65336983	KVGKUMULNNMJJI-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CC(C)c1cccc(O[C@@]23CCCN(CC2)C3)c1	67974668	OKOMQRRMYJUWFS-INIZCTEOSA-N	245.366	3.427	0	50	BGAA	
Clc1ncc(Br)c2ccncc12	223389848	LHGSESNVOYYPHA-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
C[C@@H]1C[C@@H](C)[C@](O)(c2ccccc2)C(C)(C)N1C	261361542	NYYYKYZRBDJDOM-IOASZLSFSA-N	247.382	3.013	0	50	BGAA	
OCc1cccc(-c2ccnc(C(F)F)c2)c1	725273597	NTJHPQDNDNPMKW-UHFFFAOYSA-N	235.233	3.179	0	50	BGAA	
CC(=O)c1ccccc1OC(=O)c1ccccc1	84929	UEVPPUDQJRWOLT-UHFFFAOYSA-N	240.258	3.108	0	50	BGAA	
CCc1ccc(CNCc2ccco2)cc1	378562	ODEDMPIBSAQQJN-UHFFFAOYSA-N	215.296	3.132	0	50	BGAA	in-vitro
CCCC(CCC)C(=O)Nc1ccncc1	461863	KUTIFNBACLPZKL-UHFFFAOYSA-N	220.316	3.237	0	50	BGAA	
O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCC1	3895063	PCDBBNAUNRHBLR-UHFFFAOYSA-N	247.382	3.215	0	50	BGAA	
S=c1[nH]c(C2CC2)nc2ccccc12	4078678	ATFIUEQKSVGHPD-UHFFFAOYSA-N	202.282	3.170	0	50	BGAA	aggregator,in-vitro
O=C(Nc1cccc(C(F)(F)F)c1)C1CC1	6220742	LRDASMGXTMFSTO-UHFFFAOYSA-N	229.201	3.054	0	50	BGAA	
O=C(O)/C=C1\CCC[C@H](Cc2ccccc2)C1	35146247	MBKVPZSREIQTCY-MBFWDRTGSA-N	230.307	3.430	0	50	BGAA	
Cc1c(C(=O)O)cccc1-c1ccccc1	43502620	HOAIMLUVGBVVFZ-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	
c1cc2c(c(OCc3ccon3)c1)CCCC2	45222144	MSCVUOUDQRPQRO-UHFFFAOYSA-N	229.279	3.132	0	50	BGAA	
Oc1ccc(Br)cc1C1CC1	114867574	QEYYLULNNYJHHS-UHFFFAOYSA-N	213.074	3.032	0	50	BGAA	
CC(=O)c1cn(C(C)C)c2ccccc12	137968963	RIYXUGVAUWGENS-UHFFFAOYSA-N	201.269	3.425	0	50	BGAA	
Cc1cc(F)cc(F)c1OC(F)(F)F	263622835	BHNLUDFWYSCEFQ-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
C=CC(=O)Nc1ccc(-c2nc(C)c(C)o2)cc1	1120553541	DESQKAUSIIKIQA-UHFFFAOYSA-N	242.278	3.083	0	50	BGAA	
C1=C[C@H](n2ccnc2-c2ccco2)CC1	1875245516	CUCQWMDNWWQRAK-JTQLQIEISA-N	200.241	3.034	0	50	BGAA	
C/C=C(\CC)c1cc2[nH]c(=N)[nH]c2cc1C	2332239444	WLEVZHQXTAENMS-RUDMXATFSA-N	215.300	3.097	0	50	BGAA	
Cc1ccc(NC(=O)NC(C)C)cc1Cl	396699	XCCGXYJCLQEVOT-UHFFFAOYSA-N	226.707	3.178	0	50	BGAA	
CO[C@H](c1ccccc1)[C@H](O)c1ccccc1	405272	DAUUWYCGIFAYBG-HUUCEWRRSA-N	228.291	3.108	0	50	BGAA	
COC(=O)c1c(-c2cccc(C)c2)csc1N	442701	NDLHDOXPPFPXPT-UHFFFAOYSA-N	247.319	3.092	0	50	BGAA	
O=C(Nc1cccc2ccccc12)C1CC1	483327	POMQVLRIIXEWDN-UHFFFAOYSA-N	211.264	3.188	0	50	BGAA	
Cc1ccc(C)c(NC(=O)c2ccccc2N)c1	1596909	PFVFIDOVWVGKFZ-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
CCCCc1ccc(NN)c(Br)c1	2582492	BNHAWILRBDSUGH-UHFFFAOYSA-N	243.148	3.077	0	50	BGAA	in-vitro
CCC[C@@H](C)n1nc(O)c2c(C)cc(C)nc21	4197023	IQDLJPXMBFQARP-SNVBAGLBSA-N	233.315	3.115	0	50	BGAA	
CC1(C)[C@@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O	5765621	SPVZAYWHHVLPBN-WREUKLMHSA-N	242.624	3.028	0	50	BGAA	in-vitro
Fc1cc2nc(C(F)(F)F)[nH]c2cc1Cl	31553994	LRLCGSNWJZYZLV-UHFFFAOYSA-N	238.571	3.374	0	50	BGAA	
O=C(CC1CCCC1)NC1CCCCC1	68192145	IFTMPSKZDITJDG-UHFFFAOYSA-N	209.333	3.016	0	50	BGAA	
O=C(O)c1cccnc1/C=C/c1ccsc1	136594371	NNZJVNGKCZOAAH-ONEGZZNKSA-N	231.276	3.012	0	50	BGAA	
O=C(O)/C=C/c1c(F)cc(Cl)cc1Cl	263625330	YVODJSIASWEQMF-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
Cn1c(/C=C/c2ccccc2)[n+](C)c2ccccc21	3878964	LUGYDRGZQHGHLA-OUKQBFOZSA-N	249.337	3.173	0	50	BGAA	
Cc1csc2ncnc(-c3cccc(O)c3)c12	32558294	LXQKPWRVQVEVME-UHFFFAOYSA-N	242.303	3.372	0	50	BGAA	
CCc1c(C(=O)N(CC)CC)csc1C	65418945	GWXOFETVAMYCQI-UHFFFAOYSA-N	225.357	3.101	0	50	BGAA	
CC1(C)CCc2c(Cl)nc(Cl)nc21	86869167	SNZVRPRZSBMBGV-UHFFFAOYSA-N	217.099	3.007	0	50	BGAA	
Cc1ccccc1NC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	101597450	TUVRGNJAIDJRMT-IMIFBBOLSA-N	241.334	3.226	0	50	BGAA	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Cl	101669742	VLNNNESZIBWEHH-KWBADKCTSA-N	249.741	3.258	0	50	BGAA	
C[C@H]1C[C@H]1c1nc(-c2ccc3[nH]ccc3c2)no1	225590367	REBCAFXCQKUNRP-GZMMTYOYSA-N	239.278	3.341	0	50	BGAA	
CCCCOc1c(F)c(C)cc(O)c1F	261493421	AQWKJPXHONTWJA-UHFFFAOYSA-N	216.227	3.158	0	50	BGAA	
CCNc1ccccc1OC(F)(F)F	153300	ZKDGBNRBKFRELS-UHFFFAOYSA-N	205.179	3.017	0	50	BGAA	in-vitro
Sc1nc2cccc3cccc([nH]1)c32	289554	ZASDGLJUXIVFDL-UHFFFAOYSA-N	200.266	3.005	0	50	BGAA	in-vitro
O=C(O)CCc1ccc(-c2ccc(F)cc2)o1	303150	PEMSGNPALUHKCC-UHFFFAOYSA-N	234.226	3.103	0	50	BGAA	
Cc1cccc(NC(=O)Nc2ccccc2C)n1	6702052	OEJUNTVVCNUAPJ-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1c(Cl)cc(C(=O)O)cc1Cl	14989295	GBEJAEMDMASLJL-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	in-vitro
CC(C)(C)NC(=O)c1cccc(C(F)(F)F)c1	28210461	ZRYOHEVXEOPFNA-UHFFFAOYSA-N	245.244	3.234	0	50	BGAA	
O=C(Cn1cccc1)c1ccc(Cl)cc1	32918441	BUKLSZXRKBIJTB-UHFFFAOYSA-N	219.671	3.024	0	50	BGAA	
Cc1cccc(-c2ccc(C(=O)O)cc2F)c1	49840847	RWEMRZDXBYIYDX-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	
COc1cncc(-c2cccc(Cl)c2)c1	85477163	RWKYBRUMFDLSFF-UHFFFAOYSA-N	219.671	3.411	0	50	BGAA	in-vitro
CC1(C)C(=O)N[C@H]1c1cc(Cl)cc(Cl)c1	309094783	GEFZLRBWMKKLTM-VIFPVBQESA-N	244.121	3.191	0	50	BGAA	
CCOc1ccnc(-c2cc(C)ccc2C)n1	426538281	DIJRFYKCOIYGSK-UHFFFAOYSA-N	228.295	3.159	0	50	BGAA	
COc1cc(F)c2c(c1N)[C@H](C)CC2(C)C	669375275	WHNLWPXJZVIHKG-SSDOTTSWSA-N	223.291	3.201	0	50	BGAA	
CCC[C@@H](C)NC(=O)Cc1ccc(Cl)cc1	30758	BNRDXCWHFAVAPC-SNVBAGLBSA-N	239.746	3.187	0	50	BGAA	
COc1ccc2c(C)cc(=S)[nH]c2c1	81365	QJNQZUVUCGOPFS-UHFFFAOYSA-N	205.282	3.214	0	50	BGAA	in-vitro
c1ccc(-c2ccc3ccccc3n2)nc1	122537	YQZGQXPHGLAEHA-UHFFFAOYSA-N	206.248	3.297	0	50	BGAA	
O=C(O)c1cccc(-c2cccs2)c1	162001	SEIZFGIUKSSIJJ-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	
c1ccc(-c2cn3c(nc4ccccc43)[nH]2)cc1	403642	LOYLEFYQOSIFBB-UHFFFAOYSA-N	233.274	3.483	0	50	BGAA	
Nc1ccccc1Sc1ccccc1N	404114	WRRQKFXVKRQPDB-UHFFFAOYSA-N	216.309	3.002	0	50	BGAA	in-vitro
NC(=O)c1ccc(CSc2ccccc2)cc1	444255	UXHGTWPOFFVGND-UHFFFAOYSA-N	243.331	3.078	0	50	BGAA	
CCC(=O)Nc1ccccc1N1CCC(C)CC1	557990	MTMJJFFGDAWFAS-UHFFFAOYSA-N	246.354	3.271	0	50	BGAA	
S=c1[nH]c2cc3ccccc3cc2[nH]1	1722140	DDPQKZFRVMYIQG-UHFFFAOYSA-N	200.266	3.379	0	50	BGAA	
O=C(O)CSc1cc2cc(Cl)ccc2o1	10231852	BPJBNGGOSMIBKH-UHFFFAOYSA-N	242.683	3.263	0	50	BGAA	
Cc1nnc(Nc2ccc(F)c(Cl)c2)s1	71782487	NXBVLSIGCMFRFO-UHFFFAOYSA-N	243.694	3.383	0	50	BGAA	
CN(C)CCC(=O)c1ccc(C2CCC2)cc1	133015904	JGLYVSGBPUJGSX-UHFFFAOYSA-N	231.339	3.089	0	50	BGAA	in-vitro
CCOC(=O)CCCCCCCCCCCN	144232961	PATUZIMYRRFICT-UHFFFAOYSA-N	243.391	3.409	0	50	BGAA	
C(=C/c1nc2cnccc2s1)\c1cncs1	170612132	GWIYXXJKOBBVSX-OWOJBTEDSA-N	245.332	3.318	0	50	BGAA	
Fc1ccnc(Br)c1C(F)(F)F	238573008	ZHUSCLPQTUXHIS-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CC(C)COc1ccc(C(F)(F)F)cc1O	261493550	DISCKKUFJWGBES-UHFFFAOYSA-N	234.217	3.446	0	50	BGAA	
CC/C=C(\C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1	584907086	WRIZUOYFCPBRHU-WANXEPPHSA-N	235.371	3.428	0	50	BGAA	
CC(=O)c1sc(-c2ccccc2)cc1N	81851	QAHOJPMILKVSAA-UHFFFAOYSA-N	217.293	3.200	0	50	BGAA	
Cc1ccc2c(c1)N(CCO)C(C)(C)C[C@@H]2C	135498	DICAWUKDDRKZDZ-LBPRGKRZSA-N	233.355	3.080	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)NC1CCCC1	200925	CGJGBGCHZXCNKT-UHFFFAOYSA-N	238.718	3.404	0	50	BGAA	
CSc1ccccc1C(=O)NC1CCCCC1	581219	LFMNJMFZGDAIFX-UHFFFAOYSA-N	249.379	3.471	0	50	BGAA	
c1ccc2cc(C3CCNCC3)ccc2c1	2391676	TXJOHNASMKJWGI-UHFFFAOYSA-N	211.308	3.307	0	50	BGAA	
C[C@@H]1CC[C@@H]2[C@@H](N1)c1ccccc1OC2(C)C	4084095	JKYWBXHMWFQXCG-QKCSRTOESA-N	231.339	3.287	0	50	BGAA	
C[C@@H]1CC(=O)c2cc(Cl)c(Cl)cc2O1	39261192	VRBPCXSQRQSCIH-RXMQYKEDSA-N	231.078	3.347	0	50	BGAA	
C[Si](C)(C)c1ccc(Br)s1	196571357	IXLYRDOGOXBECE-UHFFFAOYSA-N	235.222	3.056	0	50	BGAA	
Cc1nc2cc(-c3ccnc(O)c3)ccc2s1	1243425795	UWMZUQBJIMSAQY-UHFFFAOYSA-N	242.303	3.372	0	50	BGAA	
c1ccc(Cc2nnc(-c3ccccc3)o2)cc1	306669	YLDZBWPHDSLHFF-UHFFFAOYSA-N	236.274	3.327	0	50	BGAA	aggregator
Cc1cc(C)n2nc(-c3ccc(F)cc3)cc2n1	313194	IOVIDVFYHYCARP-UHFFFAOYSA-N	241.269	3.152	0	50	BGAA	
O=C(Nc1cccc2ncccc12)c1ccccc1	377024	YFAPDQWOPMTKOL-UHFFFAOYSA-N	248.285	3.487	0	50	BGAA	
CC(C)(C)NC(=S)Nc1cccc(Cl)c1	469215	BBZZIWUCSXSOHY-UHFFFAOYSA-N	242.775	3.425	0	50	BGAA	
c1ccc(CNC23CC4CC(CC(C4)C2)C3)nc1	4797952	JZNCCSXXPQMODA-UHFFFAOYSA-N	242.366	3.140	0	50	BGAA	
CCCCCC(=O)c1ccc(OC)cc1OC	5417898	HRWFMYOHOPLFLP-UHFFFAOYSA-N	236.311	3.467	0	50	BGAA	
CCCOc1ccc(C=O)cc1Br	7262630	HDCNBZVVXWZSQO-UHFFFAOYSA-N	243.100	3.050	0	50	BGAA	
COc1ccccc1CN1CCCC[C@H]1C	23281468	YAJRTQYHTVXMCP-GFCCVEGCSA-N	219.328	3.070	0	50	BGAA	
Cc1cccc(-c2cc(F)cc(C(=O)O)c2)c1	65337040	VZXUEHXYANRRFT-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
CC(=O)Cc1ccc(Cl)cc1Br	84571361	HEYOJZQSPBKAGX-UHFFFAOYSA-N	247.519	3.234	0	50	BGAA	
Cc1cc(C(=O)O)cc(Cl)c1Br	85652786	LYNHENCALWCBLJ-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	in-vitro
CC[C@@H]1CCCCN1C[C@H]1CCO[C@@H](C)C1	252516614	VEYNQOZLHHUDOQ-MELADBBJSA-N	225.376	3.066	0	50	BGAA	
CCCOc1cc(Cl)ccc1OC	261493560	DNHPFNNEHBFTCW-UHFFFAOYSA-N	200.665	3.137	0	50	BGAA	
C[C@@H]1CC(C)(C)c2cc(F)c(F)c(N)c21	669375354	ZHLOYSXFJIYRPM-ZCFIWIBFSA-N	211.255	3.332	0	50	BGAA	
Cc1cnc2n1CC[C@@H]2NC[C@H]1CCC[C@H](C)C1	2325777877	LNNQXDDBMBTYEQ-UBHSHLNASA-N	247.386	3.052	0	50	BGAA	
CC(C)=C(F)CNCc1cc2cnccc2o1	2325802652	RWOMCSYAZXGBMW-UHFFFAOYSA-N	234.274	3.181	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)C1CCCC1	383711	ZJVORKOWFIWCLT-UHFFFAOYSA-N	223.703	3.469	0	50	BGAA	
Cc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C)cc1	475835	KJYMTUIMFCTMFX-VNDWYCCKSA-N	243.350	3.409	0	50	BGAA	
Fc1cc(Cl)c(Br)cc1F	2512241	OKGLKEDYKFGKOW-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
Cc1[nH]c2ccc(C(C)(C)C)cc2c1CC(=O)O	2582691	YVEVPVXDJZMHLX-UHFFFAOYSA-N	245.322	3.401	0	50	BGAA	
O=C(O)c1cc2c(s1)-c1ccccc1OC2	2650671	ZMEWPWRPNHFDRC-UHFFFAOYSA-N	232.260	3.006	0	50	BGAA	
C[C@@H]1CC(C)(C)O[C@@H]([C@H]2CC=CCC2)O1	4124538	YVPPRQDLDOPKFY-WOPDTQHZSA-N	210.317	3.273	0	50	BGAA	
COc1ccccc1[S@@](=O)C1CCCCC1	44139385	CGYLQKXVFNCBMW-MRXNPFEDSA-N	238.352	3.136	0	50	BGAA	
Cc1cc(Nc2ccc(C(C)C)cc2)nc(N)n1	72446763	OTVQLPFJKOYQPL-UHFFFAOYSA-N	242.326	3.234	0	50	BGAA	
CC1=C[C@@H](C)[C@@]2(CO)COC(=C(C)C)[C@H]1[C@@H]2C	100516522	GCBFPUQWHILFHW-QVHKTLOISA-N	236.355	3.138	0	50	BGAA	biogenic
CCCn1cc(N[C@@H](C)CC(F)(F)F)cn1	131500613	YNEQFCBQWZQBOT-QMMMGPOBSA-N	235.253	3.046	0	50	BGAA	
O=C(c1ccc(F)cc1)N1CCC2(CCCC2)C1	173752742	RZVJQKVJYGRNTA-UHFFFAOYSA-N	247.313	3.232	0	50	BGAA	
O=Cc1cccc(-c2cccc(O)c2F)c1F	725270679	PZSMXYWSHZWUCL-UHFFFAOYSA-N	234.201	3.150	0	50	BGAA	
Cc1nc2sc(-c3ccccc3)cc2c(=O)o1	38103	SFYCLUAWKGBTMG-UHFFFAOYSA-N	243.287	3.225	0	50	BGAA	
CC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1	284690	NBPHHKVRZUSDBJ-MRVPVSSYSA-N	226.707	3.260	0	50	BGAA	
Cc1ccccc1NC(=O)NC1CCCCC1	396593	JYBQTDHFCBQLHP-UHFFFAOYSA-N	232.327	3.449	0	50	BGAA	
Cc1cc(O)ccc1-c1ccc(O)cc1C	4825650	GTFQLBWTUKSJQG-UHFFFAOYSA-N	214.264	3.382	0	50	BGAA	
CCCCC(=O)Nc1ccccc1OC(F)F	9934685	BPQJEVHOCQNZGH-UHFFFAOYSA-N	243.253	3.417	0	50	BGAA	
CCOc1cccc(C(=O)Oc2ccccc2)c1	12137971	FLYYFMHWQGCFFO-UHFFFAOYSA-N	242.274	3.305	0	50	BGAA	
Oc1ccc(-c2cc(F)ccc2F)cc1	33427471	XUHLQULAIOCLOY-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	
CC(=O)c1cc2cccc(Br)c2o1	37034697	UYNFEODHDJWJAL-UHFFFAOYSA-N	239.068	3.398	0	50	BGAA	in-vitro
COCCCNC1(c2ccccc2)CCCCC1	202429363	OWOACIUDSBGLMN-UHFFFAOYSA-N	247.382	3.472	0	50	BGAA	in-vitro
Cc1ccc(Br)c2c(F)ccnc12	1775954856	QCKXMAKVHLLDBG-UHFFFAOYSA-N	240.075	3.445	0	50	BGAA	
c1cn(CC[C@@H]2CCOC2)c(-c2ccsc2)n1	1857722747	MTKZEOSSTDEEKR-LLVKDONJSA-N	248.351	3.038	0	50	BGAA	
c1coc(-c2nccn2C2CCCC2)c1	1875250447	ZGSNFLAFJUXKCV-UHFFFAOYSA-N	202.257	3.258	0	50	BGAA	
Cc1cnnc(-c2ccc3ncccc3c2)c1C	2100540303	HVMYEDQFTAIEDX-UHFFFAOYSA-N	235.290	3.309	0	50	BGAA	
CC(C)C[C@@H](C)NC(=O)NC1CCCCC1	388956	MULWXDIQMVYTFG-LLVKDONJSA-N	226.364	3.053	0	50	BGAA	
CCc1ccc(NC(=O)C(C)(C)C)cc1	401759	UQADKRNWYXDOOZ-UHFFFAOYSA-N	205.301	3.234	0	50	BGAA	
CCCNC(=S)Nc1cccc(Cl)c1	2818079	LSCNBKBDGIQFNX-UHFFFAOYSA-N	228.748	3.036	0	50	BGAA	
CCN(C)CC12CC3CC(CC(C3)C1)C2	3897592	XEHNZBKIGUJPRZ-UHFFFAOYSA-N	207.361	3.155	0	50	BGAA	
OC1=NC(=S)S/C1=C/[C@@H]1CC=CCC1	5898206	FEBBHDNTSBKWQL-UQBZRGDZSA-N	225.338	3.215	0	50	BGAA	
CC[C@H](C)NC(=O)Cc1coc2cc(C)ccc12	6701930	CTSCZLZGZKIJOZ-NSHDSACASA-N	245.322	3.198	0	50	BGAA	
Cc1ccc(C)c([C@H](C)NC(=O)c2ccco2)c1	6725970	SBGRLJNXYSUKJV-LBPRGKRZSA-N	243.306	3.387	0	50	BGAA	
O=[P@@]1(c2ccccc2)CNc2ccccc2O1	22590084	UHUMAQOHOIPQTL-KRWDZBQOSA-N	245.218	3.052	0	50	BGAA	
Cc1cccc(O)c1OCc1ccccc1	34541960	VFBCZWWOPQRBRF-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	
CC(C)c1nccc(-c2nc3ccccc3[nH]2)n1	55225181	KDJYVXJUJADVLS-UHFFFAOYSA-N	238.294	3.143	0	50	BGAA	
CC(C)(C)NC(=O)N1CCC[C@@H]1c1ccccc1	123142626	CUVQBBJSMUBRCV-CYBMUJFWSA-N	246.354	3.332	0	50	BGAA	
CC1(C)C[C@H]1C(=O)NC1CCCCCCC1	131601159	PWWUSVRKXGDTSR-LBPRGKRZSA-N	223.360	3.262	0	50	BGAA	
C[C@@H](N)c1ccc(O)c(-c2ccccc2)c1	258933524	QVFLKCSUBFJVKO-SNVBAGLBSA-N	213.280	3.079	0	50	BGAA	
CCOC(=O)c1c(F)cc(Cl)cc1Cl	263624309	PEKRRUQYPXJMSF-UHFFFAOYSA-N	237.057	3.309	0	50	BGAA	
C[C@H]1CCCN1C(=O)c1cc(F)ccc1Cl	293363964	GTIWCZVBKTYRKC-QMMMGPOBSA-N	241.693	3.104	0	50	BGAA	
CC(C)[C@H]1C[C@@H](CNCc2ccccc2)CCO1	352722969	ONQNIRTUGAXORU-JKSUJKDBSA-N	247.382	3.227	0	50	BGAA	
CCCc1cc(-c2ccnn2CCC)nc(C)n1	426633906	MKSUBFLWEWAVQP-UHFFFAOYSA-N	244.342	3.011	0	50	BGAA	
Cc1nc(C)c(Cc2ccccc2)s1	670425988	YULOXASEILFHHY-UHFFFAOYSA-N	203.310	3.351	0	50	BGAA	
CC(C)(C)C[C@@H](N)C1(O)CCCCCCC1	958528288	PYKHTNRNXZTMLO-GFCCVEGCSA-N	227.392	3.225	0	50	BGAA	
CC(C)[C@H](C)CN(C)c1ccnc(C2CC2)n1	2325873285	BMUDJSQQNOMFSM-LLVKDONJSA-N	233.359	3.082	0	50	BGAA	
COc1ccccc1CNc1cccc(F)c1	280212	FZNIDNYXKKJAJH-UHFFFAOYSA-N	231.270	3.446	0	50	BGAA	
COc1ccc(C(=O)Nc2ccc(F)cc2)cc1	299175	GJNRBGJCUWQLPW-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
O=C(O)Cc1ccccc1CCc1ccccc1	3198964	KTQWGNHDJFGNTG-UHFFFAOYSA-N	240.302	3.099	0	50	BGAA	
Nc1nnc(-c2cccc(Cl)c2Cl)s1	3716244	KJVBVESDMDDUKA-UHFFFAOYSA-N	246.122	3.094	0	50	BGAA	
c1cc(N2CCNCC2)ccc1C1CCCCC1	4244735	CRUVZSXCXPWZAC-UHFFFAOYSA-N	244.382	3.144	0	50	BGAA	
Cc1ccc(/C=C/C(=O)n2nc(C)cc2C)cc1	4652450	BBKFGHUXAJDMEK-CMDGGOBGSA-N	240.306	3.162	0	50	BGAA	
Cc1cccc(C)c1NC(=O)c1ccoc1C	6318296	RFPGPWHNODIDCE-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
CNC[C@@H]1O[C@H]2CCCC[C@H]2c2sccc21	6657970	SSQGFXDMCNKSBL-USWWRNFRSA-N	237.368	3.065	0	50	BGAA	
c1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1	19370035	INERHEQVAVQJBO-MRXNPFEDSA-N	248.329	3.403	0	50	BGAA	in-vitro
Cc1ccc(N[S@@](=O)c2ccc(C)cc2)cc1	38213081	ADEMTMVCZJRJTA-QGZVFWFLSA-N	245.347	3.438	0	50	BGAA	
Fc1ccc(NCc2ccccc2Cl)cn1	125152753	SGSXGNWGSREMAO-UHFFFAOYSA-N	236.677	3.486	0	50	BGAA	
Cc1ccsc1/C=C/Br	606276575	JQEIEKWPJFZCPU-DUXPYHPUSA-N	203.104	3.422	0	50	BGAA	
CC(C)=C=CC(C)(C)[C@H](C)NCc1ncc[nH]1	1775987161	GNUMOXRELSUGBP-LBPRGKRZSA-N	233.359	3.035	0	50	BGAA	
CC(C)(C)[C@@H](C(=O)O)c1cc(F)cc(F)c1	1857783427	NUCBSQCLETWPDO-SNVBAGLBSA-N	228.238	3.179	0	50	BGAA	
Cc1ccc(NCc2cccnc2)cc1C	293129	KKYDGIBGSSRWGB-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
O=C(O)/C=C/c1ccc2c3c(cccc13)CC2	822039	VBEHYAOTPXXHLK-CMDGGOBGSA-N	224.259	3.036	0	50	BGAA	
O=C(c1ccc(Cl)cc1)C(F)(F)F	1598725	DYPQUENOGZXOGE-UHFFFAOYSA-N	208.566	3.085	0	50	BGAA	
CN1CC=C(c2cccc(Cl)c2)CC1	2529366	FKLWAGSVAKNRAS-UHFFFAOYSA-N	207.704	3.059	0	50	BGAA	
CCCCN(CC)C(=O)c1ccc(OCC)cc1	2743467	BCQYNJVYZMMTEN-UHFFFAOYSA-N	249.354	3.348	0	50	BGAA	
Cc1ccc(-c2ccc(C(=O)O)s2)cc1	12404907	HAJCITVNZKDTPX-UHFFFAOYSA-N	218.277	3.422	0	50	BGAA	in-vitro
O=C(NCc1ccccc1)OCc1ccccc1	33566732	ILKFHZRKLTWFKR-UHFFFAOYSA-N	241.290	3.113	0	50	BGAA	in-vitro
Cc1ccnc(NC(=O)Oc2ccc(F)cc2)c1	244181619	VJLQYUVQIRVVPQ-UHFFFAOYSA-N	246.241	3.140	0	50	BGAA	
CC[C@H](NC(=O)C12CC1C2)c1ccc(Cl)cc1	2325897620	AUBMWECAWBJGEN-KHJSKFAYSA-N	249.741	3.317	0	50	BGAA	
COc1cc(F)cc(-c2ocnc2CC2CC2)c1	2356158918	DYNJYDXGDZLWBR-UHFFFAOYSA-N	247.269	3.442	0	50	BGAA	
Cc1cc(C)c(C)c(Cn2ccnc2)c1C	4385937	DHPKCBBDCVCADI-UHFFFAOYSA-N	214.312	3.165	0	50	BGAA	
O=Nc1c(O)c(N=O)c2ccccc2c1O	4787227	OCCDIVIHMBZDON-UHFFFAOYSA-N	218.168	3.047	0	50	BGAA	
CCCN(Cc1ccc(O)c(OC)c1)CC1CC1	4987639	CVRJWFXWLXTEDE-UHFFFAOYSA-N	249.354	3.023	0	50	BGAA	
CCc1cc2c(N(CC)CC)nc(C)nc2s1	5017333	SMSGTHONVNZXPE-UHFFFAOYSA-N	249.383	3.408	0	50	BGAA	
COC(=O)c1ccc(-c2ccc(OC)cc2)s1	5527135	AKJKPXPOZBDPGB-UHFFFAOYSA-N	248.303	3.210	0	50	BGAA	
S=c1[nH]cncc1-c1ccc(Cl)cc1	6863404	WDWOBZOBMLHORF-UHFFFAOYSA-N	222.700	3.460	0	50	BGAA	
CC(C)Cc1n[nH]c(CSc2ccccc2)n1	65403305	VNTUHADVWOJYPJ-UHFFFAOYSA-N	247.367	3.296	0	50	BGAA	
C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C)C(C)(C)C	170626146	DGVBKEUMYOAVFQ-GRYCIOLGSA-N	240.391	3.299	0	50	BGAA	
CC(C)c1cc(Br)ccc1CO	208356762	GHPCTQRGLFYLJM-UHFFFAOYSA-N	229.117	3.065	0	50	BGAA	
CC(=O)C(F)(F)c1ccc(Br)cc1	238052579	PGARJEGPWFGHKP-UHFFFAOYSA-N	249.054	3.130	0	50	BGAA	
CCO[C@@H](C)c1ccc(-c2cccc(N)n2)cc1	1506422011	YXVDEUXHYRRYIL-NSHDSACASA-N	242.322	3.428	0	50	BGAA	
Cc1cnnc(-c2ccccc2Cl)c1C	2356141484	DLIQUJAOHJWLAU-UHFFFAOYSA-N	218.687	3.414	0	50	BGAA	
CCc1nn2cc(-c3ccccc3)nc2s1	230340	CSSSOHYFELMBPW-UHFFFAOYSA-N	229.308	3.020	0	50	BGAA	
O=Cc1cccc(OC(=O)Nc2ccccc2)c1	335467	ULKIBGXLQKRMMF-UHFFFAOYSA-N	241.246	3.110	0	50	BGAA	
C[C@@H](N)c1cccc(NC(=O)OC(C)(C)C)c1	2512919	IUBFAZSFGODJPA-SECBINFHSA-N	236.315	3.053	0	50	BGAA	
CC(=O)OC(C)(C)CC=C(Cl)Cl	4800407	LBXLLZYCZGXEBF-UHFFFAOYSA-N	211.088	3.037	0	50	BGAA	
CSc1ccccc1NC(=O)C(C)C	10778944	CRBVGPXIPQCDQI-UHFFFAOYSA-N	209.314	3.003	0	50	BGAA	
CCc1noc(C)c1C(=O)Nc1ccccc1C	13326519	LBOOCHJEFHWQQQ-UHFFFAOYSA-N	244.294	3.106	0	50	BGAA	
COc1ccc(/C=C/C(=O)OC(C)(C)C)cc1	14505024	UOWWOECUORSLLB-JXMROGBWSA-N	234.295	3.050	0	50	BGAA	
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1c1ccccc1	82610334	MBZAGPLGLMIZOL-NEPJUHHUSA-N	233.311	3.067	0	50	BGAA	
CC(C)c1ncsc1Br	84305803	AGLUHAQVFQKYLK-UHFFFAOYSA-N	206.108	3.029	0	50	BGAA	in-vitro
O=C(O)c1ccc2c(Cl)nc(Cl)cc2c1	95631129	KTZMHKYHEQOTGW-UHFFFAOYSA-N	242.061	3.240	0	50	BGAA	
CCOCSc1ccc(Cl)cc1	261494496	YZLHJQYYZNBGKQ-UHFFFAOYSA-N	202.706	3.426	0	50	BGAA	
Cc1nn(C)cc1-c1cc2cc(F)ccc2[nH]1	1875340177	OZRUKICVICLPNI-UHFFFAOYSA-N	229.258	3.016	0	50	BGAA	
COc1ccc2c(C)cc(Cl)nc2c1	146276	SMJPQHMCVFWKMI-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
Fc1ccccc1CNCc1ccccc1	322402	PHIOLPRORSUAGJ-UHFFFAOYSA-N	215.271	3.116	0	50	BGAA	
Cc1ccc(/C=C/C(=O)Nc2nccs2)cc1	476776	ZCTFEKXLTBIPDW-VOTSOKGWSA-N	244.319	3.103	0	50	BGAA	
COc1ccc(C(=O)Cc2ccccc2)cc1F	758129	YQLFFKXSRHRZGZ-UHFFFAOYSA-N	244.265	3.260	0	50	BGAA	
Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cs1	1009133	NGIUCZGATOVMDM-JOYOIKCWSA-N	237.368	3.365	0	50	BGAA	
Clc1cc(Cl)cc(C2CCNCC2)c1	2512979	SDAZCHLLTBVGCL-UHFFFAOYSA-N	230.138	3.460	0	50	BGAA	in-vitro
CCc1ccc([C@H](N)c2cccc(F)c2)cc1	4206136	XSLJZWFJXPANEX-HNNXBMFYSA-N	229.298	3.436	0	50	BGAA	
CCOc1ccc(C(=O)N(C(C)C)C(C)C)cc1	6048012	OWYAEAAPDOFMCY-UHFFFAOYSA-N	249.354	3.344	0	50	BGAA	
C[C@H]1C[C@H](NC(=S)S)CC(C)(C)C1	6481472	GNNUYEDIHBJJLE-YUMQZZPRSA-N	217.403	3.006	0	50	BGAA	
C[C@@H]1CCc2c(nc3ccccc3c2C(=O)O)C1	20038191	WNVOXWZXFSHLNZ-SECBINFHSA-N	241.290	3.058	0	50	BGAA	
CCNc1nc(C(F)(F)F)nc2ccccc12	32544618	MFEUZKQFJKVUSL-UHFFFAOYSA-N	241.216	3.080	0	50	BGAA	
CCCNCc1ccc(Br)cc1F	36923315	SVZHLSQGBDVFBR-UHFFFAOYSA-N	246.123	3.088	0	50	BGAA	in-vitro
Cc1cc(Br)cc(C(=O)O)c1Cl	67800128	HEWZZEKYJDONOQ-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	
Fc1c(Br)cnc2ccccc12	238554882	MRSNASOZSGAMBP-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
CC(C)Sc1ncc(C(F)(F)F)cc1O	261494345	VJZKXSOAVJSZGJ-UHFFFAOYSA-N	237.246	3.307	0	50	BGAA	
CC(=O)N1c2ccccc2C(C)(C)C[C@@H]1C	356030126	RTBTYMHFCYWBEV-JTQLQIEISA-N	217.312	3.109	0	50	BGAA	
CCOc1ccc(N)c2c1C(C)(C)C[C@@H]2C	669374178	AEJBXNKNZSNAEE-VIFPVBQESA-N	219.328	3.452	0	50	BGAA	
Cc1cc(F)ccc1-c1cc(CNC(C)C)[nH]n1	725264672	FQUPWTRYHJMCHX-UHFFFAOYSA-N	247.317	3.022	0	50	BGAA	
O=Cc1cccc([C@H]2CC(F)(F)C2(F)F)c1	958624234	WZVHSCDTMZRWQJ-SECBINFHSA-N	232.176	3.257	0	50	BGAA	
Oc1ccc(-c2nccn2[C@@H]2C=CCC2)cc1	1875248552	XJSCBLNDOFDGIN-GFCCVEGCSA-N	226.279	3.147	0	50	BGAA	
c1ccc2[nH]c(Cc3nc4ccccc4[nH]3)nc2c1	189121	VPJBLVPIUUNPLB-UHFFFAOYSA-N	248.289	3.030	0	50	BGAA	
Cc1ccc(NC(=O)c2cccnc2)cc1Cl	300621	RCOMTIIXSKRBSJ-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
CCc1c(C(=O)Nc2ccncc2)csc1C	1055219	ICVYGGAAFWNBFD-UHFFFAOYSA-N	246.335	3.266	0	50	BGAA	
CC(C)(C)OC(=O)n1ccc2cc(N)ccc21	2527001	KYCVRKPFNLCHLL-UHFFFAOYSA-N	232.283	3.007	0	50	BGAA	in-vitro
CCc1ccc2nc(Cl)c(C=O)cc2c1	2578393	LZEZPJQSBFVYGR-UHFFFAOYSA-N	219.671	3.263	0	50	BGAA	in-vitro
CCCC[C@@H](CC)C(=O)Nc1nnc(C)s1	2863887	PYCNLXKOEBCGDU-SECBINFHSA-N	241.360	3.001	0	50	BGAA	
Fc1cccc(CN2CCCCCC2)c1	4990217	DCBGRAHEAXLERJ-UHFFFAOYSA-N	207.292	3.202	0	50	BGAA	
FC(F)(F)c1ccc([C@H]2CNCCS2)cc1	14808055	ZTAJHAOFIGRZJZ-SNVBAGLBSA-N	247.285	3.083	0	50	BGAA	in-vitro
O=C(O)c1ccc(-c2c(F)cccc2F)cc1	16052010	CWWIIKLXUPZDOG-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vivo
COC(=O)c1c(Cl)cc(Cl)cc1Cl	32299237	LUFCMMLEOPEUNU-UHFFFAOYSA-N	239.485	3.433	0	50	BGAA	
Cc1cncc2c(Br)cccc12	95704924	MGJAMTKUBKBVOL-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CC(C)n1ncc2c(Cl)cc(Cl)nc21	218463986	WFPOMKLPLPPWKL-UHFFFAOYSA-N	230.098	3.319	0	50	BGAA	in-vitro
Cc1cc(F)c(F)cc1OC(F)(F)F	263624082	NFQJELUTUNVJOX-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
Cc1ccc(Cl)c(Cl)c1/C=C/C(=O)O	263625423	ZVSDGISWMHGVOO-HWKANZROSA-N	231.078	3.400	0	50	BGAA	
Cc1nccn1Cc1ccc(C(F)F)cc1	274072082	PLASGQMEZXDPTI-UHFFFAOYSA-N	222.238	3.177	0	50	BGAA	
Cc1cccc(Nc2ncccc2C(=O)O)c1C	1824	XEQIPELDMSEBJG-UHFFFAOYSA-N	242.278	3.140	0	50	BGAA	biogenic,in-man
CCC(=O)c1ccc2cc(OC)ccc2c1	56841	LWOTXBQKJLOAOZ-UHFFFAOYSA-N	214.264	3.441	0	50	BGAA	biogenic,in-vitro
Cc1ccc(Sc2c(C)n[nH]c2C)cc1	189869	RVMKFXZYJZRTGS-UHFFFAOYSA-N	218.325	3.486	0	50	BGAA	
Cc1cccc(-c2cccc(C(=O)O)c2)c1	193228	BJVLFJADOVATRU-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	
C[C@@H](CNC(=O)c1cccs1)c1ccccc1	291477	ZVIZJNKVDUHEHE-NSHDSACASA-N	245.347	3.282	0	50	BGAA	
Cc1ccc(CNC(=O)NC2CCCCC2)cc1	369600	APEQGNADSFIBLK-UHFFFAOYSA-N	246.354	3.127	0	50	BGAA	
Fc1ccc(COc2ccccc2)cc1	564496	ZEBWKHSZNNVJBD-UHFFFAOYSA-N	202.228	3.405	0	50	BGAA	
CCCc1sc(N)nc1-c1ccc(OC)cc1	1459986	QCAAHIGZFFWUDT-UHFFFAOYSA-N	248.351	3.353	0	50	BGAA	
O=C(O)c1ccc(OC2CCCCC2)cc1	1690203	OTPHEAKUEAICPM-UHFFFAOYSA-N	220.268	3.096	0	50	BGAA	in-vitro
Clc1ccc([C@H]2OCCS2)cc1	2015581	SZAPXYMTZBFEND-VIFPVBQESA-N	200.690	3.102	0	50	BGAA	
Cc1cc(C)c2c(c1)c(C)cc1n[nH]c(=S)n12	3886667	ICVNTNDWRJGXMB-UHFFFAOYSA-N	243.335	3.470	0	50	BGAA	
CCC(=O)c1ccc(O[C@H]2CCCCO2)cc1	4566102	CVEVWMZMIUSRCW-AWEZNQCLSA-N	234.295	3.185	0	50	BGAA	
C[C@H](COc1ccc2ccccc2c1)N(C)C	6795502	KIXZRSGSEUGRLJ-GFCCVEGCSA-N	229.323	3.169	0	50	BGAA	
CC[C@H](Oc1ccccc1[C@H](C)CC)C(=O)O	10473492	XAMHWZJEVYGSKH-PWSUYJOCSA-N	236.311	3.442	0	50	BGAA	
O=C(Nc1ccccc1)Nc1ccccc1	12416741	GWEHVDNNLFDJLR-UHFFFAOYSA-N	212.252	3.331	0	50	BGAA	endogenous,in-man
CCCN1CCC[C@@H](c2cccc(OC)c2)C1	13738257	IOENUXNLWXMOQG-CQSZACIVSA-N	233.355	3.285	0	50	BGAA	
Cc1ccc(NC(=O)CCc2ccsc2)cn1	20773855	FMNOKZPNFMGWJT-UHFFFAOYSA-N	246.335	3.023	0	50	BGAA	
Cc1cc(C)c(-c2cc(N(C)C)ncn2)c(C)c1	32550972	XMAZHWBLCJYLME-UHFFFAOYSA-N	241.338	3.135	0	50	BGAA	
CCOC(=O)Cc1ccc(C(C)(C)C)cc1	43503445	LXKSSIOVDWTNFP-UHFFFAOYSA-N	220.312	3.090	0	50	BGAA	
CC(=O)CC12CC=CCC1(C(C)=O)CC=CC2	45071541	RFBOFIMHYUADJK-UHFFFAOYSA-N	232.323	3.227	0	50	BGAA	
Fc1ccc(Br)cc1N1CCCC1	65337223	BTRJHVUIVJNGBI-UHFFFAOYSA-N	244.107	3.188	0	50	BGAA	in-vitro
CCCCn1c(Cl)cnc1CCC	71773930	FNBXDARAEIGJDE-UHFFFAOYSA-N	200.713	3.289	0	50	BGAA	
Clc1cc2ccc(Br)nc2cn1	222948881	UFXOEBBDNYGXSM-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
C[C@H](c1cccc(O)c1)c1nc(C2CCC2)no1	1615572450	YWPCJBHWMXDIRA-SECBINFHSA-N	244.294	3.195	0	50	BGAA	
CCSc1ncnc2[nH]c3cc(F)ccc3c12	1875389677	YGOZSXSWSRMUGC-UHFFFAOYSA-N	247.298	3.362	0	50	BGAA	
O=C(O)CCSc1ccc2ccccc2c1	101228	XMQJAJQNGNSZFY-UHFFFAOYSA-N	232.304	3.407	0	50	BGAA	in-vitro
O=C(CCc1ccccc1)Nc1ccc(F)cc1	136111	OIWMUPBNVSEYPP-UHFFFAOYSA-N	243.281	3.397	0	50	BGAA	
O=Cc1ccc(Sc2ccccc2)o1	308774	KQQAWPFBGKQMAF-UHFFFAOYSA-N	204.250	3.243	0	50	BGAA	
CCC(=O)Nc1cccc(-c2csc(C)n2)c1	451987	WOEYTJQQPDJRGR-UHFFFAOYSA-N	246.335	3.467	0	50	BGAA	
Cc1cc(Cl)ccc1NC(=O)c1ccncc1	453111	SMUFBHNERKPHRT-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
CC(C)SCc1nc2ccccc2[nH]1	473018	RQTSQMIZVOXTDU-UHFFFAOYSA-N	206.314	3.205	0	50	BGAA	
O=C(O)c1cccnc1Nc1ccc(Cl)cc1	1329537	YEXIXVLEDGNAKM-UHFFFAOYSA-N	248.669	3.177	0	50	BGAA	in-vivo
Clc1ccc(-c2nc3ccccc3[nH]2)cn1	1403030	YCANYPPCSFCTEN-UHFFFAOYSA-N	229.670	3.278	0	50	BGAA	in-vitro
CCCCC(=O)Nc1ccccc1CC	2057619	ROPUNRZPMCQAGI-UHFFFAOYSA-N	205.301	3.378	0	50	BGAA	
CNCCOc1c(Cl)ccc2ccccc12	2844253	JYGNWHMHDIZVPI-UHFFFAOYSA-N	235.714	3.091	0	50	BGAA	
O=C(O)c1cc2ccc(Cl)cc2s1	4235095	AVAGKGZNBMZOLD-UHFFFAOYSA-N	212.657	3.253	0	50	BGAA	in-vitro
CCCOc1ccc(Cl)cc1CNCC	20928819	NLCQBGZZDKLUHE-UHFFFAOYSA-N	227.735	3.238	0	50	BGAA	
Cc1c(C(=O)O)cccc1-c1ccc(F)cc1	47207113	ZGHLCSJYCUJKPK-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	
Clc1cccc2nc(Br)ncc12	238614618	OCSCBIXEPUZHOM-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
CCCOc1cc(O)cc(Cl)c1OCC	261493970	MXHBRTNAJPVCEV-UHFFFAOYSA-N	230.691	3.233	0	50	BGAA	
OCc1cc(Cl)c(Cl)c(OC(F)F)c1	263623991	MLDRKYHWHLZXED-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
Cc1cnc(NCC2CCSCC2)s1	306320018	STPKATPABOXOSQ-UHFFFAOYSA-N	228.386	3.007	0	50	BGAA	
CC(=O)c1ccc(-c2cccs2)nc1	390822288	ZKBXTLCGULKGJZ-UHFFFAOYSA-N	203.266	3.013	0	50	BGAA	
CC(C)(C)n1ncnc1CCCc1cccs1	670443382	UBPGENYJIUZHIJ-UHFFFAOYSA-N	249.383	3.270	0	50	BGAA	
Cc1ccc(-c2nccn2[C@@H](C)C2(O)CC2)s1	1875249711	RYGNOBJIVPIRAX-JTQLQIEISA-N	248.351	3.006	0	50	BGAA	
c1ccc(Oc2ncnc3sccc23)cc1	102244	AYOZUERHDBIGSH-UHFFFAOYSA-N	228.276	3.484	0	50	BGAA	
O=C(Nc1ccccc1F)c1ccccc1F	139699	PDVDKAQLDCYOJI-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
COc1ccc(CCc2ccc(OC)cc2)cc1	242342	YPJNONWWTLUVEF-UHFFFAOYSA-N	242.318	3.489	0	50	BGAA	
Cc1cc(C)cc(C(=O)Nc2cc(C)ccn2)c1	558420	XKNOESIFMAXSMS-UHFFFAOYSA-N	240.306	3.259	0	50	BGAA	
Cc1cc(C2CC2)nc(Nc2ccccc2)n1	900539	HAORKNGNJCEJBX-UHFFFAOYSA-N	225.295	3.406	0	50	BGAA	endogenous,in-man
O=C(O)Cc1ccc(-c2cccc(F)c2)cc1	1258977	UCTPBVNGTSRBFG-UHFFFAOYSA-N	230.238	3.120	0	50	BGAA	in-vitro
CCCCSCc1cc(C(=O)O)oc1C	3173051	GELLZSIDRRZODN-UHFFFAOYSA-N	228.313	3.320	0	50	BGAA	in-vitro
CCC(=O)Nc1cccc(O[C@H](C)CC)c1	10715413	FHIRAEGSHUBAFN-SNVBAGLBSA-N	221.300	3.212	0	50	BGAA	
CCc1cccc(C)c1NC(=O)C1CCC1	13326547	UDNOCJYDTAEWEE-UHFFFAOYSA-N	217.312	3.296	0	50	BGAA	
Cc1cc(C)cc(C(=O)c2ccccc2N)c1	34108295	OUFIDNDQXKGXPR-UHFFFAOYSA-N	225.291	3.117	0	50	BGAA	
CC(C)Oc1ccc(C(F)(F)F)cc1O	95710697	IINQPAKRGOLQFF-UHFFFAOYSA-N	220.190	3.198	0	50	BGAA	
c1c[nH]c(C23CC4CC(CC(C4)C2)C3)c1	137839496	UFEYSLWXIVXTAH-UHFFFAOYSA-N	201.313	3.483	0	50	BGAA	
C[C@@H]1CN(Cc2cccnc2)[C@H]1c1ccccc1	245435552	QLSPNQLJOCQGOJ-CZUORRHYSA-N	238.334	3.275	0	50	BGAA	
CC(C)SCC(=O)N[C@@H](C)C1=CCCCC1	827989619	CTAPCEUGVFDBEM-NSHDSACASA-N	241.400	3.133	0	50	BGAA	
COc1cccc2c1NC(C)(C)C[C@@H]2C	33777	VRGWTUYPGVAHGX-VIFPVBQESA-N	205.301	3.393	0	50	BGAA	
Cc1cc(Cl)ccc1NC(=O)c1cccnc1	145352	HQMLDAPFSZGWOD-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
Cc1cccc(OC(=O)c2ccco2)c1C	344580	RAWQHYLTXJWEMC-UHFFFAOYSA-N	216.236	3.116	0	50	BGAA	
O=C(Nc1ccc(F)cc1)c1cccc(F)c1	361835	HVJPHLJRQXPVKA-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
Cc1ccc(NC(=O)Nc2nccs2)cc1C	401775	WYQWZOQHTJGJNA-UHFFFAOYSA-N	247.323	3.404	0	50	BGAA	
COc1ccc(Cl)cc1NC(=O)CC(C)C	442205	PDQSVUFZNOBXNW-UHFFFAOYSA-N	241.718	3.333	0	50	BGAA	
O[C@H](/C=C/c1ccccc1)c1ccccc1	2561348	ORACYDGVNJGDMI-AYJWMTRPSA-N	210.276	3.433	0	50	BGAA	in-vitro
CCCCCC1(C(C)=O)CCC(=O)CC1	4060447	GJXMOHHZQBYQQC-UHFFFAOYSA-N	210.317	3.285	0	50	BGAA	
Clc1ccc(NC[C@H]2CCCN2)cc1Cl	12404720	VIDKCBAAQDVCQS-SECBINFHSA-N	245.153	3.157	0	50	BGAA	
O=C(c1ccccn1)c1cc2ccccc2o1	20592582	AIWBXPOZNQQOQG-UHFFFAOYSA-N	223.231	3.059	0	50	BGAA	in-vitro
O=C(O)c1ccncc1-c1ccc(Cl)cc1	33369570	LAOMBDDCLXTVHW-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
COc1cc(-c2ccccc2N)ccc1F	74937787	JTRHYQHOKRFSIG-UHFFFAOYSA-N	217.243	3.084	0	50	BGAA	in-vitro
CC(C)c1cc(O)n(-c2ccc(Cl)cc2)n1	100072206	DADGWHCOLDIOLR-UHFFFAOYSA-N	236.702	3.355	0	50	BGAA	
CCC1(Cc2ccccc2)CCNCC1	116394691	ZKFUYPZVEGZRNG-UHFFFAOYSA-N	203.329	3.009	0	50	BGAA	
Cc1cnc(CNc2ccc(C)c(F)c2)o1	152265068	PNFXLULMAAVJOM-UHFFFAOYSA-N	220.247	3.043	0	50	BGAA	
Cc1cc([C@H](C)NCCc2ccccn2)oc1C	225732115	QWEWXAWWLVHRMX-LBPRGKRZSA-N	244.338	3.185	0	50	BGAA	
O=C(O)/C=C/c1cc(Cl)c(F)c(Cl)c1	263624169	OBCGVJIOENGLLS-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
Cc1cc(-c2ccnnc2)ccc1OC(F)F	1242061284	ATTMHLVXWLZWEY-UHFFFAOYSA-N	236.221	3.053	0	50	BGAA	
CC[C@@]12C[C@@H]1CN(c1nccc3ccccc13)C2	1772811343	SZBVHFICTQEIRK-CJNGLKHVSA-N	238.334	3.471	0	50	BGAA	
Cc1ccc(F)c(-c2nccn2C2CC2)c1F	1875241325	AMNGEVIRHHFUAC-UHFFFAOYSA-N	234.249	3.472	0	50	BGAA	
CC[C@H](Oc1ccc2ccccc2c1)C(=O)O	245868	QRVVQLDMZUSLKF-ZDUSSCGKSA-N	230.263	3.082	0	50	BGAA	biogenic
CC(=O)SCc1ccc(Br)cc1	404096	KRTXWFPVIBMGFF-UHFFFAOYSA-N	245.141	3.229	0	50	BGAA	
CC(=O)c1ccc(NC(=O)[C@H]2CC23CCC3)cc1	894365	GUZSCBUGHAUBIN-CYBMUJFWSA-N	243.306	3.018	0	50	BGAA	
CCCCC(=O)c1ccc(OCC)cc1	2774774	DUECLJUTAAHBSG-UHFFFAOYSA-N	206.285	3.458	0	50	BGAA	
CCSC(=O)NC12CC3CC(CC(C3)C1)C2	4010701	ZCCUEASBEKBFMD-UHFFFAOYSA-N	239.384	3.418	0	50	BGAA	
CCOC(=O)c1cc2cc(OC(C)C)ccc2[nH]1	66324233	UIEPRCRCRNLUSI-UHFFFAOYSA-N	247.294	3.132	0	50	BGAA	
O=C1Nc2ccccc2[C@H]1Cc1ccc(F)cc1	101016062	MOKMYOLLKFQNBE-CYBMUJFWSA-N	241.265	3.104	0	50	BGAA	
Cc1c(C)c(C=O)c(C)c(C)c1Br	140366232	XLAVJCMGFBXRHR-UHFFFAOYSA-N	241.128	3.495	0	50	BGAA	
Clc1csc(NCCc2ccco2)n1	164993420	MZGFIJPNYSRBAV-UHFFFAOYSA-N	228.704	3.044	0	50	BGAA	
O=C(c1ccoc1)N1CCC=Cc2ccccc21	190134143	CJZDDRBVHNPYIS-UHFFFAOYSA-N	239.274	3.343	0	50	BGAA	
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CCC1	265490	XYYAFLHHHZVPRN-GXTWGEPZSA-N	232.279	3.384	0	50	BGAA	biogenic,in-vitro
CC(C)C(=O)Nc1ccc(Br)cc1	302187	AVQYIQZFJLEKGK-UHFFFAOYSA-N	242.116	3.044	0	50	BGAA	
CCC(=O)Nc1cccc(Cl)c1Cl	361851	HYUVDTLWUUSQLJ-UHFFFAOYSA-N	218.083	3.342	0	50	BGAA	
COc1ccc(C)cc1NC(=O)c1ccoc1C	460649	HPWMYRNWEOPAMY-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
C[C@@H](O)C(c1ccccc1)c1ccccc1	2032454	BDZAWYBXBHTHFM-GFCCVEGCSA-N	212.292	3.199	0	50	BGAA	in-vitro
CCCOc1c(Cl)cc(C(=O)O)cc1Cl	2567022	IMSKTSQBDRLEBN-UHFFFAOYSA-N	249.093	3.480	0	50	BGAA	in-vitro
CC(=O)c1ccc(NC(=O)CC2CCC2)cc1	2877336	PDXLUJBWYSQDKU-UHFFFAOYSA-N	231.295	3.018	0	50	BGAA	
c1cc(CNCc2ccsc2)cs1	12404741	XTHUEYDCVKOMAL-UHFFFAOYSA-N	209.339	3.099	0	50	BGAA	in-vitro
Nc1ccc(Cl)c([C@@H](O)c2ccccc2)c1	16625250	PDZFPQVISAJZFY-ZDUSSCGKSA-N	233.698	3.004	0	50	BGAA	
CCN(CC)Cc1ccc(Br)cc1	39975167	SXEJQBLAVTUYPB-UHFFFAOYSA-N	242.160	3.291	0	50	BGAA	
CCC(CC)c1nc2c(cnn2CC(C)C)[nH]1	48194564	QBZPZDMHKRTWHP-UHFFFAOYSA-N	234.347	3.319	0	50	BGAA	
CC(=O)OCC1[C@]23CC=CC[C@@]12CCCC3	101037383	NEVSGDHNBMPVQO-ZIAGYGMSSA-N	220.312	3.076	0	50	BGAA	
Cc1cnc(-c2noc([C@@H]3CC=CCC3)n2)s1	333758767	ZHCXTISWMXMBLO-SECBINFHSA-N	247.323	3.325	0	50	BGAA	
CCc1cccc(NC(=O)c2ccc[nH]2)c1CC	408514472	FDCBQHTXLBORDQ-UHFFFAOYSA-N	242.322	3.392	0	50	BGAA	
CC(=O)c1cccc(-c2noc(C3CCC3)n2)c1	725273563	LCXGLICQGSVHCY-UHFFFAOYSA-N	242.278	3.207	0	50	BGAA	
CC(C)C(=O)c1c(C(C)C)nn2ccccc12	4234	ZJVFLBOZORBYFE-UHFFFAOYSA-N	230.311	3.296	0	50	BGAA	biogenic,world
CCOc1ccc(NC(=O)c2cccs2)cc1	62038	UXFCUPWIXSFABY-UHFFFAOYSA-N	247.319	3.399	0	50	BGAA	
O=C(Oc1ccccc1)C1[C@@H]2CCCC[C@@H]12	301242	FWCAIPYXFUGLMN-VXGBXAGGSA-N	216.280	3.028	0	50	BGAA	
O=C(C=C(Cl)Cl)c1ccc([N+](=O)[O-])cc1	436486	JRHBISYEJJGZOS-UHFFFAOYSA-N	246.049	3.097	0	50	BGAA	
CC(=O)N1Cc2ccccc2-c2ccccc2C1	758857	MBGHUVMNSLRHKU-UHFFFAOYSA-N	237.302	3.216	0	50	BGAA	
S=c1[nH]ccn1-c1ccccc1Cl	1587328	XOCLHGYTLWVXQB-UHFFFAOYSA-N	210.689	3.188	0	50	BGAA	in-vitro
Cc1ccccc1[C@@]1(CCN)CCOC(C)(C)C1	3185080	XYUPEYRXKSKWTG-INIZCTEOSA-N	247.382	3.171	0	50	BGAA	
c1csc(Cc2nc3ccccc3[nH]2)c1	3242208	UXWIZVBLHAEXPC-UHFFFAOYSA-N	214.293	3.215	0	50	BGAA	
Cc1ccc(OCc2ccccc2C(=O)O)cc1	4107687	WIXMNHDXMGVQOY-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
Cc1cccc(CC(=O)NC2CCCCCC2)c1	6731383	VHSYKNQRCQZRPJ-UHFFFAOYSA-N	245.366	3.377	0	50	BGAA	
C[C@@H]1CCCN(c2c(N)cccc2Cl)C1	8702449	NKWBFZYHOQYFCC-SECBINFHSA-N	224.735	3.159	0	50	BGAA	in-vitro
CC(=O)Nc1cccc(-c2ccc(F)cc2O)c1	67934173	YLANONPSJVHIPF-UHFFFAOYSA-N	245.253	3.157	0	50	BGAA	
C[C@H]1CCC[C@@H](CSc2nnc(N)s2)C1	185481845	JFANMFJUVMXIQS-JGVFFNPUSA-N	243.401	3.039	0	50	BGAA	
CCCCCC[C@H](C)N[C@H](C)c1cn[nH]c1	222513473	PRPFUBSTUIUSDZ-NWDGAFQWSA-N	223.364	3.419	0	50	BGAA	
Cc1cc(C)nc(SC(=O)OC(C)(C)C)n1	86537	POTDIELOEHTPJN-UHFFFAOYSA-N	240.328	3.121	0	50	BGAA	
Cc1ccc2oc(C(F)F)cc(=O)c2c1	112311	YODBWZXLTPCVBY-UHFFFAOYSA-N	210.179	3.039	0	50	BGAA	
CC(C)Oc1ccc([C@@H](C)CC(=O)O)cc1	395698	RTXMHHODBNYMGH-JTQLQIEISA-N	222.284	3.052	0	50	BGAA	
O=C(Nc1cc(Cl)ccc1Cl)C1CC1	401521	ZJZRKSAGIZNFTO-UHFFFAOYSA-N	230.094	3.342	0	50	BGAA	
Clc1ccc(CNCc2ccco2)cc1	535806	FBLWJPWFDPEJMW-UHFFFAOYSA-N	221.687	3.223	0	50	BGAA	in-vitro
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)O	3063328	FUPGQEMJIGUBGO-NSHDSACASA-N	242.274	3.206	0	50	BGAA	
Cc1ccc(F)c(NC(=O)c2cccs2)c1	4842204	VRKQBENHLPQOLA-UHFFFAOYSA-N	235.283	3.448	0	50	BGAA	
CC1(C)C=C(c2ccc(O)cc2O)CC(C)(C)N1	4989962	GJGRQYCLYDELMN-UHFFFAOYSA-N	247.338	3.032	0	50	BGAA	
O=C1CCCc2[nH]c(-c3ccc(F)cc3)c(O)c21	6657993	PWUKWTKUPIAHBL-UHFFFAOYSA-N	245.253	3.045	0	50	BGAA	
Cc1ccc(C(=O)Nc2cc(N)ccc2C)cc1	9264600	CLFFDGVUHIXZJR-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
Cc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1	38068117	XYNYMRQCAUBBRV-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Fc1cnc(Cl)nc1Nc1ccccc1	59873181	GMENDZXFDSRILX-UHFFFAOYSA-N	223.638	3.013	0	50	BGAA	
CC(=O)N1CCC[C@@H](CCc2cccc(F)c2)C1	65526256	YEQUTZFQLWQHJQ-AWEZNQCLSA-N	249.329	3.017	0	50	BGAA	
c1csc(CSc2nc3ncccc3[nH]2)c1	96027878	GVGRLUFRFLAAPX-UHFFFAOYSA-N	247.348	3.312	0	50	BGAA	
c1ccc(C2(N[C@H]3CCCSC3)CC2)cc1	134821142	QDSFPCHSWLANCY-ZDUSSCGKSA-N	233.380	3.161	0	50	BGAA	
CCc1c(Br)cccc1OC	149184788	BJQXOXAULNHMPM-UHFFFAOYSA-N	215.090	3.020	0	50	BGAA	
Cc1ccc2c(c1)[C@@H](Nc1cnn(C)c1)[C@H](C)C2	157340892	FIBCXDZBYPFGQV-ABAIWWIYSA-N	241.338	3.074	0	50	BGAA	
FC(F)(F)c1cc(Cl)cnc1S	238567718	SANXMHIMKSALFK-UHFFFAOYSA-N	213.611	3.043	0	50	BGAA	
Cc1cc(Cl)c(Cl)c(/C=C/C(=O)O)c1	263624149	NVNYUPNYXYVHDR-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
Cc1cc(C)c2nccc(-c3ccnn3C)c2c1	426517765	DANCORNSGIJFOL-UHFFFAOYSA-N	237.306	3.252	0	50	BGAA	
Cc1cc(CNc2nn(C)cc2C)ccc1Cl	657813216	ZXDQSCUPEZNTAV-UHFFFAOYSA-N	249.745	3.302	0	50	BGAA	
COc1ccc(-c2cc(C)c(C)nc2O)cc1F	1506407921	LEVKSBUOUBXGJE-UHFFFAOYSA-N	247.269	3.219	0	50	BGAA	
Cc1ccc(COc2cccc(C=O)c2)cc1	65220	RALZJSWDPJNFQA-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)N2CCCCC2)cc1C	397175	GQUFBXAIKNGSLC-UHFFFAOYSA-N	232.327	3.321	0	50	BGAA	
COc1cccc([C@@H](O)c2cccc(Cl)c2)c1	4242586	OHGNGRZLJIHLIA-AWEZNQCLSA-N	248.709	3.430	0	50	BGAA	
CCCNCc1c(Cl)cccc1Cl	6380467	RWUWXULYALWAGV-UHFFFAOYSA-N	218.127	3.493	0	50	BGAA	
Cc1ccccc1[C@@H](C)NC(=O)C1CCCC1	42162433	OCUXSSJFMLGOOI-GFCCVEGCSA-N	231.339	3.362	0	50	BGAA	
CC1(C)C[C@@H]1C(=O)NC1(c2ccccc2)CCC1	119615211	QQHWTNQOKWEREA-CYBMUJFWSA-N	243.350	3.228	0	50	BGAA	
COCc1ccc(Br)cc1Cl	125905025	ADKKDEXWXCYOGC-UHFFFAOYSA-N	235.508	3.249	0	50	BGAA	
CCC(=O)c1cc([C@H](C)CC)ccc1O	200421807	POCCFHQORQGCPD-SECBINFHSA-N	206.285	3.498	0	50	BGAA	
CC(C)[C@@H]1CCC(=O)C[C@H]1OC(C)(C)C	725359557	DMILFRQBAGRILC-NWDGAFQWSA-N	212.333	3.195	0	50	BGAA	
c1ccc(-c2noc(-c3ccccc3)n2)cc1	88036	VIZNDSYPXQJMCM-UHFFFAOYSA-N	222.247	3.404	0	50	BGAA	
Cc1ccc2oc(-c3ccc(N)cc3)nc2c1	122964	TZIKYKSWQZSLOO-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
CCNc1nnc(-c2ccc(Cl)cc2)s1	313962	JNWVVBSLYPYCIR-UHFFFAOYSA-N	239.731	3.290	0	50	BGAA	
COc1ccc([C@@H](O)c2ccc(C)cc2)cc1	1562061	STWAGNDOTLFTSV-HNNXBMFYSA-N	228.291	3.085	0	50	BGAA	
O=C(c1cccc(C(F)(F)F)c1)C(F)(F)F	1685927	MDCHHRZBYSSONX-UHFFFAOYSA-N	242.118	3.450	0	50	BGAA	in-vitro
COC(=O)c1sc(-c2ccccc2)c(C)c1N	2528660	OOMHXGLUIHHLOC-UHFFFAOYSA-N	247.319	3.092	0	50	BGAA	
CC(C)Oc1ccc(C=O)cc1Br	2597462	QKKWLPJYKNZGRV-UHFFFAOYSA-N	243.100	3.049	0	50	BGAA	in-vitro
N=C1Cc2ccccc2CN1c1ccccc1	3880447	DILLVVUEXAEBIC-UHFFFAOYSA-N	222.291	3.227	0	50	BGAA	
Cc1ccnc(NC(=S)NC2CCCCC2)c1	5225270	KSKJYRKFHFCVFG-UHFFFAOYSA-N	249.383	3.009	0	50	BGAA	
Oc1cc2cc(Cl)nc(Cl)c2c(Cl)n1	6224220	QABCEYXUQMDFNA-UHFFFAOYSA-N	249.484	3.296	0	50	BGAA	
O=c1c(-c2ccccc2)coc2cc(O)ccc12	13518422	WMKOZARWBMFKAS-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	biogenic,in-vitro
CC(C)CNC(=O)c1ccccc1C(F)(F)F	16652167	QSFAOLWJYNHKEP-UHFFFAOYSA-N	245.244	3.091	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cccc(Cl)c1N	72482070	FLSCKYWYOFQHEO-UHFFFAOYSA-N	242.706	3.269	0	50	BGAA	
Cc1cc(N)ccc1Oc1ccc(O)cc1	220295007	PEKZMGRDWXNMAH-UHFFFAOYSA-N	215.252	3.075	0	50	BGAA	
O=C(O)/C=C/c1c(Cl)ccc(Cl)c1F	263623915	LUILXZDRKJCEJP-DAFODLJHSA-N	235.041	3.230	0	50	BGAA	
O=c1cc(-c2ccccc2)oc2ccc(O)cc12	57677	GPZYYYGYCRFPBU-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	endogenous,in-vitro
Clc1nnc(N2CCCCC2)c2ccccc12	248796	GZHRIJILPSVIKI-UHFFFAOYSA-N	247.729	3.274	0	50	BGAA	
Cc1ccccc1NC(=O)C1[C@@H]2CCCC[C@@H]12	300890	KDKAQQOPQDYKCS-VXGBXAGGSA-N	229.323	3.370	0	50	BGAA	
O=C(O)c1ccccc1Cc1cccs1	339063	HPADQOOYORSPFA-UHFFFAOYSA-N	218.277	3.037	0	50	BGAA	
Cc1cccc(NC(=O)CCC2CCCC2)n1	461247	DDZHTGCUPNDHHG-UHFFFAOYSA-N	232.327	3.299	0	50	BGAA	
COC(=O)c1ccc(-c2cccc(C)c2)cc1	1258019	DUPICUHZBSNQFM-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
Cc1cc(C(C)(C)C)ccc1SCCO	2163753	WQPMOUTXCIPKQQ-UHFFFAOYSA-N	224.369	3.377	0	50	BGAA	
O=C(O)c1cc2c(Cl)cc(Cl)cc2[nH]1	2557959	DHXISZKSSIWRLH-UHFFFAOYSA-N	230.050	3.173	0	50	BGAA	biogenic,in-vivo
CSc1ccccc1C(=O)NCCC(C)C	2891028	ALSQXEHEUGEKBT-UHFFFAOYSA-N	237.368	3.184	0	50	BGAA	
O[C@@H]1Cc2ccc(cc2)CCc2ccc1cc2	3136798	LOQNLLTWPGRWEF-MRXNPFEDSA-N	224.303	3.061	0	50	BGAA	
CCCCCOc1ccc2cc(C(=O)O)[nH]c2c1	3748722	QPNSGTAFBVDGOQ-UHFFFAOYSA-N	247.294	3.435	0	50	BGAA	
COc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1	4242594	NXYTXXDCDYWBOQ-AWEZNQCLSA-N	248.709	3.430	0	50	BGAA	
CC(=O)c1cc(Cl)ccc1Br	39236153	BCQAWQMDMPBDBW-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
CC/C=C\CCc1nc2ccccc2[nH]1	55255751	VSYMKECPVWOGPM-ARJAWSKDSA-N	200.285	3.462	0	50	BGAA	
Fc1cc(F)c(CC(F)(F)F)cc1F	66329414	SCJWIQGCOCACST-UHFFFAOYSA-N	214.108	3.209	0	50	BGAA	
O=C(CCc1cccc2ccccc12)NC1CC1	67338849	RADXUGWXOZAPRQ-UHFFFAOYSA-N	239.318	3.051	0	50	BGAA	
COc1ccc2cc(Br)cnc2c1	71250877	BOTSUSKVHVRQAY-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
CN(CCCc1ccco1)Cc1cccc(O)c1	244748604	OKTHKKYMAJVDPU-UHFFFAOYSA-N	245.322	3.050	0	50	BGAA	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)C1CCCC1	247723421	BZXOABZMDMMILA-CAEXGNQWSA-N	247.382	3.118	0	50	BGAA	
CCCC[C@H](C)C(=O)N[C@@H]1CCCc2[nH]ccc21	253395707	PHVPNCNROWFNQR-SMDDNHRTSA-N	248.370	3.335	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)CC2=CCCC2)cn1	1857693720	JLKLVJZFIUPQGS-LBPRGKRZSA-N	244.338	3.068	0	50	BGAA	
CCCN1CCC(NC2CCCCCC2)CC1	221264	HGTBLMDSWHTPMM-UHFFFAOYSA-N	238.419	3.173	0	50	BGAA	
COc1ccc(CNc2ccc(OC)cc2)cc1	394972	BLQPPHRONOIFIJ-UHFFFAOYSA-N	243.306	3.316	0	50	BGAA	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1	407535	RETFJFAJKJBJAY-GXTWGEPZSA-N	231.339	3.304	0	50	BGAA	
O=C(O)c1cccc2c(Cl)cccc12	531346	CPGDMBASSDNQIS-UHFFFAOYSA-N	206.628	3.191	0	50	BGAA	in-vitro
Cc1csc(CCc2nc(C)cs2)n1	608498	YJSGWIRZGHCBPW-UHFFFAOYSA-N	224.354	3.002	0	50	BGAA	
Cc1cccc(C(=O)Oc2ccc(C=O)cc2)c1	1509373	WYLSMWFMAPQCCF-UHFFFAOYSA-N	240.258	3.027	0	50	BGAA	
Cc1ccc(NC(=O)c2ccccc2N)cc1C	4306887	FYCFCRRBRLVDGR-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
Cc1cccc(OCCN2C[C@H](C)C[C@@H](C)C2)c1	4906296	QQBAVMQRULVQPC-HUUCEWRRSA-N	247.382	3.352	0	50	BGAA	
CC[C@@H](C(=O)NCc1ccco1)c1ccccc1	5476828	QRNRCWAEGLFQSU-CQSZACIVSA-N	243.306	3.090	0	50	BGAA	
C[C@@H](SCc1ccc(Cl)cc1)C(=O)O	6795371	KUNWCLBBXUZVJX-SSDOTTSWSA-N	230.716	3.046	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)c2cccc(N)c2)cc1C	7468085	HCRWFSZDROXVOQ-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
CCCOc1ccc(NC(=O)c2ccoc2)cc1	12274856	LCIFLNQCFODFQK-UHFFFAOYSA-N	245.278	3.321	0	50	BGAA	
C[C@@H]1Cc2ccccc2N1C(=O)NC1CCCC1	13328395	JUVLBOCRGLORPB-LLVKDONJSA-N	244.338	3.090	0	50	BGAA	
Cc1cc(Br)cc2cc[nH]c12	44672274	HOUJSOAXJSBNRH-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
NCC1(c2nc3ccccc3s2)CCCC1	45206481	HAHKXWDPKKPHSC-UHFFFAOYSA-N	232.352	3.067	0	50	BGAA	in-vitro
CC1(C)CCC[C@H](NCCNc2cccnc2)C1	67692188	KYHMOYRKWBZLKG-ZDUSSCGKSA-N	247.386	3.052	0	50	BGAA	
COc1ccc(OC)c(-n2ccnc2C(C)C)c1	71757148	KKOUDYVAFVPUDO-UHFFFAOYSA-N	246.310	3.013	0	50	BGAA	
CC(C)(C)Nc1cc(Br)ccc1N	83730731	XJZIXRNBUGMBOI-UHFFFAOYSA-N	243.148	3.242	0	50	BGAA	
O=C(C1=CCCCCC1)N1CCC12CCC2	336366410	IFGFLDYFUMITQT-UHFFFAOYSA-N	219.328	3.032	0	50	BGAA	
Cc1cc(C)n(-c2ccc3ccccc3n2)n1	190679	NFKMSOIIAKQLBZ-UHFFFAOYSA-N	223.279	3.037	0	50	BGAA	
CC[C@H](NC(=O)C1CCC1)c1ccc(C)cc1	356044	MAUNUBZUQAWSGA-AWEZNQCLSA-N	231.339	3.362	0	50	BGAA	
O=C(O)[C@@H](OCc1ccccc1)c1ccccc1	392262	BGTPJDGURCMYML-AWEZNQCLSA-N	242.274	3.029	0	50	BGAA	biogenic
CC(C)(C)C(=O)CNC1C2CC3CC(C2)CC1C3	753498	XJDQLQIOGQXLGH-UHFFFAOYSA-N	249.398	3.016	0	50	BGAA	
O=Cc1ccc(-c2ccc(F)cc2)cc1	1257053	ZVMXCNFUJPLQFT-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	in-vitro
CCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C	6699344	YALNGVQVNBYWBB-QWRGUYRKSA-N	211.349	3.118	0	50	BGAA	
CC(C)(C)Cc1nc(-c2ccccc2)no1	6730576	HIUROPJQZJETGL-UHFFFAOYSA-N	216.284	3.325	0	50	BGAA	
CCc1ccccc1NC(=O)c1cccc(N)c1	7468580	HWDVQMUXGBTNHN-UHFFFAOYSA-N	240.306	3.084	0	50	BGAA	
S=C1NC2(CCCCC2)Nc2ccccc21	13571445	OAQXDLBZPHDYGX-UHFFFAOYSA-N	232.352	3.038	0	50	BGAA	
O=Cc1ccc(OCc2ccccc2)cc1F	38875111	KRCUZBWXZUPORH-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	
CCN(CC)c1nc(-c2ccccc2)ns1	120354665	PBEXQMGQLLHBLH-UHFFFAOYSA-N	233.340	3.051	0	50	BGAA	
c1coc(-c2nnc(C3CCCCC3)o2)c1	55466	IAAOMKAIGZLRAW-UHFFFAOYSA-N	218.256	3.377	0	50	BGAA	
CCOc1ccc2c(c1)C(=O)c1cc(O)ccc1-2	318202	HLERULOIKJNSNL-UHFFFAOYSA-N	240.258	3.002	0	50	BGAA	
Cc1cccc(C(=O)N[C@H]2CCCC[C@H]2C)c1	382351	IWDUSYOWKCLIHJ-OCCSQVGLSA-N	231.339	3.304	0	50	BGAA	
Cc1ccc2c(c1)CCCN2C(=O)c1ccco1	1055479	PGCSRULRGOMCKS-UHFFFAOYSA-N	241.290	3.181	0	50	BGAA	
CCC[C@@H](C)C(=O)N[C@@H](C)c1ccccc1	2065091	KFFARRBSTQMRAZ-NEPJUHHUSA-N	219.328	3.300	0	50	BGAA	
CC(=O)c1cccc(C(F)(F)F)c1F	2169755	LJCNLAUPUYILQZ-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	in-vitro
CCCCNC(=O)C1(c2ccccc2)CCCC1	2313884	ZXLTUCQUMXDNOF-UHFFFAOYSA-N	245.366	3.415	0	50	BGAA	
Cc1cc(C)cc(OCc2ccc(C=O)o2)c1	2557863	HIIUTXJHRYIGQA-UHFFFAOYSA-N	230.263	3.288	0	50	BGAA	
FC(F)[C@@H]1C[C@H](c2ccccc2)Nc2ccnn21	2782639	RELKPDKPDFACSX-MNOVXSKESA-N	249.264	3.246	0	50	BGAA	
CCCCN1C2=NCCN2c2cc(C)c(C)cc21	2847355	LZYKGTQGQNWPHK-UHFFFAOYSA-N	243.354	3.100	0	50	BGAA	
Cc1cc(C)cc(C(=O)Nc2ncc(C)s2)c1	3555855	NVFRDUOYGHJPLE-UHFFFAOYSA-N	246.335	3.321	0	50	BGAA	
CSc1ccc(CNCc2ccncc2)cc1	4413635	DGUKNBFDDUBTGP-UHFFFAOYSA-N	244.363	3.093	0	50	BGAA	
O=C(Cc1cccc(F)c1)Nc1ccc(F)cc1	12137881	AQAWHASCSAECOU-UHFFFAOYSA-N	247.244	3.146	0	50	BGAA	
Cc1cccc(NC(=O)C2CCC2)c1C	13326471	KZRGOWHIBIXZKC-UHFFFAOYSA-N	203.285	3.042	0	50	BGAA	
CC(C)Oc1cccc(NC(=O)C(C)(C)C)c1	71384644	SLOFGTGIMOVNRD-UHFFFAOYSA-N	235.327	3.458	0	50	BGAA	
CN[C@@]1(c2ccccc2)CCCC[C@@H]1C	96026886	LCQYIUFPUWBTAD-JSGCOSHPSA-N	203.329	3.311	0	50	BGAA	
Nc1ccc(-c2ccc(Cl)s2)nc1	122877833	DLVKKVMOLBJVEB-UHFFFAOYSA-N	210.689	3.046	0	50	BGAA	in-vitro
CC(C)(C)c1ccc(Cl)cc1C(=O)O	148581295	BKFXRRXYTJGELY-UHFFFAOYSA-N	212.676	3.336	0	50	BGAA	
CC1(C)CC[C@@H](N2CC(c3ccncc3)C2)C1	1857708748	LSCFWSJHGQQDPC-CQSZACIVSA-N	230.355	3.060	0	50	BGAA	
Cc1cc(Br)c(N)c(C)c1Cl	1857784231	VTKJEIKMVFHTIB-UHFFFAOYSA-N	234.524	3.302	0	50	BGAA	
Cc1cccc(NC(=O)c2ccc(O)cc2)c1C	131804	TUSKGDZYAFUJKX-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
CC(C)c1ccc(-c2n[nH]cc2C=O)cc1	266349	UPGZHZKLNLXQBW-UHFFFAOYSA-N	214.268	3.013	0	50	BGAA	in-vitro
CC(C)(C)C1CCC(N2CCC[C@H](O)C2)CC1	757545	ZBTCHNNANVSKLS-RUXDESIVSA-N	239.403	3.048	0	50	BGAA	
O[C@@H](c1cccc(F)c1)c1cc(F)cc(F)c1	4290151	OUUBIKXMNXKTRP-ZDUSSCGKSA-N	238.208	3.186	0	50	BGAA	
CN(C(=O)Oc1ccc(F)cc1)c1ccccc1	4294182	AVXCRZCQILZACV-UHFFFAOYSA-N	245.253	3.461	0	50	BGAA	
Cc1cc(N)n([C@@H](C)c2ccccc2Cl)n1	4575276	LFNXMAPWHMZXQK-VIFPVBQESA-N	235.718	3.036	0	50	BGAA	
COc1ccc(Cl)cc1CNC(C)(C)C	4841973	OZNBATKKLNTLPX-UHFFFAOYSA-N	227.735	3.237	0	50	BGAA	
OCc1ncoc1-c1ccc(Cl)cc1Cl	16124251	XWBSXYDCPBBFEK-UHFFFAOYSA-N	244.077	3.141	0	50	BGAA	
COc1ccc(CN2CCCC2)c2ccccc12	23281854	UJBMIBUORLULSD-UHFFFAOYSA-N	241.334	3.444	0	50	BGAA	
CC(C)=CC[C@](C)(C(=O)O)c1ccccc1	45074569	YIFORZCYSLIOCC-AWEZNQCLSA-N	218.296	3.385	0	50	BGAA	
Cc1cc(-c2cccc(CC(=O)O)c2)ccc1F	74937848	RMAXSBLCFRGNIC-UHFFFAOYSA-N	244.265	3.428	0	50	BGAA	in-vitro
Cc1nccc2c(Br)cccc12	95616447	ZDZILNXMSMJASG-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
O=C(O)CCc1cc(-c2ccccc2)ccc1O	148832932	HYOZVLNXPSFCPV-UHFFFAOYSA-N	242.274	3.076	0	50	BGAA	in-vitro
O=C(OCc1ccccc1)N1[C@H]2CCC[C@H]1CC2	197360535	VCWRLJUEGMEYTE-KBPBESRZSA-N	245.322	3.340	0	50	BGAA	
C/C(=C\c1ccccc1)CN1CC(C(F)F)C1	656690347	KZRUFDFHNBMTMJ-YRNVUSSQSA-N	237.293	3.287	0	50	BGAA	
COC(=O)c1ccc2c(c1)C[C@@H](C(C)(C)C)CN2	950757308	RYYVOKVGVWUIEA-GFCCVEGCSA-N	247.338	3.104	0	50	BGAA	
CC[C@]12C[C@H]1CN(c1nccc3ccccc13)C2	1772811349	SZBVHFICTQEIRK-XJKSGUPXSA-N	238.334	3.471	0	50	BGAA	
O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1CC1	367794	PVXIYXNULUTGEQ-UHFFFAOYSA-N	246.093	3.048	0	50	BGAA	
COc1ccc(Nc2ccc(OC)cc2)cc1	392385	VCOONNWIINSFBA-UHFFFAOYSA-N	229.279	3.447	0	50	BGAA	in-vitro
Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1	1054178	LRFOYRQXNOMOMV-UHFFFAOYSA-N	241.290	3.329	0	50	BGAA	
CCCCN(CCCC)C(=S)S	1587358	SZRLKIKBPASKQH-UHFFFAOYSA-N	205.392	3.103	0	50	BGAA	in-vitro
CCOC(=O)c1ccc2[nH]c3ccccc3c2c1	2319505	NLLKBEGFXZYBFX-UHFFFAOYSA-N	239.274	3.498	0	50	BGAA	biogenic
CC(C)(C)C(=O)OC(=C(F)F)C(F)(F)F	2525509	KHVGJDBCCPHABS-UHFFFAOYSA-N	232.148	3.246	0	50	BGAA	in-vitro
CC(C)c1ccc(O[P@](C)(=O)O)cc1	2986738	JDHUMDRHIZVGJU-UHFFFAOYSA-N	214.201	3.004	0	50	BGAA	
O=C(N[C@H]1CCCc2ccccc21)C1CCCC1	3459996	DGCVBXTWMCFMKR-HNNXBMFYSA-N	243.350	3.370	0	50	BGAA	
Cc1cc(C)nc(NC(=O)c2cccc(F)c2)c1	11535885	STINSGZBMAOWLU-UHFFFAOYSA-N	244.269	3.090	0	50	BGAA	
COc1cc2cc[nH]c2cc1C(F)(F)F	34503706	KNMAZUXTEPXPOM-UHFFFAOYSA-N	215.174	3.195	0	50	BGAA	
FC(F)(F)c1c[nH]c2nccc(Cl)c12	35962732	PMQCMQSPOHRVBS-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	
COc1cc(-c2cccc(O)c2)ccc1F	65340009	HOYODJWNWJVBCN-UHFFFAOYSA-N	218.227	3.207	0	50	BGAA	in-vitro
Fc1cccc(-c2cc3c(Cl)nccn3n2)c1	70459097	QIHVBMJBOHCONK-UHFFFAOYSA-N	247.660	3.189	0	50	BGAA	
CC(C)C[C@]1(C)N=C(S)N(c2ccccc2)N1	197191	WVCFFDMZHCQTJD-CYBMUJFWSA-N	249.383	3.059	0	50	BGAA	
c1ccc2c(CN3CCSCC3)cccc2c1	292256	XXDYICWCXNQCSJ-UHFFFAOYSA-N	243.375	3.389	0	50	BGAA	
CN1c2ccccc2N(C)C1(C)c1ccccc1	305443	KRRQMNKTLOKWBN-UHFFFAOYSA-N	238.334	3.446	0	50	BGAA	
C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1	306101	DCQBZNRMJYVJON-SECBINFHSA-N	237.730	3.317	0	50	BGAA	
COc1nnc(-c2ccccc2)c2ccccc12	334616	YEQIEUQHZWAWBR-UHFFFAOYSA-N	236.274	3.305	0	50	BGAA	
COc1ccc(C(=O)N[C@H]2CCC[C@@H](C)C2)cc1	407191	SBIKDPPNTNUXHT-YPMHNXCESA-N	247.338	3.004	0	50	BGAA	
Clc1ccc(Cc2cccnc2)cc1	1679209	LEEKNDHWFITNTC-UHFFFAOYSA-N	203.672	3.326	0	50	BGAA	
FC(F)c1cc(-c2ccccc2)nc2ccnn12	2747778	MUIHYTNRAWPDBO-UHFFFAOYSA-N	245.232	3.334	0	50	BGAA	
Cc1ccc(NC(=O)OC(C)(C)C)cc1F	3612394	FKALRSFRYOILFQ-UHFFFAOYSA-N	225.263	3.481	0	50	BGAA	
O=Cc1sc(-c2ccccc2)nc1Cl	3844438	BEXKFRZZFNJNSZ-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	biogenic,in-vitro
Cc1cccc([C@H](O)c2cc(F)cc(F)c2)c1	4255201	WUWLUIFUVAJVMB-AWEZNQCLSA-N	234.245	3.355	0	50	BGAA	
C[C@H]1CC[C@@H](C)C[C@H]1CCCCS(=O)(=O)O	4797151	SMHOOPJVGBBTGZ-GRYCIOLGSA-N	248.388	3.117	0	50	BGAA	
C[C@@H](CCc1ccccc1)NCc1ccccn1	13718328	IZBCTAYCSYMCGH-AWEZNQCLSA-N	240.350	3.193	0	50	BGAA	
O=C1Nc2ccccc2[C@H]1Cc1ccsc1	15017164	AITFTDVVQJMREL-LLVKDONJSA-N	229.304	3.027	0	50	BGAA	
O=Cc1cccc(-c2ccc(Cl)cc2)n1	25757194	XCAKGLGKTYFLGJ-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	
CC(C)(C)NC(=O)CCc1ccccc1Cl	40460700	GAUJGNMFQDRCOG-UHFFFAOYSA-N	239.746	3.187	0	50	BGAA	
CC[C@@H](NC(=O)C(C)C)c1ccccc1C	72117607	FKMYRKFHKXEXKM-CYBMUJFWSA-N	219.328	3.218	0	50	BGAA	
Fc1ccc(N2CCCC2)c(Br)c1	85476841	WCKMJETXNAKABG-UHFFFAOYSA-N	244.107	3.188	0	50	BGAA	
CNC(=S)N1CCCc2cc(C(C)C)ccc21	170615986	BGURSYOYLJQGSO-UHFFFAOYSA-N	248.395	3.067	0	50	BGAA	
CC[C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1	248268497	PHTTVNJXCXUVFA-TZMCWYRMSA-N	231.339	3.396	0	50	BGAA	
CC(=O)c1cc(-c2ccc(Cl)cc2)no1	124344	UFMZTZBXSLVZBS-UHFFFAOYSA-N	221.643	3.198	0	50	BGAA	
Oc1ccccc1-c1nc(-c2ccccc2)no1	271638	VNCIJMRFIRKERM-UHFFFAOYSA-N	238.246	3.109	0	50	BGAA	
Nc1ccc(/C=C/c2ccc(N)cc2)cc1	404346	KOGDFDWINXIWHI-OWOJBTEDSA-N	210.280	3.021	0	50	BGAA	in-vitro
COc1cc(C)c(Br)c(C)c1	1670356	RAWZVIWEDAGMPW-UHFFFAOYSA-N	215.090	3.075	0	50	BGAA	biogenic,in-vitro
CCCCCC(=O)OCc1ccccc1	1684890	HRSXWUSONDBHSP-UHFFFAOYSA-N	206.285	3.310	0	50	BGAA	endogenous,in-man
CC[C@@H](C)NC(=O)CCSc1ccccc1	3086689	MTVBKKXCMOCLNK-LLVKDONJSA-N	237.368	3.084	0	50	BGAA	
c1ccc(N2CC[N+](c3ccccc3)=N2)cc1	4823039	KOINZDXHUMPWTA-UHFFFAOYSA-N	224.287	3.218	0	50	BGAA	
CC[C@H](C)c1ccccc1NC(=O)CCC(=O)O	6698696	MTNBRQWBDIOLAR-JTQLQIEISA-N	249.310	3.003	0	50	BGAA	
C[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1	19902767	GLRMEEBQIWKFEQ-VIFPVBQESA-N	244.260	3.337	0	50	BGAA	
O=C(O)c1cc(F)c(Cl)c(Cl)c1Cl	34236939	XADYKNXAUYNLFG-UHFFFAOYSA-N	243.448	3.484	0	50	BGAA	in-vitro
CCOc1cc(C(C)(C)C)ccc1C(=O)OC	44138445	MSBDQSVHWOJXCZ-UHFFFAOYSA-N	236.311	3.169	0	50	BGAA	
COc1cc2[nH]c3ccccc3c2cc1OC	71773911	KGAXVHSIPNZBJB-UHFFFAOYSA-N	227.263	3.338	0	50	BGAA	
OCc1c(OC(F)F)ccc(Cl)c1Cl	263625093	WRNITFOACRQULH-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
COc1cccc(OC)c1-c1nccn1C(C)C	426413065	XJFHPHZCQUXAMS-UHFFFAOYSA-N	246.310	3.148	0	50	BGAA	
CC(C)CS[C@H]1CC(=O)CC[C@H]1C	725360375	HKPFLYADEIYTEP-KOLCDFICSA-N	200.347	3.133	0	50	BGAA	
Cc1cncc(-c2cnc3cccc(F)c3c2)n1	1875250593	OWGOXIWZFYBTQL-UHFFFAOYSA-N	239.253	3.139	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccc(C)cc1	372707	FOYZYLNQFMWUDT-LLVKDONJSA-N	205.301	3.370	0	50	BGAA	
Cc1ccc(O)c(NC(=O)C2CCCCC2)c1	383578	LCLUUGCROVAZTI-UHFFFAOYSA-N	233.311	3.219	0	50	BGAA	
CC(=O)OC(c1ccccc1)c1ccccc1	394956	QBKMWJRMLACRJD-UHFFFAOYSA-N	226.275	3.339	0	50	BGAA	
Cc1ccc(O)c(NC(=O)c2cccs2)c1	781726	WYNHOIDRIJEVRZ-UHFFFAOYSA-N	233.292	3.014	0	50	BGAA	
Cc1cccc(C(=O)N(C(C)C)C(C)C)c1	1227546	WPFBQNDWEOVSGC-UHFFFAOYSA-N	219.328	3.254	0	50	BGAA	
Cc1cccn2c(C=O)c(-c3ccccc3)nc12	1527448	UHSALGGPQFYDCQ-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	
CCCCN(CC)C(=O)c1cccs1	2743567	WMDRQQOPXUPAGH-UHFFFAOYSA-N	211.330	3.010	0	50	BGAA	
O=C(Nc1ccccc1F)N1CCCCCC1	2889967	SPERKTIEXOBQMP-UHFFFAOYSA-N	236.290	3.234	0	50	BGAA	
COc1ccc(CN2CCCC[C@@H]2C)cc1OC	4988661	RWFCBLHNPRDWAQ-LBPRGKRZSA-N	249.354	3.078	0	50	BGAA	
O=Cc1ccc(Br)c2ccccc12	8381942	SESASPRCAIMYLA-UHFFFAOYSA-N	235.080	3.415	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1cccc(SC)c1	13320056	UACBTFADEFYGGC-VIFPVBQESA-N	238.356	3.329	0	50	BGAA	
CCC1=N[C@@H](c2ccccc2)N(O)C1(C)C	19607560	OTIRBBMRSURCPC-GFCCVEGCSA-N	218.300	3.020	0	50	BGAA	
Fc1ccc2c(Br)cncc2c1	220484730	DXANYJSMNHLBAV-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
C[C@@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccccc1	245420094	BWSJVURPHFFHSN-RZFFKMDDSA-N	243.350	3.300	0	50	BGAA	
COc1cccc(CS[C@@H]2CCCOC2)c1	267548795	BVCJPFHXODUYHM-CYBMUJFWSA-N	238.352	3.107	0	50	BGAA	
CC(C)O[C@@H]1CC(=O)CCC12CCCC2	725360499	IKWVPXWZPNRSLR-GFCCVEGCSA-N	210.317	3.093	0	50	BGAA	
CC1=C(Cl)c2ccc(Cl)cc2S1(=O)=O	39196	CTPRGOXKDZZTJE-UHFFFAOYSA-N	249.118	3.055	0	50	BGAA	
NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	110239	HEBVBIGUNHPPLF-AWEZNQCLSA-N	236.318	3.259	0	50	BGAA	
O=C(O)c1c(F)c(Cl)c(F)c(Cl)c1F	2243607	WOGODDMTAFMNSE-UHFFFAOYSA-N	244.983	3.109	0	50	BGAA	in-vitro
CC(=O)c1ccc(-c2ccccc2N)s1	3888762	ODDBCJISDUPJRO-UHFFFAOYSA-N	217.293	3.200	0	50	BGAA	
O[C@@H](/C=C/c1ccccc1)c1ccccc1	4071836	ORACYDGVNJGDMI-RUMSDORHSA-N	210.276	3.433	0	50	BGAA	in-vitro
CCCc1nnc(S)n1-c1cccc(C)c1C	6391541	HYFAGPFLHFVIFG-UHFFFAOYSA-N	247.367	3.125	0	50	BGAA	
O=C1CCCc2onc(Nc3ccc(F)cc3)c21	9287706	YTUYAMQEMXLLCB-UHFFFAOYSA-N	246.241	3.076	0	50	BGAA	
Fc1ccc2cc[nH]c2c1Br	16159465	REKZBQHRHZATLM-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	
Nc1cc([C@@H](O)c2ccccc2)ccc1Cl	16626858	RHCJPQNHYRBDOF-ZDUSSCGKSA-N	233.698	3.004	0	50	BGAA	
CC(=O)Nc1cccc(-c2ccc(O)cc2)c1	38339603	XQOBDZNWQCBRSU-UHFFFAOYSA-N	227.263	3.018	0	50	BGAA	in-vitro
Cc1ccc(Cl)cc1-c1nc(C2CC2)n[nH]1	65397279	LXASTJKIMFRGBC-UHFFFAOYSA-N	233.702	3.311	0	50	BGAA	
CC(C)c1nccn1CCOc1ccccc1	70423017	QSIFKXHJHNMZRK-UHFFFAOYSA-N	230.311	3.086	0	50	BGAA	
Cc1nccn1-c1ccnc2cc(Cl)ccc12	71774326	YFPBKVAIRFAZKR-UHFFFAOYSA-N	243.697	3.382	0	50	BGAA	
CCC[C@H](C)NC(=O)[C@H](C)c1ccccc1	680017870	WQKGIHYNYLYJNN-NWDGAFQWSA-N	219.328	3.095	0	50	BGAA	
O=C(NC1CCCCC1)[C@H]1C[C@@H]1c1ccccc1	276326	VSJGIFGDUPGZCZ-CABCVRRESA-N	243.350	3.239	0	50	BGAA	
Cc1cc(C)cc(NCc2ccncc2)c1	293161	JQBCBNLHLZSPHS-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2C)c1	382352	IWDUSYOWKCLIHJ-TZMCWYRMSA-N	231.339	3.304	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)C1CCC1	383575	NKTPEKDVZVAYNU-UHFFFAOYSA-N	209.676	3.079	0	50	BGAA	in-vitro
OC[C@@H]1Cc2ccc(cc2)CCc2ccc1cc2	3124715	SDGZYFHXEBQLNV-KRWDZBQOSA-N	238.330	3.104	0	50	BGAA	
CCc1ccc(-c2nc(C(=O)O)cs2)cc1	4206926	OKIXVEUDAQRHLQ-UHFFFAOYSA-N	233.292	3.071	0	50	BGAA	
CCCCc1ccc(-n2cc(C=O)cn2)cc1	14608613	YWQVXGIBKUUUGG-UHFFFAOYSA-N	228.295	3.027	0	50	BGAA	in-vitro
Cc1cc(Br)c2cccc(F)c2n1	32099866	XETQAKPBSIDNFG-UHFFFAOYSA-N	240.075	3.445	0	50	BGAA	
C[C@@H](Oc1ccccc1)[C@H](O)c1ccccc1	34557583	OQOWAWAHPZPZOH-DOMZBBRYSA-N	228.291	3.188	0	50	BGAA	
CN(C)N1C[C@H](c2ccccc2)c2ccccc21	44124682	KBWAEWLSJLSQJJ-OAHLLOKOSA-N	238.334	3.115	0	50	BGAA	
CNc1ccccc1CCC(=O)OC(C)(C)C	49587141	DLUZHBCCUGBWQT-UHFFFAOYSA-N	235.327	3.003	0	50	BGAA	
c1ccc(CCCCc2nc(C3CC3)n[nH]2)cc1	65430205	JTNBDJMEUBYQMJ-UHFFFAOYSA-N	241.338	3.248	0	50	BGAA	
C[C@H](NC(=O)c1cccs1)c1ccccc1	29364	LEDNWIDPUBDPLC-JTQLQIEISA-N	231.320	3.239	0	50	BGAA	
O=C(c1ccccc1)n1ccc2ccccc21	88353	DIQDUFVJZPNLJQ-UHFFFAOYSA-N	221.259	3.330	0	50	BGAA	biogenic,in-vitro
Cc1ccc(C(=O)c2ccc(O)cc2)cc1C	284513	BGZODRAEVZEVJD-UHFFFAOYSA-N	226.275	3.240	0	50	BGAA	
CO[C@H]1CCCC[C@@H]1NC1CCCCCC1	292983	JZDQZLOTEYWYNS-KBPBESRZSA-N	225.376	3.256	0	50	BGAA	
CCN(CC)C(=O)Nc1ccccc1Cl	396320	HOYVHYMAJSVJOJ-UHFFFAOYSA-N	226.707	3.214	0	50	BGAA	
Cc1ccccc1C(=O)N[C@H]1CCC[C@H](C)C1	406460	VRNVLOAFVPQDRX-AAEUAGOBSA-N	231.339	3.304	0	50	BGAA	
C[C@@H]1CCCCN1Cc1c(F)cccc1F	4996370	AENNLLXESXJEHJ-SNVBAGLBSA-N	225.282	3.339	0	50	BGAA	
CC(=O)O[C@@H]1Cc2cccc3cccc1c23	5225419	UYSIEGCCYVPJLE-CYBMUJFWSA-N	212.248	3.000	0	50	BGAA	
CC(C)c1cc(Br)ccc1O	11949644	IRIAFTMIYRJHNZ-UHFFFAOYSA-N	215.090	3.278	0	50	BGAA	in-vitro
Cc1cc(C(=O)O)ccc1-c1cccc(F)c1	47207117	IBGAPBDUMYRGEB-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
O=Cc1ccc(-c2ccc(C(=O)O)c(F)c2)cc1	65349748	CRKGWMVUUGIOPM-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
O=C1CCCc2nc(Nc3ccccc3)sc21	71773903	OGVFVNIQFZNODA-UHFFFAOYSA-N	244.319	3.406	0	50	BGAA	
O=C1Cc2cc(C3CCCCC3)ccc2N1	145480932	GAMOWVPYWCFRMK-UHFFFAOYSA-N	215.296	3.229	0	50	BGAA	in-vitro
CC[C@H]1CCc2ccccc2N1C(=O)C1CC1	177654966	UDSBUGBMMYLOFD-ZDUSSCGKSA-N	229.323	3.154	0	50	BGAA	
CC(C)n1ccnc1-c1ccccc1F	201694196	ZECFHQZOASLMPR-UHFFFAOYSA-N	204.248	3.270	0	50	BGAA	
CC(C)(C)OC(=O)N1C[C@H]2CCCC[C@H]2C1	208219280	FMJILALKTYWOFJ-PHIMTYICSA-N	225.332	3.044	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1CCC[C@H]2C[C@@H]21	585082924	SOBRSJBXBSGSNQ-STQMWFEESA-N	244.338	3.320	0	50	BGAA	
CCc1occ(-c2cccc(F)c2)c1C(=O)O	725246735	UZTMEOXDMJLODO-UHFFFAOYSA-N	234.226	3.346	0	50	BGAA	
O=Cc1ccc(F)c(-c2cccc(C(=O)O)c2)c1	725270678	PUKDGWHHLPMIAF-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
CC(C)c1ccc(OC(C)(C)C(=O)O)cc1	1459820	KPJWETIJBZKRPC-UHFFFAOYSA-N	222.284	3.052	0	50	BGAA	in-vitro
O=c1ssc(Cl)c1-c1ccccc1	1655991	BWTGFYQZOUAOQW-UHFFFAOYSA-N	228.725	3.490	0	50	BGAA	in-vivo
CCOC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	2732104	MBJPATUIODMIKJ-WDEREUQCSA-N	224.687	3.007	0	50	BGAA	
COc1cc(C)c(CCC(C)=O)c(C)c1C	3160878	QLRCMNNRVMXTDH-UHFFFAOYSA-N	220.312	3.142	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1ccc(C)cc1C	42141283	BPYQYEJBSIATQG-GFCCVEGCSA-N	219.328	3.222	0	50	BGAA	
COc1cc(C(=O)O)cc(-c2cccc(C)c2)c1	65349474	FWWFXIQGSRMYAS-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
CCCc1nnc(N[C@@H](C)c2ccc(F)cc2)o1	95373977	AWJRDFSKFUNUGS-VIFPVBQESA-N	249.289	3.334	0	50	BGAA	
CC(C)(C)c1nnc(NCc2ccoc2)s1	178771342	HGXPDGCUIXOFCY-UHFFFAOYSA-N	237.328	3.041	0	50	BGAA	
CCCn1nccc1-c1cn(C(C)C)nc1C	426445665	RUAKFMOVWHJTGB-UHFFFAOYSA-N	232.331	3.046	0	50	BGAA	
Cc1ccc(-c2cc3nccnc3cc2C)cn1	1875315870	KNCKNOCUKJUDIN-UHFFFAOYSA-N	235.290	3.309	0	50	BGAA	
Cc1ccc(Nc2nc(C)cc(C)n2)cc1	392130	FAJSSRLBXOAVQP-UHFFFAOYSA-N	213.284	3.145	0	50	BGAA	
c1csc(-c2cn3ccsc3n2)c1	406855	YKINBJCTANWRJC-UHFFFAOYSA-N	206.295	3.124	0	50	BGAA	in-vivo
Cc1ccc(C(O)(C2CC2)C2CC2)cc1	2170011	ZLDYBMZGEIJXHG-UHFFFAOYSA-N	202.297	3.003	0	50	BGAA	
C/C(=C\c1ccccc1)C(=O)Nc1nccs1	4680132	NMSJVSMDGGLYBX-MDZDMXLPSA-N	244.319	3.185	0	50	BGAA	
COc1ccc(CN[C@H]2CCCC[C@H]2C)cc1	4891830	DZPPROGWUHIKBN-DOMZBBRYSA-N	233.355	3.364	0	50	BGAA	
CSc1ccccc1C(=O)N1CCCCC1	5027827	RFYGVCDIGPIWHG-UHFFFAOYSA-N	235.352	3.035	0	50	BGAA	
CC(C)c1ccc(CNCc2cccnc2)cc1	5822565	QYKOHSFAFQBWDF-UHFFFAOYSA-N	240.350	3.495	0	50	BGAA	
O[C@H]1Cc2ccccc2Nc2ccccc21	32238195	NPKCAMZGRRHFTJ-AWEZNQCLSA-N	211.264	3.020	0	50	BGAA	in-vitro
CC(C)Oc1ccc(C(=O)O)cc1C(F)(F)F	71399153	FMRZLMJTOCTKPU-UHFFFAOYSA-N	248.200	3.191	0	50	BGAA	
CC(C)c1noc([C@@H](C)n2ccnc2C(C)C)n1	95382556	NPZQPUMDDKKYQZ-SNVBAGLBSA-N	248.330	3.122	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2ccncc2N)cc1	96153377	CRTRZJAPLQHNNO-JTQLQIEISA-N	228.295	3.038	0	50	BGAA	
C[C@]12C[C@@H]3C[C@](C)(C1)C[C@@](C(=O)O)(C3)C2	100058520	BSWOQWGHXZTDOO-YYTOVBPXSA-N	208.301	3.068	0	50	BGAA	
Fc1cccc(C2CC2)c1Br	114117792	KPJCGVKPBLXUEE-UHFFFAOYSA-N	215.065	3.466	0	50	BGAA	
Cc1cc(/C=C/C(=O)O)c(Cl)cc1Cl	263623826	LBNQUPRBTHWWNJ-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
CC1(C)C[C@@H]1CNC(=O)c1sccc1Cl	336507554	WKHZNADZFGEMRZ-SSDOTTSWSA-N	243.759	3.177	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccc(F)c(F)c1	30715	QCMDPLIVXDYYFE-MRVPVSSYSA-N	227.254	3.340	0	50	BGAA	
Cc1c(C)c(C)c2c(C[C@@H](C)N)c[nH]c2c1C	403697	XGOZEJVHAMVJOA-MRVPVSSYSA-N	230.355	3.291	0	50	BGAA	
Cc1ccc(C)c(OCCN2CCCCC2)c1	431804	AQZRIZDFRNDEKK-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
c1cc(-c2nc(C3CCCCC3)no2)ccn1	4672192	LHXLQJIWIKPBKC-UHFFFAOYSA-N	229.283	3.179	0	50	BGAA	
CC(C)(C)C(=O)COc1ccc(Cl)cc1	5351005	WISVKXCNQOLCJL-UHFFFAOYSA-N	226.703	3.334	0	50	BGAA	
CC(C)n1nccc1NC(=O)Nc1ccccc1	8231180	IUPDIFIBOIPXEL-UHFFFAOYSA-N	244.298	3.108	0	50	BGAA	
C[C@H]1C=CC[C@@]23CCc4ccccc4[C@@]12C(=O)C3	43762083	YCYIYMHBQASZBV-AFAVFJNCSA-N	238.330	3.426	0	50	BGAA	
Cc1nc(C)c(-c2ccc3c(c2)OCO3)s1	57521917	CJPCKAPCABSTOB-UHFFFAOYSA-N	233.292	3.156	0	50	BGAA	
O=C(O)c1c(F)cccc1OCc1ccccc1	89065435	BLFXGZJNWASDMK-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	
CN1CCC[C@H](c2ccccc2)C1(C)C	96026901	KNJWHDNGLSGYHI-CYBMUJFWSA-N	203.329	3.274	0	50	BGAA	
FC(F)(F)c1nccc(Cl)c1Cl	141793358	SILIQWHOFNBEJW-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	
Cc1cccnc1Nc1ccc[nH]c1=S	196470969	ACYJBISTTHXMLL-UHFFFAOYSA-N	217.297	3.191	0	50	BGAA	
Cc1ccccc1NC(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	246721489	TUVRGNJAIDJRMT-XSXPHNMFSA-N	241.334	3.226	0	50	BGAA	
COc1ccncc1COc1c(C)cccc1C	336788901	HUDJLWJXSKJPML-UHFFFAOYSA-N	243.306	3.286	0	50	BGAA	
COC1CCC(CCNCc2ccccc2)CC1	350184489	GMACSPFGYLSHAZ-UHFFFAOYSA-N	247.382	3.372	0	50	BGAA	
OCc1ccc(-c2ccnc(C(F)F)c2)cc1	725273572	LVRDUFRCYVDFEJ-UHFFFAOYSA-N	235.233	3.179	0	50	BGAA	
Cc1nc2cc(-c3ccncc3N)ccc2s1	1243937609	UPGJCWGEUNDEPD-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
O=C(NCCc1ccccc1)Nc1ccccc1	47247	IAJCQLOENFFYTI-UHFFFAOYSA-N	240.306	3.051	0	50	BGAA	
CCSc1nnc2sc3ccccc3n12	114764	DCNUHPWWDJNENH-UHFFFAOYSA-N	235.337	3.056	0	50	BGAA	
CCc1cccc(CC)c1NC(=O)C(F)(F)F	145126	PQGDGZDWJXIPDR-UHFFFAOYSA-N	245.244	3.312	0	50	BGAA	
COc1ccc(CNc2ccccc2)c(OC)c1	263324	BILOOOYZVHSFRI-UHFFFAOYSA-N	243.306	3.316	0	50	BGAA	
Cc1ccn2c(C=O)c(-c3ccccc3)nc2c1	1527449	KWLLHQOGNBYLDD-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	in-vitro
Oc1cc2ccccc2cc1Br	1998878	PQVIOPAWVAOHOA-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
Cc1ccc([S@](=O)Cc2ccccc2)cc1	5363593	HRDMFVNVGVXJQA-INIZCTEOSA-N	230.332	3.303	0	50	BGAA	
C[C@@](O)(c1ccccc1)c1cc(Cl)ccc1N	6032014	SIGGISMALGOPAO-CQSZACIVSA-N	247.725	3.178	0	50	BGAA	in-vitro
CCc1sc(C)nc1-c1ccc(C(=O)O)cc1	6703842	UYTYAJUOCGXJQA-UHFFFAOYSA-N	247.319	3.379	0	50	BGAA	
C[C@H](Oc1ccccc1)[C@H](O)c1ccccc1	34557581	OQOWAWAHPZPZOH-WFASDCNBSA-N	228.291	3.188	0	50	BGAA	
CN(C(=O)[C@]1(C)C=CCC1)c1ccccc1	43214812	WCYSHVUPGGBEOZ-CQSZACIVSA-N	215.296	3.006	0	50	BGAA	
Clc1ccc2nc(-c3cc[nH]n3)ccc2c1	67692457	PJYLDHGOBZQBAC-UHFFFAOYSA-N	229.670	3.278	0	50	BGAA	
COc1ccc(-c2c(C)n[nH]c2C)c(C)c1	67981768	JGFQFPDLUZKFFE-UHFFFAOYSA-N	216.284	3.011	0	50	BGAA	
O=C(O)c1cc2ccc(C(F)(F)F)nc2s1	217853602	FSEUOIPZADGYNN-UHFFFAOYSA-N	247.197	3.013	0	50	BGAA	
CCN(C)C(=O)Nc1ccc2c(c1)CC(C)(C)C2	2325798639	KXIRVBBZHVAZHT-UHFFFAOYSA-N	246.354	3.295	0	50	BGAA	
O=C(c1ccccc1)c1cc(Cl)ccc1O	136128	OMWSZDODENFLSV-UHFFFAOYSA-N	232.666	3.277	0	50	BGAA	in-vitro
Nc1nccc(-c2ccc(-c3ccccc3)cc2)n1	167737	OSVOLQJCSTWERU-UHFFFAOYSA-N	247.301	3.393	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)Cc2cccs2)c1	361846	SLSWSHIKFSCHTK-UHFFFAOYSA-N	231.320	3.238	0	50	BGAA	
COc1ccc2oc(-c3cccc(N)c3)nc2c1	558601	CKRRSSNJRCROCE-UHFFFAOYSA-N	240.262	3.086	0	50	BGAA	
CCCCNCCCOc1cccc(C)c1C	2900424	YTFUYHWXIXJPKM-UHFFFAOYSA-N	235.371	3.462	0	50	BGAA	
Cc1ccc([S@@](=O)Cc2ccccc2)cc1	5363585	HRDMFVNVGVXJQA-MRXNPFEDSA-N	230.332	3.303	0	50	BGAA	
CC(C)(C)OC(=O)c1ccc(F)cc1Cl	16159553	XSXTUTSLQCTYJB-UHFFFAOYSA-N	230.666	3.434	0	50	BGAA	in-vitro
CC(C)Sc1ccc(Br)cn1	39647306	CAPUIXOUSBYPPX-UHFFFAOYSA-N	232.146	3.345	0	50	BGAA	
COc1cc(C(=O)O)cc(-c2ccccc2)c1	47211920	RJNXRRZKLNCRKQ-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1cc(F)cc(F)c1	59039167	BQSNOLRXRLZOMR-UHFFFAOYSA-N	229.226	3.312	0	50	BGAA	in-vitro
COc1cccc(-c2cccc(C)n2)c1F	65395236	PDBYQZGHPJNKLG-UHFFFAOYSA-N	217.243	3.205	0	50	BGAA	
Fc1c(Br)ccc2ccncc12	585139526	OKLBOBJCIDTQCO-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
CC1(C)CCC=C(c2ccc(C=O)nc2)C1	725246009	OOCRGBHROWPWMC-UHFFFAOYSA-N	215.296	3.488	0	50	BGAA	
CC(C)NC(=O)c1ccc(-c2ccccc2)cc1	30036	PVDCAVHLXXWZGG-UHFFFAOYSA-N	239.318	3.492	0	50	BGAA	
Cc1cccc(NC(=O)c2ccc(C)o2)c1	62484	GUGBPEWYOQZBBS-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
Cc1nc(C)c(C(=O)Nc2ccccc2C)s1	68914	BHHZFQHSZSXMEM-UHFFFAOYSA-N	246.335	3.321	0	50	BGAA	
Cc1nc2cc(-c3ccccc3)nn2c(C)c1C	128626	MLHDDRWDAJYNEW-UHFFFAOYSA-N	237.306	3.322	0	50	BGAA	
C[C@@H]1CC(C)(C)O[C@H](c2ccccc2)O1	281238	OHAGICGDFQGNHT-ZYHUDNBSSA-N	206.285	3.289	0	50	BGAA	
O=C(Cc1cccs1)NCCC1=CCCCC1	312266	PMJJYCAAQSMFQR-UHFFFAOYSA-N	249.379	3.297	0	50	BGAA	
Cc1ccc(OCC(=O)Nc2ccccc2)cc1	363015	XLBXFZZAIFZWGM-UHFFFAOYSA-N	241.290	3.013	0	50	BGAA	
Cc1ccccc1OCC(=O)N(C(C)C)C(C)C	468462	UOUKCZIGIVUTJZ-UHFFFAOYSA-N	249.354	3.019	0	50	BGAA	
CC(C)CN(CC(C)C)C(=O)Cc1ccccc1	474476	JPRXLMCQXQWISP-UHFFFAOYSA-N	247.382	3.370	0	50	BGAA	
O=C(c1ccc(Cl)c(F)c1)C(F)(F)F	2378578	RTSKOTZMSATBTN-UHFFFAOYSA-N	226.556	3.224	0	50	BGAA	
CC(=O)O[C@H]1Cc2cccc3cccc1c23	2555812	UYSIEGCCYVPJLE-ZDUSSCGKSA-N	212.248	3.000	0	50	BGAA	
CCCSc1ccc2[nH]c(NC(C)=O)nc2c1	4336724	WGVYAKQGUNSPTA-UHFFFAOYSA-N	249.339	3.023	0	50	BGAA	
CC(C)(C)C(=O)Nc1nc2c(s1)CCCC2	4746880	DBOKMYCVQLYXNT-UHFFFAOYSA-N	238.356	3.007	0	50	BGAA	
Cc1cn(Cc2ccc(C(C)C)cc2)nc1O	5423129	BJOBBBJIACLBLE-UHFFFAOYSA-N	230.311	3.069	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc2c(c1)CCN2	33465137	PCEAUMPCFBPXKL-UHFFFAOYSA-N	234.299	3.002	0	50	BGAA	
CC(C)=CCNc1ccc(-n2ccnc2)cc1	170607106	PSIIORZAYOJMHL-UHFFFAOYSA-N	227.311	3.250	0	50	BGAA	
Cc1ccc(C(=O)NCC2CCC2)c2c1CCC2	448685840	CJWKLTOERSZBDV-UHFFFAOYSA-N	243.350	3.014	0	50	BGAA	
CC[C@@H]1CCN(CCc2ccc(F)c(F)c2)C1	489865063	WSMGZGBAVXDDGV-LLVKDONJSA-N	239.309	3.239	0	50	BGAA	
Cc1c(C(C)(C)O)cccc1C(F)(F)F	1857783804	PRUCQAZELUUBML-UHFFFAOYSA-N	218.218	3.241	0	50	BGAA	
COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2	106331	RGTTZMPTUIAPIG-VIFPVBQESA-N	205.301	3.393	0	50	BGAA	
COc1ccccc1-c1cccc(C=O)c1	2574087	OIJZSURASXVTDU-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
O=C(NCc1ccc(Cl)cc1Cl)C1CC1	3603102	OSAHQEFPTHFOJC-UHFFFAOYSA-N	244.121	3.020	0	50	BGAA	
CC[n+]1ccc(/C=C\c2ccc(C)cc2)cc1	4582356	STPFFXHPRIQRSI-HJWRWDBZSA-N	224.327	3.473	0	50	BGAA	
FC(F)(F)COc1ccc(Cl)cc1	8698367	WMVDOKLDWNIZFP-UHFFFAOYSA-N	210.582	3.281	0	50	BGAA	
Cc1ccc(-c2nc(C(=O)O)c(C)s2)cc1	11766527	WISJNUKCVQXVAS-UHFFFAOYSA-N	233.292	3.125	0	50	BGAA	
FC(F)(F)Oc1ccc2ncsc2c1	44713346	DHITZHCZUWQDBD-UHFFFAOYSA-N	219.187	3.195	0	50	BGAA	
Clc1ccc(Cc2ccccc2)cn1	72190662	SFSNZWOWXYUDIO-UHFFFAOYSA-N	203.672	3.326	0	50	BGAA	
O=C1Nc2ccc(Cl)cc2[C@@H]1Cc1ccco1	96822480	DSUISYPRZLYUMW-NSHDSACASA-N	247.681	3.211	0	50	BGAA	
CC(C)(C)OC(=O)N1CCC(=C2CC2)CC1	575606888	VBFFCWMVMIDXME-UHFFFAOYSA-N	223.316	3.108	0	50	BGAA	
c1cnc2ccnc(NC3CC4(CCC4)C3)c2c1	1161444023	ZVWMPCBKPLVSFA-UHFFFAOYSA-N	239.322	3.374	0	50	BGAA	
CCOC(=O)c1sc(-c2ccccc2)nc1C	120761	FYPLITQTMHJFKK-UHFFFAOYSA-N	247.319	3.295	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Nc2ccccc2)nc1	322980	NNUPSMWXIVHKGA-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
O=c1sc2ccccc2n1Cc1ccccc1	400017	RPMOZTXHJDAKOV-UHFFFAOYSA-N	241.315	3.111	0	50	BGAA	
CC(C)NCc1c(Cl)cccc1Cl	10435858	XRJNKHAQOXASHD-UHFFFAOYSA-N	218.127	3.491	0	50	BGAA	
Brc1cnc2sccc2c1	39330677	YMOORGYWRBQPDZ-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
COC(=O)C(C)(C)c1ccc(Cl)c(Cl)c1	59846866	FMORPVVUJNPQHD-UHFFFAOYSA-N	247.121	3.444	0	50	BGAA	
NCCCC[C@@H](c1ccccc1)c1ccncc1	96027475	NHFGIESVWWQDJA-INIZCTEOSA-N	240.350	3.343	0	50	BGAA	
O=Cc1cc(Cl)c(F)c(Br)c1	257974440	ITHVGILTPULMTL-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
COC(=O)Cc1cc(Cl)c(C)cc1Cl	263623041	DDFKUCNCDIHIKJ-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
CCC[C@H](C(=O)c1ccc(C)cc1)N1CCCC1	681	SWUVZKWCOBGPTH-OAHLLOKOSA-N	245.366	3.442	0	50	BGAA	in-man
CC1(C)CC(NC2CCCCC2)CC(C)(C)N1	140582	CKSSXRUOCIWOFF-UHFFFAOYSA-N	238.419	3.218	0	50	BGAA	
CC(C)c1cc(C(=O)O)c(O)c(C(C)C)c1	388225	XUFUYOGWFZSHGE-UHFFFAOYSA-N	222.284	3.337	0	50	BGAA	in-vitro
CCN(CCc1ccccn1)c1ccccc1	397112	MJZYWLIRZMPWFA-UHFFFAOYSA-N	226.323	3.151	0	50	BGAA	
CC(C)(C)OC(=O)C(C)(C)C(C)(C)C	401999	MOWGXVTXPUMHPW-UHFFFAOYSA-N	200.322	3.400	0	50	BGAA	
CC[C@@H](C)c1ccc2[nH]c(C)c(CCN)c2c1	1235030	VLOQYQXITQGPDY-SNVBAGLBSA-N	230.355	3.491	0	50	BGAA	
NC[C@H](c1ccccc1)c1ccc(Cl)cc1	2576552	PNKKPFLBOWGVSF-CQSZACIVSA-N	231.726	3.431	0	50	BGAA	in-vivo
CCCCN(CC)C(=O)[C@@H](C)Oc1ccccc1	2743598	BPNXTEXRSNIOIG-CYBMUJFWSA-N	249.354	3.103	0	50	BGAA	
O=C(c1ccccc1)N1CCC[C@H]2CCC[C@@H]21	3160032	YJJWSCUKMWSVTL-OCCSQVGLSA-N	229.323	3.091	0	50	BGAA	
O=C1CCCN1CCC12CC3CC(CC(C3)C1)C2	4342834	JYJXTPGONVMPHK-UHFFFAOYSA-N	247.382	3.215	0	50	BGAA	
CCOc1cc(C=O)ccc1O[C@H](C)CC	4825330	YCPXBOGXXIEFIE-SNVBAGLBSA-N	222.284	3.075	0	50	BGAA	in-vitro
Nc1ccc(N2CCCCC2)c(C(F)(F)F)c1	4945529	RLYTXYOWWUWWND-UHFFFAOYSA-N	244.260	3.278	0	50	BGAA	
O=C1CCCCc2cc(Br)ccc21	38418144	XXOUVYNCUSZBHH-UHFFFAOYSA-N	239.112	3.358	0	50	BGAA	
CCOC(=O)[C@H](C)Sc1ccccc1Cl	42287984	IJBCCBCQHSHFST-QMMMGPOBSA-N	244.743	3.384	0	50	BGAA	
O=Cc1coc2cccc(Br)c12	82361030	WHNUBAJRWOLOEE-UHFFFAOYSA-N	225.041	3.008	0	50	BGAA	
Brc1cnoc1-c1ccccc1	86012901	OPNQYKVNIGKUAF-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
C=CC(=O)Nc1nc(-c2ccccc2C)cs1	408515280	QAHGZVBCLREMCT-UHFFFAOYSA-N	244.319	3.243	0	50	BGAA	
c1sc(-c2n[nH]c(C3CC3)n2)c2c1CCCC2	584891383	IKNKHQSOPWLBLL-UHFFFAOYSA-N	245.351	3.289	0	50	BGAA	
O=Cc1cccc(-c2cccc(O)c2)c1F	725269502	MNNHCCBHPFLJNX-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
CC1(C)CCC(=O)C[C@@H]1OC1CCCC1	725362238	QXGGXTGBXXQQEM-LBPRGKRZSA-N	210.317	3.093	0	50	BGAA	
Cc1cc2cc(C(=O)N[C@@H]3C=CCC3)ccc2o1	1857682298	IJONNNOOBKMDHY-CYBMUJFWSA-N	241.290	3.190	0	50	BGAA	
CC[C@H](C(=O)Nc1nccs1)c1ccccc1	30513	HFMXVXVFGOZHQL-NSHDSACASA-N	246.335	3.275	0	50	BGAA	
Cc1ccc(C)c(-c2nc(N)sc2C)c1	373431	DYUTXEVRMPFGTH-UHFFFAOYSA-N	218.325	3.318	0	50	BGAA	in-vitro
CCOC(OCC)c1ccc(Cl)cc1	2024561	GPLBEXMSGZWIPD-UHFFFAOYSA-N	214.692	3.412	0	50	BGAA	in-vitro
COc1ccccc1CNCc1cccs1	2651913	BNUOVFLGFYELTB-UHFFFAOYSA-N	233.336	3.047	0	50	BGAA	
C[C@H]1CCC[C@@H](C)N1C(=O)NC1CCCCC1	16551820	VODAXQMWKPJJBR-TXEJJXNPSA-N	238.375	3.292	0	50	BGAA	
CCSc1ccc(-c2ccnc(CO)c2)cc1	32573455	SVHVGFIDYOEYTF-UHFFFAOYSA-N	245.347	3.353	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(Cl)cc2)cc1O	65350341	WDOOIZJTFGDHFT-UHFFFAOYSA-N	248.665	3.411	0	50	BGAA	in-vitro
Clc1ncnc2c(-c3ccccc3)nsc12	253495140	ZYOZOMVXVMXRND-UHFFFAOYSA-N	247.710	3.407	0	50	BGAA	
CC[C@H](SC)c1nc(-c2cnsc2)no1	864096869	LPUUXIOBEAQMLW-ZETCQYMHSA-N	241.341	3.007	0	50	BGAA	
Nc1cccc(C(=O)Nc2ccccc2Cl)c1	296003	PYDMNORWRJGVHA-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
O=Cc1sccc1-c1ccsc1C=O	334051	UYWAPXIXMROYBD-UHFFFAOYSA-N	222.290	3.102	0	50	BGAA	
Fc1ccc(CNCc2cccs2)cc1	360135	OXUMCYRKOFXTRG-UHFFFAOYSA-N	221.300	3.177	0	50	BGAA	
Cc1ccc(S[C@@H](C)C(=O)N2CCCC2)cc1	469484	RSYWHMJHSIOPIQ-LBPRGKRZSA-N	249.379	3.098	0	50	BGAA	
C[C@H](O)C(c1ccccc1)c1ccccc1	1765221	BDZAWYBXBHTHFM-LBPRGKRZSA-N	212.292	3.199	0	50	BGAA	in-vitro
CCCC[C@@H]1CN(C)CC[C@@]1(O)c1ccccc1	3684219	QSWUHCIUQIOCAM-HZPDHXFCSA-N	247.382	3.016	0	50	BGAA	
O=C(Nc1cc(F)cc(F)c1)c1cccs1	4740658	VNKCICWRZGSRDI-UHFFFAOYSA-N	239.246	3.279	0	50	BGAA	
CC(C)(C)c1cc(-c2ccccc2)[nH]n1	5045320	OYTIKIOENYCHPV-UHFFFAOYSA-N	200.285	3.374	0	50	BGAA	
Fc1ccc(-c2csc(S)n2)cc1	5731173	MWMWTZPSWBGHNI-UHFFFAOYSA-N	211.286	3.238	0	50	BGAA	in-vitro
COC(=O)N[C@H](C)c1ccc(C(C)C)cc1	12382944	IHGXODDKYUKKBN-SNVBAGLBSA-N	221.300	3.227	0	50	BGAA	
O=C(O)c1cc(-c2ccccc2)cnc1Cl	34225582	NBOKAEBXNZKDJZ-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
Clc1cccc(-c2cccc(Cl)n2)n1	34591283	WYCIUIOCIYSVOZ-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1cccc(Cl)c1	101671823	KIDDIYHMTIAMTB-KWBADKCTSA-N	249.741	3.258	0	50	BGAA	
Oc1cc(Cl)c(Cl)c(OC(F)F)c1	263623494	HXYDXKLSJSKZEV-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
CCOc1ccc(-c2cn(C)nc2CC)cc1	426405197	WDRJYNMRIKBAHW-UHFFFAOYSA-N	230.311	3.048	0	50	BGAA	
C[C@H]1CC(C)(C)N(C)c2c(C(=O)O)cccc21	616590843	LIZAWPUSJWLOBB-VIFPVBQESA-N	233.311	3.107	0	50	BGAA	
Cc1ccc(Cl)cc1NC(=O)c1ccncc1	119515	AUDIKPGTAPIRSN-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1	367462	OETFINUAVMEDNY-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
O=C(/C=C/c1ccccc1)n1cnc2ccccc21	4763702	SHUWQFLKYAKUGO-ZHACJKMWSA-N	248.285	3.390	0	50	BGAA	
Cc1cc(C)c2c(-c3ccccc3)n[nH]c2n1	5129387	JMHTXCYWMYZSSX-UHFFFAOYSA-N	223.279	3.242	0	50	BGAA	
O=C(c1ccc(F)cc1)N1CCCCCCC1	6726312	BXAJLPZTQVFYAX-UHFFFAOYSA-N	235.302	3.232	0	50	BGAA	
COc1ccc(Nc2cccc(C(=O)O)c2)cc1	34546938	RAYGAWWVJQZVJA-UHFFFAOYSA-N	243.262	3.137	0	50	BGAA	
NC(=O)C1(C2CCCCC2)CCCCC1	60009990	FDDYNLDAMPHNRR-UHFFFAOYSA-N	209.333	3.003	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1c1ccccc1	253592529	WTFDVYKYOCLAEW-XBFCOCLRSA-N	229.323	3.006	0	50	BGAA	
c1sc(C2CCOCC2)nc1C1CCC1	286499135	MVRAXIYXJQIUQM-UHFFFAOYSA-N	223.341	3.305	0	50	BGAA	
Clc1nc(Cl)c2c(n1)CCC1(CC1)C2	710198985	FZYKOQWXGPXJJU-UHFFFAOYSA-N	229.110	3.052	0	50	BGAA	
C=CC(=O)N[C@@](C)(CCC)c1ccccc1	1262556324	IVPWSZCUNBMJTM-AWEZNQCLSA-N	217.312	3.004	0	50	BGAA	
Oc1ccc(Nc2ncnc3ccccc23)cc1	65031	RWLYIYZYVWCDJW-UHFFFAOYSA-N	237.262	3.079	0	50	BGAA	
Cc1cc(C)c2c(=O)cc(C(F)(F)F)oc2c1	90030	CFVNYDCBJLNXSC-UHFFFAOYSA-N	242.196	3.429	0	50	BGAA	
CCOC(=O)Nc1ccc2ccccc2c1	393425	ZSPLIQCHGCWFCS-UHFFFAOYSA-N	215.252	3.408	0	50	BGAA	
CCc1cccc(NC(=O)N2CCCCC2)c1	397655	HSCGLDYQFWDMAW-UHFFFAOYSA-N	232.327	3.267	0	50	BGAA	
FC(F)(F)c1cccc(C[C@H]2CCCNC2)c1	2555472	NBJMMSXTOSDULN-LLVKDONJSA-N	243.272	3.248	0	50	BGAA	
CC[C@@H](C)NCCCOc1cc(C)ccc1C	2823327	IQKUNPPEPISLLY-CQSZACIVSA-N	235.371	3.460	0	50	BGAA	
Nc1nc(-c2cc3ccccc3o2)cs1	3092600	IQIAVCUUQIGJPO-UHFFFAOYSA-N	216.265	3.139	0	50	BGAA	
N[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	42684190	MSVVDWREITXLOD-SSDOTTSWSA-N	243.150	3.268	0	50	BGAA	in-vitro
Cc1nc(COc2cc(F)cc(F)c2)c(C)o1	585136976	AWXCXTGLERSNHB-UHFFFAOYSA-N	239.221	3.149	0	50	BGAA	
CNc1cccc(-c2noc(C3CCC3)n2)c1	725273582	MHRUFGIGRDMDBJ-UHFFFAOYSA-N	229.283	3.046	0	50	BGAA	
CNC(=O)c1ccc(C)c(-c2ccccc2)c1	1875360481	AZMSUERNVKLZFK-UHFFFAOYSA-N	225.291	3.022	0	50	BGAA	
COCn1c(-c2ccccc2)nc2ccccc21	194304	JSGBWOAUAYUWGL-UHFFFAOYSA-N	238.290	3.307	0	50	BGAA	
COc1ccc(Nc2ccccc2C(=O)O)cc1	241322	AOTGWRVCPVLSPA-UHFFFAOYSA-N	243.262	3.137	0	50	BGAA	in-vitro
CCc1cccc(C)c1NC(=O)N(CC)CC	397105	JEYCAVCNYHSPAU-UHFFFAOYSA-N	234.343	3.431	0	50	BGAA	
CCc1cccc(NC(=O)Oc2ccccn2)c1	398590	YAVYIWFBCVJNGT-UHFFFAOYSA-N	242.278	3.255	0	50	BGAA	
CSc1ccc(NC(=O)C(C)(C)C)cc1	401785	ARIRNKVWJRZHEC-UHFFFAOYSA-N	223.341	3.393	0	50	BGAA	
Cc1ccc(Nc2cccccc2=O)cc1	499657	OCPDYWQXVYDNJK-UHFFFAOYSA-N	211.264	3.099	0	50	BGAA	
CC(=O)NC1c2ccccc2Oc2ccccc21	2923816	PEXROCKTMQJXJY-UHFFFAOYSA-N	239.274	3.018	0	50	BGAA	
COc1ccc([C@@H](CCN)c2ccccc2)cc1	4991403	BOXAQKOVJLKRPK-INIZCTEOSA-N	241.334	3.176	0	50	BGAA	
CC[C@@H](C)NC(=S)Nc1ccc(Cl)cc1	9187089	MZZQYGGPTYZPPV-MRVPVSSYSA-N	242.775	3.425	0	50	BGAA	
c1cncc(NCCCNC2CCCCCC2)c1	65434677	YGGSRONLCLTYCB-UHFFFAOYSA-N	247.386	3.196	0	50	BGAA	
c1cc2c3c(c1)C[C@@H](NCC1CC1)C[C@@H]3CC2	96027589	MVHPZMFHBAZRLZ-LSDHHAIUSA-N	227.351	3.031	0	50	BGAA	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2cccnc2)C1	100411852	QPJRKVIWOCCPRZ-GOEBONIOSA-N	244.382	3.482	0	50	BGAA	
c1ccc(CNc2ccc(-n3ccnc3)cc2)cc1	121824858	LYAUAKUVNYICSX-UHFFFAOYSA-N	249.317	3.484	0	50	BGAA	
CCCC[C@@H]1C=CCN1Cc1cnn(C(C)C)c1	215167313	GZCIQTGDYDJSOW-OAHLLOKOSA-N	247.386	3.395	0	50	BGAA	
Cc1ccccc1CCCN1C[C@@H]2CCC[C@H]21	230169094	XYXKFEYDRKZHGA-JKSUJKDBSA-N	229.367	3.412	0	50	BGAA	
CCCOc1cc(F)c(Cl)cc1F	261494229	SGHPMOPFECWXBK-UHFFFAOYSA-N	206.619	3.407	0	50	BGAA	
Oc1ncnc2sc3c(c12)CCCCCC3	1772493191	NYXBGDVDGCDOPL-UHFFFAOYSA-N	234.324	3.056	0	50	BGAA	
Nc1nc(-c2ccc(Cl)s2)cs1	83146	KZOUOGWZDXYEDI-UHFFFAOYSA-N	216.718	3.107	0	50	BGAA	in-vitro
CCN(CC)Cn1c(=S)oc2ccccc21	193939	WNTGMQRKGLCSML-UHFFFAOYSA-N	236.340	3.263	0	50	BGAA	
c1ccc(CNc2nc3ccccc3[nH]2)cc1	347120	FXMPPQGQNSTUGE-UHFFFAOYSA-N	223.279	3.175	0	50	BGAA	in-vitro
COC(=O)Nc1ccc(Cl)c(Cl)c1	395270	WOZQBERUBLYCEG-UHFFFAOYSA-N	220.055	3.172	0	50	BGAA	in-vitro
O=C1CCc2ccc3c4c(ccc1c24)CC3	3132235	HGFSYLBZZZGFQG-UHFFFAOYSA-N	208.260	3.067	0	50	BGAA	
NNc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	4237588	PPYHCXZDQFXZJL-UHFFFAOYSA-N	242.366	3.440	0	50	BGAA	
COc1cc(O)cc(/C=C/c2ccc(O)cc2)c1	6483567	KUWZXOMQXYWKBS-NSCUHMNNSA-N	242.274	3.277	0	50	BGAA	biogenic,in-vitro
CC(C)Oc1cccc(NC(=O)c2ccco2)c1	9426002	DXDMJNFSZHYHPQ-UHFFFAOYSA-N	245.278	3.319	0	50	BGAA	
Cc1ccn2cc(-c3ccc(Cl)cc3)nc2n1	45028120	KQCJSJZITNXBLM-UHFFFAOYSA-N	243.697	3.358	0	50	BGAA	
CCCC[C@@H](CC)CNC(=O)c1ccccc1O	66324388	DOMCZOJLIRYAJT-GFCCVEGCSA-N	249.354	3.338	0	50	BGAA	
COC(=O)c1ccc(F)c(-c2ccccc2F)c1	97756993	PBFWUUGKRHKGNW-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
Cc1ccc2oc(N3CCCCC3)nc2c1	211257384	SMEBHMDZJSPAOP-UHFFFAOYSA-N	216.284	3.127	0	50	BGAA	
CCc1nc(-c2cccnc2N(C)C)ccc1C	1875241784	HFNOBKGNPFZLGZ-UHFFFAOYSA-N	241.338	3.080	0	50	BGAA	
c1ccc(Nc2nc3ccccc3[nH]2)cc1	391335	OUAAURDVPDKVAK-UHFFFAOYSA-N	209.252	3.307	0	50	BGAA	
CCCOC(=O)Nc1ccccc1CC	2166547	FKCIIIBFMKZRCE-UHFFFAOYSA-N	207.273	3.208	0	50	BGAA	
c1ccc2c(C3CCNCC3)cccc2c1	2391678	SSSBLYQLIOQJSB-UHFFFAOYSA-N	211.308	3.307	0	50	BGAA	
O=C(O)C1(c2ccccc2F)CCCCC1	2570121	ODLLDVJLQPBPPC-UHFFFAOYSA-N	222.259	3.112	0	50	BGAA	
Cc1cc(C)c(-c2csc(N)n2)cc1C	3335177	FWBGSQIZRDMXMI-UHFFFAOYSA-N	218.325	3.318	0	50	BGAA	in-vitro
N#Cc1ccc(C=NNc2ccccc2)cc1	19899049	CXCWFSDDYJMHAM-UHFFFAOYSA-N	221.263	3.004	0	50	BGAA	
C1=C[C@H]2O[C@@H]1c1cc3c(cc12)[C@H]1CC[C@@H]3O1	25631712	VJMPVNVCLUCNSI-KPWCQOOUSA-N	212.248	3.275	0	50	BGAA	
COC(=O)[C@@H]1CCCCCCCCCC[C@H]1O	43214742	PSFZBCFUPIGJHJ-CHWSQXEVSA-N	242.359	3.051	0	50	BGAA	
CCC(CC)NC(=O)c1ccc(Cl)cc1F	51203011	HJPNPIDMRJAFBV-UHFFFAOYSA-N	243.709	3.398	0	50	BGAA	
O=C1CCCc2c(Br)ccc(F)c21	238616568	MHGNQZRKKVWIIO-UHFFFAOYSA-N	243.075	3.107	0	50	BGAA	
Cc1noc(C)c1CN(C)[C@H]1CCC(C)(C)C1	335755811	AACQRGIDQUYQAQ-LBPRGKRZSA-N	236.359	3.302	0	50	BGAA	
C1=C[C@H]2C[C@H]1[C@H](CCNCc1ccccc1)C2	408525459	QZPAFTNIEQIBGQ-HRCADAONSA-N	227.351	3.379	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1C[C@H](C)[C@H]1C	585086440	BATBWVHBOFOGDH-NWDGAFQWSA-N	232.327	3.176	0	50	BGAA	
CC[C@H](C)c1nc(C)cc(Sc2ncc[nH]2)n1	1875286786	GFSWDJXWJPBHNH-QMMMGPOBSA-N	248.355	3.173	0	50	BGAA	
COc1ccc2c(Cl)c(C(=O)O)sc2c1	64964	LEAIEMOBUHEQNT-UHFFFAOYSA-N	242.683	3.262	0	50	BGAA	in-vitro
Cc1onc(-c2ccccc2Cl)c1C(=O)O	105306	UVEPOHNXGXVOJE-UHFFFAOYSA-N	237.642	3.002	0	50	BGAA	
CCC(=O)Nc1c(C)cc(C)cc1Cl	145383	PYBSFZXAYAVOOF-UHFFFAOYSA-N	211.692	3.305	0	50	BGAA	
Oc1ccccc1-c1nc2ccccc2o1	404432	GHGZVWOTJDLREY-UHFFFAOYSA-N	211.220	3.200	0	50	BGAA	in-vitro
O=C(/C=C/c1cccs1)NC1CCCCC1	475731	UKZJHFSZWBDVOV-CMDGGOBGSA-N	235.352	3.210	0	50	BGAA	
O=C(Nc1ccccc1)c1ccsc1	482046	WTLVFDPWZHDSCG-UHFFFAOYSA-N	203.266	3.000	0	50	BGAA	
CC(C)Cn1c(-c2ccccc2)n[nH]c1=S	5817383	FPKHPCNVTZTQPN-UHFFFAOYSA-N	233.340	3.264	0	50	BGAA	
CC[C@H](NC(=O)c1ccc(C)o1)c1ccccc1	6731796	FYCRCNJHOSFBHT-ZDUSSCGKSA-N	243.306	3.469	0	50	BGAA	
Cc1ccc2[nH]ccc2c1Br	38951834	DVCLJDAZHYRZHZ-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
CC(=O)c1cc(Br)cc2cc[nH]c12	49582171	LPQKQTUKOZNLJQ-UHFFFAOYSA-N	238.084	3.133	0	50	BGAA	
Cc1cccc(C[C@@H]2COc3ccccc3C2)n1	92061570	NCUKQONKENILRQ-CYBMUJFWSA-N	239.318	3.184	0	50	BGAA	
Cc1ccc(-c2ccc(O)cn2)c2cccnc12	96151862	ZLVRCKKVYIBARF-UHFFFAOYSA-N	236.274	3.311	0	50	BGAA	
C[C@@H](CN(C)C)c1ccc(Br)cc1	259075641	XQSVLEPCIIKDAC-VIFPVBQESA-N	242.160	3.114	0	50	BGAA	
C[C@]1(c2nc(-c3ccsn3)no2)CC=CCC1	333654445	FNRBRZQBRLHPTJ-LBPRGKRZSA-N	247.323	3.191	0	50	BGAA	
CC[C@@]1(c2cccc(O)c2)CCCCN(C)C1	854	JLICHNCFTLFZJN-OAHLLOKOSA-N	233.355	3.156	0	50	BGAA	biogenic,world
Cc1ccc2c(=O)cc(-c3ccco3)oc2c1	52433	XVEZXCLMBQBYBK-UHFFFAOYSA-N	226.231	3.361	0	50	BGAA	
CCc1nc(C)cc2cc(OC)c(OC)cc12	245137	OKVOPCLBYUZIEX-UHFFFAOYSA-N	231.295	3.123	0	50	BGAA	
CC(C)C(NC(=O)c1ccccc1)C(C)C	454288	DNWOYGGIOZNPCX-UHFFFAOYSA-N	219.328	3.097	0	50	BGAA	
CCCC/C(=C/c1ccccc1OC)C(=O)O	4789515	DJBOKRFPDDWUDF-BENRWUELSA-N	234.295	3.353	0	50	BGAA	
COc1ccc(N(Cc2ccccc2)N=O)cc1	4948288	XGHYAUOUQHYNKY-UHFFFAOYSA-N	242.278	3.383	0	50	BGAA	
CCCC[C@@H](CC)C(=O)N1CCCCC1	5792993	SZYCXOVPLQUANC-GFCCVEGCSA-N	211.349	3.215	0	50	BGAA	
CC(C)(C)c1cc(=O)cc(C(C)(C)C)o1	6212159	MTUPKGNTRSDPHM-UHFFFAOYSA-N	208.301	3.235	0	50	BGAA	
O=C1OC(c2ccccc2)=C2CCCC[C@H]12	17988991	FPZDARHGLAFAEP-LBPRGKRZSA-N	214.264	3.145	0	50	BGAA	
Cc1cc(C)c(S)c(Br)c1	36533054	WVIWIHOYUHZRLD-UHFFFAOYSA-N	217.131	3.355	0	50	BGAA	
CC(=O)c1ccc(-c2ccc(C)cc2)nc1	40448165	XKKPZONXQYGSIZ-UHFFFAOYSA-N	211.264	3.260	0	50	BGAA	
OCc1cc(Cl)c(OC(F)F)cc1Cl	263624113	NMPKABSRSMTWCU-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
O=C(Nc1ccccc1F)c1cccc(F)c1	299302	GKLOGYXHVPMZCL-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
Cc1cc(C)c(NC(=O)c2ccco2)cc1C	401767	GDWAKKDMIPACTD-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
C[C@H](Sc1ccccc1)C(=O)NC(C)(C)C	443600	PZSFGMODBFFFQR-JTQLQIEISA-N	237.368	3.082	0	50	BGAA	
CC(C)Oc1ccc2ccccc2c1C=O	453501	RIUGCNDMPSXTTC-UHFFFAOYSA-N	214.264	3.440	0	50	BGAA	
CN(C[C@@H]1CC=CCC1)C[C@H](O)c1ccccc1	4021490	XTEFZUUUYVDILA-ZBFHGGJFSA-N	245.366	3.008	0	50	BGAA	
C[C@@H]1CCCC[C@@H]1NCc1ccc2c(c1)OCO2	5005401	PQENMMWEJCXONM-YPMHNXCESA-N	247.338	3.084	0	50	BGAA	
Clc1ccnc(-c2cc(Cl)ccn2)c1	6119116	UBSRTSGCWBPLQF-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
OC1=NC(=S)S/C1=C/c1ccccc1	16971973	OONWCXLYKDWKOU-SOFGYWHQSA-N	221.306	3.016	0	50	BGAA	
CCC(=O)C[C@@]12C(=O)C(C)(C)C[C@@H]1CC[C@@H]2C	71786127	JGDUYALXKODLTC-PGUXBMHVSA-N	236.355	3.387	0	50	BGAA	
CC(C)Oc1cccc(Br)c1F	90411256	ZJEQAIGYSJXYHI-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	
COC(=O)c1cncc(-c2cc(C)cc(C)c2)c1	97757151	AARWYOUKZFABMQ-UHFFFAOYSA-N	241.290	3.152	0	50	BGAA	
C[Si](C)(C)CCOc1ccc2[nH]ccc2n1	170163148	DDJQUYSSFKJFHY-UHFFFAOYSA-N	234.375	3.280	0	50	BGAA	
Cc1ncccc1C(=O)N[C@@H]1CCCCC1(C)C	176800121	RZFWWJYRLZBKCO-CYBMUJFWSA-N	246.354	3.089	0	50	BGAA	
CC(C)=CCN[C@@H](C)c1cccc(O)c1	181576324	YDPWTRPHVUITSW-NSHDSACASA-N	205.301	3.009	0	50	BGAA	
c1ccc(-c2cnn(CC[C@@H]3CCCO3)c2)cc1	189031082	SAGNCISTSURZSH-HNNXBMFYSA-N	242.322	3.119	0	50	BGAA	
Cc1ccc(F)cc1-c1noc(C2CCC2)n1	273736988	LBDOXOBKCKXREU-UHFFFAOYSA-N	232.258	3.452	0	50	BGAA	
CC(=C1CCCC1)c1nc(-c2ccncc2)no1	333937332	LMNQKECHOUPVPT-UHFFFAOYSA-N	241.294	3.479	0	50	BGAA	
CC1(C)CC(CC(=O)N2CCC3(CCC3)C2)C1	334484416	ZYSHMYHJWSTMRA-UHFFFAOYSA-N	235.371	3.215	0	50	BGAA	
O=C(O)C1(c2ccc(F)cc2)CCCCC1	155790	XQKPSVJXJIFYAU-UHFFFAOYSA-N	222.259	3.112	0	50	BGAA	in-vitro
Cc1c(C)c(C)c2c(C[C@H](C)N)c[nH]c2c1C	403698	XGOZEJVHAMVJOA-QMMMGPOBSA-N	230.355	3.291	0	50	BGAA	
CC(C)c1ccc(C(=O)NCc2ccco2)cc1	476720	IVJLHGBBENDNAP-UHFFFAOYSA-N	243.306	3.333	0	50	BGAA	
Fc1cc(F)c(F)c(C(F)(F)F)c1	1706160	YFAHGRXUHXCMCT-UHFFFAOYSA-N	200.081	3.123	0	50	BGAA	
CCC(C)(C)[C@H]1CCc2nc(N)sc2C1	2574051	UWAQUYBLJCIERB-QMMMGPOBSA-N	224.373	3.266	0	50	BGAA	in-vitro
CC(C)(C)CC(=O)NCCC1=CCCCC1	4650997	ZYHYFCKLBQKCRO-UHFFFAOYSA-N	223.360	3.429	0	50	BGAA	
Cc1cc(C)c2nc(Cl)c(C(=O)O)cc2c1	5488631	GXNYWYKOVJHMJD-UHFFFAOYSA-N	235.670	3.203	0	50	BGAA	
Cc1ccc(C)c(-c2n[nH]cc2-c2ncc[nH]2)c1	67514277	FWAGFGZMBDCPRN-UHFFFAOYSA-N	238.294	3.084	0	50	BGAA	
COCCSc1ccc(Cl)cc1	96024724	BDDRVHJZLOKLST-UHFFFAOYSA-N	202.706	3.079	0	50	BGAA	
CCCCNC(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21	230172307	JFJVPAHJJOAPAX-FRRDWIJNSA-N	238.375	3.149	0	50	BGAA	
C[C@@H]1CC[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@]2(C)O)C1(C)C	239274937	AYXPYQRXGNDJFU-BQVODAHPSA-N	222.372	3.466	0	50	BGAA	endogenous,in-man
Fc1ccc2[nH]cc([C@@H]3CCCOC3)c2c1	255187016	ARNSJGSKFDYDKW-SECBINFHSA-N	219.259	3.201	0	50	BGAA	
O=C(O)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21	256168128	IOZRVTUKBUOZNP-ITGUQSILSA-N	220.312	3.400	0	50	BGAA	in-vitro
Cc1ccc(F)cc1-c1cnn(CC2CC2)c1	426497208	JSCSYUOFBDMSDT-UHFFFAOYSA-N	230.286	3.408	0	50	BGAA	
C=CC(=O)NC[C@H]1CCCC[C@H]1C(C)(C)C	1336675342	DRCNSWZQDQVGDD-VXGBXAGGSA-N	223.360	3.141	0	50	BGAA	
CCCCNC(=O)Nc1cc(C)ccc1C	1640148	MLXSPKJDTCGTNP-UHFFFAOYSA-N	220.316	3.225	0	50	BGAA	
c1cnc(NC2CCCCCCC2)nc1	2490169	HEGOKSBJLWTLNB-UHFFFAOYSA-N	205.305	3.001	0	50	BGAA	
CCOc1cccc(-c2cccc(C(=O)O)c2)c1	2581010	MXTHFRNNBDCGFY-UHFFFAOYSA-N	242.274	3.451	0	50	BGAA	
NCCOc1ccc(C2CCCCC2)cc1	4539155	CRQJNXLEVBZGRP-UHFFFAOYSA-N	219.328	3.072	0	50	BGAA	
CC1(C)C[C@@]2(C)OC(=O)N[C@]2(C)c2ccccc21	4717350	BZTQELZAQCTKGM-HUUCEWRRSA-N	245.322	3.082	0	50	BGAA	
CC1(C)CCC[C@@H]1NC1CCSCC1	86873103	XAKQZQKQTJXBFW-NSHDSACASA-N	213.390	3.050	0	50	BGAA	
c1ccc([C@H]2CCCC[C@]23CCCN3)cc1	96027440	UOVPTGPDKNPQRJ-CABCVRRESA-N	215.340	3.466	0	50	BGAA	
CCCn1ncnc1-c1ccccc1SC	96166894	ZKKXJQQBUHETMF-UHFFFAOYSA-N	233.340	3.077	0	50	BGAA	
C[C@@H]([C@H](C(=O)O)c1ccccc1)C(F)(F)F	117566077	NAADEMIOIIBNMB-CBAPKCEASA-N	232.201	3.053	0	50	BGAA	
CCSCc1nc2ccccc2nc1C	194092630	CHDPTNJSRKTQKZ-UHFFFAOYSA-N	218.325	3.191	0	50	BGAA	
c1cc(-c2ccc(CN3CCCC3)cc2)ccn1	426424197	FJPVXDHJCUSYLI-UHFFFAOYSA-N	238.334	3.344	0	50	BGAA	
CCc1cc(NC(=O)[C@H]2CC2(C)C)ccc1F	671858624	NFMDXHAAHZVNJW-LLVKDONJSA-N	235.302	3.373	0	50	BGAA	
CC(C)c1ccc(C(=O)Nc2ccccn2)cc1	476743	SDOPJFVCPDSIDQ-UHFFFAOYSA-N	240.306	3.457	0	50	BGAA	
O=Cc1cc(Cl)cc(C(F)(F)F)c1	2527768	NWSKKQLZBXTZTP-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
COc1cccc(-c2ccc(C(=O)O)cc2)c1	2574067	OAMJQKDGQYAQKD-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
COc1cccc(OCCOc2ccccc2)c1	2983680	BOEKEYBECBFDSY-UHFFFAOYSA-N	244.290	3.153	0	50	BGAA	
CC(C)C[C@@H]1CCC[C@H](CC(C)C)N1CCO	5633021	VCBVSHSBEVILBE-GASCZTMLSA-N	241.419	3.294	0	50	BGAA	
Cc1ccc(NC(=O)c2ccccc2C)c(N)c1	5798780	NRWBZFQBGFCWMB-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
COc1ccc(-c2noc(CC(C)(C)C)n2)cc1	6697725	SXKIHCKRCWGMOY-UHFFFAOYSA-N	246.310	3.334	0	50	BGAA	
O=C(NC1CCCC1)c1cc2ccccc2o1	6701945	ZUUNOLYECKILPZ-UHFFFAOYSA-N	229.279	3.105	0	50	BGAA	
CN(CCc1ccccc1)CCc1ccccc1	8462709	XVWQQNARVMHZBP-UHFFFAOYSA-N	239.362	3.404	0	50	BGAA	in-man
CNC[C@@H]1O[C@@H]2CCCC[C@@H]2c2sccc21	14987507	SSQGFXDMCNKSBL-WCQGTBRESA-N	237.368	3.065	0	50	BGAA	
CCC(=O)Nc1cc(C)nc2ccc(C)cc12	16625579	DFGXORLOHLPHKY-UHFFFAOYSA-N	228.295	3.200	0	50	BGAA	
CSCCOc1ccc(C(C)=O)cc1Cl	129187044	KJTNSXHENBWUMQ-UHFFFAOYSA-N	244.743	3.284	0	50	BGAA	
CC(C)N(CC[C@H](CN)c1ccccc1)C(C)C	169725208	KWEGZAQREDEIQL-MRXNPFEDSA-N	248.414	3.238	0	50	BGAA	
Cc1nc(C(=O)OCCC(C)(C)C)cs1	170595597	XSAAWNPQFKJECD-UHFFFAOYSA-N	227.329	3.045	0	50	BGAA	
CCc1cccc(F)c1Br	214416414	YPCVKNZKNATPRC-UHFFFAOYSA-N	203.054	3.151	0	50	BGAA	in-vitro
C1CC[C@@H]2[C@@H](C1)OCCN2C[C@@H]1C[C@H]2CC[C@H]1C2	240412627	FNLLDLCPAKJKGY-RFBLXINOSA-N	249.398	3.066	0	50	BGAA	
Cc1ccnc(N2CCC[C@@H]2c2cccnc2)c1	336057717	GKPRZMIDZOAUSK-CQSZACIVSA-N	239.322	3.127	0	50	BGAA	
CC[C@H](C)NC(=S)Nc1cccc(C)c1	472893	GXGVXHAWMUQMAE-JTQLQIEISA-N	222.357	3.080	0	50	BGAA	
CCOC(=O)C(C)(C)Oc1cccc(C)c1C	1459690	ITCAIDSXFGRLRI-UHFFFAOYSA-N	236.311	3.024	0	50	BGAA	
COC(=O)CC(c1ccccc1)c1ccccc1	1460624	JFNSORWJLKDFCB-UHFFFAOYSA-N	240.302	3.382	0	50	BGAA	
COC(=O)c1sc(-c2ccc(C)cc2)cc1N	2528737	WRVIBRNCJCBFCI-UHFFFAOYSA-N	247.319	3.092	0	50	BGAA	
CCOP(=O)(Nc1cccc(F)c1)OCC	2810080	VPKZMVPVZCHNLX-UHFFFAOYSA-N	247.206	3.419	0	50	BGAA	
COCCCNCc1cccc(Cl)c1Cl	13718182	ARQUPSPCVKGCEN-UHFFFAOYSA-N	248.153	3.120	0	50	BGAA	
CC1=CC(=O)Nc2cccc3cccc(c23)N1	18255513	KVXIYCDHSAFTMO-UHFFFAOYSA-N	224.263	3.108	0	50	BGAA	
Cc1c(S)ccc(Br)c1F	36533073	HBBGCZRVBKORBZ-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
Cc1c2c(Cl)c3ccccc3nc2nn1C	43190855	YTRMSNHRUIHCPZ-UHFFFAOYSA-N	231.686	3.083	0	50	BGAA	
CCCC(CCC)N[C@@H](CO)Cc1ccccc1	63217951	CCQDBZFGSSWAOY-MRXNPFEDSA-N	249.398	3.148	0	50	BGAA	
CC(C)(O)C/C=C/Sc1ccccc1	71786000	WNHGQEDLWIPLOK-UXBLZVDNSA-N	208.326	3.453	0	50	BGAA	
Fc1c(S)ccc(Br)c1F	71792185	PAZWEKHMOVSKCC-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
C[C@H](NC(=O)OC(C)(C)C)c1cccc(C=O)c1	113985366	YDICSILDLWDIGU-JTQLQIEISA-N	249.310	3.085	0	50	BGAA	
CC(C)(C)OC(=O)c1ccc(Cl)nc1Cl	117673263	GTWXYRAFRYVGNS-UHFFFAOYSA-N	248.109	3.344	0	50	BGAA	
CCSc1ncc(Br)cc1C	163483044	WFSJBQFQPCFNHI-UHFFFAOYSA-N	232.146	3.265	0	50	BGAA	
CC(C)=CCC[C@@H](C)NC[C@@H]1CCCC[C@@H]1O	215923831	CFGUSOPSPICELP-ILXRZTDVSA-N	239.403	3.262	0	50	BGAA	
Brc1cnc2[nH]cc(C3CC3)c2c1	237994839	QCLUDPYHOMETIY-UHFFFAOYSA-N	237.100	3.203	0	50	BGAA	
O[C@]1(c2ccccc2)C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	245225284	RHJLKXNREDSSQB-GAUGTXIDSA-N	228.335	3.330	0	50	BGAA	
Cc1cc(CN2CCC[C@H]3CCCC[C@H]32)no1	248877566	RHQUDISNHHNXOT-TZMCWYRMSA-N	234.343	3.138	0	50	BGAA	
COCC[C@@H](C)NC1(Cc2ccc(C)cc2)CC1	534672312	IMZCUWCTTQFHIH-CQSZACIVSA-N	247.382	3.085	0	50	BGAA	
CC(C)O[C@H]1CC(=O)CC[C@@H]1C(C)(C)C	725360597	IRYMYOUOVWBBDF-RYUDHWBXSA-N	212.333	3.195	0	50	BGAA	
Oc1ccccc1-c1cc(C(F)(F)F)on1	237601	BYDNWVIKLHIWSM-UHFFFAOYSA-N	229.157	3.066	0	50	BGAA	
COc1ccccc1C(=O)Nc1ccc(F)cc1	299769	XWSMOGNYTBLKPT-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
Cc1cnc(NCCc2ccccc2)s1	528766	XNYRJUSVIKOJKQ-UHFFFAOYSA-N	218.325	3.106	0	50	BGAA	
Oc1cc(Cl)c(-c2cccc(Cl)c2)nn1	1494951	UQAHTZKJQBMATM-UHFFFAOYSA-N	241.077	3.156	0	50	BGAA	
CCCOc1ccc2c3c(c(=O)oc2c1)CCC3	1927100	LLKFEWYDEXDGGJ-UHFFFAOYSA-N	244.290	3.071	0	50	BGAA	biogenic
CCCCCc1ccc(-c2ccc(=O)[nH]n2)cc1	8674211	PWWVDTDJZFDTAS-UHFFFAOYSA-N	242.322	3.170	0	50	BGAA	
CC(C)[C@@H](C)N(Cc1c[nH]cn1)Cc1ccco1	55245372	MEGNGGJBCRQLLD-GFCCVEGCSA-N	247.342	3.049	0	50	BGAA	
Fc1ccc(OCC2CC2)c(Cl)c1	74937863	DGIDIOQWOUEYJC-UHFFFAOYSA-N	200.640	3.268	0	50	BGAA	in-vitro
COC(C)(C)[C@@H]1CCCN1Cc1ccccc1	215583106	UXSHWCARSAJKIO-AWEZNQCLSA-N	233.355	3.076	0	50	BGAA	
NC(=O)c1cc2c(C(F)(F)F)cccc2s1	223878488	SEAXDZBIZPTLGA-UHFFFAOYSA-N	245.225	3.019	0	50	BGAA	
CC(C)(CCO)Nc1cccc2ccccc12	257373279	UKNBUJUTXHWGFZ-UHFFFAOYSA-N	229.323	3.413	0	50	BGAA	
CC[C@@H](NC(=O)C(C)(C)C)c1ccc(C)cn1	584887371	DNSPTZFJMXDZSP-LLVKDONJSA-N	234.343	3.003	0	50	BGAA	
COc1c(C)cc(-c2nncc(C)c2C)cc1C	2100482664	POCCAUMXXPMWBW-UHFFFAOYSA-N	242.322	3.386	0	50	BGAA	
Brc1ccc2[nH]c3c(c2c1)CCC3	81142	XKDWSCYYHKJAGK-UHFFFAOYSA-N	236.112	3.419	0	50	BGAA	
COc1ccc(CN(C)Cc2ccccc2)cc1	277471	XDKZTJMBMMIJTG-UHFFFAOYSA-N	241.334	3.327	0	50	BGAA	
O=C(OC[C@H]1CC=CCC1)C1CCCC1	392623	ZNUQHZPZYHKQJH-NSHDSACASA-N	208.301	3.076	0	50	BGAA	
CC(=O)Cc1ccc(Cl)cc1Cl	2558078	ITVVHXZQWSCZBC-UHFFFAOYSA-N	203.068	3.125	0	50	BGAA	in-vitro
C[C@]1(c2ccccc2)OC(=O)[C@@H]2CC=CC[C@@H]21	12384163	TYWXTPZJOBOWNJ-VNHYZAJKSA-N	228.291	3.041	0	50	BGAA	
CCc1ccc(NC(=O)c2cc(CC)on2)cc1	20192616	MHNXCYYMTIUXSY-UHFFFAOYSA-N	244.294	3.052	0	50	BGAA	
Cc1cc(C=O)ccc1-c1cccc(O)c1	725269495	MILYHAWGSIJMOE-UHFFFAOYSA-N	212.248	3.180	0	50	BGAA	
CN(CCc1ccccc1)Cc1ccc(O)cc1	279126	DDUYNRPVBFQQSQ-UHFFFAOYSA-N	241.334	3.067	0	50	BGAA	
COc1ccc(OCc2ccccc2)c(C=O)c1	448016	HJZNOASMPBTKJX-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	
O=C(O)c1cccc(NCc2ccc(F)cc2)c1	529296	QEICLJWFMDHMSX-UHFFFAOYSA-N	245.253	3.136	0	50	BGAA	
Cc1ccc(CC(=O)Nc2ccccc2F)cc1	578015	HGJYUYYTGTWVBA-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
CCC[C@]1(c2cccc(OC)c2)C[C@@H](C)N(C)C1	5560988	FQHBZOZTHKHSBP-CJNGLKHVSA-N	247.382	3.457	0	50	BGAA	
COc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1	6726440	NIEUZWYUZFOKCF-LLVKDONJSA-N	247.338	3.063	0	50	BGAA	
COc1ccc(F)c(C(=O)C2CCCC2)c1	44125095	BBXNIHYFHPFZNJ-UHFFFAOYSA-N	222.259	3.207	0	50	BGAA	
COc1cc(-c2ccc(C)cc2)ccc1O	65342274	JEFCVPVCZSUHHW-UHFFFAOYSA-N	214.264	3.376	0	50	BGAA	
CC(C)CSc1ccc(Cl)cn1	78431841	OEOLJEVNESNEFV-UHFFFAOYSA-N	201.722	3.483	0	50	BGAA	
CC1=CCC[C@H](C)[C@@H]1CN[C@H]1CCCOCC1	225515765	UUVBEIWDKHLIKD-SOUVJXGZSA-N	237.387	3.138	0	50	BGAA	
CC(=O)C(C)(C)C1=C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@H]32	230110839	BPFQWIATIYHZIM-OWTLIXCDSA-N	214.308	3.146	0	50	BGAA	
CCCOc1nccc(Cl)c1Cl	261493504	CKXXPHVHVMGADJ-UHFFFAOYSA-N	206.072	3.177	0	50	BGAA	
O=C(N[C@H]1CCCCC12CCCC2)C1CC1	335570550	FBFJZQXVKONLCN-LBPRGKRZSA-N	221.344	3.016	0	50	BGAA	
Cc1nc2c(=O)oc3ccccc3c2n1C(C)C	258903	TYCPJUKGOSVCTL-UHFFFAOYSA-N	242.278	3.032	0	50	BGAA	
Cc1nc(Cl)c2c3c(sc2n1)CCC3	289848	INKZGTQKVYLRPM-UHFFFAOYSA-N	224.716	3.142	0	50	BGAA	in-vitro
CCC[C@@H](Cc1ccccc1)N1CCCC1	1678599	OJCPSBCUMRIPFL-HNNXBMFYSA-N	217.356	3.494	0	50	BGAA	biogenic,world
Cc1cc(Cl)c(C(=O)O)cc1Cl	2016186	KZEKKSQWQXNSBB-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	
CNCCCOc1ccccc1-c1ccccc1	2187415	XKUZHEKJQDWTDB-UHFFFAOYSA-N	241.334	3.342	0	50	BGAA	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccccc1	4019970	MLILZFACFPQHDN-CHWSQXEVSA-N	231.339	3.019	0	50	BGAA	
O[C@@H](c1cccc(F)c1)c1ccc(F)c(F)c1	4290148	BNJQWECBHNESTE-ZDUSSCGKSA-N	238.208	3.186	0	50	BGAA	
Cc1cc2nnn(Cc3ccccc3)c2cc1C	5379676	OELKHJFKLRDFKS-UHFFFAOYSA-N	237.306	3.096	0	50	BGAA	
CCc1nc(-c2ccc(C(F)(F)F)cc2)no1	5954435	VDVRPNYSZWNBDI-UHFFFAOYSA-N	242.200	3.318	0	50	BGAA	
CCCc1nnc(S)n1[C@@H](C)c1ccccc1	6400102	DCTCVDYHFCCCKC-JTQLQIEISA-N	247.367	3.129	0	50	BGAA	
Cc1ccsc1CNc1ccccc1C(=O)O	6700995	ZYWXNFBCJQXAQB-UHFFFAOYSA-N	247.319	3.367	0	50	BGAA	
C[C@@H]1CCC[C@@H](C)N1C(=O)NC1CCCCC1	6729965	VODAXQMWKPJJBR-VXGBXAGGSA-N	238.375	3.292	0	50	BGAA	
Fc1cc(Cl)ccc1/C=C/c1ccnnc1	170602835	UXPNXDYGODQVIE-OWOJBTEDSA-N	234.661	3.440	0	50	BGAA	
OCc1cc(OC(F)F)cc(Cl)c1Cl	263622986	CRHBQNFVVRFRHJ-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
Cc1ccc(-c2ccncc2F)cc1F	725242674	SZDITLIAUOIMPU-UHFFFAOYSA-N	205.207	3.335	0	50	BGAA	
CCC(=O)c1cc(C(F)(F)F)ccc1F	156303	SCKAMDGXXQFMFY-UHFFFAOYSA-N	220.165	3.437	0	50	BGAA	in-vitro
CCOC(=O)Nc1ccc(Br)cc1	397330	ZETBYFYOBYYVOE-UHFFFAOYSA-N	244.088	3.018	0	50	BGAA	in-vitro
O=C(Nc1ccccc1)Nc1ccc(O)cc1	406515	BNIXCWKOADUVSB-UHFFFAOYSA-N	228.251	3.036	0	50	BGAA	in-vitro
CCOC(=O)c1oc2ccc(C)cc2c1C	15017042	SORWKMANHPUFPA-UHFFFAOYSA-N	218.252	3.226	0	50	BGAA	
O=C(O)c1ccc(F)c(-c2ccccc2)c1	20397747	IVXQPJLZRIHSJG-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
O=Cc1c(Cl)cc(Cl)cc1Cl	33822875	TWFSYIOOAAYYAL-UHFFFAOYSA-N	209.459	3.459	0	50	BGAA	
FC(F)(F)c1ccn(C2CCCC2)n1	85020309	QEJYBYQGUSANCM-UHFFFAOYSA-N	204.195	3.017	0	50	BGAA	
CN(C)C1(c2cccs2)CCCCC1	96026684	NVSPDHCGDWOKEV-UHFFFAOYSA-N	209.358	3.469	0	50	BGAA	
C=CC(=O)Nc1ccc2nc(C3CC3)sc2c1	791345382	CPQCGPULMBEZEO-UHFFFAOYSA-N	244.319	3.298	0	50	BGAA	
CC[C@@H](C)c1nc(C)cc(Sc2ncc[nH]2)n1	1875286785	GFSWDJXWJPBHNH-MRVPVSSYSA-N	248.355	3.173	0	50	BGAA	
Nc1cnc(-c2cc3c(F)cccc3s2)cn1	1875340212	QLVPZYWKDVKQGW-UHFFFAOYSA-N	245.282	3.080	0	50	BGAA	
CCC(=O)Nc1ccc(N2CCCCC2)cc1	146921	XKUHNGRESLSHAB-UHFFFAOYSA-N	232.327	3.025	0	50	BGAA	
Cc1ccc(NC(=O)Nc2cccnc2)cc1	291257	XSLYKIOJGJDUTR-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
COc1ccc(C=O)c(OCc2ccccc2)c1	336949	NQOXTICIDSITGA-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro
CCCCC(=O)Nc1ccccc1OCC	2755546	MNBQCYBLZCXHFX-UHFFFAOYSA-N	221.300	3.214	0	50	BGAA	
Clc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1	4859459	NKUATTPCTPEBMV-GFCCVEGCSA-N	246.741	3.275	0	50	BGAA	
COc1ccc(CN(C)C2CCCCC2)cc1	4987006	WSLKNVRSFWMKGL-UHFFFAOYSA-N	233.355	3.460	0	50	BGAA	
CCOC(=O)[C@@H](CC)Oc1cccc(Cl)c1	6603646	WZPLXERRAOYRES-LLVKDONJSA-N	242.702	3.061	0	50	BGAA	
C[C@H](c1ccncc1)[C@H](C)c1ccncc1	8701002	XGJXWHRUXUVTKK-RYUDHWBXSA-N	212.296	3.384	0	50	BGAA	
CC(C)(N)c1ccc(Cl)cc1Cl	11884859	OMMFVVXZEQHBLP-UHFFFAOYSA-N	204.100	3.187	0	50	BGAA	in-vitro
COc1ccc(/C=C\c2ccccn2)cc1	23279524	YVXLWJRTXKPYON-YVMONPNESA-N	211.264	3.261	0	50	BGAA	
Clc1ccc(Br)nc1Cl	35270462	BBYIDUQXOFZISY-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
Brc1csc(CN2CCCC2)c1	50499404	IJFJBMSABCRTQS-UHFFFAOYSA-N	246.173	3.106	0	50	BGAA	
CCCCc1ccc(Cl)c(C(=O)O)c1	67794433	JZAYPFCMBPFBCY-UHFFFAOYSA-N	212.676	3.381	0	50	BGAA	
CCOC(=O)Cc1cc(Cl)cc(Cl)c1	138181538	WMXMFJJIJKZOGZ-UHFFFAOYSA-N	233.094	3.099	0	50	BGAA	
OCc1c(Cl)cc(OC(F)F)cc1Cl	263623602	IXWAFMFGMDHDMW-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
Cc1cc(C)n2nc(-c3ccccc3)cc2n1	165335	AZWWKRAUFGDLEV-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	in-vitro
Cn1c(-c2ccccc2)csc1=S	2169635	YGZDFPNBMUHUON-UHFFFAOYSA-N	207.323	3.483	0	50	BGAA	in-vitro
NCc1ccc(Oc2ccc(F)cc2)cc1	2386702	ZQTJTARQSZTPGD-UHFFFAOYSA-N	217.243	3.077	0	50	BGAA	in-vitro
O=Cc1ccc(-c2ccccc2)c(F)c1	2548230	BBFKVFLWRKZSPM-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	
O=Cc1ccccc1Oc1ccccc1C=O	2556908	LMJZLKFWMQOYKU-UHFFFAOYSA-N	226.231	3.104	0	50	BGAA	in-vitro
O=C(NCCC1=CCCCC1)c1ccc(O)cc1	4834515	FDKSBQKRSUWANU-UHFFFAOYSA-N	245.322	3.013	0	50	BGAA	
CN(C)CCC(=O)c1ccc(Cl)c(Cl)c1	5060480	LZXMNZWXKWSYMY-UHFFFAOYSA-N	246.137	3.128	0	50	BGAA	in-vitro
c1ccc([C@@H]2C[C@H]3C[C@@H](c4ccco4)N2O3)cc1	13119989	BTDMDCMAYSCHMS-IHRRRGAJSA-N	241.290	3.472	0	50	BGAA	
Cc1ccc(NC(=O)Nc2ccccc2F)nc1	13161645	VWPYCSYYCMQQCB-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
CCCOc1ccc(-c2cccnc2)cc1CO	32558330	UTPKFVMUSYTQOY-UHFFFAOYSA-N	243.306	3.030	0	50	BGAA	
O=C1C=C(C2([C@H](O)c3ccccc3)CC2)CCC1	45071752	WNFDPYGPSCIGBQ-OAHLLOKOSA-N	242.318	3.180	0	50	BGAA	
Cc1c(C)c(C)c2[nH]c(-c3c[nH]cn3)nc2c1C	55360329	ORRZCDHYETYFAI-UHFFFAOYSA-N	240.310	3.187	0	50	BGAA	
Cc1c(O)ccc(-n2ccnc2C2CC2)c1C	77503792	CWKWIXNRJQSYJM-UHFFFAOYSA-N	228.295	3.072	0	50	BGAA	
C[C@H]1CC[C@H](NCc2ccccc2)CC1	103589512	VNWCMZIKLFWDSD-XBXGTLAGSA-N	203.329	3.355	0	50	BGAA	
CC(C)n1cc2ccc(Br)cc2n1	220756735	MQOKAQAAJOXTOY-UHFFFAOYSA-N	239.116	3.380	0	50	BGAA	
Cc1ccc(C(=O)OCc2ccncc2)cc1C	225665079	ZJJBMDPCARBNNA-UHFFFAOYSA-N	241.290	3.055	0	50	BGAA	
C1CC[C@@H]2[C@@H](C1)OCCN2C[C@H]1C[C@H]2CC[C@H]1C2	240412624	FNLLDLCPAKJKGY-AALSBFMBSA-N	249.398	3.066	0	50	BGAA	
COc1ccc(-c2c(C)n[nH]c2C)c(Cl)c1	904787470	YVBGGSCOYKEKEZ-UHFFFAOYSA-N	236.702	3.356	0	50	BGAA	
Cc1cc(C)nc(CN(C)C[C@H]2CC=CCC2)c1	952983821	RSANZSRVPOZUMC-HNNXBMFYSA-N	244.382	3.487	0	50	BGAA	
C=CC(=O)N(C)[C@H]1CCCC[C@@H]1c1ccccc1	1335866666	KCYDNYNWAHDKSZ-CABCVRRESA-N	243.350	3.357	0	50	BGAA	
NC(=O)c1cccc2c(-c3ccncc3)cccc12	1506396963	XNPIQUINNNQAOK-UHFFFAOYSA-N	248.285	3.001	0	50	BGAA	
Cn1ccc2c(CN3C[C@@H]4C[C@@]4(C)C3)cccc21	1772815695	SYDVMQJWEIHUQX-BBRMVZONSA-N	240.350	3.020	0	50	BGAA	
Cc1ccc(NC(=O)CC(C)(C)C)cc1	30709	SODSCXOEHSXOQA-UHFFFAOYSA-N	205.301	3.370	0	50	BGAA	
C[C@@H](NC(=O)c1ccccc1)c1ccccc1	38450	FALTVGCCGMDSNZ-GFCCVEGCSA-N	225.291	3.178	0	50	BGAA	biogenic
O=C1Nc2ccccc2S[C@@H]1c1ccccc1	70527	DLALSZUJBMNOHZ-CYBMUJFWSA-N	241.315	3.472	0	50	BGAA	
Cc1nc(=S)c2c3c(sc2[nH]1)CCC3	1811384	MWFZEUBQIDDVDU-UHFFFAOYSA-N	222.338	3.151	0	50	BGAA	in-vitro
O=C(NCCCc1ccccc1)c1ccccc1	2951176	WWHBQLKTQNBYQG-UHFFFAOYSA-N	239.318	3.049	0	50	BGAA	
CC(=O)c1ccc([S@@](=O)c2ccccc2)cc1	4073660	CROHGGUWSDCQOC-QGZVFWFLSA-N	244.315	3.056	0	50	BGAA	
CC(=O)Nc1ccc(Cl)c(Cl)c1C	4761357	CWMPSUWAYKWURQ-UHFFFAOYSA-N	218.083	3.260	0	50	BGAA	
CC(C)C(=O)Nc1ccc(C(F)(F)F)cc1	12381932	WJTIFLYKIGCDQF-UHFFFAOYSA-N	231.217	3.300	0	50	BGAA	
Cc1ccc2c(c1)[C@H](Cc1cccs1)C(=O)N2	96822476	RNIBCZOOLFHTQO-LBPRGKRZSA-N	243.331	3.335	0	50	BGAA	
Cc1nc(C)c(C)c(N2C[C@@H]3CCC[C@H](C3)C2)n1	102352009	XDHATAGVIRQGTB-ZIAGYGMSSA-N	245.370	3.028	0	50	BGAA	
CO[C@@H](C)c1cccc(Br)c1	169140609	ZKSUFDOUHNDHQO-ZETCQYMHSA-N	215.090	3.157	0	50	BGAA	
c1cc2c(c(C3CCCCC3)c1)CCNC2	232474310	YSRHODVYBKGHGD-UHFFFAOYSA-N	215.340	3.380	0	50	BGAA	
CCC/C=C/c1cc(N2CCCCC2)ncn1	426409033	RCQJLOPXZCVPJA-VMPITWQZSA-N	231.343	3.280	0	50	BGAA	
CO[C@H](C)c1cccc(-c2cccc(N)n2)c1	426545410	OYOOFNFTCCQSSU-SNVBAGLBSA-N	228.295	3.038	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N(C)[C@H]1CCCc2ccccc21	612775205	WOOKPBOYVZRVEE-UGFHNGPFSA-N	243.350	3.178	0	50	BGAA	
COc1cccc(-c2cccc3[nH]ncc23)c1F	1240313910	AQXRZMVKYMLMLA-UHFFFAOYSA-N	242.253	3.378	0	50	BGAA	
Oc1cccc2c1oc1ccc(F)cc12	1776031848	WJSLYFRQAYLUGX-UHFFFAOYSA-N	202.184	3.431	0	50	BGAA	
NC(=O)c1cc2ccc(C(F)(F)F)cc2s1	1848350268	PZTKWOCMRLNRSJ-UHFFFAOYSA-N	245.225	3.019	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccc(OC)cc1	373297	WAIGVHVKQCMLCB-SNVBAGLBSA-N	221.300	3.070	0	50	BGAA	
CCOc1ccc(NCc2ccncc2)cc1	570809	HSIXEEFFNPXINJ-UHFFFAOYSA-N	228.295	3.092	0	50	BGAA	
Clc1nc2cccc3cccc([nH]1)c32	2541134	TWEGKOWCJNQSMS-UHFFFAOYSA-N	202.644	3.370	0	50	BGAA	
CC(C)Oc1ccc(C(F)(F)F)cc1N	4138962	PTRMADBLPXBJBJ-UHFFFAOYSA-N	219.206	3.075	0	50	BGAA	
CCCCCCc1nnc2n1CCCCC2	6756422	ZENKKYBUJLUKFT-UHFFFAOYSA-N	221.348	3.127	0	50	BGAA	
COc1cc(-c2cccc(C(=O)O)c2)ccc1C	65336958	SLWJRQGPKGBLCZ-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
FC(F)(F)c1cccnc1N1CCCCC1	73770500	ZNYHIWMJPXRGPV-UHFFFAOYSA-N	230.233	3.091	0	50	BGAA	in-vitro
Cc1cc(/C=C/C(=O)O)cc(Cl)c1Cl	263624076	NEXSEBLZFHLHCH-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
O=C(NC1CCCCC1)c1ccnc(C2CC2)c1	361099442	FGFZYOUJDXTIPZ-UHFFFAOYSA-N	244.338	3.022	0	50	BGAA	
Cc1onc(-c2sccc2Cl)c1C(=O)O	675057315	AFNGUVUKHXQTNC-UHFFFAOYSA-N	243.671	3.063	0	50	BGAA	
C=CC(=O)N1CCCC2(CCCCC2)CC1	863971090	DVDXZIFRIDNOLN-UHFFFAOYSA-N	221.344	3.135	0	50	BGAA	
Cc1ccccc1C(=O)N1CCCC[C@H]1C	101440	LDSRBZAVERTFSJ-GFCCVEGCSA-N	217.312	3.010	0	50	BGAA	
c1cc(N2CCCCC2)nc(N2CCCCC2)c1	331468	YUZOFHAVKNEMIR-UHFFFAOYSA-N	245.370	3.062	0	50	BGAA	
COc1ccccc1C(=O)NC(C(C)C)C(C)C	382626	FFCLQPPAQOQWJF-UHFFFAOYSA-N	249.354	3.106	0	50	BGAA	
CCN(C(C)=O)c1cccc2ccccc12	451474	CXRLULLGTITSMU-UHFFFAOYSA-N	213.280	3.213	0	50	BGAA	
Oc1ccc([C@@H]2CCc3ccccc32)cc1	2163920	GISZMQWQAFRGHL-HNNXBMFYSA-N	210.276	3.470	0	50	BGAA	in-vitro
Nc1c(C(F)(F)F)cccc1C(F)(F)F	2243794	KEYVECAMLDRXSJ-UHFFFAOYSA-N	229.123	3.306	0	50	BGAA	
FC(F)Oc1ccccc1Br	2559323	VHEICCMNYWNFQX-UHFFFAOYSA-N	223.016	3.051	0	50	BGAA	in-vitro
CC(C)N[C@@H](CN1CCCCC1)c1ccccc1	38869808	MOSZAQRPQVSXBM-INIZCTEOSA-N	246.398	3.212	0	50	BGAA	
Clc1ncc2c(Br)cccc2n1	85221470	XJDPGQHSQGMWEV-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
O=Cc1c(F)cc(Br)cc1Cl	222768890	SEDZRCPUNFGODD-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
OCc1c(Cl)cc(Cl)cc1OC(F)F	263623644	JGRMTYHZXIUMLH-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
COc1ccc2c(c1)N(C(C)=O)C(C)(C)C[C@H]2C	618257506	YPMIFRIZLOXFCY-SNVBAGLBSA-N	247.338	3.334	0	50	BGAA	
O=Cc1cc(F)ccc1-c1ccc(C(=O)O)cc1	725272719	UHQHAZVAFFTTRM-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
O=C(Cc1cccs1)Nc1cccc(F)c1	373319	GBHNOCBUWULELK-UHFFFAOYSA-N	235.283	3.068	0	50	BGAA	
CC(C)(C)C(=O)NCCc1ccc(Cl)cc1	408631	TWAKXXSOCYUUOG-UHFFFAOYSA-N	239.746	3.045	0	50	BGAA	
COc1cccc(C(=O)NC(C(C)C)C(C)C)c1	453458	DSFWNJGZZZAFRA-UHFFFAOYSA-N	249.354	3.106	0	50	BGAA	
c1ccc2c(CNC[C@@H]3CCCO3)cccc2c1	576459	CLVXIFKQNMXQFQ-HNNXBMFYSA-N	241.334	3.108	0	50	BGAA	
CC(=O)N(c1ccccc1C)C1CCCC1	4127889	HKWUAIOYGINXAH-UHFFFAOYSA-N	217.312	3.291	0	50	BGAA	
CCCOc1cccc(C(=O)N[C@@H](C)CC)c1	10120522	NAWLUYBKCPTMHN-NSHDSACASA-N	235.327	3.004	0	50	BGAA	
C1=C(CCNCc2ccccn2)CCCC1	13718321	SYKPBPYYGXYVLW-UHFFFAOYSA-N	216.328	3.062	0	50	BGAA	
CCOc1ccc(C(=O)N[C@@H](C)C(C)(C)C)cc1	13744469	VIZFCDSUTQTZHE-NSHDSACASA-N	249.354	3.250	0	50	BGAA	
CSCc1nc(C)nn1CC1CCCCC1	95518293	DLJNGJBCTVLOKK-UHFFFAOYSA-N	239.388	3.030	0	50	BGAA	
O=C(NCc1ccccc1Cl)[C@H]1C[C@@H]1C1CC1	176431306	XBEMUUUTIKSUGA-NEPJUHHUSA-N	249.741	3.002	0	50	BGAA	
Fc1cccnc1-c1nccn1[C@@H]1C=CCCC1	1875246257	CSHGQHPXQVDHGT-LLVKDONJSA-N	243.285	3.365	0	50	BGAA	
CCCN(CCC)C(=O)[C@H](C)Oc1ccccc1	30681	SSESXHLYECUXDN-ZDUSSCGKSA-N	249.354	3.103	0	50	BGAA	
CC(=O)c1cccc(NC(=O)C2CCCCC2)c1	35839	AMKWLFXMVSRMCQ-UHFFFAOYSA-N	245.322	3.408	0	50	BGAA	
FC(F)(F)c1cc(-c2cccs2)no1	156134	TUQUPXBKYCKHTB-UHFFFAOYSA-N	219.187	3.422	0	50	BGAA	in-vitro
Cc1ccc([C@@H]2OC(=O)c3ccccc32)cc1F	170535	ZNPINNIULFRSSJ-AWEZNQCLSA-N	242.249	3.394	0	50	BGAA	biogenic
Cc1cccc(C(=O)N2CCCCCC2)c1	241026	SSWODRVIEQMLGC-UHFFFAOYSA-N	217.312	3.011	0	50	BGAA	
Cc1ccc(NC(=O)Oc2ccccn2)cc1	397025	QSIPTHVKNNZJIT-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
O=C(Nc1ccccc1Cl)NC1CCCC1	399274	NRFKVPBMGMTMTA-UHFFFAOYSA-N	238.718	3.404	0	50	BGAA	
Cn1c(NCc2cccs2)nc2ccccc21	620176	LLJKZROGDBQABM-UHFFFAOYSA-N	243.335	3.247	0	50	BGAA	
Oc1cc(Cl)c(-c2ccc(Cl)cc2)nn1	1494950	CVLPGZYFWNLWSO-UHFFFAOYSA-N	241.077	3.156	0	50	BGAA	
O=C(c1csc2c1CCCC2)N1CCCCC1	2610347	XVYNBKCSKMXDGF-UHFFFAOYSA-N	249.379	3.253	0	50	BGAA	
C[C@H]1CC2(CCN(C)CC2)Nc2ccccc21	4342689	XRLSOHOYLFSEFM-LBPRGKRZSA-N	230.355	3.070	0	50	BGAA	
CS/C(=C\[N+](=O)[O-])Nc1ccc(Cl)cc1	5211179	APLMSJFVMLWSPR-TWGQIWQCSA-N	244.703	3.191	0	50	BGAA	
CCCc1nnc(S)n1-c1ccc(CC)cc1	6391400	CCKDSDLVWBSEGT-UHFFFAOYSA-N	247.367	3.071	0	50	BGAA	
O=Cc1ccc(COc2ccccc2)cc1	12370753	JLGXYDMVIJFOKF-UHFFFAOYSA-N	212.248	3.078	0	50	BGAA	in-vitro
Cc1cc(C(=O)O)ccc1NCc1ccccc1	16577263	SSUBQOIHGIBKDK-UHFFFAOYSA-N	241.290	3.305	0	50	BGAA	
CCNC/C=C/COc1ccc(C(C)C)cc1	16623516	MJXLHZCAXHJCCD-AATRIKPKSA-N	233.355	3.355	0	50	BGAA	
CN(C(=O)c1cccc(Cl)c1)C1CCCC1	20459986	RGZCHKYPIAGAPL-UHFFFAOYSA-N	237.730	3.355	0	50	BGAA	
O=C(O)[C@H](c1ccccc1)[C@H]1C=CCCC1	34539331	LOSBWJVOKBTXJJ-QWHCGFSZSA-N	216.280	3.211	0	50	BGAA	
c1ccc2c(CC[C@@H]3CCCCN3)c[nH]c2c1	71770929	INESWDCREILNOK-ZDUSSCGKSA-N	228.339	3.243	0	50	BGAA	
Oc1ccc(C(F)(F)F)cc1C(F)(F)F	90413525	ZYIRCUJWEIIPCK-UHFFFAOYSA-N	230.107	3.430	0	50	BGAA	in-vitro
CC(=O)c1cc(F)cc(Cl)c1Cl	145733191	BGCQDRVXLBDXTP-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	
Cc1[nH]c2ccccc2c1NC(=O)C1CCC1	149517834	VYNKIRMHJYJVGS-UHFFFAOYSA-N	228.295	3.215	0	50	BGAA	
C/C=C/C=C/C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C	249234666	LZTOFYAWHJFUNN-GKGMXYFNSA-N	247.382	3.450	0	50	BGAA	
Cc1cc(O)cc(C)c1-c1cccc([C@H](C)O)n1	426621793	SAKZWLIOUUBTKI-NSHDSACASA-N	243.306	3.124	0	50	BGAA	
CC[C@@H]1CCC(=O)C[C@H]1SC(C)C	725362439	SCWZVVMBZKRWOE-MWLCHTKSSA-N	200.347	3.276	0	50	BGAA	
C=CC(=O)N[C@@H]1c2ccccc2CCC1(C)C	1776000172	JGRVQJFLRGVERL-CQSZACIVSA-N	229.323	3.002	0	50	BGAA	
CCCN(CCC)C(=O)[C@@H](C)Oc1ccccc1	30680	SSESXHLYECUXDN-CYBMUJFWSA-N	249.354	3.103	0	50	BGAA	
CC(C)C(=O)Nc1nc(-c2ccccc2)cs1	447608	WQIHELMRGBOFDC-UHFFFAOYSA-N	246.335	3.405	0	50	BGAA	
O=Cc1ccc(OCc2cccc(F)c2)cc1	450399	DNKSIIHRKWTIRH-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
O=Cc1ccccc1OCc1cccc(F)c1	453669	BSAJRFAEOQFFKC-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
OCCSc1c(Cl)cccc1Cl	2511119	YBCUJHSBMAWVHX-UHFFFAOYSA-N	223.124	3.078	0	50	BGAA	
NC1c2ccccc2C=Cc2ccccc21	3624633	HKLYXHWNPAGMMW-UHFFFAOYSA-N	207.276	3.219	0	50	BGAA	
CCCn1c(-c2ccc(F)cc2)n[nH]c1=S	6492292	SXFNMQLRSAAQCG-UHFFFAOYSA-N	237.303	3.157	0	50	BGAA	
O=Cc1cc2cccc(Cl)c2nc1Cl	11850782	LPMXEZKNTOGEMM-UHFFFAOYSA-N	226.062	3.354	0	50	BGAA	in-vitro
C[C@H]1CCc2nc3ccccc3c(C(=O)O)c2C1	19229894	ZKCKKMVBVAVEIY-VIFPVBQESA-N	241.290	3.058	0	50	BGAA	in-vitro
FC(Cl)(Cl)C(Cl)(Cl)Cl	63148461	KQKBWZDTYSQPMD-UHFFFAOYSA-N	220.285	3.458	0	50	BGAA	
COc1c(C)cccc1-c1cccc(C(=O)O)c1	65336951	VZGIVELCAURNRK-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
O=C(c1ccc2ccccc2c1)[C@H]1CCCNC1	67714521	CBWFPCWVWDBYQL-HNNXBMFYSA-N	239.318	3.022	0	50	BGAA	
CC(C)c1ccc2c(Cl)ncnc2c1	116224270	ZRBXNJFLLJEJAN-UHFFFAOYSA-N	206.676	3.407	0	50	BGAA	
Cc1cccc(C)c1NC(=O)[C@H]1CC1(C)C	158394829	VOEGLKHYJWFUJI-LLVKDONJSA-N	217.312	3.288	0	50	BGAA	
CC(C)=CCNCc1ccc(Cl)cc1	198970168	RUJYTPBNRPCEGK-UHFFFAOYSA-N	209.720	3.396	0	50	BGAA	
O=C(O)c1cc(Br)c(C2CC2)s1	217850741	MCVRPFJRNYGCKP-UHFFFAOYSA-N	247.113	3.086	0	50	BGAA	
Cc1nnc2ccc(Br)cc2c1C	950757167	CSQIYCYHJGBVOQ-UHFFFAOYSA-N	237.100	3.009	0	50	BGAA	
CC(C)(C)C1CCC2(CC1)OCCCO2	451842	DVDNSLYHRDSWHW-UHFFFAOYSA-N	212.333	3.356	0	50	BGAA	
Cc1ccc(/C=C/C(=O)NCCC(C)C)cc1	2774081	BDZCLZVZJNKHKT-CMDGGOBGSA-N	231.339	3.171	0	50	BGAA	
CCCCNCCCOc1ccccc1CC	2903164	XQGSFSIGLWMSBG-UHFFFAOYSA-N	235.371	3.408	0	50	BGAA	
N=C1c2ccccc2CN1c1ccccc1F	4116967	UJSZZLQXXQWIQS-UHFFFAOYSA-N	226.254	3.171	0	50	BGAA	
Cc1ccsc1CNc1ccc(C(=O)O)cc1	4897211	PVOPXJDFVBSJES-UHFFFAOYSA-N	247.319	3.367	0	50	BGAA	
C[C@@H](NC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2	5443968	JALGQWFCGKEOGB-GYPVXTSCSA-N	247.382	3.118	0	50	BGAA	
O=c1cc(-c2ccccc2)c2ccccc2[nH]1	8673103	QKQNVNSIRYIHDD-UHFFFAOYSA-N	221.259	3.195	0	50	BGAA	biogenic,in-vitro
Cc1ccc(C(=O)N2CCCCCC2)c(C)c1	40160744	FMUOEWLSEWTXHJ-UHFFFAOYSA-N	231.339	3.320	0	50	BGAA	
CC(C)(C)[C@H]1CCCN(Cc2ncc[nH]2)CC1	116308987	CVKGXEUHVXZXHR-LBPRGKRZSA-N	235.375	3.058	0	50	BGAA	
O=C(O)c1c(F)ccc(SCC2CC2)c1F	238853781	LACGANVRKPXJLD-UHFFFAOYSA-N	244.262	3.165	0	50	BGAA	
O=Cc1cc(Cl)c(Cl)cc1OC(F)F	263624019	MQLTYVNZIXUEQB-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
C=CC(=O)Nc1cc(N2CCCCC2)ccc1C	1875368104	PNFRZBCOCOZJOW-UHFFFAOYSA-N	244.338	3.110	0	50	BGAA	
COc1cccc(-c2ocnc2CC2CC2)c1F	2356145991	MMXXLSABRVHVNJ-UHFFFAOYSA-N	247.269	3.442	0	50	BGAA	
c1cn2c(-c3ccc4ccoc4c3)cnc2cn1	2356162781	JWYCZXIJTIIEEM-UHFFFAOYSA-N	235.246	3.143	0	50	BGAA	
Cc1ccc(C(=O)N(C)Cc2ccccc2)cc1	47650	MSWJDGFXYUCOGB-UHFFFAOYSA-N	239.318	3.267	0	50	BGAA	
O=C(Nc1nccs1)c1cc2ccccc2o1	83906	HECFXPIAZMNJCI-UHFFFAOYSA-N	244.275	3.142	0	50	BGAA	
Cc1cccc(NC(=O)c2ccco2)c1C	299732	JPTFWNJULOGLOK-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
Cc1cc2ncn(CN3CCCCC3)c2cc1C	393886	NXLGPFLTEYJESK-UHFFFAOYSA-N	243.354	3.097	0	50	BGAA	
CCCN[C@H](c1ccccc1)c1ccncc1	2485350	COECAFGALBNHGR-OAHLLOKOSA-N	226.323	3.171	0	50	BGAA	
CCOP(=O)(CCc1ccccc1)OCC	2506817	WEXGRJPJMNUCMG-UHFFFAOYSA-N	242.255	3.495	0	50	BGAA	
CC[C@@H](O)c1cccc(C(F)(F)F)c1	2508074	SZSJCUKIEPGUMF-SECBINFHSA-N	204.191	3.149	0	50	BGAA	in-vitro
Cc1ccc(C(=O)CCNc2ccc(F)cc2)o1	2873365	BESMXUDQXYLZEF-UHFFFAOYSA-N	247.269	3.412	0	50	BGAA	
Cc1cc(C)cc(OCCN2CCCCC2)c1	4989784	QQSXFVCPZULBNW-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
CCCCOc1cccc(C(=O)N[C@@H](C)CC)c1	10120514	WTOPINWXNFCLTP-LBPRGKRZSA-N	249.354	3.394	0	50	BGAA	
COc1ccccc1OC(=O)c1ccccc1C	12137948	ZCMCCUAAGJPPQT-UHFFFAOYSA-N	242.274	3.223	0	50	BGAA	
O=Cc1ccc(O[C@H]2C[C@H]2c2ccccc2)cc1	170598586	VXDMJAYTTSOTNK-HOTGVXAUSA-N	238.286	3.434	0	50	BGAA	
CCOC(=O)c1c(C)cc(Cl)cc1Cl	223856933	PXKFNTNQSXGOSP-UHFFFAOYSA-N	233.094	3.479	0	50	BGAA	
C[C@@H]1[C@@H](N[C@H](CCO)C(C)(C)C)CCC[C@H]1C	252510782	BKFITVRKDCKJJD-ZOBORPQBSA-N	241.419	3.198	0	50	BGAA	
OC1CCC2(CC1)CCN([C@@H]1C=CCCC1)CC2	336261034	IIFJCXKRPVRPDQ-CQSZACIVSA-N	249.398	3.112	0	50	BGAA	
CCN(C)C(=O)Nc1ccc2c(c1)CCC2(C)C	2325807759	QNNZLSSXNXXYDW-UHFFFAOYSA-N	246.354	3.394	0	50	BGAA	
Cc1cccc(C)c1NC(=O)NCc1ccco1	397002	WOQJJPZUKKIKBK-UHFFFAOYSA-N	244.294	3.218	0	50	BGAA	
COC(=O)c1cc2cc3ccccc3nc2s1	521548	HYPKQSDYYFWMCN-UHFFFAOYSA-N	243.287	3.236	0	50	BGAA	
Cc1cc(C(=O)NCc2ccccc2F)cs1	1054902	PLHLMRVKSPSYEK-UHFFFAOYSA-N	249.310	3.126	0	50	BGAA	
O=C(O)c1ccccc1Oc1ccc(F)cc1	2513070	WRWUSRADWXKZGV-UHFFFAOYSA-N	232.210	3.316	0	50	BGAA	in-vitro
CCCCC(=O)N(CC)C1CCCCC1	2856244	LMEFAFBBTOWPJG-UHFFFAOYSA-N	211.349	3.358	0	50	BGAA	
CC[C@H](C)NC(=O)N[C@@H]1CCCc2ccccc21	13745662	UEELWSAGBLVMTD-SMDDNHRTSA-N	246.354	3.162	0	50	BGAA	
Cc1cc(F)c(F)cc1Br	63339344	FKEURBCLFHOBDM-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
CO[C@H]1[C@]23CCC[C@]2(C3)[C@@H](OC)[C@@]23CCC[C@]12C3	247951275	LYGNJVSNKRVTCT-PLZKBRGSSA-N	248.366	3.151	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2nccn2C)cc1	426359083	PBDCKHJFCSDDLI-LLVKDONJSA-N	230.311	3.185	0	50	BGAA	
COc1cccnc1-c1cccc([C@H](C)OC)c1	426410723	PGXBHOXJVBEDED-NSHDSACASA-N	243.306	3.465	0	50	BGAA	
CC(=O)c1ccc(-c2noc(C3CCC3)n2)cc1	725273746	YZCJNAYTEDDHEW-UHFFFAOYSA-N	242.278	3.207	0	50	BGAA	
O[C@@H]1CCC[C@@H](n2ccnc2C2CCCC2)C1	1875244932	BAGMUGCUCCZVHU-CHWSQXEVSA-N	234.343	3.017	0	50	BGAA	
Cc1nc2ccccc2n1C(F)(F)C(F)F	230459	FETWCNBXEUOTMI-UHFFFAOYSA-N	232.180	3.159	0	50	BGAA	
COc1cccc(NC(=O)c2cccc(C)c2)c1	299716	CRNSBKVJTIIPFM-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CC(C)C[C@@H](C)NC(=O)Nc1ccccc1	409066	WXNHIMSDJUBEMY-LLVKDONJSA-N	220.316	3.243	0	50	BGAA	
CCCOc1ccc(C2(C(=O)O)CCCC2)cc1	2307292	MWRMMVFLULDWAC-UHFFFAOYSA-N	248.322	3.372	0	50	BGAA	
Cc1ccc(OCCNC2CCCC2)c(C)c1	4985749	AGYDOYKIELHBLE-UHFFFAOYSA-N	233.355	3.214	0	50	BGAA	
S=c1nc(/C=C/c2cccs2)cc[nH]1	12336342	OZSGRXMKFUYAAT-ONEGZZNKSA-N	220.322	3.371	0	50	BGAA	
C[C@@H](C(=O)c1ccccc1)C(F)(F)F	38416738	FFSQUPZKCFPFEM-ZETCQYMHSA-N	202.175	3.068	0	50	BGAA	
CCCCNc1ccc(N)cc1Br	43596594	BIDQZTHZKMFFNS-UHFFFAOYSA-N	243.148	3.243	0	50	BGAA	
Cc1ccc(-c2cc(N)ccn2)c2cccnc12	65370381	FCBHYJYIXQRKTL-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
CCc1ccc(CC(=O)NC(CC)CC)cc1	71385187	ANBPVAPHBLDQPV-UHFFFAOYSA-N	233.355	3.096	0	50	BGAA	
O=C(O)c1ccc(OCc2ccccc2)cc1F	71765657	HWQRXVRKZFDKLJ-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	in-vitro
COc1cncc(-c2ccc(Cl)cc2)c1	85477160	RECRWNKDCVQZCL-UHFFFAOYSA-N	219.671	3.411	0	50	BGAA	in-vitro
Cc1cc(Br)c2[nH]cc(C=O)c2c1	86036928	NDPJQPZNSDSHJM-UHFFFAOYSA-N	238.084	3.051	0	50	BGAA	
O=C(Cc1ccc(F)cc1)c1ccc(Cl)nc1	143367837	SADUKXQWHQKSEL-UHFFFAOYSA-N	249.672	3.300	0	50	BGAA	
CC(C)[C@@H](C)N(C)Cc1cc(C(C)(C)C)on1	252485352	GRXYPVGCBAXWGY-LLVKDONJSA-N	238.375	3.448	0	50	BGAA	
CCCCOc1ccc(Cl)c(F)n1	261494249	SRPMFHGSKOHFAK-UHFFFAOYSA-N	203.644	3.053	0	50	BGAA	
COc1cccc(CS[C@H]2CCCOC2)c1	267548797	BVCJPFHXODUYHM-ZDUSSCGKSA-N	238.352	3.107	0	50	BGAA	
CC(C)N1CC=C(c2ccc(Cl)nc2)CC1	374997837	KUVJQYQRNLZJEU-UHFFFAOYSA-N	236.746	3.233	0	50	BGAA	
Cc1cc(Br)cc(NC(C)(C)C)n1	888084775	QPLGPBSJLXREIF-UHFFFAOYSA-N	243.148	3.363	0	50	BGAA	
C=CC(=O)Nc1ccc([C@@H](F)C(F)(F)F)cc1	1335867140	RQQQDWQMRUTXKT-SNVBAGLBSA-N	247.191	3.384	0	50	BGAA	
CC(=O)OCC(=O)c1cc(C(C)(C)C)ccc1C	1775971119	OFPZONIINPCXBS-UHFFFAOYSA-N	248.322	3.038	0	50	BGAA	
CCN(CC)CCNc1c(C)cccc1Cl	394125	SXUAELKXXOQWCO-UHFFFAOYSA-N	240.778	3.402	0	50	BGAA	
O=C(NC1CCCCC1)OC1CCCCC1	395299	JEAXEFPTKIJYRO-UHFFFAOYSA-N	225.332	3.378	0	50	BGAA	
CCOc1ccc(NCc2cccnc2)cc1	498470	FEZSAEHQDZNYJR-UHFFFAOYSA-N	228.295	3.092	0	50	BGAA	
Nc1cccc(-c2cc3ccccc3[nH]2)c1	1663940	KMPALQUHKFNPAB-UHFFFAOYSA-N	208.264	3.417	0	50	BGAA	in-vitro
COc1cc(F)c(Br)cc1Cl	65337283	MWAMWSUDDDQCTC-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	in-vitro
Cc1cccc([C@@H](C(=O)O)C(C)(C)C)c1	258121949	PPUHCDKJMRESDE-NSHDSACASA-N	206.285	3.209	0	50	BGAA	
c1cc(-c2ccc(-c3cnco3)s2)ccn1	426612554	PGWWKCOVFXAIHT-UHFFFAOYSA-N	228.276	3.465	0	50	BGAA	
CC[C@]12C[C@@H]1CN(c1ncc(Cl)cc1F)C2	1772805792	SHMYTYSRBIYITB-PRHODGIISA-N	240.709	3.110	0	50	BGAA	
O=C(O)c1ccc(Oc2ccccc2)cc1	60939	RYAQFHLUEMJOMF-UHFFFAOYSA-N	214.220	3.177	0	50	BGAA	in-vitro
CCCC(=O)c1ccc(N2CCCC2)c(F)c1	140469	VKSFCOHWIAGNDT-UHFFFAOYSA-N	235.302	3.409	0	50	BGAA	
O=C(O)c1ccc(CCc2ccccc2)cc1	409394	ZDSJVEWVYWNEKT-UHFFFAOYSA-N	226.275	3.170	0	50	BGAA	
CC(=O)Nc1nc(-c2ccc(C)cc2C)cs1	473669	ONCLYKXAKASWPG-UHFFFAOYSA-N	246.335	3.385	0	50	BGAA	
CCN(CC)P(=O)(OC(C)C)OC(C)C	1806154	OWCAWAIGQFKRDJ-UHFFFAOYSA-N	237.280	3.286	0	50	BGAA	
NC(=O)N1c2ccccc2CCc2ccccc21	3008650	PHNLCHMJDSSPDQ-UHFFFAOYSA-N	238.290	3.002	0	50	BGAA	in-vitro
Brc1ccccc1[C@@H]1CCCCN1	3734449	BZQYYLIFPSPOKO-NSHDSACASA-N	240.144	3.264	0	50	BGAA	in-vitro
CCCCNC(=O)c1cccc2ccccc12	4144723	YSXQPIVYBHSMBS-UHFFFAOYSA-N	227.307	3.370	0	50	BGAA	
O=C(O)c1sc2sccc2c1Cl	4206511	GCQFYYGUNYJMNY-UHFFFAOYSA-N	218.686	3.314	0	50	BGAA	in-vitro
Brc1cccc(-c2cnco2)c1	4277362	GUYZQMXSOVOSIC-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
CC1=CC[C@@H]([C@]2(C)CC[C@H](O)C(C)(C)O2)CC1	5767266	WJHRAVIQWFQMKF-IPYPFGDCSA-N	238.371	3.441	0	50	BGAA	in-man
C[C@@H](CCc1ccccc1)N1C[C@@H](C)O[C@H](C)C1	23283488	SWPBYVAZDQCLRW-RRFJBIMHSA-N	247.382	3.117	0	50	BGAA	
CC[C@@H](C)NC(=O)c1ccc(Cl)cc1F	32767989	PJAFSYIZCUMIGP-SSDOTTSWSA-N	229.682	3.007	0	50	BGAA	
Oc1ccc(-c2cc(F)ccc2F)cc1F	65340841	DJGPWEIORWRIJM-UHFFFAOYSA-N	224.181	3.477	0	50	BGAA	
Nc1ccc(Cl)c(OC(F)F)c1Cl	263624658	SKFXQIVDALUOSK-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
CC1(C)CC[C@H](N2CCC[C@H](c3ncc[nH]3)C2)C1	336328044	PXEPGANQAXUEJB-STQMWFEESA-N	247.386	3.168	0	50	BGAA	
Cc1cccnc1[C@H](NC1CCCC1)C1CC1	534675366	PSQGJELPNBEGGA-OAHLLOKOSA-N	230.355	3.373	0	50	BGAA	
Oc1cccc(-c2ccc3nsnc3c2)c1	1240924833	VHCXGDOQJOYKDR-UHFFFAOYSA-N	228.276	3.064	0	50	BGAA	
O=C(/C=C/c1ccccc1)N1CCc2ccccc21	96200	KOXWNCZJMHQJNC-ZHACJKMWSA-N	249.313	3.289	0	50	BGAA	
O=C(O)Cc1ccccc1Nc1ccccc1	403523	NJFCAWNKWPIBAG-UHFFFAOYSA-N	227.263	3.057	0	50	BGAA	in-vitro
c1ccc2c(c1)COC1(CCCCC1)N2	528445	RGGVYHFOKLHTAX-UHFFFAOYSA-N	203.285	3.289	0	50	BGAA	
FC(F)(F)c1ccccc1-n1cccc1	1519660	IUMZRHODYBOXLA-UHFFFAOYSA-N	211.186	3.496	0	50	BGAA	
CCCC(=O)Nc1ccc(Br)cc1	1597260	GULFEFQSLUZFQM-UHFFFAOYSA-N	242.116	3.188	0	50	BGAA	in-vitro
Cc1ccc(C(=O)Nc2cccnc2)cc1Cl	4704984	DBDIKKQLZZQCNS-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
C[C@H](c1ccncc1)[C@@H](C)c1ccncc1	15442090	XGJXWHRUXUVTKK-TXEJJXNPSA-N	212.296	3.384	0	50	BGAA	
CCc1cc(-c2ccncc2)ccc1NC(C)=O	32598374	DSKNJKIGEAVSSB-UHFFFAOYSA-N	240.306	3.269	0	50	BGAA	
CC[C@@H](N[C@@H](C)c1ccc(C(C)C)cc1)C(=O)O	134945245	GNMIQLPRJHMTLV-SMDDNHRTSA-N	249.354	3.324	0	50	BGAA	
COC(=O)[C@@H](Cc1ccccc1)[Si](C)(C)C	169831377	JKXARWPUHZINBY-GFCCVEGCSA-N	236.387	3.111	0	50	BGAA	
Fc1cc2cnc(Cl)nc2cc1Cl	216371550	RPACVXOZRPFLGL-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	
c1cncc(-c2csc(C3CCOCC3)n2)c1	334441492	ACPVNHMYMLRCQP-UHFFFAOYSA-N	246.335	3.099	0	50	BGAA	
O=Cc1ccc(-c2ccnc(C(F)F)c2)o1	725273726	XWRPEKCVXFFGSD-UHFFFAOYSA-N	223.178	3.092	0	50	BGAA	
C=CC(=O)N1CC2(CCCC2)c2cccc(F)c21	863971506	VYKCZWFEVADSQW-UHFFFAOYSA-N	245.297	3.170	0	50	BGAA	
Cc1ccc2oc(-c3cc(N)ccc3O)nc2c1	43835	UMTJINNIPXJAGY-UHFFFAOYSA-N	240.262	3.091	0	50	BGAA	
O=C(Nc1cccc(Cl)c1F)C1CCC1	7407801	RUIDRAUMXTYRAG-UHFFFAOYSA-N	227.666	3.218	0	50	BGAA	
Clc1ncnc2cc(Br)ccc12	20358103	VLZJBXYXSWZAJQ-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
COC(=O)Cc1cccc(-c2ccccc2)c1	34432022	VKBCJIJGDJYNIP-UHFFFAOYSA-N	226.275	3.069	0	50	BGAA	
COc1cccc(-c2cccc(C(=O)O)c2)c1F	65336980	SCTCQZIYBGGKFX-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
COc1ccc2c(c1)N(C)C(C)(C)C[C@@H]2C	139075724	HWSVGAWREUYIPQ-JTQLQIEISA-N	219.328	3.417	0	50	BGAA	
Cc1oncc1-c1csc(CC(C)C)n1	170618871	BZGURGYUXYPJEC-UHFFFAOYSA-N	222.313	3.305	0	50	BGAA	
CO[C@H]1CCCN(CCCCc2ccccc2)C1	186940667	NDPRRDSCHXCLPR-INIZCTEOSA-N	247.382	3.120	0	50	BGAA	
NC1(c2cc(Cl)cc(Br)c2)CC1	238560350	VWENPVQCMDTNIK-UHFFFAOYSA-N	246.535	3.050	0	50	BGAA	
S=C(S)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	242620171	PWLXJBSAUKKGCM-FHNUBNKASA-N	228.382	3.042	0	50	BGAA	in-vitro
CC[C@@H]1CCC[C@H](NC[C@H]2CCCC[C@H]2O)C1	251692547	ILDKSLJNKXGJRY-APIJFGDWSA-N	239.403	3.096	0	50	BGAA	
CCC(=O)c1ccc(N2CCCCC2)c(F)c1	129111	UEZDGCKNECSNPS-UHFFFAOYSA-N	235.302	3.409	0	50	BGAA	
CC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1	163663	MLSSIEQFQKQUCS-LLVKDONJSA-N	220.312	3.340	0	50	BGAA	
O=C1O[C@@H](Nc2cccc(F)c2)c2ccccc21	434114	QYACWYZJDSZNBR-CYBMUJFWSA-N	243.237	3.107	0	50	BGAA	
Cc1ccccc1/C=C1/SC(=S)N=C1O	3027588	RKBFVIHBRHJYKX-RMKNXTFCSA-N	235.333	3.324	0	50	BGAA	
Cc1ccc(C(=O)c2ccc(F)cc2)cc1	5555623	SLMBDAUYJQQTRF-UHFFFAOYSA-N	214.239	3.365	0	50	BGAA	in-vitro
CCCCC(=O)Nc1ccc(C)c(F)c1	13325456	AFQKBXPHRVUVPX-UHFFFAOYSA-N	209.264	3.263	0	50	BGAA	
Cc1cc2[nH]ccc2cc1Br	14985748	VHHRJOFNSFDEHH-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
O=C(O)C[C@@H](c1ccccc1)c1ccccc1F	34928860	VXCPNMWDGXASRW-ZDUSSCGKSA-N	244.265	3.432	0	50	BGAA	in-vitro
O=C(c1c(F)cc(Cl)cc1F)C(F)(F)F	40571931	JUUNDHAGUIRDDJ-UHFFFAOYSA-N	244.546	3.363	0	50	BGAA	
FC(F)=C1CCCN(Cc2ccccc2)C1	72267115	HEMFTWBHURUPAB-UHFFFAOYSA-N	223.266	3.433	0	50	BGAA	in-vitro
Cc1cc(C)cc(OCc2ccc(C(=O)O)o2)c1	133434	BZOHCGBUYXTIKB-UHFFFAOYSA-N	246.262	3.174	0	50	BGAA	
CCN(CC)C(=O)Nc1cnc2ccccc2c1	299397	PRHJTFYVMMLJEO-UHFFFAOYSA-N	243.310	3.109	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1cccc(F)c1	373325	AGOUKVVLCRJPJP-SECBINFHSA-N	209.264	3.200	0	50	BGAA	
CCCC(=O)CC(=O)Nc1ccc(Cl)cc1	392335	YMKVAEDONFGSIB-UHFFFAOYSA-N	239.702	3.038	0	50	BGAA	
O=Cc1cccc(C(F)(F)F)c1Cl	2569253	KUNCMOAFNYLOSC-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
c1ccc(-c2ccnc(N3CCCCC3)n2)cc1	67320793	SSSVNWQDTOQWPH-UHFFFAOYSA-N	239.322	3.134	0	50	BGAA	
CCN1CCC[C@@H](c2nc3c(C)cccc3[nH]2)C1	67726466	OPHACYRMKHVFBL-GFCCVEGCSA-N	243.354	3.071	0	50	BGAA	
c1cc2c(c(-c3ccc4cc[nH]c4c3)c1)CCNC2	71753010	SBKXJDIDAMDUOJ-UHFFFAOYSA-N	248.329	3.481	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cc(F)ccc1F	75290425	GYGIJXBUYRDFKK-UHFFFAOYSA-N	229.226	3.312	0	50	BGAA	in-vitro
CN(C)C1(C(=O)c2ccccc2)CCCCC1	91646523	KQGDDRHAXWVOML-UHFFFAOYSA-N	231.339	3.134	0	50	BGAA	
Fc1cc(F)c2nc(Cl)nc(Cl)c2c1	129368968	LCLIIQVKHFIIQZ-UHFFFAOYSA-N	235.020	3.215	0	50	BGAA	
Cc1ccc(NC(=O)/C=C/c2cccs2)cn1	154794417	WSLDQTYJXOBVEY-VOTSOKGWSA-N	244.319	3.103	0	50	BGAA	
O=C(O)c1ccc(F)c(C(F)(F)F)c1Cl	168070264	DYKCBVBQAZDDST-UHFFFAOYSA-N	242.555	3.196	0	50	BGAA	
O=C1c2cc(Br)ccc2C2CC1C2	199708959	LYMCXZAAXCHSDH-UHFFFAOYSA-N	237.096	3.139	0	50	BGAA	
CCOC(=O)Cc1c(C)cc(Cl)cc1Cl	263625345	YZDRGGCMZLGBDL-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
c1cc(-c2csc(NC3CCC3)n2)ccn1	1775992299	LATBXWIWDOZIEI-UHFFFAOYSA-N	231.324	3.170	0	50	BGAA	
O=C(O)C1CCC(c2ccccc2)CC1	41049	SYYSTPDYCASVSQ-UHFFFAOYSA-N	204.269	3.045	0	50	BGAA	in-vitro
Oc1ccc(Br)c(C(F)(F)F)c1	2384140	VOWPIDJSINRFPZ-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
C1=CC=Cc2nc3ccccc3nc2C=C1	2519562	SEPNNHVDLSPXHW-UHFFFAOYSA-N	206.248	3.226	0	50	BGAA	
Cc1cccc(OCCCc2c(C)n[nH]c2C)c1	2880400	GUAIJALFOBXQRX-UHFFFAOYSA-N	244.338	3.347	0	50	BGAA	
O=C(O)c1ccc2[nH]c3ccccc3c2c1	4087458	UZRJWXGXZKPSJO-UHFFFAOYSA-N	211.220	3.019	0	50	BGAA	biogenic
CCCCC(=O)Nc1cccc(NC(=O)CC)c1	4197611	SJGTYHVOBNCJSL-UHFFFAOYSA-N	248.326	3.164	0	50	BGAA	
CC(C)N(C(=O)c1cccc(F)c1)C(C)C	5909544	UEBSDWNBRIWXBI-UHFFFAOYSA-N	223.291	3.085	0	50	BGAA	
CCc1ccc(C(=O)NC2CCCCC2)cc1	13329312	UZWIFIYAAIUTHK-UHFFFAOYSA-N	231.339	3.312	0	50	BGAA	
Cc1cc(-c2cccc3ccsc23)nc(N)n1	19740933	QOLPNUZBVRSBHU-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
O=C(O)Cc1ccc(-c2ccccc2)c(F)c1	22059388	ZLLZRKQQNGBXRD-UHFFFAOYSA-N	230.238	3.120	0	50	BGAA	in-vitro
CCCn1cc2cc(Br)ccc2n1	65337572	XJLGRBTWISXVGI-UHFFFAOYSA-N	239.116	3.209	0	50	BGAA	in-vitro
COc1ccc(OC)c2c1[C@H]1CC[C@H]2C1	100066424	AVFMKSMSBDQAAJ-IUCAKERBSA-N	204.269	3.069	0	50	BGAA	
CC(C)COc1cc(Cl)ccc1C=O	163059469	SSMISNJRBMQAIA-UHFFFAOYSA-N	212.676	3.187	0	50	BGAA	
Oc1cn(-c2ccccc2)nc1-c1ccccc1	199650548	PORMTFRAWCPMLG-UHFFFAOYSA-N	236.274	3.245	0	50	BGAA	in-vitro
Cc1nc(-c2ccccn2)nc(Cl)c1Cl	162838	VJJVPBQJWNMJFC-UHFFFAOYSA-N	240.093	3.154	0	50	BGAA	
CCCNC(=O)Nc1c(C)cccc1CC	2171966	YIVDGASJTDTCAG-UHFFFAOYSA-N	220.316	3.089	0	50	BGAA	
Cc1cccc(CNC2CCCCC2)c1	2390501	FFWZPSNFUSWMAH-UHFFFAOYSA-N	203.329	3.417	0	50	BGAA	
COc1ccc(Cl)cc1-c1csc(N)n1	2568473	AGQWSHSVUYUBQR-UHFFFAOYSA-N	240.715	3.054	0	50	BGAA	
CC(C)(C)OC(=O)NCc1cccc(Cl)c1	84725815	KNSAZQXQJCTMLU-UHFFFAOYSA-N	241.718	3.365	0	50	BGAA	
COc1cccc(-c2ccc(Cl)cn2)c1OC	534586819	AJHHRWSMWBTWIG-UHFFFAOYSA-N	249.697	3.419	0	50	BGAA	
O=C(O)c1c(-c2cccs2)noc1C1CCC1	675058175	XPKQCKGZRCIAOT-UHFFFAOYSA-N	249.291	3.369	0	50	BGAA	
Cc1cc2cc(NC(=O)[C@@H]3CC34CC4)ccc2o1	952976712	MBTLXYHQLKXUQM-LBPRGKRZSA-N	241.290	3.480	0	50	BGAA	
C[C@H](CC(=O)NC1CCCC1)c1ccccc1	73901	UBFYIRDVECNNPV-GFCCVEGCSA-N	231.339	3.239	0	50	BGAA	
c1ccc(Nc2n[nH]nc2-c2ccccc2)cc1	283524	ACLZPKMBZBHXJZ-UHFFFAOYSA-N	236.278	3.215	0	50	BGAA	
Sc1nc2cc(Cl)c3cccnc3c2o1	2879213	XKQUVVJRNSAZOZ-UHFFFAOYSA-N	236.683	3.318	0	50	BGAA	
Fc1ccc(OCCCCCn2ccnc2)cc1	2901107	HRCADLUJXNOEPD-UHFFFAOYSA-N	248.301	3.272	0	50	BGAA	
CCC(CC)C(=O)NC1CCCCCC1	2951097	UYXQKGLPVDYRGS-UHFFFAOYSA-N	211.349	3.262	0	50	BGAA	
CC[n+]1c(/C=C(/C)OC)sc2ccccc21	12341452	UHGQTUUQYDBKSJ-KTKRTIGZSA-N	234.344	3.216	0	50	BGAA	
C/C(=C\c1ccccc1)CN1C[C@H](C)O[C@H](C)C1	16662947	BZZRQIOENOHKAS-SKLCMXRPSA-N	245.366	3.199	0	50	BGAA	
Cc1cccc(CNc2ccc3[nH]ncc3c2)c1	16663282	BCDGXLPLWMEGPC-UHFFFAOYSA-N	237.306	3.483	0	50	BGAA	
CCCn1nc(C)c(Br)c1Cl	71773269	FTZBEPYEGCIQSO-UHFFFAOYSA-N	237.528	3.017	0	50	BGAA	
Fc1cccc2ncc(Br)cc12	91692905	MPVCOZUPDLYPQM-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
COC1=N[C@]2(C)C(C)=C(C)[C@]3(C)[C@]1(C)[C@@]32C	101037889	YCQKYUSVJJMVNR-AAVRWANBSA-N	219.328	3.186	0	50	BGAA	
CCCCNc1ccc([N+](=O)[O-])cc1C(C)=O	142889521	SFXLTRBWWSQEID-UHFFFAOYSA-N	236.271	3.009	0	50	BGAA	
CC[C@@H]1CCCN(Cc2cnn(C(C)C)c2)CC1	179816600	ZBTQGXAWDGPNME-CQSZACIVSA-N	249.402	3.476	0	50	BGAA	
CSc1cccc(-c2nc(C)ncc2C)c1	534642962	IIHJCVYAOXWUBR-UHFFFAOYSA-N	230.336	3.482	0	50	BGAA	
CC(C)(C)[Si](C)(C)c1c(O)cccc1F	1772572655	LDFXKQDXTTXLNG-UHFFFAOYSA-N	226.367	3.247	0	50	BGAA	
Cc1[nH]c2c(C(C)C)cccc2c1CCN	98103	BRYGVPCVLAGUHL-UHFFFAOYSA-N	216.328	3.101	0	50	BGAA	
CCOC(=O)c1cc(C2CC2)nc2ccccc12	173952	FTMBCVHYWFFDQT-UHFFFAOYSA-N	241.290	3.289	0	50	BGAA	
Cc1ccc(C(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1	1081367	JHAROMYZTGWTSG-STQMWFEESA-N	246.306	3.069	0	50	BGAA	
Nc1ccc(Cl)cc1C(=O)Nc1ccccc1	3632999	GVKLEKQYSCBIDA-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
c1cc2c(cc1OCCN1CCCCC1)CCC2	4840945	CZSQLESDLFUGMM-UHFFFAOYSA-N	245.366	3.040	0	50	BGAA	
CSc1ccc(/C=C(\Cl)[S@](C)=O)cc1	12341487	CXZFBZSTUYGFSL-DNGMOHDESA-N	246.784	3.324	0	50	BGAA	
CSc1cccc(NC(=O)Nc2ccon2)c1	13737227	CMBXDDWFGOBYHJ-UHFFFAOYSA-N	249.295	3.041	0	50	BGAA	
CC[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c(C)c1	13746236	UJXQNVODNUYTFD-QWHCGFSZSA-N	248.370	3.462	0	50	BGAA	
Nc1cc(-c2ccccc2)nn1-c1ccccc1	16478004	SXOFMEWDEKEVJU-UHFFFAOYSA-N	235.290	3.122	0	50	BGAA	biogenic
Cc1ccc(OCc2ccccc2)c(O)c1	36195052	RYGYKHQGLDQNPY-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccco2)C1	101308066	BQTUNRXWCZUNDW-XHDPSFHLSA-N	247.338	3.320	0	50	BGAA	
O=C(O)C1(c2ccc(Cl)cc2)CC(F)(F)C1	114981557	PRBZUXLWQXSUHT-UHFFFAOYSA-N	246.640	3.092	0	50	BGAA	
CCCC(CCC)C(=O)N(C)c1ccccn1	125148956	HWDZLCQRQXTGMS-UHFFFAOYSA-N	234.343	3.261	0	50	BGAA	
C[C@H]1[C@@H](C)[C@]1(Cl)[S@](=O)c1ccccc1	242463980	DRPZLGXYIYMOSV-OCYKMNHNSA-N	228.744	3.015	0	50	BGAA	
CCC[C@H](C)c1nc(C)nn1-c1cccc(C)n1	822795168	CJJGXKRNZHXQEJ-JTQLQIEISA-N	244.342	3.183	0	50	BGAA	
C[C@H](O)COc1ccccc1Cc1ccccc1	394574	LHJUTIWDMKWNPR-ZDUSSCGKSA-N	242.318	3.037	0	50	BGAA	
CC[C@H](C)NC(=O)[C@@H](C)Sc1ccccc1	450078	WLVDRMQRKPXISS-WDEREUQCSA-N	237.368	3.082	0	50	BGAA	
COc1ccc(C(=S)N2CCCCC2)cc1C	619672	NWCHRQWEMXGDQN-UHFFFAOYSA-N	249.379	3.165	0	50	BGAA	
Fc1cccc(Br)c1Cl	2525270	GTIWFNAUYPVPAT-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	in-vitro
CNC(=O)[C@@H](C)/C(C)=C(\C)C(C)=C(C)C	3121826	FKDUXRCFUCIEOA-IIANPFDCSA-N	209.333	3.061	0	50	BGAA	
Cc1cc(Cl)cc(-c2ccncc2)n1	15782000	BHNYITFVSAOLBB-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	
CCN(CCN(C)C)Cc1ccc(C(C)C)cc1	19633104	XZNDLURXXCFORH-UHFFFAOYSA-N	248.414	3.194	0	50	BGAA	
Cc1cc(C)cc(-c2cncc(C(=O)O)c2)c1	36348773	YLLORROYVZRDMN-UHFFFAOYSA-N	227.263	3.064	0	50	BGAA	in-vitro
CCOC(=O)Nc1ccc2c(c1)CCCCC2=O	44126891	YBZMZLLGJDSZGX-UHFFFAOYSA-N	247.294	3.164	0	50	BGAA	
Cc1cccc2[nH]nc(-c3ccc(O)cc3)c12	67679200	KPGOHXYOIXHNCD-UHFFFAOYSA-N	224.263	3.244	0	50	BGAA	
COc1ccc(F)c(-c2ccccc2CCN)c1	67786935	RPFLKZPOZMHUFH-UHFFFAOYSA-N	245.297	3.003	0	50	BGAA	
C[C@H]1CCNc2ccc(Br)cc21	84016851	WYQKXVFTGGGNMA-ZETCQYMHSA-N	226.117	3.368	0	50	BGAA	
CCOC(=O)Cc1cc(C)c(Cl)c(Cl)c1	263624069	NCZUUAGFHSZGJF-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
Cc1nc2ccccc2n1Cc1ccccc1	225592	UFSXKKJZEMLAJF-UHFFFAOYSA-N	222.291	3.393	0	50	BGAA	
COc1ccc(NC[C@@H]2CC=CCC2)cc1OC	757075	NYZQJRZNONTFOW-GFCCVEGCSA-N	247.338	3.472	0	50	BGAA	
Cc1c[nH]c2ccc(Br)cc12	1723987	GDQXDVJFMLNXHX-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
COc1ccc(CN[C@H]2CCCC[C@@H]2C)cc1	4891831	DZPPROGWUHIKBN-WFASDCNBSA-N	233.355	3.364	0	50	BGAA	
Cc1cc(Nc2ccc(Cl)cc2)ncn1	11902763	OQOQYNNHIFZMIR-UHFFFAOYSA-N	219.675	3.182	0	50	BGAA	
Cc1ccc2c(Cl)nc(Cl)nc2c1	26899365	BMIRNBNLOBXVPJ-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	in-vitro
O=C(O)c1cnc2ccc(Cl)cc2c1Cl	38537470	SBRJDHBAAOFDRX-UHFFFAOYSA-N	242.061	3.240	0	50	BGAA	
O=C(c1ccc(Cl)cc1F)N1CCCCC1	52537298	KRXVKDJDQLUWOC-UHFFFAOYSA-N	241.693	3.105	0	50	BGAA	
O=C(N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)C1CCCC1	247723417	BZXOABZMDMMILA-ARILJUKYSA-N	247.382	3.118	0	50	BGAA	
COc1ccc(C2(N)CCC(F)(F)CC2)cc1	255188171	IVPUFWUPNIRXEZ-UHFFFAOYSA-N	241.281	3.059	0	50	BGAA	
Oc1nccc2cc(-c3cccnc3)ccc12	426420038	IEBSURJCEOWLJM-UHFFFAOYSA-N	222.247	3.002	0	50	BGAA	
CC(C)[C@@H]1CCC(=O)C[C@@H]1OC(C)(C)C	725359558	DMILFRQBAGRILC-RYUDHWBXSA-N	212.333	3.195	0	50	BGAA	
CC[C@H](C(=O)N1CCC(C)CC1)c1ccccc1	30783	PDNOWSZGNVOOPG-HNNXBMFYSA-N	245.366	3.439	0	50	BGAA	
Cc1ccc(COc2ccc(C=O)cc2)cc1	65205	PQBHYFMKHRCUDY-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
CC(C)Oc1ccc(NC(=O)C(C)C)cc1	144389	ACIOLGDIUHDOLQ-UHFFFAOYSA-N	221.300	3.068	0	50	BGAA	
CCC(=O)Oc1cccc2ccccc12	363535	FRXPDEZCWCPLIH-UHFFFAOYSA-N	200.237	3.155	0	50	BGAA	in-vitro
COc1ccc(C(=O)c2ccccc2C)cc1	2494895	VPAQGAOJFZBBTK-UHFFFAOYSA-N	226.275	3.235	0	50	BGAA	biogenic,in-vitro
CCOC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1	2732106	MBJPATUIODMIKJ-GHMZBOCLSA-N	224.687	3.007	0	50	BGAA	
Cc1cccc(NC(=O)Nc2cc(C)ccn2)c1	6714364	ANCFAVRFWOECPR-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Clc1ccc(NC[C@@H]2CCCN2)c(Cl)c1	12404759	QLTUBMHLTQRLIG-VIFPVBQESA-N	245.153	3.157	0	50	BGAA	in-vitro
Cc1onc(-c2ccc(Cl)cc2)c1C=O	20443959	GOUFUYDURDQXKJ-UHFFFAOYSA-N	221.643	3.116	0	50	BGAA	in-vitro
CN1CC(=C(c2ccccc2)c2ccccc2)C1	71773792	BEIXIWVOQKATJH-UHFFFAOYSA-N	235.330	3.434	0	50	BGAA	
COCCSc1cccc(Br)c1	96024708	GVUBXFOZDHZWNZ-UHFFFAOYSA-N	247.157	3.188	0	50	BGAA	
Cc1ccc(NC(=O)N2CCCCCCC2)cn1	161526518	GNBGRDMKMDCNNS-UHFFFAOYSA-N	247.342	3.188	0	50	BGAA	
COc1cccc2c(Br)cncc12	220730309	DIGRTBWUIZFDSZ-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
CC[C@@H]1CC[C@H](C)N(C(=O)c2cccc(C)n2)C1	334761292	LPFIZMTVVQCUJU-QWHCGFSZSA-N	246.354	3.041	0	50	BGAA	
Cn1ccc2c(CN3C[C@H]4C[C@]4(C)C3)cccc21	1772815697	SYDVMQJWEIHUQX-CZUORRHYSA-N	240.350	3.020	0	50	BGAA	
Cc1occc1C(=O)N1CC[C@@H]1c1cccs1	1857688204	XGLUXGAUCRHYJC-LLVKDONJSA-N	247.319	3.237	0	50	BGAA	
Cc1ccc2c(C=O)c[nH]c2c1Br	1875389852	YVKNWYPJUBVYHH-UHFFFAOYSA-N	238.084	3.051	0	50	BGAA	
Cc1nc(Cl)nc(Cl)c1C(F)(F)F	1875389889	HFUJYRPWXSFLDH-UHFFFAOYSA-N	231.004	3.111	0	50	BGAA	
O=C(Nc1ccc(F)cc1)c1ccccc1F	135980	YSRSFSHRXSKXNN-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
CC(C)N(C(=O)c1ccccc1F)C(C)C	282691	APHSZFUEGIKHNY-UHFFFAOYSA-N	223.291	3.085	0	50	BGAA	
S=C(Cc1ccccc1)NC1CCCCC1	409889	ZAUYJLKLIONKDG-UHFFFAOYSA-N	233.380	3.479	0	50	BGAA	
CCC[C@@H](C(=O)c1ccc(F)cc1)N1CCCC1	13682042	BQLSUBYYRRZHRK-AWEZNQCLSA-N	249.329	3.273	0	50	BGAA	in-vivo
CC1=C[C@H](C)[C@@H](CNCC(C)C)[C@@H](C)C1	13765225	LYDDCMLXSZPXMZ-MELADBBJSA-N	209.377	3.470	0	50	BGAA	
Cc1cc(C)cc(C2(CN)CCCC2)c1	19092602	TYQXXAYOCSKPQM-UHFFFAOYSA-N	203.329	3.074	0	50	BGAA	in-vitro
COc1cccc(Oc2ccccc2C=O)c1	20079539	AOGRYADLPWDYSN-UHFFFAOYSA-N	228.247	3.300	0	50	BGAA	in-vitro
Cc1cc(N)c2cc(Cl)cc(Cl)c2n1	26440573	XEUOBWNEEOZXBH-UHFFFAOYSA-N	227.094	3.432	0	50	BGAA	in-vitro
CC(C)(C)C[C@H]1NCCc2ccccc21	32169208	FUBUVVPXPVESQM-CYBMUJFWSA-N	203.329	3.310	0	50	BGAA	
Oc1ccc(Oc2cccc(F)c2)cc1	34563029	WEOZCKPNKHGSOI-UHFFFAOYSA-N	204.200	3.324	0	50	BGAA	
O=C(O)c1ccc(C(F)(F)F)cc1Cl	34779358	DTIJZEUKFYGSEC-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	in-vitro
CCC[C@H](C)NC(=O)c1cc(C)ccc1C	42141262	BJISMIUPGUYCGS-LBPRGKRZSA-N	219.328	3.222	0	50	BGAA	
C[C@H]1CC(C)(C)Nc2c(C(=O)O)cccc21	64864327	XZQXSBCITTWAJB-QMMMGPOBSA-N	219.284	3.083	0	50	BGAA	biogenic
CCS[C@@H]1CC[C@H](NC[C@H]2CCSC2)C1	253393448	NYQRONLGECOGMV-GRYCIOLGSA-N	245.457	3.003	0	50	BGAA	
CCC1=CN(C)/C(=C/C=C2/C=CN=C2)C=C1	334159079	GFERYUDVJDMIDQ-GAVSQBHUSA-N	212.296	3.190	0	50	BGAA	
CC1(C)CC[C@@H](N2CCC[C@@H](c3ncc[nH]3)C2)C1	336328041	PXEPGANQAXUEJB-CHWSQXEVSA-N	247.386	3.168	0	50	BGAA	
O=Cc1cc(F)ccc1-c1cccc(O)c1	725269692	PLSMVZVNCULVTQ-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
CCc1nc(C)c(-c2nccn2[C@@H]2C=CCC2)[nH]1	1875244113	NBQCGYHEXRRLLD-LLVKDONJSA-N	242.326	3.035	0	50	BGAA	
COc1ccc(NC(=O)c2cccc(F)c2)cc1	338506	QQHQVSLNPRAISI-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
O=Cc1cccc(-c2ccc(F)cc2)c1	1259339	IVYDCJYMOBKHTK-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	in-vitro
C[C@@H](N)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	4159388	OOWLVAALHKQYIB-HUEPFSFMSA-N	207.361	3.330	0	50	BGAA	
CCc1ccc([C@@H](O)c2cccc(F)c2)cc1	4255768	WEGROKZPWGMYSN-OAHLLOKOSA-N	230.282	3.470	0	50	BGAA	
CCOc1cc(CN2CCCC[C@H]2C)ccc1O	4988813	QHRGMALNVRQKCQ-GFCCVEGCSA-N	249.354	3.165	0	50	BGAA	
COc1ccc(CN[C@@H]2CCC[C@H](C)C2)cc1	4989527	NFMRIHJKMQOQOC-GXTWGEPZSA-N	233.355	3.364	0	50	BGAA	
CC[C@H](Oc1ccc(C(C)C)cc1)C(=O)O	6048924	QRUIYXUMYBGOGG-LBPRGKRZSA-N	222.284	3.052	0	50	BGAA	
Cc1cccc2c(O)cc(C(F)(F)F)nc12	15923743	HLPDICBGZTVELB-UHFFFAOYSA-N	227.185	3.268	0	50	BGAA	in-vitro
Cc1nccc(-c2ccc(Cl)cc2)n1	137962124	WKKWHHMPJSUMMX-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	
Cc1nnc(SCCCCCF)n1C(C)C	252484389	FVDGRCPDERYGKD-UHFFFAOYSA-N	245.367	3.399	0	50	BGAA	
O=C(O)[C@H]1[C@H]2CC/C=C/CC/C=C\CC[C@H]21	253360456	IOZRVTUKBUOZNP-FSIUBSQLSA-N	220.312	3.400	0	50	BGAA	
C1CCCC(NC[C@H]2CC23CCOCC3)CC1	336299350	XPQQSAABUYLBJZ-CYBMUJFWSA-N	237.387	3.116	0	50	BGAA	
Cc1nc2cc(-c3cnn(C)c3C)ccc2s1	1240381288	IIFBKQRHMAQZFY-UHFFFAOYSA-N	243.335	3.314	0	50	BGAA	
C=CC(=O)Nc1cccc(C(=O)C(C)(C)C)c1	1776005964	KYKFKWQVXNWZFA-UHFFFAOYSA-N	231.295	3.040	0	50	BGAA	
Cc1cnnc(-c2cccc3cccnc23)c1C	2100534301	BZMMRQHQUCDPGE-UHFFFAOYSA-N	235.290	3.309	0	50	BGAA	
CC(C)(c1ccc(N)cc1)c1ccc(N)cc1	153244	ZYEDGEXYGKWJPB-UHFFFAOYSA-N	226.323	3.177	0	50	BGAA	biogenic,in-vitro
CCOc1ccc(/C=C/C(=O)N[C@@H](C)CC)cc1	302214	LZEXRTNIFSTXMA-OBIHZWKSSA-N	247.338	3.013	0	50	BGAA	
CN(C)C(=O)Nc1cc(Cl)ccc1Cl	395162	DOVGZPJULHERQI-UHFFFAOYSA-N	233.098	3.087	0	50	BGAA	
CC(=O)c1ccc(NC(=O)c2ccccc2)cc1	586797	ZJXQWYZBPKDYLS-UHFFFAOYSA-N	239.274	3.142	0	50	BGAA	
Clc1ccccc1OCCCN1CCCC1	2494216	CTNLCMSBWISPRM-UHFFFAOYSA-N	239.746	3.205	0	50	BGAA	
COc1ccc(-c2ccc(C=O)cc2)cc1OC	2574090	GLQPTZAAUROJMO-UHFFFAOYSA-N	242.274	3.183	0	50	BGAA	
COc1ccc(Cl)cc1[C@@H]1CCCCN1	3734603	NLOGRNGKMMVGMQ-NSHDSACASA-N	225.719	3.163	0	50	BGAA	in-vitro
Cc1ccc([C@]2(CCN)CCOC(C)(C)C2)cc1	4802688	ZDHUKANJSFIXSX-MRXNPFEDSA-N	247.382	3.171	0	50	BGAA	
Cc1ccc(NC(=O)c2c(C)coc2C)cc1	9764032	UHUYDNCAAGLZPH-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
CC(C)(C)c1ccc(C(F)(F)C(=O)O)cc1	31829525	SQCCTMODTJDWCG-UHFFFAOYSA-N	228.238	3.161	0	50	BGAA	
CCOC(=O)C[C@H](C)c1ccccc1Cl	79064251	YPZBVBOLBZNVQX-VIFPVBQESA-N	226.703	3.397	0	50	BGAA	
Clc1cccc(C2=CSC3=NCCN23)c1	102193921	ANLMHQNDORGZKM-UHFFFAOYSA-N	236.727	3.057	0	50	BGAA	
C1CC2(C1)C[C@H](N[C@@H]1CCC13CCC3)CCO2	334418653	PJSLEZLUGHZKJJ-CHWSQXEVSA-N	235.371	3.010	0	50	BGAA	
COc1ccc(-c2nncc(C)c2C)cc1Cl	2100473540	QMUIMDTXSIKEAM-UHFFFAOYSA-N	248.713	3.422	0	50	BGAA	
O=C(Nc1cccc(F)c1)c1cccc(F)c1	290687	VIVBHJXHYLJHDJ-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
O[C@@H](c1cccs1)c1nccc2ccccc12	333007	JTOLXTYEZMNSNR-AWEZNQCLSA-N	241.315	3.378	0	50	BGAA	
C[C@H](NC(=O)C1CCCC1)c1ccccc1	362584	KBHMMZUSFZDWII-NSHDSACASA-N	217.312	3.054	0	50	BGAA	
CCc1ccccc1OCCCN(CC)CC	2933126	IRXFDDHIYXAXLH-UHFFFAOYSA-N	235.371	3.360	0	50	BGAA	
c1ccc2c(C[C@@H]3CCCN3)cccc2c1	3732315	NXMHVSMJEUHOPT-AWEZNQCLSA-N	211.308	3.134	0	50	BGAA	in-vitro
O=C1c2ccccc2-c2n[nH]c(-c3ccccc3)c21	5204548	WBJSAJUPDRXEPQ-UHFFFAOYSA-N	246.269	3.288	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1cc(C)cc(C)c1	6730135	DARUBJDHPDKPDY-NSHDSACASA-N	220.316	3.223	0	50	BGAA	
O=C1OCC[C@H]1c1ccc(Cl)c(Cl)c1	12650287	GATLSWXZDMNKKO-ZETCQYMHSA-N	231.078	3.024	0	50	BGAA	in-vitro
CCc1ccccc1-c1ccc(C=O)nc1	669384849	JRQDIEAAWYAZOB-UHFFFAOYSA-N	211.264	3.124	0	50	BGAA	
Cc1cc(-c2ccc3c(c2)CCC3=O)ccc1O	1875328570	ZDZHSZDCPFHWGP-UHFFFAOYSA-N	238.286	3.497	0	50	BGAA	
CC[C@@H](C)NC(=O)[C@H](C)Sc1ccccc1	450079	WLVDRMQRKPXISS-MNOVXSKESA-N	237.368	3.082	0	50	BGAA	
O=C(O)c1ccccc1CSc1ccccn1	1425396	PNHWUGPIUDBHHQ-UHFFFAOYSA-N	245.303	3.072	0	50	BGAA	
O=C(O)c1cc(Cl)c(Cl)cc1Cl	1726278	PTFNNDHASFGWFI-UHFFFAOYSA-N	225.458	3.345	0	50	BGAA	in-vitro
CCCCCCOc1ccc(C=O)cc1OC	1771479	DYJXODUYQQLNDC-UHFFFAOYSA-N	236.311	3.467	0	50	BGAA	
Cc1nc(Cl)c2oc3ccccc3c2n1	3665053	GXGXMTZNONDUMY-UHFFFAOYSA-N	218.643	3.338	0	50	BGAA	
C[C@H](SC12CC3CC(CC(C3)C1)C2)C(=O)O	3900379	JTKRUOOICRMFSA-RERGEOBBSA-N	240.368	3.162	0	50	BGAA	
COc1ccc(CN[C@@H]2CCCC[C@H]2C)cc1	4891833	DZPPROGWUHIKBN-IUODEOHRSA-N	233.355	3.364	0	50	BGAA	
CNCCCCOc1ccc2ccccc2c1	5013357	BGNPKSJMUHXEOF-UHFFFAOYSA-N	229.323	3.218	0	50	BGAA	
C[C@H]1CCCCN1Cc1ccc(Cl)nc1	5721111	GJJRFHPCKPHDSV-JTQLQIEISA-N	224.735	3.109	0	50	BGAA	in-vitro
Cc1ccc2[nH]cc([C@H](O)C(F)(F)F)c2c1	19912143	GVUZWDIAOFAGTO-JTQLQIEISA-N	229.201	3.072	0	50	BGAA	
CCOC(=O)CCCSc1ccccc1	26480395	QWXIGGDMJJFBKQ-UHFFFAOYSA-N	224.325	3.122	0	50	BGAA	
COc1cccc(-c2cc(F)cc(C(=O)O)c2)c1	65349965	YGIKXZKHSFRBCK-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CC(=O)Nc1ccc(/C=C/c2ccccc2)cn1	65434811	SLERIAAIPYOCAC-BQYQJAHWSA-N	238.290	3.210	0	50	BGAA	
Cc1cccc(/C=C/C(=O)N2CC[C@@H](C)[C@@H]2C)c1	178158510	ZBBCQYVJFXIIDW-NCRJZKAISA-N	243.350	3.265	0	50	BGAA	
Cc1nc(C)c(C)c(N2C[C@H]3CCC[C@@H](C3)C2)n1	247980870	XDHATAGVIRQGTB-KBPBESRZSA-N	245.370	3.028	0	50	BGAA	
C[C@@H]1C[C@H]2CCCC[C@H]2N1CC1CCOCC1	253618280	HDNQYEGFDDVZLD-BPLDGKMQSA-N	237.387	3.066	0	50	BGAA	
Cc1cnnc(-c2ccc(F)cc2F)c1C	2100539511	MATHIOZCOXZPPR-UHFFFAOYSA-N	220.222	3.039	0	50	BGAA	
Cc1cc(C)[n+]2c(-c3ccccc3)csc2n1	41311	ZBHYRSZMJSZJIM-UHFFFAOYSA-N	241.339	3.166	0	50	BGAA	
Cc1nn(-c2ccccc2)c(N)c1-c1ccccc1	53798	DMKCZUXCQWLBOI-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
CC(C)c1ccc(N)c(Br)c1	159789	WEMDUNBELVTSRP-UHFFFAOYSA-N	214.106	3.155	0	50	BGAA	
C[C@@H](NC(=O)Cc1ccccc1)c1ccccc1	270447	YPFYOAJCSYWUGO-CYBMUJFWSA-N	239.318	3.107	0	50	BGAA	
COc1cccc(CNc2cccc(F)c2)c1	280279	NJRCYGNRTYZJKD-UHFFFAOYSA-N	231.270	3.446	0	50	BGAA	
Cc1ccc(OCc2ccoc2C(=O)O)cc1C	282598	JWVMSZBUUVSMRB-UHFFFAOYSA-N	246.262	3.174	0	50	BGAA	
CCCO[C@@H](C)OCCc1ccccc1	1850813	FMYCPRQGKSONCP-GFCCVEGCSA-N	208.301	3.018	0	50	BGAA	endogenous,in-man
CCCN(CCC)[C@H]1CCc2cccc(O)c2C1	3870313	ASXGJMSKWNBENU-AWEZNQCLSA-N	247.382	3.372	0	50	BGAA	biogenic,in-vitro
CCc1noc(C)c1C(=O)Nc1ccc(C)cc1	7917225	SWWYAQIYXGLEQO-UHFFFAOYSA-N	244.294	3.106	0	50	BGAA	
CC(C)(C)OC(=O)n1ccc2c(N)cccc21	14984935	OKLWIGZVXJTALB-UHFFFAOYSA-N	232.283	3.007	0	50	BGAA	in-vitro
Cc1cnc2ccc(Br)cc2c1	32099245	VLKIHAKQTRBPLC-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Cc1ccc(-c2n[nH]cc2Br)cc1	40456598	FBRBWMSEHFZTHI-UHFFFAOYSA-N	237.100	3.148	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)c1ccc(Cl)s1	82671039	HZJZSNMVKHBRTE-UHFFFAOYSA-N	218.705	3.357	0	50	BGAA	
Cc1noc(-c2csc(-c3cccs3)n2)n1	95359346	TXTQDLOOPHORNT-UHFFFAOYSA-N	249.320	3.230	0	50	BGAA	
CC1(C)CN(Cc2ccccc2)CC(C)(C)O1	117953607	YWWSXJXYWUCXDZ-UHFFFAOYSA-N	233.355	3.076	0	50	BGAA	
Oc1cc(Cl)cc(Cl)c1Br	138298292	CYIGVUYGLXFTPV-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	
CC1(C)CCOc2c(C3CC3)cc(C=O)cc21	140769798	WVJLAUYHDOVKTD-UHFFFAOYSA-N	230.307	3.437	0	50	BGAA	
CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)(O)[C@@H]1C	248343014	ZBJPVPFEDGYYBD-KBXIAJHMSA-N	240.387	3.281	0	50	BGAA	
COc1ncccc1-c1ccc(CSC)cn1	426442024	ULCRFLPRFJLTCT-UHFFFAOYSA-N	246.335	3.015	0	50	BGAA	
c1nc(CSC23CC4CC(CC(C4)C2)C3)n[nH]1	670452373	HVQDUMZMRYXDFS-UHFFFAOYSA-N	249.383	3.007	0	50	BGAA	
COc1cnccc1-c1cc(Cl)c(O)cc1C	2356154726	HPDWJZCKGFBAOS-UHFFFAOYSA-N	249.697	3.425	0	50	BGAA	
Nc1cccc(-c2nc3ccccc3o2)c1	122894	WHVJDKRJPAKQIO-UHFFFAOYSA-N	210.236	3.077	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)Nc1ccccn1	143105	RFWTUXRVMVVGMP-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
Nc1ccc2oc(-c3cccc(F)c3)nc2c1	155044	BSZCWDQTALYLKJ-UHFFFAOYSA-N	228.226	3.216	0	50	BGAA	in-vitro
CCOC(=O)c1csc(-c2cccs2)n1	168585	WACGLWUSWZXSBF-UHFFFAOYSA-N	239.321	3.048	0	50	BGAA	
Clc1ccc(Cc2ccccn2)cc1	394850	XSVWMIMFDMJQRL-UHFFFAOYSA-N	203.672	3.326	0	50	BGAA	in-vitro
CCN(CC)C(=O)Nc1cc(C)ccc1C	397290	XVLRZQKDZBBBAT-UHFFFAOYSA-N	220.316	3.177	0	50	BGAA	
O=C(NCCC1=CCCCC1)c1ccccc1F	2740093	UVCTUDVIXIAICM-UHFFFAOYSA-N	247.313	3.446	0	50	BGAA	
O=Cc1cccn1-c1cccc(C(F)(F)F)c1	3676295	IKOMWABSKKZKMK-UHFFFAOYSA-N	239.196	3.309	0	50	BGAA	
Cc1ccccc1OCCCN1CCC(C)CC1	5090987	UBMOHPPDYHFDIO-UHFFFAOYSA-N	247.382	3.496	0	50	BGAA	
Clc1ccc2oc(-c3cc[nH]n3)cc2c1	5204396	NKSXSHOHTVKMDN-UHFFFAOYSA-N	218.643	3.476	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)c2cc(C)oc2C)c1	8804225	OMWHSMMOVSNXTM-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
O=C1Nc2ccc(Cl)cc2[C@H]1Cc1ccco1	15017900	DSUISYPRZLYUMW-LLVKDONJSA-N	247.681	3.211	0	50	BGAA	
C(=C/n1nnc2ccccc21)\c1ccccc1	15768202	KPKDVQRPXRDPPT-ZHACJKMWSA-N	221.263	3.059	0	50	BGAA	
O=C1CCc2cc(Cl)c(Cl)cc21	21999884	KSTYRFWOQUWBCW-UHFFFAOYSA-N	201.052	3.122	0	50	BGAA	in-vitro
Cc1cc2c(Cl)nc(Cl)nc2s1	38252293	BTGNDWIMNVJZJY-UHFFFAOYSA-N	219.096	3.307	0	50	BGAA	in-vitro
CC(C)Oc1ccc(Br)c(F)c1	82049862	AKLUAOGEXFDAFW-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	in-vitro
CC(C)CC1(CNC(=O)C2CC=CC2)CCC1	151350381	FOVGAWKDYZDEGP-UHFFFAOYSA-N	235.371	3.285	0	50	BGAA	
Cc1n[nH]c(C)c1NC(=O)C1C[C@@H](C)C[C@H](C)C1	183342649	RAWUTGHIQABYDX-IUCAKERBSA-N	249.358	3.037	0	50	BGAA	
CCCC[C@H](C)C(=O)N1CCC(F)(F)CC1	239366982	AHDUYYVHEWOFGW-JTQLQIEISA-N	233.302	3.070	0	50	BGAA	
Cc1cc(NC(=O)[C@]23CCCC[C@H]2C3)cnc1C	893809877	VBXWOYQHKSHHPV-WFASDCNBSA-N	244.338	3.217	0	50	BGAA	
Cc1ccc(NC(=O)COc2ccccc2)cc1	59855	AHRKKUQKANKFCK-UHFFFAOYSA-N	241.290	3.013	0	50	BGAA	
Cc1nc2scc(-c3cccs3)c2c(=O)o1	313837	DGPHFMOEGCZWOK-UHFFFAOYSA-N	249.316	3.286	0	50	BGAA	
CCOc1ccc(OCC)c(Cl)c1	393853	ZIMKMIAIVORSSX-UHFFFAOYSA-N	200.665	3.137	0	50	BGAA	
CCCN(CCC)C(=O)Nc1ccccc1	395089	LHXPKFQYXZREQC-UHFFFAOYSA-N	220.316	3.341	0	50	BGAA	
CSCCC(=O)Nc1ccc(Cl)cc1	2902116	IBASQHXFWMGXFF-UHFFFAOYSA-N	229.732	3.032	0	50	BGAA	
Cc1ccc(C)c(OCCNC(C)(C)C)c1	2931978	NLSFQWLBJWFEOM-UHFFFAOYSA-N	221.344	3.070	0	50	BGAA	
O=C(Nc1cc(F)ccc1F)c1ccccc1	3016791	AKCBOTCTFIPSQA-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
CC(=O)SC(C)(C)[C@H]1CC[C@@H](C)CC1=O	6030953	AMXPURQVAMENCC-SCZZXKLOSA-N	228.357	3.050	0	50	BGAA	biogenic
Nc1ccc(Oc2ccnc(Cl)c2)c(F)c1	11919426	XWXXTHOWEMYGQC-UHFFFAOYSA-N	238.649	3.249	0	50	BGAA	
CC1(C)c2cc(O)ccc2-c2ccc(O)cc21	16697777	UKXBEJOAGBKZHH-UHFFFAOYSA-N	226.275	3.404	0	50	BGAA	
CC(C)CC[C@@H](C)N[C@H](CO)Cc1ccccc1	32513748	IRBQRYUZSPJWGP-ZBFHGGJFSA-N	249.398	3.004	0	50	BGAA	
O=C(O)C1(c2ccc(Cl)c(Cl)c2)CCC1	36948407	LKLDQXZDZVETAB-UHFFFAOYSA-N	245.105	3.500	0	50	BGAA	
O=C(O[C@H]1CCC(F)(F)C1)c1ccccc1	139754953	SFVDRZQDTHOSSY-JTQLQIEISA-N	226.222	3.031	0	50	BGAA	
Fc1cc2ncccc2cc1-c1cccnc1	1239569170	NJJKPMDLIKOQDB-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
CC(C)C(=O)Nc1ccccc1C(C)C	302162	QGHGITOPEXIFDC-UHFFFAOYSA-N	205.301	3.405	0	50	BGAA	
O=C(CSc1ccccc1)NC1CCCCC1	443691	IOZQXKIDAGBIQL-UHFFFAOYSA-N	249.379	3.228	0	50	BGAA	
CC(C)(C)c1ccc(C(=O)Nc2ccon2)cc1	1051980	DUJOIEPMPPKQTM-UHFFFAOYSA-N	244.294	3.224	0	50	BGAA	
O=C(O)CCC(=O)c1cc(Cl)cc(Cl)c1	2378657	ROOOCYZCOBZVBV-UHFFFAOYSA-N	247.077	3.041	0	50	BGAA	
Cc1cccc(-c2cnn(-c3ccccc3)c2N)c1	2508442	SXOAVNSQLUICEW-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
Cc1[nH]c2ccc(C(C)(C)C)cc2c1CCN	4127206	SMTUHKLKUIOTOF-UHFFFAOYSA-N	230.355	3.275	0	50	BGAA	
COCCn1c(CC(C)(C)C)nc2ccccc21	4809825	SHSSBXGGGCUYSE-UHFFFAOYSA-N	246.354	3.271	0	50	BGAA	
Cc1nc(-c2ccc(Cl)cc2)ccc1C(=O)O	11730391	QHJUIPSZPVNASK-UHFFFAOYSA-N	247.681	3.409	0	50	BGAA	
O=C(O)c1ccc(N2CCCCC2)cc1Cl	12336465	PUEGNVWKMCMZTI-UHFFFAOYSA-N	239.702	3.029	0	50	BGAA	
C[C@H]1C[C@@H](CC(=O)NCC2CC2)CC(C)(C)C1	170620611	XVWRPOIUPVWGRC-AAEUAGOBSA-N	237.387	3.365	0	50	BGAA	
CC(C)(C(N)=O)c1ccc(C2=CCCCC2)cc1	426598848	JVDASCQVYQZVSM-UHFFFAOYSA-N	243.350	3.407	0	50	BGAA	
CCCCS[C@H](C)C(=O)Nc1ccsn1	952883925	TUTIFCAFEWWMCX-MRVPVSSYSA-N	244.385	3.003	0	50	BGAA	
C1CCCC(NC2CSCCSC2)CC1	1506420576	JWUDUHIRQXBXPQ-UHFFFAOYSA-N	245.457	3.147	0	50	BGAA	
O=C(Nc1cccc2c1CCCC2)c1ccco1	209697	QRTHWIJOLPBNKX-UHFFFAOYSA-N	241.290	3.411	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)Nc1ccccc1	396453	RCOVLPUMQPKGSR-LLVKDONJSA-N	218.300	3.093	0	50	BGAA	
O=Cc1cccnc1Oc1ccc(Cl)cc1	2569441	CQXMTALCLMFFTL-UHFFFAOYSA-N	233.654	3.340	0	50	BGAA	
C[C@H]1CCCCN1c1ccc(Cl)cc1N	8702471	GUYKONGIFFZKQY-VIFPVBQESA-N	224.735	3.301	0	50	BGAA	in-vitro
CC[C@H](C)c1ccccc1O[C@@H](C)C(=O)O	9877275	RVCUDPXOVJSAHP-UWVGGRQHSA-N	222.284	3.052	0	50	BGAA	in-vitro
COC(=O)c1cccc(OCc2ccccc2)c1	26895876	VQEGUSMZKSIFJC-UHFFFAOYSA-N	242.274	3.052	0	50	BGAA	
C[C@@H]1C=CC[C@@H](C)N1Cc1ccccc1	44126055	MIYBQYJPXKKNPL-CHWSQXEVSA-N	201.313	3.226	0	50	BGAA	
Oc1cccc(-c2c(F)cccc2F)c1	65339970	KRYIUZXFAWLDBO-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
COc1ccc([C@@H](C)N(C)C(=O)C=C(C)C)cc1	67868673	KUSRHICXFYAZOB-GFCCVEGCSA-N	247.338	3.181	0	50	BGAA	
CSc1ccc(Br)c(S)c1	71792010	HVRVHDGYYZDEQW-UHFFFAOYSA-N	235.171	3.460	0	50	BGAA	
Cc1ccc2c(c1C)OC(C)(C)CC2=O	82380402	TYSKIVOMHFAEGK-UHFFFAOYSA-N	204.269	3.047	0	50	BGAA	
CCCc1cc(O)n(-c2ccc(Cl)cc2)n1	100072199	FHNDWJXEFZTQIL-UHFFFAOYSA-N	236.702	3.184	0	50	BGAA	
Fc1cc(Cl)cc(NCc2ccncc2)c1	124905369	PHPKLIBPWPQLAH-UHFFFAOYSA-N	236.677	3.486	0	50	BGAA	
Cc1ccc(-c2ccc(C#N)cc2)cc1N	147655700	LDCWAFBPLDFJDR-UHFFFAOYSA-N	208.264	3.116	0	50	BGAA	
O[C@@]12C[C@H]3C[C@@H](C1)[C@@H](Nc1ccccc1)[C@H](C3)C2	239174350	PVPAWNFWGQRKMU-LBYMRIICSA-N	243.350	3.038	0	50	BGAA	
C=CC(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1	1335866669	KCYDNYNWAHDKSZ-HUUCEWRRSA-N	243.350	3.357	0	50	BGAA	
COc1ccccc1NCc1cccs1	281122	JTDPUUDNRQSAGT-UHFFFAOYSA-N	219.309	3.369	0	50	BGAA	
O=C([C@H]1C[C@@H]1c1ccccc1)N1CCCCCC1	293103	IARCCLBTJJIKAZ-CABCVRRESA-N	243.350	3.193	0	50	BGAA	
O=C1CCCCCC[C@@]12O[C@@H]2c1ccccc1	336517	FSBZWAGBLYKZFO-HUUCEWRRSA-N	230.307	3.420	0	50	BGAA	
CNC(=O)Oc1ccc(Nc2ccccc2)cc1	399196	VHEWFQUKCYHBCI-UHFFFAOYSA-N	242.278	3.148	0	50	BGAA	
Cc1csc(NC(=O)CCC2CCCC2)n1	449876	ZSQYFCAJGAQLKW-UHFFFAOYSA-N	238.356	3.360	0	50	BGAA	
COC(=O)c1ccccc1-c1ccc(F)cc1	1258786	PMIPVYUBFZZBSH-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
O=C(Cc1ccc(F)cc1)c1ccc(F)cc1	2169430	NXPJZQYAGOYGTO-UHFFFAOYSA-N	232.229	3.390	0	50	BGAA	biogenic,in-vitro
O=Cc1ccc(Oc2ccc(F)cc2)cc1	2382449	YUPBWHURNLRZQL-UHFFFAOYSA-N	216.211	3.431	0	50	BGAA	in-vitro
O=C(O)c1cccc(-c2ccccc2F)c1	2574076	KJRAPRROUUCCPO-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
CC1(C)C[C@]2(C)OC(=O)N[C@@]2(C)c2ccccc21	4717353	BZTQELZAQCTKGM-GJZGRUSLSA-N	245.322	3.082	0	50	BGAA	
Cc1ccc([C@@H](O)c2ccccc2)c(C)c1	5379906	ZNEBOEANKGYAAM-HNNXBMFYSA-N	212.292	3.385	0	50	BGAA	
O[C@H]1c2ccccc2CSc2ccccc21	32221059	JLRRONOEUGUFFI-AWEZNQCLSA-N	228.316	3.374	0	50	BGAA	
CCOc1c(C)cccc1Br	40571708	IQLSXVSMMXZTRH-UHFFFAOYSA-N	215.090	3.156	0	50	BGAA	
O=C1Oc2ccc(Br)c3cccc1c23	71774368	SQFCPQAILQMKJQ-UHFFFAOYSA-N	249.063	3.135	0	50	BGAA	
CC(C)(Br)C(=O)c1cccc(F)c1	71788855	TWGPZJCAKLGOIG-UHFFFAOYSA-N	245.091	3.182	0	50	BGAA	
O=C(O)c1ccc(-c2cc(F)cc(Cl)c2)o1	123266232	FNJIJZDGBVWFID-UHFFFAOYSA-N	240.617	3.437	0	50	BGAA	
Cc1sc(N)nc1-c1c[nH]c2ccccc12	103892	AKUYDFUNKPADCA-UHFFFAOYSA-N	229.308	3.182	0	50	BGAA	biogenic,in-vitro
c1ccc(NCc2ccc3c(c2)OCO3)cc1	172191	YFPTUQPYCPKYRU-UHFFFAOYSA-N	227.263	3.027	0	50	BGAA	
O=C1c2cc(F)ccc2-c2c(F)cccc21	398860	XBKGWIVVBXZUBM-UHFFFAOYSA-N	216.186	3.176	0	50	BGAA	
CCN(CC)C(=O)c1cccc2ccccc12	1848575	SZOIQCLRXFNYCW-UHFFFAOYSA-N	227.307	3.322	0	50	BGAA	in-vitro
FC1(F)CC(Cl)(Cl)[C@]1(F)Cl	2168363	YMUQFZZNJWUHMC-SCSAIBSYSA-N	213.413	3.104	0	50	BGAA	
CCCc1ccc(C(=O)C(F)(F)F)cc1	2378557	OIHKCVMNWSBPKN-UHFFFAOYSA-N	216.202	3.384	0	50	BGAA	
FC(F)(F)c1ccc(C(F)(F)F)nc1	16677996	TWVOBLWLJDHPLH-UHFFFAOYSA-N	215.096	3.119	0	50	BGAA	
C[C@H]1CCC[C@H]1Nc1nccc(C(F)(F)F)n1	112828223	IESBHNSGZUNGLY-JGVFFNPUSA-N	245.248	3.096	0	50	BGAA	
Cc1ccc(-c2ccc(F)cc2F)nc1	146032927	COHVUSHFIAMZSW-UHFFFAOYSA-N	205.207	3.335	0	50	BGAA	
Fc1ccc(Cl)cc1O[C@H]1CCCCO1	261494525	ZSYFDGHOPIUZED-NSHDSACASA-N	230.666	3.385	0	50	BGAA	
Fc1cccc(F)c1-c1noc(C2CCC2)n1	725273721	XQWXVEULMHNMQH-UHFFFAOYSA-N	236.221	3.282	0	50	BGAA	
CC(c1ccc(O)cc1)c1ccc(O)cc1	57029	HCNHNBLSNVSJTJ-UHFFFAOYSA-N	214.264	3.250	0	50	BGAA	biogenic,in-vitro
Nc1ccc2oc(-c3ccccc3)nc2c1	123005	SUOXXPHZWVBJSY-UHFFFAOYSA-N	210.236	3.077	0	50	BGAA	in-vitro
C[C@H]1CC(C)(C)N=C(Cc2ccccc2)O1	155835	KDQDSZHGNOYQGK-NSHDSACASA-N	217.312	3.215	0	50	BGAA	
CC(=O)c1cccc(OCc2ccccc2)c1	160664	FGQMEAWGAUALJQ-UHFFFAOYSA-N	226.275	3.468	0	50	BGAA	in-vitro
Cc1ccc(SCC(=O)NC2CCCC2)cc1	443700	UBBORPGGCVJQBN-UHFFFAOYSA-N	249.379	3.146	0	50	BGAA	
CC(=O)Nc1cccc(SC(F)(F)F)c1	453319	TVXYDNRPCYCOAP-UHFFFAOYSA-N	235.230	3.257	0	50	BGAA	
CCCC(=O)N(Cc1ccccc1)C(C)C	620658	LLJFJIYDZHBKGA-UHFFFAOYSA-N	219.328	3.224	0	50	BGAA	
O=Cc1cccnc1SCc1ccccc1	4086877	UMBWHNVNGRJLHG-UHFFFAOYSA-N	229.304	3.186	0	50	BGAA	
CCNCc1c(Cl)cccc1Cl	6385331	GZZHVOMTEZNXOE-UHFFFAOYSA-N	204.100	3.103	0	50	BGAA	
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	13325793	PDMUQPUAGQKEPE-OIBJUYFYSA-N	243.228	3.300	0	50	BGAA	
Cc1ncc(Br)c2ccccc12	32253572	IXDMPRODBWENBR-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Cc1cnc(-c2ccc(C(C)(C)C)cc2)nc1N	32534882	KUJMBYBSKBRYOR-UHFFFAOYSA-N	241.338	3.332	0	50	BGAA	
COc1cccc(OC)c1Cc1ccccc1	39019780	BPNKFBPORGNMRS-UHFFFAOYSA-N	228.291	3.295	0	50	BGAA	
O=C(Nc1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2	101666274	OYBGVILRANZFNU-GMXVVIOVSA-N	215.296	3.061	0	50	BGAA	
O=C(Nc1ccccc1Cl)[C@H]1C[C@H]2C=C[C@H]1C2	120546974	RMOAMVYXYAMQJD-DCAQKATOSA-N	247.725	3.491	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N1CCC[C@H]1C1CCCCC1	242106178	WHPHWHJGNFWKNM-XBFCOCLRSA-N	235.371	3.214	0	50	BGAA	
Nc1ccc(C(F)(F)F)c(Cl)c1F	306916763	XZZNCUORKSLUOX-UHFFFAOYSA-N	213.561	3.080	0	50	BGAA	
CC(=O)Nc1cccc(C(F)F)c1Cl	334519723	KKLUNSTWOXPVGQ-UHFFFAOYSA-N	219.618	3.236	0	50	BGAA	
Cc1cc(N2CCC[C@H]2c2cccnc2)ccn1	335838605	PBQKPIUPXWMRRY-HNNXBMFYSA-N	239.322	3.127	0	50	BGAA	
Cc1cc(C)n(-c2ccc(OCC3CC3)cc2)n1	419117351	MFXDASOMFOHHBE-UHFFFAOYSA-N	242.322	3.278	0	50	BGAA	
CC(C)(F)c1ccc(Br)nc1	575433909	UZPBLOISCJTAIW-UHFFFAOYSA-N	218.069	3.049	0	50	BGAA	
C1=CC[C@H](CN[C@@H](C2CCC2)[C@@H]2CCOC2)CC1	585138013	IDFFCIKNSCTNBB-IMJJTQAJSA-N	249.398	3.138	0	50	BGAA	
COc1ccc(-c2cncn2C(C)C)cc1OC	725244974	CJZCPPISVMVDTL-UHFFFAOYSA-N	246.310	3.148	0	50	BGAA	
Brc1cc2onnc2c2ccccc12	725326533	SFOAAINUCLEOEP-UHFFFAOYSA-N	249.067	3.139	0	50	BGAA	
Cc1cc(OC(=O)c2ccco2)ccc1Cl	149034	IHRASSZZMSTZPV-UHFFFAOYSA-N	236.654	3.461	0	50	BGAA	
CCOC(=O)c1csc(-c2ccc(C)cc2)n1	168279	YJADELKTGPHXGE-UHFFFAOYSA-N	247.319	3.295	0	50	BGAA	in-vitro
C[C@@H](CC(=O)Nc1nccs1)c1ccccc1	268352	NLVYETCQEBKMAZ-JTQLQIEISA-N	246.335	3.275	0	50	BGAA	
Cc1ccc(SCC(=O)N2CCCCC2)cc1	449964	SHRAJQKNTTWFAA-UHFFFAOYSA-N	249.379	3.100	0	50	BGAA	in-vitro
Cc1occc1C(=O)N(CC(C)C)CC(C)C	475090	LSKFIVQTXLLUIP-UHFFFAOYSA-N	237.343	3.342	0	50	BGAA	
Cc1cc(OCC(=O)O)c(C(C)C)cc1Cl	1712528	MOUGPRIBEJMFGP-UHFFFAOYSA-N	242.702	3.235	0	50	BGAA	
COc1cc(F)c(Cl)cc1Br	65337452	NVSMLSKXNOHPFW-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	in-vitro
FC(F)(F)c1ccc(OCc2ncc[nH]2)cc1	146608913	JJKYEHJQLGRLQE-UHFFFAOYSA-N	242.200	3.008	0	50	BGAA	
Cc1cccc(/C=C/C(=O)N2CC[C@H](C)[C@H]2C)c1	178158520	ZBBCQYVJFXIIDW-JYASZMECSA-N	243.350	3.265	0	50	BGAA	
CC(C)/N=c1\ccccn1C(=O)C1CCCCC1	201604351	OUXZPZDVECDGOE-JQIJEIRASA-N	246.354	3.018	0	50	BGAA	
Cc1cc(C)nc(CN(C)C[C@@H]2CC=CCC2)c1	952983828	RSANZSRVPOZUMC-OAHLLOKOSA-N	244.382	3.487	0	50	BGAA	
CCN(C(=O)c1cccnc1)c1ccccc1C	29332	JFQWLJWLCRYTOK-UHFFFAOYSA-N	240.306	3.057	0	50	BGAA	
COC(OC)(c1ccccc1)c1ccccc1	397869	NYRVXYOKUZSUDA-UHFFFAOYSA-N	228.291	3.181	0	50	BGAA	biogenic,in-vitro
CCC[C@@H](C)C(=O)Nc1ccc(F)cc1F	456401	GGUFCVBFBJLYBN-MRVPVSSYSA-N	227.254	3.340	0	50	BGAA	
O=C(O)c1cc2c(Cl)c(Cl)ccc2[nH]1	2582703	STMAOBOTFAMOLD-UHFFFAOYSA-N	230.050	3.173	0	50	BGAA	in-vitro
Cc1noc(N)c1-c1cccc(C(F)(F)F)c1	3883285	RCAOVLVIOVBPIB-UHFFFAOYSA-N	242.200	3.251	0	50	BGAA	
O=C(O)c1cc2c(cc(F)c3ccccc32)[nH]1	4237888	ASYRCFYXAMRDOK-UHFFFAOYSA-N	229.210	3.158	0	50	BGAA	in-vitro
Cc1c(Cl)cccc1NC(=O)N1CCCC1	6700471	SOXBXRZPEXHWEK-UHFFFAOYSA-N	238.718	3.276	0	50	BGAA	
O=Cc1c(Cl)cc(OC(F)F)cc1Cl	263623803	KVTWKBKGARQOEB-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
C=CC(=O)N[C@@H]1CCC[C@@H](c2ccccc2)CC1	1336682500	ULUPUCGCWOYMOG-HUUCEWRRSA-N	243.350	3.405	0	50	BGAA	
O=Cc1cccn1-c1ccc(C(F)(F)F)cc1	165785	FGKJQSVGKXECDA-UHFFFAOYSA-N	239.196	3.309	0	50	BGAA	in-vitro
Cc1nnc(-c2cccc3ccccc23)o1	188641	QGJSVYJAUDIHMI-UHFFFAOYSA-N	210.236	3.198	0	50	BGAA	
CC(=O)Nc1cc(C(F)(F)F)ccc1Cl	351305	KQBBIJPLOXRSLZ-UHFFFAOYSA-N	237.608	3.317	0	50	BGAA	
O=C(CCSc1ccccc1)NC1CCCC1	443923	XTMPCNRNWDDESY-UHFFFAOYSA-N	249.379	3.228	0	50	BGAA	
CCN(CC)CCCOc1cccc(C)c1	2493473	RHFIOMSEPXMKDB-UHFFFAOYSA-N	221.344	3.106	0	50	BGAA	
CC(C)c1ccc(NC(=O)C2CC2)cc1	2780102	IXTBWGVUIVCWNR-UHFFFAOYSA-N	203.285	3.159	0	50	BGAA	
Cc1ccn2c(N)c(-c3ccc(F)cc3)nc2c1	3888343	UUEFHKAYLSLHJI-UHFFFAOYSA-N	241.269	3.031	0	50	BGAA	in-vitro
Cc1cccc(CC(=O)Nc2ccc(F)cc2)c1	6699736	CWBWVZJCIAOXTO-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
COc1ccccc1CNCC1CCCCC1	13718561	RBJONCOBVSNJEY-UHFFFAOYSA-N	233.355	3.365	0	50	BGAA	
NCCSCc1ccc(Cl)c(Cl)c1	19687280	WGBDTPPGAOCRGB-UHFFFAOYSA-N	236.167	3.185	0	50	BGAA	
c1ccc(Nc2n[nH]c3c2CCCC3)cc1	22203960	UBXMMYQNEVEWJG-UHFFFAOYSA-N	213.284	3.032	0	50	BGAA	
NC(=O)c1ccccc1-c1cccc2cnccc12	32576318	OIHBJBPDDYNXPJ-UHFFFAOYSA-N	248.285	3.001	0	50	BGAA	
O=C1CCc2cc(Cl)cc(Cl)c21	35570376	TWNXYJNWNZZECV-UHFFFAOYSA-N	201.052	3.122	0	50	BGAA	in-vitro
Cc1cc(C(=O)O)ccc1-c1ccc(F)cc1	47207119	WKJJCOVCXLJTMZ-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Brc1ccc2ncn(C3CC3)c2c1	95631254	YVEVNYLEDGYGDK-UHFFFAOYSA-N	237.100	3.134	0	50	BGAA	
Cc1[nH]ccc1C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21	246103600	BDEZQKPLTWTYKU-SCDSUCTJSA-N	246.354	3.116	0	50	BGAA	
CC[n+]1c(C)sc2c3c(ccc21)CCCC3	294939	XNOCVKPCMHOZGW-UHFFFAOYSA-N	232.372	3.396	0	50	BGAA	
Cc1oc2cc3oc(=O)cc(C)c3cc2c1C	407881	KKDGKMBVFICGHW-UHFFFAOYSA-N	228.247	3.464	0	50	BGAA	biogenic
Cc1ccc(/C=C/C(=O)N2CCC[C@@H](C)C2)cc1	474574	DKXGKVSEVIIYQL-ATWMFIQVSA-N	243.350	3.267	0	50	BGAA	
Cc1ccc(-c2nc3ccccn3c2C=O)cc1	819060	PJWGCWHPWZXGCC-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	in-vitro
c1ccc(C[n+]2ccc3ccccc3c2)cc1	967306	SKWVBQXMMPBKGW-UHFFFAOYSA-N	220.295	3.176	0	50	BGAA	biogenic
Cc1cc(C(=O)N[C@H]2CCCC[C@H]2C)cs1	1009130	NGIUCZGATOVMDM-SKDRFNHKSA-N	237.368	3.365	0	50	BGAA	
COc1cc(Cl)ccc1[C@@H]1CCCCN1	4237915	CCMUQPOROGJDHB-NSHDSACASA-N	225.719	3.163	0	50	BGAA	in-vitro
Cc1cc(C)c(NC(=O)NC(C)C)c(C)c1	4826986	WCIQCNYXSQJPKZ-UHFFFAOYSA-N	220.316	3.142	0	50	BGAA	
Cc1ccccc1CC(=O)Nc1cccc(F)c1	6726179	YKBSGZQWTTYMTL-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
Nc1cc(F)ccc1Oc1ccccc1	14629870	RMYDPTVQMJEGLG-UHFFFAOYSA-N	203.216	3.200	0	50	BGAA	in-vitro
Clc1cnnc2ccc(Br)cc12	38540443	WAKDQKOZUBTOEX-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
Cc1cc(Br)c2ncccc2c1	39392079	ONJNEQXRWAWITH-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
C[C@]1(C(=O)O)[C@H]2Cc3cccc4cccc(c34)[C@@H]21	100812147	SBNNFLCOHKDHPS-NOLJZWGESA-N	238.286	3.200	0	50	BGAA	
C[C@]1(Cc2ccccc2C(F)(F)F)CCCN1	124138497	YWGJRKLRPMNNPE-GFCCVEGCSA-N	243.272	3.390	0	50	BGAA	
O=Cc1cc(F)c(Cl)cc1Br	147257724	QGZNHVNYUSXJFU-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
Cn1cc(-c2csc(C3CCCC3)n2)cn1	153518438	FSJXYEINFLUEJK-UHFFFAOYSA-N	233.340	3.201	0	50	BGAA	
Cc1ccc(Cl)cc1CC1CCNCC1	216078674	QZDKWKWQNCCRPP-UHFFFAOYSA-N	223.747	3.191	0	50	BGAA	
Cc1cccc(C2(N[C@H]3CCSC3)CC2)c1	534585901	SMPQZTVQPHYDJI-ZDUSSCGKSA-N	233.380	3.079	0	50	BGAA	
CC(C)(C)c1ncc(-c2cc(F)ccc2CO)o1	904797137	SLRRXHBGFWGQKC-UHFFFAOYSA-N	249.285	3.271	0	50	BGAA	
Cc1ccc(C(=O)[C@@H](O)c2ccc(C)cc2)cc1	56684	NBYSFWKNMLCZLO-HNNXBMFYSA-N	240.302	3.220	0	50	BGAA	biogenic,in-vitro
Cc1ccc2c(=O)cc(C(F)F)oc2c1	62125	BFNGPUUFAPPMKG-UHFFFAOYSA-N	210.179	3.039	0	50	BGAA	
CCc1cc(C=C(Cl)Cl)oc(=O)c1C	116060	BNVIBFNEZSQZCF-UHFFFAOYSA-N	233.094	3.287	0	50	BGAA	
c1cnc2c(Cc3c[nH]c4cccnc34)c[nH]c2c1	190329	LBQCZLFGONFWKW-UHFFFAOYSA-N	248.289	3.030	0	50	BGAA	
O=C(Nc1ccccc1)C1[C@@H]2CCCC[C@@H]12	300932	VBYMQHDNZUYHLT-VXGBXAGGSA-N	215.296	3.061	0	50	BGAA	
O=C(Nc1ccccc1)[C@@H]1C[C@H]1c1ccccc1	357378	RWEUWCXPDZJTGC-LSDHHAIUSA-N	237.302	3.429	0	50	BGAA	
CCCCNC(=O)Nc1c(C)cccc1C	1640143	SYSPPBFQNQIPGH-UHFFFAOYSA-N	220.316	3.225	0	50	BGAA	
CCCCNC(=O)CCC1CCCCC1	2101081	GJJDSJHGYLQPAS-UHFFFAOYSA-N	211.349	3.263	0	50	BGAA	
CC(=O)NC(C)(C)C12CC3CC(CC(C3)C1)C2	5226452	SIHCZINPMKZWHH-UHFFFAOYSA-N	235.371	3.118	0	50	BGAA	
O=C(NC1CCCCCC1)Oc1ccccc1	16247657	AVWDQOMUGUZXQC-UHFFFAOYSA-N	233.311	3.498	0	50	BGAA	
CC(C)(C)C(=O)c1cc2ccccc2nc1N	19933067	LXXKGZMUHZNSDB-UHFFFAOYSA-N	228.295	3.046	0	50	BGAA	
Clc1cncc2sc(Br)nc12	72187489	PXIOYTIEFZXIMY-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
CO[C@H](C)c1ccc(-c2ccncc2N)cc1	96153378	CRTRZJAPLQHNNO-SNVBAGLBSA-N	228.295	3.038	0	50	BGAA	
O=C(O)C12C3c4ccccc4[C@@H]1[C@H]2c1ccccc13	104949525	UMJDXPHIAPUWGB-GYMHETDLSA-N	248.281	3.098	0	50	BGAA	
Cc1ccncc1NC(=O)[C@@H](C)c1ccccc1	123282323	KVKDYQWYDVBSMV-LBPRGKRZSA-N	240.306	3.132	0	50	BGAA	
Oc1ccccc1Oc1cccc(F)c1	168131643	ALBIMRSALGZWLE-UHFFFAOYSA-N	204.200	3.324	0	50	BGAA	
CCCCCS(=O)(=O)Cc1ccccc1C	180669895	IJTRBQSEJJTOQU-UHFFFAOYSA-N	240.368	3.100	0	50	BGAA	
Cc1cc(CN2CCC[C@H]3CCCC[C@H]32)on1	248880504	ROYVYGFTSMNKCB-TZMCWYRMSA-N	234.343	3.138	0	50	BGAA	
C[C@@H]1CCC[C@@H](NC(=O)Nc2ccccc2)C1	406693	UXGLJMTVLABYEG-DGCLKSJQSA-N	232.327	3.387	0	50	BGAA	
CC(C)(C)OC(=O)/C=C/c1ccccc1	1599114	AGKLVMVJXDFIGC-MDZDMXLPSA-N	204.269	3.042	0	50	BGAA	
CCCCCOC(=O)Nc1ccccc1	2032073	BIYXGLPPMRDUNY-UHFFFAOYSA-N	207.273	3.425	0	50	BGAA	
CCCOC(=O)Nc1ccc(Cl)cc1	2161963	FPYIZGDCCIJIMZ-UHFFFAOYSA-N	213.664	3.299	0	50	BGAA	
CC[C@H](C)c1ccc(NC(=S)NC)cc1	2884149	AWANUZFXCPEGRU-VIFPVBQESA-N	222.357	3.116	0	50	BGAA	
Cc1cccc(OCCCNC(C)(C)C)c1C	2898300	WTHSFRHVQPYNLR-UHFFFAOYSA-N	235.371	3.460	0	50	BGAA	
Fc1ccc(-c2ccc(CNC3CC3)o2)cc1	4841377	JDXJZQWAUHHTDI-UHFFFAOYSA-N	231.270	3.338	0	50	BGAA	
CC(=O)Nc1cccc(-c2ccncc2C)c1	32573370	NKFJYINAQGUBHU-UHFFFAOYSA-N	226.279	3.015	0	50	BGAA	
FC(F)(F)c1ccc2ncc(Cl)n2c1	43827903	YTENKTQBNUJPQP-UHFFFAOYSA-N	220.581	3.007	0	50	BGAA	
COc1ccc(Br)c(C(F)F)c1	47203474	RHSFDVRQELWSHQ-UHFFFAOYSA-N	237.043	3.395	0	50	BGAA	in-vitro
CC(C)(C)c1cc(Cl)nc(Cl)n1	72193231	JJSOWDBHBXDLTP-UHFFFAOYSA-N	205.088	3.081	0	50	BGAA	in-vitro
CC1=C[C@H]2CC(C)(C)[C@H]1C[C@]2(O)C1=CCCO1	104307174	QJXIYRUZCUZCTD-SLEUVZQESA-N	234.339	3.034	0	50	BGAA	
Cc1cc2c(cc1Br)CCCC2=O	201376955	FABYDNGVZLVNEH-UHFFFAOYSA-N	239.112	3.277	0	50	BGAA	
Oc1ccc(Cl)c(OCc2cccnc2)c1	261493824	KBDDWIJDYKJMMX-UHFFFAOYSA-N	235.670	3.020	0	50	BGAA	
CC1(C(=O)N[C@H]2CC23CC3)CCCCCC1	335119914	NVKUXBZPBALHEX-NSHDSACASA-N	221.344	3.016	0	50	BGAA	
CC1(C)CC[C@H](N2CCC(c3cc[nH]n3)CC2)C1	364176925	SBJSNQQCUCFZDY-ZDUSSCGKSA-N	247.386	3.168	0	50	BGAA	
Cc1ccccc1-c1nc(C2OCCO2)cs1	585120654	AUNCUMOQKUFQSJ-UHFFFAOYSA-N	247.319	3.164	0	50	BGAA	
COc1ccc(CN2CC=C[C@@H]2C(C)C)cc1F	824721355	GVLGZHVIDXSKSZ-CQSZACIVSA-N	249.329	3.231	0	50	BGAA	
Oc1cc(-c2ccc(Cl)cc2Cl)[nH]n1	129365	IMVAWTBTBLAGIP-UHFFFAOYSA-N	229.066	3.089	0	50	BGAA	
O=Cc1ccc(-c2ccccc2)cc1F	2581176	LMELGNCEEYDIED-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	in-vitro
C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cccs1	4652605	PLSHPWORDTXRNN-UZPJXDOOSA-N	249.379	3.456	0	50	BGAA	
CCCCN(C)Cc1nc2ccccc2n1CC	4810344	PXBKTGJWTRZFOW-UHFFFAOYSA-N	245.370	3.288	0	50	BGAA	
Fc1ccccc1OCCCCCn1ccnc1	5387551	CTJGSKUPZDDRAU-UHFFFAOYSA-N	248.301	3.272	0	50	BGAA	
CC/C=C\CCOC(=O)Cc1ccccc1	12153042	FJKFIIYSBXHBCT-ARJAWSKDSA-N	218.296	3.129	0	50	BGAA	endogenous,in-man
COCc1cccc(NC(=O)c2cccs2)c1	25334898	MWGZOTJQQHRZIX-UHFFFAOYSA-N	247.319	3.147	0	50	BGAA	
COc1ccc(F)c(-c2cccc(C)n2)c1	65436356	AQZKHSSNXMAMTH-UHFFFAOYSA-N	217.243	3.205	0	50	BGAA	
Cc1ccc2c(c1)[C@@H](Cc1ccccc1)C(=O)N2	101016053	ULGWCINFMRHPTH-CQSZACIVSA-N	237.302	3.273	0	50	BGAA	
Brc1ccc2[nH]c3ncccc3c2c1	114365201	XCNVELJEUIETFR-UHFFFAOYSA-N	247.095	3.479	0	50	BGAA	
Cc1ccc(-c2ccc(C#N)s2)cc1N	147617563	UFKHVWMLKUHOEO-UHFFFAOYSA-N	214.293	3.177	0	50	BGAA	
Cc1ccc([C@@H](C)CC[C@H](O)C(C)(C)O)cc1	214550586	BHAUXXMLNYMKFX-JSGCOSHPSA-N	236.355	3.011	0	50	BGAA	biogenic
CC1=NO[C@@H](CN[C@H](c2ccccc2)C(C)C)C1	1616178102	WIXBVZYZYMUIOZ-CABCVRRESA-N	246.354	3.138	0	50	BGAA	
C[C@@H]1CCC[C@@H](C)N1C(=O)Nc1ccccc1	237335	AIGYUJJIEHGDPO-VXGBXAGGSA-N	232.327	3.481	0	50	BGAA	
O=C(O)CSc1ccc2ccccc2c1	288839	VMZMOCBDKZHRGU-UHFFFAOYSA-N	218.277	3.017	0	50	BGAA	
Fc1cc(Cl)ccc1Br	403507	FPNVMCMDWZNTEU-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	in-vitro
OCCSc1ccc(Cl)c(Cl)c1	2511120	BWRURDYHPUVXMI-UHFFFAOYSA-N	223.124	3.078	0	50	BGAA	
Cc1ccc(Br)c2cccnc12	2534104	REIFWJGDIKRUSB-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Fc1ccc(OCCCCN2CCCC2)cc1	2902673	LXTKAXPZXFIXLK-UHFFFAOYSA-N	237.318	3.081	0	50	BGAA	
Cc1ccc(C(=O)c2ccc(N)cc2)cc1C	3160449	YDKUTIXKMCAGFZ-UHFFFAOYSA-N	225.291	3.117	0	50	BGAA	in-vitro
CN(C)CCCNc1cccc2ccccc12	5317545	UXKSOKMNCZEVNT-UHFFFAOYSA-N	228.339	3.203	0	50	BGAA	
CC[C@@H](C)Oc1ccc(C=O)cc1Cl	5655297	ZOTLCXPBMHFBEX-MRVPVSSYSA-N	212.676	3.330	0	50	BGAA	in-vitro
OCc1ccc(Oc2ccc(F)cc2)cc1	20435385	CDHGTLMRIKSFII-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	
CC[C@H](C(=O)c1ccccc1)N1CCCCC1	37333054	VFLPICJWFQLLSY-CQSZACIVSA-N	231.339	3.134	0	50	BGAA	in-vitro
FC(F)(F)[C@](F)(Cl)C(F)(F)Cl	64220314	JSEUKVSKOHVLOV-SFOWXEAESA-N	220.927	3.285	0	50	BGAA	
COc1ccc(-c2ccc(O)cc2)cc1F	65340007	WYGGNBCHXPPDRF-UHFFFAOYSA-N	218.227	3.207	0	50	BGAA	in-vitro
Cc1cc(F)c(Br)cc1F	71790014	DZTNEQVEYQORQO-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
CC[C@@H](C(=O)c1cccc(C)c1)N1CCCC1	97758820	GHUHXBRSGNJMFC-AWEZNQCLSA-N	231.339	3.052	0	50	BGAA	in-vitro
Oc1cncc(-c2cncc3ccccc23)c1	116930452	VBPLNRFBCORCHH-UHFFFAOYSA-N	222.247	3.002	0	50	BGAA	
CC(=O)CCc1c(F)cc(Cl)cc1F	306145210	LBOOSJMPRCPJFS-UHFFFAOYSA-N	218.630	3.140	0	50	BGAA	
Cc1ccc(NC(=O)NCc2ccccc2)cc1	396599	SERDZBSDZPDVOC-UHFFFAOYSA-N	240.306	3.317	0	50	BGAA	
CC(C)Oc1ccc(Br)cc1	397475	MPAOOLLBWUEXOM-UHFFFAOYSA-N	215.090	3.236	0	50	BGAA	in-vitro
COC(=O)c1ccc(-c2ccc(C)cc2)cc1	1259715	NSUWJKRQGXBISO-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	
CCC(=O)c1cc(F)cc(C(F)(F)F)c1	2169768	KEAIAOPGXGEINJ-UHFFFAOYSA-N	220.165	3.437	0	50	BGAA	in-vitro
CCCCCCOc1ccc(CC(=O)O)cc1	2382979	NPDQZDCDWUBCQK-UHFFFAOYSA-N	236.311	3.273	0	50	BGAA	
Cc1ccc(-c2ccc(O)c(C(=O)O)c2)cc1	2565437	JLOYUQAJKMNTAU-UHFFFAOYSA-N	228.247	3.066	0	50	BGAA	biogenic
CCc1ccccc1-[n+]1c(C)cc(C)cc1C	5667838	ITOZPMXLGQRZRQ-UHFFFAOYSA-N	226.343	3.451	0	50	BGAA	
Cc1ccc(O)c(-c2cc(C(F)(F)F)[nH]n2)c1	13126897	RLOJAFTZOANIHB-UHFFFAOYSA-N	242.200	3.110	0	50	BGAA	
Cc1cc(C(=O)C2CC2)ccc1Br	49829488	XJPNKCPSLVJPCM-UHFFFAOYSA-N	239.112	3.350	0	50	BGAA	in-vitro
CC(C)n1ccnc1-c1ccnc2c1ccn2C	72152977	ASDVEDFCQGVDOD-UHFFFAOYSA-N	240.310	3.018	0	50	BGAA	
CN[C@@H](COc1cc(C)ccc1Cl)C1CC1	95627551	SEYJUTCWTVEJBD-LBPRGKRZSA-N	239.746	3.025	0	50	BGAA	
O=C(O)/C=C/c1cc(F)cc(Cl)c1Cl	263624761	TZBCXUKHOMDAPJ-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
CCc1nc(-c2ccc(N(C)C)nc2)ccc1C	426442664	OEDJXVMEVZJBDP-UHFFFAOYSA-N	241.338	3.080	0	50	BGAA	
CCCCn1nc(CC)nc1-c1ccncc1C	822888704	HDDOPPRMYIICHR-UHFFFAOYSA-N	244.342	3.011	0	50	BGAA	
CCN(CC)c1ccc2cccc(O)c2c1	396456	NZNXJWJEFXUPFC-UHFFFAOYSA-N	215.296	3.392	0	50	BGAA	
CCC(CC)C(=O)N[C@@H](C)c1ccccc1	441723	DAMULJWICALWNG-NSHDSACASA-N	219.328	3.300	0	50	BGAA	
Fc1cccc(NCc2cn3ccccc3n2)c1	809964	GVMHVUWEQLFKAJ-UHFFFAOYSA-N	241.269	3.086	0	50	BGAA	
Cc1ccc(Oc2cccc(C(=O)O)c2)cc1	1606101	JDFNHFHOMMSCEZ-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	
N=S(=O)(c1ccccc1)c1ccccc1	1692952	KNPJTNDEHOFWKA-UHFFFAOYSA-N	217.293	3.151	0	50	BGAA	
Cc1nc(-c2ccccc2)cc(N2CCCC2)n1	2493748	FEUOBXBJCRTTHB-UHFFFAOYSA-N	239.322	3.052	0	50	BGAA	
Nc1ccccc1-c1ccc(F)c(F)c1	14628989	HFHHGKVFBPGNTR-UHFFFAOYSA-N	205.207	3.214	0	50	BGAA	in-vitro
CC(C)(C)N(Cc1ccsc1)Cc1ncc[nH]1	65387893	QVLDDNSAFKECMW-UHFFFAOYSA-N	249.383	3.272	0	50	BGAA	
Cn1nccc1-c1cccc(Cl)c1Cl	83050518	DNJMWJNTCIFSDW-UHFFFAOYSA-N	227.094	3.394	0	50	BGAA	
c1ccc([C@H]2CCCC[C@@]23CCCN3)cc1	96027438	UOVPTGPDKNPQRJ-HUUCEWRRSA-N	215.340	3.466	0	50	BGAA	
CO[C@H](C)c1cccc(Br)c1	169140687	ZKSUFDOUHNDHQO-SSDOTTSWSA-N	215.090	3.157	0	50	BGAA	
Cc1cc(Br)cc2c1CCCC2=O	238463028	XYMHMSDGNPBBLE-UHFFFAOYSA-N	239.112	3.277	0	50	BGAA	
CC[C@H](C)NC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	248209018	CGHJVCYKLPPAAV-NTZNESFSSA-N	249.354	3.250	0	50	BGAA	
CN(C)C(=O)c1cccc(-c2ccccc2F)c1	1239553606	QNMVDUODZSHVQX-UHFFFAOYSA-N	243.281	3.195	0	50	BGAA	
O=C1CCc2ccccc2CN1CCCCCF	2356149200	PBWIADRNXJTYSE-UHFFFAOYSA-N	249.329	3.101	0	50	BGAA	
O=C(Nc1ccc(F)cc1)NC1CCCCC1	246942	AFUBYKNBJKFZMM-UHFFFAOYSA-N	236.290	3.280	0	50	BGAA	
O=c1oc2ccccc2cc1-c1ccccc1O	335905	NUUIKHRXHNLMQK-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	
Cc1ccc(C(=O)NCCC(C)C)cc1C	477597	LWPNVUIGPCLZPT-UHFFFAOYSA-N	219.328	3.079	0	50	BGAA	
CC(=O)c1cccc(-c2cccc(N)c2)c1	2528958	OQQHGSYXTXZRRX-UHFFFAOYSA-N	211.264	3.138	0	50	BGAA	
CNCc1ccccc1Oc1ccccc1	2576558	IMIUMEQDSKHKST-UHFFFAOYSA-N	213.280	3.198	0	50	BGAA	in-vitro
CC(C)(C)[C@@H]1C[C@H](O)[C@H](C(C)(C)C)CC1=O	4087033	MYTXIWKHHYPWKB-MXWKQRLJSA-N	226.360	3.035	0	50	BGAA	
CCn1c(-c2c[nH]c3ccccc23)n[nH]c1=S	18096378	WBXKXVACIHNWJX-UHFFFAOYSA-N	244.323	3.109	0	50	BGAA	
CCCCCc1ccccc1C(=O)OC	38866937	PUSRRKATJVGOCZ-UHFFFAOYSA-N	206.285	3.206	0	50	BGAA	
C1=CCC23CC=CCC2(C1)CC1(C3)OCCO1	45070908	VMIYLTXNFLRYMX-UHFFFAOYSA-N	232.323	3.196	0	50	BGAA	
O=C(CCc1ccccc1F)NC1CCCCC1	47220134	AUICVDUIKDWCNM-UHFFFAOYSA-N	249.329	3.207	0	50	BGAA	
c1ccc([C@@H]2CCCC[C@]23CCCN3)cc1	96027439	UOVPTGPDKNPQRJ-GJZGRUSLSA-N	215.340	3.466	0	50	BGAA	
Cc1ccc(-c2nc3cc(C)ccc3n2C)nc1	122969671	RYXAGODAJOKMAN-UHFFFAOYSA-N	237.306	3.252	0	50	BGAA	
C[C@@H](CO)N[C@H]1CCCC[C@@H]1C1=CCCCC1	127560637	DWZCEGNIGTVBDP-CFVMTHIKSA-N	237.387	3.016	0	50	BGAA	
CC(=O)c1ccc(OCc2ccccc2)cc1	122583	MKYMYZJJFMPDOA-UHFFFAOYSA-N	226.275	3.468	0	50	BGAA	
CCOc1ccc2nc(SC)nc(C)c2c1	261054	BLTIPYIYBIMYCL-UHFFFAOYSA-N	234.324	3.059	0	50	BGAA	
CC(C)(C)c1ccc(-c2nnc(N)s2)cc1	322751	WEVOCASZWAUYHD-UHFFFAOYSA-N	233.340	3.085	0	50	BGAA	in-vitro
Brc1cccc(N2CCCC2)c1	2526732	SKCNYQBWULWGAP-UHFFFAOYSA-N	226.117	3.049	0	50	BGAA	in-vitro
CCCCc1ccc2[nH]c(C)c(CCN)c2c1	2545694	ZGJIJGUYYAFIQK-UHFFFAOYSA-N	230.355	3.320	0	50	BGAA	in-vitro
Cc1ccc(COc2ccc(CO)cc2)cc1	4283644	NERFNHBZJXXFGY-UHFFFAOYSA-N	228.291	3.066	0	50	BGAA	in-vitro
O[C@H](c1cccc(F)c1)c1cc(F)cc(F)c1	4290152	OUUBIKXMNXKTRP-CYBMUJFWSA-N	238.208	3.186	0	50	BGAA	
COc1ccccc1/C=C\c1cccnc1	4531792	GIKFPWZEBQPOTQ-HJWRWDBZSA-N	211.264	3.261	0	50	BGAA	
CCn1c(CN2CCCCC2)nc2ccccc21	4810377	PNYZMOWRJFSMJT-UHFFFAOYSA-N	243.354	3.042	0	50	BGAA	
COc1ccc(COc2cccc(C=O)c2)cc1	9237548	HWELTAFCGOYYBE-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	
CC/C=C\CCOC(=O)c1ccccc1	12402005	BCOXBEHFBZOJJZ-ARJAWSKDSA-N	204.269	3.200	0	50	BGAA	endogenous,in-man
COC(=O)/C=C/c1ccc(Cl)cc1Cl	33822664	RVBQSTISRBKZTG-HWKANZROSA-N	231.078	3.180	0	50	BGAA	
CCCc1cnc(-c2ccc(OC)cc2C)nc1	67856203	UQXGLZZCUOELHW-UHFFFAOYSA-N	242.322	3.413	0	50	BGAA	
O=C(O)[C@H]1CCCCC[C@H]1C(=O)c1ccccc1	71785716	CKCUCVOXCZSVNA-OLZOCXBDSA-N	246.306	3.150	0	50	BGAA	
CCc1nc(Cl)sc1Br	74934303	NGHSYJZHLYPHNX-UHFFFAOYSA-N	226.526	3.121	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)c1c(Cl)ccnc1Cl	145498523	DFYHULXZXQOJEP-UHFFFAOYSA-N	248.109	3.344	0	50	BGAA	
c1cc2cn[nH]c2cc1N[C@@H]1C[C@H]2CC[C@H]1C2	250194100	LZAYLGSOPOTJMC-OUJBWJOFSA-N	227.311	3.163	0	50	BGAA	
Cc1ccc2ncnc(NC3CC(F)(F)C3)c2c1	277257855	WKMNLMRRHZFULS-UHFFFAOYSA-N	249.264	3.148	0	50	BGAA	
O=C1N[C@@H]2CCCC[C@@H]2[C@H](c2ccccc2)O1	526056120	ZAXBYSHUGAPOFR-XQQFMLRXSA-N	231.295	3.026	0	50	BGAA	
NCc1ccc(Cl)c(SC(F)(F)F)c1	1857783740	ZSYZWMRMAKPRST-UHFFFAOYSA-N	241.665	3.411	0	50	BGAA	
CCN(CC)CCOc1ccc(Cl)c(C)c1	244718	STYIEKIYERBNHM-UHFFFAOYSA-N	241.762	3.369	0	50	BGAA	
O=C(NCC1CCCCC1)Nc1ccccc1	388964	RNPNQEFRIDREDZ-UHFFFAOYSA-N	232.327	3.388	0	50	BGAA	
CC[C@@H](C)Cn1c(C)nc2ccccc21	608791	RVDUEUQZKRGART-SNVBAGLBSA-N	202.301	3.391	0	50	BGAA	
CC(C)CC(=O)NCCC1=CCCCC1	4894113	PSQVEBHNNKWXGG-UHFFFAOYSA-N	209.333	3.039	0	50	BGAA	
Cc1cc(Nc2ccc(C)c(Cl)c2)ncn1	11902765	ZHYOOCAPMSKFGM-UHFFFAOYSA-N	233.702	3.490	0	50	BGAA	
Clc1ccc(Br)c(Cl)n1	12359489	PZHASTRIYXMWKM-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
Cc1cccc2[nH]c(COc3ccccc3)nc12	15833441	JRXCIODJFWKQNG-UHFFFAOYSA-N	238.290	3.450	0	50	BGAA	
CN(Cc1ccccc1)Cc1cccnc1Cl	52709020	XNOWFLCGMUUJMG-UHFFFAOYSA-N	246.741	3.367	0	50	BGAA	
FC(F)(F)/C=C(\Br)C(F)(F)F	63457952	KSWYRKGFPCBMHX-UPHRSURJSA-N	242.944	3.390	0	50	BGAA	
CCc1cnc(-c2ccc(Cl)s2)nc1	67697146	QIFBONQTDHALCG-UHFFFAOYSA-N	224.716	3.421	0	50	BGAA	
CN(C)C(=O)Oc1cc(Cl)ccc1Cl	71774122	MLYZYRLZUHWMCA-UHFFFAOYSA-N	234.082	3.054	0	50	BGAA	
CC(C)c1nccn1CCCCc1ccccn1	72152313	HITGFCAQBRHGFX-UHFFFAOYSA-N	243.354	3.424	0	50	BGAA	
Cc1ccc2c(c1)-c1sc(C(=O)O)cc1CO2	114979537	UPPKQVVRCXNMAP-UHFFFAOYSA-N	246.287	3.314	0	50	BGAA	
CC(C)c1ncc(CN(C)CC2CCCC2)cn1	440457995	FYOINHLFWMZBIZ-UHFFFAOYSA-N	247.386	3.222	0	50	BGAA	
COc1cccc2c1NC(C)(C)C[C@H]2C	33778	VRGWTUYPGVAHGX-SECBINFHSA-N	205.301	3.393	0	50	BGAA	
c1csc(CNCc2cccs2)c1	128023	RPLOKUQDTWODSZ-UHFFFAOYSA-N	209.339	3.099	0	50	BGAA	in-vitro
CC[n+]1cccc(-c2nc3ccccc3s2)c1	237953	FYSNYJGPIDUYHL-UHFFFAOYSA-N	241.339	3.271	0	50	BGAA	
Nc1nc2ccc3ccccc3c2s1	366319	LYVQRUORYRZNMM-UHFFFAOYSA-N	200.266	3.032	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)N1CCCCC1	396686	BTBNZCCPHWAHGE-UHFFFAOYSA-N	218.300	3.013	0	50	BGAA	
Cc1ccccc1C(=O)N[C@@H]1CCC[C@@H](C)C1	406459	VRNVLOAFVPQDRX-DGCLKSJQSA-N	231.339	3.304	0	50	BGAA	
Cc1sc2ccccc2[n+]1CC(C)C	407621	DEIVBCAOPKPIFX-UHFFFAOYSA-N	206.334	3.153	0	50	BGAA	
C[C@@H](COc1ccc2ccccc2c1)N(C)C	2518819	KIXZRSGSEUGRLJ-LBPRGKRZSA-N	229.323	3.169	0	50	BGAA	
FC(F)[C@@H]1C[C@@H](c2ccccc2)Nc2ccnn21	2782640	RELKPDKPDFACSX-QWRGUYRKSA-N	249.264	3.246	0	50	BGAA	
CC(C)(C)c1ccc(C[C@@H]2CCCN2)cc1	4237817	OUJRIDWDESNLOR-AWEZNQCLSA-N	217.356	3.279	0	50	BGAA	in-vitro
Cc1ccc(F)cc1NC(=O)Cc1cccs1	4841902	WJGPJMYEEAPBBB-UHFFFAOYSA-N	249.310	3.377	0	50	BGAA	
CCc1ccc(OCCN2CCC[C@@H](C)C2)cc1	4906847	DZRINMOKKFJMJP-CQSZACIVSA-N	247.382	3.360	0	50	BGAA	
Oc1ccc(-c2cc(F)cc(F)c2)cc1	27205754	DZFYHZOKUQKDFS-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
c1csc(-c2ccnc(N3CCCCC3)n2)c1	67320818	DVXBXQSJJDFNLZ-UHFFFAOYSA-N	245.351	3.195	0	50	BGAA	
O=C1Nc2ccccc2[C@@H]1Cc1ccsc1	101016675	AITFTDVVQJMREL-NSHDSACASA-N	229.304	3.027	0	50	BGAA	
CCc1cc(NC(=O)Cc2ccoc2)ccc1C	131570299	SPXFUNBBYIXZHY-UHFFFAOYSA-N	243.306	3.332	0	50	BGAA	
O=C(NCc1cc2ccccc2o1)C1CC=CC1	172550121	HWHWEOXFCKOCNB-UHFFFAOYSA-N	241.290	3.015	0	50	BGAA	
CC(C)COc1ncc(Cl)cc1Cl	261493749	ILZCVHKPHLJTTB-UHFFFAOYSA-N	220.099	3.423	0	50	BGAA	
Cc1cc(Cl)c(/C=C/C(=O)O)cc1Cl	263623002	CUHLMIPLEUQKEF-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
CCOC(=O)Cc1cc(Cl)cc(C)c1Cl	263623265	GAWNLQRFSTYQKT-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
CC(C)n1ncnc1-c1cccc(Cl)c1F	426409323	MRDRNEMFMMRFEI-UHFFFAOYSA-N	239.681	3.319	0	50	BGAA	
NC(=O)C1(CC2CCCCC2)CCCCC1	1875343851	WSINKNZJVSOJGW-UHFFFAOYSA-N	223.360	3.393	0	50	BGAA	
N=C1c2ccccc2C(=O)[C@@H]1c1ccccc1	140906	SSNSXBMTVMEFKG-CYBMUJFWSA-N	221.259	3.035	0	50	BGAA	
CC(C)c1ccnc([C@](C)(O)c2ccccc2)c1	15781514	YDMFBXUOKANVOV-MRXNPFEDSA-N	241.334	3.461	0	50	BGAA	
CCCOc1cccc(C(=O)N2CCCCC2)c1	16580388	FWANZOLHGRJQMH-UHFFFAOYSA-N	247.338	3.102	0	50	BGAA	
COC(=O)c1cc(Cl)c2c(C)ccc(C)c2n1	21985650	ZZZZIDLGBNSAPW-UHFFFAOYSA-N	249.697	3.292	0	50	BGAA	
C[C@@H](CCCC(C)(C)O)CCN[C@@H](C)C1CC1	32587204	ADFYMADYTXJRQE-STQMWFEESA-N	241.419	3.342	0	50	BGAA	
CC(=O)Nc1cc(Cl)ccc1Br	38537639	VSYFNGALGIVDKP-UHFFFAOYSA-N	248.507	3.061	0	50	BGAA	
CCC12C[C@@H]3C[C@H](C1)CC(OCCCO)(C3)C2	65336752	GXKSHEYJWHDGDJ-DGKWVBSXSA-N	238.371	3.134	0	50	BGAA	
Cc1ccc(-c2cc(F)cc(C(=O)O)c2)cc1	65349488	XDZUYMRUEWJEPR-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
COC(=O)c1cc(F)cc(-c2ccccc2F)c1	97757223	OMJULWPGLVWTKF-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CC(C)(C)OC(=O)N1CCC[C@H]1[Si](C)(C)C	169989433	HJGAXMDEXCEYGL-SNVBAGLBSA-N	243.423	3.263	0	50	BGAA	
CCc1cc(NCc2ccncc2)ccc1F	352926568	WEPDCPNHZXAYLL-UHFFFAOYSA-N	230.286	3.395	0	50	BGAA	
CCC1(CC)CN(Cc2ccsc2)CCO1	670448989	LVJVHFHVOQPDMJ-UHFFFAOYSA-N	239.384	3.139	0	50	BGAA	
C[C@@H](NC(=O)NC1CCCCC1)C(C)(C)C	388982	OLPJSBFBGOXCEH-SNVBAGLBSA-N	226.364	3.053	0	50	BGAA	
CCC(=O)[C@@H](CC)c1ccc(OC)cc1OC	393635	MFEDPAWDBIPBCL-NSHDSACASA-N	236.311	3.177	0	50	BGAA	
O[C@@H](CCc1ccccc1)c1ccccc1	1695504	YVRQODFKFKHCPI-HNNXBMFYSA-N	212.292	3.353	0	50	BGAA	biogenic,in-vitro
CCCNC(=O)Nc1cccc2ccccc12	2170725	HMZYFFODLAXNRS-UHFFFAOYSA-N	228.295	3.371	0	50	BGAA	
CCC[C@H](C)n1nc(O)c2c(C)cc(C)nc21	4197024	IQDLJPXMBFQARP-JTQLQIEISA-N	233.315	3.115	0	50	BGAA	
CC(C)CC(=O)OC/C=C\c1ccccc1	14652292	FOCMOGKCPPTERB-TWGQIWQCSA-N	218.296	3.289	0	50	BGAA	endogenous,in-man
CCN(CC)CCNc1cccc(C)c1C	20055842	VGYTWFHHFGGHPC-UHFFFAOYSA-N	220.360	3.057	0	50	BGAA	
c1ccc2sc(CCNC3CCCC3)nc2c1	20128064	FOWKMXMLLHNBFJ-UHFFFAOYSA-N	246.379	3.371	0	50	BGAA	
COc1ccc2c(Br)ccnc2c1	32099837	HSLGTRSMCWHZQH-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
Cc1cc(F)c(S)c(Br)c1	36533072	PESTVELDXGEGDJ-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
Brc1cnn(CC2CCCCC2)c1	38074726	IESGDCLQIZINEU-UHFFFAOYSA-N	243.148	3.226	0	50	BGAA	in-vitro
O=C(O)c1ccc(-c2ccccc2F)cc1F	47204155	DVOWJFDWTATFLL-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
COC(=O)c1ccc(-c2ccc(F)cc2)c(F)c1	97757380	QSNMJVJEZXJTCT-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
FC(F)(F)c1cccc(-c2cn[nH]c2)c1	238594201	ZPMFLPANYYKTLC-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	in-vitro
CC(C)c1cc(N2CCC[C@@H](C)CC2)ncn1	346829376	JZLOHWUEJNYHOL-GFCCVEGCSA-N	233.359	3.226	0	50	BGAA	
Cc1cc(-c2ccc(O)cc2)cc2c1ncn2C	1875341972	RDMGKLUKWYJZNE-UHFFFAOYSA-N	238.290	3.254	0	50	BGAA	
CC(C)n1cncc1-c1ocnc1CC1CC1	2356141442	ATVFITKWIDVMGL-UHFFFAOYSA-N	231.299	3.072	0	50	BGAA	
Sc1ncc(-c2ccc(Cl)cc2)cn1	169963	TWTICSLSIMZTBQ-UHFFFAOYSA-N	222.700	3.086	0	50	BGAA	in-vitro
O=C(Nc1ccccc1)c1cccc(F)c1	344644	STGITJSNRGHAQZ-UHFFFAOYSA-N	215.227	3.078	0	50	BGAA	in-vitro
CC(C)N(C(=O)NC1CCCCC1)C(C)C	396364	NBYSLIADWDLLAS-UHFFFAOYSA-N	226.364	3.148	0	50	BGAA	
FC(F)(F)c1cc(-c2ccccc2)no1	447650	BZXLQFJADYMYKX-UHFFFAOYSA-N	213.158	3.360	0	50	BGAA	
Clc1ccc(CCC2CCNCC2)cc1	4312789	AQCBKTINMFHGHG-UHFFFAOYSA-N	223.747	3.272	0	50	BGAA	in-vitro
FC(F)(F)c1cn2cc(Cl)ccc2n1	6315649	NRZYRLQVLCUDQH-UHFFFAOYSA-N	220.581	3.007	0	50	BGAA	
COc1ccc2ccn(C(=O)OC(C)(C)C)c2c1	14984933	OZWDNKUOSIOAPD-UHFFFAOYSA-N	247.294	3.433	0	50	BGAA	in-vitro
CCc1ccc(C(=O)N2CCCCCC2)cc1	16580747	OGFFSGCVHVGUAR-UHFFFAOYSA-N	231.339	3.265	0	50	BGAA	
c1ccc2c(c1)N[C@H](c1ccncc1)S2	33493688	HOJCSMGFSWKLAV-LBPRGKRZSA-N	214.293	3.298	0	50	BGAA	
COc1ccc(Br)c2ccncc12	82767294	JBWGLXQEEJHTHI-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
Nc1cc2ccc(Br)cc2s1	83069391	ZDKHTZYKKXVACO-UHFFFAOYSA-N	228.114	3.246	0	50	BGAA	
COC(=O)Cc1ccc(-c2ccccc2C)cc1	97757239	XGJLLWXKVLDNRX-UHFFFAOYSA-N	240.302	3.378	0	50	BGAA	
Cc1cc(CNc2ccncc2F)c(C)o1	225406666	WDCGQWRRXNYPFQ-UHFFFAOYSA-N	220.247	3.043	0	50	BGAA	
C[C@H]1C[C@H](Nc2nccc3ccsc23)CCO1	310348279	OOWNDXPHQXPYEY-GXSJLCMTSA-N	248.351	3.276	0	50	BGAA	
Cc1nc2cc(CN[C@@H](C)C(C)C)ccc2n1C	670460933	CJFMIBUKVOWKBC-NSHDSACASA-N	245.370	3.016	0	50	BGAA	
O=Cc1ccc(F)c(-c2cccc(O)c2F)c1	725270575	MNTFLQXTODPEHC-UHFFFAOYSA-N	234.201	3.150	0	50	BGAA	
C=CC(=O)N[C@H](C)c1cc(Cl)ccc1Cl	1338393260	DMITXRNRKSDXAH-SSDOTTSWSA-N	244.121	3.357	0	50	BGAA	
CC(C)(C)c1nc(-c2cocn2)cs1	1615614443	GKCHOIWVRZEONB-UHFFFAOYSA-N	208.286	3.096	0	50	BGAA	
Clc1ccc(SCCn2ccnc2)cc1	235571	CZIDFICWHIVZLS-UHFFFAOYSA-N	238.743	3.329	0	50	BGAA	
O=C(Oc1ccc2ccccc2c1)c1ccncc1	240782	USYPXDXUGVBSSU-UHFFFAOYSA-N	249.269	3.454	0	50	BGAA	
Cc1cccc(OCC(=O)N(C(C)C)C(C)C)c1	468052	XXNUFPUAOYBFTC-UHFFFAOYSA-N	249.354	3.019	0	50	BGAA	
COc1cc2oc(=O)ccc2cc1CC=C(C)C	1664037	RSZDAYHEZSRVHS-UHFFFAOYSA-N	244.290	3.310	0	50	BGAA	biogenic,in-vitro
Fc1cc(F)c(C(F)(F)F)c(F)c1	2556406	SGPXFVDJRSZIPK-UHFFFAOYSA-N	200.081	3.123	0	50	BGAA	in-vitro
CC1=C[C@H](C)[C@H](CNCC(C)C)[C@@H](C)C1	4844213	LYDDCMLXSZPXMZ-IHRRRGAJSA-N	209.377	3.470	0	50	BGAA	
COc1ccc(CNC2CCCC2)c(OC)c1C	4891803	MFEGILGBQOUHLA-UHFFFAOYSA-N	249.354	3.044	0	50	BGAA	
c1cncc(CCNc2nccc3ccccc23)c1	5572537	CWATWFHWLVDHMX-UHFFFAOYSA-N	249.317	3.284	0	50	BGAA	
FC(F)(F)C(F)(F)Oc1ccccc1	6115964	IPNFWPNJJRACNA-UHFFFAOYSA-N	212.117	3.221	0	50	BGAA	
C[C@](Nc1ccccc1)(C(=O)O)c1ccccc1	19093524	AAEHCOPCHOUPLL-OAHLLOKOSA-N	241.290	3.099	0	50	BGAA	
COc1cc(NCc2ccc(C)o2)cc(OC)c1	19909425	WMTXACLMVUPYMJ-UHFFFAOYSA-N	247.294	3.217	0	50	BGAA	
CCc1ccccc1Oc1ccc(C(=O)O)o1	50907669	IWGWXXFRTMAUJV-UHFFFAOYSA-N	232.235	3.333	0	50	BGAA	
CCC/C=C/c1cc(NC(C)C)ncn1	67688947	GBKVWMFNBRUOJH-VOTSOKGWSA-N	205.305	3.110	0	50	BGAA	
O=C(CCC(F)(F)F)N[C@H]1CC[C@@H]2CCC[C@@H]21	77375568	CTFJQPDKWSJZME-GUBZILKMSA-N	249.276	3.024	0	50	BGAA	
O=C1CCC2(CCCN2Cc2ccccc2)CC1	95743055	NJPLBRDLSYTQEV-UHFFFAOYSA-N	243.350	3.164	0	50	BGAA	in-vitro
CCC(C)(C)C(=O)CC(=O)c1ccccc1	102810645	QPSQKNYIPKXIFV-UHFFFAOYSA-N	218.296	3.265	0	50	BGAA	
Cc1ccc(C(=O)C(C)(C)Br)s1	238547789	ALOLYNUEQOEPSH-UHFFFAOYSA-N	247.157	3.413	0	50	BGAA	
Cc1cccnc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	245237506	LFHKBFMSJGXFKK-RWMBFGLXSA-N	244.338	3.155	0	50	BGAA	
Cc1cnccc1CN(C)[C@@H]1CCC(C)(C)C1	572471550	KYVPYHSHLSNZFC-CQSZACIVSA-N	232.371	3.401	0	50	BGAA	
COc1cncc(-c2ccc(F)c(F)c2F)c1	725273114	ZETVBGARFDQLGS-UHFFFAOYSA-N	239.196	3.175	0	50	BGAA	
C=CC(=O)Nc1ccc2c(c1)CCC1(CCC1)O2	888098796	QINCXVLTYLJHEU-UHFFFAOYSA-N	243.306	3.059	0	50	BGAA	
NNc1ccc(Oc2ccc(Cl)cc2)cc1	153973	QUYIWZHUOZWOCF-UHFFFAOYSA-N	234.686	3.418	0	50	BGAA	
Cc1cc(C(=O)NCc2cccs2)cs1	1056636	UBXWIJVNYCEUGS-UHFFFAOYSA-N	237.349	3.048	0	50	BGAA	
CN[C@H](c1ccccc1)c1c[nH]c2ccccc12	5741690	FFYIAWRBSOCSOM-MRXNPFEDSA-N	236.318	3.477	0	50	BGAA	
COc1ncc(Br)c2ccccc12	40448444	BQMVHRXGXCDQEW-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
CC(C)c1nccc(N2CCC[C@@H]2C2CCC2)n1	110534946	OVUYJUXCKJHBSP-CYBMUJFWSA-N	245.370	3.369	0	50	BGAA	
COc1ccsc1CN[C@]12CCCC[C@H]1C2	631228534	ZILWTUBQRUGCPG-GWCFXTLKSA-N	237.368	3.179	0	50	BGAA	
CC(C)Oc1ccc(-c2cccnc2O)cc1	1241114307	YPQMFBCGXWBHRY-UHFFFAOYSA-N	229.279	3.241	0	50	BGAA	
CC(C)(C)c1cc(CO)cc(C(C)(C)C)c1O	57020	HNURKXXMYARGAY-UHFFFAOYSA-N	236.355	3.480	0	50	BGAA	endogenous,in-man
CC1CCC(N(C)C[C@H](O)c2ccccc2)CC1	212150	ZVAPKSFVEDIDAU-BCLQGDPASA-N	247.382	3.231	0	50	BGAA	
O=C(c1ccc2ccccc2c1)N1CCCCC1	286093	HCVWWOHTZDKWLC-UHFFFAOYSA-N	239.318	3.466	0	50	BGAA	
Cc1nc2ccccc2nc1N1CCC(C)CC1	435112	FJXYGFUYSIUQRR-UHFFFAOYSA-N	241.338	3.175	0	50	BGAA	
Clc1nsc(Sc2cccs2)n1	4290488	DPVKTZFIFFTJKH-UHFFFAOYSA-N	234.758	3.404	0	50	BGAA	
Oc1ccc(-c2cnc3ccccc3n2)cc1	13126614	QGECDAQWBBZAAZ-UHFFFAOYSA-N	222.247	3.002	0	50	BGAA	
COc1ccc(-c2cccc(C(=O)O)c2)c(F)c1	38068878	OORQZOBGEWAKDV-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Cc1ccc(-c2ccc(C(=O)O)nc2)c(C)c1	41248158	XMGLKUXHZFHPPO-UHFFFAOYSA-N	227.263	3.064	0	50	BGAA	in-vitro
COc1ccccc1-c1cc(F)cc(C(=O)O)c1	65349947	ZFJOWXOXIMCDGE-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Cc1cc(Nc2cc(Cl)ccc2C)nc(N)n1	72437244	ATHBZVSYJZSHIN-UHFFFAOYSA-N	248.717	3.073	0	50	BGAA	
CCCCn1cnc2ccc(F)c(F)c21	85477261	YTZBYVQZGBCAFE-UHFFFAOYSA-N	210.227	3.115	0	50	BGAA	in-vitro
CCOc1ccc(CN(CC)C2CC2)cc1	193221614	OBJVJLBZFGRPLJ-UHFFFAOYSA-N	219.328	3.070	0	50	BGAA	
N[C@H]1CCCCc2cc(Br)ccc21	238561159	AFDXZIWLADRNIM-NSHDSACASA-N	240.144	3.175	0	50	BGAA	
CC[C@H]1C=CCN1C(=O)CCCc1cccs1	952990336	YBWZEPCHUZDVQW-LBPRGKRZSA-N	249.379	3.248	0	50	BGAA	
Cc1oc(C(F)(F)F)c(C(=O)O)c1C(C)C	958527590	APUGYPZBKWHINJ-UHFFFAOYSA-N	236.189	3.428	0	50	BGAA	
Cc1ccc(Cn2cnc3ccccc32)cc1	432161	VFOIZTXAWSHNLR-UHFFFAOYSA-N	222.291	3.393	0	50	BGAA	
CC(C)(C)c1ccc(-c2conc2N)cc1	613605	HJVCIRVWHZHBFA-UHFFFAOYSA-N	216.284	3.221	0	50	BGAA	
O[C@H]1CCCCCc2ccc(cc2)CC1	3137357	UYVCWRSPZRZAGD-AWEZNQCLSA-N	204.313	3.097	0	50	BGAA	
O=C(Nc1cc(F)cc(F)c1)C1CCCCC1	4834739	CFZRIXJHCDZQTA-UHFFFAOYSA-N	239.265	3.484	0	50	BGAA	
O=C(/C=C/c1ccco1)Nc1ccccc1F	12341747	OCYLFWAMSCGFLB-BQYQJAHWSA-N	231.226	3.071	0	50	BGAA	
CCCCOc1ccc(-c2ncc(O)cn2)cc1	22289198	HUEBMULVUVAZBS-UHFFFAOYSA-N	244.294	3.028	0	50	BGAA	
Brc1csc2cccnc12	39426208	TYQIGSHNHLULNO-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F	45206693	SMXFZIKBUKWJGE-SSDOTTSWSA-N	243.150	3.268	0	50	BGAA	in-vitro
c1ccc(Cn2cccc3ccnc2-3)cc1	334139030	IKPKXUZETXIJKI-UHFFFAOYSA-N	208.264	3.036	0	50	BGAA	
Cc1ccc(F)cc1-c1cc(C2CC2)ncn1	426494483	OTHSJRCJBORATN-UHFFFAOYSA-N	228.270	3.469	0	50	BGAA	
CC1(C(=O)N2CCCCCCC2)C[C@@H]2C[C@H]2C1	585085853	DUWCBDXLALIIGH-STQMWFEESA-N	235.371	3.215	0	50	BGAA	
Cc1ccc(-c2nc3sccn3c2C=O)cc1	105285	NUEBUPJVOGWDTQ-UHFFFAOYSA-N	242.303	3.184	0	50	BGAA	
Fc1ccc(CNCc2ccccc2)cc1	280823	SXZSRGKJZKOZRP-UHFFFAOYSA-N	215.271	3.116	0	50	BGAA	
Fc1ccccc1OCc1ccccc1	1575636	RPSQIFUSMWMQHE-UHFFFAOYSA-N	202.228	3.405	0	50	BGAA	
CCCCCCOC(=O)c1ccccc1O	2034026	DUKPKQFHJQGTGU-UHFFFAOYSA-N	222.284	3.129	0	50	BGAA	biogenic
Cc1ccc(NC(=O)c2cccs2)cc1	2995944	WRENGQYLTDHYJS-UHFFFAOYSA-N	217.293	3.309	0	50	BGAA	
C[S@@](=N)c1ncc(Cl)cc1C(F)(F)F	4253903	MLOWTZYGRQMNBF-AWEZNQCLSA-N	242.653	3.123	0	50	BGAA	
CC(=O)Nc1c(Cl)ccc(C)c1Cl	5781223	CJKDFKCEXKPCBM-UHFFFAOYSA-N	218.083	3.260	0	50	BGAA	in-vitro
CCCOc1ccc(C(=O)NC(C)(C)C)cc1	7649257	MYULXAOTWBHZEV-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
CC(C)Cc1cccc([C@@H](C)C(=O)O)c1	13646196	SFVKLYXPBKITCE-SNVBAGLBSA-N	206.285	3.073	0	50	BGAA	in-vivo
Cc1cc(N)c2c(Cl)cc(Cl)cc2n1	32099241	WGXAEZMNZHRTNP-UHFFFAOYSA-N	227.094	3.432	0	50	BGAA	in-vitro
Clc1ccc(O[C@@H]2CCCCO2)cc1	32150909	BATPOJJUDDURGW-LLVKDONJSA-N	212.676	3.245	0	50	BGAA	
Clc1ccc([C@H]2CCNC2)cc1Cl	57939313	BZRNHMNSDPKKHM-QMMMGPOBSA-N	216.111	3.070	0	50	BGAA	in-vitro
Cc1cc(Br)c(F)cc1F	63772319	WOCZKGUFVNUBEC-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
CC(C)Oc1cccc(F)c1-c1ccc(N)nc1	65468580	HMBOWSDKQVLNIW-UHFFFAOYSA-N	246.285	3.257	0	50	BGAA	
CCCC[C@@H](CC)COC(=O)CCOCC	138672327	BMWQJFMEYZGKPB-GFCCVEGCSA-N	230.348	3.173	0	50	BGAA	
Cc1cc(F)c2[nH]ccc2c1Br	147725065	WRNMGFNXEUPRBP-UHFFFAOYSA-N	228.064	3.378	0	50	BGAA	in-vitro
Cc1cc2[nH]ncc2cc1NC(=O)CCC(C)C	170611487	PYHXMCGQNZLKQC-UHFFFAOYSA-N	245.326	3.246	0	50	BGAA	
CN(CCC[C@@H]1CCCO1)CCc1ccccc1	215987780	ZSFYLBGRNXFVPZ-MRXNPFEDSA-N	247.382	3.120	0	50	BGAA	
CC(C)[C@H](C)O[C@@H]1CC(=O)CCC1(C)C	725359544	DLYUSGLNWSAHPZ-CMPLNLGQSA-N	212.333	3.195	0	50	BGAA	
C=CC(=O)N(C)[C@H](c1ccc(Cl)cc1)C1CC1	1875366634	FAQMQNYMBYGBJD-AWEZNQCLSA-N	249.741	3.436	0	50	BGAA	
Cc1ccc(O)c(-c2cc(C(F)(F)F)on2)c1	61018	IYHJIRNDFJWDPR-UHFFFAOYSA-N	243.184	3.374	0	50	BGAA	
CC(=O)c1cccc(NC(=O)c2ccccc2)c1	143107	WLMCJZXPENYTMD-UHFFFAOYSA-N	239.274	3.142	0	50	BGAA	
CC(C)(C)c1cc(-c2ccccc2)nc(N)n1	175377	WRUMWHKCNMJMLF-UHFFFAOYSA-N	227.311	3.023	0	50	BGAA	in-vitro
CCSc1sc(CC)cc1CN(C)C	251273	JUHJCKWCKZXVLP-UHFFFAOYSA-N	229.414	3.484	0	50	BGAA	
COc1cccc(CN[C@@H]2CCCC[C@@H]2C)c1	293166	ZPCKFKYWLQCLJV-SWLSCSKDSA-N	233.355	3.364	0	50	BGAA	
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1C	313148	NFPWJMSVIZIPLV-GXTWGEPZSA-N	231.339	3.304	0	50	BGAA	
CC[C@@H](C)NC(=S)Nc1ccccc1Cl	314759	PITIASLCZJJAAU-MRVPVSSYSA-N	242.775	3.425	0	50	BGAA	
Cc1cc(C)[n+]2c(c1)sc1ccccc12	390797	CBFSTJAXKAVDBP-UHFFFAOYSA-N	214.313	3.257	0	50	BGAA	
FC(F)(F)c1ccncc1C(F)(F)F	12359132	SVYGFFYEEPFDOC-UHFFFAOYSA-N	215.096	3.119	0	50	BGAA	in-vitro
CCCCc1ccc(C(=O)Nc2ccon2)cc1	13745728	SZCPYQDHBSLMIV-UHFFFAOYSA-N	244.294	3.270	0	50	BGAA	
Cc1ccc(C(=O)c2ccc(Cl)c(N)c2)cc1	19094321	MXUQMGQNTODIEL-UHFFFAOYSA-N	245.709	3.462	0	50	BGAA	in-vitro
O=C(O)CCc1cccc(Cl)c1Cl	19440624	QJOCBCMKVRKWLM-UHFFFAOYSA-N	219.067	3.011	0	50	BGAA	in-vitro
COC(=O)c1cc(Cl)c(C)c(Cl)c1	26508389	WWZXFVCHCWYKJD-UHFFFAOYSA-N	219.067	3.088	0	50	BGAA	
COc1ccc(-c2cccc(C(=O)O)c2)c(C)c1	32100089	YMUIGLXBLDWLPT-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
C=Cc1cc(F)ccc1Br	71790224	CGBWASPURDORDZ-UHFFFAOYSA-N	201.038	3.231	0	50	BGAA	in-vitro
CC(C)Oc1cc(C(F)(F)F)ccc1O	95710587	KXYGKTPMFDLHPJ-UHFFFAOYSA-N	220.190	3.198	0	50	BGAA	
CCCCNC[C@@H]1C[C@H](C)c2ccccc2C1=O	96026832	DMLSMEWRMJQNOO-STQMWFEESA-N	245.366	3.382	0	50	BGAA	
CC(C)n1ncnc1-c1cnc2ccccc2c1	426477390	MTUJKHNYDXCMIZ-UHFFFAOYSA-N	238.294	3.074	0	50	BGAA	
CC[C@@]12C[C@H]1CN(c1nccc3ccccc13)C2	1772811340	SZBVHFICTQEIRK-BBRMVZONSA-N	238.334	3.471	0	50	BGAA	
O=C(Cc1ccc(F)cc1)Nc1ccccc1F	64674	OZMMIOWGWHESJE-UHFFFAOYSA-N	247.244	3.146	0	50	BGAA	
O=C1O/C(=C\c2ccccc2)c2ccccc21	80737	YRTPZXMEBGTPLM-UVTDQMKNSA-N	222.243	3.355	0	50	BGAA	biogenic,in-vitro
C[C@@H](NC(=S)c1ccncc1)c1ccccc1	323091	GSKFABXFQLPNKA-LLVKDONJSA-N	242.347	3.108	0	50	BGAA	
Cc1c2c(nn1-c1ccccc1)C[C@@H]1[C@H]2C1(C)C	1513382	KQMINNNRYGRYFH-IUODEOHRSA-N	238.334	3.476	0	50	BGAA	
CCCCCCOC(=O)c1ccc(O)cc1	2023161	ULULAZKOCFNOIM-UHFFFAOYSA-N	222.284	3.129	0	50	BGAA	biogenic,in-vitro
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(F)(F)F)c1	13325791	PDMUQPUAGQKEPE-GMSGAONNSA-N	243.228	3.300	0	50	BGAA	
CC(C)Oc1ccc(CNC(=O)C(C)(C)C)cc1	36561532	QZWLXXWQTFZEAR-UHFFFAOYSA-N	249.354	3.136	0	50	BGAA	
CCNc1nc(CC)nc2sc(CC)cc12	41090081	YJZGYFRDDDDZMF-UHFFFAOYSA-N	235.356	3.248	0	50	BGAA	
CC(C)(O)c1ccc2c(c1)[C@H]1C=C[C@H]2C1	101037230	DRTARABTTNCHBZ-UWVGGRQHSA-N	200.281	3.055	0	50	BGAA	
COc1ccc2c(c1)[C@H]1C=C[C@H]2[C@@H]2C=C[C@H]12	216408513	OBFXLUZQOMFZHE-MNXVOIDGSA-N	210.276	3.248	0	50	BGAA	
CC[C@@H]1CCCCN1C[C@@H]1CCO[C@@H](C)C1	230237953	VEYNQOZLHHUDOQ-BFHYXJOUSA-N	225.376	3.066	0	50	BGAA	
CC(C)(C)SCCSc1ncccn1	278877484	VXGJLXQUGORYNH-UHFFFAOYSA-N	228.386	3.100	0	50	BGAA	
Oc1ccc(-c2cc(F)cc3cccnc23)cn1	426739893	UTVNHAHIMOQVQE-UHFFFAOYSA-N	240.237	3.142	0	50	BGAA	
CCc1nc([C@@H](C)NCC2(Cl)CC2)cs1	1875275631	KCHXZLSKNNKBBW-MRVPVSSYSA-N	244.791	3.128	0	50	BGAA	
CCSc1nnc(C)c2ccccc12	36802	HZGCTVUFCKNHOP-UHFFFAOYSA-N	204.298	3.050	0	50	BGAA	
COC(=O)c1oc2ccccc2c1-n1cccc1	54914	ASMBCBYDOVFEBD-UHFFFAOYSA-N	241.246	3.010	0	50	BGAA	
COc1ccccc1NC(=O)c1ccccc1C	142482	YAKALAHWNXQWCR-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
O=C(O)c1ccc(-c2ccsc2)cc1	162003	FISAUHGRILVMDP-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	in-vitro
O=Cc1c(-c2ccccc2)cc2ccccn12	332790	HXCCGUNEMZFUFU-UHFFFAOYSA-N	221.259	3.419	0	50	BGAA	
O=C(Nc1ccccc1)[C@H]1C[C@@H]1c1ccccc1	357383	RWEUWCXPDZJTGC-CABCVRRESA-N	237.302	3.429	0	50	BGAA	
O=C(c1cccc(Br)c1)C1CC1	2514274	BVBIQMCEDCXCSP-UHFFFAOYSA-N	225.085	3.042	0	50	BGAA	in-vitro
CCC(CC)C(=O)N1CCCC[C@@H]1CC	2760190	ZXNPLEKQTFTZPC-LBPRGKRZSA-N	211.349	3.214	0	50	BGAA	
Cc1ccc(C)c(OCCCN2CCCC2)c1C	2932547	FXMDWHVTCLGBSF-UHFFFAOYSA-N	247.382	3.477	0	50	BGAA	
CCCCNC(=S)Nc1cccc(Cl)c1	2982779	PHPUCRGCTJFKHP-UHFFFAOYSA-N	242.775	3.427	0	50	BGAA	
Cc1cc(C)cc([C@H](O)c2ccccc2)c1	4255607	SLNXZUABMKSUBT-OAHLLOKOSA-N	212.292	3.385	0	50	BGAA	
O=c1oc2ccccc2cc1-c1ccc(O)cc1	4656499	ROGXIFKSIOPJFE-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	biogenic
CCn1c(-c2ccccc2)cc(C(=O)O)c1C	4671542	MZWAEZCLYPDAIQ-UHFFFAOYSA-N	229.279	3.182	0	50	BGAA	
CC1=C(CCN2CCOCC2)C(C)(C)CCC1	23280929	DOZWLENCKCXACG-UHFFFAOYSA-N	237.387	3.235	0	50	BGAA	
C[C@H]1CCc2nc(Nc3ccccc3)ncc2C1	67320878	PDJGNYNOFIDBSN-NSHDSACASA-N	239.322	3.345	0	50	BGAA	
CCCc1sc(C(=O)O)cc1-c1ccncc1	67675726	KNPZYAQFPSIVEI-UHFFFAOYSA-N	247.319	3.461	0	50	BGAA	
c1ccc([C@@H]2CCCC[C@@]23CCCN3)cc1	96027437	UOVPTGPDKNPQRJ-LSDHHAIUSA-N	215.340	3.466	0	50	BGAA	
CC(=O)c1ccc(Oc2ccccc2C)nc1	212851607	NDOWIPQATFIDKV-UHFFFAOYSA-N	227.263	3.385	0	50	BGAA	
Fc1cccc(Cc2noc(-c3ccoc3)n2)c1	225587936	PWCNHXXUYFNHQI-UHFFFAOYSA-N	244.225	3.060	0	50	BGAA	
CCOc1cc(Cl)cc(Cl)c1OC	261493971	MYJVWISEQDHRPF-UHFFFAOYSA-N	221.083	3.401	0	50	BGAA	
COC(=O)Cc1cc(Cl)cc(C)c1Cl	263625051	WHWFUMSBGRITGQ-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
Nc1ccc(Br)c(Cl)c1Cl	165470	KSXHNASRSXNUJH-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	in-vitro
O=C(Nc1ccccc1)N1CCc2ccccc21	190920	RIAYZJVKRQJSBF-UHFFFAOYSA-N	238.290	3.281	0	50	BGAA	
COc1cc(C)ccc1C(=O)c1ccccc1	389194	AHDKYRGZGYQZQP-UHFFFAOYSA-N	226.275	3.235	0	50	BGAA	
O=C(O)c1cc(C(F)(F)F)cc(Cl)c1F	2382178	UINXNXRHKMRASA-UHFFFAOYSA-N	242.555	3.196	0	50	BGAA	in-vitro
CC(=O)Sc1ccc(Br)cc1	4159312	ZILDXZXTWVSRDE-UHFFFAOYSA-N	231.114	3.088	0	50	BGAA	
CC(=O)Nc1ccc(CN2CCCCCC2)cc1	4990304	JOSNISARYCVTMF-UHFFFAOYSA-N	246.354	3.021	0	50	BGAA	
CC[C@@H](C)NC(=O)Cc1coc2cc(C)ccc12	6701929	CTSCZLZGZKIJOZ-LLVKDONJSA-N	245.322	3.198	0	50	BGAA	
CCc1ccc([C@@H](C)NC(=O)c2ccco2)cc1	6731328	ISULDEYEFNRDCG-LLVKDONJSA-N	243.306	3.333	0	50	BGAA	
C[C@H]1c2c(oc3ccc(N)cc23)[C@H](C)CN1C	13125083	QMKJMCYBXWJHIO-BDAKNGLRSA-N	230.311	3.125	0	50	BGAA	
COc1ccccc1CCN[C@@H]1CC[C@@H](C)C1	23280440	GSJGRYUDEBEFSF-TZMCWYRMSA-N	233.355	3.016	0	50	BGAA	
CC(=O)c1ccccc1-c1ccc2nc[nH]c2c1	67850117	HUFPLYYGZCHOMR-UHFFFAOYSA-N	236.274	3.433	0	50	BGAA	
C[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1	157687595	OVLNJCLECPELON-CYBMUJFWSA-N	240.350	3.467	0	50	BGAA	
C[C@H](/C=C/C(=O)O)O[Si](C)(C)C(C)(C)C	209067653	BQYJTPADGKWSNB-FCZSHJHJSA-N	230.380	3.038	0	50	BGAA	
C1=CC[C@H](c2nccn2C2CCOCC2)CC1	1857728122	OLXQPQLOMOCUFZ-LBPRGKRZSA-N	232.327	3.058	0	50	BGAA	
Cc1ccccc1NC(=O)CC(C)(C)C	30833	JIKCHXIUSDWILU-UHFFFAOYSA-N	205.301	3.370	0	50	BGAA	
Cc1cccnc1NC(=S)Nc1ccccc1	276921	KHEJUDWLDAHDQQ-UHFFFAOYSA-N	243.335	3.199	0	50	BGAA	
O=C(Nc1ccccc1)Nc1ccccc1O	406516	SOTPAHSLPCKYOC-UHFFFAOYSA-N	228.251	3.036	0	50	BGAA	
Cc1ccccc1C(=O)c1cccs1	2534777	GNSXNNHYZFXSJA-UHFFFAOYSA-N	202.278	3.288	0	50	BGAA	
Nc1c(Cl)ccc2nc(Cl)ccc12	21299718	TVPGXEHODHDXJW-UHFFFAOYSA-N	213.067	3.124	0	50	BGAA	in-vitro
Cc1cc(Cl)c(C(=O)O)c(Br)c1	196053632	FMNHLDLSSJFJNM-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	
CC(=O)c1sc2cc(C)cc(C)c2c1N	205366050	LJDFZPPHEPGPJM-UHFFFAOYSA-N	219.309	3.303	0	50	BGAA	
Cc1cc(Br)cc2scnc12	306720228	MOVZWCBOOWQDSZ-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	
COc1cccc(-c2cc(C)ncc2C)c1OC	426555382	DURBJPFRRVWIDN-UHFFFAOYSA-N	243.306	3.383	0	50	BGAA	
CCc1nc(C)ccc1Oc1ccc(OC)nc1	1857692091	NYFQOGAFFXSTKF-UHFFFAOYSA-N	244.294	3.148	0	50	BGAA	
O=C1Nc2ccccc2Sc2ccccc21	14023	RTERDTBXBYNZIS-UHFFFAOYSA-N	227.288	3.404	0	50	BGAA	in-vitro
Cc1ccccc1COc1ccccc1C=O	151808	OPCAEGHIDFCDBM-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
CN(C)C(=O)Nc1c(Cl)cccc1Cl	396280	RCLCYFSHJHMZTD-UHFFFAOYSA-N	233.098	3.087	0	50	BGAA	
O=Cc1ccc(-c2ccc(F)cc2)s1	4312912	JSWYSOJZYJPLNN-UHFFFAOYSA-N	206.241	3.367	0	50	BGAA	in-vitro
CC1CCN(c2nc3cc(Cl)ccc3[nH]2)CC1	6907318	WXZXDJIMXHEXCD-UHFFFAOYSA-N	249.745	3.453	0	50	BGAA	
COc1ccc2sc(C)cc2c1C=O	221683173	CSRZPGWHNROEQC-UHFFFAOYSA-N	206.266	3.031	0	50	BGAA	
Cc1ccc(NC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1	239439042	ZJERMVFQFCPDPT-WDNDVIMCSA-N	229.323	3.370	0	50	BGAA	
Cc1c(Cl)ccc(Cl)c1/C=C/C(=O)O	263625336	YWSOQMRFXACHAL-GORDUTHDSA-N	231.078	3.400	0	50	BGAA	
Cc1nc2cc(-c3nccn3C)ccc2s1	1875244081	LQPNUISUFLABBL-UHFFFAOYSA-N	229.308	3.005	0	50	BGAA	
Cc1cc(F)ccc1NCc1cccnc1	183739	WEMBFRCFMILBNB-UHFFFAOYSA-N	216.259	3.141	0	50	BGAA	
CC(C)C[C@H](C)NC(=O)NC1CCCCC1	388957	MULWXDIQMVYTFG-NSHDSACASA-N	226.364	3.053	0	50	BGAA	
Cc1ccc(NC(=O)Oc2cccnc2)c(C)c1	395386	NGYLJLOHNKKSNK-UHFFFAOYSA-N	242.278	3.309	0	50	BGAA	
CCc1nc2cc(Cl)c(Cl)cc2[nH]1	612976	TUAVLJUMDKFUGC-UHFFFAOYSA-N	215.083	3.432	0	50	BGAA	
CCC[C@H](C)NC(=O)/C=C/c1ccccc1	2843947	FGLPEUNBPMOYFH-IIANPFDCSA-N	217.312	3.005	0	50	BGAA	
c1cncc([C@@H]2CCCCN2Cc2ccco2)c1	22023181	SVYATQQCRHBORT-HNNXBMFYSA-N	242.322	3.402	0	50	BGAA	
O=C(O)c1c(F)cccc1-c1ccccc1	47207711	MTGFHEPJUPTKGV-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
COc1cc(Br)cc(OC(C)C)c1	85472191	GKGXESSGXPZELQ-UHFFFAOYSA-N	245.116	3.245	0	50	BGAA	in-vitro
CC(C)(C)c1ccc(C2CC(=O)CC(=O)C2)cc1	100152820	DOBCYMOHKDQMLM-UHFFFAOYSA-N	244.334	3.390	0	50	BGAA	
CCSc1ccc([C@H](O)C(F)(F)F)cc1	107773182	JISKIXBDOMOUGN-VIFPVBQESA-N	236.258	3.394	0	50	BGAA	
COC(=O)C=C1CCC(c2ccc(O)cc2)CC1	113702679	JJGBMDHQWXLWSN-UHFFFAOYSA-N	246.306	3.149	0	50	BGAA	
Cc1cc(Br)c2cnccc2c1	202376580	YUYSEYFFNVZQMV-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
Cc1cc(O)c(OCc2ccccc2)cc1F	224209686	OJIVTWBYELSTHT-UHFFFAOYSA-N	232.254	3.419	0	50	BGAA	
C=CC(=O)N1CCCCc2ccc(Cl)cc21	888098634	MGWIGYXLWOKKHV-UHFFFAOYSA-N	235.714	3.195	0	50	BGAA	
O=C(NCc1ccccc1)Nc1ccccc1	171034	XXFBRXQVPJVXFB-UHFFFAOYSA-N	226.279	3.008	0	50	BGAA	
Clc1ccc(Nc2ccccn2)cc1	290748	PRZYJLBEQGBXQQ-UHFFFAOYSA-N	204.660	3.479	0	50	BGAA	
CCc1cccc(NC(=O)Nc2ccccn2)c1	397684	IWXRYFBOKJLFSJ-UHFFFAOYSA-N	241.294	3.288	0	50	BGAA	
Fc1ccc(CNC2CCCCC2)cc1	571243	IXXUEFBZPLQYAJ-UHFFFAOYSA-N	207.292	3.248	0	50	BGAA	in-vitro
O=C(CCCc1ccccc1)N1CCCCCC1	860382	WNFSUHOWNHXBCY-UHFFFAOYSA-N	245.366	3.412	0	50	BGAA	
CCCOc1ccc(Br)cc1	2530969	VVPARGBRVKRZJC-UHFFFAOYSA-N	215.090	3.238	0	50	BGAA	biogenic,in-vitro
Cc1cnc(NC(=O)CCc2ccccc2)s1	2621782	HHHCOSJJWCSIRZ-UHFFFAOYSA-N	246.335	3.023	0	50	BGAA	
O=Cc1ccc(-c2cc(F)cc(F)c2)cc1	4204228	KKOQMGVTGKBJBL-UHFFFAOYSA-N	218.202	3.444	0	50	BGAA	
C/C(=C\C(=O)Nc1nccs1)c1ccccc1	4954190	KXMVAXLDAZPGOL-MDZDMXLPSA-N	244.319	3.185	0	50	BGAA	
CCOc1ccc(Cl)cc1[C@@H]1CCCN1	6658217	LQEATBYXWOTTRX-NSHDSACASA-N	225.719	3.163	0	50	BGAA	in-vitro
CCCCNc1cc(=O)oc2ccccc12	95854710	YPFALCOQVSMNOG-UHFFFAOYSA-N	217.268	3.005	0	50	BGAA	
O=C(O)/C=C/c1cc(Cl)cc(Cl)c1F	263623604	IYDBHEGDCYIXJR-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
c1ccc([C@@H]2CCCCN2Cc2c[nH]cn2)cc1	280325874	YZPPVTLPTTVYDE-HNNXBMFYSA-N	241.338	3.137	0	50	BGAA	
Clc1cnc(CN[C@@]23CCCC[C@H]2C3)s1	631225705	KIYHUMONTMPEOT-GZMMTYOYSA-N	242.775	3.219	0	50	BGAA	
CC(C)O[C@@H]1CC(=O)CC[C@H]1C(C)(C)C	725360598	IRYMYOUOVWBBDF-VXGBXAGGSA-N	212.333	3.195	0	50	BGAA	
COc1cnccc1-c1cccc([C@H](C)OC)c1	1242031339	CNUMOLMQUVKFOD-NSHDSACASA-N	243.306	3.465	0	50	BGAA	
N[C@@H]1c2ccccc2CC12CCCCC2	1857783010	IRMVQXZYCPFDMO-CYBMUJFWSA-N	201.313	3.193	0	50	BGAA	
Cc1ccc(NC(=O)Nc2ccc(F)cc2)nc1	81487	RGTWJTASNNQAAH-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
Brc1ccc(Br)s1	1673411	KBVDUUXRXJTAJC-UHFFFAOYSA-N	241.935	3.273	0	50	BGAA	in-vitro
Cn1cccc1CNC1CCCCCCC1	4942808	CUHBEZNUBKVWGA-UHFFFAOYSA-N	220.360	3.228	0	50	BGAA	
Nc1nc(-c2c[nH]c3ccc(F)cc23)cs1	12971148	MCCHXHLIHNCROC-UHFFFAOYSA-N	233.271	3.013	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C)c(C)c1	16551757	DLFJYZDAKPUZNJ-MBNYWOFBSA-N	231.339	3.137	0	50	BGAA	
O=C(c1cc2c(s1)CCCCC2)N1CCCC1	16580713	AFFWCZNCVUCGSY-UHFFFAOYSA-N	249.379	3.253	0	50	BGAA	
Clc1cccc(CCNCc2cccnc2)c1	19642994	WUFZWSYJPJXCGC-UHFFFAOYSA-N	246.741	3.067	0	50	BGAA	
FC(F)(F)c1ccc2ncnc(Cl)c2c1	26894439	OJNBXNWWYXBHGZ-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	
COc1ccc(-c2cnc(Cl)cn2)cc1C	67654865	FWBFVWPVAUAWGN-UHFFFAOYSA-N	234.686	3.114	0	50	BGAA	
CC[C@@](C)(CCc1ccccc1)C(=O)O	71773248	JHGYOCKJUCPFNO-ZDUSSCGKSA-N	206.285	3.120	0	50	BGAA	
CCC[C@H](C(=O)c1cccs1)N1CCCC1	95705105	OOSRPGUQJAKBLV-LLVKDONJSA-N	237.368	3.195	0	50	BGAA	in-vitro
CC(C)(C)[Si](C)(C)c1ccccc1O	196638563	OJHZEIGCCAXUOU-UHFFFAOYSA-N	208.377	3.108	0	50	BGAA	
CCSC[C@H](C)NC1(Cc2ccccc2)CC1	534656832	FLTDKOFXUVJJCN-ZDUSSCGKSA-N	249.423	3.493	0	50	BGAA	
CC[C@H]1C=CCN1C1CCN(C2CCCC2)CC1	952973674	RMBGLDZQBBHXQU-AWEZNQCLSA-N	248.414	3.044	0	50	BGAA	
O=C(c1ccoc1)N1CC[C@@H]1c1ccc(F)cc1	1453034422	XJSJDVXNSPBZOC-CYBMUJFWSA-N	245.253	3.006	0	50	BGAA	
CCn1ncc(-c2cc(C)c(O)cc2F)c1C	2356169073	KGIQQWRUYKJUSO-UHFFFAOYSA-N	234.274	3.032	0	50	BGAA	
Cc1ccc(CNC(=O)c2ccc(C)cc2)cc1	101545	SUMHSAVOXNKVKB-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
CCCCc1ccc(NC(=O)COCC)cc1	2734720	QSXDVGMEBSSGPR-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
COC(=O)c1cc2ccc(C(C)C)cc2[nH]1	4235071	JWTJTTYFNHSPNN-UHFFFAOYSA-N	217.268	3.078	0	50	BGAA	in-vitro
N=S(c1ccccc1)c1ccccc1	4521452	LEXXWUCMDYEREL-UHFFFAOYSA-N	201.294	3.485	0	50	BGAA	in-vitro
Cc1ccc(C(=O)NCc2cccc(Cl)c2)o1	13327386	WBYUXCVHLQENSE-UHFFFAOYSA-N	249.697	3.171	0	50	BGAA	
C1CC[C@@H]2C[C@]3(CC[C@H]2C1)NCCS3	169615697	QGBHEKOPFUSDOP-IJLUTSLNSA-N	211.374	3.009	0	50	BGAA	
O=Cc1cccc(-c2cccc(O)c2F)c1	725270806	DKRAFTRFIRSREX-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
Cc1cccc(-c2cc[nH]n2)c1Br	725272755	LSYOGGXXGYAIDV-UHFFFAOYSA-N	237.100	3.148	0	50	BGAA	
CC[C@H](C)c1cc(O)nc(-c2cccc(O)c2)n1	1776004247	PLWCTPXOKHODHQ-VIFPVBQESA-N	244.294	3.068	0	50	BGAA	
c1cc2[nH]cc(-c3ccc4nccnc4c3)c2cn1	1875290296	OWFJYWRYOBGHDK-UHFFFAOYSA-N	246.273	3.173	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)c1ccc(OC)cc1	29564	HMCALWMAVYTOSL-CYBMUJFWSA-N	247.338	3.100	0	50	BGAA	
Cc1ccnc(NC(=O)c2cccc(Cl)c2)c1	290861	BIGUVQJGZSWXJK-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
CCN[C@H](Cc1ccccc1)c1ccco1	394297	JJZNSQAREZKLGY-CYBMUJFWSA-N	215.296	3.173	0	50	BGAA	in-vitro
FC(F)(F)O[C@](F)(Cl)C(F)(F)Cl	4329297	PIHHZNWHYDIJIP-REOHCLBHSA-N	236.926	3.217	0	50	BGAA	in-vitro
Cc1nc(C23CC4CC(CC(C4)C2)C3)c[nH]1	5092432	LUZKLJOGUSUWKT-UHFFFAOYSA-N	216.328	3.186	0	50	BGAA	
O=C(OCc1ccco1)c1ccc(Cl)cc1	6701246	ZOTNUHCCBPJKLO-UHFFFAOYSA-N	236.654	3.290	0	50	BGAA	
CCNC/C=C/COc1ccccc1C(C)C	16623064	ZGOPKGSGAVJUFG-BQYQJAHWSA-N	233.355	3.355	0	50	BGAA	
Nc1ncc(-c2ccccc2)cc1Br	19735128	SAZYIWJKSVYWFJ-UHFFFAOYSA-N	249.111	3.093	0	50	BGAA	in-vitro
c1ccc(Nc2nccc(-c3ccco3)n2)cc1	26643194	HBAYNAATFIXITG-UHFFFAOYSA-N	237.262	3.480	0	50	BGAA	
Cc1cc(Br)c2cc(F)ccc2n1	32099864	PNUZBHRKDCGEIY-UHFFFAOYSA-N	240.075	3.445	0	50	BGAA	
Cc1ccc(C(N)=O)cc1/C=C/c1ccccc1	67675268	GQHSUXLYPXMRFU-CSKARUKUSA-N	237.302	3.264	0	50	BGAA	
O=C(NCCCc1ccc(F)cc1)C1CCCC1	72117776	AHLHRARUSLJIAB-UHFFFAOYSA-N	249.329	3.065	0	50	BGAA	
Cc1cccc(C[C@H]2COc3ccccc3C2)n1	92061569	NCUKQONKENILRQ-ZDUSSCGKSA-N	239.318	3.184	0	50	BGAA	
Cc1c(F)c(F)cc(Br)c1F	95829863	MARJTTMEOKZEQJ-UHFFFAOYSA-N	225.007	3.175	0	50	BGAA	
O=C1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@H]32	248006872	UEMYAOLZGPYWPV-NOXHYTERSA-N	222.287	3.091	0	50	BGAA	
Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C)cc1	641898748	RKFQTNDMUWQMOQ-SNPRPXQTSA-N	243.350	3.315	0	50	BGAA	
c1c[nH]c(-c2nc(C3CCCC3)cs2)n1	952992629	IAFUFBIRSWPPPB-UHFFFAOYSA-N	219.313	3.191	0	50	BGAA	
O=C(O)[C@H]1CC=C(c2cccc(F)c2)CC1	1775971689	YULNFGKHLXAKNS-JTQLQIEISA-N	220.243	3.094	0	50	BGAA	
Cn1nc(-c2cccs2)cc1C(F)(F)F	161052	XFKJHEOGGKXEHH-UHFFFAOYSA-N	232.230	3.167	0	50	BGAA	
CN(C)C(=O)Nc1ccc(Cl)cc1Cl	396206	UZOKKCRCTNFCDX-UHFFFAOYSA-N	233.098	3.087	0	50	BGAA	
COc1ccc(SCCc2ccccn2)cc1	439512	IHSRDLHKENMGPJ-UHFFFAOYSA-N	245.347	3.425	0	50	BGAA	
CCC(CC)C(=O)N1CCCc2ccccc21	474461	FWFOXGPTEVRMFA-UHFFFAOYSA-N	231.339	3.402	0	50	BGAA	
NCc1ccccc1Oc1ccc(F)cc1	2513065	FCOKAHQJFXLPJJ-UHFFFAOYSA-N	217.243	3.077	0	50	BGAA	in-vitro
FC(F)(F)c1ccc(C[C@@H]2CCCNC2)cc1	2526862	UERYHSFWMVCBIC-NSHDSACASA-N	243.272	3.248	0	50	BGAA	
O[C@@H](c1ccc(F)cc1)c1cc(F)cc(F)c1	4290157	LQWBSFQCDFKNBG-ZDUSSCGKSA-N	238.208	3.186	0	50	BGAA	
CCCN(Cc1ccccc1OC)CC1CC1	5468319	YLRNUAGIIGBAAT-UHFFFAOYSA-N	233.355	3.317	0	50	BGAA	
O=[N+](/C=C/N(O)c1ccccc1)c1ccccc1	6529766	PCKNDIROCAMKKV-VAWYXSNFSA-N	241.270	3.464	0	50	BGAA	
CCC[C@H](C(=O)c1ccc(F)cc1)N1CCCC1	13682039	BQLSUBYYRRZHRK-CQSZACIVSA-N	249.329	3.273	0	50	BGAA	in-vivo
CC[C@H](NC(=O)N[C@H](C)CC)c1ccccc1	13746246	KXWPOOLSPYMSSF-YPMHNXCESA-N	234.343	3.235	0	50	BGAA	
Cc1ccc(Br)c2cc[nH]c12	14985829	FEMJIOSKNKIMBM-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
Cc1ccc(-c2noc(C(C)(C)C)n2)cc1	38536954	YYELJJHQDCFHIB-UHFFFAOYSA-N	216.284	3.343	0	50	BGAA	in-vitro
Cc1ccc(-c2cncc(C(C)(C)O)c2)cc1	1250561335	MHNPQYVIYSOXRY-UHFFFAOYSA-N	227.307	3.284	0	50	BGAA	
O=c1c(O)c(-c2ccccc2)oc2ccccc12	57675	HVQAJTFOCKOKIN-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	endogenous,in-man
Cc1[nH]c2c(Cl)ccc(Cl)c2c1CCN	140724	HTUUKBBIGLELJY-UHFFFAOYSA-N	243.137	3.284	0	50	BGAA	
COC(=O)/C(=C/c1ccccc1)c1ccccc1	162035	UPPQALKIAPIOGN-NTCAYCPXSA-N	238.286	3.400	0	50	BGAA	
C[P@@](=O)(Nc1ccccn1)Oc1ccccc1	215762	XYYOVFPAHCYHPS-KRWDZBQOSA-N	248.222	3.395	0	50	BGAA	
Cc1ccccc1Oc1ccc(C(=O)O)cc1	2388878	NDATUJNTHWUURZ-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	in-vitro
CCCc1nc2ccccc2n1[C@H](CC)C(=O)O	6294314	QDBNBNZBMVJKRE-LLVKDONJSA-N	246.310	3.025	0	50	BGAA	in-vitro
Oc1ncccc1-c1nc2ccccc2s1	12336401	YHMYUPKSHSZIIB-UHFFFAOYSA-N	228.276	3.064	0	50	BGAA	
CCCOc1ccc(F)cc1Br	19482158	MZASMHWXAIRSKJ-UHFFFAOYSA-N	233.080	3.377	0	50	BGAA	in-vitro
CCCN1CCC[C@H](c2cccc(OC)c2)C1	29241653	IOENUXNLWXMOQG-AWEZNQCLSA-N	233.355	3.285	0	50	BGAA	
Cc1cc(Br)c(C(=O)O)cc1Cl	205497528	PXQCKTGVABRZLN-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	in-vitro
CCCC[C@@H](C)C(=O)N1CCC(F)(F)CC1	239366983	AHDUYYVHEWOFGW-SNVBAGLBSA-N	233.302	3.070	0	50	BGAA	
COC(=O)C1(CSc2ccccc2C)CC1	260059028	PHNVJOHRUTYEEN-UHFFFAOYSA-N	236.336	3.040	0	50	BGAA	
CCCCOc1cc(O)cc(Cl)c1	261494281	UCPUYHJJSUWKII-UHFFFAOYSA-N	200.665	3.225	0	50	BGAA	
COC(=O)Oc1cc(C)c(S[C]=N)cc1C	409415862	HYCGTRNPVIOLOZ-UHFFFAOYSA-N	238.288	3.025	0	50	BGAA	
Brc1cccc2[nH]c3ccncc3c12	575440645	AQVVGJGWWRZZKM-UHFFFAOYSA-N	247.095	3.479	0	50	BGAA	
Cc1ccnc(NC(=O)C2(C)CCC2)c1C1CC1	622925996	ZLTITCPXYGBTJN-UHFFFAOYSA-N	244.338	3.396	0	50	BGAA	
c1ccc(Cc2ncoc2-c2ccccn2)cc1	2356151314	CLRXYNAHKKGEHT-UHFFFAOYSA-N	236.274	3.327	0	50	BGAA	
CCCc1cc(=O)oc2cc(OCC)ccc12	237754	KAVXFUQHTJCZGV-UHFFFAOYSA-N	232.279	3.144	0	50	BGAA	biogenic
Cc1cc(C)c2c(Br)nsc2n1	335542	GQVKRDRDFJTFEZ-UHFFFAOYSA-N	243.129	3.071	0	50	BGAA	
CC[C@H](C)c1ccc(NC(=O)CC(C)=O)cc1	462621	MENBMIDWRMRXHX-JTQLQIEISA-N	233.311	3.118	0	50	BGAA	
CCCNC(=O)Nc1c(CC)cccc1CC	2172021	FBXOQVGKOVNNQR-UHFFFAOYSA-N	234.343	3.343	0	50	BGAA	
Cc1ccccc1-c1ccc(C(=O)O)cc1	2574058	NDNIPPKLIDCYGD-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	
Cc1cc(C(=O)N[C@H](C)C(C)(C)C)cs1	4750172	UFGIWWHMRARPHK-SECBINFHSA-N	225.357	3.221	0	50	BGAA	
CSc1ccc(CNCc2cccnc2)cc1	4843376	XXZYEQMOACQUFD-UHFFFAOYSA-N	244.363	3.093	0	50	BGAA	
Cc1ccccc1C(=O)N(C)C1CCCC1	32845564	PGAFPRCDNQGJBI-UHFFFAOYSA-N	217.312	3.010	0	50	BGAA	
Cc1ccc2c(N)c(-c3ccncc3)sc2n1	40266644	RSRXYUUZLSYOEP-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
COC(=O)c1ccc(-c2ccc(F)cc2F)cc1	97756959	QXKIBABMVWKPEO-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CCC(C)(C)Nc1ccc(NC(C)=O)cc1	257355111	MEEVHSFMXIMMMR-UHFFFAOYSA-N	220.316	3.246	0	50	BGAA	
Fc1ccc(Br)c2occc12	16159059	IYRKPHRAECMQTJ-UHFFFAOYSA-N	215.021	3.334	0	50	BGAA	in-vitro
C[C@]12N[C@H](Cc3ccccc31)c1ccccc12	25757829	LBOJYSIDWZQNJS-CVEARBPZSA-N	221.303	3.151	0	50	BGAA	in-man
CCc1ccccc1OCCNCc1ccoc1	53587658	JVPHONYJQPBARB-UHFFFAOYSA-N	245.322	3.011	0	50	BGAA	
Cc1nc2c(Br)cc(Cl)cc2[nH]1	71791188	CXMZJEHRYZRXJA-UHFFFAOYSA-N	245.507	3.287	0	50	BGAA	in-vitro
Clc1nncc2cc(Br)ccc12	85210512	GHENEHYQUQKATD-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
COC(=O)c1cc(-c2ccccc2)cnc1Cl	97757290	CVPJNBWQEZOTRU-UHFFFAOYSA-N	247.681	3.189	0	50	BGAA	
c1cncc(CCCCc2cccnc2)c1	114461395	DLFYNOAHPAVUON-UHFFFAOYSA-N	212.296	3.042	0	50	BGAA	
CC(C)(O)c1cc(Br)ccc1Cl	142461453	WPXONSYGPGWBPM-UHFFFAOYSA-N	249.535	3.330	0	50	BGAA	
Fc1ccccc1OCCNC[C@H]1CC=CCC1	346728030	BBPXHDZARJMAHB-ZDUSSCGKSA-N	249.329	3.150	0	50	BGAA	
CCc1nc(-c2ccccc2OCC(C)C)n[nH]1	426441682	BTCSJTFYARXQHB-UHFFFAOYSA-N	245.326	3.069	0	50	BGAA	
Cc1cc(C=O)ccc1-c1ccc(C(=O)O)s1	725261243	YPKTXWFJOPZKNF-UHFFFAOYSA-N	246.287	3.234	0	50	BGAA	
CC12CCC(CSc3ncco3)(CC1)CO2	1616035302	WTZITHDPEDEDLR-UHFFFAOYSA-N	239.340	3.116	0	50	BGAA	
Cc1cc(Br)c(C)nc1Cl	1857775478	WJYWIIKJRQAUEB-UHFFFAOYSA-N	220.497	3.114	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)c1cccnc1	38978	IGPVOZRRFGYTIH-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
O=C(CCC1CCCCC1)NC1CCCC1	312156	KYCRYJUUPPZLFF-UHFFFAOYSA-N	223.360	3.406	0	50	BGAA	
COc1ccc(NC(=O)c2ccccc2C)cc1	347339	UNUVMKPIDQGEKC-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CCCc1nc2ccccc2nc1Cl	12137935	ALUNCYJXRIEIQJ-UHFFFAOYSA-N	206.676	3.236	0	50	BGAA	
Nc1ccc(Cl)cc1C(=O)c1ccc(F)cc1	26439332	OYBRKOIWKRMOPW-UHFFFAOYSA-N	249.672	3.292	0	50	BGAA	
COC1[C@]23CCC[C@]2(C3)C(OC)[C@@]23CCC[C@@]12C3	45071065	LYGNJVSNKRVTCT-UEJRTQLPSA-N	248.366	3.151	0	50	BGAA	
O=C(Nc1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2	101511423	QZIDWXBIANPTBJ-GARJFASQSA-N	233.286	3.200	0	50	BGAA	
COc1cc(Cl)c(C=O)cc1OC1CCC1	211722105	HYKHCRQABRFYBG-UHFFFAOYSA-N	240.686	3.092	0	50	BGAA	
COc1ccc2c(c1N)[C@H](C)CC2(C)C	669375145	SHYNFCGMRJMBMS-MRVPVSSYSA-N	205.301	3.062	0	50	BGAA	
Nc1ccc(SCc2ccco2)cc1	2538738	AZVAAZQIUQJVOG-UHFFFAOYSA-N	205.282	3.154	0	50	BGAA	in-vitro
CC(=O)c1ccc(NC(=O)c2ccoc2C)cc1	2741763	DEKMYUAIWZBYKU-UHFFFAOYSA-N	243.262	3.043	0	50	BGAA	
C[C@@H](O)Cn1c2ccccc2c2ccccc21	3880604	ILZPUGYJDHJVNY-LLVKDONJSA-N	225.291	3.175	0	50	BGAA	biogenic
CCCCNC(=S)Nc1ccccc1Cl	4685193	VTTSHONQSPQKKV-UHFFFAOYSA-N	242.775	3.427	0	50	BGAA	
Cc1ccc(-n2ncc(C(=O)O)c2C(C)C)cc1	6775547	VWUWIEZEBLTGHG-UHFFFAOYSA-N	244.294	3.002	0	50	BGAA	in-vitro
Cc1cc(-c2ccc(Br)cc2)[nH]n1	13571611	WANDSSMDLLHHCJ-UHFFFAOYSA-N	237.100	3.148	0	50	BGAA	in-vitro
COc1ccc(C[C@@H](C)NCc2ccco2)cc1	23282636	PRMMWMJURSAYBN-GFCCVEGCSA-N	245.322	3.009	0	50	BGAA	
CCC/C=C/c1nccc(NC(C)C)n1	67868387	PWOIPVPSZKUIEL-VOTSOKGWSA-N	205.305	3.110	0	50	BGAA	
CC(C)(C)OC(=O)N1CCC(=O)c2ccccc21	70601192	UIFOUBFGWSHWLM-UHFFFAOYSA-N	247.294	3.015	0	50	BGAA	in-vitro
COc1cc2c(Cl)nc(Cl)nc2cc1F	95629936	GDHHZQMPTVSQOJ-UHFFFAOYSA-N	247.056	3.084	0	50	BGAA	
C[C@@H](N[C@H]1CCOc2ccccc21)C1CCC1	128478806	QKZAJWIGGIVQIC-RISCZKNCSA-N	231.339	3.288	0	50	BGAA	
C[C@@H](NC(=O)c1ccsc1)C1=CCCCC1	670434592	DRIOXFLSRVRFNN-SNVBAGLBSA-N	235.352	3.367	0	50	BGAA	
CC(C)(C)OC(=O)Cc1ccc2ncsc2c1	725326516	MMCVJYXBAISKHW-UHFFFAOYSA-N	249.335	3.181	0	50	BGAA	
c1ccc(Cn2ccnc2-c2cncs2)cc1	1940195824	OUGHHIUFFPIUPT-UHFFFAOYSA-N	241.319	3.055	0	50	BGAA	
C/C=C/c1c(O)c(OC)c(Cl)c(O)c1Cl	2332919354	URNJDDRKFQQTOO-ONEGZZNKSA-N	249.093	3.446	0	50	BGAA	
C[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1	29234	JLONTIZITXBHKW-SNVBAGLBSA-N	237.730	3.212	0	50	BGAA	
O=C(Nc1cccc2ccccc12)c1cccnc1	3157529	OZOFJVFWGZHBHV-UHFFFAOYSA-N	248.285	3.487	0	50	BGAA	
C(=C/c1nc(-c2ccccn2)no1)\c1ccccc1	4504046	MTZFLQJRUNMNHS-MDZDMXLPSA-N	249.273	3.302	0	50	BGAA	
Cc1cccc(-c2cc(C(=O)O)ccc2F)c1	49821586	MDMVUKAUZUEYPS-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
CN(C)C(=O)c1ccc(/C=C/C(C)(C)C)cc1	96136636	AGCICLNDIMVKSA-ZHACJKMWSA-N	231.339	3.448	0	50	BGAA	
COc1c(F)ccc(Br)c1Cl	139498411	KLQJSFYBGVQPLN-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
Fc1ccc2occ(Br)c2c1	215405577	IFVFKSWGVOIEIM-UHFFFAOYSA-N	215.021	3.334	0	50	BGAA	
C[C@@]1(C(=O)O)[C@@H]2c3cccc4cccc(c34)C[C@H]21	229837541	SBNNFLCOHKDHPS-XPKDYRNWSA-N	238.286	3.200	0	50	BGAA	
Oc1ccc(Oc2cccc(Cl)c2)nc1	238728342	GGTMMYCKFLJKRR-UHFFFAOYSA-N	221.643	3.233	0	50	BGAA	
COc1ccc(N)c2c1C(C)(C)C[C@H]2C	669374660	MBDLZXFKVFIHTC-MRVPVSSYSA-N	205.301	3.062	0	50	BGAA	
Cc1ccc(C)c(-c2c(C)nn3c2NCCC3)c1	1506397795	CVZCUOCNBMXRCY-UHFFFAOYSA-N	241.338	3.291	0	50	BGAA	
COC(=O)c1sccc1OCc1ccccc1	169592	HYPDTMLOYBAWGP-UHFFFAOYSA-N	248.303	3.114	0	50	BGAA	in-vitro
COc1ccc(-c2cccc(C=O)c2)cc1	1257551	MMXLQHMKFDEKHM-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
O=Cc1ccc(OC(F)(F)F)c(Cl)c1	2382252	SDBUQQVMQXOGBO-UHFFFAOYSA-N	224.565	3.051	0	50	BGAA	
CCCCN(CC)C(=O)c1ccc(F)cc1	2993035	NPXNCORKFJPDEJ-UHFFFAOYSA-N	223.291	3.088	0	50	BGAA	
C/C=C/[C@@](F)(Cl)C(F)(F)Br	3070105	QQVDBKBIOLTXSK-ZPYNKGFJSA-N	237.446	3.455	0	50	BGAA	
O=C(c1c[nH]c2ccccc12)C(F)(F)Cl	5517895	MXXYFOSZDWVDKT-UHFFFAOYSA-N	229.613	3.182	0	50	BGAA	
Cc1ccc(C(=O)N2CCCCCC2)s1	16606114	BEPLXNDKFWNGCH-UHFFFAOYSA-N	223.341	3.073	0	50	BGAA	
O=C(c1ccccc1)[C@@H]1O[C@@H]1c1ccccc1	139139	UQGMJZQVDNZRKT-CABCVRRESA-N	224.259	3.009	0	50	BGAA	in-vitro
c1ccc2[nH]c(SN3CCCCC3)nc2c1	244330	OQXJJUZITCLMST-UHFFFAOYSA-N	233.340	3.056	0	50	BGAA	
Cc1ccccc1NCC(=O)c1ccccc1	349362	VXRVZPMCCPTDEQ-UHFFFAOYSA-N	225.291	3.290	0	50	BGAA	
COC(=O)c1cc(-c2ccc(OC)cc2)cs1	1495971	SAOYXGRSZLKPPP-UHFFFAOYSA-N	248.303	3.210	0	50	BGAA	
CC[C@@H](C)NCCOc1ccc(C)c(C)c1	2822286	PPPFNGAGZJHJKP-CYBMUJFWSA-N	221.344	3.070	0	50	BGAA	
CC[C@@H](C)c1ccccc1NC(=O)N(C)C	4740534	PLWAIKIALLNNPE-SNVBAGLBSA-N	220.316	3.294	0	50	BGAA	
COC(C)(C)CCC[C@H](C)C(=O)OC(C)C	22015489	MAJLFFSJNUGTPT-NSHDSACASA-N	230.348	3.169	0	50	BGAA	
Oc1cccc2c(Br)cccc12	39208741	VVBDRNNSHAFBJW-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	
COc1ccc(C(F)(F)C(F)(F)F)cc1	39320521	OYAYJSSZNWHFQH-UHFFFAOYSA-N	226.144	3.349	0	50	BGAA	
O=C(O)c1ccc(-c2ccccc2O)cc1Cl	65349545	NOFMDQISUTYLFX-UHFFFAOYSA-N	248.665	3.411	0	50	BGAA	in-vitro
O=C(O)Cc1ccccc1Cc1ccc(F)cc1	137278125	SUIOLLGUOHLBPS-UHFFFAOYSA-N	244.265	3.044	0	50	BGAA	
Clc1nc(-c2ccncc2)cc2cnccc12	140062833	JALZVPARZAJMOE-UHFFFAOYSA-N	241.681	3.345	0	50	BGAA	
O=C(O)C(F)(F)c1cc(Cl)cc(Cl)c1	238676270	MUAXKRKJDNBVTD-UHFFFAOYSA-N	241.020	3.170	0	50	BGAA	
CC(C)[C@H]1C[C@H](CNCc2ccccc2)CCO1	352722968	ONQNIRTUGAXORU-HZPDHXFCSA-N	247.382	3.227	0	50	BGAA	
CCCCOc1cn(C(C)(C)C)nc1C(C)=O	408516248	CWQBZSXBBJTZNF-UHFFFAOYSA-N	238.331	3.020	0	50	BGAA	
C1=C(CN2CCC(c3cc[nH]n3)CC2)CCCC1	450327212	AYTIELMRXJVGBJ-UHFFFAOYSA-N	245.370	3.090	0	50	BGAA	
CCCc1cc(=O)oc2c(C)c(OC)ccc12	186414	NUMKMFMAYCZVDX-UHFFFAOYSA-N	232.279	3.063	0	50	BGAA	biogenic
COc1ccccc1Oc1cccc(C(=O)O)c1	1766284	KDDDUAZESJTRQZ-UHFFFAOYSA-N	244.246	3.186	0	50	BGAA	
Cc1c(F)ccc(Br)c1F	2529894	AISIRIFPPGLTCY-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
S=C(NC1CCCCCC1)NC1CCCC1	2836882	WELJBUXHHWPBNG-UHFFFAOYSA-N	240.416	3.116	0	50	BGAA	
CC(C)Cn1cc(C=O)c2ccccc21	2994319	FYPAEEAXXGSBFC-UHFFFAOYSA-N	201.269	3.110	0	50	BGAA	in-vitro
CCC(=O)Nc1cc(C(C)(C)C)ccc1OC	16604890	NNJNJCRSNBINFO-UHFFFAOYSA-N	235.327	3.341	0	50	BGAA	
Fc1ccc(Br)c(OC(F)F)c1	39325877	BZXMUSAMMGLTMI-UHFFFAOYSA-N	241.006	3.190	0	50	BGAA	in-vitro
O[C@H]1c2ccccc2COc2ccc(Cl)cc21	59406031	KPISOXYKMBURHE-AWEZNQCLSA-N	246.693	3.314	0	50	BGAA	
Cc1ccc(-c2cccc([C@H](C)N(C)C)c2)nn1	65398727	KUDCREAFNUKHAO-LBPRGKRZSA-N	241.338	3.075	0	50	BGAA	
Cc1nc(-c2cccc(C(F)(F)F)c2)c[nH]1	65433305	JYXPXYVMVWBWQR-UHFFFAOYSA-N	226.201	3.404	0	50	BGAA	
CC(C)(C)c1ccc(OC[C@@H](N)C2CC2)cc1	69082027	IFJFNLCBYSDDAK-CQSZACIVSA-N	233.355	3.100	0	50	BGAA	
Cc1nc(-c2ccccc2O)c(C)s1	84847084	USEIKZJSIKCYCW-UHFFFAOYSA-N	205.282	3.133	0	50	BGAA	
Cc1ccccc1OCCCNCCC(C)C	96026764	UAKBFQXWDPOAIG-UHFFFAOYSA-N	235.371	3.400	0	50	BGAA	
COc1cc(Br)cc(F)c1Cl	114876110	LWXJTVPIAGWACZ-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
CCCN(C)[C@H]1C[C@@H](OCC)C12CCCCC2	225388269	QIAZITDQGOOBER-UONOGXRCSA-N	239.403	3.456	0	50	BGAA	
C[C@@H]1CN(Cc2ccccn2)[C@H]1c1ccccc1	245421329	HWXBOJNGFJCKRW-CZUORRHYSA-N	238.334	3.275	0	50	BGAA	
c1cc2c(cc1SCc1csnn1)CCC2	408516429	XSTUUDZWPNFTDD-UHFFFAOYSA-N	248.376	3.319	0	50	BGAA	
CC1=CC(C)(C)N2COC(=O)c3cc(C)cc1c32	618257510	YTNAQDBHPJRQOL-UHFFFAOYSA-N	243.306	3.125	0	50	BGAA	
O=C1NC2(CCCCCC2)Cc2ccccc21	52336	PHFZTRWMBRIDCU-UHFFFAOYSA-N	229.323	3.066	0	50	BGAA	
COc1ccc(CNCc2ccccc2F)cc1	267291	NQYDNUKRKWAKET-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	in-vitro
CCCN1CCC(N2CCCCCCC2)CC1	279474	COBYVRAEKUJFJY-UHFFFAOYSA-N	238.419	3.127	0	50	BGAA	
Cc1ccc(CNC(=O)c2cccc(C)c2)cc1	362050	SCCAOKKNJVDKPE-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
CCCSCC(=O)Nc1ccc(C)cc1C	1910751	QYKUCVGBPOFUHA-UHFFFAOYSA-N	237.368	3.385	0	50	BGAA	
OC[C@H]1Cc2ccc(cc2)CCc2ccc1cc2	3124714	SDGZYFHXEBQLNV-QGZVFWFLSA-N	238.330	3.104	0	50	BGAA	
Nc1nc2ccc(Cl)c(Cl)c2s1	6091800	YKHFWFMWXBZUHK-UHFFFAOYSA-N	219.096	3.185	0	50	BGAA	in-vitro
OCc1cc2cc(Cl)ccc2nc1Cl	11727617	RGVUMJRZROPQIV-UHFFFAOYSA-N	228.078	3.034	0	50	BGAA	in-vitro
O=Cc1csc(-c2cccc(Cl)c2)n1	12370328	XMXWYXGIKFBCGR-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	in-vitro
CCCCOc1ncccc1Br	42376463	REBQFLFAGFDTGJ-UHFFFAOYSA-N	230.105	3.023	0	50	BGAA	
NCC1(c2ccc(Cl)s2)CCCC1	45205687	SDEPTTJHGCVMGQ-UHFFFAOYSA-N	215.749	3.172	0	50	BGAA	
Cc1ccc([S@](=O)C2(Cl)CCC2)cc1	95627062	LKIJGSBUPSBDQN-CQSZACIVSA-N	228.744	3.222	0	50	BGAA	
Oc1ccc([C@H]2C[C@@H]2C(F)(F)F)cc1	95628908	WXLGNOWXNNXPDY-BDAKNGLRSA-N	202.175	3.058	0	50	BGAA	
CCOC(=O)/C=C(/c1ccccc1)C(F)(F)F	145552258	SNOHGJYJJUSAKS-NTMALXAHSA-N	244.212	3.195	0	50	BGAA	
CC[C@@H](C)CN1Cc2ccccc2CCC1=O	2356148829	VCGZNZSBMHDXQD-GFCCVEGCSA-N	231.339	3.008	0	50	BGAA	
FC(F)Oc1ccc(Br)cc1	153335	ORIYZUFTROJBQJ-UHFFFAOYSA-N	223.016	3.051	0	50	BGAA	in-vitro
Cc1ccc(C(O)c2ccc(C)cc2)cc1	1870684	RGYZQSCFKFDECZ-UHFFFAOYSA-N	212.292	3.385	0	50	BGAA	in-vitro
O=C(Nc1nccs1)[C@@H]1[C@H]2C=CCCCC[C@@H]12	4809964	QVRUJMJSJXRQQT-HBNTYKKESA-N	248.351	3.074	0	50	BGAA	
C=C(Cl)Nc1cc(Cl)ccc1C(=O)OC	5669711	KIKXEEDMAIENMD-UHFFFAOYSA-N	246.093	3.249	0	50	BGAA	
COc1ccc(Nc2cc(C)ncn2)cc1Cl	11902768	YMAIQPSWIQKFHP-UHFFFAOYSA-N	249.701	3.191	0	50	BGAA	
O=Cc1cnc(-c2cccc3ccccc23)nc1	14608602	PFXITZIWRQYRTP-UHFFFAOYSA-N	234.258	3.109	0	50	BGAA	
O=C(CCc1ccccc1)c1ccc(O)cc1	34290985	BHWYSWYRTKETRK-UHFFFAOYSA-N	226.275	3.208	0	50	BGAA	
CCC[C@@H](C)NC(=O)CCc1ccc(F)cc1	72446880	CMBNFZDGIRLONB-LLVKDONJSA-N	237.318	3.063	0	50	BGAA	
CC(C)Oc1ccc2cc(C(=O)O)sc2c1	111644429	IVJKUVSKUZSJBA-UHFFFAOYSA-N	236.292	3.387	0	50	BGAA	
O=C(O)[C@@H]1CC=C(c2ccc(F)cc2)CC1	145159587	YZFUTZKSYPKHLX-LLVKDONJSA-N	220.243	3.094	0	50	BGAA	
Cc1occc1-c1nnc(NCC(C)(C)C)o1	191522804	GXIPDPVHOOVXAH-UHFFFAOYSA-N	235.287	3.096	0	50	BGAA	
Brc1cnc2[nH]c3ccccc3c2c1	220821226	DJYTWNRGOGEHRM-UHFFFAOYSA-N	247.095	3.479	0	50	BGAA	
NCc1cc(OC(F)F)cc(Cl)c1Cl	263624395	QBVJQBIPTONLAU-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
CC(C)(NCc1ccc(F)cn1)c1ccccc1	276414234	WBTDUJKARAKMAN-UHFFFAOYSA-N	244.313	3.246	0	50	BGAA	
Cc1nc2ccccc2n1-c1ccccc1	90644	MGKPDVRJFZOSFV-UHFFFAOYSA-N	208.264	3.334	0	50	BGAA	in-vitro
COc1ccc(CNCc2cccc(F)c2)cc1	293006	SAEBHLLFWLCZQP-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	in-vitro
CCc1cc(=O)oc2cc(OC)c(Cl)cc12	301713	CRAZJYDARWVSQA-UHFFFAOYSA-N	238.670	3.017	0	50	BGAA	biogenic
CCC(O)(c1ccccc1)c1ccccc1	1733990	OIYMUIUXMYAXIX-UHFFFAOYSA-N	212.292	3.333	0	50	BGAA	
CCCOc1ccc2c(C)cc(=O)oc2c1C	2841272	GBEJSBKDGPVELN-UHFFFAOYSA-N	232.279	3.199	0	50	BGAA	
Cc1ccc(-n2cccc2C=O)cc1Cl	3676298	ZFAIXYQSMZDJFJ-UHFFFAOYSA-N	219.671	3.252	0	50	BGAA	in-vitro
CCCCc1ccc2[nH]c(C(=O)O)cc2c1	3748660	QNWIFBVZIWKJJC-UHFFFAOYSA-N	217.268	3.209	0	50	BGAA	in-vitro
Cc1cccc(C(O)c2cccc(C)c2)c1	4255604	CGPXLLRHBDRBPU-UHFFFAOYSA-N	212.292	3.385	0	50	BGAA	biogenic
CC(C)C(=O)c1cn(C)c2ccccc12	9239745	NEFVXRCGPRMBGR-UHFFFAOYSA-N	201.269	3.017	0	50	BGAA	
Cc1cccc([C@@H]2NCCc3ccccc32)c1	11597142	NLRPAYVOSIARFS-INIZCTEOSA-N	223.319	3.230	0	50	BGAA	
Cc1ccc([C@@H](CN)c2ccccc2)cc1	15020682	ZYFLABCDJVBRMZ-HNNXBMFYSA-N	211.308	3.086	0	50	BGAA	
Cc1cccc(C)c1NC(=O)[C@@H]1CC1(C)C	158394689	VOEGLKHYJWFUJI-NSHDSACASA-N	217.312	3.288	0	50	BGAA	
c1ccc(C2=Nc3ccccc3NC2)cc1	196197884	NLKINWOSVGBCSV-UHFFFAOYSA-N	208.264	3.233	0	50	BGAA	
C1=CC[C@@H](CN(Cc2nccs2)C2CC2)CC1	215490478	JSGDCXXYXBHPDL-GFCCVEGCSA-N	248.395	3.464	0	50	BGAA	
Cc1cc(CN2CCC[C@@H]3CCCC[C@H]32)no1	248877563	RHQUDISNHHNXOT-GXTWGEPZSA-N	234.343	3.138	0	50	BGAA	
OCc1ccc(OC(F)F)c(Cl)c1Cl	263622912	BZFJAYWEGCKUGO-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
CCCN1CC=C(c2ccc(Cl)nc2)CC1	378396086	NQQVZVPFEYUFJC-UHFFFAOYSA-N	236.746	3.234	0	50	BGAA	
C[C@@H](c1ccncc1)N(C)C(=O)CC1=CCCC1	1857688708	XQHYXWLCPQNQOD-LBPRGKRZSA-N	244.338	3.101	0	50	BGAA	
C[C@H]1CCc2c(sc3[nH]cnc(=S)c23)C1	142877	RBWNDBNSJFCLBZ-LURJTMIESA-N	236.365	3.479	0	50	BGAA	
CC(C)(C)c1cc(-c2cc(C(C)(C)C)[nH]n2)n[nH]1	198521	WLQYNNUYUHUWEJ-UHFFFAOYSA-N	246.358	3.395	0	50	BGAA	
COC(=O)c1ccccc1NCc1cccs1	281114	ZLYCRMIDMCIKDZ-UHFFFAOYSA-N	247.319	3.147	0	50	BGAA	
C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(F)cc1	292724	KIWHZRFCFCZUKI-QWRGUYRKSA-N	235.302	3.229	0	50	BGAA	
Clc1ncccc1OCc1ccccc1	334978	QLLRUGRNZMPUIW-UHFFFAOYSA-N	219.671	3.314	0	50	BGAA	
Cc1ccc(C)c([C@H](C)CCC(=O)O)c1	401299	KCAYTEGULDUFEJ-LLVKDONJSA-N	206.285	3.272	0	50	BGAA	biogenic
CC[C@@H](C)c1ccc(NC(=S)NC)cc1	2884148	AWANUZFXCPEGRU-SECBINFHSA-N	222.357	3.116	0	50	BGAA	
CC(C)Cc1noc(-c2ccc3cc[nH]c3c2)n1	20598180	IXPXDHBUMMCIOM-UHFFFAOYSA-N	241.294	3.416	0	50	BGAA	
Cc1ccc(-c2ccccc2)c(C(=O)O)c1	32002776	UUBWFNDPWDNPTE-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	in-vitro
Fc1ccc(Br)c(F)c1S	71792181	CVDCZAPKSXXRGU-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CCC(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21	72115597	ZLXZAQKBKPONRA-GFCCVEGCSA-N	247.338	3.123	0	50	BGAA	
C[C@H]([C@H](C(=O)O)c1ccccc1)C(F)(F)F	117566078	NAADEMIOIIBNMB-APPZFPTMSA-N	232.201	3.053	0	50	BGAA	
C/C(=C\c1cccc(Cl)c1)C(=O)N1CCCC1	179316928	VKTRAIZCVWTGIH-PKNBQFBNSA-N	249.741	3.366	0	50	BGAA	
O=C1CCc2cc(Br)cc(Cl)c21	238565515	FPRQFNQYLBNEOH-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
Cc1occc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2	245200740	CIZHXHVTJZNVTD-GASQSECBSA-N	247.338	3.143	0	50	BGAA	
O=Cc1cc(F)cc(Br)c1Cl	263620171	MELBOBDPFXOLBX-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
Brc1ccc2c(c1)NCCSC2	2325895317	XHKLQAPASCYLTD-UHFFFAOYSA-N	244.157	3.108	0	50	BGAA	
O=C(O)C(F)=C1c2ccccc2-c2ccccc21	330719	YDSLTTPUTLNZHT-UHFFFAOYSA-N	240.233	3.481	0	50	BGAA	
Cc1cc(F)ccc1NC(=O)c1ccoc1C	1054298	ZBLIFXUBHQIOEE-UHFFFAOYSA-N	233.242	3.288	0	50	BGAA	
CC(=O)c1ccc(Cl)cc1Br	2583423	URBATMJMOGHOCE-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
Cc1cccc(OCCNCc2ccccc2)c1	2821860	NXBDNBLQPFCSRG-UHFFFAOYSA-N	241.334	3.164	0	50	BGAA	
COC(=O)c1ccc(-c2ccc(C=O)s2)cc1	3883298	YWZJKUTYQOHLGQ-UHFFFAOYSA-N	246.287	3.014	0	50	BGAA	
Fc1ccc2nc(Br)sc2c1	11920207	GIANOUBNTGQAID-UHFFFAOYSA-N	232.077	3.198	0	50	BGAA	in-vitro
FC(F)(F)c1ccc([C@H]2CSCCN2)cc1	14808061	MPLQHRJLTSFLIN-SNVBAGLBSA-N	247.285	3.083	0	50	BGAA	
C[C@@H]1Cc2cc(-c3ccc(CN)cc3)ccc2O1	38073526	AKXOZCQBVRVPQB-LLVKDONJSA-N	239.318	3.136	0	50	BGAA	in-vitro
CC1(C)CNc2cc(Br)ccc21	39186874	JSMUHVSOFKGJID-UHFFFAOYSA-N	226.117	3.152	0	50	BGAA	in-vitro
O=C(Nc1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2	101511426	QZIDWXBIANPTBJ-DCAQKATOSA-N	233.286	3.200	0	50	BGAA	
CCc1sc(N)nc1-c1ccccc1C	258186118	COCBYAGDBPCBIW-UHFFFAOYSA-N	218.325	3.263	0	50	BGAA	
Cc1n[nH]c(C)c1-c1cc2ncccc2s1	1875340132	NFRNWWMGODINKQ-UHFFFAOYSA-N	229.308	3.303	0	50	BGAA	
Cc1cccc(C)c1NC(=O)NCC(C)C	396771	DDQNCBKUFRVNTI-UHFFFAOYSA-N	220.316	3.081	0	50	BGAA	
Cc1ccc(SCCC(=O)N2CCCC2)cc1	469815	WKDKTLIJLHJGBT-UHFFFAOYSA-N	249.379	3.100	0	50	BGAA	
Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)o1	1056270	SNTFDXGJGQWDSQ-SNVBAGLBSA-N	241.290	3.179	0	50	BGAA	
COc1ccccc1NC(=O)c1cc(C)oc1C	1056640	FNDTYKOFSMEKLS-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
COc1ccc(COc2ccc(OC)cc2)cc1	5064199	JWUPAZZFJODIIU-UHFFFAOYSA-N	244.290	3.283	0	50	BGAA	
CC[C@H](NC(=O)C(C)(C)C)c1ccccc1	5337125	CAHHTVNATSMQDE-LBPRGKRZSA-N	219.328	3.300	0	50	BGAA	
Cc1cccc(CNC(=O)c2ccccc2F)c1	6207095	CPJSBTCOWGOMPE-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
CCOc1cccc(-c2n[nH]c(=S)n2CC)c1	6520010	HEOJESYDTKWBSS-UHFFFAOYSA-N	249.339	3.026	0	50	BGAA	
O=[S@@](O)c1c(Cl)ccc(Cl)c1Cl	66318983	INNHKWZMPBHFMQ-UHFFFAOYSA-N	245.514	3.227	0	50	BGAA	
CC(C)(C)c1noc(-c2ccnc(Cl)c2)n1	70451553	APIBJYWBDXROGR-UHFFFAOYSA-N	237.690	3.083	0	50	BGAA	in-vitro
CCOC(=O)c1cnc(C(C)(C)C)cc1Cl	91692427	PINCANJVFNERAF-UHFFFAOYSA-N	241.718	3.209	0	50	BGAA	in-vitro
Cc1ccc([S@@](=O)C2(Cl)CCC2)cc1	95627061	LKIJGSBUPSBDQN-AWEZNQCLSA-N	228.744	3.222	0	50	BGAA	
Oc1ccc(CN2CCCCC2)cc1Cl	132495271	NZYVTXMMWGRQNR-UHFFFAOYSA-N	225.719	3.032	0	50	BGAA	
CCCSc1nc(Cl)cc(Cl)n1	214490846	GJSKUPWUDKTHHN-UHFFFAOYSA-N	223.128	3.286	0	50	BGAA	in-vitro
CCCOc1cc(O)cc(C(F)(F)F)c1F	261493659	GQZWSHJVOFZQNB-UHFFFAOYSA-N	238.180	3.339	0	50	BGAA	
Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1	143001	PCTFHCZRFZZANY-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	in-vitro
CC(C)Nc1ccc(C(F)(F)F)cc1N	153407	ZNVHJHXDEMIHDL-UHFFFAOYSA-N	218.222	3.108	0	50	BGAA	in-vitro
CC(=O)Nc1ccc(Cl)cc1Br	334483	FXRJRUAYMSVQKU-UHFFFAOYSA-N	248.507	3.061	0	50	BGAA	
O=C(O)C1=CC2c3ccccc3C1c1ccccc12	346524	SLBPFXSUYSLDCM-UHFFFAOYSA-N	248.281	3.288	0	50	BGAA	
O=C1OC(c2ccccc2)=NC1=C1CCCCC1	2173024	OTXQQAAIQJZVKT-UHFFFAOYSA-N	241.290	3.208	0	50	BGAA	
C[C@@H]1CC(C)(C)O[C@H]([C@H]2CC=CCC2)O1	4124536	YVPPRQDLDOPKFY-GRYCIOLGSA-N	210.317	3.273	0	50	BGAA	
Cc1nc([C@@H]2CCOC(C)(C)C2)cs1	4795291	WBFXXJYCKPNBDU-SECBINFHSA-N	211.330	3.124	0	50	BGAA	
CC[C@@H](C)NC(=O)c1ccc(O[C@H](C)CC)cc1	10290997	VMGCUMAXMPPSGD-VXGBXAGGSA-N	249.354	3.392	0	50	BGAA	
CN1CC=C(c2c[nH]c3ccc(F)cc23)CC1	13731824	XFERGYRFFJXSGI-UHFFFAOYSA-N	230.286	3.026	0	50	BGAA	
O=Cc1ccccc1-c1ccc(C(=O)O)c(F)c1	65349692	OLOKKSUEGYFECT-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2ccccc2)c1C	65743381	HSBPPUMWUBCKIJ-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
O=C(O)c1cccc(Cl)c1C(F)(F)F	67800068	DAVGYAZXHZUVIQ-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	
O=C(O)c1cc(Cl)c2cc(Cl)ccc2n1	71025609	KBYSXQKAWAUVJZ-UHFFFAOYSA-N	242.061	3.240	0	50	BGAA	
Cc1c(Br)ccc2c(C=O)c[nH]c12	86033180	KLIIKDOYUDQXDR-UHFFFAOYSA-N	238.084	3.051	0	50	BGAA	
CCOc1ncc(C(F)(F)F)cc1Cl	95215857	IAARDOAOJIKJLL-UHFFFAOYSA-N	225.597	3.153	0	50	BGAA	in-vitro
O=C(O)CCC12CC3CC(CC(C3)C1)C2	107448	MQLZRIWOJRILDI-UHFFFAOYSA-N	208.301	3.068	0	50	BGAA	in-vitro
Cc1ccc2nc(-c3ccc(F)cc3)cn2c1	153302	WLMPCCSMVOBMIN-UHFFFAOYSA-N	226.254	3.449	0	50	BGAA	
Cc1ccc2nc(-c3ccc(N)cc3)[nH]c2c1	312358	BQAHOIQJVNOZKN-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	in-vitro
CCN(CC)C(=O)Sc1nc2ccccc2[nH]1	366407	FMRGSQTVFVKRAD-UHFFFAOYSA-N	249.339	3.117	0	50	BGAA	
C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCCCC1	395830	ANYYUZRBKJKUKO-YPMHNXCESA-N	238.375	3.197	0	50	BGAA	
Cc1ccc(C(=O)CCNc2ccccc2)o1	446210	BENDYJGQKDXZBF-UHFFFAOYSA-N	229.279	3.273	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)/C=C/c1ccccc1	450051	JLERSZGAPSNZTO-OCHBPSSRSA-N	229.323	3.101	0	50	BGAA	
Cc1cccnc1NCc1cccs1	4357182	RDNOIDFMMBNZRF-UHFFFAOYSA-N	204.298	3.064	0	50	BGAA	in-vitro
O=Cc1cc(-c2ccccc2)cnc1Cl	5059289	QBFNWWRKCSBZHD-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	
Cc1cc(C)nc(NC(=O)CC2CCCC2)c1	6390217	YTXMKGJWNUYVDE-UHFFFAOYSA-N	232.327	3.217	0	50	BGAA	
O=C(NCC1CCCCC1)c1cccc(F)c1	6926048	UQAAEVBOHQOPHJ-UHFFFAOYSA-N	235.302	3.136	0	50	BGAA	
Cc1ccnc(N[C@@H](C)c2ccc(F)cc2F)n1	95392334	FBIHNUOAHFLQLV-VIFPVBQESA-N	249.264	3.236	0	50	BGAA	
COc1ccc(OC(F)(F)F)cc1Cl	115111079	JWLBPRIUUAVSEG-UHFFFAOYSA-N	226.581	3.247	0	50	BGAA	
Fc1ccc(-c2ccccn2)c(F)c1F	115954242	RKGNWPYWRICEMN-UHFFFAOYSA-N	209.170	3.166	0	50	BGAA	
CC(C)(C)CCSc1nncs1	126123995	HUSGZTFQWIETBD-UHFFFAOYSA-N	202.348	3.066	0	50	BGAA	
CC(C)C(=O)N1[C@@H](C)[C@@H](c2ccccc2)C[C@H]1C	172741385	WXFMAQTUAOEMHJ-IPYPFGDCSA-N	245.366	3.436	0	50	BGAA	
Cc1ccc([C@H](C)N[C@H]2CC[C@H](O)CC2)s1	241262026	LARXAHZFOJQZRE-SRVKXCTJSA-N	239.384	3.011	0	50	BGAA	
CCCN1C[C@H](C)[C@](O)(c2ccccc2)C[C@H]1C	248001908	NZBMCFAPUPWLPQ-LZWOXQAQSA-N	247.382	3.015	0	50	BGAA	
CN(C)c1ccc(Cl)c(C(F)(F)F)c1	616568050	BMNGNYGTIQXUAJ-UHFFFAOYSA-N	223.625	3.425	0	50	BGAA	
Nc1ccc(-c2ccnc(C(F)F)c2)cc1	725273619	PMQVXEVZOIDCIH-UHFFFAOYSA-N	220.222	3.268	0	50	BGAA	
CS[C@H]1CC(=O)CC[C@@H]1C(C)(C)C	725359644	DVPYHKAOXUSYQU-UWVGGRQHSA-N	200.347	3.133	0	50	BGAA	
Clc1ccc(Cc2ccncc2)cc1	157033	OHKBVLWPESSWKC-UHFFFAOYSA-N	203.672	3.326	0	50	BGAA	
Cc1ccc(C(=O)NCc2cccs2)cc1C	376380	ZGLGNWGCSWKKAY-UHFFFAOYSA-N	245.347	3.295	0	50	BGAA	
CC(C)N(C(=O)Nc1ccc(F)cc1)C(C)C	395192	JEROJTIVMSCQBJ-UHFFFAOYSA-N	238.306	3.476	0	50	BGAA	
O=c1c2c([nH]c3ccccc13)-c1ccccc1C2	399013	VSSBKIZSYSOAIW-UHFFFAOYSA-N	233.270	3.099	0	50	BGAA	
CC(C)Oc1cccc(Br)c1	403355	JYWJZIQSPRFCDB-UHFFFAOYSA-N	215.090	3.236	0	50	BGAA	in-vitro
Cc1cccc([C@H](C)c2cnc[nH]2)c1C	4632106	CUHVIMMYOGQXCV-NSHDSACASA-N	200.285	3.178	0	50	BGAA	biogenic,fda
Cc1cc(NC(=O)Nc2ccc(C)c(C)c2)no1	6700148	VDTDYTVCDJVJIE-UHFFFAOYSA-N	245.282	3.244	0	50	BGAA	
Oc1ccccc1-c1cc(-c2ccco2)[nH]n1	13130078	VNCRDZGBWFUPGH-UHFFFAOYSA-N	226.235	3.042	0	50	BGAA	
CCOC(=O)c1cc(-c2ccccc2)n(C)c1C	16578492	ZKJLHTFXZXOFLV-UHFFFAOYSA-N	243.306	3.177	0	50	BGAA	
COc1ccc(-c2onc3c2CCCC3)cc1	39209111	AMRUDTLPWONPFX-UHFFFAOYSA-N	229.279	3.229	0	50	BGAA	
CCCNC(=O)C1(c2ccccc2)CCCC1	70192681	HLASHXKFWQXISY-UHFFFAOYSA-N	231.339	3.025	0	50	BGAA	
CCOC(=O)c1coc2ccc(Cl)cc12	71773608	CQHDKISUMTVOSI-UHFFFAOYSA-N	224.643	3.263	0	50	BGAA	
OC[C@@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13	101186978	VGFGSYOSQGRUNO-WNKDZCFJSA-N	234.298	3.005	0	50	BGAA	
Cc1cccc2nc(Cl)c(Cl)nc12	118862525	APGYEHZLFDBECC-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	
CCOc1ccc(F)c(Br)c1F	261494121	QIMHYSZPGLWSKA-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	
CC/C=C(\C)C(=O)N[C@H]1C[C@H]1C1CCCCC1	584907084	WRIZUOYFCPBRHU-OVGBVBOLSA-N	235.371	3.428	0	50	BGAA	
COc1cc(CSCc2ccco2)sn1	585118154	DQXNUEFEQANJCV-UHFFFAOYSA-N	241.337	3.178	0	50	BGAA	
CCN(Cc1cc(O)ccc1Cl)CC1CC1	625162203	VMMODGQHYBHYKA-UHFFFAOYSA-N	239.746	3.278	0	50	BGAA	
C=CC(=O)Nc1c(C(C)C)ccnc1C(C)C	1775997942	VQDLQVHAKYQFGK-UHFFFAOYSA-N	232.327	3.453	0	50	BGAA	
O=C(CCC1CCCCC1)NCc1cccnc1	174546	IGZJXGLPCSSZAT-UHFFFAOYSA-N	246.354	3.058	0	50	BGAA	
O=C(O)c1sc2cc(F)ccc2c1Cl	198793	HSRSWUJIPYUCSE-UHFFFAOYSA-N	230.647	3.392	0	50	BGAA	in-vitro
Cc1ccc(CNc2ccc(C(=O)O)cc2)cc1	259187	PSQNWDZFOPXXAN-UHFFFAOYSA-N	241.290	3.305	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)C1CCCC1	383528	YOKCBEZMIXZJTA-UHFFFAOYSA-N	223.703	3.469	0	50	BGAA	
O=c1c(Cl)nc(Cl)cn1C1CCCCC1	383887	BERXBWSTMOGSCG-UHFFFAOYSA-N	247.125	3.055	0	50	BGAA	
CCN(CC)P1OCc2ccccc2CO1	388525	JDAKPBBWYIWXJF-UHFFFAOYSA-N	239.255	3.302	0	50	BGAA	
Cc1occc1C(=O)NCc1ccc(Cl)cc1	433910	ROWAVNGLRYVWIV-UHFFFAOYSA-N	249.697	3.171	0	50	BGAA	
COc1ccccc1NC(=O)c1ccc(C)s1	1056494	YGFVRXPLZXLLQU-UHFFFAOYSA-N	247.319	3.317	0	50	BGAA	
Clc1cccc(SCC2CCNCC2)c1	2529360	WBTRSCCVDWXZPM-UHFFFAOYSA-N	241.787	3.432	0	50	BGAA	
CC[C@H](C)c1ccc(-n2c(C)nnc2S)cc1	6394367	OTMYQSMNRJRERR-VIFPVBQESA-N	247.367	3.378	0	50	BGAA	
O=C(Nc1ccc(F)c(Cl)c1)N1CCCC1	6725496	DCZSETNAKWXGMR-UHFFFAOYSA-N	242.681	3.107	0	50	BGAA	
C[C@@]1(c2ccccc2)NCCc2ccccc21	31417652	TUTBQGAMVCUYQM-INIZCTEOSA-N	223.319	3.096	0	50	BGAA	
Oc1ccc(Oc2ccccc2F)cc1	39343935	JLVGTPXAULRILB-UHFFFAOYSA-N	204.200	3.324	0	50	BGAA	
N[C@@H]1CCC[C@H]1c1ccc(Br)cc1	116757579	PUUZJUIUNQZUKQ-WDEREUQCSA-N	240.144	3.044	0	50	BGAA	
C[C@@H](c1nc(COc2ccccc2)no1)C1CC1	177720609	RQONCZALMXNFDH-SNVBAGLBSA-N	244.294	3.162	0	50	BGAA	
CC(C)Oc1cccc(F)c1Br	261494376	WARRFVLJFBKBHZ-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	
CNC(=O)c1cccc(/C=C/C2CCCCC2)n1	426409003	PZMAZTZPJACBNK-ZHACJKMWSA-N	244.338	3.035	0	50	BGAA	
CN(C(=O)CCc1ccccc1)c1ccccc1	30598	KQDZRVPLZXCDNF-UHFFFAOYSA-N	239.318	3.282	0	50	BGAA	
O=C(Nc1ccccc1)C1[C@H]2CCCC[C@H]12	300929	VBYMQHDNZUYHLT-RYUDHWBXSA-N	215.296	3.061	0	50	BGAA	
CCOc1ccccc1NC(=O)NC1CCCC1	399280	BVILNIGJIRUMFE-UHFFFAOYSA-N	248.326	3.149	0	50	BGAA	
CC(C)(C)OC(=O)n1ccc2ccccc21	403367	OWPIFQXNMLDXKW-UHFFFAOYSA-N	217.268	3.425	0	50	BGAA	in-vitro
OCc1cccc(-c2cccc(Cl)c2)c1	1256826	ZCFMILDJVAAINR-UHFFFAOYSA-N	218.683	3.499	0	50	BGAA	
Cc1cc2nc(-c3ccccc3)cc(C)n2n1	6690930	ZDTXDPLOLWCVQQ-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	
Cc1ccc(NC(=O)Nc2cccnc2)cc1F	13320300	SCHMSZYNSRYRIS-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
CC(C)C(NC(=O)C1CCCCC1)C(C)C	13716903	ADYKEDFUBNXAJY-UHFFFAOYSA-N	225.376	3.364	0	50	BGAA	
Brc1ccc2c(c1)NCCCC2	19795755	BVWMQZXXXWEDOY-UHFFFAOYSA-N	226.117	3.197	0	50	BGAA	
Brc1ccc(OCC2CC2)cc1	34614264	BDORYRCLPQIWHR-UHFFFAOYSA-N	227.101	3.238	0	50	BGAA	in-vitro
COc1cc(-c2ccccc2)ccc1C(=O)O	44199437	WRDIRXZLYQHBPH-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
FC(F)(Cl)C(Cl)(Cl)Cl	59179102	SLGOCMATMKJJCE-UHFFFAOYSA-N	203.830	3.188	0	50	BGAA	
Oc1ccc(C(F)(F)F)c(Br)c1	88190223	YWJMFYOMJODKJY-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
CC(C)(C)c1nnc(NCc2cccc(F)c2)o1	91877178	VVJKXPIXTLGFTM-UHFFFAOYSA-N	249.289	3.118	0	50	BGAA	
O=C(O)c1csc(C2CCCCC2)c1	144571001	IXCCTDMPNWUNBK-UHFFFAOYSA-N	210.298	3.494	0	50	BGAA	
C=COc1ccc(Br)c(C)c1	157061257	AMFKFKYFJROPJN-UHFFFAOYSA-N	213.074	3.280	0	50	BGAA	
CNC(=O)c1ccc(-c2ccccc2C)cc1	221909427	HYOYHFHVRCNBIC-UHFFFAOYSA-N	225.291	3.022	0	50	BGAA	
Cc1cc(C2(O)CCC2)ccc1Br	225357909	MFEMUUAFJWCBHY-UHFFFAOYSA-N	241.128	3.129	0	50	BGAA	in-vitro
FC(F)(F)c1ccccc1-c1cn[nH]c1	226135450	GPLUCLATGHTVKT-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	
Fc1cncc2cccc(Br)c12	253496214	WQUYQODCVVFRMV-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
Fc1cc(F)c2ncccc2c1Br	299805265	GPUKKKPHRXHKHH-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	
CS[C@@H]1CC(=O)CC[C@@H]1C(C)(C)C	725359645	DVPYHKAOXUSYQU-VHSXEESVSA-N	200.347	3.133	0	50	BGAA	
O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cccs1	128352	UDQIVIZMQAGWRK-NWDGAFQWSA-N	243.331	3.034	0	50	BGAA	
Cc1nc(C)c(C(=O)Nc2ccccc2)s1	239613	UDSJPFPDKCMYBD-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	in-vitro
Cc1cc(Cl)nc(-c2ccccc2)n1	300158	MOLLLUIWZOISLC-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	in-vitro
CC(C)[C@@H]1Cc2ccc([C@@H](C)C(=O)O)cc2C1	1846287	RYDUZJFCKYTEHX-ZWNOBZJWSA-N	232.323	3.246	0	50	BGAA	in-man
CCc1cc(C(=O)NC(C)(C)CC)cs1	2736096	GFZSFIRRNXYFSV-UHFFFAOYSA-N	225.357	3.229	0	50	BGAA	
Cc1ccc(OCCNC(C)(C)C)cc1C	2933386	BMRRNUNFXVGJJH-UHFFFAOYSA-N	221.344	3.070	0	50	BGAA	
CCCc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1	4651201	VLVMVGHDVLOQMO-SLEUVZQESA-N	245.366	3.472	0	50	BGAA	
CCOc1ccccc1C(=O)NC(CC)CC	4754408	UHWNYQKRVDINSX-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
CCCCSc1ccccc1C(=O)O	7262012	XBAKLNIZALFPMK-UHFFFAOYSA-N	210.298	3.277	0	50	BGAA	
COc1cccc(NC(=O)OC(C)(C)C)c1	7610499	CAJCPYDCXVZYBI-UHFFFAOYSA-N	223.272	3.042	0	50	BGAA	in-vitro
C[C@H]1CN(CC[C@H](C)c2ccccc2)C[C@@H](C)O1	16662938	PMGQZHMNKYVKJY-SOUVJXGZSA-N	247.382	3.289	0	50	BGAA	
c1cc2cc(-c3cnn(CC4CC4)c3)ccc2[nH]1	426595096	VKAWVMJLYCSHOP-UHFFFAOYSA-N	237.306	3.441	0	50	BGAA	
Cc1cc(Br)c(C)c2c1NCCC2	1857783115	QWKCCOQOESATKH-UHFFFAOYSA-N	240.144	3.424	0	50	BGAA	
CCCCNc1ccc2occc(=O)c2c1	2325772750	YRVHILSKSACUDG-UHFFFAOYSA-N	217.268	3.005	0	50	BGAA	
C=CC(=O)NC1(C[C@H](C)CC)CCCCC1	271414	XIGSJQNZABIWBQ-GFCCVEGCSA-N	223.360	3.428	0	50	BGAA	
O[C@@H](c1c[nH]c2ccccc12)C(F)(F)Cl	1399167	SPEZSIPKFIBCEP-VIFPVBQESA-N	231.629	3.033	0	50	BGAA	
Brc1csc([C@H]2CCCCN2)c1	6658337	XSRXNVIDIBCTTO-MRVPVSSYSA-N	246.173	3.325	0	50	BGAA	
CC(=O)CCC(=O)C12CC3CC(CC(C3)C1)C2	32920068	CLLTWXJATGPULX-UHFFFAOYSA-N	234.339	3.141	0	50	BGAA	
CC[C@@H]1CCc2ccccc2N1C(=O)C1CC1	177654952	UDSBUGBMMYLOFD-CYBMUJFWSA-N	229.323	3.154	0	50	BGAA	
Fc1cc(F)c2[nH]ccc2c1Br	231473391	UJXYLPBQFUZOSP-UHFFFAOYSA-N	232.027	3.209	0	50	BGAA	in-vitro
CCCc1cc(-c2cncc(C)c2)nc(C)n1	426422083	ZJPPTOLJTHPYID-UHFFFAOYSA-N	227.311	3.108	0	50	BGAA	
CC[C@@H]1C=CCN1C1CCN(C2CCCC2)CC1	952973677	RMBGLDZQBBHXQU-CQSZACIVSA-N	248.414	3.044	0	50	BGAA	
Nc1ccc(-c2nc3ccccc3o2)cc1	122960	XZYQBYQGHHGXBC-UHFFFAOYSA-N	210.236	3.077	0	50	BGAA	
c1ccc(CSc2cn3c(n2)CCC3)cc1	287062	MVZRNZSNBHONEQ-UHFFFAOYSA-N	230.336	3.122	0	50	BGAA	
Cc1sc2ccc3ccccc3c2[n+]1C	294936	MQFVWWGIAINZAB-UHFFFAOYSA-N	214.313	3.187	0	50	BGAA	
O=C(O)c1cc(C2CC2)nc2ccc(Cl)cc12	3757112	NQFVACCQTKXGON-UHFFFAOYSA-N	247.681	3.464	0	50	BGAA	
CCc1c(C)c2cc(Cl)c(O)cc2oc1=O	4749035	UWJXDYHWZOIMHA-UHFFFAOYSA-N	238.670	3.023	0	50	BGAA	
C[C@@H](Cc1ccccc1)NCc1ccco1	19534948	XWWSVBIGONHVQI-LBPRGKRZSA-N	215.296	3.000	0	50	BGAA	
Cc1cc2nc(-c3ccncc3)[nH]c2cc1C	31943824	RUMHYCVQHHQYSK-UHFFFAOYSA-N	223.279	3.242	0	50	BGAA	in-vitro
CCCCC[S@](=O)C1CCCCC1	191192646	BKXISISSFMDWKE-ZDUSSCGKSA-N	202.363	3.258	0	50	BGAA	
C1CCCn2c(nnc2C2CCCC2)CC1	630951233	JPJZBYBFGCPOQO-UHFFFAOYSA-N	219.332	3.052	0	50	BGAA	
Cc1nc2cc(CN[C@H](C)C(C)C)ccc2n1C	670460932	CJFMIBUKVOWKBC-LLVKDONJSA-N	245.370	3.016	0	50	BGAA	
COc1cnccc1-c1cc(F)cc(F)c1	1239655995	ZSJXCDGMHZFYRN-UHFFFAOYSA-N	221.206	3.035	0	50	BGAA	
CCOc1ccc(NC(=O)CC(C)(C)C)cc1	30590	KBPKLZFBVOFRAA-UHFFFAOYSA-N	235.327	3.460	0	50	BGAA	
Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	119820	CDIDGWDGQGVCIB-UHFFFAOYSA-N	229.123	3.306	0	50	BGAA	
CC(C)(C)CC(=O)Nc1ccccc1F	373176	NQLFWNIGMQVKHM-UHFFFAOYSA-N	209.264	3.200	0	50	BGAA	
Cc1ccc(CC(=O)Nc2ccc(F)cc2)cc1	463811	VSQXLZYWNDKKJW-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
CCCCNCCCOc1ccccc1C	2903186	ABKXZEXXEAYJRG-UHFFFAOYSA-N	221.344	3.154	0	50	BGAA	
CC1(C)Cc2cccc(Br)c2O1	5004651	XTVAFNBOFMUWAK-UHFFFAOYSA-N	227.101	3.163	0	50	BGAA	in-vitro
CN(C)c1ccc2nc3c(c(Cl)c2c1)CCC3	11763865	JHLJHSCGLQDOEF-UHFFFAOYSA-N	246.741	3.443	0	50	BGAA	
CCCC(=O)Nc1ccc(C(F)(F)F)cc1	12843524	RRSPMSLCWBEVFK-UHFFFAOYSA-N	231.217	3.444	0	50	BGAA	
CCc1ccc(C(=O)N2CCC(C)CC2)cc1	16605382	ONDVWUHYNKVCFK-UHFFFAOYSA-N	231.339	3.121	0	50	BGAA	
Cc1cc(C)c([C@]2(C)NCCS2)c(C)c1	35653665	PZJGAGAQAWXYDL-CYBMUJFWSA-N	221.369	3.121	0	50	BGAA	
COc1cc(Cl)cc(Br)c1	59796821	VOGGSKPTKSAXHR-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	in-vitro
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1C1CCCCC1	242106177	WHPHWHJGNFWKNM-BNOWGMLFSA-N	235.371	3.214	0	50	BGAA	
Fc1cccc(C(F)(F)F)c1OC(F)F	263624301	PCRDSCJHSKMBEI-UHFFFAOYSA-N	230.107	3.446	0	50	BGAA	
Cc1cc(-c2nc(C3CCCCC3)no2)ccn1	278562318	AJBCOXFGBVABRD-UHFFFAOYSA-N	243.310	3.488	0	50	BGAA	
C[C@@H]1C[C@H](Nc2nccc3ccsc23)CCO1	310348281	OOWNDXPHQXPYEY-MWLCHTKSSA-N	248.351	3.276	0	50	BGAA	
CCCS[C@@H]1CC(=O)CCC1(C)C	725361606	MOOOFNXBHKYTML-SNVBAGLBSA-N	200.347	3.277	0	50	BGAA	
Cc1nn2cc(-c3ccc(Cl)cc3)nc2s1	87795	ZSNGKUGMABAGTO-UHFFFAOYSA-N	249.726	3.420	0	50	BGAA	aggregator
Cc1cc(Cl)ccc1Br	164571	RTIPTGMVQIIMKL-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	biogenic
Cc1ccc2nc(C)c3c(c2c1)O[C@@H](C)C3	245407	KZULBMIDVLXBEZ-VIFPVBQESA-N	213.280	3.175	0	50	BGAA	biogenic
Cc1ccccc1NC(=O)C1CCCC1	383511	CMTKHFWPOLWPJB-UHFFFAOYSA-N	203.285	3.124	0	50	BGAA	
CCC(=O)Nc1cc(C(C)C)ccc1C	401575	OQFYJMMVVBCKLV-UHFFFAOYSA-N	205.301	3.467	0	50	BGAA	
CC(=O)Nc1ccccc1SC(F)(F)F	451475	YKNVCEKHULVCES-UHFFFAOYSA-N	235.230	3.257	0	50	BGAA	
O=Cc1cccn1-c1ccc2ccccc2c1	560220	JXZGHRSZIIBRJQ-UHFFFAOYSA-N	221.259	3.443	0	50	BGAA	
Clc1ncnc2ccc(Br)cc12	2386550	JFJNDMNYNYLFLJ-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
CCNCCOc1c(C)cc(Cl)cc1Cl	6702827	BGXZHDOLSYTPEO-UHFFFAOYSA-N	248.153	3.290	0	50	BGAA	
CCCCC1(CCCC)COCCO1	71773408	SCMKIUNFXNNKIY-UHFFFAOYSA-N	200.322	3.152	0	50	BGAA	
O=C(CC1CCCC1)N1CCc2ccccc21	72441457	FETBZUOVVPQZAG-UHFFFAOYSA-N	229.323	3.156	0	50	BGAA	
Clc1nc(Cl)c2c(n1)CCCCC2	82048640	WJMGVBPDXSHYBU-UHFFFAOYSA-N	217.099	3.052	0	50	BGAA	
CC1(C)C[C@H]2C[C@@](C)(CN2c2ccccn2)C1	109682924	ZEKNVMVWZGKTML-SWLSCSKDSA-N	230.355	3.487	0	50	BGAA	
Cc1cccc(CCCNC(=O)[C@@H]2CC2(C)C)c1	952979029	UOISWARPDGXHLR-AWEZNQCLSA-N	245.366	3.090	0	50	BGAA	
CSc1ccccc1C(=O)NC1CCCC1	571918	SXQQPUKOGOHJBG-UHFFFAOYSA-N	235.352	3.081	0	50	BGAA	
FC(F)(F)c1ccc2c(c1)NC[C@H]1CCCN21	1395314	CYHAERRXOYRCDH-SECBINFHSA-N	242.244	3.100	0	50	BGAA	
O=C(O)C[C@H]1CCCC[C@H]1c1ccccc1	1564617	WDABVCXHIRWXLA-OLZOCXBDSA-N	218.296	3.435	0	50	BGAA	
CCCCOc1ccc(Cl)cc1C(=O)O	2584160	MEECPFMWMVEMIX-UHFFFAOYSA-N	228.675	3.217	0	50	BGAA	in-vitro
CCCCNC(=S)Nc1cccc(C)c1	3002849	KCWDCIUCAQZLME-UHFFFAOYSA-N	222.357	3.082	0	50	BGAA	
COc1ccc([C@H](O)c2ccc(Cl)cc2)cc1	4242593	NXYTXXDCDYWBOQ-CQSZACIVSA-N	248.709	3.430	0	50	BGAA	
C[C@@H]1CC[C@H](c2c[nH]c3ccccc23)N1C	5735735	LQPZPKOXKQFSPK-QMTHXVAHSA-N	214.312	3.323	0	50	BGAA	
Cc1cccc(C)c1NC(=O)C1CCC1	9218595	QFKIKCZMBPWMBU-UHFFFAOYSA-N	203.285	3.042	0	50	BGAA	
CCc1nnc2n1-c1ccccc1-c1ccccc1-2	32581970	JPTPECRALJPJPJ-UHFFFAOYSA-N	247.301	3.477	0	50	BGAA	
N#Cc1ccc2[nH]c([C@@H]3C[C@@H]4C=C[C@H]3C4)nc2c1	74343835	FZGSLBKCDAEQNE-ADEWGFFLSA-N	235.290	3.114	0	50	BGAA	
CCC(O)(CC)C1([Si](C)(C)C)CC1	169829271	OJOISDMZVKBXJC-UHFFFAOYSA-N	200.398	3.410	0	50	BGAA	
CC1=CC[C@@H]2C(=O)[C@@H]3CC(C)=CC[C@H]3C(=O)[C@@H]2C1	216549512	KPSCBYIEVIABQP-XJFOESAGSA-N	244.334	3.083	0	50	BGAA	
Cc1ccccc1[C@H](C)NC[C@@H]1CCCC[C@H]1O	247043830	QDENVOWRQYNNAR-OFQRWUPVSA-N	247.382	3.197	0	50	BGAA	
C[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)C(C)(C)C	252584851	DGVBKEUMYOAVFQ-IJLUTSLNSA-N	240.391	3.299	0	50	BGAA	
Cc1noc(C)c1-c1nc(C2CC2)cs1	295298103	LZYVAUWZWVERER-UHFFFAOYSA-N	220.297	3.292	0	50	BGAA	
CNc1cccc(-c2cccc(OC)c2OC)c1	725263926	CBKILYBDOWWYIS-UHFFFAOYSA-N	243.306	3.413	0	50	BGAA	
Cc1cccc(NC(=O)c2ccccc2)c1	143784	PDEGMQCBLXQVLD-UHFFFAOYSA-N	211.264	3.247	0	50	BGAA	biogenic
c1cncc(CN[C@H]2CCCc3ccccc32)c1	183730	CCZUQBAVKRBDBG-INIZCTEOSA-N	238.334	3.249	0	50	BGAA	in-vitro
Cc1nc2c3c(cccc3n1)C(=O)c1ccccc1-2	205305	QHBYWLGUAWZSKG-UHFFFAOYSA-N	246.269	3.150	0	50	BGAA	
Cc1ccc(-c2noc(-c3ccco3)n2)cc1	256129	NXXURVXTYOJCSP-UHFFFAOYSA-N	226.235	3.305	0	50	BGAA	
CC[C@@H](C)c1ccc(OCCn2ccnc2)cc1	311419	OARFLUICUWNTEI-CYBMUJFWSA-N	244.338	3.476	0	50	BGAA	
Cc1ccc(O)c(NC(=O)c2ccccc2F)c1	390003	WVJPUOJXASFLER-UHFFFAOYSA-N	245.253	3.092	0	50	BGAA	
Cc1cccc(-c2cccc(C(=O)O)c2)c1F	65336946	NYMIEMKIHLESLQ-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Cc1ccc(CCCNC(=O)C(C)(C)C)cc1	72117560	LKDNNRIOIRFAAU-UHFFFAOYSA-N	233.355	3.090	0	50	BGAA	
COC(C)(C)c1cc2cc(C(=O)O)ccc2o1	114959636	BWWDMJFCTNMJSH-UHFFFAOYSA-N	234.251	3.013	0	50	BGAA	
Cc1cnn2c(-c3ccccc3)cc(Cl)nc12	1857780224	VDEPFPXYYGGFQN-UHFFFAOYSA-N	243.697	3.358	0	50	BGAA	
Cc1ccc([C@H]2OC(=O)c3ccccc32)cc1	170534	FCWFNXMQIVEVLU-CQSZACIVSA-N	224.259	3.255	0	50	BGAA	
COc1ccc(OC(=O)Nc2ccccc2)cc1	285729	OKZNBJVONJHCEP-UHFFFAOYSA-N	243.262	3.306	0	50	BGAA	
Cc1cc(C)cc(C(=O)Nc2nc(C)cs2)c1	1055448	GOMYKYUJJYTGGW-UHFFFAOYSA-N	246.335	3.321	0	50	BGAA	
COc1ccc2c(c1)c1ccccc1n2C	2499929	AVNDNAMWRXRLEL-UHFFFAOYSA-N	211.264	3.340	0	50	BGAA	
Clc1ccc(Cn2ccnc2)c(Cl)c1	4385935	OPCJKENNKLSJMC-UHFFFAOYSA-N	227.094	3.238	0	50	BGAA	
Cc1cc(C)c2c(c1)CC(C)(C)CC2=O	4428471	SHSYEGQDGZAMNV-UHFFFAOYSA-N	202.297	3.459	0	50	BGAA	in-vitro
Cc1cnc(-c2ccccc2CO)c(Cl)c1	67934331	GCCJKNGSFPTOBK-UHFFFAOYSA-N	233.698	3.203	0	50	BGAA	
Cc1ccc2c(c1Br)CCCC2=O	238486473	YOUAHYWXCCBPNP-UHFFFAOYSA-N	239.112	3.277	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2nc(C)cc(C)n2)c1	426414258	GFTFMWSJUDKZFN-LBPRGKRZSA-N	242.322	3.468	0	50	BGAA	
C[C@@H]1CCCCCN1C(=O)C1[C@@H]2CCCC[C@@H]12	463456967	IUGBGGKAVYWKLP-JHJVBQTASA-N	235.371	3.214	0	50	BGAA	
O=Cc1c(-c2ccccc2F)nc2sccn12	168061	RZZWUVQMYIDSNM-UHFFFAOYSA-N	246.266	3.014	0	50	BGAA	
CCC1CCC(N2C[C@H](C)O[C@@H](C)C2)CC1	214761	FBMBVEQNCJMYIC-FEPKRQSRSA-N	225.376	3.064	0	50	BGAA	
Cc1ccc(CNc2ccc3c(c2)OCO3)cc1	280063	REYMHRRAMQYIQD-UHFFFAOYSA-N	241.290	3.336	0	50	BGAA	
C[C@H](CNC(=O)c1cccs1)c1ccccc1	291479	ZVIZJNKVDUHEHE-LLVKDONJSA-N	245.347	3.282	0	50	BGAA	
COc1cccc(-c2nc3ccccc3[nH]2)c1	297643	XAMZPXRUPPCGFJ-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	in-vitro
C=C(c1ccc(Cl)cc1)[n+]1ccccc1	337494	VMKFKGRERJICBD-UHFFFAOYSA-N	216.691	3.147	0	50	BGAA	
O=C(OCCc1ccccc1)c1ccccc1	410077	OSORMYZMWHVFOZ-UHFFFAOYSA-N	226.275	3.086	0	50	BGAA	endogenous,in-man
CC[C@@H](C)Cn1c(COC)nc2ccccc21	617377	XVTXACQXOWDAAX-LLVKDONJSA-N	232.327	3.229	0	50	BGAA	
Cc1nc(-c2ccc(C(C)(C)C)cc2)no1	4809576	YANBVRUYEJFALU-UHFFFAOYSA-N	216.284	3.343	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)CCc1ccccc1	5954097	QAGBRBUOEZYEMY-HNNXBMFYSA-N	245.366	3.410	0	50	BGAA	
CC(=O)N1CCC[C@H](CCc2cccc(F)c2)C1	65526255	YEQUTZFQLWQHJQ-CQSZACIVSA-N	249.329	3.017	0	50	BGAA	
Cc1c[nH]c2nc(Cl)cc(Cl)c12	230524589	XTQKFSGVCGUOTN-UHFFFAOYSA-N	201.056	3.178	0	50	BGAA	
CCCc1cc(CN(C)[C@@H]2CCC(C)(C)C2)n[nH]1	1857673952	UPHQNEOZQUUGOW-CQSZACIVSA-N	249.402	3.373	0	50	BGAA	
Oc1ccc2ccccc2c1Br	1318	FQJZPYXGPYJJIH-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
C[C@H]1CCC[C@@H](NC(=O)c2ccccc2F)C1	390012	NDNWNFDBNWNMQG-WDEREUQCSA-N	235.302	3.134	0	50	BGAA	
NC(=O)Nc1cc(Cl)c(Cl)cc1Cl	399093	PZFNDWHDAMZYEL-UHFFFAOYSA-N	239.489	3.137	0	50	BGAA	
CSc1ccccc1NC(=O)c1cccnc1	1055271	NTKGIURAKHGXKW-UHFFFAOYSA-N	244.319	3.056	0	50	BGAA	
Brc1ccc(-c2ncco2)cc1	2540636	LAPKDKRJQXERIR-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	
COc1ccc(/C=C/c2ccccn2)cc1	3880731	YVXLWJRTXKPYON-VMPITWQZSA-N	211.264	3.261	0	50	BGAA	
Cc1ccc(CC(=O)NC2CCC(C)CC2)cc1	6698746	MIIUSAWSHXACKM-UHFFFAOYSA-N	245.366	3.232	0	50	BGAA	
COc1cccc(NC(=O)c2ccsc2)c1	8941936	HVWZDLOHFCAWQZ-UHFFFAOYSA-N	233.292	3.009	0	50	BGAA	
CCCn1cc(C=O)c2cc(OCC)ccc21	34925334	JYDKVFPUDYMXFR-UHFFFAOYSA-N	231.295	3.263	0	50	BGAA	
Clc1ccc(-c2n[nH]cc2-c2ncc[nH]2)cc1	67673296	BSNXADQXUNBQNX-UHFFFAOYSA-N	244.685	3.120	0	50	BGAA	
Cc1ccc(C[C@@H]2C(=O)Nc3ccccc32)s1	101016489	FACVYCPOIZZUSS-LBPRGKRZSA-N	243.331	3.335	0	50	BGAA	
Cc1cscc1-c1nc(-c2ccccn2)no1	178628435	MHAXTBSZGPGFNU-UHFFFAOYSA-N	243.291	3.169	0	50	BGAA	
CC1(C)CCc2cc(C(C)(C)O)ccc2O1	215809690	NXFYLGAWCIPFOI-UHFFFAOYSA-N	220.312	3.018	0	50	BGAA	
O=Cc1c(Cl)cc(F)cc1Br	219865734	YFXZCTDYQNCIEF-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C	225246963	RLMYEIVFCGMENJ-KCQAQPDRSA-N	243.350	3.222	0	50	BGAA	
COCC1(CNC/C=C/c2ccccc2)CCC1	282076298	QWPBVMNRQUYGGC-WEVVVXLNSA-N	245.366	3.106	0	50	BGAA	
COc1ccc(-c2nccn2C(C)C)c(C)c1	426358186	DNTAXCNXGFCDQJ-UHFFFAOYSA-N	230.311	3.448	0	50	BGAA	
Cn1ccc2c(CN3C[C@H]4C[C@@]4(C)C3)cccc21	1772815696	SYDVMQJWEIHUQX-CJNGLKHVSA-N	240.350	3.020	0	50	BGAA	
Cc1cnc2[nH]ccc(-c3ccn(C(C)C)n3)c1-2	2325777856	KGXJGADVZSWAKG-UHFFFAOYSA-N	240.310	3.267	0	50	BGAA	
Cc1nc(-c2ccccc2)nc2c1CCCC2	240551	IULGZNCMQUUWHZ-UHFFFAOYSA-N	224.307	3.331	0	50	BGAA	
Cc1ccc(C(=O)NCc2ccccc2)cc1C	288404	ZZNYXOPDZJRHST-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
Brc1ccccc1-c1cnco1	4277361	JLTHLCLAPCIKJJ-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
Oc1c(Br)ccc2ccccc12	6118210	LOHOSHDZQVKDPS-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
Cc1cc(-c2cccc(Br)c2)n[nH]1	8730151	IAINCJDFHUONJZ-UHFFFAOYSA-N	237.100	3.148	0	50	BGAA	
CC(C)C1=NN(c2ccccc2)C(=O)C1(C)C	32156740	OTFORNMJURLTPW-UHFFFAOYSA-N	230.311	3.071	0	50	BGAA	
O=C1CCCCc2c(Br)cccc21	36439649	BPAUWFSOUHQYFG-UHFFFAOYSA-N	239.112	3.358	0	50	BGAA	
C[C@H]1C=CC[C@@H](C)N1Cc1ccccc1	44126047	MIYBQYJPXKKNPL-QWHCGFSZSA-N	201.313	3.226	0	50	BGAA	
O=C(O)c1cc(Cl)c2cccc(Cl)c2n1	71025649	UIDAFLPDLOSYSD-UHFFFAOYSA-N	242.061	3.240	0	50	BGAA	
c1ccc(CCCCC2CCNCC2)cc1	88243243	WREUFUDUYWORCW-UHFFFAOYSA-N	217.356	3.399	0	50	BGAA	
C[C@@H]1CC(C)(C)C[C@H]1NCc1nccs1	192391014	JRPPSBCPNMNQKV-NXEZZACHSA-N	224.373	3.057	0	50	BGAA	
CC(C)[C@@H]1C[C@H](CNCc2ccccc2)CCO1	352722966	ONQNIRTUGAXORU-CVEARBPZSA-N	247.382	3.227	0	50	BGAA	
O=Cc1cccc(-c2ccnc(C(F)F)c2)c1	725273660	STQLNOKLNUQLPL-UHFFFAOYSA-N	233.217	3.499	0	50	BGAA	
Cc1sc2nc(-c3ccco3)oc(=O)c2c1C	284081	FIXJBNHERODWGA-UHFFFAOYSA-N	247.275	3.126	0	50	BGAA	
COc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1	300892	OLXZTVLJOVOAII-STQMWFEESA-N	245.322	3.070	0	50	BGAA	
Cc1ccc(CNC(=O)c2sccc2C)cc1	371249	HEADITVSXYFDJR-UHFFFAOYSA-N	245.347	3.295	0	50	BGAA	
COc1ccc(CNc2ccc(F)cc2)cc1	394971	GSIXDRVRPADHPJ-UHFFFAOYSA-N	231.270	3.446	0	50	BGAA	
O=c1sc2ccccc2n1-c1ccccc1	409906	BHPSZHMGNYEULP-UHFFFAOYSA-N	227.288	3.052	0	50	BGAA	
CCCC(=O)Nc1ccc(NC(=O)C(C)C)cc1	442579	OUKPRSZFNNJOHL-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
Clc1ccccc1CNCc1ccco1	783235	PAUGPUKAWMVYKS-UHFFFAOYSA-N	221.687	3.223	0	50	BGAA	in-vitro
C/C=C/[C@](F)(Cl)C(F)(F)Br	2526357	QQVDBKBIOLTXSK-FSSWKIGTSA-N	237.446	3.455	0	50	BGAA	
O=Cc1cc(Cl)cc(Cl)c1Cl	2539407	DJYRZTCLVDKWBL-UHFFFAOYSA-N	209.459	3.459	0	50	BGAA	in-vitro
Cc1cc(C)c(C)c(OCCNC(C)(C)C)c1	2931791	UHQJTURVQAGYAA-UHFFFAOYSA-N	235.371	3.379	0	50	BGAA	
O=Cc1cc(Cl)c(Cl)cc1Cl	21304419	LXQRQVUSDOKVLD-UHFFFAOYSA-N	209.459	3.459	0	50	BGAA	
FC(F)(F)c1ccnc(Cl)c1Cl	34476087	ZFCZNQZILNNPBH-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
CNc1nccnc1-c1cccc2ccccc12	88680616	ZGBLJFWMHIOXPZ-UHFFFAOYSA-N	235.290	3.339	0	50	BGAA	
CC(C)(Cc1ccccc1)N1CCCCC1	96027548	HUHNEJQZCWFLAL-UHFFFAOYSA-N	217.356	3.494	0	50	BGAA	
CC[C@@H]1CCCCCN1C(=O)c1cccc(N)c1	135282845	SKFKCUVQIJDYFU-CQSZACIVSA-N	246.354	3.064	0	50	BGAA	
Cc1ccc(N=c2scc3n2CCC3)cc1	254710206	KVIHKJDUHMRPJC-UHFFFAOYSA-N	230.336	3.037	0	50	BGAA	
c1ccc(Cc2ncoc2-c2nccs2)cc1	2356155800	NFHPVMQHSLNAHY-UHFFFAOYSA-N	242.303	3.389	0	50	BGAA	
Cc1ccccc1-c1nc(-c2ccccn2)no1	80608	YRLWLALGGVGICR-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
Cc1ccn2cc(-c3ccc(F)cc3)nc2c1	132956	MYEKEACDOQRRPM-UHFFFAOYSA-N	226.254	3.449	0	50	BGAA	in-vitro
Cc1ccc(C(=O)Nc2ccc(F)cc2F)o1	474974	QHAXPGGGUQAAKF-UHFFFAOYSA-N	237.205	3.119	0	50	BGAA	
CC[C@@H](C)OC(=O)/C=C/c1ccccc1	1599110	KAUQDJKVXUKALZ-PBQZMEPESA-N	204.269	3.042	0	50	BGAA	in-vitro
c1ccc(C2=NN(c3ccccc3)CC2)cc1	4142401	ZWCZPVMIHLKVLD-UHFFFAOYSA-N	222.291	3.301	0	50	BGAA	in-vitro
O=C(Nc1nccs1)[C@H]1[C@H]2CCCCC=C[C@@H]21	4195671	QVRUJMJSJXRQQT-GARJFASQSA-N	248.351	3.074	0	50	BGAA	
CC(=O)SC(C)(C)[C@@H]1CC[C@@H](C)CC1=O	6031068	AMXPURQVAMENCC-PSASIEDQSA-N	228.357	3.050	0	50	BGAA	biogenic
CCOC(=O)N[C@H](C)c1ccc(C)cc1C	13321469	HLJPQYKZZDQUOO-LLVKDONJSA-N	221.300	3.111	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2Cl)o1	21988888	VBAVRTIZMRXNMB-UHFFFAOYSA-N	236.654	3.387	0	50	BGAA	
Nc1nc2cc(C(F)(F)F)cc(Cl)c2o1	112944882	HWBHEYRPIXHZIP-UHFFFAOYSA-N	236.580	3.082	0	50	BGAA	
C=CC(=O)N1[C@H]2C=C(c3ccccc3)C[C@H]1CC2	820436835	NWSNLTMCVDQITG-HUUCEWRRSA-N	239.318	3.019	0	50	BGAA	
O=C1O/C(=C\c2ccc(F)cc2)c2ccccc21	41628	YUUDPCAZITYZNH-ZROIWOOFSA-N	240.233	3.494	0	50	BGAA	
Cc1ccc2nc(-c3ccc(N)cc3O)oc2c1	235989	WCLVOVYJAPLNEZ-UHFFFAOYSA-N	240.262	3.091	0	50	BGAA	
O=c1oc(-c2ccco2)nc2cc(Cl)ccc12	261008	KFCGQELQDCGMNW-UHFFFAOYSA-N	247.637	3.101	0	50	BGAA	
C[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1	395842	JXVIIQLNUPXOII-YPMHNXCESA-N	232.327	3.387	0	50	BGAA	in-vitro
Oc1ccc(CNc2ccc(F)cc2)cc1	397714	BVQJXQSQRXOCIT-UHFFFAOYSA-N	217.243	3.143	0	50	BGAA	
CCCCNC(=O)Nc1ccccc1CC	1640145	BWGBSJRTIMWQMM-UHFFFAOYSA-N	220.316	3.171	0	50	BGAA	
CC[C@@H](C)NCCOc1cc(C)ccc1Cl	2823232	LIZKXPIBUYKDNY-LLVKDONJSA-N	241.762	3.415	0	50	BGAA	
COc1cccc(C(=O)N2CCCCCCC2)c1	6730967	UGPMXKTVBGXFBF-UHFFFAOYSA-N	247.338	3.102	0	50	BGAA	
O=C(O)CCCOc1cccc(Cl)c1Cl	11802460	OUHXERSBJVBFGI-UHFFFAOYSA-N	249.093	3.237	0	50	BGAA	
COc1ccc(C(=O)Nc2ccccc2)cc1C	13945949	MSKMVRIKGIRHLT-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CN(C)[C@@H]1CCCC[C@@H]1c1ccccc1	34411701	MJWLTNXSPRLXPT-ZIAGYGMSSA-N	203.329	3.274	0	50	BGAA	
CC(C)(NC(=O)[C@H]1CC1(C)C)c1ccc(F)cc1	124906181	SMZNQRKZIOVHAM-GFCCVEGCSA-N	249.329	3.223	0	50	BGAA	
CC(C)(C)c1cccc(-c2cnccn2)c1	148731213	IVJKWBWVZRRXEK-UHFFFAOYSA-N	212.296	3.441	0	50	BGAA	
C=CC(=O)N[C@H](c1ccc(CC)o1)C(C)(C)C	1875365993	KZHJIYYPUXIZKS-CYBMUJFWSA-N	235.327	3.231	0	50	BGAA	
O=C(O)C[C@@H]1CCCC[C@@H]1c1ccccc1	1564614	WDABVCXHIRWXLA-QWHCGFSZSA-N	218.296	3.435	0	50	BGAA	
CCCCNCCOc1cc(C)cc(C)c1	5707643	COAQZRZTNMPOHP-UHFFFAOYSA-N	221.344	3.072	0	50	BGAA	
OCc1cc(-c2cccc3ccsc23)ccn1	19940042	LBZTZPKUODXKHP-UHFFFAOYSA-N	241.315	3.456	0	50	BGAA	
COC(=O)c1ccc(C2CCCC2)cc1	75852430	NPJXXWSZAWOCFI-UHFFFAOYSA-N	204.269	3.131	0	50	BGAA	in-vitro
CC1(C)CCc2cc(C=O)cc(Cl)c2O1	114357060	JXSMTFMTJQTESH-UHFFFAOYSA-N	224.687	3.256	0	50	BGAA	
C[C@H](C(=O)NC1CCCCC1)c1ccccc1	163524700	GGTWIOOOEDGVEZ-LBPRGKRZSA-N	231.339	3.239	0	50	BGAA	
COc1ccc(NC(=O)c2ccccc2F)cc1	98422	HPAMAHNHZDHXKY-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
O=C(O)CCc1ccc(Cl)cc1Cl	110576	HLNPVFSCAMKIOD-UHFFFAOYSA-N	219.067	3.011	0	50	BGAA	in-vitro
O=C(/C=C/c1ccccc1)Oc1ccccc1	281611	NBFNGRDFKUJVIN-VAWYXSNFSA-N	224.259	3.305	0	50	BGAA	biogenic
Cc1ccc(C(=O)Nc2ccncc2)c(Cl)c1	458448	UWNQPCWXUYTWDE-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
Cc1nc2ccc(NC(=O)NC(C)(C)C)cc2o1	1384468	FWWWPADFKJYORB-UHFFFAOYSA-N	247.298	3.056	0	50	BGAA	
Cc1ccc(-c2cn3cccnc3n2)cc1C	4235074	LJTABLRTUIIRJB-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	in-vitro
C(=C/c1nc(-c2ccncc2)no1)\c1ccccc1	4504045	PYRALABKBZRNQQ-VOTSOKGWSA-N	249.273	3.302	0	50	BGAA	
Cc1cccc([C@@H](C)c2cnc[nH]2)c1C	4676236	CUHVIMMYOGQXCV-LLVKDONJSA-N	200.285	3.178	0	50	BGAA	biogenic,in-man
CC1=NN(c2cc(Cl)cc(Cl)c2)C(=O)C1	5500795	VKTHFHQABGJLCW-UHFFFAOYSA-N	243.093	3.106	0	50	BGAA	
Clc1nc(-c2ccccc2)nc2[nH]ccc12	59870586	WDUMEENSRJYWBA-UHFFFAOYSA-N	229.670	3.278	0	50	BGAA	in-vitro
CCc1ccccc1-c1cccc(-n2cnnc2)c1	67676060	CCVNJKOGOCMFAP-UHFFFAOYSA-N	249.317	3.497	0	50	BGAA	
Cc1cc(-c2cc[nH]n2)nc2cc(F)ccc12	426594786	FQGVZSPXONEEKX-UHFFFAOYSA-N	227.242	3.072	0	50	BGAA	
CC(=O)N[C@@H](C)c1ccc(-c2ccoc2)cc1	534632991	KYTIXGSKSJYFOM-JTQLQIEISA-N	229.279	3.144	0	50	BGAA	
CC/C=C(\C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1	584907083	WRIZUOYFCPBRHU-GIYFRTQOSA-N	235.371	3.428	0	50	BGAA	
COCc1nc(C2CCC2)n(C2CCCCC2)n1	824485247	XMJGTDIXOWUTQS-UHFFFAOYSA-N	249.358	3.197	0	50	BGAA	
Cc1cccc(CNc2cnc(C)nc2C)c1	1875291213	RIHUZTKHVIREHE-UHFFFAOYSA-N	227.311	3.014	0	50	BGAA	
CC(C)(C)NC(=O)Nc1ccc(Cl)cc1	98729	CEFKBUCTZZRAFZ-UHFFFAOYSA-N	226.707	3.260	0	50	BGAA	
O=C(O)c1ccccc1CCc1ccccc1	155141	IOHPVZBSOKLVMN-UHFFFAOYSA-N	226.275	3.170	0	50	BGAA	biogenic,in-vitro
CCC[C@@H](C)C(=O)N1CCCC[C@H]1CC	443933	GKWKSBISNZDDNJ-VXGBXAGGSA-N	211.349	3.214	0	50	BGAA	
Cc1ccc(COc2ccsc2C(=O)O)cc1	1395874	MYVLJSQSMBUIJV-UHFFFAOYSA-N	248.303	3.334	0	50	BGAA	
CC1=CC(C)(C)N=C(S)N1c1cccc(O)c1	2485267	OZXSXXNDYSDVEU-UHFFFAOYSA-N	248.351	3.180	0	50	BGAA	
Cc1ccc(-n2nc(-c3ccccc3)cc2N)cc1	2566714	BTKYVBPZOCRERJ-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
CCCCc1ccc(NC(=O)[C@H]2CCCO2)cc1	2747170	HKKFJNCYNZHEHZ-CQSZACIVSA-N	247.338	3.147	0	50	BGAA	
CNC(=O)[C@H](C)/C(C)=C(\C)C(C)=C(C)C	3121828	FKDUXRCFUCIEOA-HCRIHEDKSA-N	209.333	3.061	0	50	BGAA	
CC1(C)CC(=O)c2c(-c3cccs3)n[nH]c2C1	4167724	CFRKYGGFFATMNI-UHFFFAOYSA-N	246.335	3.293	0	50	BGAA	aggregator
O=Cc1ccc(OCc2cccs2)cc1	4837770	SJILVQWRIRLHLC-UHFFFAOYSA-N	218.277	3.140	0	50	BGAA	
CN(Cc1ccc(O)cc1)C1CCCCC1	4988604	FLVJRVBDDZXZAC-UHFFFAOYSA-N	219.328	3.157	0	50	BGAA	
Cc1ccc(NC(=O)c2occc2C)cc1	8935365	CBGADMUBWIWKMW-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
Cc1cc(N=c2cc[nH]cc2)c2ccccc2n1	1173879506	RWNOJXNQYMEONC-UHFFFAOYSA-N	235.290	3.104	0	50	BGAA	
CC(C)c1ccc(NC(=O)c2cccnc2)cc1	192770	DFZSQLCXLYAYBQ-UHFFFAOYSA-N	240.306	3.457	0	50	BGAA	
Cc1occc1C(=O)Nc1ccc(F)cc1F	218546	NTXACCUUHPOIMP-UHFFFAOYSA-N	237.205	3.119	0	50	BGAA	
Cc1ccc2c(c1)c1c3n2CCCN[C@H]3CCC1	240881	ISPIKCHXHLYETP-AWEZNQCLSA-N	240.350	3.320	0	50	BGAA	
CN(C)C(=O)Nc1cc(Cl)cc(Cl)c1	396994	NAOCHJCREOAPOF-UHFFFAOYSA-N	233.098	3.087	0	50	BGAA	
Cc1cc(Cl)ccc1NC(=O)N1CCCC1	397680	WYVCDAOMQQCVFL-UHFFFAOYSA-N	238.718	3.276	0	50	BGAA	
CC(C)CC(=O)Nc1cccc2ncccc12	556529	UINOYIMJWXNMBB-UHFFFAOYSA-N	228.295	3.219	0	50	BGAA	
Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1	1516344	PSDVFXQQNBDDJC-UHFFFAOYSA-N	229.123	3.306	0	50	BGAA	
Oc1c(Cl)cc(Cl)cc1-c1cc[nH]n1	2574005	MZRAYBSAMAGCRX-UHFFFAOYSA-N	229.066	3.089	0	50	BGAA	
O=C(O)Cc1ccc(CCc2ccccc2)s1	2839285	TUUNBULLUWGHRG-UHFFFAOYSA-N	246.331	3.160	0	50	BGAA	
CCCN(Cc1ccc2c(c1)OCO2)CC1CC1	23281357	YNMIPSKVZRIKES-UHFFFAOYSA-N	247.338	3.037	0	50	BGAA	
CNC(=O)Nc1ccc(-c2ccccc2)cc1	48469307	JPGSDOCHYOPJAH-UHFFFAOYSA-N	226.279	3.105	0	50	BGAA	
O=Cc1c(F)ccc(Br)c1Cl	90411243	ADFWZYGIWHXERD-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	in-vitro
c1ccc(Cc2ncoc2-c2cnsc2)cc1	2356157731	OLXHLRZDPFAUKJ-UHFFFAOYSA-N	242.303	3.389	0	50	BGAA	
CCC(=O)NCC1(c2ccccc2)CCCC1	285578	LHXDLYRMEUVDRX-UHFFFAOYSA-N	231.339	3.025	0	50	BGAA	
Cc1cc(C)n(-c2ccc(C)c(Cl)c2)n1	305957	LECUQHBXEKGXHI-UHFFFAOYSA-N	220.703	3.451	0	50	BGAA	
Cc1ccc2cc(C3=CCC(=O)O3)ccc2c1	434260	LVFMQBFKJLTMFB-UHFFFAOYSA-N	224.259	3.436	0	50	BGAA	
COc1ccc(NC(=O)CC(C)C)cc1Cl	859535	PZTAIRLCBRBLHI-UHFFFAOYSA-N	241.718	3.333	0	50	BGAA	
COc1ccc(CNCc2cccs2)cc1	5019276	ZACXESPSVXBFGO-UHFFFAOYSA-N	233.336	3.047	0	50	BGAA	
Cc1cc(N)c2ccc(Cl)c(Cl)c2n1	32099240	YOXFYSBUBIJKKS-UHFFFAOYSA-N	227.094	3.432	0	50	BGAA	in-vitro
COc1cncc(-c2cc(Cl)ccc2OC)c1	65424606	FCBRZWIBMZAWIF-UHFFFAOYSA-N	249.697	3.419	0	50	BGAA	
CCCC1(CN[C@@H](C)Cn2ccnc2C)CCC1	534664699	IGEZKBJCGPSHBQ-ZDUSSCGKSA-N	249.402	3.140	0	50	BGAA	
OCc1csc(-c2cc3ccoc3cc2F)n1	1875341894	NADZGIKQSDPXQY-UHFFFAOYSA-N	249.266	3.188	0	50	BGAA	
CCC(=O)c1ccc2cc(N(C)C)ccc2c1	57590	MPPQGYCZBNURDG-UHFFFAOYSA-N	227.307	3.499	0	50	BGAA	in-vitro
Cc1ccc(C)c(NC(=O)NCC(C)C)c1	397215	AZMPYZLWMHEFAN-UHFFFAOYSA-N	220.316	3.081	0	50	BGAA	
Nc1ccc(Br)c2ccccc12	404275	LIUKLAQDPKYBCP-UHFFFAOYSA-N	222.085	3.185	0	50	BGAA	in-vitro
Cc1csc(NC(=O)/C=C/c2ccc(C)o2)n1	474399	FYUFBWLTXJJOEA-AATRIKPKSA-N	248.307	3.005	0	50	BGAA	
OC1=NC(=S)S/C1=C/c1cccs1	1267182	XLYORYAUKZCBPS-GQCTYLIASA-N	227.335	3.077	0	50	BGAA	
CC(=O)c1sc2nc3ccccc3n2c1C	4023732	OPHJWJCMGQFKFJ-UHFFFAOYSA-N	230.292	3.060	0	50	BGAA	
COc1ccccc1C(=O)N1CCCCCCC1	6725456	KVGBGXCXAMKPSU-UHFFFAOYSA-N	247.338	3.102	0	50	BGAA	
c1coc(C2=Nc3ccccc3NCC2)c1	6732102	VGNRCODKFDNTOE-UHFFFAOYSA-N	212.252	3.216	0	50	BGAA	in-vitro
COc1ccc(NC(=O)c2c(C)coc2C)cc1	9764022	DQEWZLSAWSMMQB-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
CCCOc1cc(Br)ccc1C=O	37025607	UZYDWJLYGWIVCE-UHFFFAOYSA-N	243.100	3.050	0	50	BGAA	
CC[C@@H](C)Oc1c(OC)cccc1-c1ncc[nH]1	67434384	NSTRPSKNINTAPX-SNVBAGLBSA-N	246.310	3.263	0	50	BGAA	
O=C1Oc2ccc(Cl)cc2[C@@H]1c1ccccc1	100284578	GEMLLCCRVLWNIW-ZDUSSCGKSA-N	244.677	3.391	0	50	BGAA	
c1ccc(-c2noc(C3CCC3)n2)cc1	171777795	CXXNAAOXFLADDP-UHFFFAOYSA-N	200.241	3.004	0	50	BGAA	
C1=C[C@H]2CC[C@H]1C[C@@H]2CNCc1ccccc1	402813348	CHYGAXMVHZFWTN-CWRNSKLLSA-N	227.351	3.379	0	50	BGAA	
Oc1cccc(SC2CCSCC2)c1	585118768	BCMZFNCTKNEDGB-UHFFFAOYSA-N	226.366	3.380	0	50	BGAA	
CC[C@]12C[C@H]1CN(c1ncc(Cl)cc1F)C2	1772805793	SHMYTYSRBIYITB-QPUJVOFHSA-N	240.709	3.110	0	50	BGAA	
C1=CC[C@H]2[C@@H](C1)CN2c1snc2ccccc12	2325784380	YLEMLQAPSFPQOT-GWCFXTLKSA-N	242.347	3.451	0	50	BGAA	
O=C(Nc1ccc(F)cc1)c1ccc(F)cc1	290656	SDQOPRDHXLLYOF-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
CN(C)c1ccc(-c2ccccc2)cc1N	331607	RKRMICSSOHOPJM-UHFFFAOYSA-N	212.296	3.002	0	50	BGAA	
C[C@H]1C[C@@H](NC(=O)C2CCC2)CC(C)(C)C1	355248	ZFQBCIVKMLSSHD-CMPLNLGQSA-N	223.360	3.118	0	50	BGAA	
O=C1c2ccccc2-c2c(F)ccc(F)c21	398744	OVPZENZRSOPWMR-UHFFFAOYSA-N	216.186	3.176	0	50	BGAA	
O=C(O)c1ccnc(-c2ccc(Cl)cc2)c1	1726234	BRBHDPCWBZWZTP-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
CCc1ccccc1OCCNC(C)(C)C	2931039	RZTFXDKCIWCBKL-UHFFFAOYSA-N	221.344	3.016	0	50	BGAA	
O=C(c1cccc(F)c1)N1CCCCCCC1	6698399	SOKZMZDYMYGFMZ-UHFFFAOYSA-N	235.302	3.232	0	50	BGAA	
CSc1nnc(-c2ccc(Cl)cc2)o1	6701241	ZZFSBGICCOSREE-UHFFFAOYSA-N	226.688	3.112	0	50	BGAA	
Cc1cc(C)c(C(=O)Nc2cc(C)on2)c(C)c1	6741289	XSPJNHZTPFTTEM-UHFFFAOYSA-N	244.294	3.161	0	50	BGAA	
CCCOc1ccc(C(=O)N[C@@H](C)CC)cc1	7668724	RKEAAADCYWCICF-NSHDSACASA-N	235.327	3.004	0	50	BGAA	
O=C(O)c1ccc(-c2cccc(Cl)c2)nc1	12955828	NWBCIKJWYVAJLJ-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
COc1c(C(=O)O)sc2cc(Cl)ccc12	98181541	OZAHJNXWNQEYMF-UHFFFAOYSA-N	242.683	3.262	0	50	BGAA	
C[C@H](CN(C)C)c1ccc(Br)cc1	259075638	XQSVLEPCIIKDAC-SECBINFHSA-N	242.160	3.114	0	50	BGAA	
C=CC(=O)N1CC(C)(C)c2c(Cl)cccc21	1120552419	ACJZXDQINGGTSP-UHFFFAOYSA-N	235.714	3.150	0	50	BGAA	
Cc1ccc2nc(-c3cccc(N)c3)oc2c1	122957	XTJYRJYREVBTAR-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
Cc1ccc(C(=O)NCc2ccco2)c(Cl)c1	458426	TZORIZMALUGNDP-UHFFFAOYSA-N	249.697	3.171	0	50	BGAA	
COC(=O)c1cccc(-c2ccccc2C)c1	1259524	LRCYVIUQUMGHJR-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
OCc1csc2ccc(Br)cc12	5177614	MYIMGJBVLBPXGC-UHFFFAOYSA-N	243.125	3.156	0	50	BGAA	
O[C@@H](CNc1cccc(Cl)c1)c1ccccc1	6582096	WVOWBCQZGUWCNS-AWEZNQCLSA-N	247.725	3.486	0	50	BGAA	
COC1(OC)CCCC[C@@H]1c1ccccc1	43762872	YQNFAHQNTQMLLS-CYBMUJFWSA-N	220.312	3.333	0	50	BGAA	
Cc1nc2ccc(F)c(F)c2n1C(C)(C)C	75972747	ORIFKPFBPSQSPR-UHFFFAOYSA-N	224.254	3.378	0	50	BGAA	
Cc1ccc(C[C@H](C)C(=O)N2CCCCC2)cc1	141047583	DAGVUKMBYINHMV-AWEZNQCLSA-N	245.366	3.186	0	50	BGAA	
COc1ccc(-c2ccnn2C(C)C)cc1F	1250620408	QYZKASIXMWWVGM-UHFFFAOYSA-N	234.274	3.279	0	50	BGAA	
Fc1ccc(F)c(-c2cnc3nsnc3c2)c1	1875341846	KRFAKVBIIOTPOW-UHFFFAOYSA-N	249.245	3.032	0	50	BGAA	
CN(C(=O)c1ccc(F)cc1)C1CCCCC1	29774	NAFDVGNDPWRIRS-UHFFFAOYSA-N	235.302	3.230	0	50	BGAA	
O=C(Nc1ccccc1Cl)c1ccco1	102773	FPKFMIHJPUIGST-UHFFFAOYSA-N	221.643	3.185	0	50	BGAA	
OCc1cccc2cccc(Br)c12	162134	CBEFAHWSHVJUKE-UHFFFAOYSA-N	237.096	3.095	0	50	BGAA	
COC(=O)[C@H](C)CSc1ccc(Cl)cc1	165825	LQTPIEYMBJPFQS-MRVPVSSYSA-N	244.743	3.241	0	50	BGAA	
CCOc1c(C=O)ccc2ccccc12	337506	BPGRUVNQIMGTQA-UHFFFAOYSA-N	200.237	3.051	0	50	BGAA	
CCOC(=O)Nc1c(C)cccc1CC	397318	XENOXTFNJADCMZ-UHFFFAOYSA-N	207.273	3.126	0	50	BGAA	
Cc1c(N)cccc1-c1nc2ccccc2[nH]1	455951	IJUMYEWHEBWLDW-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	
CCCOc1ccc2c(c1)OC(C)(C)CC2=O	4050960	VGHAPCWYAJZODC-UHFFFAOYSA-N	234.295	3.219	0	50	BGAA	
CCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	4409802	PELLUIPPBKHUAB-GRYCIOLGSA-N	212.333	3.400	0	50	BGAA	biogenic
C[C@@H]1CN(CC[C@@H](C)c2ccccc2)C[C@@H](C)O1	19634282	PMGQZHMNKYVKJY-RBSFLKMASA-N	247.382	3.289	0	50	BGAA	
Nc1cc(OC(F)(F)F)c(Cl)cc1Cl	44564154	BGCXRQYQQFADKX-UHFFFAOYSA-N	246.015	3.474	0	50	BGAA	in-vitro
c1ccc(Oc2ccc(-c3ncc[nH]3)cn2)cc1	67955324	MSENEAFPRSRBDL-UHFFFAOYSA-N	237.262	3.264	0	50	BGAA	
Cc1cc(Br)cc2c1CCC[C@@H]2N	212474138	KZHWVUXPBOOSIZ-NSHDSACASA-N	240.144	3.094	0	50	BGAA	
CC(C)c1cccc([C@@H](O)C(F)(F)F)c1	688935897	LNQRCYWZFNFMNF-SNVBAGLBSA-N	218.218	3.406	0	50	BGAA	
CCC[C@H](C(=O)Nc1ccccc1)n1cccc1	952963507	UIUVSCZWWVSPFS-CQSZACIVSA-N	242.322	3.468	0	50	BGAA	
Cn1cccc1-c1ocnc1Cc1ccccc1	2356153121	SGIODSOFKHGDLL-UHFFFAOYSA-N	238.290	3.271	0	50	BGAA	
Cc1ccc(C(=O)Nc2ccccc2F)cc1	128543	OFOAFMAVLNYXLM-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
O[C@@H](Cn1ccc2ccccc21)c1ccccc1	337811	IZJUVVVGVLACJG-INIZCTEOSA-N	237.302	3.375	0	50	BGAA	
Cn1cc(-c2ccccc2)c2ccccc2c1=O	399150	WWSYAOSOUAEOIE-UHFFFAOYSA-N	235.286	3.206	0	50	BGAA	
CCOC(=O)Nc1c(C)cc(C)cc1C	400457	WYIPHACQNKZRMS-UHFFFAOYSA-N	207.273	3.180	0	50	BGAA	
Cc1cc(C)cc(NCc2ccccn2)c1	432000	XSOCCXYTBWFZGI-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
Cc1ccccc1C(=O)N(C(C)C)C(C)C	455284	IJVAINDVYVMTTI-UHFFFAOYSA-N	219.328	3.254	0	50	BGAA	
CCOc1cc(C=O)c(Cl)cc1OC(C)C	464085	IDSQTTSPDCFWSG-UHFFFAOYSA-N	242.702	3.338	0	50	BGAA	
CCCOc1ccc(NC(=O)c2ccco2)cc1	2027208	XAXIHUNIZPWQOY-UHFFFAOYSA-N	245.278	3.321	0	50	BGAA	
CCC(CC)NC(=O)[C@H](CC)c1ccccc1	2191070	UGXVBLICMPCFQL-CQSZACIVSA-N	233.355	3.485	0	50	BGAA	
CCCCN(CC)C(=O)c1ccccc1OCC	2988388	SWDJUVCVVHYGNZ-UHFFFAOYSA-N	249.354	3.348	0	50	BGAA	
C[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1	4773139	ICMUUFNWMOFVCX-GFCCVEGCSA-N	228.339	3.400	0	50	BGAA	
CCC(CC)C(=O)N1CCCC[C@H]1CC	4894335	ZXNPLEKQTFTZPC-GFCCVEGCSA-N	211.349	3.214	0	50	BGAA	
Cc1ccc(CSc2ncccn2)cc1	6522515	JEMGFPLTJIUSOR-UHFFFAOYSA-N	216.309	3.077	0	50	BGAA	
Oc1cccc(-c2ccc(F)cc2F)c1	27193897	OGHWKVLBGYXORE-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
Cc1ccc(-c2cncnc2)c2cccnc12	67872056	FOLOIHBSUMZKFZ-UHFFFAOYSA-N	221.263	3.000	0	50	BGAA	
COC(=O)Cc1cc(Cl)c(C)c(Cl)c1	263624037	MWVQMOAEJIDMPU-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
Cc1nc(C2OCCO2)sc1-c1ccccc1	1616036545	NRGNHTYJWKWNBN-UHFFFAOYSA-N	247.319	3.164	0	50	BGAA	
CC[C@H](C)c1cc(O)nc(CCC(F)(F)F)n1	1776004464	SCJPQXITFDXZCD-ZETCQYMHSA-N	248.248	3.191	0	50	BGAA	
Cc1ccc2c(c1)OC(=O)C[C@H]2c1ccccc1	177887	DVIONHZDAYXRBA-AWEZNQCLSA-N	238.286	3.436	0	50	BGAA	
CC1=CCC2(CC1)COC(C(C)C)OC2	238625	OLWQBZRVFHTCMG-UHFFFAOYSA-N	210.317	3.132	0	50	BGAA	
Cc1ccc(NC(=O)Nc2ccc(C)cn2)cc1	291248	BIRSZMQJFTURAI-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
COc1cccc(CN[C@H]2CCCC[C@@H]2C)c1	293168	ZPCKFKYWLQCLJV-WFASDCNBSA-N	233.355	3.364	0	50	BGAA	
CC(C)NC(=O)c1ccc(C(C)(C)C)cc1	437054	GPHNMBVGSGNQDX-UHFFFAOYSA-N	219.328	3.122	0	50	BGAA	
Cc1ccc(C(=O)NCc2ccco2)cc1Cl	859470	ZVXMACSYLFOQLR-UHFFFAOYSA-N	249.697	3.171	0	50	BGAA	
CCOC(=O)C(C)(C)Oc1cccc(Cl)c1	1459139	PIJQXCKYCXTTHO-UHFFFAOYSA-N	242.702	3.061	0	50	BGAA	
Oc1ccccc1-c1nnc(-c2ccccc2)o1	1720536	AXKJOWVRUHGNBD-UHFFFAOYSA-N	238.246	3.109	0	50	BGAA	
C[C@@H](N)C(c1ccccc1)c1ccccc1	2042148	XNKICCFGYSXSAI-GFCCVEGCSA-N	211.308	3.166	0	50	BGAA	in-vitro
CCCCNCc1ccc(Br)cc1	5973575	MCNOIXPMJHKLAK-UHFFFAOYSA-N	242.160	3.339	0	50	BGAA	
Cc1ccccc1COc1cccc(C(=O)O)c1	11802369	IGCPGAMWSFORNG-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
CCCCC(=O)N[C@H]1CCCc2ccccc21	16580719	GVMNDUOLHYQTCO-AWEZNQCLSA-N	231.339	3.370	0	50	BGAA	
COCCOc1cc(Cl)cc(Cl)c1	34770647	BPAWAUAYNMBKMW-UHFFFAOYSA-N	221.083	3.019	0	50	BGAA	
CN(C)C(=O)/C=C/c1ccc(Cl)c(Cl)c1	70237350	HJIJOMXXOWGCSK-GQCTYLIASA-N	244.121	3.095	0	50	BGAA	
NC1(c2cccc(F)c2)CCC(F)(F)CC1	255187164	BQFCATOQFOEYQK-UHFFFAOYSA-N	229.245	3.189	0	50	BGAA	
CCOC(=O)Cc1cc(C)cc(Cl)c1Cl	263624398	QDFQLTAMQIXMHU-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
O=C(O)CCc1ccc(-c2ccc(Cl)cc2)[nH]1	94790	DCUHPFSWWKZTNU-UHFFFAOYSA-N	249.697	3.352	0	50	BGAA	
O=C(O)c1cccnc1SCc1ccccc1	217951	OJNZDGDYAXCHPB-UHFFFAOYSA-N	245.303	3.072	0	50	BGAA	
O=C(O)/C=C1/C=C(c2ccccc2)CCC1	395755	MEHGNANTRBSJJS-ZHACJKMWSA-N	214.264	3.265	0	50	BGAA	
Oc1ccc(OCc2ccccc2)c(F)c1	1405425	GYIIGCADGAQVFT-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	in-vitro
CCCCCCOC(=O)c1ccccc1N	1599273	YMQOKTHPONOAKK-UHFFFAOYSA-N	221.300	3.006	0	50	BGAA	
CC(C)c1ccc(I)cc1	2560404	PQJOSEVTIKYWLH-UHFFFAOYSA-N	246.091	3.415	0	50	BGAA	in-vitro
O=C(O)c1cccc2oc3ccccc3c12	34375937	UZVGSSNIUNSOFA-UHFFFAOYSA-N	212.204	3.284	0	50	BGAA	
CCOC(Cn1ccc2ccccc21)OCC	44125866	YUEGZKLHHPSXQY-UHFFFAOYSA-N	233.311	3.040	0	50	BGAA	
Fc1ccc2nc(-c3ccccc3)cn2c1	71570896	DWXAMLQRFAGVPR-UHFFFAOYSA-N	212.227	3.140	0	50	BGAA	in-vitro
CCSCC[C@H](C)N(C)C(=O)C1(C)CCC1	170608842	ZJDRUSYADWKWIC-NSHDSACASA-N	243.416	3.167	0	50	BGAA	
C[Si](C)(C)CCOCn1cnc2ccccc21	195894963	QIEIFQABLPHUPC-UHFFFAOYSA-N	248.402	3.349	0	50	BGAA	in-vitro
CC1(C)CCC[C@H](CC(=O)Nc2cnccn2)C1	408241846	MXEJNCOBTMDBOE-LLVKDONJSA-N	247.342	3.022	0	50	BGAA	
C[C@H](CC(=O)Nc1nccs1)c1ccccc1	268353	NLVYETCQEBKMAZ-SNVBAGLBSA-N	246.335	3.275	0	50	BGAA	
CC(=O)c1c(Cl)ccc(F)c1Cl	2389335	VJBFZHHRVCPAPZ-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	in-vitro
Cc1ccc2nc(Cl)c(Cl)nc2c1	2562587	UWSAFTDEEVGSAC-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	in-vitro
Cc1nc(-c2cccnc2)nc(Cl)c1Cl	2575278	SNVBSZANRXEMAP-UHFFFAOYSA-N	240.093	3.154	0	50	BGAA	
Cc1ccccc1OCCCNC(C)(C)C	2903239	FNVWOXHUDLVNQA-UHFFFAOYSA-N	221.344	3.152	0	50	BGAA	
O=Cc1cn[nH]c1-c1ccc(Cl)cc1Cl	4237549	DPDNYLPQPBRRBB-UHFFFAOYSA-N	241.077	3.196	0	50	BGAA	
CSc1ccc(CNC(C)(C)C)cc1	4657625	DHRRLAAHGHNMGD-UHFFFAOYSA-N	209.358	3.297	0	50	BGAA	
CC(C)c1ccnc(C2(O)CCCCC2)c1	8701075	QCLBOBVJTYZSFB-UHFFFAOYSA-N	219.328	3.357	0	50	BGAA	
O=C(O)c1nc(-c2ccccc2Cl)cs1	45206542	MPIZWRKPEMRGSM-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	
Cc1ccc2c(Cl)cc(C(=O)O)nc2c1C	71025644	KEPWFVVUVJSPJC-UHFFFAOYSA-N	235.670	3.203	0	50	BGAA	
Nc1cc2c(Br)cccc2s1	95743015	HNHQZTNGTGTYSL-UHFFFAOYSA-N	228.114	3.246	0	50	BGAA	
CC/N=c1/scc(-c2ccccc2)n1CC	100142293	JRKSNJHGFKEJRM-BUHFOSPRSA-N	232.352	3.157	0	50	BGAA	
CCOC(=O)c1ccc(Cl)c(Cl)c1F	263625110	WVUVTJYAJGKFBR-UHFFFAOYSA-N	237.057	3.309	0	50	BGAA	
FC(F)(F)c1n[nH]cc1-c1ccc(Cl)cn1	2325825963	JTKSXBOWUAPJPC-UHFFFAOYSA-N	247.607	3.144	0	50	BGAA	
CC[C@H](C(=O)O)c1ccc(CC(C)C)cc1	15537	UULSXYSSHHRCQK-ZDUSSCGKSA-N	220.312	3.463	0	50	BGAA	in-man
Oc1cc(C(F)(F)F)nc2c(F)cccc12	156144	UQFKMXKVHWMPPC-UHFFFAOYSA-N	231.148	3.098	0	50	BGAA	in-vitro
Cc1cc(S[C@H](C)C(=O)O)nc2ccccc12	193726	PZYFRXRGRLCMPV-SECBINFHSA-N	247.319	3.108	0	50	BGAA	
Cc1ccc2nc(-c3cccc(O)c3)cn2c1	337744	UUEXZZCBNLOVGI-UHFFFAOYSA-N	224.263	3.015	0	50	BGAA	
Cc1ccc(NC(=O)C2CCCC2)c(C)c1	460551	MMHPMNNRVCTFFZ-UHFFFAOYSA-N	217.312	3.432	0	50	BGAA	
Cc1cc(-c2ccc(Cl)cc2)[nH]c(=O)c1	1663506	BVRDVCRJCIXLMS-UHFFFAOYSA-N	219.671	3.004	0	50	BGAA	
CC[C@H](C)NCCCOc1ccc(C)cc1	2822175	RVUBIEYXBZNZPX-ZDUSSCGKSA-N	221.344	3.152	0	50	BGAA	
CCN(CC)CCOc1cc(C)cc(C)c1	4989723	VRLTZDTVIKQLEC-UHFFFAOYSA-N	221.344	3.024	0	50	BGAA	
COc1nc(Cl)c(Cl)cc1Cl	5998612	RLIVUWLXZBDMBL-UHFFFAOYSA-N	212.463	3.050	0	50	BGAA	
Clc1cccc(CNCc2ccncc2)c1	6702367	PZMABXXYUCIGOI-UHFFFAOYSA-N	232.714	3.025	0	50	BGAA	
CC(C)c1cc(Br)cc(C(=O)O)c1	71792972	SRTKNJYXJIAPIR-UHFFFAOYSA-N	243.100	3.271	0	50	BGAA	in-vitro
Cc1nc(Cl)ccc1-c1ccc(C(=O)O)cc1	74938329	ZFKCUJAPDXTFPW-UHFFFAOYSA-N	247.681	3.409	0	50	BGAA	in-vitro
CCCCn1c(C)nc2ccc(F)c(F)c21	95495614	VYMCBFDEAYUOSM-UHFFFAOYSA-N	224.254	3.423	0	50	BGAA	
CSc1cccc(-c2cnn3cccnc23)c1	96133254	YCWXPILXBFYQPK-UHFFFAOYSA-N	241.319	3.118	0	50	BGAA	
Nc1ccc(Cl)c(Cl)c1OC(F)F	146011601	KVAQSBMRTQOEFQ-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
Clc1ccc(C2=CCN(CC3CC3)CC2)cn1	364306973	RZYDEFMMCLUTMZ-UHFFFAOYSA-N	248.757	3.234	0	50	BGAA	
CCC[C@@H](C)NC(=O)[C@H](C)c1ccccc1	680017873	WQKGIHYNYLYJNN-VXGBXAGGSA-N	219.328	3.095	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1CCCCC1	397176	NWIYWNAMZZGUTM-UHFFFAOYSA-N	232.327	3.321	0	50	BGAA	
CCOc1cccc(NC(=O)c2ccccc2)c1	482638	ZPXYQLJGVJADSG-UHFFFAOYSA-N	241.290	3.338	0	50	BGAA	
Cc1cc(C)c(I)c(C)c1	1048861	GTPNXFKONRIHRW-UHFFFAOYSA-N	246.091	3.216	0	50	BGAA	in-vitro
Nc1nc(-c2ccc(C(F)(F)F)cc2)cs1	2243203	HYAHAIVZFRFEBU-UHFFFAOYSA-N	244.241	3.411	0	50	BGAA	in-vitro
CCCOc1ccc(C(=O)N[C@H](C)CC)cc1	7668727	RKEAAADCYWCICF-LLVKDONJSA-N	235.327	3.004	0	50	BGAA	
CN(C)Cn1c2ccccc2c2ccccc21	19606714	DCBDWGXHJDJBIG-UHFFFAOYSA-N	224.307	3.314	0	50	BGAA	
O=C1c2ccccc2OC[C@@H]1c1ccc(F)cc1	59151359	XKAFGKFIJBGYAP-CYBMUJFWSA-N	242.249	3.185	0	50	BGAA	
CCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	66198806	DXYUCOVDKUWMLS-LBPRGKRZSA-N	233.355	3.125	0	50	BGAA	
Cc1nc(-c2cc(Cl)ccc2O)cs1	85389665	POUYAKYBFRYVNZ-UHFFFAOYSA-N	225.700	3.478	0	50	BGAA	
FC(F)c1csc(Br)c1	91252534	KCSSVIYXNFPGRH-UHFFFAOYSA-N	213.046	3.448	0	50	BGAA	in-vitro
C[C@H]1CCN(Cc2ccno2)[C@@H](c2ccco2)C1	257365165	PUJZYNPVIGHGHJ-WCQYABFASA-N	246.310	3.241	0	50	BGAA	
CCc1cnc(C)nc1-c1cc(F)ccc1OC	426511604	HZKBYGGSQHRLQE-UHFFFAOYSA-N	246.285	3.162	0	50	BGAA	
O=C(c1ccsc1)c1coc2ccc(O)cc12	888088222	JZGFLQGDSRLDCY-UHFFFAOYSA-N	244.271	3.431	0	50	BGAA	
Cc1cccc(C2(NC(=O)[C@@H]3CC3(C)C)CC2)c1	952979329	GPMKIQBTYNCPKO-ZDUSSCGKSA-N	243.350	3.146	0	50	BGAA	
Nc1cncc(-c2cnc3cc(F)ccc3c2)c1	1242498951	KBBAAFILZNJWTO-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
O=C(O)CC1c2ccccc2Oc2ccccc21	360655	WBWAHPQXFIMEOA-UHFFFAOYSA-N	240.258	3.399	0	50	BGAA	in-vitro
O=C(/C=C/c1cccs1)Nc1ccccc1	449704	PMKYUDWCZLECBW-CMDGGOBGSA-N	229.304	3.400	0	50	BGAA	
COc1ccc(CNCCc2ccccc2)cc1	1854822	ONSSOYCKZSYAQS-UHFFFAOYSA-N	241.334	3.028	0	50	BGAA	biogenic,in-vitro
CNCCOc1cccc(Oc2ccccc2)c1	2845143	ZHFCBQAHNGTIAW-UHFFFAOYSA-N	243.306	3.077	0	50	BGAA	
CCC(CC)n1nc(O)c2c(C)cc(C)nc21	4278667	MVIDLIZTCYOEHW-UHFFFAOYSA-N	233.315	3.115	0	50	BGAA	
CCOc1ccccc1/C=C/c1cccc[n+]1C	4774805	IXNPCCDSYHWBLJ-VAWYXSNFSA-N	240.326	3.080	0	50	BGAA	
Cc1cccc(NC(=O)Nc2ccccn2)c1C	6699842	SHMSLZZPNHKARM-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Nc1cccc(C(=O)Nc2ccc(Cl)cc2)c1	7468618	PFLYFNYASPUBRC-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	biogenic,in-vitro
CC(=O)c1cnc(Nc2ccc(F)cc2)s1	12336581	UNHZXNHARUONCA-UHFFFAOYSA-N	236.271	3.228	0	50	BGAA	
COc1ccc(F)cc1-c1ccc(C(=O)O)cc1	38068825	HQDNSTHOIDILRF-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1cnccc1Cl	40447840	SJYRXORHRXUREX-UHFFFAOYSA-N	228.679	3.082	0	50	BGAA	in-vitro
COc1ccc(Oc2ccc(C(C)=O)cn2)cc1	212862023	PSQJFDSGYVOTBS-UHFFFAOYSA-N	243.262	3.085	0	50	BGAA	
CC(=O)N1N=C(C)C[C@@H]1[C@@H]1[C@H](C)C=C(C)C[C@H]1C	239174072	PFFGFWMMIMDKRY-YIKOMLBNSA-N	248.370	3.222	0	50	BGAA	
Fc1ccc2c(CN3CCCCC3)c[nH]c2c1	257958847	HPMLKWIUOLBYSF-UHFFFAOYSA-N	232.302	3.293	0	50	BGAA	
CO[C@H](C)c1cccc(-c2[nH]c(C)nc2C)c1	426635577	VKJJRYQURGAURR-SNVBAGLBSA-N	230.311	3.401	0	50	BGAA	
Nc1cc(N)cc(Sc2ccccc2)c1	268165	HNTINUIMKOOHJJ-UHFFFAOYSA-N	216.309	3.002	0	50	BGAA	
Cc1ccc(C)c(NC(=O)C2CCCC2)c1	475240	WMWUKGVYHBYFRU-UHFFFAOYSA-N	217.312	3.432	0	50	BGAA	
CC[C@H](C)NCCOc1ccc(C)cc1Cl	2823702	NVULQAXUTCYNTI-NSHDSACASA-N	241.762	3.415	0	50	BGAA	
CC(C)(C)NCCCOc1cccc(Cl)c1	2902826	RYWJFTUDILKRPG-UHFFFAOYSA-N	241.762	3.497	0	50	BGAA	
Cc1ccc(Oc2ccccc2CO)cc1	4091808	QWOFIUNHXWHNHV-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	
CC(C)NCc1cc2ccccc2s1	4298820	AQCLDPJJUASHRM-UHFFFAOYSA-N	205.326	3.399	0	50	BGAA	
CCCCONC(=O)Nc1ccccc1Cl	5170446	OPXZKQUKEJEAFL-UHFFFAOYSA-N	242.706	3.193	0	50	BGAA	
CC[C@H](C)NC(=O)c1ccc(OCC(C)C)cc1	10120487	XJWUGUWPVHABRG-LBPRGKRZSA-N	249.354	3.250	0	50	BGAA	
CCCCNC(=O)c1ccc(OCCC)cc1	10471950	CZQSNMHCJGTIMS-UHFFFAOYSA-N	235.327	3.005	0	50	BGAA	
COc1cc(C)c(Br)cc1Cl	38537117	ZSQSJXNQJJOEPA-UHFFFAOYSA-N	235.508	3.420	0	50	BGAA	in-vitro
COc1cc(Br)c(C)cc1Cl	40571456	DQDGGESGQDCTGD-UHFFFAOYSA-N	235.508	3.420	0	50	BGAA	
C=Cc1ccc(-c2ccc(C(N)=O)cc2)cc1	67697337	YCGAFWCLMWDTQI-UHFFFAOYSA-N	223.275	3.096	0	50	BGAA	
Cc1ccc(-c2ccc([C@@H](C)N(C)C)cc2)nn1	426434496	QPQFLGDSKATNQZ-GFCCVEGCSA-N	241.338	3.075	0	50	BGAA	
CCc1nn2cc(-c3ccc(F)cc3)nc2s1	87331	BXYPKYXHISKOBO-UHFFFAOYSA-N	247.298	3.159	0	50	BGAA	
CC(=O)Oc1ccc2c(c1)Cc1ccccc1-2	398918	YFQLLCHLTXQOCI-UHFFFAOYSA-N	224.259	3.183	0	50	BGAA	
O=Cc1cccc(OCc2cccc(F)c2)c1	467405	YEMLHGPVSJDWGD-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
CCCSc1nc2ccccc2n1C(C)=O	1794248	BXUGGZGSKICSMP-UHFFFAOYSA-N	234.324	3.199	0	50	BGAA	
Cc1nc2cc(Br)ccc2s1	2566775	OLQKNZNXLBILDD-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	in-vitro
O=C(OC1CCCCCCC1)C(F)(F)F	4577183	AXWMFWDPPKYELQ-UHFFFAOYSA-N	224.222	3.205	0	50	BGAA	in-vitro
Cc1ccc(NC(=S)c2ccc(O)cc2)cc1	4714744	UZCMTFNVVNDKBG-UHFFFAOYSA-N	243.331	3.488	0	50	BGAA	
Nc1nc2ccc(Sc3ccccc3)cc2[nH]1	5117377	OJDMYVLGXHUDMW-UHFFFAOYSA-N	241.319	3.296	0	50	BGAA	in-vitro
Cc1cc(N)c2cccc(C(F)(F)F)c2n1	16159453	WNPVMBJLPPHGEJ-UHFFFAOYSA-N	226.201	3.144	0	50	BGAA	in-vitro
CC(=O)C(C)(C)C1=C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@@H]32	45027929	BPFQWIATIYHZIM-CZXHOFHRSA-N	214.308	3.146	0	50	BGAA	
Cc1ccc(-c2cncc(C(=O)O)c2)cc1Cl	65348034	JDWNMCYMVAHOMG-UHFFFAOYSA-N	247.681	3.409	0	50	BGAA	in-vitro
COc1ccc(F)c(Br)c1Cl	148474400	GWOLGMNMHILZRJ-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
CC(=O)Nc1cccc(Br)c1Cl	253393429	SAIRUJWXUWKRMD-UHFFFAOYSA-N	248.507	3.061	0	50	BGAA	
FC(F)(F)c1cccc(-n2cccc2)c1	34362	WEOYJGQSAGJWQH-UHFFFAOYSA-N	211.186	3.496	0	50	BGAA	in-vitro
O=C(c1ccccc1)N1CCCc2ccccc21	143451	CEBQABUYWIZVHQ-UHFFFAOYSA-N	237.302	3.280	0	50	BGAA	
CCCOC(=O)c1cc(Cl)c(O)c(Cl)c1	2566191	WZTZPDOCOFUQFM-UHFFFAOYSA-N	249.093	3.266	0	50	BGAA	in-vitro
Cc1cccc(COc2ccccc2C(=O)O)c1	2635366	BENLLRCXXCQLTC-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	in-vitro
Oc1c(Cl)c(Cl)nc(Cl)c1Cl	3899447	RURNAQBVEXFRFC-UHFFFAOYSA-N	232.881	3.401	0	50	BGAA	
COc1ccc(Cl)cc1CNC1CCCC1	4868848	CNMCMMBSTQIUHY-UHFFFAOYSA-N	239.746	3.381	0	50	BGAA	
C[C@H]1CCCCN1Cc1c(F)cccc1F	4996371	AENNLLXESXJEHJ-JTQLQIEISA-N	225.282	3.339	0	50	BGAA	
COc1cccc(OCc2ccccc2)c1C=O	5662034	DSHQZHVVWLPOBE-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	
CCOC(=O)[C@H](CC)Oc1cccc(Cl)c1	6596285	WZPLXERRAOYRES-NSHDSACASA-N	242.702	3.061	0	50	BGAA	
Nc1cccc(-c2ccc(C(F)(F)F)cn2)c1	8730196	HMHNOBLOCBYEFL-UHFFFAOYSA-N	238.212	3.350	0	50	BGAA	
NCCSCc1ccc(Cl)cc1Cl	19504461	LOKDUTUBQFHUBY-UHFFFAOYSA-N	236.167	3.185	0	50	BGAA	
c1ccc(COc2cccc3c2CCN3)cc1	26894105	QTWYAALXDJSCQC-UHFFFAOYSA-N	225.291	3.234	0	50	BGAA	in-vitro
Fc1cccc2nc(Cl)nc(Cl)c12	26894505	AXMYGHKVWFFYCR-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	
O=C(O)c1cccc(-c2cc(F)ccc2F)c1	33427480	BSGYKXSOLVCGPW-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
CCCc1nc(-c2ccc(OCC)cc2)c[nH]1	65530358	IYVBYPGYQASJMX-UHFFFAOYSA-N	230.311	3.428	0	50	BGAA	
NCCc1cccc(/C=C/c2ccccc2)c1	67773414	LKKGORSBBNBYAE-MDZDMXLPSA-N	223.319	3.358	0	50	BGAA	
FC(F)(F)[C@H](c1ccccc1)[C@@H]1CCCCN1	83323404	DWYITFYTKHCOSX-NWDGAFQWSA-N	243.272	3.475	0	50	BGAA	
N[C@@H]1CCC[C@@H]1c1ccc(Br)cc1	116757576	PUUZJUIUNQZUKQ-GHMZBOCLSA-N	240.144	3.044	0	50	BGAA	
C[C@H]1C[C@@H]1c1nc(-c2ccc3[nH]ccc3c2)no1	225590308	REBCAFXCQKUNRP-KWQFWETISA-N	239.278	3.341	0	50	BGAA	
CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	245725034	QTNWWIGMZKANTK-MELADBBJSA-N	237.387	3.461	0	50	BGAA	
Nc1c(Cl)ccc(Cl)c1OC(F)F	263625193	XPJODYYKFBHFDR-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
CCCc1ncc(-c2cccc(OC)c2OC)[nH]1	426431045	OYJVDNMHFPXTIB-UHFFFAOYSA-N	246.310	3.046	0	50	BGAA	
CCc1nc(C)cc(-c2cc(F)ccc2OC)n1	952976051	UIVXRJSAMGIFCE-UHFFFAOYSA-N	246.285	3.162	0	50	BGAA	
c1ccc(-c2nccn2Cc2cscn2)cc1	1875245113	KPLAPMUYCKLHPZ-UHFFFAOYSA-N	241.319	3.055	0	50	BGAA	
Cc1ccc(-c2ccccc2C(C)C)c[n+]1[O-]	1875322733	DSQBSBKUMXUJAD-UHFFFAOYSA-N	227.307	3.419	0	50	BGAA	
Cc1ccccc1C(=O)N1C[C@H](C)C[C@@H](C)C1	29298	HHZTUIRGKSHRNK-VXGBXAGGSA-N	231.339	3.113	0	50	BGAA	
O=Cc1ccccc1OCc1ccccc1	151777	PBEJTRAJWCNHRS-UHFFFAOYSA-N	212.248	3.078	0	50	BGAA	in-vitro
Cn1c(-c2ccc(C=O)s2)nc2ccccc21	442029	KWTIMXKKCXQFCD-UHFFFAOYSA-N	242.303	3.114	0	50	BGAA	
CCOc1ccc(NC(=O)C(CC)CC)cc1	453123	QQKCBEWZKZHJBH-UHFFFAOYSA-N	235.327	3.460	0	50	BGAA	
CC[C@H](C)NC(=O)c1ccc(C)cc1Cl	457962	CVDWHKQSAVZORC-VIFPVBQESA-N	225.719	3.177	0	50	BGAA	
CC(C)(C)c1cc(N)n(-c2cccc(Cl)c2)n1	2527285	IWCLOZVCLBLBQX-UHFFFAOYSA-N	249.745	3.405	0	50	BGAA	in-vitro
COc1cccc(COc2cccc(C=O)c2)c1	2558322	FDQLPUHWWLYVQV-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro
Cc1ccc(C(=O)N2CCCCCCC2)s1	13324160	UOGJODOMQGLJJE-UHFFFAOYSA-N	237.368	3.463	0	50	BGAA	
C[C@]12Oc3ccccc3[C@@H]1COc1ccccc12	71778195	OBFBQUXBXYBNCD-XJKSGUPXSA-N	238.286	3.470	0	50	BGAA	
CC[C@H](NC(=O)C(C)C)c1ccccc1C	72117606	FKMYRKFHKXEXKM-ZDUSSCGKSA-N	219.328	3.218	0	50	BGAA	
Cc1cc2ccc(Br)cc2cn1	95631052	JOKWNHBSFXTHRS-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
CC(C)CCCOC(=O)CCC(C)C	142041431	BQOKYGYERMXUDU-UHFFFAOYSA-N	200.322	3.402	0	50	BGAA	
Cc1ccc([C@@H](C)CC(=O)CC(C)(C)O)cc1	150010718	XOILAZXNTMGJRR-LBPRGKRZSA-N	234.339	3.219	0	50	BGAA	biogenic
CC(C)COc1ccc(Cl)c(O)c1	261494274	TYSHKUKZCHFSME-UHFFFAOYSA-N	200.665	3.080	0	50	BGAA	
Cc1n[nH]cc1-c1ccc(C(=O)C(C)C)s1	534588938	GBELQZOLFNLEEB-UHFFFAOYSA-N	234.324	3.285	0	50	BGAA	
COc1cccc(-c2ccc(C=O)s2)c1OC	725264096	JLBKSSQPVHJZAF-UHFFFAOYSA-N	248.303	3.245	0	50	BGAA	
Cc1ccc(CCC2(O)CCCCC2)cn1	191533	JBEZNCISOALXEL-UHFFFAOYSA-N	219.328	3.018	0	50	BGAA	
COC(=O)c1sc2cc(F)ccc2c1Cl	235755	GBCJKOYCWCNSAF-UHFFFAOYSA-N	244.674	3.480	0	50	BGAA	
CC(C)C(=O)C(C)(C)CCc1ccccn1	395015	AFRSTASSLOUGOV-UHFFFAOYSA-N	219.328	3.266	0	50	BGAA	in-vitro
S=c1[nH]c(S)nc2sc3c(c12)CCC3	2081817	HYQVUVNPPYQSDC-UHFFFAOYSA-N	240.378	3.131	0	50	BGAA	
CC(C)(CCCCCC(C)(C)C(=O)O)C(=O)O	3627252	UEZVTCSABYGOGY-UHFFFAOYSA-N	244.331	3.159	0	50	BGAA	
Nc1c2c(nc3ccccc13)CCCCC2	4978441	GOXLVSZAUDIXPN-UHFFFAOYSA-N	212.296	3.086	0	50	BGAA	
COC(=O)Cc1ccc(-c2ccccc2)cc1	5914592	SRIBJRZQDFBVQC-UHFFFAOYSA-N	226.275	3.069	0	50	BGAA	in-vitro
Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C)cc1C	6742672	HORJSKTWRAEGGR-OBJOEFQTSA-N	231.339	3.137	0	50	BGAA	
CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c(C)c1	13746230	UJXQNVODNUYTFD-OLZOCXBDSA-N	248.370	3.462	0	50	BGAA	
Clc1ccc(-c2ccccc2Cl)nn1	15021740	UTCVANDFQGNDKQ-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	in-vitro
CC[C@@H](N)c1ccccc1C(F)(F)F	16082635	GGMBEWCATHOITK-SECBINFHSA-N	203.207	3.115	0	50	BGAA	in-vitro
Oc1ccc(OCCc2ccccc2)cc1	34236890	URTDZYQAADWGFT-UHFFFAOYSA-N	214.264	3.014	0	50	BGAA	
CCC/C=C/c1ccc(C(=O)NC2CC2)cc1	67673814	VVVDUGFLVURCRY-SNAWJCMRSA-N	229.323	3.392	0	50	BGAA	
C[C@@H](CNCc1cnc2ccccc2c1)C1CC1	310577766	SHMIZBUMHYIRNC-LBPRGKRZSA-N	240.350	3.371	0	50	BGAA	
O=C(O)c1ccc(C(F)(F)F)c(F)c1Cl	396169209	YEIOOXKQWUDMRZ-UHFFFAOYSA-N	242.555	3.196	0	50	BGAA	
CCc1c(-c2ccc(OC(C)C)cc2)cnn1C	1506409083	VDVJETZHCIDQLN-UHFFFAOYSA-N	244.338	3.437	0	50	BGAA	
COc1cncc(NCc2cc(C)cc(F)c2)c1	2325868852	NFQKLTYYZVNPOH-UHFFFAOYSA-N	246.285	3.150	0	50	BGAA	
O=C(NC1CCCCCC1)c1ccccc1F	304519	MOQOXXSBTDZYIJ-UHFFFAOYSA-N	235.302	3.278	0	50	BGAA	
Cc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1	404109	WMJZITXAXMNGCH-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
OCc1cc(Cl)cc(Cl)c1Cl	2003300	MKERQGLKSFEKAE-UHFFFAOYSA-N	211.475	3.139	0	50	BGAA	in-vitro
Cc1ccc(-c2cccc(C(=O)O)c2)cc1	2565544	APYJGQZXCGXMGB-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	in-vitro
CN(C)CCCOc1ccc(C(C)(C)C)cc1	2822084	PMLCJKFAEQJPJR-UHFFFAOYSA-N	235.371	3.315	0	50	BGAA	
Cc1cc(C)cc(NC(=O)c2cccc(N)c2)c1	7468082	YFZPKHBDGWIZMN-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
Cc1cccc([C@H]2NCCc3ccccc32)c1	11597147	NLRPAYVOSIARFS-MRXNPFEDSA-N	223.319	3.230	0	50	BGAA	
Nc1ccc(Oc2ccccc2)c(F)c1	12395413	SYUZQKSUMLAOIB-UHFFFAOYSA-N	203.216	3.200	0	50	BGAA	
COc1ccc(-c2cc(C(F)F)n[nH]2)cc1	16159158	RQTLTZHBBOVPLZ-UHFFFAOYSA-N	224.210	3.023	0	50	BGAA	
O=C(O)c1ccccc1NCc1ccccc1F	19094057	ACDXVKCXKBSBGU-UHFFFAOYSA-N	245.253	3.136	0	50	BGAA	in-vitro
Clc1nc(Cc2ccccc2Cl)ns1	47218890	QAJQSIXMAOIPIO-UHFFFAOYSA-N	245.134	3.436	0	50	BGAA	
COC(=O)[C@@H]1CC[C@@H](C(C)(C)C)C[C@H]1C	248112269	NYEXNQKLWCUFKZ-GMTAPVOTSA-N	212.333	3.258	0	50	BGAA	
CC(C)=CCN1CCC([C@H]2CCCOC2)CC1	371644631	CCYWKFDYJOKEJW-HNNXBMFYSA-N	237.387	3.091	0	50	BGAA	
CC1(C)CCC[C@@H](CC(=O)Nc2cnccn2)C1	408241847	MXEJNCOBTMDBOE-NSHDSACASA-N	247.342	3.022	0	50	BGAA	
COc1cc(C)c(N)c2c1C(C)(C)C[C@H]2C	669375052	PTYUEZFDBIRXNB-SECBINFHSA-N	219.328	3.371	0	50	BGAA	
Cc1n[nH]cc1-c1ccc(Cl)c(F)c1	725272338	PCOWFPNLHXYMLE-UHFFFAOYSA-N	210.639	3.178	0	50	BGAA	
Oc1ncccc1-c1cnc2cc(F)ccc2c1	1241113359	JJIKKZKXEYQMCA-UHFFFAOYSA-N	240.237	3.142	0	50	BGAA	
Clc1cnc2cc(-c3cccnc3)ccn12	1875290288	NZLRUXKHKWDHJN-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
CC(C)(C)NC(=O)/C=C/c1ccc(Cl)cc1	63905	XSTZUHZREZVOJB-RMKNXTFCSA-N	237.730	3.268	0	50	BGAA	
CC(=O)c1csc(-c2ccccc2)n1	122487	ZOOGZFPRAKXWKI-UHFFFAOYSA-N	203.266	3.013	0	50	BGAA	in-vitro
C[C@H]1CC(C)(C)N=C(c2ccccc2)O1	155838	SWWPMSJGZDRNAG-JTQLQIEISA-N	203.285	3.021	0	50	BGAA	
CCOC(=O)c1sc(-c2ccccc2)cc1N	365893	ALFMTFUIVUKCCM-UHFFFAOYSA-N	247.319	3.174	0	50	BGAA	
COc1ccc(-c2cccc(C(=O)O)c2)cc1F	4204268	GHGPUBRBMIRIRH-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
C[C@H](CCCC(C)(C)O)NCc1ccccc1	4576905	OJBAKWHMDUKQLQ-CYBMUJFWSA-N	235.371	3.106	0	50	BGAA	
CCn1ccc2cc(Br)ccc21	6247327	LNBZVSDFWQIXHC-UHFFFAOYSA-N	224.101	3.424	0	50	BGAA	in-vitro
O=C(Nc1ccon1)c1cccc2ccccc12	13745708	KMOIBLDLWSDEBV-UHFFFAOYSA-N	238.246	3.080	0	50	BGAA	
COC(=O)c1cncc(-c2ccc(Cl)cc2)c1	16946634	AQMWNRLTJWPFFL-UHFFFAOYSA-N	247.681	3.189	0	50	BGAA	
FC(F)(F)c1ccc(CCn2ccnc2)cc1	35855572	VLTPUWOGFWGGNA-UHFFFAOYSA-N	240.228	3.145	0	50	BGAA	
CCCc1noc(C[C@@H]2CCc3ccccc32)n1	95374235	VORYZMJRPPFTTB-LBPRGKRZSA-N	242.322	3.295	0	50	BGAA	
C=C(C)C(=O)OC(C)(C)C1CCCCC1	113140216	OMPLGTOUDZNCGW-UHFFFAOYSA-N	210.317	3.465	0	50	BGAA	
c1csc(-c2nccn2Cc2cscn2)c1	165104611	BYHUUQIJUBIALX-UHFFFAOYSA-N	247.348	3.116	0	50	BGAA	
O=Cc1cc(Cl)c(F)cc1Br	263622875	BPFGNBIVQUWFIM-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
CCC(CC)NC(=O)c1cnc2ccccc2c1	293753495	MJMUHZIIFDTCJU-UHFFFAOYSA-N	242.322	3.153	0	50	BGAA	
CC(C)CS[C@@H]1CC(=O)CC[C@@H]1C	725360373	HKPFLYADEIYTEP-GXSJLCMTSA-N	200.347	3.133	0	50	BGAA	
C=CC(=O)NCC1CC(c2ccc(Cl)cc2)C1	1875367940	BXXMNNMSNUWPNC-UHFFFAOYSA-N	249.741	3.136	0	50	BGAA	
COc1ccc(-c2nc3ccccc3o2)cc1N	154610	AKUUHWRDNLCHCT-UHFFFAOYSA-N	240.262	3.086	0	50	BGAA	
Cc1ccc(C)c(NC(=O)NC(C)(C)C)c1	398348	DGCCDWYUJZTPPT-UHFFFAOYSA-N	220.316	3.223	0	50	BGAA	
CC(C)C(=O)Nc1ccccc1N1CCCCC1	569755	WGTAQJMGDZTBST-UHFFFAOYSA-N	246.354	3.271	0	50	BGAA	
Fc1c(F)c(F)c(Cl)c(F)c1F	1627043	KGCDGLXSBHJAHZ-UHFFFAOYSA-N	202.509	3.036	0	50	BGAA	in-vitro
Fc1cc(F)c(Cl)c(F)c1Cl	2539460	UOGVNYNJSZHQCN-UHFFFAOYSA-N	200.974	3.411	0	50	BGAA	in-vitro
CC(C)CCn1c(=S)[nH]c2ccccc2c1=O	2656619	LSEHNDFJELIFPG-UHFFFAOYSA-N	248.351	3.105	0	50	BGAA	
Cc1cccc(COc2cccc(C(=O)O)c2)c1	11802632	CPFXBFCQYVWPFP-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	in-vitro
Fc1ccc(NC(=S)Nc2cccnc2)cc1	15909386	VKAGEVMRXFAYGN-UHFFFAOYSA-N	247.298	3.030	0	50	BGAA	
CC1(C)CC(=O)c2ccc(Br)cc21	139050385	MVIGYOCYIUJCGE-UHFFFAOYSA-N	239.112	3.313	0	50	BGAA	
Cc1cc(Br)cnc1C(F)F	238471866	SAYQIHJISYNBEB-UHFFFAOYSA-N	222.032	3.090	0	50	BGAA	
ClC1(c2csc(-c3ccncc3)n2)CC1	818029950	SJVJJRXTILJTPY-UHFFFAOYSA-N	236.727	3.433	0	50	BGAA	
C/C=C(\CC)C(=O)NCc1csc(Cl)c1	1875298047	MYOOCFNGBDAETK-YCRREMRBSA-N	243.759	3.374	0	50	BGAA	
O=C1C[C@@H](c2ccccc2O)Oc2ccccc21	57927	KZKWCKFDCPVDFJ-HNNXBMFYSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vitro
CCc1cccc(C)c1NC(=O)c1ccncc1	119462	NRRMYFSCWAQAFU-UHFFFAOYSA-N	240.306	3.205	0	50	BGAA	
O=Cc1c(Cl)ccc(Cl)c1Cl	122709	AURSMWWOMOVHBM-UHFFFAOYSA-N	209.459	3.459	0	50	BGAA	in-vitro
O=C(O)c1cc2sccc2nc1C(F)(F)F	154245	KKNFNNOZJDSWKR-UHFFFAOYSA-N	247.197	3.013	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1	457213	OSVFLOPAUDCCRX-SNVBAGLBSA-N	248.326	3.020	0	50	BGAA	
CCCCOc1cccc2[nH]c(C(=O)O)cc12	4237849	BCQCVFOFRLIQMC-UHFFFAOYSA-N	233.267	3.045	0	50	BGAA	
C[C@@H]1CN(C(C)(C)C)CC[C@@]1(O)c1ccccc1	13635486	BXLPAZLWXATNBH-CJNGLKHVSA-N	247.382	3.015	0	50	BGAA	
CSc1cccc(NC(=O)N2CCCC2)c1	13737221	IXFGNPIYEYYBFM-UHFFFAOYSA-N	236.340	3.036	0	50	BGAA	
CNCCCCCCCCCCCCNC	15020241	WFAFNKFCDOBGST-UHFFFAOYSA-N	228.424	3.326	0	50	BGAA	
C[C@H](NC(=O)CC1CCCC1)c1ccccc1	17154646	XULZSXVEHUUOGA-LBPRGKRZSA-N	231.339	3.444	0	50	BGAA	
CC1=CC[C@]23CCC[C@]12[C@@H](O)CC3(C)C	43762164	UQFWXNLHZNDNJG-FPMFFAJLSA-N	206.329	3.284	0	50	BGAA	
Fc1cc2cc[nH]c2cc1Br	45074632	OIUXEDBYFWPCLF-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
Clc1nc(Cl)c2oc3ncccc3c2n1	115372273	MNUHJWKPRZOOLM-UHFFFAOYSA-N	240.049	3.078	0	50	BGAA	in-vitro
O=C(C[C@H]1C=CCCC1)N1CCCC2(CC2)C1	189242097	HTHNHKFZVUBXKE-ZDUSSCGKSA-N	233.355	3.135	0	50	BGAA	
NCc1cc(Cl)c(OC(F)F)c(Cl)c1	263623653	JJKXJBHBSCZJTR-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
C[C@@H]1CC(C)(C)N2COC(=O)c3cc(F)cc1c32	618256656	LBHCBNKHHOANNE-MRVPVSSYSA-N	249.285	3.046	0	50	BGAA	
CCOc1ccc(/C=C/C(=O)N[C@H](C)CC)cc1	302212	LZEXRTNIFSTXMA-JATZPVMKSA-N	247.338	3.013	0	50	BGAA	
COC(=O)c1cc2scc(Cl)c2s1	334540	ILIQEVWFLWYFLR-UHFFFAOYSA-N	232.713	3.403	0	50	BGAA	
NCc1sc2ccccc2c1Br	339135	BSJBWSGRKZKIJB-UHFFFAOYSA-N	242.141	3.123	0	50	BGAA	
O=C(Nc1ccccc1Cl)C1CCC1	383576	SZCKUZQHPIJKBF-UHFFFAOYSA-N	209.676	3.079	0	50	BGAA	
Cc1ccc(C)c(C(=O)N2CCCCCC2)c1	514773	FFHWCCSZTUWFSH-UHFFFAOYSA-N	231.339	3.320	0	50	BGAA	
Cc1ccc(S)c(Br)c1	2513939	MTCRYTAAUMTONR-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	in-vitro
COc1cc(C=O)ccc1OCc1cccs1	4205848	PYGQNTIOGIZNFR-UHFFFAOYSA-N	248.303	3.148	0	50	BGAA	
CCNCCOc1cc(C)ccc1C(C)C	6729027	MWMRFWDCCKZJKR-UHFFFAOYSA-N	221.344	3.107	0	50	BGAA	
O=C(O)c1ccc(CSc2ccccc2)o1	8381477	VCYCOVZXZLKXFK-UHFFFAOYSA-N	234.276	3.270	0	50	BGAA	in-vitro
Fc1cc(Cl)cc(NCC2CCOCC2)c1	124899856	LPXKTZJCXYEGIM-UHFFFAOYSA-N	243.709	3.318	0	50	BGAA	
CC[C@H]1CCCN(C[C@@H](O)c2ccccc2)CC1	226902454	YDLGKUJZGGBLQA-GOEBONIOSA-N	247.382	3.232	0	50	BGAA	
Cc1nnc2ncc(/C=C/C3CCCCC3)cn12	426544489	SHVIRDWYSPPUMZ-BQYQJAHWSA-N	242.326	3.026	0	50	BGAA	
COc1ccsc1CN[C@@]12CCCC[C@H]1C2	631228535	ZILWTUBQRUGCPG-GXFFZTMASA-N	237.368	3.179	0	50	BGAA	
O=Cc1ccc(-c2c(F)cccc2Cl)cn1	725271029	YLKLGYHTQAGKPD-UHFFFAOYSA-N	235.645	3.354	0	50	BGAA	
CCS[C@H]1CC(=O)CC[C@@H]1C(C)C	725359489	DCGOBLWHYKDIJS-MNOVXSKESA-N	200.347	3.133	0	50	BGAA	
CCOc1cccc(-c2ccncc2OC)c1	1241116325	HMBFEQAVBUBTAE-UHFFFAOYSA-N	229.279	3.156	0	50	BGAA	
O=c1oc(Cl)c(Cl)c2ccccc12	388510	SUGXUUGGLDCZKB-UHFFFAOYSA-N	215.035	3.100	0	50	BGAA	in-vivo
O[C@@H](c1ccccc1)c1ccccc1Cl	397826	JGDRELLAZGINQM-ZDUSSCGKSA-N	218.683	3.422	0	50	BGAA	biogenic,in-vitro
CSc1cccc(Br)c1	404107	NKYFJZAKUPSUSH-UHFFFAOYSA-N	203.104	3.171	0	50	BGAA	in-vitro
Cc1ccc(-c2nnc(-c3ccncc3)o2)cc1	436251	IMPVBOKJXFKFJV-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
C(=C/[C@@H]1CCCS1)\[C@@H]1CCCS1	2516999	QKVNENWEZGAWQE-QEBMPYFUSA-N	200.372	3.334	0	50	BGAA	
C[C@@H](N)c1cc(F)c(Cl)cc1Cl	4200305	UUGIXMDBIAKDBF-SCSAIBSYSA-N	208.063	3.152	0	50	BGAA	in-vitro
O=Cc1ccc(Cl)c(C(F)(F)F)c1	4253841	NIHMMULLFBKTOK-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
COc1ccccc1CCNC1CCC(C)CC1	4989433	LDUPWDNDAFEARI-UHFFFAOYSA-N	247.382	3.406	0	50	BGAA	
CC[C@H](NC(=O)c1ccco1)c1ccccc1	6741561	COBZLPKAPNWWOZ-LBPRGKRZSA-N	229.279	3.161	0	50	BGAA	
c1ccc(Nc2ncc3c(n2)CCCC3)cc1	67320870	CDYAOTQTBFPDQP-UHFFFAOYSA-N	225.295	3.099	0	50	BGAA	
Fc1cc(S)cc(Br)c1F	71792124	FXVDVEMXOWANJB-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
Cc1ccc(CC(=O)NC2CCCCC2)c(C)c1	72442374	HVSOMEQWUMMUIS-UHFFFAOYSA-N	245.366	3.295	0	50	BGAA	
Cc1cccc(Cc2nc(C)nn2C(C)(C)C)c1	95502019	LICMBZJYRYCPJG-UHFFFAOYSA-N	243.354	3.241	0	50	BGAA	
Cc1cc(-c2ccc(CN(C)C)cn2)ccc1F	97713481	IXMOCTUGPPIAKS-UHFFFAOYSA-N	244.313	3.258	0	50	BGAA	
CC(C)O[C@@H]1CCC[C@H]2[C@H]1C2(Cl)Cl	252430901	RBAFGMSRRPADJR-DJLDLDEBSA-N	223.143	3.384	0	50	BGAA	
CC[C@H](NC(=O)C(C)(C)C)c1ccc(C)cn1	584887372	DNSPTZFJMXDZSP-NSHDSACASA-N	234.343	3.003	0	50	BGAA	
Cc1cc(NC(=O)C(C2CC2)C2CC2)cnc1C	893814836	MPSFTGKYNHPZCP-UHFFFAOYSA-N	244.338	3.073	0	50	BGAA	
Cc1ccc(CNC(=O)c2ccc(F)cc2)cc1	29780	DZWRECUKOMUNER-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
COc1ccc(C(=O)Nc2ccccc2C)cc1	258922	KXFNQLVXALXXGN-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	biogenic,in-vitro
CC(C)(C)c1ccc(OCCCC(=O)O)cc1	1777745	SBRAJDSNLRABGN-UHFFFAOYSA-N	236.311	3.228	0	50	BGAA	
C[C@H](N)c1cccc(NC(=O)OC(C)(C)C)c1	6732179	IUBFAZSFGODJPA-VIFPVBQESA-N	236.315	3.053	0	50	BGAA	
C=C1c2cc(C)c(C)cc2NC(=O)N1CC	55568600	XDIWHTGSDIVCRH-UHFFFAOYSA-N	216.284	3.142	0	50	BGAA	
Cc1cc(F)c2ncc(Br)cc2c1	95883881	FODFXMHHVCMWHQ-UHFFFAOYSA-N	240.075	3.445	0	50	BGAA	in-vitro
O=S=Nc1c(Cl)cccc1Cl	96032108	VXAAXKHKIPTCJD-UHFFFAOYSA-N	208.069	3.022	0	50	BGAA	
Cc1nccc(-c2ccc3sc(C)nc3c2)n1	1243934409	CEZIZNNCLFFVSL-UHFFFAOYSA-N	241.319	3.370	0	50	BGAA	
O=C(O)/C=C/c1ccc(Cl)c(Cl)c1	56453	RRLUFPHCTSFKNR-DUXPYHPUSA-N	217.051	3.091	0	50	BGAA	biogenic,in-vitro
CC(=O)Nc1ccc(Br)c(Cl)c1	126899	BVADKOYGDKTWMU-UHFFFAOYSA-N	248.507	3.061	0	50	BGAA	in-vitro
CC[C@@H](Sc1ccc2ccccc2n1)C(=O)O	324482	QZKXJMHSAGBJLS-LLVKDONJSA-N	247.319	3.190	0	50	BGAA	
Cc1cc(C)c2cc(C=O)c(Cl)nc2c1	333764	DIMGKYRNZAHUIS-UHFFFAOYSA-N	219.671	3.318	0	50	BGAA	in-vitro
Oc1ccc(-c2ccc(F)cc2F)cc1	395754	ASOVDRYKVVVCIA-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	
O=C(O)Cc1ccc(Oc2ccccc2)cc1	395757	VARVNFDGRLLTCI-UHFFFAOYSA-N	228.247	3.106	0	50	BGAA	in-vitro
O=C(O)c1ccc(OCCc2ccccc2)cc1	1609672	FRQLEOHJRISXFC-UHFFFAOYSA-N	242.274	3.006	0	50	BGAA	
CCCCC(=O)Nc1cccc(C)c1C	2057615	RKWPADFNXUPSIP-UHFFFAOYSA-N	205.301	3.432	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cccc(F)c1	2523072	ZTELOKGOCXECBW-UHFFFAOYSA-N	211.236	3.173	0	50	BGAA	in-vitro
c1ccc2c(Cn3ccnc3)cccc2c1	4129603	MMPXKUSIQTTZCJ-UHFFFAOYSA-N	208.264	3.085	0	50	BGAA	
COc1ccc([C@@H](O)c2cccc(Cl)c2)cc1	4242588	LNBBNIDRDBLRME-CQSZACIVSA-N	248.709	3.430	0	50	BGAA	in-vitro
COc1ccccc1CCN[C@@H]1CCC[C@@H](C)C1	4989460	XZXUVOKVGKVQFF-UKRRQHHQSA-N	247.382	3.406	0	50	BGAA	
CC1(C)CC(=O)c2nc(-c3ccccc3)[nH]c2C1	12323924	WCOSXRWCGAWZNR-UHFFFAOYSA-N	240.306	3.232	0	50	BGAA	
CCC[C@@H](CC)Nc1nc(C)nc2oc(C)nc12	55271560	UNOIRBQSLUVFSH-SNVBAGLBSA-N	248.330	3.225	0	50	BGAA	
Fc1c(Cl)ccc(Br)c1F	63339659	NLNGUQIWICXNKO-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	
CCOC(=O)CCCSc1cccc(C)c1	96024715	ZLCXGXWNMOTVRN-UHFFFAOYSA-N	238.352	3.430	0	50	BGAA	
Cc1c(Br)ccc2[nH]ccc12	96379093	CEJDMMBUVBNTEM-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
Fc1cc2occc2cc1Br	160211637	BHLGVJAMAUEQIY-UHFFFAOYSA-N	215.021	3.334	0	50	BGAA	
CCOC(=O)[C@@H]1CCCc2c1[nH]c1ccccc21	166286297	UCJOHLQUKMIPLD-GFCCVEGCSA-N	243.306	3.151	0	50	BGAA	
Cc1ccc(Sc2ccncn2)cc1C	170590987	DXIBONXIQJDVHV-UHFFFAOYSA-N	216.309	3.245	0	50	BGAA	
Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1	225276120	XSXCVLVHQBFNBI-YDHLFZDLSA-N	243.350	3.222	0	50	BGAA	
CC(C)C(=O)N1[C@H](C)C[C@H](c2ccccc2)[C@H]1C	247527532	WXFMAQTUAOEMHJ-NFAWXSAZSA-N	245.366	3.436	0	50	BGAA	
CC(C)n1cncc1CN1C[C@H]2CCC[C@@H](C2)C1	335112156	UMSDSHQAWDOYRF-KBPBESRZSA-N	247.386	3.086	0	50	BGAA	
Clc1ncccc1-c1noc(C2CCC2)n1	725273610	OUEASCVPEDRPOH-UHFFFAOYSA-N	235.674	3.053	0	50	BGAA	
CN(Cc1ccc2c(c1)OCO2)C1CCCCC1	44124	ZHOJUOUECSNKEN-UHFFFAOYSA-N	247.338	3.180	0	50	BGAA	
O=C1C[C@@H](c2ccccc2)Oc2ccccc21	58114	ZONYXWQDUYMKFB-HNNXBMFYSA-N	224.259	3.393	0	50	BGAA	biogenic,in-vivo
O=C(O)c1sc2ccccc2c1Cl	66959	HJTMIYKPPPYDRJ-UHFFFAOYSA-N	212.657	3.253	0	50	BGAA	in-vitro
Cc1cc(=O)oc2c(C)c3occc3cc12	215388	JLYPOISSVAJQID-UHFFFAOYSA-N	214.220	3.156	0	50	BGAA	biogenic
CC(=O)Oc1ccc(-c2ccccc2)cc1	225422	MISFQCBPASYYGV-UHFFFAOYSA-N	212.248	3.279	0	50	BGAA	in-vitro
CCc1ccccc1NC(=O)c1ccc(C)o1	375570	JTZJEXLBMAGPSX-UHFFFAOYSA-N	229.279	3.403	0	50	BGAA	
O=C(Nc1ccccc1)OCc1ccco1	396559	GMYLCNWXXSTPJU-UHFFFAOYSA-N	217.224	3.028	0	50	BGAA	
O[C@H]1/C(=C/c2cccs2)Oc2ccccc21	1074450	MYNXYVXHUPQZDJ-LLBKUYECSA-N	230.288	3.215	0	50	BGAA	
CC(C)(C)c1ccc(N)cc1Br	1583290	AXNHKDCJNXKFFT-UHFFFAOYSA-N	228.133	3.329	0	50	BGAA	in-vitro
COc1ccc(-c2cnccc2C)c(OC)c1	65382912	SZBDJISJDFKKRZ-UHFFFAOYSA-N	229.279	3.074	0	50	BGAA	
COC(=O)c1ccc(-c2ccco2)cc1Cl	95218060	QVPUCWHMEKRYQN-UHFFFAOYSA-N	236.654	3.387	0	50	BGAA	
Cc1ccc(OCc2nccs2)cc1F	192577559	QSAACWIMVIZHIQ-UHFFFAOYSA-N	223.272	3.170	0	50	BGAA	
Fc1oc(-c2ccccc2)nc1C(F)(F)F	196423459	PWMKGRHSCBQLQG-UHFFFAOYSA-N	231.148	3.500	0	50	BGAA	in-vitro
Cn1nccc1-c1ccc2cccc(Cl)c2n1	426434827	IXOKAYNKJCOSRK-UHFFFAOYSA-N	243.697	3.289	0	50	BGAA	
CC(C)n1nccc1-c1cccc2c1OCC2	426623203	KBJKKEPFTVVJDC-UHFFFAOYSA-N	228.295	3.066	0	50	BGAA	
CC(C)c1ccc(Br)c(C=O)c1	694941892	MXNKPUSNGVUGLV-UHFFFAOYSA-N	227.101	3.385	0	50	BGAA	
O=C(Oc1ccccc1)c1cccc2[nH]ccc12	747350750	RHFCAFNGOSJTGR-UHFFFAOYSA-N	237.258	3.387	0	50	BGAA	
CCn1cc(-c2cnc3cccc(F)c3c2)cn1	1240651565	HFIWEOHBVSILFH-UHFFFAOYSA-N	241.269	3.257	0	50	BGAA	
COC(=O)/C(=C/c1cccs1)c1ccccc1	170044	WFKFCKVQAHHJOW-JLHYYAGUSA-N	244.315	3.462	0	50	BGAA	
CC(C)Cc1cc(C(=O)O)c2ccccc2n1	2574796	FTAADMSZKWMHEV-UHFFFAOYSA-N	229.279	3.132	0	50	BGAA	biogenic,in-vitro
Cc1ccc(NC(=O)c2ccccc2)c(F)c1	7265135	NSKSDMPHKRABEP-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
O=C(O)c1cc2cccc(Cl)c2s1	8730033	AAXOHLXWCUMMQS-UHFFFAOYSA-N	212.657	3.253	0	50	BGAA	in-vitro
COc1cccc(C(=O)N2[C@@H](C)CCC[C@H]2C)c1	12341600	PYABAWMPQQPHIA-TXEJJXNPSA-N	247.338	3.098	0	50	BGAA	
Clc1cc(Cl)cc(NC[C@H]2CCCN2)c1	12404762	DNGUMKMIOVOWJI-SNVBAGLBSA-N	245.153	3.157	0	50	BGAA	in-vitro
FC(F)(F)c1cc(-c2ccccc2)n[nH]1	14808443	KJKWJOAARUHGNU-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	in-vitro
CCC(=O)c1ccccc1Br	21298612	SFCCOHHWKRVDHH-UHFFFAOYSA-N	213.074	3.042	0	50	BGAA	
Cc1ccc(Br)cc1S	36533084	SFFDMQAUOUPZMM-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
O=C(Cc1ccc(F)cc1)c1cccc(F)c1	37992306	FQHVPUTYTIBCJC-UHFFFAOYSA-N	232.229	3.390	0	50	BGAA	
CC1(C)C[C@@]2(C)CC=C[C@]23[C@H]1C=C[C@@]3(C)O	71786160	XXZDMCQDPKQKSW-MYPMTAMASA-N	218.340	3.306	0	50	BGAA	
CC1(C)C[C@@]2(C)CC=C[C@@]23[C@@H]1C=C[C@@]3(C)O	71786161	XXZDMCQDPKQKSW-NMFUWQPSSA-N	218.340	3.306	0	50	BGAA	
C[C@H]1CC(C)(C)C[C@@H]1NCCc1cscn1	192391329	ZCANNTWZCNKBDG-JQWIXIFHSA-N	238.400	3.100	0	50	BGAA	
C[C@H]1CN(CC2=CC[C@H]3C[C@H]2C3(C)C)C[C@H](C)O1	822439374	FRFGTRYRIUTDCX-NZBPQXDJSA-N	249.398	3.088	0	50	BGAA	
CO[C@H](C)c1ccc(-c2ccc(O)c(C)n2)cc1	2356165443	IPXAZZACNWVTIF-LLVKDONJSA-N	243.306	3.470	0	50	BGAA	
Nc1cc(C(F)(F)F)ccc1N1CCCCC1	68231	BERRRZOJDANPHE-UHFFFAOYSA-N	244.260	3.278	0	50	BGAA	in-vitro
CCOc1ccccc1OC(=O)C(C)(C)C	149143	UVRKOCMOOXUSGX-UHFFFAOYSA-N	222.284	3.037	0	50	BGAA	
Cc1ccc(C(=O)N2CCC(C)CC2)cc1C	288424	CTLLIIRUGKHWKZ-UHFFFAOYSA-N	231.339	3.176	0	50	BGAA	
CO[C@H]1CCCC[C@H]1NC1CCCCCC1	292980	JZDQZLOTEYWYNS-KGLIPLIRSA-N	225.376	3.256	0	50	BGAA	
CCN(C(=O)C(C)C)c1ccccc1C	394443	ILCXMEURTBINDK-UHFFFAOYSA-N	205.301	3.004	0	50	BGAA	
CC(C)=CCc1c(O)ccc2ccc(=O)oc12	1618130	RAKJVIPCCGXHHS-UHFFFAOYSA-N	230.263	3.007	0	50	BGAA	endogenous,in-man
Cc1ccc(C)c(-c2cn3cccnc3n2)c1	4235068	XDGXLWAETKHBJF-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	in-vitro
c1c(C2CCCCC2)n[nH]c1CN1CCCCC1	5072876	XKNXSIOHXSOBAB-UHFFFAOYSA-N	247.386	3.443	0	50	BGAA	
CC(C)(CC(=O)O)c1ccc2c(c1)CCCC2	5284378	OMKAWJWAFQBLJV-UHFFFAOYSA-N	232.323	3.318	0	50	BGAA	
Cc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1	6729068	PFIVSZRTTPTWFN-DZGCQCFKSA-N	245.366	3.232	0	50	BGAA	
CC[C@H](N)c1cccc(C(F)(F)F)c1	8698408	ZZTDGFLVDISOIK-VIFPVBQESA-N	203.207	3.115	0	50	BGAA	in-vitro
CC[C@H](C)NC(=O)N[C@H](C)c1ccc(C)cc1	13745887	ANRBQMHVGXOLNO-NWDGAFQWSA-N	234.343	3.154	0	50	BGAA	
Clc1ccc(-c2ccnc3ccnn23)cc1	32103342	WXKDQMXDYXOKPT-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
CCO[C@@H](CC)c1nncn1-c1cccc(C)c1	67880168	OANYSNCKCQXQQD-ZDUSSCGKSA-N	245.326	3.063	0	50	BGAA	
CCCCCc1cccc(C(=O)OC)c1OC	71773707	PFUZUISSWMLHOB-UHFFFAOYSA-N	236.311	3.215	0	50	BGAA	
Oc1cccc2scc(Br)c12	114830821	BIXYSKIJYNQIGR-UHFFFAOYSA-N	229.098	3.369	0	50	BGAA	in-vitro
C[Si](C)(C)CCC[C@@H](O)C(F)(F)F	196738072	VXBJSEVJPWLJLL-SSDOTTSWSA-N	214.303	3.028	0	50	BGAA	
COc1ccc(Cl)cc1OCC(C)C	261494314	UUSGHRQBVUWYQX-UHFFFAOYSA-N	214.692	3.383	0	50	BGAA	
CCC(=O)Nc1ccc2c(c1)CCCCC2	404688278	NGIPFCYFIRYXLB-UHFFFAOYSA-N	217.312	3.304	0	50	BGAA	
CC(C)[C@H](C)O[C@H]1CC(=O)CCC1(C)C	725359545	DLYUSGLNWSAHPZ-JQWIXIFHSA-N	212.333	3.195	0	50	BGAA	
Brc1ccc2c(c1)NCC1CC2C1	1775956145	VHQRHOOTWCMGGE-UHFFFAOYSA-N	238.128	3.368	0	50	BGAA	
O=C(Oc1ccccc1)C1[C@H]2CCCC[C@H]12	301238	FWCAIPYXFUGLMN-RYUDHWBXSA-N	216.280	3.028	0	50	BGAA	
Cc1ccc(-c2nc3ccccc3n2C)o1	315978	MBTPAVDRBHQQTE-UHFFFAOYSA-N	212.252	3.142	0	50	BGAA	
CC(=O)Nc1nc2c(ccc3ccccc32)s1	319613	VHOMPDNBVNOAKT-UHFFFAOYSA-N	242.303	3.408	0	50	BGAA	
COc1ccc(Cl)cc1[C@H]1CCCCN1	2534018	NLOGRNGKMMVGMQ-LLVKDONJSA-N	225.719	3.163	0	50	BGAA	in-vitro
CC(C)OP(=O)(OC(C)C)c1ccccc1	3086394	CTLLAZAHTUAAGH-UHFFFAOYSA-N	242.255	3.355	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)Nc1ccccc1F	6409434	HCFOWNGNAZQPQA-SNVBAGLBSA-N	236.290	3.232	0	50	BGAA	
Nc1ccc(N2CCCCCC2)c(Cl)c1	8701178	LIAOLOQHONGCKV-UHFFFAOYSA-N	224.735	3.303	0	50	BGAA	in-vitro
O=C(/C=C/c1ccccc1)OCc1ccccc1	12358883	NGHOLYJTSCBCGC-VAWYXSNFSA-N	238.286	3.443	0	50	BGAA	biogenic,in-vitro
CCC[C@H](C)NC(=O)Nc1ccc(C)c(F)c1	13320219	BKCYJHKHQPIRCK-JTQLQIEISA-N	238.306	3.444	0	50	BGAA	
Nc1cccc(-c2noc(-c3cccs3)n2)c1	32918185	CGVUEUBCUNYEAU-UHFFFAOYSA-N	243.291	3.047	0	50	BGAA	
CCC(CC)c1nccn1Cc1ccncc1	67490472	JWASFNWQAZGDMH-UHFFFAOYSA-N	229.327	3.230	0	50	BGAA	
CCC(CC)NC(=O)Cc1cccc(Cl)c1	67788524	WQYKUHGKBWKKTQ-UHFFFAOYSA-N	239.746	3.187	0	50	BGAA	
C[C@H]1CCCN(Cc2ccc3ncccc3c2)C1	157687731	OVLNJCLECPELON-ZDUSSCGKSA-N	240.350	3.467	0	50	BGAA	
Cc1cc(OCc2ccc(F)cc2)ccn1	170619683	BIQGVZLPKMOQFA-UHFFFAOYSA-N	217.243	3.108	0	50	BGAA	
CC(=O)c1ccc(Oc2ccccc2F)nc1	212869905	UFIGSQLJQTYBCP-UHFFFAOYSA-N	231.226	3.216	0	50	BGAA	
O=C(c1ccccc1)c1coc2ccc(O)cc12	36639	HDHPCXZMHILLOZ-UHFFFAOYSA-N	238.242	3.369	0	50	BGAA	biogenic
CC(C)CNC(=O)Nc1cccc(Cl)c1	95111	KLOATSBFXVNNHE-UHFFFAOYSA-N	226.707	3.118	0	50	BGAA	
Cc1c(C)c2cc3c(C)coc3cc2oc1=O	95207	AKNNLKCBKRCSFS-UHFFFAOYSA-N	228.247	3.464	0	50	BGAA	biogenic
COc1ccccc1NC(=O)C1CCCCC1	112142	ONJCGOKTNJHZLI-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	biogenic
Cc1sc2ccccc2[n+]1C(C)(C)C	392978	YLASAYZIJRAMFG-UHFFFAOYSA-N	206.334	3.252	0	50	BGAA	
c1ccc(SCn2nnc3ccccc32)cc1	396146	OEGFHZKARGKVAQ-UHFFFAOYSA-N	241.319	3.181	0	50	BGAA	
COc1cc(Br)ccc1Cl	403364	UAMVKOTWSHJOSY-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	in-vitro
CSc1nc(Cl)c2sccc2n1	1394043	YKVAWSVTEWXJGJ-UHFFFAOYSA-N	216.718	3.067	0	50	BGAA	
CC(C)(C)c1ccc(-c2cnoc2N)cc1	4839839	XVNQLQVQPSTWOJ-UHFFFAOYSA-N	216.284	3.221	0	50	BGAA	in-vitro
O=C1CCCc2sc3c(c2N1)CCCCC3	4956323	ZUKGKVKNHLJLCX-UHFFFAOYSA-N	235.352	3.292	0	50	BGAA	
OCCN(Cc1ccccc1)CC1CCCCC1	6492157	RZWUHDHJWWDPDK-UHFFFAOYSA-N	247.382	3.061	0	50	BGAA	
COc1ccc([C@@H](N)c2ccc(Cl)cc2)cc1	12650694	CCICTLJYDLLZDO-AWEZNQCLSA-N	247.725	3.397	0	50	BGAA	
Cc1nn(-c2ccccc2)c2nc(C(C)C)[nH]c12	23580776	OHEIVGJCJDZRQG-UHFFFAOYSA-N	240.310	3.180	0	50	BGAA	
O=C1CSC2(CCCCC2)N1c1ccccc1	39233765	SPPCPGUEACKLRI-UHFFFAOYSA-N	247.363	3.427	0	50	BGAA	
O=C(O)CC1(CC(=O)c2ccccc2)CCCC1	40224352	WGSPBLUNWXLWJB-UHFFFAOYSA-N	246.306	3.295	0	50	BGAA	
Clc1cc(Br)c2oncc2c1	84235826	HCDGSNNVDFZCJI-UHFFFAOYSA-N	232.464	3.244	0	50	BGAA	in-vitro
C=CC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1	585140739	MWNDORQWIPWZRU-GDBMZVCRSA-N	241.334	3.100	0	50	BGAA	
CC(=O)[C@@H]1COc2c(Cl)cc(Cl)cc2C1	675064206	XLFAUDACEJLIQK-QMMMGPOBSA-N	245.105	3.134	0	50	BGAA	
Cc1cc(F)ccc1N[C@@H](C)Cc1ccno1	952995034	AWNZWZJFKNYQCC-JTQLQIEISA-N	234.274	3.165	0	50	BGAA	
Oc1ccc(-c2cnc3cccc(F)c3c2)nc1	1875242304	RMDAUFVVHGHPBR-UHFFFAOYSA-N	240.237	3.142	0	50	BGAA	
Clc1ncnc2sc3c(c12)CCCC3	78242	PRNJDUCSVXTOTN-UHFFFAOYSA-N	224.716	3.224	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)NC2CCCCC2)c1	395293	HCMVYMNNVUNYNW-UHFFFAOYSA-N	232.327	3.449	0	50	BGAA	
COC(=O)Nc1nc(-c2ccccc2)c(C)s1	995592	BGGLLMLUCHWGJR-UHFFFAOYSA-N	248.307	3.297	0	50	BGAA	
CCOC(=O)c1cnc2c(C)cccc2c1Cl	2555738	PGGVUZUNDXCMSS-UHFFFAOYSA-N	249.697	3.373	0	50	BGAA	in-vitro
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1O	3128015	MTDQUGFHWNNIRX-ARBMWOJTSA-N	236.314	3.274	0	50	BGAA	
O=C(O)c1cc2c(Cl)cccc2s1	4200409	IPAXPERGAMNMIJ-UHFFFAOYSA-N	212.657	3.253	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(F)c(Cl)c2)o1	4868352	MGUVQRGVUWXOGD-UHFFFAOYSA-N	240.617	3.437	0	50	BGAA	in-vitro
CC(C)N[C@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	5043385	ITAAOLAOFMHPDF-UWJCENJNSA-N	249.398	3.158	0	50	BGAA	
CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)O	6048916	MXEFDHYPAAYIAX-QMMMGPOBSA-N	249.093	3.235	0	50	BGAA	
C[C@@H]1CCCCN1c1ccc(Cl)cc1N	8702470	GUYKONGIFFZKQY-SECBINFHSA-N	224.735	3.301	0	50	BGAA	in-vitro
CNc1ccc(OCc2ccccc2)cc1	12956141	BCSUDKSCMABXKY-UHFFFAOYSA-N	213.280	3.307	0	50	BGAA	
Cc1ccc(Nc2cc(Cl)nc(N)n2)c(C)c1	59916481	YQQIKPGDGGKBBU-UHFFFAOYSA-N	248.717	3.073	0	50	BGAA	
COC(=O)c1cc(F)cc(-c2cccc(F)c2)c1	97757236	ZZDGHYIWZNYHAD-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CCCCOc1cc(Cl)ccc1O	261493672	GVFLSOCCBASVBJ-UHFFFAOYSA-N	200.665	3.225	0	50	BGAA	
C[C@H]1CCC(=O)C[C@H]1OC1CCCCC1	725363012	WMCQHYAITSZOIQ-GXFFZTMASA-N	210.317	3.093	0	50	BGAA	
CCCc1nc(N2CCC[C@](C)(CC)C2)no1	823023319	HAWQXPAMUGMDHO-ZDUSSCGKSA-N	237.347	3.039	0	50	BGAA	
O=C(NC1CCCCCCC1)c1ccccc1O	71580	MRBSNCWFEALXNY-UHFFFAOYSA-N	247.338	3.235	0	50	BGAA	
CCOC(=O)Nc1c(C)cccc1Cl	397265	OXUCBILSFSUFLO-UHFFFAOYSA-N	213.664	3.217	0	50	BGAA	
Cc1cccc(NC(=O)N2CCCC[C@@H]2C)c1	401905	LHTIVFZVMNCVLX-LBPRGKRZSA-N	232.327	3.401	0	50	BGAA	
CCC(CC)C(=O)Nc1ccccc1C	441460	ZAORSXASWVLCOO-UHFFFAOYSA-N	205.301	3.370	0	50	BGAA	
CCCCNC(=O)Nc1ccccc1Cl	1640236	WYJRPYJAYCMHLV-UHFFFAOYSA-N	226.707	3.262	0	50	BGAA	
O=C(Nc1cc(F)ccc1F)C1CCCCC1	2869499	GYRPFESAHSFZDH-UHFFFAOYSA-N	239.265	3.484	0	50	BGAA	
N[C@H]1CC2(CCCCC2)Oc2ccccc21	11730162	PFYRBUIZTFCYNP-LBPRGKRZSA-N	217.312	3.172	0	50	BGAA	
C[C@@H](O)c1c(Cl)ccc(F)c1Cl	12506508	JAOYKRSASYNDGH-SCSAIBSYSA-N	209.047	3.186	0	50	BGAA	in-vitro
S=c1nc(/C=C\c2ccccc2)cc[nH]1	12959448	HAKWVAGTNKSIMK-SREVYHEPSA-N	214.293	3.310	0	50	BGAA	
CC1=CC(C)=N/C1=C/c1[nH]c(C)cc1C	31555600	VEDYKOPETFAIJI-NTUHNPAUSA-N	200.285	3.393	0	50	BGAA	
CSC(C)(C)CN[C@H]1CCC12CCC2	225733305	GQPXSGVZKUPEQI-JTQLQIEISA-N	213.390	3.050	0	50	BGAA	
COC(=O)/C=C/c1ccc(OC)c(C(C)(C)C)c1	155457	AOUBBWWYZNLXHV-VQHVLOKHSA-N	248.322	3.179	0	50	BGAA	
O=C(O)[C@@H]1CC1(c1ccccc1)c1ccccc1	285756	YITOQLBHYDWJBQ-AWEZNQCLSA-N	238.286	3.077	0	50	BGAA	biogenic
Cc1cc(C)cc(NC(=S)NCC(C)C)c1	307489	YLJQBNGVRBIAHU-UHFFFAOYSA-N	236.384	3.246	0	50	BGAA	
Cc1cc(C(=O)Nc2cccc(F)c2)c(C)o1	371294	COQHXTDXWQCKRF-UHFFFAOYSA-N	233.242	3.288	0	50	BGAA	
Cc1ccc(OCc2ccccc2)c(C=O)c1	1056808	URUADHCSAWIRCM-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
Cc1ccc(-c2nc(C)sc2CC(=O)O)cc1	2879484	GZMQGCVFOABLQQ-UHFFFAOYSA-N	247.319	3.054	0	50	BGAA	
COC(=O)c1cc2c(cc(F)c3ccccc32)[nH]1	4237889	VVHWLARJFBEGIH-UHFFFAOYSA-N	243.237	3.247	0	50	BGAA	
O=C(O)c1ccc(F)c(Oc2ccccc2)c1	6116036	VLXNXMTVRWIUJZ-UHFFFAOYSA-N	232.210	3.316	0	50	BGAA	
C[C@@H](c1ccncc1)[C@@H](C)c1ccncc1	8700999	XGJXWHRUXUVTKK-VXGBXAGGSA-N	212.296	3.384	0	50	BGAA	
Nc1ncc(-c2ccccc2-c2ccccc2)cn1	32529754	YBDYZMGNEKMNEQ-UHFFFAOYSA-N	247.301	3.393	0	50	BGAA	
Fc1ccc(OCC2CC2)c(Br)c1	36765373	DMBRHDBGDYLULL-UHFFFAOYSA-N	245.091	3.377	0	50	BGAA	in-vitro
Cc1cc(-c2ccc(C=O)s2)ccc1O	65340319	WMFSUIOAALVBME-UHFFFAOYSA-N	218.277	3.242	0	50	BGAA	
CN(C(=O)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21)C1CCCCC1	246441225	DTHKKGXPUNZBNR-XSXPHNMFSA-N	247.382	3.070	0	50	BGAA	
O=Cc1ccc(Cl)c(Cl)c1OC(F)F	263622735	AKAWYKVHIGSQFT-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
CCOC(=O)Cc1c(Cl)cc(C)cc1Cl	263623460	HROPIGAESHXDLD-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
C=CC(=O)N[C@@H]1CCC[C@H]1CCc1ccccc1	1875376357	UENRUMDWVWKEJI-LSDHHAIUSA-N	243.350	3.090	0	50	BGAA	
c1ccc(-c2cccc(-c3ccccn3)n2)nc1	9065	DRGAZIDRYFYHIJ-UHFFFAOYSA-N	233.274	3.206	0	50	BGAA	in-vivo
O=Cc1cn(-c2ccccc2)nc1-c1ccccc1	59446	LZGBMIZREYTWRI-UHFFFAOYSA-N	248.285	3.352	0	50	BGAA	biogenic,in-vitro
CCOc1ccc2cc(C=O)c(Cl)nc2c1	245182	IIWVEXSCELRQAP-UHFFFAOYSA-N	235.670	3.099	0	50	BGAA	in-vitro
CCOc1ccc(NC(=O)C(C)(C)C)cc1	401760	VCJDMOQWPYFCQB-UHFFFAOYSA-N	221.300	3.070	0	50	BGAA	
CC[C@H](NC(=O)c1ccoc1C)c1ccccc1	1002005	MDPYZTKLYAXSCN-AWEZNQCLSA-N	243.306	3.469	0	50	BGAA	
CCCC[C@H](CC)C(=O)N1CCCCC1	5793117	SZYCXOVPLQUANC-LBPRGKRZSA-N	211.349	3.215	0	50	BGAA	
CC(=O)c1ccc(Oc2cccc(F)c2)nc1	212857959	BCROGESZMGKODY-UHFFFAOYSA-N	231.226	3.216	0	50	BGAA	
Cc1cc(Br)cc2c1CCCN2	216202098	QFBDRSYDLHZJCD-UHFFFAOYSA-N	226.117	3.116	0	50	BGAA	
CCCC[C@@H](NCC)C(=O)c1ccccc1	238793960	CWNKMHIETKEBCA-CYBMUJFWSA-N	219.328	3.038	0	50	BGAA	in-vitro
Cc1occc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	245200749	CIZHXHVTJZNVTD-XVSYOHENSA-N	247.338	3.143	0	50	BGAA	
Cc1cc(CN(C)[C@H]2CCC(C)(C)C2)ccn1	527538833	JSVSZBRDMNMHID-AWEZNQCLSA-N	232.371	3.401	0	50	BGAA	
CC1(C)CCC(=O)C[C@H]1OC1CCCC1	725362237	QXGGXTGBXXQQEM-GFCCVEGCSA-N	210.317	3.093	0	50	BGAA	
CC[C@]12C[C@@H]3C[C@H](C1)C[C@@](OCCCO)(C3)C2	1083104334	GXKSHEYJWHDGDJ-BIQWYFBQSA-N	238.371	3.134	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2nc(C)cnc2C)cc1	1506416095	TYNRBJNLGBASBU-LBPRGKRZSA-N	242.322	3.468	0	50	BGAA	
COc1nc2ccccc2cc1-c1cscn1	1875243040	MRLUAGZOHKFAJJ-UHFFFAOYSA-N	242.303	3.367	0	50	BGAA	
C1=CC[C@@H](c2nccn2Cc2ccncc2)CC1	1875249063	BROHLPXMQAMHHW-CQSZACIVSA-N	239.322	3.150	0	50	BGAA	
Cc1occc1C(=O)Nc1ccc(F)c(F)c1	113587	PEICXOMPCKJBMY-UHFFFAOYSA-N	237.205	3.119	0	50	BGAA	
CCc1ccccc1NC(=O)c1ccoc1C	375634	JZTSSARUQNMEMO-UHFFFAOYSA-N	229.279	3.403	0	50	BGAA	
Cc1ccc(C(=O)Nc2cc(C)ccc2O)cc1	383803	MBNCZEQJYCXWNZ-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
Cc1ccc2nc(-n3cccc3C=O)sc2c1	1527299	XAKRQKWGOBSLFB-UHFFFAOYSA-N	242.303	3.208	0	50	BGAA	
Cc1cc(Cl)ccc1OCCNC(C)(C)C	2931290	HKBVQUKDLTVEPS-UHFFFAOYSA-N	241.762	3.415	0	50	BGAA	
C[C@H](CCN1CCCC[C@@H]1CO)c1ccccc1	4022265	BGANQIAXOIFQLM-GDBMZVCRSA-N	247.382	3.027	0	50	BGAA	
C[C@@H](c1ccccc1)n1nc2ccccc2n1	5368892	DQDLKQAKDYKLTH-NSHDSACASA-N	223.279	3.041	0	50	BGAA	
Cc1ccc(Cl)cc1NC(=O)C1CCC1	6328531	HCRMODINYYMFHU-UHFFFAOYSA-N	223.703	3.387	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C	6730933	SWJCUHSGJNXCLQ-MROQNXINSA-N	237.387	3.364	0	50	BGAA	
Cc1cc(C)nc(NC(=O)NC2CCCCC2)c1	8548816	XOQLXGWEPFUJRD-UHFFFAOYSA-N	247.342	3.153	0	50	BGAA	
C[C@H](NC(=O)C1CCCCC1)C(C)(C)C	12381092	KIWJCDAGIWTVNN-JTQLQIEISA-N	211.349	3.118	0	50	BGAA	
O=C1C=CCC2(CCCC2)[C@]12CCCS2	43198893	XPBAVOVAFSXUAY-ZDUSSCGKSA-N	222.353	3.342	0	50	BGAA	
CC(=O)c1c(C)nc2cccc(C)c2c1C	122093921	DITHANHURZGKQR-UHFFFAOYSA-N	213.280	3.363	0	50	BGAA	
C=CCc1cc(F)cc(Br)c1	150036074	RICOTNMALOCCKV-UHFFFAOYSA-N	215.065	3.317	0	50	BGAA	
CCCN(C)[C@@H]1C[C@@H](OCC)C12CCCCC2	225388309	QIAZITDQGOOBER-ZIAGYGMSSA-N	239.403	3.456	0	50	BGAA	
CC(C)COc1cc(C(F)(F)F)ccc1O	261494279	UBAICRBOLVGIFI-UHFFFAOYSA-N	234.217	3.446	0	50	BGAA	
CCCc1ccc(-c2ccc(F)c(N)c2)nc1	365186	PLFGZBNKKXCKMO-UHFFFAOYSA-N	230.286	3.422	0	50	BGAA	
CC(C)[C@H](C)NC(=O)c1ccccc1Cl	395861	KVTCBMNCGRUEGO-VIFPVBQESA-N	225.719	3.114	0	50	BGAA	
CN(C)Cc1ccccc1Cc1ccccc1	968648	PJCWHWYSDUBFFR-UHFFFAOYSA-N	225.335	3.339	0	50	BGAA	
Nc1cc(N)c2cc(-c3ccccc3)oc2c1	1071450	MYWCSQDWOZUKMB-UHFFFAOYSA-N	224.263	3.264	0	50	BGAA	
c1ccc(C2=NCCc3ccccc32)cc1	2575417	CTOQBSUYGFNMJX-UHFFFAOYSA-N	207.276	3.080	0	50	BGAA	
Cc1ccccc1CC(=O)NC1CCC(C)CC1	6728620	BDCOFOFPYMTHJG-UHFFFAOYSA-N	245.366	3.232	0	50	BGAA	
Oc1ncnc2scc(-c3ccccc3)c12	8578704	OLGMRBGIXZANNV-UHFFFAOYSA-N	228.276	3.064	0	50	BGAA	in-vitro
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2C[C@H]2C)c1	16552028	DTNMDRGGBPTCIP-MBNYWOFBSA-N	231.339	3.137	0	50	BGAA	
Cc1ccc(C(=O)O)cc1NCc1ccccc1	16577685	JNBIKBJHQBDIQK-UHFFFAOYSA-N	241.290	3.305	0	50	BGAA	
CC(=O)c1ccccc1-c1cccc(C(=O)O)c1	16947017	PFBSKLBJUOTUOW-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	in-vitro
Cc1cccc2c(-c3n[nH]c(C4CC4)n3)c[nH]c12	426739888	UOYHJHBMZBSIPZ-UHFFFAOYSA-N	238.294	3.139	0	50	BGAA	
C1=CC[C@H](CN[C@@H](C2CCC2)[C@H]2CCOC2)CC1	585138011	IDFFCIKNSCTNBB-BPUTZDHNSA-N	249.398	3.138	0	50	BGAA	
CCc1nccc(CN[C@H](C)C2=CCCCC2)n1	952860031	AGCDZGACQZKNJJ-GFCCVEGCSA-N	245.370	3.018	0	50	BGAA	
C=CC(=O)N[C@H](C)c1cccc(C(C)C)c1	1776006617	YJZMFLBHKONZBU-LLVKDONJSA-N	217.312	3.173	0	50	BGAA	
CCN(CC)C(=O)c1ccc(C(C)(C)C)cc1	126238	FLFTZNPKRQQMIP-UHFFFAOYSA-N	233.355	3.466	0	50	BGAA	
O=Cc1cccc(OCc2ccc(F)cc2)c1	151843	APCQACNSEVZMIQ-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	
CC12C[C@@H]3C[C@H](C1)CC(CC(=O)O)(C3)C2	247198	OIASGIUDXARLDU-ASZHBFLOSA-N	208.301	3.068	0	50	BGAA	
CC[C@@H](C)n1cnc2c(=O)oc3ccccc3c21	271788	BBXPLEOOEGUFNR-SECBINFHSA-N	242.278	3.114	0	50	BGAA	
C[C@@H](CC(=O)NC(C)(C)C)c1ccccc1	405517	UOKGTVHOPJEBCD-NSHDSACASA-N	219.328	3.095	0	50	BGAA	
CCN(CC)CCc1c[nH]c2ccccc12	1999162	LSSUMOWDTKZHHT-UHFFFAOYSA-N	216.328	3.052	0	50	BGAA	in-man
CCc1ccc(-c2csc(C=O)n2)cc1	2582743	JNORSZRHYIUUMM-UHFFFAOYSA-N	217.293	3.185	0	50	BGAA	in-vitro
CCOC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1	2732105	MBJPATUIODMIKJ-MNOVXSKESA-N	224.687	3.007	0	50	BGAA	
O=Cc1ccc(N2CCCCC2)cc1Cl	4245510	GBQZLIHOKQNPFM-UHFFFAOYSA-N	223.703	3.143	0	50	BGAA	in-vitro
c1cc2c(cc1[C@@H]1CCCCN1)CCCC2	19673258	LRKAZMRIWDLEOH-HNNXBMFYSA-N	215.340	3.380	0	50	BGAA	
CCOC(=O)c1cc2c(C)cc(C)cc2nc1C	32099259	LRPXAGBVZQSZPL-UHFFFAOYSA-N	243.306	3.337	0	50	BGAA	
Fc1ccc2nnn(C3CCCCC3)c2c1	85477022	CJUIUJGNAZAOSW-UHFFFAOYSA-N	219.263	3.076	0	50	BGAA	
O=C(/C=C/c1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2	105231073	PHECXNWAUDAWII-URVPNVIXSA-N	241.334	3.005	0	50	BGAA	
N[C@H](C(F)(F)F)C12CC3CC(CC(C3)C1)C2	196001481	BMUSVPVYXZMATB-UIVJTFTRSA-N	233.277	3.092	0	50	BGAA	
C[C@H]1CCC(=O)C[C@H]1SC(C)(C)C	725362101	PUHZIAVIQFJJQE-WCBMZHEXSA-N	200.347	3.276	0	50	BGAA	
O=C(c1cccs1)c1coc2ccc(O)cc12	36642	WUVWVWAZLNEFCT-UHFFFAOYSA-N	244.271	3.431	0	50	BGAA	
CCc1ccc(OCc2ccc(C(=O)O)o2)cc1	135514	AODZZHSIEMSDEZ-UHFFFAOYSA-N	246.262	3.119	0	50	BGAA	
Cc1ccc(C)c(NCc2cccnc2)c1	292685	FDIFEOXPBNVELE-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
CSc1ccccc1C(=O)N1CCCCCC1	2875754	KRASWPURGOIEOT-UHFFFAOYSA-N	249.379	3.425	0	50	BGAA	
CCC(=O)Nc1ccccc1C(F)(F)F	3103916	JZRAJSHDIIOPEY-UHFFFAOYSA-N	217.190	3.054	0	50	BGAA	
O=C(O)c1ccc2c(c1)ncn2C1CCCCC1	4638824	VDTQDVBTYFQIPB-UHFFFAOYSA-N	244.294	3.240	0	50	BGAA	
c1ccc2nc(N3CCCCC3)ccc2c1	4798645	JWKIBLYWKJBSQP-UHFFFAOYSA-N	212.296	3.225	0	50	BGAA	
CCCN1CCC(Nc2cccc(F)c2)CC1	4990025	XBUGPPNIMLLLPK-UHFFFAOYSA-N	236.334	3.112	0	50	BGAA	
O=C(O)c1nc(-c2ccc(Cl)cc2)cs1	12404815	JOMOAMJPPUFTSI-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	13325789	PDMUQPUAGQKEPE-XVKPBYJWSA-N	243.228	3.300	0	50	BGAA	
O=C1CCCc2cc(C(F)(F)F)ccc21	34407858	UHPCUZXSDJQOPS-UHFFFAOYSA-N	214.186	3.224	0	50	BGAA	in-vitro
Nc1cccc(NC(=O)OCc2ccccc2)c1	37222839	LVKFFMWGFFEDEE-UHFFFAOYSA-N	242.278	3.018	0	50	BGAA	in-vitro
COC(=O)c1ccccc1-c1ccccc1OC	38276731	PJWBFTULIBZVBG-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
CCOC(=O)C(CC(C)C)(CC(C)C)C(C)=O	115986085	YZSHPMXHFPHVRK-UHFFFAOYSA-N	242.359	3.217	0	50	BGAA	in-vitro
CC(C)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1	474400383	UONGCVUSCXARLQ-CYBMUJFWSA-N	249.329	3.334	0	50	BGAA	
C=CC(=O)Nc1sc(C)cc1C(=O)C(C)C	1775997829	SPBXEDXVTOFZRP-UHFFFAOYSA-N	237.324	3.020	0	50	BGAA	
Clc1ccc(-c2ocnc2CC2CC2)nc1	2356141850	SHNYGDMAZRBIKX-UHFFFAOYSA-N	234.686	3.343	0	50	BGAA	
CCSc1sc(CC)cc1C(=O)O	42372	XGWBLPLTVALFEI-UHFFFAOYSA-N	216.327	3.121	0	50	BGAA	
COC(=O)C1c2ccccc2Oc2ccccc21	78671	RFHABUQANXJNQS-UHFFFAOYSA-N	240.258	3.097	0	50	BGAA	in-vitro
COC(=O)c1ccc(-c2ccccc2F)cc1	111129	VNTSDXWGEZLFNC-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
CCCNC(=O)c1cc(SC)ccc1Cl	4196515	SWDVQACCNZSHJC-UHFFFAOYSA-N	243.759	3.202	0	50	BGAA	
Cc1ccccc1CC(=O)NCC1CCCCC1	6698733	MDEZTQXUTDAWSF-UHFFFAOYSA-N	245.366	3.234	0	50	BGAA	
O=c1[nH]c(/C=C/c2ccccc2)nc2ccccc12	9136136	JDEJRLXMWUYMSS-ZHACJKMWSA-N	248.285	3.094	0	50	BGAA	
Clc1ccc(SC2CCNCC2)cc1	15020721	DORGHGOWHFHJPG-UHFFFAOYSA-N	227.760	3.184	0	50	BGAA	in-vitro
COc1cccc(-c2ccc(C(=O)O)c(F)c2)c1	38068220	VHRFTWCJVBOWOZ-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Fc1ccc(N2CCCCC2)cc1Cl	38537000	FOWVTJMHLJVBHP-UHFFFAOYSA-N	213.683	3.469	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)NC1CCC(F)(F)CC1	82046897	OWELBZTXHNMEKC-UHFFFAOYSA-N	235.274	3.089	0	50	BGAA	
O=C1Nc2ccc(F)cc2/C1=C/c1cccs1	141645269	BTNHUYISOKHZMF-XFFZJAGNSA-N	245.278	3.380	0	50	BGAA	
C[Si](C)(C)CCOC(=O)c1ccccc1	169807504	SRWLELZAOPPBSC-UHFFFAOYSA-N	222.360	3.182	0	50	BGAA	
CCCN1CCC(N(C)C2CCCCC2)CC1	220218	YZACCBQDFDLGMK-UHFFFAOYSA-N	238.419	3.125	0	50	BGAA	
Cc1cc(C)n(-c2cccc3cccnc23)n1	259178	BSSICVUIJQVDJZ-UHFFFAOYSA-N	223.279	3.037	0	50	BGAA	
CCC(C(=O)O)(c1ccccc1)c1ccccc1	394322	ZFTRKIIOOVMXCS-UHFFFAOYSA-N	240.302	3.467	0	50	BGAA	
Fc1ccc(-c2cn3ccsc3n2)cc1	433044	MLJMNXPHZZTCAX-UHFFFAOYSA-N	218.256	3.202	0	50	BGAA	in-vitro
O=C(c1ccccn1)[C@@H]1C[C@H]1c1ccccc1	1382881	XCYVNFLTONVXSP-QWHCGFSZSA-N	223.275	3.068	0	50	BGAA	
CC(C)(C)OC(=O)n1ccc2ccc(N)cc21	2527000	KYZMFSVVFOVRNK-UHFFFAOYSA-N	232.283	3.007	0	50	BGAA	
O=Cc1ccc(Cc2ccccc2)s1	2534268	DYTNGDNLLFVCBH-UHFFFAOYSA-N	202.278	3.151	0	50	BGAA	
Cc1cc(C(=O)C(F)(F)F)ccc1Cl	2579823	ZJBYBUSSCVQOMY-UHFFFAOYSA-N	222.593	3.393	0	50	BGAA	
CCCc1sc(N)nc1-c1ccccc1	2585761	YZFFFJIQOJQLFX-UHFFFAOYSA-N	218.325	3.345	0	50	BGAA	
Oc1ccc2occ([C@H](O)c3ccccc3)c2c1	3182541	MPCPAXLITZXNSV-OAHLLOKOSA-N	240.258	3.220	0	50	BGAA	
c1ccc(COc2cccc3[nH]ncc23)cc1	4204197	KTYOLSBHUABXAW-UHFFFAOYSA-N	224.263	3.142	0	50	BGAA	in-vitro
CCCCN[C@@H](C)C(=O)c1ccc(Cl)cc1	41609177	FMDPVFRFGCOFKM-JTQLQIEISA-N	239.746	3.301	0	50	BGAA	in-vitro
c1ncc(CNc2ccc3ncsc3c2)s1	124911650	UXAOFRAWKGWSFR-UHFFFAOYSA-N	247.348	3.365	0	50	BGAA	
Oc1ccc2nc(C(F)(F)F)nc(Cl)c2c1	161786333	OEPVYLUATPBVNB-UHFFFAOYSA-N	248.591	3.008	0	50	BGAA	
Clc1csc(-n2cnc3ccccc32)n1	165237481	RTKMLTSSLDGMKN-UHFFFAOYSA-N	235.699	3.135	0	50	BGAA	
Cc1ccccc1N1CC(=O)Nc2ccccc21	259353184	OOLXXFRXMMJCMX-UHFFFAOYSA-N	238.290	3.085	0	50	BGAA	
Cc1nc2ncc(/C=C/C3CCCCC3)cn2n1	426549878	FGOQIQPBGVBCON-BQYQJAHWSA-N	242.326	3.026	0	50	BGAA	
C/C(=C\c1ccccc1)CN(C)CC1(C)COC1	494235566	XKHIVQCGQGNUBC-NTEUORMPSA-N	245.366	3.058	0	50	BGAA	
CC(=O)N[C@H](C)c1ccc(-c2ccoc2)cc1	534632993	KYTIXGSKSJYFOM-SNVBAGLBSA-N	229.279	3.144	0	50	BGAA	
COc1ccc2cc(CCC(C)=O)ccc2c1	20221	BLXXJMDCKKHMKV-UHFFFAOYSA-N	228.291	3.370	0	50	BGAA	biogenic,fda
O=c1ccoc2c(Cl)cc(Cl)cc12	57969	WCIMKEGMFYKKSQ-UHFFFAOYSA-N	215.035	3.100	0	50	BGAA	biogenic
Cc1ccccc1C(=O)Nc1ccc(Cl)cn1	219297	MQWQNPZAARADES-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
O=C1O[C@@H](c2ccccc2)Cc2ccccc21	397632	JFDUCKCMZFPKND-CQSZACIVSA-N	224.259	3.141	0	50	BGAA	biogenic
Brc1csc(Br)c1	2168779	WAQFYSJKIRRXLP-UHFFFAOYSA-N	241.935	3.273	0	50	BGAA	
O=C(O)c1ccccc1Nc1cccc(F)c1	2383054	HYZIDPAMLUKNIR-UHFFFAOYSA-N	231.226	3.268	0	50	BGAA	
O=C(O)Cc1cccc(-c2ccc(F)c(F)c2)c1	2513041	LNCISQVUJFQGMA-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	
Cc1ccc2cccc(Br)c2n1	2534106	GQPRZSFQSOEDNV-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
COc1ccc([C@H](C)NC(=O)C2CCCC2)cc1	6726439	NIEUZWYUZFOKCF-NSHDSACASA-N	247.338	3.063	0	50	BGAA	
O=C(Cc1ccc(F)c(F)c1)c1ccccc1	15441721	VASGMXRRRZLAAW-UHFFFAOYSA-N	232.229	3.390	0	50	BGAA	
O=C(O)[C@@H]1CCc2ccc3cccc4c3c2[C@@H]1C4	25757901	DXGZSJTVJKYPCD-CHWSQXEVSA-N	238.286	3.127	0	50	BGAA	
CCOC(=O)c1cc2cc(Cl)ccc2nc1C	32099555	KZZFZNSEHULNFN-UHFFFAOYSA-N	249.697	3.373	0	50	BGAA	in-vitro
CCCc1nc(C)cc(-c2cccc(O)c2)n1	67678829	UIHSMQQTMYTIJK-UHFFFAOYSA-N	228.295	3.110	0	50	BGAA	
CCn1nc(C)c(NC[C@H]2C[C@H]3C=C[C@H]2C3)c1C	154459412	MEGRYUNWESWMOQ-MELADBBJSA-N	245.370	3.144	0	50	BGAA	
C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1c1ccccc1	173948726	OXPKEBIDXFYVAF-DOMZBBRYSA-N	243.350	3.049	0	50	BGAA	
Cc1cc(C)cc(NC(=O)[C@H]2CC2(C)C)c1	337356019	AEHDQWBWIZXINR-GFCCVEGCSA-N	217.312	3.288	0	50	BGAA	
O=Cc1sccc1-c1cccc(O)c1F	725270307	FXMJOWJZLBVPAN-UHFFFAOYSA-N	222.240	3.072	0	50	BGAA	
CCCn1c(S)nnc1-c1csc(C)c1	2569123	MKTVGIOPVDYHBM-UHFFFAOYSA-N	239.369	3.014	0	50	BGAA	
COc1cccc([C@@H](O)c2ccc(Cl)cc2)c1	4242591	CBQAUTIENGBUKR-AWEZNQCLSA-N	248.709	3.430	0	50	BGAA	
Clc1ccc(Cl)c(NC[C@@H]2CCCN2)c1	6658203	GZUFTDJRFIDMIS-VIFPVBQESA-N	245.153	3.157	0	50	BGAA	
O=C(O)Cc1ccc(Oc2ccc(F)cc2)cc1	12954405	VMMSFFIABDLZIP-UHFFFAOYSA-N	246.237	3.245	0	50	BGAA	
Fc1cccc2cc(Br)cnc12	60326785	LSJWECDASRDXEY-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
Fc1cc(C(F)(F)F)ccc1C1CCNCC1	141914241	ZOVVKZZPQMXWED-UHFFFAOYSA-N	247.235	3.312	0	50	BGAA	
O=C1[C@@H]2CC=CC[C@@H]2C[C@H]2CC=CC[C@@H]12	247756715	XARBVALIHBDTBL-FDYHWXHSSA-N	202.297	3.124	0	50	BGAA	
CCCCOc1cc(O)cc(Cl)c1F	261493469	BUVVQOPCNMZIGF-UHFFFAOYSA-N	218.655	3.364	0	50	BGAA	
COc1ccc(-c2cc(C3CC3)ncn2)c(C)c1	426477304	ZIAZXVJRMHTZHZ-UHFFFAOYSA-N	240.306	3.338	0	50	BGAA	
N[C@H](C1CCCCC1)C1(O)CCCCCCC1	958528020	MJWUIKAJUQWOLU-CQSZACIVSA-N	239.403	3.369	0	50	BGAA	
Oc1ccc(C=Cc2ccncn2)cc1Cl	1857530789	LIDOPHXGXZYJFM-UHFFFAOYSA-N	232.670	3.006	0	50	BGAA	
COc1ccc(C(=O)Cc2ccccc2)cc1	50925	PLALKSRAHVYFOH-UHFFFAOYSA-N	226.275	3.121	0	50	BGAA	biogenic,in-vitro
CCc1nc2c(Cl)cc(Cl)cc2c(=O)o1	89161	AYOHQVHYKDVKOX-UHFFFAOYSA-N	244.077	3.057	0	50	BGAA	
CCc1cs/c(=N/c2ccccc2)n1CC	392185	OYHWXZRUPQGCHU-BUHFOSPRSA-N	232.352	3.364	0	50	BGAA	
C[C@]1(c2ccccc2)OC(=O)c2ccccc21	4792714	SPUQBDKMCCUCNO-OAHLLOKOSA-N	224.259	3.121	0	50	BGAA	
CCc1ccccc1NC(=S)N1CCCC1	13825738	DBVGMIVWESSAOA-UHFFFAOYSA-N	234.368	3.042	0	50	BGAA	
C[C@@H]1CCC[C@H](Nc2ccccc2C(=O)O)C1	36891534	DAYHSSLFIGVUKJ-MNOVXSKESA-N	233.311	3.375	0	50	BGAA	
CC(C)(C)n1nc(-c2ccc(F)cc2)cc1N	37295087	VARQUJWBLJWLFV-UHFFFAOYSA-N	233.290	3.026	0	50	BGAA	
CC(=O)OCCCc1cccc2c1CCCC2	43198884	SEKPLYXXKRGKMJ-UHFFFAOYSA-N	232.323	3.061	0	50	BGAA	
O=C(c1ccc2ccccc2c1)[C@@H]1CCCNC1	67714520	CBWFPCWVWDBYQL-OAHLLOKOSA-N	239.318	3.022	0	50	BGAA	
Nc1cccc(Br)c1C(F)(F)F	83749456	DAXMSIHFYZSWNH-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	in-vitro
CC(C)(C)[C@H]1CC[C@@](O)(C2=CCCO2)CC1	101921212	YXTXQSUABZQHHZ-YEORSEQZSA-N	224.344	3.258	0	50	BGAA	
N[C@H](c1ccccc1)[C@H]1C[C@H]1c1ccccc1	162184878	QKBBLALGXODMEM-HRCADAONSA-N	223.319	3.490	0	50	BGAA	
C[C@@H]1CCCC[C@@H]1NC(=O)N[C@H](C)C(C)(C)C	252584852	DGVBKEUMYOAVFQ-UTUOFQBUSA-N	240.391	3.299	0	50	BGAA	
COc1cc(C)cc(OC)c1-c1[nH]c(C)nc1C	426563245	XEGJUCZBSLGDQP-UHFFFAOYSA-N	246.310	3.019	0	50	BGAA	
c1cc(-c2ncoc2C2CC2)c2cc[nH]c2n1	2325873856	WQDCJCDDXPXGEC-UHFFFAOYSA-N	225.251	3.095	0	50	BGAA	
FC(F)(F)c1cnc(Cl)c(Cl)c1	499394	ABNQGNFVSFKJGI-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	
CCn1c([C@H]2C[C@@H]2c2ccccc2)n[nH]c1=S	2536727	WZVZZHCETNJYMA-MNOVXSKESA-N	245.351	3.232	0	50	BGAA	
CCCC[C@@H](CC)CNC(=O)c1ccco1	4666290	VULHXNHATFVQNP-LLVKDONJSA-N	223.316	3.226	0	50	BGAA	
FC(F)(F)c1cc(Cl)cc(Cl)n1	34092381	BJHUMUZOLTXVSC-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
O=C1Sc2ccccc2N[C@H]1c1ccccc1	44125540	GIHQWRTXAXEOML-ZDUSSCGKSA-N	241.315	3.472	0	50	BGAA	
Cc1ccc[n+](C23CC4CC(CC(C4)C2)C3)c1	65336770	YFSMEOQBHSNBBO-UHFFFAOYSA-N	228.359	3.208	0	50	BGAA	
CCCNCc1c(F)cccc1Br	85476947	FQCCVTXTBPNYAM-UHFFFAOYSA-N	246.123	3.088	0	50	BGAA	in-vitro
OC1[C@H]2C=C[C@H]1[C@H]1[C@H]2[C@H]2CC[C@H]1c1ccccc12	104282970	YNZJBUCKABZWKH-QNILMXGZSA-N	238.330	3.070	0	50	BGAA	
COc1ccccc1[C@@H]1CCCN1CCCF	126754133	GWAQMAXSWAVPLS-ZDUSSCGKSA-N	237.318	3.192	0	50	BGAA	
CSC[C@@H](C)N[C@@H](C)c1ccsc1	133999525	ARNVVDWHHHAUQK-BDAKNGLRSA-N	215.387	3.150	0	50	BGAA	
C[C@@H](c1ccncc1)N(C)C[C@@H]1CC=CCC1	221795241	WOLUKIXYNLLYLU-UONOGXRCSA-N	230.355	3.431	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@H]1CCC[C@H](C)N1	757209861	GNTMOMKYUKRPKQ-GXFFZTMASA-N	229.327	3.074	0	50	BGAA	
Cc1nc(CN[C@H](C)C2=CCCCC2)n(C)c1C	952980262	VVBZCORFMJPTID-GFCCVEGCSA-N	247.386	3.015	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(Cl)cc2)o1	135054	XIPQHWUSDHTXOO-UHFFFAOYSA-N	222.627	3.298	0	50	BGAA	biogenic,in-vitro
CCC(=O)Nc1ccc(Cl)c(Cl)c1	362579	LFULEKSKNZEWOE-UHFFFAOYSA-N	218.083	3.342	0	50	BGAA	biogenic,in-vitro
CCC(CC)NC(=O)CSc1ccccc1	859789	ZOPRPDCMQWRESC-UHFFFAOYSA-N	237.368	3.084	0	50	BGAA	
CCCOC(=O)Nc1cc(C)ccc1C	2172091	OVDABTZIQQYGBL-UHFFFAOYSA-N	207.273	3.262	0	50	BGAA	
CCOC(=O)C1=C(C)C=C(OCC)CC1(C)C	4829797	HWBQOZZGCULHHI-UHFFFAOYSA-N	238.327	3.216	0	50	BGAA	
Clc1ccc(Cn2nc3ccccc3n2)cc1	5519859	UCVLTBAEFRMHKY-UHFFFAOYSA-N	243.697	3.133	0	50	BGAA	
O=C(Nc1cc(Cl)cc(Cl)c1)NC1CC1	6699303	DGYIAEQHOSVNHY-UHFFFAOYSA-N	245.109	3.277	0	50	BGAA	
COc1ccc(C[C@@H](C)NC2CCCC2)cc1	23283454	AGJVFFWLIVKFAZ-GFCCVEGCSA-N	233.355	3.158	0	50	BGAA	
CCOc1ccc(C2CCC(=O)CC2)cc1	39100489	VBGMDGDDOADTCY-UHFFFAOYSA-N	218.296	3.312	0	50	BGAA	
CC[C@](C)(CCc1ccccc1)C(=O)O	71773249	JHGYOCKJUCPFNO-CYBMUJFWSA-N	206.285	3.120	0	50	BGAA	
CCCCOC(=N)c1c[nH]c2ccccc12	100288333	QYBCDDWCZJNJMF-UHFFFAOYSA-N	216.284	3.310	0	50	BGAA	
O/C(=C\[C@H](O)c1cccs1)c1ccccc1	102313194	LDMWYIVOFDIQQN-MMRAYRKESA-N	232.304	3.381	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@H](C)C[C@@H]1C	757215042	UJQHMVTYHUUJKB-BPYAMOTFSA-N	243.354	3.178	0	50	BGAA	
Cc1ccc(NC(=O)c2ccc(O)cc2)c(C)c1	131808	DQCHNSPHQOMPIV-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
C[C@@H](NC(=S)c1cccnc1)c1ccccc1	323085	ITIDZIVSEKFVCE-LLVKDONJSA-N	242.347	3.108	0	50	BGAA	
CC(C)[C@@H](C(=O)O)c1ccc(Cl)cc1	403987	VTJMSIIXXKNIDJ-SNVBAGLBSA-N	212.676	3.164	0	50	BGAA	in-vitro
O=C(O)c1cccc(OCCc2ccccc2)c1	8723047	CBKMKWATRHJMKA-UHFFFAOYSA-N	242.274	3.006	0	50	BGAA	in-vitro
Cc1cc(C)cc(-c2nc(C=O)cs2)c1	44136772	LEGDBCOQDDGYRB-UHFFFAOYSA-N	217.293	3.239	0	50	BGAA	in-vitro
COC(=O)c1ccc(-c2ccccc2)c(OC)c1	44200176	ICRIVBZRVXCIJH-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
COc1ccc2cccnc2c1Br	48523992	PYLZPPOBCRUWJX-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
CC(=O)c1cc(Cl)cc(Br)c1	75629589	IEWFDTXICLHPTE-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	
CC(=O)c1ccc(-c2c(C)noc2C)cc1	137746071	NDURMRZBGXFIPU-UHFFFAOYSA-N	215.252	3.161	0	50	BGAA	
CC[C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1	248268490	PHTTVNJXCXUVFA-GXTWGEPZSA-N	231.339	3.396	0	50	BGAA	
Oc1cc(Cl)cc(Cl)c1OC(F)F	263624229	ONCBODLOZACQJO-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
O[C@H](c1c[nH]c2ccccc12)C(F)(F)Cl	1399168	SPEZSIPKFIBCEP-SECBINFHSA-N	231.629	3.033	0	50	BGAA	
NCCN1c2ccccc2Sc2ccccc21	1557018	GEQNUMNORCDKBC-UHFFFAOYSA-N	242.347	3.248	0	50	BGAA	
CCCCCCC(=O)N1CCCC[C@@H]1C	5460716	JUCGRNHBTMFVST-LBPRGKRZSA-N	211.349	3.358	0	50	BGAA	
CC(=O)c1ccccc1-c1ccc(C(=O)O)cc1	16947026	UQNRQOGHZCOKNV-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	in-vitro
Cc1ccc(S)cc1Br	39274293	RGGIMPYCVUNPGX-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
Cc1cc(Cl)cc(Br)c1	56961632	YRIKDGJWRMHTJP-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	
FC(F)c1ccccc1Br	56961826	RMYPQIOCZSWSDG-UHFFFAOYSA-N	207.017	3.387	0	50	BGAA	in-vitro
CN[C@@H](CC1CCCCC1)C(F)(F)F	82717461	GUUMMANGLVIMRD-VIFPVBQESA-N	209.255	3.107	0	50	BGAA	
COc1ccccc1[C@H]1CCCN1CCCF	126754368	GWAQMAXSWAVPLS-CYBMUJFWSA-N	237.318	3.192	0	50	BGAA	
CC[C@H](C)CN(C)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	225420096	QABPKNDRUSPAMC-XUXIUFHCSA-N	237.387	3.317	0	50	BGAA	
CC[C@H](C)C(=O)CC(=O)C1CCCCC1	721129220	CMAHJLUQAGEGPN-JTQLQIEISA-N	210.317	3.141	0	50	BGAA	
O=Cc1ccc(F)c(-c2ccc(C(=O)O)cc2)c1	725272665	SSZJXKAJTRYMKY-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
Cn1cnc2cc(-c3ccc4c(c3)CCN4)ccc21	888096015	PJVDQDUVIJJYSP-UHFFFAOYSA-N	249.317	3.208	0	50	BGAA	
CC[C@@H](C)c1ccccc1OCCn1ccnc1	311949	YVGPTGWMFKMECR-CYBMUJFWSA-N	244.338	3.476	0	50	BGAA	
CCNc1ccc2c(c1)C(=O)c1ccccc1-2	401262	BQSDZCAYCJKMMP-UHFFFAOYSA-N	223.275	3.330	0	50	BGAA	
O=Cc1ccc(-c2ccc(F)cc2F)o1	444451	JOKLUPUCUUTVHJ-UHFFFAOYSA-N	208.163	3.037	0	50	BGAA	in-vitro
CC(C)=CCC[C@H](C)CCN1CCC[C@@H](O)C1	3680932	DUVCPZKQVRGBMO-LSDHHAIUSA-N	239.403	3.216	0	50	BGAA	
CCN(CC)CCOc1c(C)ccc(C)c1C	5024171	WZNWWUNSXKMIBV-UHFFFAOYSA-N	235.371	3.332	0	50	BGAA	
COC(=O)c1cc2c(Cl)c(Cl)ccc2[nH]1	6658155	FCGXUKBYUAWSIF-UHFFFAOYSA-N	244.077	3.261	0	50	BGAA	
CC(C)NCc1cccc(Cl)c1Cl	10436201	DQMLRLOKQNRFEV-UHFFFAOYSA-N	218.127	3.491	0	50	BGAA	
Brc1cccc(C2=NCCC2)c1	22002982	GRWKPAZUDJORHM-UHFFFAOYSA-N	224.101	3.032	0	50	BGAA	
Clc1ccc2ncc(Br)cc2n1	117569004	GPFKNUQKQAMKLP-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
CC1=CCC[C@H](C)[C@H]1CN[C@H]1CCCOCC1	225515698	UUVBEIWDKHLIKD-KKUMJFAQSA-N	237.387	3.138	0	50	BGAA	
C[C@H](Nc1ccc2[nH]ncc2c1)[C@@H]1CC1(C)C	225611349	LZSZXQLJOSPGEV-CABZTGNLSA-N	229.327	3.409	0	50	BGAA	
CC1=CC[C@@H]2[C@H](C[C@@H]3C[C@@H]32)C(=O)[C@H]2CC=C[C@H]12	257355569	BJTUNDNVJCZYIV-IWTMDLJTSA-N	228.335	3.370	0	50	BGAA	
C=CC(=O)NCC1(c2ccccc2Cl)CCC1	1776000338	VEWKCVOYTVIXDS-UHFFFAOYSA-N	249.741	3.064	0	50	BGAA	
COc1ccc(NC(=S)c2ccccc2)cc1	314825	HGBOOZXXUFQBLX-UHFFFAOYSA-N	243.331	3.483	0	50	BGAA	biogenic
O=C(O)c1ccccc1CCc1cccs1	1995256	BYSDXOIAAYZTBJ-UHFFFAOYSA-N	232.304	3.232	0	50	BGAA	
Cc1cc(Cl)c2oc(C(=O)O)c(C)c2c1	4842440	LTYBKFWHZKGMEC-UHFFFAOYSA-N	224.643	3.401	0	50	BGAA	
Cc1ccc(F)c(NC(=O)Cc2cccs2)c1	4869126	UVYJPYJVTKAKBE-UHFFFAOYSA-N	249.310	3.377	0	50	BGAA	
C[C@@H](N)c1ccccc1NC(=O)OC(C)(C)C	6667020	ZMCJMXOMUPBVOP-SECBINFHSA-N	236.315	3.053	0	50	BGAA	
Cc1ccc(/C=C2\C(=O)Nc3ccccc32)o1	12409035	DWJWWZSAYOTJGO-WQLSENKSSA-N	225.247	3.081	0	50	BGAA	
Cc1noc(CCCc2c[nH]c3ccccc23)n1	20118883	VNBDFIZIQCFDOP-UHFFFAOYSA-N	241.294	3.035	0	50	BGAA	
c1cncc([C@H]2CCCCN2Cc2ccoc2)c1	22023299	BNQYRWDBFLXBJA-OAHLLOKOSA-N	242.322	3.402	0	50	BGAA	
CC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1	34541291	IVUDQEZQKBKXCS-UHFFFAOYSA-N	235.283	3.236	0	50	BGAA	
CC(C)CNc1snc2ccccc12	60248729	DFUCHBBETXLBOR-UHFFFAOYSA-N	206.314	3.364	0	50	BGAA	
C[C@@H]1CCC[C@@H](CSc2nnc(N)s2)C1	185481825	JFANMFJUVMXIQS-HTQZYQBOSA-N	243.401	3.039	0	50	BGAA	
CC(=O)c1c(Cl)cc(F)cc1Cl	263625104	WTXSYCNEEKTVDA-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	
FC(F)n1cc(-c2cccc3cccnc23)cn1	1250638568	AVOWLRRPDUCMCX-UHFFFAOYSA-N	245.232	3.493	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)c1ccc(O)cc1	131995	OROUDFPMGPAELU-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
Cc1nc2scc(-c3ccccc3)c2c(=O)o1	284282	JKYABVPVYWRLLP-UHFFFAOYSA-N	243.287	3.225	0	50	BGAA	
CC(=O)N1c2ccccc2[C@]2(C)CCCC[C@@H]12	391677	XVIQHELYIGQADU-CABCVRRESA-N	229.323	3.253	0	50	BGAA	
Cc1ccc(NC(=O)OC(C)C)c(C)c1	395258	BMXCXCVYHRXVQI-UHFFFAOYSA-N	207.273	3.260	0	50	BGAA	
Cc1cccc(-c2nnc(-c3ccco3)o2)c1	437571	ZFSNTNJOIKMARN-UHFFFAOYSA-N	226.235	3.305	0	50	BGAA	
Nc1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1	7504245	FYCNIDATRLICSP-UHFFFAOYSA-N	243.697	3.466	0	50	BGAA	
O=Cc1ccccc1COc1ccccc1	12370591	XVWHVOIBWUNRKQ-UHFFFAOYSA-N	212.248	3.078	0	50	BGAA	in-vitro
Nc1cc(Cl)c(Br)c(Cl)c1	15444565	QOPGULWHAXFEIP-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	in-vitro
FC(F)(F)c1cc(Cl)ncc1Cl	16159459	GFTRYJQAASFSIB-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
Cc1cc(F)cc(-c2ccc3nc(C)nn3c2)c1	96161253	UNGUUILARSFYJT-UHFFFAOYSA-N	241.269	3.152	0	50	BGAA	
Nc1ccc(Oc2cccnc2)cc1Cl	117850623	QZEKHTRVVPFPIU-UHFFFAOYSA-N	220.659	3.110	0	50	BGAA	
CCN(C(=O)CC(C)C)C1CCCCC1	30856	WSMJQRARUZIKGT-UHFFFAOYSA-N	211.349	3.214	0	50	BGAA	
CCn1c2c(c3cc(C)ccc31)CCCC2=O	102905	ROJRYYKUDNSCPD-UHFFFAOYSA-N	227.307	3.489	0	50	BGAA	
CC(C)=CCC/C(C)=C/[C@@H]1OC[C@H](C)O1	295922	DWZRENGNFQNWQZ-UAIPSJAGSA-N	210.317	3.441	0	50	BGAA	endogenous,in-man
Cc1ccccc1Cn1cnc2ccccc21	301614	GETYEVYLAYFLNQ-UHFFFAOYSA-N	222.291	3.393	0	50	BGAA	
O=C(Nc1ccc(O)cc1)c1ccccc1Cl	410281	OLWMCHGHFRPBTM-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
CCN(CC)CCc1c[nH]c2ccc(OC)cc12	488389	KGDVJQQWCDDEPP-UHFFFAOYSA-N	246.354	3.061	0	50	BGAA	biogenic,in-vitro
Fc1ccc(Br)c(F)c1Cl	2512244	LVPMWOPCTHLVRH-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
C[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1	6699855	IBKVAQKQCFWBCC-JTQLQIEISA-N	236.290	3.232	0	50	BGAA	
C[C@H](SCc1ccc(Cl)cc1)C(=O)O	6794571	KUNWCLBBXUZVJX-ZETCQYMHSA-N	230.716	3.046	0	50	BGAA	in-vitro
Cc1cnc(-c2cccc3ccsc23)nc1N	19595384	ZPUDKOYNOWQMKK-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
Cc1ccc(F)c(-c2cccc(C(=O)O)c2)c1	38068135	BAXXLECALKOFNA-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
O=Cc1ccc(Cl)c(Cl)c1Cl	39251472	WMOOOIUXYRHDEZ-UHFFFAOYSA-N	209.459	3.459	0	50	BGAA	
COc1nc2ccccc2cc1Br	42383839	RANIWICHNFHZMY-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
CC(C)=CC[C@@H](C(=O)O)c1ccccc1	45074588	YLNBMULYXHXMRC-GFCCVEGCSA-N	204.269	3.211	0	50	BGAA	
Cc1ccc(-c2ccc(N)cc2F)cc1	83826712	HIJJWTHKOHWZLP-UHFFFAOYSA-N	201.244	3.383	0	50	BGAA	
C[C@@H]1CNc2cc(Br)ccc2S1	162423040	OXGZXQCNNSQISU-ZCFIWIBFSA-N	244.157	3.355	0	50	BGAA	
Fc1ccc(OC2CN(CC3CCCC3)C2)cc1	215874674	QMAKZBQSHZAOLI-UHFFFAOYSA-N	249.329	3.079	0	50	BGAA	
Clc1cnnc2cc(Br)ccc12	238513490	MOFADOQZRGDCGG-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
S=C(S)O[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	242620173	PWLXJBSAUKKGCM-MQIGXGKASA-N	228.382	3.042	0	50	BGAA	in-vitro
COc1ccccc1CCN[C@@H]1C[C@H]2CC[C@H]1C2	248247654	NCLWUZAGXIGDOM-AEGPPILISA-N	245.366	3.016	0	50	BGAA	
CC[C@@H]1CCC[C@H](NC[C@H]2CCCC[C@@H]2O)C1	251692556	ILDKSLJNKXGJRY-KBXIAJHMSA-N	239.403	3.096	0	50	BGAA	
Cc1ccc2ncnc(N(C)CCC3CC3)c2c1	301772718	JZAQRIXEIRILIQ-UHFFFAOYSA-N	241.338	3.175	0	50	BGAA	
CC1(C)CC[C@H](N2CCC(c3ncc[nH]3)CC2)C1	344473879	DLWQRMVHSSLGSD-ZDUSSCGKSA-N	247.386	3.168	0	50	BGAA	
c1cc(C[C@H]2CCN(CC3CCCC3)C2)ccn1	378622336	JFKIQSAWJNZTRQ-MRXNPFEDSA-N	244.382	3.136	0	50	BGAA	
c1cc(CNCC2CC2)c2sccc2c1	386111627	AVZPHGPPLJPDEL-UHFFFAOYSA-N	217.337	3.401	0	50	BGAA	
Nc1cccnc1-c1cnc2cccc(F)c2c1	1857720871	PALKTMOXDWNCGD-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
COc1cc(F)ccc1-c1ocnc1CC1CC1	2356168554	IMQAKHIDUYQFNO-UHFFFAOYSA-N	247.269	3.442	0	50	BGAA	
CO[C@@H]1CCCC[C@H]1Nc1ccccc1	293050	AIWUEFRPZLVRCO-CHWSQXEVSA-N	205.301	3.056	0	50	BGAA	
Cc1cccc(OC(=O)c2cccs2)c1	383642	KBQQRBXIAWUSAW-UHFFFAOYSA-N	218.277	3.276	0	50	BGAA	
O=Cc1ccccc1OCc1ccc(F)cc1	445729	OFOOGVHIOYRRGF-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	
CC(C)OC(=O)c1ccccc1OC(C)C	1668576	NUNWXYXSBPLFAO-UHFFFAOYSA-N	222.284	3.039	0	50	BGAA	
O=C(O)CCCOc1ccc(Cl)cc1Cl	1696211	YIVXMZJTEQBPQO-UHFFFAOYSA-N	249.093	3.237	0	50	BGAA	biogenic,in-vitro
C[n+]1c(C(C)(C)C)cccc1C(C)(C)C	3107512	DJILDQHYELMRDU-UHFFFAOYSA-N	206.353	3.106	0	50	BGAA	
Cc1cc(C)cc(NC(=O)C(C)(C)C)c1	6188767	RMIDGBFDCUTXMT-UHFFFAOYSA-N	205.301	3.288	0	50	BGAA	biogenic
CCOc1ccc(C)cc1-c1csc(N)n1	13223601	ZUJQLQJKNIVAOV-UHFFFAOYSA-N	234.324	3.099	0	50	BGAA	
CC(C)COc1cc(C(=O)O)ccc1Cl	65337045	MIHGERMEJSCGDA-UHFFFAOYSA-N	228.675	3.073	0	50	BGAA	in-vitro
COc1cc(OC)cc(-c2cnccc2C)c1	65535502	XGVVCVQTDZZBFK-UHFFFAOYSA-N	229.279	3.074	0	50	BGAA	
CCOC(=O)c1ccc(-c2ccc(N)cc2)cc1	82306509	PPAWFPVAVHKGPT-UHFFFAOYSA-N	241.290	3.113	0	50	BGAA	in-vitro
c1ccc([C@@H]2C[C@@H]3CCCCN3C2)cc1	96027049	JKECMGSANFSNJV-KGLIPLIRSA-N	201.313	3.028	0	50	BGAA	
CC1=CC[C@]23CCC[C@@]12C(=O)CC3(C)C	101037707	POQNOHLJOADRPG-KBPBESRZSA-N	204.313	3.492	0	50	BGAA	
COCCCCSc1ccoc1C	131471511	CJKFBWDLORMZAE-UHFFFAOYSA-N	200.303	3.107	0	50	BGAA	
C[C@H](Nc1ccc2[nH]ncc2c1)[C@H]1CC1(C)C	225611399	LZSZXQLJOSPGEV-JOYOIKCWSA-N	229.327	3.409	0	50	BGAA	
C1CCCn2c(nnc2CC2CCCC2)CC1	630952006	UBNPZORFKBBOTI-UHFFFAOYSA-N	233.359	3.127	0	50	BGAA	
Cc1ccc(OC2CN(C3CCCC3)C2)cc1	1506411972	MEEYYVSVGWEASC-UHFFFAOYSA-N	231.339	3.001	0	50	BGAA	
Cc1ccc2nc(SCC(=O)O)cc(C)c2c1	54325	ZJAGGHKSUVWJFT-UHFFFAOYSA-N	247.319	3.028	0	50	BGAA	
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1	57287	XMTQQYYKAHVGBJ-UHFFFAOYSA-N	233.098	3.087	0	50	BGAA	biogenic,in-vitro
COc1ccccc1/C=C/CN1CCC(C)CC1	219682	VPBXSJQIQVYSOU-FNORWQNLSA-N	245.366	3.440	0	50	BGAA	
O=C(CC1CCCCC1)NC1CCCCC1	451493	VCFNWIXOBCGNDE-UHFFFAOYSA-N	223.360	3.406	0	50	BGAA	
C[C@H]1CCC[C@H](C)N1C(=O)C1CCCCC1	475448	CFSVDFDJZBYXIZ-RYUDHWBXSA-N	223.360	3.356	0	50	BGAA	
C[C@H]1CCC[C@@H](NCc2ccc3c(c2)OCO3)C1	756996	CWGJTPQDJXRMRM-WCQYABFASA-N	247.338	3.084	0	50	BGAA	
Cl/C=C/COc1ccc(Cl)cc1	2565756	HCPXCBUMXMHOMQ-LZCJLJQNSA-N	203.068	3.471	0	50	BGAA	
Cc1ccc(OCCCn2cccc2C=O)cc1	2866754	ONUQNHFCHGCHLD-UHFFFAOYSA-N	243.306	3.078	0	50	BGAA	
Cc1ccc(OCCCNC(C)(C)C)cc1C	2901593	BDQXPEPVHMAHAV-UHFFFAOYSA-N	235.371	3.460	0	50	BGAA	
C[C@H](N(C)C)C12CC3CC(CC(C3)C1)C2	3895599	OOQVJPLFOITUKD-MWKHJINRSA-N	207.361	3.153	0	50	BGAA	
COc1cccc(C(=O)c2ccc(F)c(F)c2)c1	4255145	OXLLTNYAVZFOEK-UHFFFAOYSA-N	248.228	3.204	0	50	BGAA	
CC(C)(C)C(=O)Nc1ccc(F)c(Cl)c1	5379526	KNSYHWQPYVPIGB-UHFFFAOYSA-N	229.682	3.464	0	50	BGAA	
Cc1c(-c2ccccc2)nc2ccccn12	5401516	XWCGFQPHUYFTPC-UHFFFAOYSA-N	208.264	3.310	0	50	BGAA	
Cc1cccc(COc2ccc(C(=O)O)cc2)c1	11890029	FSZFKVCHUNPCCG-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
CCCOc1ccc(Br)cc1F	15444619	MHEJXUAOBZGJKW-UHFFFAOYSA-N	233.080	3.377	0	50	BGAA	in-vitro
Cc1c(F)cccc1-c1cc(N)cc(C(=O)O)c1	65350047	CJNNLHJGPSVYML-UHFFFAOYSA-N	245.253	3.082	0	50	BGAA	in-vitro
Nc1ccc(OC(F)(F)F)cc1C(F)(F)F	65731363	FYZGPCRHKPVHOY-UHFFFAOYSA-N	245.122	3.186	0	50	BGAA	
COc1ccc(Br)c(Cl)c1C	198730050	NKGGSWHETRQVCG-UHFFFAOYSA-N	235.508	3.420	0	50	BGAA	
Brc1ccnc(OCC2CCC2)c1	255190024	ULNCLMKHYYZKCF-UHFFFAOYSA-N	242.116	3.023	0	50	BGAA	
Cc1ncccc1-c1csc([C@@H]2CCCO2)n1	408518949	MJGVHGZMGYMSFL-LBPRGKRZSA-N	246.335	3.365	0	50	BGAA	
CCn1ncc(C)c1NC(=O)C1CCCCCC1	618441467	NLYRLQBFLFNUTD-UHFFFAOYSA-N	249.358	3.120	0	50	BGAA	
O=C([C@@H]1CC=CCC1)N1CC[C@H]2CCCC[C@H]21	685945233	AAHGGBLRBJFRJH-MGPQQGTHSA-N	233.355	3.134	0	50	BGAA	
Nc1c(F)cc(Cl)c(Cl)c1Cl	1875360848	KGVFZVZKTCMYKX-UHFFFAOYSA-N	214.454	3.368	0	50	BGAA	
CSc1ccccc1Br	409185	ALAQDUSTXPEHMH-UHFFFAOYSA-N	203.104	3.171	0	50	BGAA	in-vitro
CCCCCCOc1ccc(C(=O)O)cc1	1646613	HBQUXMZZODHFMJ-UHFFFAOYSA-N	222.284	3.344	0	50	BGAA	biogenic,in-vitro
COc1cccc(-c2cccc(C=O)c2)c1	2574084	GLGWNAPAIMXRGT-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
Cc1[nH]c2ccc(Cl)cc2c(=O)c1Cl	5296664	NOKYOUVZDYQGJG-UHFFFAOYSA-N	228.078	3.143	0	50	BGAA	
O=C(O)c1ccccc1CNC1CCCCCC1	10475316	AIEBQFWMWMJXBK-UHFFFAOYSA-N	247.338	3.197	0	50	BGAA	
CC1=Cc2cccc(Br)c2C1	75629672	OJSMHHJBFNVCAV-UHFFFAOYSA-N	209.086	3.409	0	50	BGAA	in-vitro
CC1=C[C@H](C)[C@@]2(CO)COC(=C(C)C)[C@H]1[C@@H]2C	100516525	GCBFPUQWHILFHW-RMRHIDDWSA-N	236.355	3.138	0	50	BGAA	biogenic
Clc1ccc(NC2CCSCC2)nc1	127301402	VRXRFFQEYSYGHN-UHFFFAOYSA-N	228.748	3.043	0	50	BGAA	
C=Cc1cc(Br)c(F)cc1F	258830893	IUDFHJNPGBOSIY-UHFFFAOYSA-N	219.028	3.370	0	50	BGAA	
CCc1nc(C)c(-c2ccc(CN)cc2)s1	259425717	OBAPHZGBVXNRBQ-UHFFFAOYSA-N	232.352	3.140	0	50	BGAA	
C=CC(=O)N[C@H]1CCCc2ccc(Cl)cc21	863971013	AWCXBGKLJSOHKO-LBPRGKRZSA-N	235.714	3.020	0	50	BGAA	
CCc1nc(C)c(CNC(C)(C)CC(C)C)[nH]1	952976821	PCIFDJKXFYABOA-UHFFFAOYSA-N	237.391	3.195	0	50	BGAA	
COc1ccc2cc([C@@H](C)C(=O)O)ccc2c1	113439	CMWTZPSULFXXJA-SECBINFHSA-N	230.263	3.037	0	50	BGAA	biogenic,world
O=C(/C=C/c1ccco1)Nc1cccc(F)c1	290619	HHOKIEVSBGGVJG-VOTSOKGWSA-N	231.226	3.071	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)C1CCCCC1	303161	BMMBTNZYVVEHJN-ZDUSSCGKSA-N	223.360	3.358	0	50	BGAA	
O=C(O)CCn1c2ccccc2c2ccccc21	1841595	ZAJJJOMMWPVJMH-UHFFFAOYSA-N	239.274	3.269	0	50	BGAA	in-vivo
CCC(=O)Nc1cc(C(C)C)c(O)cc1C	2870351	UUVLRLNKKNJDCE-UHFFFAOYSA-N	221.300	3.173	0	50	BGAA	
CCNCCOc1ccc(C(C)C)c(C)c1	6703695	AZSYWYWDNMNDSO-UHFFFAOYSA-N	221.344	3.107	0	50	BGAA	
O=C(O)CCc1ccc(Oc2ccccc2)cc1	11962728	XNZKHFWFUASCFO-UHFFFAOYSA-N	242.274	3.496	0	50	BGAA	in-vitro
Oc1ccccc1-c1nc(-c2cccs2)no1	16652043	FOMUOFIOAMORQM-UHFFFAOYSA-N	244.275	3.171	0	50	BGAA	
C[C@@H](CNC(=O)C1CCCCC1)c1ccccc1	43700806	NDJJRWFIZWKWRN-ZDUSSCGKSA-N	245.366	3.487	0	50	BGAA	
COc1ccc2c(c1)[C@H]1CCCC[C@@H]1C2=O	71774128	CAENESYYSOQKPN-QWRGUYRKSA-N	216.280	3.165	0	50	BGAA	
CC(C)=C[C@@]12OC(=O)[C@@H](C)C[C@@H]1CC[C@@H]2C	71786123	OSLODJVQKSQSGG-MNXVOIDGSA-N	222.328	3.321	0	50	BGAA	
CCCCOc1ccc(Cl)c([N+](=O)[O-])c1	166568294	FMXOYCTVGHOFDJ-UHFFFAOYSA-N	229.663	3.427	0	50	BGAA	
COc1cccc2c1CC[C@@H]2N[C@@H](C)C1CCC1	170043141	SPGVJVWLDZCSHH-NHYWBVRUSA-N	245.366	3.461	0	50	BGAA	
CC(=O)Nc1cccc(N[C@H]2CCC[C@@H]3C[C@H]23)c1	378889899	PHPXEGHPFALRLI-UGFHNGPFSA-N	244.338	3.246	0	50	BGAA	
CC1=CCC[C@]2(C)CC[C@](O)(C(C)(C)O)C[C@@H]12	2332918203	PGKALOHOTKMNJR-NWANDNLSSA-N	238.371	3.035	0	50	BGAA	
CC1(C)CC(NCc2ccccc2)CC(C)(C)N1	140566	OWSKGHZFUXNYJC-UHFFFAOYSA-N	246.398	3.085	0	50	BGAA	
CCC12C[C@@H]3C[C@H](C1)CC(CC(=O)O)(C3)C2	154737	MRQRQHRHPXENRD-WHCAJBEMSA-N	222.328	3.458	0	50	BGAA	in-vitro
CN(C)CC[C@H](c1ccccc1)c1ccccn1	508068	IJHNSHDBIRRJRN-OAHLLOKOSA-N	240.350	3.165	0	50	BGAA	biogenic,fda
O=C(O)c1cc(Cl)ccc1C(F)(F)F	2574966	FWLFUSUVWNEKRN-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	in-vitro
CSc1nc2cc(Br)ccc2[nH]1	13543842	SPSYWCNATOUHJM-UHFFFAOYSA-N	243.129	3.047	0	50	BGAA	
Cc1nc2cc(C(=O)O)ccc2n1C1CCCC1	37309724	LPGAZCJFLBYFMV-UHFFFAOYSA-N	244.294	3.158	0	50	BGAA	
CC(C)c1noc(C(Cl)(Cl)Cl)n1	60276649	NLZBSAZGBAZSOS-UHFFFAOYSA-N	229.494	3.020	0	50	BGAA	in-vitro
Cc1cc(C)c(Nc2cc(C)nc(N)n2)c(C)c1	72437683	ASDMMXKIKULWJY-UHFFFAOYSA-N	242.326	3.036	0	50	BGAA	
Fc1ccc2c(c1)CN(Cc1ccccc1)C2	137701785	XLDDQNUCGPXOQG-UHFFFAOYSA-N	227.282	3.342	0	50	BGAA	
O=C(O)Cc1cc(Cl)cc2ccccc12	238683533	QYUWUJXXOVFMFA-UHFFFAOYSA-N	220.655	3.120	0	50	BGAA	in-vitro
CC1=C[C@H](C)[C@@]2(CO)COC(=C(C)C)[C@H]1[C@H]2C	239305855	GCBFPUQWHILFHW-KYEXWDHISA-N	236.355	3.138	0	50	BGAA	
CN(c1cccc(Cl)c1)c1cc(N)ccn1	1176222029	UENAQOMWPZLAEO-UHFFFAOYSA-N	233.702	3.085	0	50	BGAA	
Cc1ncc(-c2ocnc2CC2CC2)s1	2356168536	HTDRZYAIHFFKSQ-UHFFFAOYSA-N	220.297	3.059	0	50	BGAA	
COc1ccc(CNCc2ccccc2C)cc1	172199	FYGYXNSSEGQBPC-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	biogenic
O=Cc1cc2cc3c(cc2nc1Cl)CCC3	349987	PIJIPWHCETYLSJ-UHFFFAOYSA-N	231.682	3.189	0	50	BGAA	in-vitro
Cc1nn(-c2ccccc2)c2c1[C@@H]1[C@H](C2)C1(C)C	439814	RAKGIIJILSWJIO-WFASDCNBSA-N	238.334	3.476	0	50	BGAA	biogenic
CCCOC(=O)Nc1ccc(C)cc1C	2171312	OZJMCBKQFASEGT-UHFFFAOYSA-N	207.273	3.262	0	50	BGAA	
COCCCNC1CCC(c2ccccc2)CC1	2498904	XANKGJBVERJPKW-UHFFFAOYSA-N	247.382	3.339	0	50	BGAA	
O=Cc1ccc(-c2ccccc2F)s1	4312914	OOEYZMUCJTYAFJ-UHFFFAOYSA-N	206.241	3.367	0	50	BGAA	in-vitro
CCOc1cc(C=O)ccc1OCCC(C)C	11764954	JBGBOVKMZFRZQJ-UHFFFAOYSA-N	236.311	3.323	0	50	BGAA	
FC(F)(F)c1ccc(NC2CCCC2)nc1	20008764	UUGZNCNBBHCTFM-UHFFFAOYSA-N	230.233	3.455	0	50	BGAA	
Brc1ccc(OC2CCCC2)nc1	42388913	ZCTNUTZJUDVPOD-UHFFFAOYSA-N	242.116	3.166	0	50	BGAA	
OCc1ccccc1-c1nccc2ccccc12	65453641	LWEMLBMNCAAQFN-UHFFFAOYSA-N	235.286	3.394	0	50	BGAA	
Cc1nc2[nH]nc(N)c2c(C)c1C1=CCCCC1	96153262	HSNYQZGDUZJQTI-UHFFFAOYSA-N	242.326	3.114	0	50	BGAA	
O=C(O)/C=C/c1c(Cl)cc(F)cc1Cl	263625333	YWHZEYBPFCFUAL-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
CCC[C@H](O)c1ccc(-c2c[nH]nc2C)cc1	534591444	BFEKKNQHENVXHV-AWEZNQCLSA-N	230.311	3.219	0	50	BGAA	
Clc1cnc(CN[C@]23CCCC[C@H]2C3)s1	631225708	KIYHUMONTMPEOT-KWQFWETISA-N	242.775	3.219	0	50	BGAA	
Cc1ccc(NCc2cnc[nH]2)c(Cl)c1C	895076632	XZHLOPVBPQODBR-UHFFFAOYSA-N	235.718	3.292	0	50	BGAA	
C=CC(=O)Nc1ccccc1N1CCC[C@@H](C)C1	1775997729	QMMSXFTUSJDEIV-GFCCVEGCSA-N	244.338	3.047	0	50	BGAA	
Cc1[nH]c2ccccc2c1NC(=O)CC1CC1	1875270450	WUCQUAZATHUKNU-UHFFFAOYSA-N	228.295	3.215	0	50	BGAA	
O=C(c1cc(Cl)ccc1Cl)N1CCCC1	60727	ZBLMSPLMTIKIRS-UHFFFAOYSA-N	244.121	3.229	0	50	BGAA	
CC(=O)N[C@H](C)c1ccc(Cl)c(Cl)c1	295706	LSCBJAULQSUFSZ-ZCFIWIBFSA-N	232.110	3.191	0	50	BGAA	
Nc1cccc2cccc(Br)c12	335295	FKFCNFNWFJYIJU-UHFFFAOYSA-N	222.085	3.185	0	50	BGAA	in-vitro
CCOC(=O)Nc1ccc(C)c(Cl)c1	393159	KJEXITNRKHKKBH-UHFFFAOYSA-N	213.664	3.217	0	50	BGAA	in-vitro
O=C1c2ccccc2CC[C@@H]1Cc1ccncc1	398511	LQEDVMDTNOBJHU-CQSZACIVSA-N	237.302	3.069	0	50	BGAA	
CC(C)c1ccc(CCCC(=O)O)cc1	1599209	COMUZXZDTNYSJE-UHFFFAOYSA-N	206.285	3.217	0	50	BGAA	biogenic,in-vitro
COc1cc(-c2ccccc2)c(C)cc1N	2562426	NLPFRHHIACJMBY-UHFFFAOYSA-N	213.280	3.253	0	50	BGAA	in-vitro
OCc1ccc(-c2ccc(Cl)cc2)cc1	4204203	SKCQMBTWYIRYCY-UHFFFAOYSA-N	218.683	3.499	0	50	BGAA	in-vitro
Cc1cccc([C@H](O)c2ccc(N(C)C)cc2)c1	4244755	WKUUHNMAXXALPB-MRXNPFEDSA-N	241.334	3.143	0	50	BGAA	
C[C@@H](Cc1ccc(C(C)(C)C)cc1)C(=O)O	6020991	DWZYELZGJMFEMJ-JTQLQIEISA-N	220.312	3.247	0	50	BGAA	in-vitro
CCOC(=O)c1cc2cc(C)cc(C)c2nc1C	32099264	YBNLPWMPCOZQQA-UHFFFAOYSA-N	243.306	3.337	0	50	BGAA	
CCC(CC)(c1ccc[nH]1)c1ccc[nH]1	34408682	KTRSZCVMSUTGDF-UHFFFAOYSA-N	202.301	3.449	0	50	BGAA	
Cc1cc(-c2ccc(N)cc2)ccc1F	38069085	WXOIEXUDPPEUAF-UHFFFAOYSA-N	201.244	3.383	0	50	BGAA	
CC(=O)OC1CC23CC=CCC2(CC=CC3)C1	45027887	KPRMFZRURKWOAY-UHFFFAOYSA-N	232.323	3.385	0	50	BGAA	
Nc1ccc(Cl)c(OC2CCCC2)c1	69635107	SUUZYVQOVSNKRD-UHFFFAOYSA-N	211.692	3.244	0	50	BGAA	in-vitro
Cc1ccc(Cl)c(-c2ccc(N)nc2)c1	85477078	XXKJZCVCXYTHGX-UHFFFAOYSA-N	218.687	3.293	0	50	BGAA	in-vitro
O=C1Nc2ccccc2/C1=C\Nc1ccccc1	100695053	CAKKKSYOHBKDHQ-JLHYYAGUSA-N	236.274	3.092	0	50	BGAA	
Oc1ccc(OCc2ccccc2)cc1S	118105136	ZVTXBVHMXXIZNA-UHFFFAOYSA-N	232.304	3.260	0	50	BGAA	
Cc1c(Cl)sc(Cl)c1C(=O)O	143222987	JPYXBZFCVCNOHB-UHFFFAOYSA-N	211.069	3.062	0	50	BGAA	
Cc1cc(O)cc(C)c1-c1cccc([C@@H](C)O)n1	426621790	SAKZWLIOUUBTKI-LLVKDONJSA-N	243.306	3.124	0	50	BGAA	
CC/C=C(\C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1	584907085	WRIZUOYFCPBRHU-VAZNYKRKSA-N	235.371	3.428	0	50	BGAA	
Fc1ccc(N[C@H]2C[C@@H]3CCCC[C@@H]32)cn1	712455481	QEHPMQRYMZXLFP-DLOVCJGASA-N	220.291	3.211	0	50	BGAA	
C[C@@H]1CC[C@H]2[C@H](N1)c1ccccc1OC2(C)C	822395294	JKYWBXHMWFQXCG-SCDSUCTJSA-N	231.339	3.287	0	50	BGAA	
CCc1ccccc1NC(=O)Cc1cccs1	30692	DLHHZWIMKCROKH-UHFFFAOYSA-N	245.347	3.492	0	50	BGAA	
CC(C)OC(=O)Nc1ccccc1Cl	396563	YLZUJFLALUCJQI-UHFFFAOYSA-N	213.664	3.297	0	50	BGAA	
CO[C@@H](c1ccccc1)[C@@H](O)c1ccccc1	405273	DAUUWYCGIFAYBG-GJZGRUSLSA-N	228.291	3.108	0	50	BGAA	
CCN(CC)CCCOc1cc(C)cc(C)c1	2894832	XJYMNJRPFNCESI-UHFFFAOYSA-N	235.371	3.414	0	50	BGAA	
CCC(CC)NC(=O)Cc1ccc(Cl)cc1	4672334	HXFDGDGTLAGYAU-UHFFFAOYSA-N	239.746	3.187	0	50	BGAA	
Cc1cc(Cl)cc(Br)c1O	4791940	AAIDNHOUZKFBTC-UHFFFAOYSA-N	221.481	3.117	0	50	BGAA	in-vitro
C[C@@H]1CCCN(c2ccc(N)cc2Cl)C1	8701179	GVZXCXVRHHROFD-SECBINFHSA-N	224.735	3.159	0	50	BGAA	in-vitro
CC[C@@H](C)NC(=O)N[C@H]1CCCc2ccccc21	13745664	UEELWSAGBLVMTD-RISCZKNCSA-N	246.354	3.162	0	50	BGAA	
CSc1ccc(C)cc1/C(C)=C\C(=O)O	25630497	QNJLHYABZQJVSD-CLFYSBASSA-N	222.309	3.205	0	50	BGAA	
CCOc1cc(-c2nccn2C(C)C)ccc1O	67852088	LHWRBQDAXGJYMI-UHFFFAOYSA-N	246.310	3.235	0	50	BGAA	
CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccccc1	82610337	MBZAGPLGLMIZOL-NWDGAFQWSA-N	233.311	3.067	0	50	BGAA	
CO[C@@H](COc1ccccc1)c1ccccc1	226171728	DKLBUIVESCYJFT-HNNXBMFYSA-N	228.291	3.453	0	50	BGAA	
CCC(CC)N[C@@H]1CCCc2[nH]ccc21	389905426	GUHLQXVKAYGCJL-CYBMUJFWSA-N	206.333	3.170	0	50	BGAA	
Cc1nc2cc(-c3cnccn3)ccc2s1	1250443434	YCZFVJXVCGZTLS-UHFFFAOYSA-N	227.292	3.062	0	50	BGAA	
COc1cnccc1-c1ccc([C@@H](C)OC)cc1	2100480650	MKRZWEYWBAYCNC-LLVKDONJSA-N	243.306	3.465	0	50	BGAA	
CCC(=O)Nc1ccc(Br)cc1C	514160	NNERYNFNPZELNI-UHFFFAOYSA-N	242.116	3.106	0	50	BGAA	
O=Cc1ccc(-c2ccccc2Cl)nc1	2527552	WEQSNAPAYMJMJE-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	in-vitro
Nc1ccc2oc(-c3ccccc3)cc(=O)c2c1	2548243	YWHKBWPNCFDUPQ-UHFFFAOYSA-N	237.258	3.042	0	50	BGAA	biogenic
CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O	2557812	WUEFGQXWIWCINJ-GFCCVEGCSA-N	236.311	3.226	0	50	BGAA	
CCOP(Nc1ccccc1)OCC	5316512	AOSDIQRAKHSDQA-UHFFFAOYSA-N	213.217	3.398	0	50	BGAA	
CCCCCCC(=O)OCc1ccco1	32225942	VZRGLBPRLIGTPE-UHFFFAOYSA-N	210.273	3.293	0	50	BGAA	
C[C@@H](O)c1ccccc1OCc1ccc(F)cc1	35627141	DWXXEQGXQGCSJG-LLVKDONJSA-N	246.281	3.458	0	50	BGAA	in-vitro
O=C1C[C@@H]2CCCC[C@H]2c2ccc(O)cc21	45027564	VYSBBTQKZSGCIX-GXSJLCMTSA-N	216.280	3.252	0	50	BGAA	
Clc1cc(Cl)c2c(n1)CCCC2	85217571	VGKOBWWSTKFWJJ-UHFFFAOYSA-N	202.084	3.267	0	50	BGAA	in-vitro
Oc1ccc(OCc2ccccc2)c(F)c1F	138821291	LAHDIBOQQCUSEG-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
CC(C)[C@H](C)N(C)Cc1cc(C(C)(C)C)on1	252485353	GRXYPVGCBAXWGY-NSHDSACASA-N	238.375	3.448	0	50	BGAA	
c1c2c(cc3c1[C@H]1CC[C@H]3O1)[C@H]1CC[C@H]2O1	254590448	VTFDVQAKALSSMI-AAVRWANBSA-N	214.264	3.499	0	50	BGAA	
C[C@@H]1CCN1C(=O)CC12CC3CC(CC(C3)C1)C2	620212021	JQXPRPPLPQSEKS-UWJCENJNSA-N	247.382	3.214	0	50	BGAA	
c1ccc(C[n+]2csc3ccccc32)cc1	41240	DUYUXBIGMDWPQH-UHFFFAOYSA-N	226.324	3.237	0	50	BGAA	
COC(=O)c1ccccc1-c1ccc(OC)cc1	1259164	RZIFWMFGIZWKOL-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
CCN(CC)CCC[C@@H](C)NCc1ccccc1	2042456	GDJJNFBDGFNYMO-OAHLLOKOSA-N	248.414	3.287	0	50	BGAA	
CC(=O)c1cccc(-c2ccc(C(=O)O)cc2)c1	2513020	NNPZXRZBAVBTGL-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	in-vitro
Cc1ccc(C)c(NC(=O)c2ccco2)c1	2779964	PGSHSKWBPZTMFB-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
CC[C@H](C)NCCOc1ccc(C)c(C)c1	2822287	PPPFNGAGZJHJKP-ZDUSSCGKSA-N	221.344	3.070	0	50	BGAA	
Nc1ccc2[nH]c(-c3ccc(Cl)o3)nc2c1	4543048	RGPBLUSCNJXDFM-UHFFFAOYSA-N	233.658	3.059	0	50	BGAA	
C[C@@H]1CCCC[C@H]1NCc1ccc2c(c1)OCO2	5005405	PQENMMWEJCXONM-DGCLKSJQSA-N	247.338	3.084	0	50	BGAA	
Cc1cc(C)c(C(=O)Nc2ccncc2)c(C)c1	6714565	FWJLWYDRXVGZQX-UHFFFAOYSA-N	240.306	3.259	0	50	BGAA	
CCCc1sc(N)nc1-c1ccc(F)cc1	19093893	ZNCDVAKZGHTBJN-UHFFFAOYSA-N	236.315	3.484	0	50	BGAA	in-vitro
CC(C)Cn1ncc2[nH]c(-c3cccs3)nc21	20907305	AGAMBICZMJZUFN-UHFFFAOYSA-N	246.339	3.144	0	50	BGAA	
Cc1ccc(-c2c(F)cccc2OC(C)C)nn1	67696874	WHFHHLAOTOYSHD-UHFFFAOYSA-N	246.285	3.378	0	50	BGAA	
Fc1ccc(S)c(F)c1C(F)(F)F	71792193	VZPOEMGLDJHIEX-UHFFFAOYSA-N	214.158	3.272	0	50	BGAA	
CC(C)(Cc1ccccc1)N1CCCC1	96026882	NVHUBFCZZDBPCC-UHFFFAOYSA-N	203.329	3.104	0	50	BGAA	
CCOCSc1ccnc2ccccc12	252533213	GGGJETFOCFRVSS-UHFFFAOYSA-N	219.309	3.321	0	50	BGAA	
Cc1ccc(-c2cnc3cnccn23)cc1C	2100539282	AVZWDMZUICSVCZ-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	
CC(=O)c1cc2cc(Br)ccc2o1	91049	YPIQPBGNNXXKNI-UHFFFAOYSA-N	239.068	3.398	0	50	BGAA	in-vitro
COc1ccc2nc(C)cc(Cl)c2c1	157804	WABDZSKKLDCIRM-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
Cc1ccc2nc(NC(=O)C(C)C)sc2c1	362583	PYPCZORSCDFQAB-UHFFFAOYSA-N	234.324	3.199	0	50	BGAA	
CC(C)Oc1ccc2c3c(c(=O)oc2c1)CCC3	459250	RZXMZNWFVSWDJD-UHFFFAOYSA-N	244.290	3.069	0	50	BGAA	
CC1CCN(C(=O)CCC2CCCC2)CC1	473937	IMCTYDGIARSRHI-UHFFFAOYSA-N	223.360	3.215	0	50	BGAA	
Clc1ccc(CNc2ccccn2)s1	1708785	OSACOEMXJXFBLV-UHFFFAOYSA-N	224.716	3.409	0	50	BGAA	
CC(=S)Nc1ccc(C(F)(F)F)cc1	3471156	UQMHSFLLSVQNGL-UHFFFAOYSA-N	219.231	3.465	0	50	BGAA	
CC1(C)C=C(c2ccc(O)cc2)CC(C)(C)N1	3683707	OMZWFKGBMAAUGV-UHFFFAOYSA-N	231.339	3.326	0	50	BGAA	
COc1ccccc1CCN[C@H]1CCC[C@@H](C)C1	4989458	XZXUVOKVGKVQFF-HIFRSBDPSA-N	247.382	3.406	0	50	BGAA	
CC(C)Oc1cccc(C(=O)N2CCCCC2)c1	6701915	RWAYZYBAXRJOSK-UHFFFAOYSA-N	247.338	3.100	0	50	BGAA	
CC(C)=CCC[C@@H](C)CCN1CCN(C)CC1	19608664	SKRKKINCKPLLBV-OAHLLOKOSA-N	238.419	3.006	0	50	BGAA	
CC(=O)N1C2=CCCC[C@]2(C)c2ccccc21	71774196	DNTWQEPDAUHNLM-OAHLLOKOSA-N	227.307	3.379	0	50	BGAA	
COc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2C=C[C@@H]12	230110935	ZKOWCPSHYWPWGS-KQXIARHKSA-N	210.276	3.248	0	50	BGAA	
O[C@]1(c2ccccc2)C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	245225286	RHJLKXNREDSSQB-XJBGLIRHSA-N	228.335	3.330	0	50	BGAA	
C[C@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1	287195	FZHFAAZUPUOGKU-JTQLQIEISA-N	236.290	3.090	0	50	BGAA	
COc1ccccc1NC(=O)N1CCCC[C@H]1C	401529	JPGCOOUWQSISAO-LLVKDONJSA-N	248.326	3.102	0	50	BGAA	
C[C@H](CCc1ccccc1)NC(=O)C(C)(C)C	407575	NGUNBIGBAQEKGP-GFCCVEGCSA-N	233.355	3.170	0	50	BGAA	
CCCC(=O)Nc1ccc(OC)c(Cl)c1	444401	YARUWRVNNXPHIJ-UHFFFAOYSA-N	227.691	3.087	0	50	BGAA	
Clc1cccc(CNCc2cccnc2)c1	784585	PNZCPRKQXNUELZ-UHFFFAOYSA-N	232.714	3.025	0	50	BGAA	
COc1ccc(CCNCc2ccccc2)cc1	2738648	XHHDGXBYSDCBSY-UHFFFAOYSA-N	241.334	3.028	0	50	BGAA	
Cc1ccc(C)c(NC(=O)NC2CCCC2)c1	6742514	BJEHRDSKXJVJJD-UHFFFAOYSA-N	232.327	3.368	0	50	BGAA	
CC[C@H](Oc1ccccc1[C@@H](C)CC)C(=O)O	10473493	XAMHWZJEVYGSKH-JQWIXIFHSA-N	236.311	3.442	0	50	BGAA	
OCCc1cccc(-c2ccc(F)cc2)c1	15441195	HLVFZMCPTFRGQK-UHFFFAOYSA-N	216.255	3.028	0	50	BGAA	
COC(=O)c1cccc2c1NC(C)(C)C=C2C	34544507	FNTWVFJKVBWXNB-UHFFFAOYSA-N	231.295	3.081	0	50	BGAA	
CC(C)(C(=O)O)c1cccc(C(F)(F)F)c1	37934469	XJOFPJZWSSQZMN-UHFFFAOYSA-N	232.201	3.068	0	50	BGAA	in-vitro
O=C(O)c1ncccc1-c1ccc(Cl)cc1	41262118	MAPRHKIAJXCOOQ-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
CCC[C@H](NC(C)C)C(=O)c1ccccc1	238255127	YKMMLFOYDTYAGR-ZDUSSCGKSA-N	219.328	3.036	0	50	BGAA	in-vitro
C[C@@H]1[C@@H](N[C@@H](CCO)C(C)(C)C)CCC[C@H]1C	252510780	BKFITVRKDCKJJD-RFGFWPKPSA-N	241.419	3.198	0	50	BGAA	
Cc1ccc(C(=O)N2[C@H]3CCC[C@H]2CC3)cc1C	378033292	DFYWAOFVMCIMLI-GJZGRUSLSA-N	243.350	3.461	0	50	BGAA	
CC(C)Oc1cccc2cnc(Cl)nc12	382772538	RWYWTXLNIPPSCY-UHFFFAOYSA-N	222.675	3.070	0	50	BGAA	
CC(C)Oc1cc(Cl)ccc1[C@H](C)N	601014817	SSYDLGSFURQIAT-QMMMGPOBSA-N	213.708	3.147	0	50	BGAA	
Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1	265646	PAHDPXOLONPKTP-ZDUSSCGKSA-N	233.698	3.004	0	50	BGAA	
Cc1cc(C)c2c(=O)cc(C(F)F)oc2c1	304952	MAASTNHFYCXVGG-UHFFFAOYSA-N	224.206	3.347	0	50	BGAA	
C[C@@H]1CC(C)(C)Cc2c1sc1nc[nH]c(=O)c21	309265	KHPXLZVZHSKEPY-SSDOTTSWSA-N	248.351	3.061	0	50	BGAA	
CC1=[N+]([O-])C(C)(C)C[C@H](C)c2ccccc21	377049	YSCYVRIPLIXAAW-JTQLQIEISA-N	217.312	3.292	0	50	BGAA	biogenic
Clc1ccc(-c2nnc3ccccn23)cc1	1427190	LWWVUFZFJIKOCX-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)c1cncs1	4728163	BQSOZXHXKOKLMY-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
CCNCCOc1ccc(-c2ccccc2)cc1	6704840	VTERJZDLKANKPW-UHFFFAOYSA-N	241.334	3.342	0	50	BGAA	
CCN(CC)CCN(C)C1CCCCCCC1	19636002	NFJGXGZJTBCVSR-UHFFFAOYSA-N	240.435	3.373	0	50	BGAA	
F[C@@]1(c2ccccc2)CC1(Cl)Cl	96028563	PBTRXMKQOHZUKG-MRVPVSSYSA-N	205.059	3.429	0	50	BGAA	
CC[C@@H](NC1CCCCCC1)c1ncc(C)[nH]1	670468335	XVIRTFFWYHVXCK-CYBMUJFWSA-N	235.375	3.482	0	50	BGAA	
CCc1ccc(OC(=O)C(C)(C)C)c(OC)c1	2357003043	ZITQYHHKBYAVSF-UHFFFAOYSA-N	236.311	3.209	0	50	BGAA	
Cc1ccccc1NC(=O)c1ccc(F)cc1	29776	DLMPAJQXLYSWKU-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CCC(=O)c1ccccc1C(F)(F)F	157123	PUSBIOFSWWHNDD-UHFFFAOYSA-N	202.175	3.298	0	50	BGAA	in-vitro
COc1ccc(CNc2ccccc2)cc1OC	323225	RVBRHEDEWVLKEC-UHFFFAOYSA-N	243.306	3.316	0	50	BGAA	
Cc1occc1-c1nc(-c2ccccc2)no1	336624	AZJKQHPQEWCXII-UHFFFAOYSA-N	226.235	3.305	0	50	BGAA	
O[C@@H](Cc1nc2ccccc2o1)c1ccccc1	539780	CJWGWSJTRIXJTQ-ZDUSSCGKSA-N	239.274	3.104	0	50	BGAA	
C[C@@H](CC(=O)Nc1cccnc1)c1ccccc1	859981	KRFFEXOORXKQEH-LBPRGKRZSA-N	240.306	3.214	0	50	BGAA	
Oc1cc(C(F)(F)F)cc(Cl)c1F	2382184	OKLHLYVTNGBKCI-UHFFFAOYSA-N	214.545	3.204	0	50	BGAA	
C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1O	3128013	MTDQUGFHWNNIRX-ZFXDNOLMSA-N	236.314	3.274	0	50	BGAA	
COc1ccc2c(c1)c(C=O)cn2C(C)C	4414653	WNFMGSQKONYSKM-UHFFFAOYSA-N	217.268	3.043	0	50	BGAA	biogenic
N[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21	5678089	BWLLTVHXDXVUIQ-SNVBAGLBSA-N	220.703	3.157	0	50	BGAA	
Cc1ccc(C)c(-c2csc(C(=O)O)n2)c1	12404857	ONTNYTCJEFPHSY-UHFFFAOYSA-N	233.292	3.125	0	50	BGAA	
CC(=O)N[C@@H](c1ccccc1)c1ccccc1C	32497840	MTXCBBSDWXDJKB-INIZCTEOSA-N	239.318	3.221	0	50	BGAA	
CNc1cc(Cl)ccc1Br	38537768	GKGLRMIRFBTKCR-UHFFFAOYSA-N	220.497	3.144	0	50	BGAA	in-vitro
C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C)c1ccccc1	125872100	ILSORFWOXXZGSZ-MCIONIFRSA-N	245.366	3.437	0	50	BGAA	
C[C@@H]1C[C@@H]1c1nc(-c2ccc3[nH]ccc3c2)no1	225590279	REBCAFXCQKUNRP-KCJUWKMLSA-N	239.278	3.341	0	50	BGAA	
FCc1cc(Br)ccc1F	231184844	WLUQQKYPYRYMHY-UHFFFAOYSA-N	207.017	3.058	0	50	BGAA	
c1ccc(-c2cncc(Oc3cnccn3)c2)cc1	1458411786	BYNLCAJXRRASDC-UHFFFAOYSA-N	249.273	3.331	0	50	BGAA	
Cc1nc(COc2ccnc(C3CC3)c2)cs1	1775991980	NYVBOSMLZLNWFB-UHFFFAOYSA-N	246.335	3.303	0	50	BGAA	
Cc1nc2ccccc2n1C(=O)c1cccs1	62948	JJTXTAMFDCPENL-UHFFFAOYSA-N	242.303	3.095	0	50	BGAA	
Cc1cccc(NC(=O)NC(C)(C)C)c1C	399568	RBSZPPVWKUQZJM-UHFFFAOYSA-N	220.316	3.223	0	50	BGAA	
CCSc1ccccc1C(=O)N1CCCCC1	609619	BCUXUCKMEFWJAS-UHFFFAOYSA-N	249.379	3.425	0	50	BGAA	
CCOc1ccc(C=O)cc1C(C)(C)C	5653790	DPWPVBWJIABALM-UHFFFAOYSA-N	206.285	3.195	0	50	BGAA	
Nc1nc2c(ccc3ccccc32)s1	8580408	FECQXVPRUCCUIL-UHFFFAOYSA-N	200.266	3.032	0	50	BGAA	in-vitro
COc1cccc(-c2ccc3c(n2)CCC3)c1	39150273	KNWPOOXOPVIXER-UHFFFAOYSA-N	225.291	3.246	0	50	BGAA	
Brc1ccc2c(C3CC3)n[nH]c2c1	74934348	ZVQAEYFKLBCBMY-UHFFFAOYSA-N	237.100	3.203	0	50	BGAA	in-vitro
CC(=O)OC[C@H]1[C@]23CC=CC[C@]12CCCC3	253491620	NEVSGDHNBMPVQO-BTTYYORXSA-N	220.312	3.076	0	50	BGAA	
CCCc1nnc(N(C)C2CCCCC2)s1	301661674	KBWBLDDFARRRGE-UHFFFAOYSA-N	239.388	3.260	0	50	BGAA	
CCn1ncnc1[C@@H](C)Sc1ccc(C)cc1	823609606	PWIBJZZMBPGVLH-LLVKDONJSA-N	247.367	3.460	0	50	BGAA	
O=C(/C=C/c1ccccc1)Nc1cccc(O)c1	123904	IIFFDQOHESPFOL-MDZDMXLPSA-N	239.274	3.044	0	50	BGAA	
OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	125043	BJTWPJOGDWRYDD-UHFFFAOYSA-N	244.134	3.217	0	50	BGAA	in-vitro
O=C(CSc1ccccc1)N1CCCCCC1	2064548	JPUNTXMJONPRIQ-UHFFFAOYSA-N	249.379	3.181	0	50	BGAA	
Cc1ccc(C(N)c2ccc(C)cc2)cc1	4283734	KMPMUIHLWYUKCS-UHFFFAOYSA-N	211.308	3.352	0	50	BGAA	in-vitro
CCN(CC)C(=O)N(CC)C1CCCCC1	4838800	KXFQROPATKJGAG-UHFFFAOYSA-N	226.364	3.103	0	50	BGAA	
Cc1ccc(Nc2cc(Cl)nc(N)n2)cc1C	12421656	VDOQKRCOTASIDR-UHFFFAOYSA-N	248.717	3.073	0	50	BGAA	
O=C(O)/C=C\c1ccc(Cl)cc1Cl	16891583	MEBWABJHRAYGFW-RQOWECAXSA-N	217.051	3.091	0	50	BGAA	
N[C@@H]1CCCC[C@H]1c1c[nH]c2ccccc12	37632879	XNYGRAFWZLKHBH-GXFFZTMASA-N	214.312	3.153	0	50	BGAA	in-vitro
CC(C)n1cnc2cc(Br)ccc21	40456649	MVNOCKJHUYTFKL-UHFFFAOYSA-N	239.116	3.380	0	50	BGAA	in-vitro
CCc1ccc(F)c(Br)c1	60249370	CJXWORGKEZAUAP-UHFFFAOYSA-N	203.054	3.151	0	50	BGAA	
O=Cc1cc(F)ccc1C#Cc1ccccc1	140979188	CVVZKIZTBMTKLW-UHFFFAOYSA-N	224.234	3.038	0	50	BGAA	
Cc1c(/C=C/C(=O)O)ccc(Cl)c1Cl	146609756	FQVQUPKVOPIRQL-HWKANZROSA-N	231.078	3.400	0	50	BGAA	
NCc1cc(-c2cccs2)nn1C1CCCC1	225521305	WKVIDCJDTYIWEO-UHFFFAOYSA-N	247.367	3.185	0	50	BGAA	
CCCCN(CC)[C@H](C)c1nnc(C)s1	225579273	KSJLHIZBKNRIHA-SECBINFHSA-N	227.377	3.030	0	50	BGAA	
CC1=C[C@@H](C)[C@@]2(CO)COC(=C(C)C)[C@H]1[C@H]2C	239305856	GCBFPUQWHILFHW-RGCMKSIDSA-N	236.355	3.138	0	50	BGAA	
CC[C@H](C)NC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	248209016	CGHJVCYKLPPAAV-MDZLAQPJSA-N	249.354	3.250	0	50	BGAA	
CC(C)CCOc1cc(O)c(F)cc1F	261493675	GWMZSTLPEYGJTL-UHFFFAOYSA-N	216.227	3.095	0	50	BGAA	
Nc1ccccc1C(=O)Nc1ccc(Cl)cc1	31299	RHCJFZKQYODIDI-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)c2ccc(F)cc2)cc1	64891	FYIMLKPLYFXRDM-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CC(=O)c1c(O)cccc1OCCC(C)C	157762	KFBRVHJODGMLFK-UHFFFAOYSA-N	222.284	3.020	0	50	BGAA	
O=C(O)[C@H](Cc1ccccc1)c1ccccc1	164152	PCRICPYPVZKEBZ-CQSZACIVSA-N	226.275	3.098	0	50	BGAA	biogenic,in-vitro
O=C(CCc1ccccc1)NC1CCCCC1	442228	HCSWKGUBQJFNIE-UHFFFAOYSA-N	231.339	3.068	0	50	BGAA	in-vitro
O=c1cc(Cl)c2cccc(C(F)(F)F)c2[nH]1	2555430	PQCSVYRBDRJKHQ-UHFFFAOYSA-N	247.603	3.200	0	50	BGAA	
CCC(CC)C(=O)N1CCc2ccccc2C1	5917365	SUNNOBQBONXHNN-UHFFFAOYSA-N	231.339	3.008	0	50	BGAA	
Cc1cc(C)c(/C=C2\C(=O)Nc3ccccc32)[nH]1	12410091	WUWDLXZGHZSWQZ-WQLSENKSSA-N	238.290	3.124	0	50	BGAA	aggregator,world
Cc1cc(C)cc(Nc2cc(Cl)nc(N)n2)c1	12421657	PSWMAIOSFRYTCY-UHFFFAOYSA-N	248.717	3.073	0	50	BGAA	
O=C1CC2(CCCCC2)Oc2ccccc21	13108144	DBQLMDVZSFDTRL-UHFFFAOYSA-N	216.280	3.355	0	50	BGAA	in-vitro
Cc1c(Br)ccc2cc[nH]c12	14985835	KQNXKBLDFQVFQD-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
Clc1cccc(CNC2CCCC2)c1	16398831	ZYNROCONMDRFNE-UHFFFAOYSA-N	209.720	3.372	0	50	BGAA	
CC(=O)c1ccccc1NC(=O)OC(C)(C)C	38003855	GSAPPURHQAMLCE-UHFFFAOYSA-N	235.283	3.236	0	50	BGAA	
c1c[nH]c(-c2ccc(CN3CCCCC3)cc2)n1	72233437	FZVYUKOWQIQNOQ-UHFFFAOYSA-N	241.338	3.063	0	50	BGAA	
CC(C)SCCn1ccc2ccccc2c1=O	95366472	LZXXNAULEZKXNF-UHFFFAOYSA-N	247.363	3.143	0	50	BGAA	
COCCOc1cc(Cl)ccc1Cl	96989943	OKAUBAZETNZJKG-UHFFFAOYSA-N	221.083	3.019	0	50	BGAA	
COc1cc(O)c(Cl)c2ccccc12	230891207	GIJJNFUULUDEMU-UHFFFAOYSA-N	208.644	3.207	0	50	BGAA	
C[C@H]1C[C@@H](C)C[C@H](Nc2ncnc3[nH]ccc23)C1	352242296	SXLFIMKBSLGBIW-URLYPYJESA-N	244.342	3.195	0	50	BGAA	
C[C@@H]1CC[C@H](n2cc(-c3ccccc3)nn2)C1	585124277	KLFSZANXUKIBLY-YPMHNXCESA-N	227.311	3.306	0	50	BGAA	
Cc1nc2cc(-c3ncccc3N)ccc2s1	1243936278	YKOKMAXQEZBEMB-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
CO[C@H](C)c1ccc(-c2ccnc(O)c2)cc1	1506430524	XICQEOMLZPZMLG-SNVBAGLBSA-N	229.279	3.162	0	50	BGAA	
CC(C)c1cc2cc(/C=C/C(=O)O)c(O)cc2o1	296249	LJDWGBJXUFJLRC-ONEGZZNKSA-N	246.262	3.360	0	50	BGAA	
COc1ccc(NC(=O)NC2CCCCC2)cc1	395455	KZOFCHITIRGEGY-UHFFFAOYSA-N	248.326	3.149	0	50	BGAA	in-vivo
O=C(NC1CCCCCCC1)C1CCCC1	473664	OJSMATFRKWDGAU-UHFFFAOYSA-N	223.360	3.406	0	50	BGAA	
Brc1ccccc1-n1cccc1	1519663	GFZKXLBCEOLJJH-UHFFFAOYSA-N	222.085	3.240	0	50	BGAA	in-vitro
CCC(=O)c1cccc(C(F)(F)F)c1F	2169760	GUQSGIYHKUPVTH-UHFFFAOYSA-N	220.165	3.437	0	50	BGAA	in-vitro
COc1ccc(C)cc1NC(=O)c1ccc(C)o1	2740442	XKZJBYMURRKYGY-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
O=C(CC1CCCCC1)NC1CCCC1	2986698	LVFLIHKXGKGQSF-UHFFFAOYSA-N	209.333	3.016	0	50	BGAA	
N=C(O)C[C@H](c1ccccc1)c1ccco1	3906243	CKLQHNBOMYNJCW-LLVKDONJSA-N	215.252	3.337	0	50	BGAA	
CN(C)CCCOc1cccc(C(C)(C)C)c1	4870190	IDXVKDSNYFCQQD-UHFFFAOYSA-N	235.371	3.315	0	50	BGAA	
CN(C(=O)CC(C)(C)C)c1ccccc1	5481402	WDJYLEAZYLJLQG-UHFFFAOYSA-N	205.301	3.086	0	50	BGAA	
CCCCOc1ccc(C(=O)N[C@@H](C)CC)cc1	6273751	DPUCHBALQUVVRK-LBPRGKRZSA-N	249.354	3.394	0	50	BGAA	
CCOc1ccccc1NC(=O)N[C@H](C)CC	6698335	ZEQSSSMHDYRQQW-SNVBAGLBSA-N	236.315	3.005	0	50	BGAA	
C[C@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2)C1	12989386	NFQPHYQZPVGTLH-TXEJJXNPSA-N	232.327	3.196	0	50	BGAA	
Nc1nc2ccccc2cc1-c1ccccc1	16123651	CIHDZAQRRFHMLW-UHFFFAOYSA-N	220.275	3.484	0	50	BGAA	in-vitro
O=c1[nH]c2ccc(F)cc2cc1-c1ccccc1	32099758	GHLQAZCROBIELY-UHFFFAOYSA-N	239.249	3.334	0	50	BGAA	in-vitro
CC(C)[C@H]1CCC(Br)=C(CO)C1	43199214	DRLYSMGDEFJMER-QMMMGPOBSA-N	233.149	3.084	0	50	BGAA	
Oc1cccc(-c2cccc(F)c2F)c1	65339967	DKFRZASGCBXYNK-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	
Cc1ccnc(N[C@H](C)c2ccc(F)cc2F)n1	95392335	FBIHNUOAHFLQLV-SECBINFHSA-N	249.264	3.236	0	50	BGAA	
NCCC[C@@]1(C2=CCCCC2)CCCC[C@@H]1O	96026515	AWGYJUNTRGVGIK-LSDHHAIUSA-N	237.387	3.147	0	50	BGAA	
CCOC(=O)c1cc2ccc(C)cc2s1	166330987	TUWHNNNICNHLOV-UHFFFAOYSA-N	220.293	3.386	0	50	BGAA	
Cc1cc(N2CCC[C@@H](C(F)(F)F)C2)ccn1	185525039	AFJDTPPXTRKKNY-SNVBAGLBSA-N	244.260	3.169	0	50	BGAA	
c1cnc2ccc(-c3nccn3C3CC3)cc2c1	1875246670	FAKBMLCNMOWZLH-UHFFFAOYSA-N	235.290	3.433	0	50	BGAA	
O=C(c1ccccc1)c1ccc(F)cc1	105242	OGTSHGYHILFRHD-UHFFFAOYSA-N	200.212	3.057	0	50	BGAA	
COc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1	265431	DJJPYNLLZYGDPI-VQHVLOKHSA-N	244.246	3.053	0	50	BGAA	
O=C(Cc1ccccc1)OCCc1ccccc1	393780	ZOZIRNMDEZKZHM-UHFFFAOYSA-N	240.302	3.015	0	50	BGAA	endogenous,in-man
CCCCc1ccc(NC(C)=O)c(C)c1	2565087	ZFVMECVBUGMWIX-UHFFFAOYSA-N	205.301	3.296	0	50	BGAA	
CN(C)C(=O)c1ccc(-c2ccccc2)cc1	5508930	QNBIPRKUOSLWQE-UHFFFAOYSA-N	225.291	3.055	0	50	BGAA	
Cc1ccc(-c2ccc(F)c(C(=O)O)c2)cc1	38068116	IYTVYDHFZDUNIM-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
CC[C@@H](c1cccnc1)N(C)Cc1ccccn1	65528173	WULZOFQOKSGGJZ-HNNXBMFYSA-N	241.338	3.060	0	50	BGAA	
Cc1nc2cc(OCCC3CC3)ccc2o1	2325798365	WBXLLHYFIUPXSY-UHFFFAOYSA-N	217.268	3.315	0	50	BGAA	
Cc1ccc(NCc2ccccn2)cc1C	263310	HRRDQXSEANRANF-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
Nc1cccc(C(F)(F)F)c1Br	2383008	XIUJCAJFRWDEKE-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	in-vitro
Cc1ccc(Oc2ccccc2C(=O)O)cc1	2565466	GRUODACYFFPYCV-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	
CCCCNCCCOc1c(C)cccc1C	2898527	NVPRCNAKLUSQJU-UHFFFAOYSA-N	235.371	3.462	0	50	BGAA	
O=c1cc(-c2ccccc2)[nH]c2ccccc12	8578607	JGABMVVOXLQCKZ-UHFFFAOYSA-N	221.259	3.195	0	50	BGAA	biogenic,in-vitro
CCOC(=O)c1cc(O)c2cc(C)sc2c1	34618346	HZIPQKGDJQNKBM-UHFFFAOYSA-N	236.292	3.092	0	50	BGAA	
Nc1cnc2cc(Cl)cc(Cl)c2c1	62864160	UFFVDHLRXZYHPY-UHFFFAOYSA-N	213.067	3.124	0	50	BGAA	in-vitro
Clc1cccc2ccc(-c3ncc[nH]3)nc12	67982396	IBDKKBZHICOMII-UHFFFAOYSA-N	229.670	3.278	0	50	BGAA	
Cc1cnc(CN[C@H]2CCCCC2(C)C)o1	119950369	CWRLSHJPWVJZJJ-NSHDSACASA-N	222.332	3.041	0	50	BGAA	
Oc1c(OC(F)F)ccc(Cl)c1Cl	263623645	JGUCZUPXEVQZSM-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
CC1(C)CC[C@@H](N2CCC[C@H](c3ncc[nH]3)C2)C1	336328043	PXEPGANQAXUEJB-QWHCGFSZSA-N	247.386	3.168	0	50	BGAA	
CCc1ccccc1NC(=O)NCc1ccco1	396997	GLZDILVUYBRZHP-UHFFFAOYSA-N	244.294	3.164	0	50	BGAA	
CCOC(OCC)[C@H]1C[C@H]1c1ccccc1	401587	XDFRERJYVKNAFM-STQMWFEESA-N	220.312	3.189	0	50	BGAA	in-vitro
Cc1ccccc1OCCCc1c(C)n[nH]c1C	2497145	XPXFKDKIWGXFMB-UHFFFAOYSA-N	244.338	3.347	0	50	BGAA	
Cn1c(-c2csc3ccccc23)n[nH]c1=S	2569158	HYAGAYJNXSBVSP-UHFFFAOYSA-N	247.348	3.359	0	50	BGAA	
c1csc(-c2cn3ccccc3n2)c1	3033246	HZILEJRCRXMSNM-UHFFFAOYSA-N	200.266	3.063	0	50	BGAA	
COc1ccccc1COc1cccc(C=O)c1	9237542	CXFYLWXBMGWLKO-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro
Clc1ccc2c(-n3ccnc3)ccnc2c1	15084136	BGGDSACPMZOYDU-UHFFFAOYSA-N	229.670	3.074	0	50	BGAA	
FC(F)(F)c1ccc(NCc2ccco2)nc1	20023654	LGDZITXZWJDMQM-UHFFFAOYSA-N	242.200	3.306	0	50	BGAA	
O=C1C=CC23CC=CCC2(CC=CC3)C1	44143786	CFRNZFDHAQLOSO-UHFFFAOYSA-N	200.281	3.188	0	50	BGAA	
Clc1cnc(SCc2ccccc2)nc1	95099980	ZNMVGPFFXNRTKV-UHFFFAOYSA-N	236.727	3.422	0	50	BGAA	
CCOC(=O)c1cc(C)c(Cl)cc1Cl	197680041	WCLQKLZRHLJNMU-UHFFFAOYSA-N	233.094	3.479	0	50	BGAA	
CC[C@@H]1CCCCN1C[C@H]1CCO[C@H](C)C1	252516613	VEYNQOZLHHUDOQ-HZSPNIEDSA-N	225.376	3.066	0	50	BGAA	
O=C(c1csc2ccccc12)N1CC[C@H](F)C1	335459558	RWGHSUQNXZNXAG-VIFPVBQESA-N	249.310	3.085	0	50	BGAA	
c1cc(CN2C[C@H]3CC[C@H](C3)C2)c2cc[nH]c2c1	670462932	VDEYZQYWCYPDGR-BETUJISGSA-N	240.350	3.400	0	50	BGAA	
CCC(CC)NC(=O)c1ccc(Cl)cc1	30948	AZBLMJYMFNCMBU-UHFFFAOYSA-N	225.719	3.258	0	50	BGAA	
Cc1cc(C)nc(Oc2ccccc2F)n1	32610	FIMJTBILBQPIBS-UHFFFAOYSA-N	218.231	3.025	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)N1CCCCC1	95120	YVYZDFWBAZLEMT-UHFFFAOYSA-N	238.718	3.358	0	50	BGAA	biogenic
C[C@H]1CCC[C@H](C)N1C(=O)c1ccccc1	209925	WMDTVTLGXVIKJO-RYUDHWBXSA-N	217.312	3.090	0	50	BGAA	
COc1ccccc1NC(=O)c1cccc(C)c1	238356	GXJCAOXZMFQQLQ-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CCOc1ccc(NC(=O)C2CCCC2)cc1	383530	OEXLLWJUCFTKGT-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
CC(C)NC(=O)Nc1cccc2ccccc12	396392	RGFCKIINARLBEF-UHFFFAOYSA-N	228.295	3.370	0	50	BGAA	
CN(Cc1ccccc1)C(=O)NC1CCCCC1	401704	ZZTANJYSKUNJEO-UHFFFAOYSA-N	246.354	3.161	0	50	BGAA	
CCOc1cc2nc(C)sc2cc1C	402523	REISIKNOBLZGFZ-UHFFFAOYSA-N	207.298	3.312	0	50	BGAA	
CCCCNC(=O)c1cc2ccccc2s1	2470991	QDQGTLZCBBLLDA-UHFFFAOYSA-N	233.336	3.431	0	50	BGAA	
Cc1cccnc1NC(=O)Nc1ccccc1F	6276355	HQTANQIZELHXTN-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
Cc1ccccc1CC(=O)N[C@H](C)C(C)(C)C	6742041	ZBNIACOKKWIVAY-GFCCVEGCSA-N	233.355	3.088	0	50	BGAA	
Cc1cccc(C(=O)Nc2cc(N)ccc2C)c1	9264597	ICWQDRXFBRYVRL-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
FC(F)(F)c1cccc(C[C@@H]2CCCCN2)c1	32099156	ZPZRBRRCSKRQFL-LBPRGKRZSA-N	243.272	3.390	0	50	BGAA	
CNc1cc(OC)c(Cl)cc1Cl	38537093	PGNRGQDKBKNBJE-UHFFFAOYSA-N	206.072	3.044	0	50	BGAA	
CCC(CC)NC(=O)c1ccc(OC(C)C)cc1	41295371	JBOYGYSDJAZEOL-UHFFFAOYSA-N	249.354	3.392	0	50	BGAA	
CO/C=C/[C@@]12CC[C@@H](C1)C[C@]2(O)C1=CCCC1	43762779	UOAHRCQGLQLEQZ-HYXXDJOPSA-N	234.339	3.178	0	50	BGAA	
Cc1cc(C=O)cc(Cl)c1Br	85652787	JIXGZCFRNWIHBP-UHFFFAOYSA-N	233.492	3.223	0	50	BGAA	
Cc1ccc(CNCc2cc(F)ccc2C)cn1	129031215	SFDLMGLQFMTQPS-UHFFFAOYSA-N	244.313	3.127	0	50	BGAA	
O=C1CCc2c1ccc(Br)c2Cl	228736308	SAMXPEXISXZDGQ-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
CCCC[C@H](NCC)C(=O)c1ccccc1	238229473	CWNKMHIETKEBCA-ZDUSSCGKSA-N	219.328	3.038	0	50	BGAA	in-vitro
COc1ccc(/C=C/Br)cc1C	606287400	SSJULDNTHLNDFR-AATRIKPKSA-N	227.101	3.369	0	50	BGAA	
O=S(=O)(/C=C/c1ccccc1)c1ccccc1	155855	DNMCCXFLTURVLK-VAWYXSNFSA-N	244.315	3.131	0	50	BGAA	in-vitro
C[C@H](C(=O)O)c1ccc(Cc2ccccc2)cc1	395742	VDWRLRLDYGNXNT-LBPRGKRZSA-N	240.302	3.466	0	50	BGAA	
O[C@@H]1C[C@@H](c2ccccc2)OC12CCCCC2	4006077	IUFAYZPJUHEQNQ-UONOGXRCSA-N	232.323	3.212	0	50	BGAA	
COC(=O)C=C(c1ccccc1)c1ccccc1	4825423	HJCAYZRFYQQKOK-UHFFFAOYSA-N	238.286	3.291	0	50	BGAA	
CC[C@@H](C)NCc1ccc(Br)cc1	5907274	BBPAAXNPAVJXOD-SECBINFHSA-N	242.160	3.337	0	50	BGAA	
CCc1ccc(C(C)(C)C)cc1C(=O)O	7023235	BFPBZSHCAVMCNT-UHFFFAOYSA-N	206.285	3.245	0	50	BGAA	
CCOC(=O)c1cc2cc(C)c(C)cc2nc1C	16123645	PKWJEOYUFQXCBY-UHFFFAOYSA-N	243.306	3.337	0	50	BGAA	
CCC(C)(C)NCc1c(C)cc(C)c(CO)c1C	32576407	JGLYJCOWMFQQIO-UHFFFAOYSA-N	249.398	3.382	0	50	BGAA	
COc1ccc(C(=O)Cc2cccc(F)c2)cc1	37358428	PGKAVRBAZXUZIY-UHFFFAOYSA-N	244.265	3.260	0	50	BGAA	
FC(F)(Cl)C(F)(F)C(F)(F)Cl	63148360	JETINLPZEWINFD-UHFFFAOYSA-N	220.927	3.285	0	50	BGAA	
CCOc1cc(C)c(Br)cc1C	82600840	VDLWJTVHMJUXTL-UHFFFAOYSA-N	229.117	3.465	0	50	BGAA	
C=Cc1cc(F)cc(Br)c1	143658532	OIRAMMQQPWYJAO-UHFFFAOYSA-N	201.038	3.231	0	50	BGAA	
Cc1cc(C2CC2)nc(Nc2ccc(O)cc2)n1	211691680	LBDZGKRFRHHISM-UHFFFAOYSA-N	241.294	3.112	0	50	BGAA	
Cc1ccc([C@@H](C)N[C@H]2CC[C@H](O)CC2)s1	241262025	LARXAHZFOJQZRE-IJLUTSLNSA-N	239.384	3.011	0	50	BGAA	
O=C(O)CC1(c2cccc(C(F)(F)F)c2)CC1	1082221969	CODFRYFVLBCRGQ-UHFFFAOYSA-N	244.212	3.212	0	50	BGAA	
COc1ccc(C)cc1-c1ccnc(SC)n1	1239765291	NPKGPHQSHIADLN-UHFFFAOYSA-N	246.335	3.183	0	50	BGAA	
Oc1ccc(-c2nc(C3CCCCC3)no2)cc1	236205	LBNXWAWGSFVUPR-UHFFFAOYSA-N	244.294	3.490	0	50	BGAA	
CN(C)c1ccc([C@H](O)Cc2ccccc2)cc1	400133	ZXHOCPXISPWEFD-MRXNPFEDSA-N	241.334	3.029	0	50	BGAA	
O=C(O)c1cccc(-c2cc(F)cc(F)c2)c1	2513031	DVVDXEXZIAKVDO-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	
Cc1ccccc1C[C@H]1CCCCCN1	3734903	JLYLRNHRKUXOMK-CQSZACIVSA-N	203.329	3.070	0	50	BGAA	in-vitro
CSc1cccc(NC(=O)c2ccco2)c1	4363704	KFVCFNMFFCVKDG-UHFFFAOYSA-N	233.292	3.254	0	50	BGAA	
CC(C)COC(=S)Nc1ccccc1	8828801	ZWNZTWZQIHCOAM-UHFFFAOYSA-N	209.314	3.056	0	50	BGAA	
CC(C)Oc1ccc(-c2cccc(N)n2)cc1	38069456	ARCGQLDZMVNAOE-UHFFFAOYSA-N	228.295	3.118	0	50	BGAA	
CC(=O)c1cccc(Br)c1Cl	84526385	XNQYDIUKOZQSOM-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
COC(=O)c1ccc(-c2cccc(F)c2F)cc1	97757025	JMYAAMJUYSVQDD-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CC(C)N(C)Cc1cc(Cl)cs1	194300809	LPMAYZHZKKKXCA-UHFFFAOYSA-N	203.738	3.242	0	50	BGAA	
COc1cc(Cl)ccc1C(F)(F)F	238335732	KOKDRWBXALDALY-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	in-vitro
COc1ccccc1C1(N)CCC(F)(F)CC1	255190478	XLBPDDWXCNOIHR-UHFFFAOYSA-N	241.281	3.059	0	50	BGAA	
C=CC(=O)Nc1ncc(-c2cccc(C)c2)s1	1776000132	ADHGHNJRUPZTTK-UHFFFAOYSA-N	244.319	3.243	0	50	BGAA	
Cc1nc(-c2ccccc2F)nc(C)c1C	2356162833	MEDUBQUMBDFPQU-UHFFFAOYSA-N	216.259	3.208	0	50	BGAA	
C=Cc1c(SC)sc(C(=O)O)c1C	125665	YYBMYUZFQKZPKK-UHFFFAOYSA-N	214.311	3.120	0	50	BGAA	
CC(C)(C)C(=O)Nc1cccc(Cl)c1	407573	OGOQXGKPTWSHPS-UHFFFAOYSA-N	211.692	3.325	0	50	BGAA	
O=C1C[C@H](c2ccccc2)Nc2ccccc21	968516	PUCZUBFZQVSURB-CQSZACIVSA-N	223.275	3.426	0	50	BGAA	in-vitro
CN(C)C1(c2ccccc2)CCCCC1	3075600	FQPQJXVSQZUUQU-UHFFFAOYSA-N	203.329	3.408	0	50	BGAA	
Nc1nnc(CCCC2CCCCC2)s1	3716270	BWIONDLSQMDMCW-UHFFFAOYSA-N	225.361	3.023	0	50	BGAA	in-vitro
C[C@H]1CCCC[C@H]1NCc1ccc2c(c1)OCO2	5005407	PQENMMWEJCXONM-WCQYABFASA-N	247.338	3.084	0	50	BGAA	
Clc1cc2c(nn1)Nc1ccccc1S2	5390066	GUFFLUIBTAFRHG-UHFFFAOYSA-N	235.699	3.338	0	50	BGAA	
Cc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C)cc1	6729069	PFIVSZRTTPTWFN-ZFWWWQNUSA-N	245.366	3.232	0	50	BGAA	
Fc1ccc(C(F)(F)F)nc1Br	36533690	SJOPTDNFZAGRFI-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	in-vitro
NC[C@@H](CC(F)(F)F)c1ccc(Cl)cc1	71792187	MGTQWRSWRLZKOA-MRVPVSSYSA-N	237.652	3.335	0	50	BGAA	
COC(=O)c1ccc(F)cc1-c1ccccc1	74938289	OUVOEZHVKWAICR-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	in-vitro
C[Si](C)(C)CCC[C@H](O)C(F)(F)F	196738055	VXBJSEVJPWLJLL-ZETCQYMHSA-N	214.303	3.028	0	50	BGAA	
CCn1ccnc1CN1CCC[C@@H]2CCCC[C@H]21	230173338	AYNMZTFSKTWJBG-UONOGXRCSA-N	247.386	3.058	0	50	BGAA	
c1ccc(CN[C@H]2CC23CCCCC3)cc1	307062245	GDEWBGFZLYXYRZ-AWEZNQCLSA-N	215.340	3.499	0	50	BGAA	
Cc1ccc2oc(-c3ccco3)cc(=O)c2c1	41169	ICGGZHDGXCLLBG-UHFFFAOYSA-N	226.231	3.361	0	50	BGAA	biogenic
CCn1c(C(C)(C)C)nc2ccccc21	561408	AIXIJAGAHMWQAO-UHFFFAOYSA-N	202.301	3.354	0	50	BGAA	
COc1cc(Cl)cc(C(F)(F)F)c1	2527778	RZLMBMVNHVUJML-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	
CCCCCc1n[nH]c(CCCCC)c1N	3160252	MMMVCDGFGWAUNI-UHFFFAOYSA-N	223.364	3.457	0	50	BGAA	
Cc1ccc(CNc2ccc(C(=O)O)cc2)s1	4897210	OSBRIKZHHXMJMT-UHFFFAOYSA-N	247.319	3.367	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1ccc(OC(C)C)cc1	6743247	ARCKAPAXFRRXJD-GFCCVEGCSA-N	249.354	3.392	0	50	BGAA	
CC(=O)c1ccc(Cl)c(OC(F)(F)F)c1	12359247	YPQWPOKMQSSQAA-UHFFFAOYSA-N	238.592	3.441	0	50	BGAA	
Nc1ccc(C(=O)Nc2ccccc2)c(Cl)c1	20220936	PGIPGIJGCWPBEI-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
Nc1ccc2nc(-c3cccc(F)c3)oc2c1	31899421	ZMYNPRHHXAQZEN-UHFFFAOYSA-N	228.226	3.216	0	50	BGAA	
Fc1ccc(C(F)(F)F)c2cccnc12	38537384	ONWZHYLCPBGCAY-UHFFFAOYSA-N	215.149	3.393	0	50	BGAA	in-vitro
Fc1cc(F)c(Br)cc1Cl	63148592	DFZLCASDRZHHFT-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
Cn1ncc2cc(-c3ccnc4[nH]ccc34)ccc21	72431271	CFSVIMRFRRJRDH-UHFFFAOYSA-N	248.289	3.117	0	50	BGAA	
CNC(C)(C)[C@H](c1ccccc1)C(C)C	96027453	PDYKFILZCQFOON-ZDUSSCGKSA-N	205.345	3.424	0	50	BGAA	
Fc1ccc(N2CCCC2)cc1Br	160036947	KIOGDJLJRIMBMH-UHFFFAOYSA-N	244.107	3.188	0	50	BGAA	
C=CC(=O)Nc1cccc2c1ccn2C(F)F	1346091157	SLWCQUBJMGQOLG-UHFFFAOYSA-N	236.221	3.161	0	50	BGAA	
Cc1ccccc1OCC(=O)Nc1ccccc1	130112	IBOQCSHSHNNTKP-UHFFFAOYSA-N	241.290	3.013	0	50	BGAA	
CC(=O)[C@H](C)Oc1cccc(C(F)(F)F)c1	170470	RUTXCSFBVGGQFH-QMMMGPOBSA-N	232.201	3.062	0	50	BGAA	
Cc1c(-c2ccc(C=O)cc2)nc2ccccn12	337711	NFLQQTQJBSDHPL-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	
Cc1ccc(O)c(NC(=O)c2ccccc2C)c1	383645	LMKUNHCOHDDZHG-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
Cc1cccc(C)c1NC(=O)Nc1cccnc1	397984	PTLVKCZOPNVJOD-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
CCN(CC)C(=O)c1ccc(Cl)cc1Cl	1473370	GGOKDRJJUVBGNT-UHFFFAOYSA-N	246.137	3.475	0	50	BGAA	
Cc1cc(Cl)cc(Cl)c1C(=O)O	1684342	MHFZUPIEEGLIDF-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	
Nc1cc(Br)ccc1C(F)(F)F	2572207	OLFKWTOKOOPCTQ-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	in-vitro
O=C(O)/C(=C/c1ccccc1)c1ccc(F)cc1	11589187	JWCQGTTWZCINPN-GXDHUFHOSA-N	242.249	3.451	0	50	BGAA	
Cc1cc(-c2cccc3ccccc23)nc(N)n1	22126571	JXXAWQORKBZWRB-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
Nc1ccc(-c2noc(C3CCCCC3)n2)cc1	35696968	FFDKSGAHLMTNBL-UHFFFAOYSA-N	243.310	3.367	0	50	BGAA	
Cc1cc(Br)c(Cl)cc1C(=O)O	67802615	XNDXBQQSBUUNEU-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	in-vitro
C[C@@H]1CC(C)(C)Nc2ccc(C(=O)O)cc21	72417501	QVFOSMHNHGVRJT-MRVPVSSYSA-N	219.284	3.083	0	50	BGAA	
CCCc1n[nH]c2ccc(Br)cc12	74937910	JLJODUUBUCVUKP-UHFFFAOYSA-N	239.116	3.278	0	50	BGAA	in-vitro
COc1ccc(-c2ccc3cn[nH]c3c2)cc1	96164439	BXACBLWNAGNOGV-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	
Cc1cnc(-c2noc([C@H]3C[C@@H]3C3CC3)n2)s1	333270746	VYLPBVOCDPUFNL-BDAKNGLRSA-N	247.323	3.015	0	50	BGAA	
Clc1ccc2c(c1)C=CC[C@]21CCCNC1	1775964886	KEAKVWCOFYTFNV-CQSZACIVSA-N	233.742	3.378	0	50	BGAA	
CO[C@@H](C(=O)c1ccccc1)c1ccccc1	155150	BQZJOQXSCSZQPS-OAHLLOKOSA-N	226.275	3.257	0	50	BGAA	in-vitro
Cc1cc(C)cc(NC(=O)Nc2cccnc2)c1	158147	PUVLZHWVFMXMIM-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
COC(=O)C1CCC(c2ccccc2)CC1	208568	APZUMPUMIRTOSP-UHFFFAOYSA-N	218.296	3.133	0	50	BGAA	
COc1ccc(-c2cn3ccccc3n2)cc1F	356585	DWXBFQMGPILNRT-UHFFFAOYSA-N	242.253	3.149	0	50	BGAA	
COc1cccc(NC(=O)Oc2ccccc2)c1	395370	WVMWKYUMMAHSGU-UHFFFAOYSA-N	243.262	3.306	0	50	BGAA	
CC(=O)Nc1nc(-c2cc(C)ccc2C)cs1	442729	KKLSUTRDVOKALN-UHFFFAOYSA-N	246.335	3.385	0	50	BGAA	
COc1ccc2nccc(Br)c2c1	19721495	HRFFYKLVLCFCQG-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
FC(F)(F)c1cccc(C[C@@H]2CCCNC2)c1	32099136	NBJMMSXTOSDULN-NSHDSACASA-N	243.272	3.248	0	50	BGAA	
CCn1cc(C=O)c2cc(Cl)ccc21	34925319	HYIHWKIQLLCKGC-UHFFFAOYSA-N	207.660	3.127	0	50	BGAA	
Cc1cc(Cl)c2cc(F)cc(F)c2n1	36075625	AFFPXAYTKXVJTD-UHFFFAOYSA-N	213.614	3.475	0	50	BGAA	in-vitro
COc1ccc(C(=O)C[C@H]2CCCCC2=O)cc1	39194417	CABDOYSYTKMUPL-GFCCVEGCSA-N	246.306	3.027	0	50	BGAA	
CC[C@@H](CN1CCSCC1)c1ccccc1	65525937	WJMHVBNQGMVULE-ZDUSSCGKSA-N	235.396	3.229	0	50	BGAA	
CC(=O)Nc1ccc(-c2cnccc2C)cc1	65527571	ZRDNFESACBCQKM-UHFFFAOYSA-N	226.279	3.015	0	50	BGAA	
CCC/C=C/c1ccc2nc([C@H](C)O)[nH]c2c1	67472823	OPJXTHUYLQEEBV-PORFMDCZSA-N	230.311	3.430	0	50	BGAA	
CN[C@]1(c2ccccc2)CCCC[C@@H]1C	96026884	LCQYIUFPUWBTAD-GXTWGEPZSA-N	203.329	3.311	0	50	BGAA	
CN1CCCN=C1/C=C/c1ccc(Cl)s1	102295952	XNEKEHVDZIYYFU-GQCTYLIASA-N	240.759	3.149	0	50	BGAA	
Fc1ccc(-c2noc(C3CCC3)n2)cc1F	109538172	WSDOJAWBYOQZCW-UHFFFAOYSA-N	236.221	3.282	0	50	BGAA	
O=Cc1cc2cnc(Cl)nc2n1C1CCCC1	117728908	SOXVKQLLJZHYTL-UHFFFAOYSA-N	249.701	3.012	0	50	BGAA	
Clc1ccc2c(c1Br)NCCC2	217819740	YYGUMRFBBWACID-UHFFFAOYSA-N	246.535	3.461	0	50	BGAA	
Oc1cnc(-c2cc(Cl)ccc2Cl)cn1	308976249	QWAGDLHABBUQQI-UHFFFAOYSA-N	241.077	3.156	0	50	BGAA	
CCc1cccc(-c2ccc3c(c2)CCN3)n1	888095963	LBWYSIFFWIEQDK-UHFFFAOYSA-N	224.307	3.279	0	50	BGAA	
O=C1CCNc2ccc(-c3ccccc3)cc21	50535	RRNBLJTXLSDAQN-UHFFFAOYSA-N	223.275	3.352	0	50	BGAA	
C[C@H](CCc1ccccc1)NCc1ccco1	221132	KLUGZGBLGYALPG-CYBMUJFWSA-N	229.323	3.391	0	50	BGAA	
Cc1ccccc1Nc1ccccc1C(=O)O	2173765	WAEMHISTVIYWOY-UHFFFAOYSA-N	227.263	3.437	0	50	BGAA	
CC(=O)Cc1c(Cl)cccc1Cl	2518648	YAEXJQJVTXDTJM-UHFFFAOYSA-N	203.068	3.125	0	50	BGAA	in-vitro
O=C1c2ccccc2C2(CC2)c2ccccc21	3132902	QFFCRKFLDPXCGB-UHFFFAOYSA-N	220.271	3.311	0	50	BGAA	
CN1/C(=C/N=O)C(C)(C)c2ccccc21	6713441	BQVKFYICIQFBGO-DHZHZOJOSA-N	202.257	3.022	0	50	BGAA	
Cc1cc(NC(=O)Nc2cccc(C)c2C)no1	6741288	VMYKWHMOIDIEIF-UHFFFAOYSA-N	245.282	3.244	0	50	BGAA	
NC[C@H](CC(F)(F)F)c1ccc(Cl)cc1	71792186	MGTQWRSWRLZKOA-QMMMGPOBSA-N	237.652	3.335	0	50	BGAA	
CC(C)Oc1cc(F)cc(Br)c1	72204550	CXPGTGGYDNGRCO-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	in-vitro
CCCCn1nc(CCSC)nc1C(C)C	91288836	VTFWBYFMUBQFHF-UHFFFAOYSA-N	241.404	3.107	0	50	BGAA	
CCOc1ccc(N)c(NCc2ccccc2)c1	95217906	RVWAXXRNODUYGQ-UHFFFAOYSA-N	242.322	3.280	0	50	BGAA	in-vitro
C[C@@H]1C[C@H](Sc2cccc(O)c2)CCO1	335055024	PYHOMMXNKDIMTQ-BXKDBHETSA-N	224.325	3.052	0	50	BGAA	
CC(C)[C@@H]1C[C@@H](CNCc2ccccc2)CCO1	352722967	ONQNIRTUGAXORU-HOTGVXAUSA-N	247.382	3.227	0	50	BGAA	
Cc1ncc(-c2cc(F)c(F)c(F)c2)nc1C	426604280	KDBCTMYUHSYELR-UHFFFAOYSA-N	238.212	3.178	0	50	BGAA	
Clc1cccc(C=CC2=NCCS2)c1	1857795431	COXFYWNXHRNOAJ-UHFFFAOYSA-N	223.728	3.499	0	50	BGAA	
Nc1c(Cl)cc(Cl)c(F)c1Cl	1875332279	SFVGJHLZECLVCD-UHFFFAOYSA-N	214.454	3.368	0	50	BGAA	
CC(=O)c1cnn(-c2ccc(Cl)cc2)c1C	141539	RPOVOKHEMTUHSZ-UHFFFAOYSA-N	234.686	3.037	0	50	BGAA	
Cc1ccc(-c2csc(N)n2)cc1C	145732	YAHPYUWCTUAXGT-UHFFFAOYSA-N	204.298	3.009	0	50	BGAA	in-vitro
Nc1ccccc1-c1cc2ccccc2[nH]1	154770	IAKRGXQCKYFJCB-UHFFFAOYSA-N	208.264	3.417	0	50	BGAA	
C[C@@H](NC(=O)C1CCCC1)c1ccccc1	362586	KBHMMZUSFZDWII-LLVKDONJSA-N	217.312	3.054	0	50	BGAA	
CC[n+]1ccc(/C=C/c2ccccc2OC)cc1	396335	KNGPTYFGEWQIBW-CMDGGOBGSA-N	240.326	3.173	0	50	BGAA	
CC(=O)Oc1ccc(Cl)cc1Br	5166840	ZJIVOTRCIJQFNJ-UHFFFAOYSA-N	249.491	3.028	0	50	BGAA	
Cc1cccc(Oc2ccc(C(=O)O)cc2)c1	5942977	XBZMSARMROSBTE-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)OC(C)(C)C)c1	7610485	VZMVGGAQYQVROP-UHFFFAOYSA-N	207.273	3.342	0	50	BGAA	
CC[C@H](O)c1ccc(C(F)(F)F)cc1	8698401	DSPWVWRWAPFFNC-VIFPVBQESA-N	204.191	3.149	0	50	BGAA	in-vitro
Fc1cc(S)cc(F)c1Br	36532772	NTCHRUDPBWXXNQ-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CC(C)(C)O[C@H]1CCC=C1Br	43199125	WHAWMMSALJVJSZ-QMMMGPOBSA-N	219.122	3.243	0	50	BGAA	
COc1cc(C(=O)O)cc(-c2ccc(C)cc2)c1	65349492	DBBCPSYRQOBTOC-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
COC(=O)c1cc(-c2ccc(C(C)C)cc2)on1	90513789	HWLJIBJSSAAPAJ-UHFFFAOYSA-N	245.278	3.252	0	50	BGAA	in-vitro
Cc1cc(OCC(=N)N)c(C(C)C)cc1Cl	96026538	WYYDBYKVLZQLGF-UHFFFAOYSA-N	240.734	3.087	0	50	BGAA	
Cc1n[nH]cc1-c1ccc(C(=O)C2CC2)cc1F	97301328	FXJPTJYSCKBMSF-UHFFFAOYSA-N	244.269	3.117	0	50	BGAA	
CCOC(=O)/C=C(\C)Nc1ccc(Cl)cc1	100072250	XZLWEBJIBFUTCP-CMDGGOBGSA-N	239.702	3.219	0	50	BGAA	
C[C@H](CC1CCC1)NCc1ccccc1	132061128	GPIRAEFDRHWQHT-GFCCVEGCSA-N	203.329	3.355	0	50	BGAA	
O=N/C=C1/C=CC=CN1Cc1ccccc1	142236949	XUFIVYXNMKNXSC-RAXLEYEMSA-N	212.252	3.180	0	50	BGAA	
CC(=O)N1N=C(C)C[C@@H]1[C@@H]1[C@@H](C)C=C(C)C[C@H]1C	239174071	PFFGFWMMIMDKRY-RBDSIQFVSA-N	248.370	3.222	0	50	BGAA	
Brc1cccc(Br)c1	388499	JSRLURSZEMLAFO-UHFFFAOYSA-N	235.906	3.212	0	50	BGAA	in-vitro
CC(C)N(Cc1ccccc1)C(=O)C(C)(C)C	860086	RJKCKKDSSSRYCB-UHFFFAOYSA-N	233.355	3.470	0	50	BGAA	biogenic,in-vitro
Nc1ccc(Oc2ccc(Cl)cc2)c(CO)c1	8729963	XCUAABHZMCGNGG-UHFFFAOYSA-N	249.697	3.207	0	50	BGAA	
O=C(O)c1cc(F)cc(-c2ccccc2F)c1	47204152	OQDFPGCBAJRMTJ-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
Cc1cc(F)cc(Br)c1F	81991120	JNNPMOZVTOOLEO-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
CC(C)Oc1ncc(Cl)cc1Cl	238165761	CNVKZXVUPQCIKM-UHFFFAOYSA-N	206.072	3.176	0	50	BGAA	
c1ccc([C@H]2CCCCN2Cc2c[nH]cn2)cc1	280325876	YZPPVTLPTTVYDE-OAHLLOKOSA-N	241.338	3.137	0	50	BGAA	
O=c1cc(-c2ccccc2)oc2ccccc12	57674	VHBFFQKBGNRLFZ-UHFFFAOYSA-N	222.243	3.460	0	50	BGAA	endogenous,world
COc1ccc(Sc2ccccc2CO)cc1	332421	OCLOSVWSMAAMMF-UHFFFAOYSA-N	246.331	3.339	0	50	BGAA	
CCCC(=O)Nc1cc(Cl)ccc1C	361782	ODNNNBHENXCYOD-UHFFFAOYSA-N	211.692	3.387	0	50	BGAA	
Fc1c(F)c(F)c(-n2cccc2)c(F)c1F	2522201	JJWDYHICSOUNST-UHFFFAOYSA-N	233.139	3.173	0	50	BGAA	
Cc1cccc(C(=O)Nc2ncc(C)s2)c1	7007382	LFBLHJKUYFJZRS-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1ccc(OCC)c(C)c1	13582408	SUELNOFTIHZYBD-GFCCVEGCSA-N	249.354	3.312	0	50	BGAA	
CC(C)(C)c1ccc(Cl)c(C(=O)O)c1	34724140	AQGAOYCHKNUAJK-UHFFFAOYSA-N	212.676	3.336	0	50	BGAA	
CN(C)[C@H](C(=O)c1ccccc1)c1ccccc1	95860020	FFXYYGZTOUQTBO-HNNXBMFYSA-N	239.318	3.172	0	50	BGAA	
Fc1cc(Br)c(C(F)(F)F)cn1	238567823	ZWUGFMPVPTUHSW-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CC1=CC[C@H]2CO[C@H](c3ccccn3)[C@H]1C2	239433545	XYCSKZKGWCWMMW-DYEKYZERSA-N	215.296	3.125	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1C[C@@H](C)C[C@H](C)N1	757208892	FBEDMYKQEVHCLX-ZSGNIPIJSA-N	243.354	3.320	0	50	BGAA	
C=CC(=O)N[C@H]1CCC[C@H](c2ccccc2)CC1	1336682499	ULUPUCGCWOYMOG-GJZGRUSLSA-N	243.350	3.405	0	50	BGAA	
FC1(F)[C@@H]2CC(N3CCc4ccccc4C3)C[C@H]21	1875298289	VXSPVNMCMNIODJ-ZIAGYGMSSA-N	249.304	3.088	0	50	BGAA	
O=C1N(c2ccccc2)C(=O)N1c1ccccc1	398145	ZDIXQAFFNKGCNG-UHFFFAOYSA-N	238.246	3.253	0	50	BGAA	
Brc1ccccc1[C@H]1CCCCN1	3734448	BZQYYLIFPSPOKO-LLVKDONJSA-N	240.144	3.264	0	50	BGAA	in-vitro
CCOc1ccc([C@@H](N)c2ccccc2)cc1	4312905	DZZLERCMSWAOHE-HNNXBMFYSA-N	227.307	3.133	0	50	BGAA	
CCOC(=O)c1oc2c(F)cccc2c1C	4868908	INVABVIMLKVJDT-UHFFFAOYSA-N	222.215	3.057	0	50	BGAA	
Fc1cccc(CNc2ccc3[nH]ncc3c2)c1	23283261	CFDMWPFNRZQNPE-UHFFFAOYSA-N	241.269	3.314	0	50	BGAA	
C[C@H](Cc1ccccn1)N(C)Cc1ccsc1	65526054	NFTBOLYZXHWDDH-GFCCVEGCSA-N	246.379	3.206	0	50	BGAA	
C[C@@H](N)c1ccc(C(F)(F)F)c(Cl)c1	95668636	FRTKYTPNAHAITD-RXMQYKEDSA-N	223.625	3.379	0	50	BGAA	
O=C1CCCc2cc(Br)c(F)cc21	238539628	FXBNSHLDYXJLEZ-UHFFFAOYSA-N	243.075	3.107	0	50	BGAA	
c1csc(-c2csc([C@H]3CCCO3)n2)n1	278242292	LNGJKVRNWIQQTL-MRVPVSSYSA-N	238.337	3.118	0	50	BGAA	
CC1=NO[C@@H](CN[C@@H](c2ccccc2)C(C)C)C1	1616178104	WIXBVZYZYMUIOZ-HUUCEWRRSA-N	246.354	3.138	0	50	BGAA	
C1=CC[C@H](c2nccn2Cc2ccncc2)CC1	1875249062	BROHLPXMQAMHHW-AWEZNQCLSA-N	239.322	3.150	0	50	BGAA	
CCc1cccc(C)c1NC(=O)NCC(C)C	397053	VPBJBCYFGBLULR-UHFFFAOYSA-N	234.343	3.335	0	50	BGAA	
CC[C@H](C)Cn1c(C)nc2ccccc21	608792	RVDUEUQZKRGART-JTQLQIEISA-N	202.301	3.391	0	50	BGAA	
CCNCc1ccccc1OCc1ccccc1	3159994	SCOWKNXYFQEIPG-UHFFFAOYSA-N	241.334	3.375	0	50	BGAA	
COc1ccc(CCN[C@H]2CC[C@@H](C)C2)cc1	4986903	TYKCGNAKDVLBTF-OCCSQVGLSA-N	233.355	3.016	0	50	BGAA	
COc1ccccc1-c1ccc(O)cc1	13840562	QDLRJEPPCTUXSM-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	in-vitro
O=Cc1ccc(C(F)(F)F)c(Cl)c1	21304558	UTSBZTCYCRVHCK-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
Clc1noc2cc(Br)ccc12	51951616	OQLUUNXXNDSROP-UHFFFAOYSA-N	232.464	3.244	0	50	BGAA	in-vitro
O=C(c1ccco1)N1CC[C@H]1c1ccc(F)cc1	67771866	FPEKGMZQIBYNRM-LBPRGKRZSA-N	245.253	3.006	0	50	BGAA	
Cc1nc2ccccc2cc1NC(=O)CC1CC1	225713725	WKXWFVZUIKNTDO-UHFFFAOYSA-N	240.306	3.282	0	50	BGAA	
COc1ccccc1CCN[C@H]1C[C@H]2CC[C@H]1C2	248247655	NCLWUZAGXIGDOM-QEJZJMRPSA-N	245.366	3.016	0	50	BGAA	
O=C1OC[C@@H](SCc2ccc(Cl)cc2)O1	408516311	BCSKUPNVKGVIQK-SECBINFHSA-N	244.699	3.066	0	50	BGAA	
COc1ccc(NC(=O)OC(C)(C)C)cc1	111416	DTJDZTUATTYLBB-UHFFFAOYSA-N	223.272	3.042	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)c1cccc(F)c1	344797	NNWYFHRKIZMMIN-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CC(=O)[C@H](C)Oc1ccc(Cl)cc1C	3134324	BKRVWLKXKJUFJJ-VIFPVBQESA-N	212.676	3.005	0	50	BGAA	
COc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1	8972933	KWCYTQAQZKWCNE-UHFFFAOYSA-N	242.200	3.104	0	50	BGAA	in-vitro
CC[C@@H](C)NC(=O)Nc1cccc(SC)c1	13320055	UACBTFADEFYGGC-SECBINFHSA-N	238.356	3.329	0	50	BGAA	
c1ccc2c(c1)CC(NC1CCCCCC1)C2	32534828	IHFAIJFDUHAABN-UHFFFAOYSA-N	229.367	3.466	0	50	BGAA	
Cc1cnc(C)c(-c2ccc3[nH]ccc3c2)n1	32580975	FLMOOAOORCMLQG-UHFFFAOYSA-N	223.279	3.242	0	50	BGAA	
Oc1ccc(N2CCCCC2)c(Cl)c1	215157149	QXUAIWPTXYHTNP-UHFFFAOYSA-N	211.692	3.036	0	50	BGAA	
CC(C)C[C@H](NCC(C(C)C)C(C)C)C(=O)O	261565353	YFCVLVOYGGDVEM-ZDUSSCGKSA-N	243.391	3.004	0	50	BGAA	
Cc1sc(N)nc1C1(c2ccccc2)CC1	289970345	QYBSYZFJCLWCJG-UHFFFAOYSA-N	230.336	3.114	0	50	BGAA	
CC[C@H](Nc1nc(C)cc(C)n1)c1ccncc1	301394660	KQFZIMPBXLKYOF-ZDUSSCGKSA-N	242.326	3.052	0	50	BGAA	
Cc1nn(-c2ccccc2)c2nc(Cl)ccc12	670426134	DCSJJQFTEBZAQJ-UHFFFAOYSA-N	243.697	3.382	0	50	BGAA	
O=C1CC2(CCCCC2)Oc2ccc(O)cc21	259737	MWAGQRLEBNHEKW-UHFFFAOYSA-N	232.279	3.060	0	50	BGAA	biogenic,in-vitro
CCOc1cc(CN2CCCCC2)ccc1OC	278612	FRKALFGAVVBKKL-UHFFFAOYSA-N	249.354	3.080	0	50	BGAA	
c1ccc2c(c1)Nc1ncccc1S2	1847606	UKDZROJJLPDLDO-UHFFFAOYSA-N	200.266	3.290	0	50	BGAA	in-vitro
CCC(F)(F)C(F)(F)Br	2555159	CKZRVAPVPPFLQX-UHFFFAOYSA-N	208.980	3.019	0	50	BGAA	in-vitro
FC(F)(F)c1ccc2nc(Cl)cnc2c1	4105792	PKOWPBJJCLWQMY-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	
CCc1ccc([C@@H](N)c2cccc(F)c2)cc1	4206137	XSLJZWFJXPANEX-OAHLLOKOSA-N	229.298	3.436	0	50	BGAA	
CC(C)Oc1cccc(C(=O)C(F)(F)F)c1	4267211	GRGNWXUHGZOLKF-UHFFFAOYSA-N	232.201	3.219	0	50	BGAA	
COc1ccc(C=O)cc1COc1ccccc1	4268139	JBUFQGJMFDQJEI-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	
COc1ccc(C)cc1NC(=O)NC1CCCC1	6742170	LAXGIXYXCBAMTJ-UHFFFAOYSA-N	248.326	3.068	0	50	BGAA	
O=C(CCc1ccccc1F)Nc1ccccc1	8266784	FPXHAEQVRVUYJH-UHFFFAOYSA-N	243.281	3.397	0	50	BGAA	
COC(=O)c1c(O)c2ccccc2c2occc12	14492390	AFMYCYWCHKTNNE-UHFFFAOYSA-N	242.230	3.078	0	50	BGAA	biogenic,in-vitro
BrC1=NO[C@H](C2CCCCC2)C1	30678662	ZLKOMDURKIDQEB-QMMMGPOBSA-N	232.121	3.064	0	50	BGAA	in-vitro
COC(=O)C(C)(C)c1cccc(C(F)(F)F)c1	32223068	DGCXNLNTJATMRV-UHFFFAOYSA-N	246.228	3.156	0	50	BGAA	
Brc1ccc(C2=CCOCC2)cc1	95495557	QXESULAHCHRLFQ-UHFFFAOYSA-N	239.112	3.253	0	50	BGAA	in-vitro
Cc1ccc(S[C@H](C)C(=O)NC2CCC2)cc1	337323744	SOLCUIPUAWDPFY-LLVKDONJSA-N	249.379	3.144	0	50	BGAA	
Cc1ccc2ncc(-c3cncc(N)c3)cc2c1	426478017	NBULNZQLYGUSQU-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2[nH]c(C)nc2C)c1	426635574	VKJJRYQURGAURR-JTQLQIEISA-N	230.311	3.401	0	50	BGAA	
Cc1cc2cc(C(=O)N[C@H]3C=CCC3)ccc2o1	1857682300	IJONNNOOBKMDHY-ZDUSSCGKSA-N	241.290	3.190	0	50	BGAA	
O=Cc1c(C(F)(F)F)ccc(Cl)c1F	157236	WTVMLHFHFBCCBP-UHFFFAOYSA-N	226.556	3.310	0	50	BGAA	in-vitro
O=Cc1ccccc1Oc1ccc(F)cc1	167668	RZJFZXRBXCJPTA-UHFFFAOYSA-N	216.211	3.431	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)Cc1ccc(F)cc1	383475	PJVMIAYHAHTJQA-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
Cc1c(C(=O)C(C)C)n(C)c2ccccc12	443317	SZUISCJCWHXUGT-UHFFFAOYSA-N	215.296	3.325	0	50	BGAA	
COc1cccc(-c2noc(-c3ccco3)n2)c1	2441564	STFSNYDXDXLKRA-UHFFFAOYSA-N	242.234	3.005	0	50	BGAA	
CCCCOc1ccc2cc(C(=O)O)[nH]c2c1	3748721	CXDXQPSXSRFSQF-UHFFFAOYSA-N	233.267	3.045	0	50	BGAA	
OCCn1c2ccccc2c2cc(Cl)ccc21	3880656	CSPRAISVRFDZFJ-UHFFFAOYSA-N	245.709	3.440	0	50	BGAA	
CC(=O)n1cc(Br)c2ccccc21	48546937	AYFPZXVRXRMCQX-UHFFFAOYSA-N	238.084	3.064	0	50	BGAA	in-vitro
Cc1nc(Cl)ccc1-c1cccc(C(=O)O)c1	74937823	XJSGTLSFLZGTPN-UHFFFAOYSA-N	247.681	3.409	0	50	BGAA	in-vitro
CC[C@]1(CO)CCCN1Cc1cccc(C)c1C	170089026	IYVYRXHITOJRHB-MRXNPFEDSA-N	247.382	3.040	0	50	BGAA	
Fc1ccc2c(Cl)nc(C3CC3)nc2c1	236271196	AZIMXGTTWJLAIM-UHFFFAOYSA-N	222.650	3.300	0	50	BGAA	
Cc1c(Cl)cccc1CNC(=O)[C@@H]1CC12CC2	426494305	NTHLMRYGVVTHRD-NSHDSACASA-N	249.741	3.065	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1C[C@H](C)[C@@H]1C	585086441	BATBWVHBOFOGDH-RYUDHWBXSA-N	232.327	3.176	0	50	BGAA	
Nc1cc(-c2cnc3cc(F)ccc3c2)ccn1	1241162820	IOMFPJYJBKXXIZ-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
C=COC(=O)c1ccc(C(C)(C)C)cc1	56842	ZLHVSEPPILCZHH-UHFFFAOYSA-N	204.269	3.284	0	50	BGAA	in-vitro
CC1(C)CC[C@@]2(C)CCC(C)(C)NC2=N1	57627	OEOPGVPCZRQSMQ-UHFFFAOYSA-N	208.349	3.126	0	50	BGAA	biogenic
O=Cc1ccc(OCc2ccc(F)cc2)cc1	153736	QGULWBQOCMQNFD-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
O=C(c1cccc(F)c1)c1cccc(F)c1	155273	UBJLBNGSWJBOGI-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	in-vitro
CC(C)N(C(=O)c1cccs1)C(C)C	293405	SQVCNHFYYTXJQZ-UHFFFAOYSA-N	211.330	3.007	0	50	BGAA	
Cc1ccnc(NC(=O)c2ccccc2Cl)c1	361817	ACRMCMNXOLECBG-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
Cc1cc(C=O)c(C)n1C1CCCCC1	450345	HRRUKGPVBSKOJH-UHFFFAOYSA-N	205.301	3.423	0	50	BGAA	in-vitro
CC(=O)SC(C)(C)[C@H]1CC[C@H](C)CC1=O	2583437	AMXPURQVAMENCC-WPRPVWTQSA-N	228.357	3.050	0	50	BGAA	endogenous,in-man
COc1ccc(CNC(C)C)c2ccccc12	4746111	LHCUVNNACFVGMN-UHFFFAOYSA-N	229.323	3.346	0	50	BGAA	in-vitro
O=C(O)Cc1coc2c1ccc1ccccc12	8520490	QWABHAOIDUZYRA-UHFFFAOYSA-N	226.231	3.213	0	50	BGAA	
CC[C@H](C)NC(=O)CCc1ccccc1Cl	10458369	JLTYDYYKPCZLSK-JTQLQIEISA-N	239.746	3.187	0	50	BGAA	
C[C@@H](Sc1ccccn1)c1nc(C2CC2)no1	20668130	ZJHHVIBKMGDVPU-MRVPVSSYSA-N	247.323	3.195	0	50	BGAA	
CCOC(=O)c1cc2ccccc2nc1Cl	26896761	RDZRGYUIVNLMIC-UHFFFAOYSA-N	235.670	3.065	0	50	BGAA	
Clc1cccc(Cl)c1-n1cccn1	65337186	ISWDZQBZQFCRIN-UHFFFAOYSA-N	213.067	3.179	0	50	BGAA	in-vitro
NC(=O)c1ccccc1-c1cnc2ccccc2c1	65372322	IYDMPURGQXOPPS-UHFFFAOYSA-N	248.285	3.001	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)C(C)C)c(C)c1	70250892	WIUJDGDDMIXLOT-GFCCVEGCSA-N	219.328	3.137	0	50	BGAA	
C[C@@H](CO)N[C@H]1CCCC[C@H]1C1=CCCCC1	127561087	DWZCEGNIGTVBDP-QEJZJMRPSA-N	237.387	3.016	0	50	BGAA	
CC(C)(c1ccc(C=O)cc1)C(F)(F)F	144949235	KPWPJILIJSVIEQ-UHFFFAOYSA-N	216.202	3.339	0	50	BGAA	
O=C(c1ccccc1F)N1CCc2ccccc21	304526	DFZSOACCBKHANP-UHFFFAOYSA-N	241.265	3.029	0	50	BGAA	
CCc1cc(C(=O)NCc2ccccc2)cs1	1054394	IBNHAQLNEIMHMT-UHFFFAOYSA-N	245.347	3.241	0	50	BGAA	
O=C(O)c1ccc(-c2ccccc2)c(F)c1	2548304	PFKITESTTSWHMP-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
NCC[C@@H](Cc1ccccc1)c1ccccc1	43559422	XKCBWDLCZBXXSL-INIZCTEOSA-N	225.335	3.362	0	50	BGAA	
CN1CCCC[C@@H]1c1cc2ccccc2[nH]1	44126120	PUPXFZBRONUIFP-CQSZACIVSA-N	214.312	3.325	0	50	BGAA	
CCOC(=O)c1csc(-c2cccc(C)c2)n1	44136779	LQCPJZNCZBKRBX-UHFFFAOYSA-N	247.319	3.295	0	50	BGAA	in-vitro
CCCCOc1ccc(Br)nc1	115254438	XNOZIGCXKARPGE-UHFFFAOYSA-N	230.105	3.023	0	50	BGAA	
Cc1ccc2ccc(Br)c(F)c2n1	144540614	MLJLUBLVRXPCKT-UHFFFAOYSA-N	240.075	3.445	0	50	BGAA	
Cc1c(Cl)cc(Br)cc1C(=O)O	162581218	FMMKWJSZMUYJAR-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	
Cc1nnc([C@H](C)N2C[C@@H](C)c3ccccc32)o1	229520686	NKWVIMOWJNCCEE-ZJUUUORDSA-N	243.310	3.063	0	50	BGAA	
FC(F)(F)c1cccc2c(Cl)n[nH]c12	238574225	ZSVXXKIBOCSPGX-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	
C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C1	239203310	SCWAHLJGAQTDDE-VHDGCEQUSA-N	243.350	3.049	0	50	BGAA	
O=C(O)[C@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32	257358441	UMJDXPHIAPUWGB-ZVEBMELBSA-N	248.281	3.098	0	50	BGAA	
Oc1c(Cl)ccc(OC(F)F)c1Cl	263623303	GILYCNKTFNARSB-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
CCC1(C)CCN(C(=O)[C@]23CCC[C@@H]2C3)CC1	335189949	AXWGNUOOTQUOMH-DOMZBBRYSA-N	235.371	3.215	0	50	BGAA	
CCNc1nc2cc(Cl)ccc2s1	77409	RWENKNLXLIFVIP-UHFFFAOYSA-N	212.705	3.382	0	50	BGAA	in-vitro
c1ccc(CN[C@@H]2CCCc3ccccc32)nc1	227855	HGPHGLOWUWJAPV-MRXNPFEDSA-N	238.334	3.249	0	50	BGAA	
CCOC(=O)c1cnc2ccc(C)cc2c1Cl	1391839	GSIDXMVQPNWNIR-UHFFFAOYSA-N	249.697	3.373	0	50	BGAA	in-vitro
CCCOc1ccc(-c2csc(N)n2)cc1	1871151	CLPZNBPIUKEMTL-UHFFFAOYSA-N	234.324	3.181	0	50	BGAA	
C[C@@H]1CC[C@H]2[C@@H](N1)c1ccccc1OC2(C)C	2137998	JKYWBXHMWFQXCG-OSMZGAPFSA-N	231.339	3.287	0	50	BGAA	
CC(=O)c1cc(Br)ccc1Cl	2583725	FVJMYXDLWAEIKP-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
Cc1c[nH]c(=S)nc1-c1ccccc1	8732311	AFFDJFDQEJGFDN-UHFFFAOYSA-N	202.282	3.115	0	50	BGAA	
CC(C)(C)c1cc(Cc2ccccc2)n[nH]1	18137380	WQKMACGRTRICNN-UHFFFAOYSA-N	214.312	3.298	0	50	BGAA	
CC[n+]1ccc(/C=C/c2ccccc2)cc1	19799724	KQIKBCIUKCVUAH-CMDGGOBGSA-N	210.300	3.164	0	50	BGAA	
O=C1C=C(Oc2ccccc2)C2(CCCCC2)O1	22015455	WXJFUBCWPUPQPP-UHFFFAOYSA-N	244.290	3.209	0	50	BGAA	
CC(=O)CCc1ccc(Cl)cc1F	87264667	YPMJYPOEWFTHPY-UHFFFAOYSA-N	200.640	3.001	0	50	BGAA	
CCCCNC[C@H]1C[C@@H](C)c2ccccc2C1=O	96026835	DMLSMEWRMJQNOO-CHWSQXEVSA-N	245.366	3.382	0	50	BGAA	
O=C1Nc2ccc(F)cc2/C1=C\c1ccsc1	131220920	ZKEFDQKGDMEJLH-VZUCSPMQSA-N	245.278	3.380	0	50	BGAA	
CC(=O)NC(C)(C)c1cc(Cl)cc(Cl)c1	169806306	CNIGDEXRWSJDTC-UHFFFAOYSA-N	246.137	3.365	0	50	BGAA	
Cc1ccc(C[C@H](C)N(C)CCC(C)(C)O)cc1	170653742	KYFVJLUHGWFLPZ-AWEZNQCLSA-N	249.398	3.019	0	50	BGAA	
C[C@@H](CCC1CC1)Nc1cccc(CO)c1	191944917	BNSMOGJRKAQDJQ-NSHDSACASA-N	219.328	3.170	0	50	BGAA	
C[C@@]1(C(=O)N2CCCCCCC2)C[C@@H]2C[C@@H]2C1	585085851	DUWCBDXLALIIGH-NHAGDIPZSA-N	235.371	3.215	0	50	BGAA	
C=CC(=O)N1CCc2ccc(Cl)cc2[C@@H](C)C1	863971172	HRSDVYGZIXNBEH-JTQLQIEISA-N	249.741	3.014	0	50	BGAA	
CCC(=O)Nc1cccc(Br)c1C	409517	BQGFNBXQESCRQL-UHFFFAOYSA-N	242.116	3.106	0	50	BGAA	
O=C(Cc1ccc(F)cc1)Nc1cccc(F)c1	439282	DFWGXHPIBPWJIO-UHFFFAOYSA-N	247.244	3.146	0	50	BGAA	
C/C(=C\c1ccccc1)C(=O)Nc1cc(C)on1	465066	SQXZHUXAQCAIPK-CSKARUKUSA-N	242.278	3.025	0	50	BGAA	
CCCOC(=O)Nc1cccc(C)c1C	2172117	FPSNSUQONVPXKR-UHFFFAOYSA-N	207.273	3.262	0	50	BGAA	
CC(=O)N[C@H]1CCCC[C@H]1Sc1ccccc1	2848298	ACBXUZBGFUCFHW-UONOGXRCSA-N	249.379	3.226	0	50	BGAA	
Nc1cc(-c2ccc(Cl)c(Cl)c2)no1	3715892	VGDBBBFWDYLZRY-UHFFFAOYSA-N	229.066	3.231	0	50	BGAA	in-vitro
CCCCCCC(=O)N1CCCC[C@H]1C	5460725	JUCGRNHBTMFVST-GFCCVEGCSA-N	211.349	3.358	0	50	BGAA	
O=C(Nc1cccnc1)Nc1ccc(F)cc1F	12549878	QERJVROKZJTJGG-UHFFFAOYSA-N	249.220	3.004	0	50	BGAA	
Fc1nc(C(F)(F)F)ccc1Br	36533688	PUNDNGJEKNNZCO-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	in-vitro
NCC(F)(F)c1ccc(Cl)cc1Cl	131742155	KUNVGSUBZXBJJZ-UHFFFAOYSA-N	226.053	3.044	0	50	BGAA	
O=C(Cc1ccc(Cl)cc1)N[C@@H]1C=CCCC1	196504609	BTMBDPXYBLDSNU-CYBMUJFWSA-N	249.741	3.107	0	50	BGAA	
CC(C)=CCC[C@H](C)NC[C@H]1CCCC[C@H]1O	200530148	CFGUSOPSPICELP-RRFJBIMHSA-N	239.403	3.262	0	50	BGAA	
FC(F)(F)c1ccc(Cl)c(S)n1	238571336	QDHZIBGAMSPHCL-UHFFFAOYSA-N	213.611	3.043	0	50	BGAA	
CCOc1cncc(-c2cccc(C)c2C)n1	1239711787	MPRUCHXOCXJKIA-UHFFFAOYSA-N	228.295	3.159	0	50	BGAA	
C[C@H](NC(=O)/C=C/c1ccco1)c1ccccc1	184726	OFKYQEVKAKAWCT-VMPCVLLUSA-N	241.290	3.170	0	50	BGAA	
C[C@H]1CCC[C@H](C)N1C(=O)Nc1ccccc1	237339	AIGYUJJIEHGDPO-RYUDHWBXSA-N	232.327	3.481	0	50	BGAA	
O=C(O)CCCc1ccc2c3c(cccc13)CC2	330265	IDYVPDNJQIGRNJ-UHFFFAOYSA-N	240.302	3.346	0	50	BGAA	
Oc1cccc2ccc(Nc3ccccn3)nc12	1233324	OOARQNZKJHFUSB-UHFFFAOYSA-N	237.262	3.079	0	50	BGAA	
CC(=O)OCC[C@H](C)CCCC(C)C	2035304	XFPXWDJICXBWRU-LLVKDONJSA-N	200.322	3.402	0	50	BGAA	endogenous,in-man
O=C(O)c1ccc(-c2ccsc2)s1	2458573	NUZWQKDXTFZYAX-UHFFFAOYSA-N	210.279	3.175	0	50	BGAA	
CC(=O)c1ccc(-c2cccc(C(=O)O)c2)cc1	2525598	VKTBJVVRKRBWDI-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	in-vitro
Cc1ccc(N)cc1OCc1ccccc1	2540474	TZWRMTAIHRIAFC-UHFFFAOYSA-N	213.280	3.156	0	50	BGAA	in-vitro
CCCCOc1ccc2nc(N)sc2c1	4575525	UZJMSFZHPMSAHI-UHFFFAOYSA-N	222.313	3.057	0	50	BGAA	
CC[C@@H](C)NCc1ccccc1Br	10473016	OZEDSYIDDNQUQL-SECBINFHSA-N	242.160	3.337	0	50	BGAA	in-vitro
O=C(O)c1ccc(CNC2CCCCCC2)cc1	10475315	DNSFRUCIUIAYHK-UHFFFAOYSA-N	247.338	3.197	0	50	BGAA	
CCCNC(=O)c1cc(-c2ccccc2)oc1C	11667572	JHQHLBMBGMGWHT-UHFFFAOYSA-N	243.306	3.395	0	50	BGAA	
Nc1cc2cccc(Br)c2s1	38858855	WRWOLPUNYIVAGT-UHFFFAOYSA-N	228.114	3.246	0	50	BGAA	
CCC[C@H](C)n1ncc2[nH]c(CC(C)C)nc21	63833565	JZLUVUGTMGFMBH-JTQLQIEISA-N	234.347	3.319	0	50	BGAA	
NCC[C@@H](COc1ccccc1)c1ccccc1	76623799	JNOJWGXXUAHIHL-HNNXBMFYSA-N	241.334	3.198	0	50	BGAA	
CCC(C)(C)CNCc1cccnc1Cl	192352752	JHAZIQDAGHHJLD-UHFFFAOYSA-N	226.751	3.261	0	50	BGAA	
N=S1(=O)c2ccccc2Nc2ccccc21	685944079	GBSKERZKTPNLON-UHFFFAOYSA-N	230.292	3.208	0	50	BGAA	
COc1ccc(NC(=O)c2cccs2)cc1	58998	DTHZTXGJRSLGFS-UHFFFAOYSA-N	233.292	3.009	0	50	BGAA	
c1cncc([C@@H]2Nc3ccccc3-n3cccc32)c1	138100	BSOBGTYXYGHUTD-INIZCTEOSA-N	247.301	3.387	0	50	BGAA	
Oc1cc(C(F)(F)F)nc2ccc(F)cc12	170946	FNDABQIPEQHTNR-UHFFFAOYSA-N	231.148	3.098	0	50	BGAA	in-vitro
Cc1cc(C)cc(NC(=O)N2CCCCC2)c1	397183	WBFSLILZBZAPQS-UHFFFAOYSA-N	232.327	3.321	0	50	BGAA	
C[C@@H]1C[C@@H](C)CN(C(=O)Nc2ccccc2)C1	442602	NFQPHYQZPVGTLH-VXGBXAGGSA-N	232.327	3.196	0	50	BGAA	
CC(C)[n+]1ccccc1CCc1ccccc1	1225195	REEGZLXDFFGRTE-UHFFFAOYSA-N	226.343	3.340	0	50	BGAA	
Cc1cc(OCCCC(=O)O)cc(C)c1Cl	1871155	SZIQQNPRQQDZTF-UHFFFAOYSA-N	242.702	3.200	0	50	BGAA	
c1ccc2c(CSc3ncn[nH]3)cccc2c1	3176387	ULTUFXIBAOPILK-UHFFFAOYSA-N	241.319	3.250	0	50	BGAA	
CCc1ccc(OCCN2CCCCC2)cc1	4989667	NKYQGMFFHYDWOW-UHFFFAOYSA-N	233.355	3.114	0	50	BGAA	
CCCn1ncc2[nH]c(C3CCCCC3)nc21	20201223	KKZDIHXODPSANR-UHFFFAOYSA-N	232.331	3.217	0	50	BGAA	
Fc1ccc2nnn(C3CCCCC3)c2c1F	85477010	YUONRARSLNXSMC-UHFFFAOYSA-N	237.253	3.215	0	50	BGAA	in-vitro
O=C(CSc1ccccc1)N[C@H]1C=CCCC1	158525441	LWQYOSFQNJIYHW-LBPRGKRZSA-N	247.363	3.004	0	50	BGAA	
CC(C)(C)c1ccc2[nH]c(CCC(=O)O)cc2c1	222520438	OENLZWPSDNMJFS-UHFFFAOYSA-N	245.322	3.483	0	50	BGAA	
O=C1CCc2cc(Br)c(Cl)cc21	238552977	ISNWUQMFPSSUFZ-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
Fc1nccc(C(F)(F)F)c1Br	238599117	FVNPYUHMKBSSIR-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CCc1c(-c2ccc([C@@H](C)OC)cc2)cnn1C	426376290	GXUIKQLVDKKVSZ-LLVKDONJSA-N	244.338	3.357	0	50	BGAA	
CC(C)(C)[C@H](C(=O)O)c1cc(F)cc(F)c1	1857783426	NUCBSQCLETWPDO-JTQLQIEISA-N	228.238	3.179	0	50	BGAA	
CN1c2ccccc2N(C)C1c1ccc(F)cc1	41907	JPKQPUBZPREEOA-UHFFFAOYSA-N	242.297	3.411	0	50	BGAA	
CCC1CCC(N2C[C@@H](C)O[C@H](C)C2)CC1	214757	FBMBVEQNCJMYIC-IWMBGFJWSA-N	225.376	3.064	0	50	BGAA	
Cc1ccc(Cl)cc1-c1ccc(CO)o1	470029	BMTNFGZCBHXATA-UHFFFAOYSA-N	222.671	3.401	0	50	BGAA	
Fc1cccc(NC(=S)Nc2cccnc2)c1	13519481	GUWFMCXVCVJBRN-UHFFFAOYSA-N	247.298	3.030	0	50	BGAA	
CCCc1cc(C(=O)Nc2ccncc2)cs1	16580784	DZGFXMIKKHHJAY-UHFFFAOYSA-N	246.335	3.348	0	50	BGAA	
O[C@@H](c1ccc(Br)cc1)C1CCC1	36164458	JGWPCRSAIVXMAB-LLVKDONJSA-N	241.128	3.283	0	50	BGAA	
FC(F)(F)[C@H](c1ccccc1)[C@H]1CCCCN1	83323408	DWYITFYTKHCOSX-VXGBXAGGSA-N	243.272	3.475	0	50	BGAA	
CN1CCC(c2ccccc2)(c2ccccc2)C1	96026592	FYBFKIKMIMZJGI-UHFFFAOYSA-N	237.346	3.308	0	50	BGAA	
Cc1ccnn1CC12CC3CC(CC(C3)C1)C2	144745873	GFIMJSVZNMGNBT-UHFFFAOYSA-N	230.355	3.408	0	50	BGAA	
Cc1cccc2c1NCCN2C(=O)OC(C)(C)C	214873321	AJZQAXYLDSHRNJ-UHFFFAOYSA-N	248.326	3.162	0	50	BGAA	
COc1ccc2c(Cl)nc(Cl)nc2c1F	238370706	DMYMAIBKNOGWHV-UHFFFAOYSA-N	247.056	3.084	0	50	BGAA	
C1CC[C@@H]2[C@H](C1)OCCN2C[C@@H]1C[C@H]2CC[C@H]1C2	240412625	FNLLDLCPAKJKGY-GVRJEKJASA-N	249.398	3.066	0	50	BGAA	
Clc1ncn(Cc2cccc3ccccc23)n1	328593126	DGEAMSREUQUMRP-UHFFFAOYSA-N	243.697	3.133	0	50	BGAA	
C=CC(=O)N1CC2(CCCC2)[C@H]1c1ccccc1	863971268	MEISVLBLZMKTSE-OAHLLOKOSA-N	241.334	3.316	0	50	BGAA	
Cc1sc(N)c(C(=O)c2ccccc2)c1C	348091	JTKCGRTZGKUQJP-UHFFFAOYSA-N	231.320	3.178	0	50	BGAA	in-vitro
Cc1ccc(Cl)cc1NC(=O)NCC(C)C	397035	QREBYOLEPSGXJH-UHFFFAOYSA-N	240.734	3.426	0	50	BGAA	
Cc1ccc([C@@H](C(=O)O)c2ccccc2)cc1	1594517	JYDAJZSDPZCZSG-AWEZNQCLSA-N	226.275	3.212	0	50	BGAA	in-vitro
Cc1ccc([C@@H](O)c2ccc(N(C)C)cc2)cc1	4244758	OFZQBJHOCXPUMM-MRXNPFEDSA-N	241.334	3.143	0	50	BGAA	
Cc1cc(Nc2ccccc2C)nc(C)n1	11907747	NAIVUEUQUGOOPJ-UHFFFAOYSA-N	213.284	3.145	0	50	BGAA	
Cc1ccc(C(=O)Nc2cc(C(C)(C)C)on2)o1	16602334	GHRNUEYKQURRNF-UHFFFAOYSA-N	248.282	3.126	0	50	BGAA	
CC(C)n1ncc2[nH]c(-c3ccsc3)nc21	19111635	AWGYWOKOLGVDIH-UHFFFAOYSA-N	232.312	3.069	0	50	BGAA	
Cc1ccc(-c2cc(O)cc(C(=O)O)c2)cc1	65349486	OZOSVHKOJNWPRJ-UHFFFAOYSA-N	228.247	3.066	0	50	BGAA	
O=C1CC(c2ccccc2)=Nc2ccccc2N1	100573880	SRZDVYZVEYALFB-UHFFFAOYSA-N	236.274	3.150	0	50	BGAA	
Fc1cc(Cl)cc(OCC(F)(F)F)c1	261493565	DQIKRIIIBIPYPT-UHFFFAOYSA-N	228.572	3.420	0	50	BGAA	
COc1ccsc1CN[C@]12CCCC[C@@H]1C2	631228536	ZILWTUBQRUGCPG-MFKMUULPSA-N	237.368	3.179	0	50	BGAA	
O=Cc1cccc(-c2cccc(C(=O)O)c2)c1F	725270331	GXKOZIMKDKXWIN-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
C=CC(=O)N[C@@H](C)c1csc2ccccc12	1120459708	JVWKXMLKQMVTLI-VIFPVBQESA-N	231.320	3.265	0	50	BGAA	
Cc1cc(C(=O)Nc2ccc(F)cc2)c(C)o1	148127	BBJJFLLVXINBML-UHFFFAOYSA-N	233.242	3.288	0	50	BGAA	
CCOc1ccc(OCC)c2sc(C)nc12	236090	GBPUTVPNKOQBPQ-UHFFFAOYSA-N	237.324	3.402	0	50	BGAA	
OCCC1(c2cccs2)CCCCC1	337167	MSJMTWSTNVVGRJ-UHFFFAOYSA-N	210.342	3.332	0	50	BGAA	
CN(C)C(=O)c1sc2ccccc2c1Cl	432186	PUQKDRKZNPBMDY-UHFFFAOYSA-N	239.727	3.257	0	50	BGAA	
CCN(CC)C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	1597854	NGDCMVHOVGGVIX-RYUDHWBXSA-N	223.360	3.093	0	50	BGAA	
FC(F)=C(Br)C(F)(F)F	2243411	VSZURNDHYWQPTO-UHFFFAOYSA-N	210.927	3.052	0	50	BGAA	biogenic
O=Cc1c(-c2cccnc2)[nH]c2ccccc12	2534052	SQVYVEPAYPBNHI-UHFFFAOYSA-N	222.247	3.042	0	50	BGAA	in-vitro
Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)c1	6741236	DTNMDRGGBPTCIP-SGMGOOAPSA-N	231.339	3.137	0	50	BGAA	
c1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1	19370037	INERHEQVAVQJBO-INIZCTEOSA-N	248.329	3.403	0	50	BGAA	biogenic,in-vitro
CC[C@@H](C)NCc1ccc(OC)c(Cl)c1	20927975	CCYWSZOEHMLSJY-SECBINFHSA-N	227.735	3.237	0	50	BGAA	
CCOC(=O)Cc1c(Cl)cccc1Cl	38247177	XIIULTZDJYYIKR-UHFFFAOYSA-N	233.094	3.099	0	50	BGAA	
CCn1cnc2cc(C(F)(F)F)ccc21	40417118	GVRURIXNOTXYIW-UHFFFAOYSA-N	214.190	3.075	0	50	BGAA	
CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1	71762425	WQWXCIXQVDUJJZ-AWEZNQCLSA-N	249.329	3.017	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccccc1S	95217956	VYRPKHOYQLUMLP-UHFFFAOYSA-N	225.313	3.322	0	50	BGAA	in-vitro
CC(C)Sc1ccccc1NC(=O)N(C)C	96161869	YYQKWLLSXATZJP-UHFFFAOYSA-N	238.356	3.281	0	50	BGAA	
C/C(=C\CC[C@]1(C)C2C[C@H]3[C@H](C2)C31C)C(=O)O	103687117	NZSCHTYUGUVLHG-IXXXNAMTSA-N	234.339	3.480	0	50	BGAA	
Cc1nn(-c2ccccc2)c2c1[C@H]1[C@H](C2)C1(C)C	104154820	RAKGIIJILSWJIO-SWLSCSKDSA-N	238.334	3.476	0	50	BGAA	
FC(F)(F)c1ccc2sccc2n1	164690468	VHIPXYTUUONNMD-UHFFFAOYSA-N	203.188	3.315	0	50	BGAA	
C=Cc1ccc(-c2cn(C)nc2C)cc1C	1875340346	WVOGOQYSWCCCLY-UHFFFAOYSA-N	212.296	3.347	0	50	BGAA	
Cc1sc(-n2c(C)ccc2C)c(C(=O)O)c1C	198128	SSTIILNDWFESFQ-UHFFFAOYSA-N	249.335	3.471	0	50	BGAA	
CCCCc1ccc(C(=O)CCCC(=O)O)cc1	2579950	QUBYDYBBXCCCEA-UHFFFAOYSA-N	248.322	3.467	0	50	BGAA	
Cc1[nH]c(=S)n(-c2ccccc2)c1C	4661082	IYPVJHWJXHQHBF-UHFFFAOYSA-N	204.298	3.152	0	50	BGAA	
C1=CCC2(CC1)COC(c1ccco1)OC2	6093497	ODVKSTFPQDVPJZ-UHFFFAOYSA-N	220.268	3.052	0	50	BGAA	
Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2C[C@@H]2C)c1	6741238	DTNMDRGGBPTCIP-OBJOEFQTSA-N	231.339	3.137	0	50	BGAA	
CC(C)(C)OC(=O)NCc1ccccc1Cl	9259534	AKNRYTNXXVORTD-UHFFFAOYSA-N	241.718	3.365	0	50	BGAA	
Nc1cccc2c(Br)cccc12	12648577	VNPCNUAYDOLBDR-UHFFFAOYSA-N	222.085	3.185	0	50	BGAA	in-vitro
O=Cc1ccc2cc(Br)ccc2c1	34067820	DLLDUYJRQNTEOR-UHFFFAOYSA-N	235.080	3.415	0	50	BGAA	in-vitro
O=C1CCCc2ccc(C(F)(F)F)cc21	38435500	DWJWQWRIRONTKT-UHFFFAOYSA-N	214.186	3.224	0	50	BGAA	in-vitro
CN(C)C[C@H]1CCCC[C@@H]1Oc1ccccc1	45067778	PCFONODKILRICO-HIFRSBDPSA-N	233.355	3.186	0	50	BGAA	
Cc1cc(S)c(Br)cc1C	67796561	CFWIHBFAJUYDOD-UHFFFAOYSA-N	217.131	3.355	0	50	BGAA	
CC[C@H](NC(=O)c1cc[nH]c1)c1ccc(C)cc1	68231355	SJEZUUVPDGBIKQ-AWEZNQCLSA-N	242.322	3.204	0	50	BGAA	
COc1ccc2c(c1)[C@H]1CCCC[C@H]1C2=O	71774130	CAENESYYSOQKPN-WDEREUQCSA-N	216.280	3.165	0	50	BGAA	
COC(=O)c1cc(-c2cccc(F)c2)ccc1F	97757101	CGUZFNCGSVBGSW-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
COC(=O)c1cc(F)cc(-c2ccc(F)cc2)c1	97757235	PFZZKUAHSZKWNS-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
C[C@H](Nc1ncc(Cl)cn1)c1cccc(O)c1	175041772	HASVQHDYPSHYOW-QMMMGPOBSA-N	249.701	3.009	0	50	BGAA	
C[C@@H]1CC(C)(C)N=C(Cc2ccccc2)O1	155837	KDQDSZHGNOYQGK-LLVKDONJSA-N	217.312	3.215	0	50	BGAA	
COc1ccccc1CN[C@@H]1CCCC[C@H]1C	183468	FYWXKQKJNZOYEM-TZMCWYRMSA-N	233.355	3.364	0	50	BGAA	
C[n+]1c(Cc2ccccc2)sc2ccccc21	272215	JNVJIBRZZZLGHI-UHFFFAOYSA-N	240.351	3.317	0	50	BGAA	
O=C(c1ccc(Cl)cc1)c1ccco1	319089	QIYZYIJVBGPXKW-UHFFFAOYSA-N	206.628	3.164	0	50	BGAA	in-vitro
O=Cc1cc2c(s1)CCc1ccccc1C2	334074	GQVCNCQUBUVFON-UHFFFAOYSA-N	228.316	3.250	0	50	BGAA	
Clc1ncc(COc2ccccc2)s1	1398365	DKLDULIVLVOTMM-UHFFFAOYSA-N	225.700	3.376	0	50	BGAA	in-vitro
COc1cccc(-c2ccccc2C(=O)O)c1	2581005	RTAAHOXEHROLKE-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
CCCCNCCOc1ccc(Cl)cc1	2933086	ZSCNKOHVCKTDRS-UHFFFAOYSA-N	227.735	3.109	0	50	BGAA	
c1csc(CNc2ccc3c(c2)OCCO3)c1	3415943	AWFOJZJTUDVDFF-UHFFFAOYSA-N	247.319	3.131	0	50	BGAA	
CC(=O)Nc1nc(-c2ccccc2)c(C)s1	4427687	PAKQPQQSGMWRJN-UHFFFAOYSA-N	232.308	3.077	0	50	BGAA	
CCNc1ccc(Br)c(C)c1	19093077	VSAYZAYGQJLJMH-UHFFFAOYSA-N	214.106	3.189	0	50	BGAA	
Cc1cc(C=O)c(C)c(CN2CCC[C@@H](C)C2)c1	19094104	BYZKCGFGBVMXQN-GFCCVEGCSA-N	245.366	3.348	0	50	BGAA	
Clc1ncnc2c1ccn2Cc1ccccc1	34494117	KMWWCJXJJNHTQL-UHFFFAOYSA-N	243.697	3.133	0	50	BGAA	in-vitro
COC(=O)c1cccn1-c1cccc(Cl)c1C	34792368	YHESBUJDPDMJDF-UHFFFAOYSA-N	249.697	3.226	0	50	BGAA	
CCOC(=O)c1ccc(F)c(C(F)(F)F)c1	43566788	RLNAFSBTKPNVIX-UHFFFAOYSA-N	236.164	3.021	0	50	BGAA	
C(=C/c1cccc(-n2cnnc2)c1)\c1ccccc1	67514559	HJHFTQUIGMRBPN-MDZDMXLPSA-N	247.301	3.438	0	50	BGAA	
Nc1ccc(SC(F)(F)F)cc1F	85936012	QNQRDYVNFVFUES-UHFFFAOYSA-N	211.183	3.020	0	50	BGAA	in-vitro
CC(C)C[C@H](C)N1CCC[C@@H](c2ccn[nH]2)C1	222095511	QULADYCSDKLJHU-QWHCGFSZSA-N	235.375	3.024	0	50	BGAA	
N[C@@H](C1CCCCC1)C1(O)CCCCCCC1	958528019	MJWUIKAJUQWOLU-AWEZNQCLSA-N	239.403	3.369	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2ncccn2)cc1	1506423290	DZZYGFQSWRYZCN-LLVKDONJSA-N	228.295	3.241	0	50	BGAA	
Fc1ccc(-c2nccn2C2CC2)c(F)c1	1875248957	ANEUBXJWDRHPQT-UHFFFAOYSA-N	220.222	3.163	0	50	BGAA	
O=C(O)CCc1ccc(-c2cccs2)o1	99261	ADIPPCCQUCTDJD-UHFFFAOYSA-N	222.265	3.025	0	50	BGAA	in-vitro
CCOc1ccc(C(=S)N2CCCCC2)cc1	151850	WPWVVUISVHOGPH-UHFFFAOYSA-N	249.379	3.247	0	50	BGAA	
CC(=O)Nc1ccc2c(c1)Cc1ccccc1-2	154557	CZIHNRWJTSTCEX-UHFFFAOYSA-N	223.275	3.216	0	50	BGAA	in-vitro
Brc1ccc(-c2cnco2)cc1	158795	FEBCQOHEPVLTLY-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
c1cncc(-c2noc(C3CCCCC3)n2)c1	238204	GDJJKZLJHPOOJL-UHFFFAOYSA-N	229.283	3.179	0	50	BGAA	
CCCCN(CCCC)C(=O)C(C)(C)C	1627038	BLSDBULMVZFPPN-UHFFFAOYSA-N	213.365	3.461	0	50	BGAA	
CCCCCC[C@H]1C(=O)CC[C@@H]1CC(=O)OC	1902252	GLASPHLTTAHWPI-VXGBXAGGSA-N	240.343	3.115	0	50	BGAA	biogenic
Cc1ccc(OCCCN2CCC[C@H](C)C2)cc1	2822554	YKLDEHREGBUFKH-HNNXBMFYSA-N	247.382	3.496	0	50	BGAA	
c1ccc([C@H]2C[C@H]3CC4(CCCC4)N2O3)cc1	4186636	QMXWPGNYNKFWCU-UONOGXRCSA-N	229.323	3.450	0	50	BGAA	biogenic
C[C@@H](c1ccccc1)n1nnc2ccccc21	4487639	OPHKDUBTSCTCPN-NSHDSACASA-N	223.279	3.041	0	50	BGAA	
C[C@H](CNC1CCCC1)c1ccccc1	4695099	CURGVIKWEJTIFQ-GFCCVEGCSA-N	203.329	3.322	0	50	BGAA	
COc1ccc(CCN[C@H]2CCC[C@@H](C)C2)cc1	4989416	SBEGRBHIEYEKSK-HIFRSBDPSA-N	247.382	3.406	0	50	BGAA	
CC(C)(C)C(=O)NC1CCCCCCC1	5283899	ZKBUQWDSOYGFDW-UHFFFAOYSA-N	211.349	3.262	0	50	BGAA	
O=C1CCCSc2ccc(Cl)cc2N1	5844468	WTVBWSODDCUAAV-UHFFFAOYSA-N	227.716	3.164	0	50	BGAA	
CNCc1ccc(-c2ccccc2Cl)o1	6678549	AFCBXFZGBJHTIL-UHFFFAOYSA-N	221.687	3.319	0	50	BGAA	
Cc1ccoc1C(=O)NCc1ccccc1Cl	12274778	GYIYCNODSFFTMK-UHFFFAOYSA-N	249.697	3.171	0	50	BGAA	
O=C1Nc2ccccc2/C1=C\c1ccc(F)cc1	12339634	QIERHADIMMFZNE-UKTHLTGXSA-N	239.249	3.318	0	50	BGAA	
CNC/C=C/COc1cccc(C(C)(C)C)c1	12381762	DKUNEBVZDCLSAD-AATRIKPKSA-N	233.355	3.139	0	50	BGAA	
Cc1cc(NC(=O)CC2CC2)n(C2CCCC2)n1	20538895	IYZZOYASEFWVIX-UHFFFAOYSA-N	247.342	3.045	0	50	BGAA	
CCOc1ccc2nccc(Cl)c2c1	32099448	UMAFNRLXFGANJH-UHFFFAOYSA-N	207.660	3.287	0	50	BGAA	in-vitro
COC(=O)c1ccc(Cl)c(C(F)(F)F)c1	34236828	GDGXIYBUDUJCEV-UHFFFAOYSA-N	238.592	3.145	0	50	BGAA	
Cc1ccc(O)c([C@H](CCO)c2ccccc2)c1	34584248	MJPIYYRDVSLOME-CQSZACIVSA-N	242.318	3.215	0	50	BGAA	in-vitro
Fc1cc(F)c(Cl)c(Br)c1	59796754	NYLNBNAPLADVTL-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
CCO[C@@H](C)c1ccc(-c2cncnc2)cc1	67771872	WXZRBQIIZWGJBW-NSHDSACASA-N	228.295	3.241	0	50	BGAA	
C[C@@]1(c2ccccc2)CCC(=O)N(C2CCC2)C1	91365010	NLJHFSQVJSJFEX-MRXNPFEDSA-N	243.350	3.119	0	50	BGAA	
O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1	100974983	FMMGLEFCJGVHDC-RWMBFGLXSA-N	242.322	3.020	0	50	BGAA	
CCn1nc(C)c(NC[C@@H]2C[C@H]3C=C[C@H]2C3)c1C	154459296	MEGRYUNWESWMOQ-IHRRRGAJSA-N	245.370	3.144	0	50	BGAA	
Cc1ccc(F)cc1CNCc1ccsc1	163234166	ZFHSKHGEFAUPQO-UHFFFAOYSA-N	235.327	3.485	0	50	BGAA	
CO[C@H](C)c1cccc(-c2nc(C)cc(C)n2)c1	426414257	GFTFMWSJUDKZFN-GFCCVEGCSA-N	242.322	3.468	0	50	BGAA	
CCC1(CC(=O)O)CCC(F)(F)CC1	1772718281	MJXSHNDGHRQUEW-UHFFFAOYSA-N	206.232	3.067	0	50	BGAA	
Nc1ccc(C(F)(F)F)cc1Br	58140	QKRJIXSZTKOFTD-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	in-vitro
Cc1c(Cl)cccc1NC(=O)c1ccncc1	119511	YGHJSNJVLDXZRV-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
O=C1Nc2ccc(Br)c3cccc1c23	208615	AWNRAAVXFSTMQS-UHFFFAOYSA-N	248.079	3.168	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(F)cc2)s1	2243975	YOFXYDVYMHOXSY-UHFFFAOYSA-N	222.240	3.252	0	50	BGAA	in-vitro
Cc1cc(C)cc([C@@H](O)c2ccccc2)c1	4255608	SLNXZUABMKSUBT-HNNXBMFYSA-N	212.292	3.385	0	50	BGAA	
CCc1ccc(Nc2nnc(C)s2)cc1	6703249	ULKJYBAFGIWMKF-UHFFFAOYSA-N	219.313	3.153	0	50	BGAA	
C[C@](Cc1ccccc1)(C(=O)O)c1ccccc1	8617018	ZWIZUBYJTNGOPG-MRXNPFEDSA-N	240.302	3.272	0	50	BGAA	
CCOC(=O)c1cc(-c2ccc(F)cc2)[nH]c1C	16578893	FFVDBQOSQOKHGP-UHFFFAOYSA-N	247.269	3.306	0	50	BGAA	
Cc1cn(C)c2ccc(Br)cc12	60051857	QVWBXPVEGYLTRQ-UHFFFAOYSA-N	224.101	3.249	0	50	BGAA	
C[C@@H]1CCc2nc(Nc3ccccc3)ncc2C1	67320874	PDJGNYNOFIDBSN-LLVKDONJSA-N	239.322	3.345	0	50	BGAA	
OC12CC3C[C@@H](C1)C(Nc1ccccc1)[C@@H](C3)C2	103545587	PVPAWNFWGQRKMU-IKZJNQNNSA-N	243.350	3.038	0	50	BGAA	
COc1cc(Br)c(Cl)cc1F	238449318	AILRYFOVHOADOP-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
C[C@@H](N[C@H](C)c1ccnc(O)c1)c1ccsc1	340446873	QDUHDHCTRUFJPZ-NXEZZACHSA-N	248.351	3.261	0	50	BGAA	
Cc1c(-c2nc[nH]c3nccc2-3)[nH]c2ccccc12	2332238134	JHSOAQYWVYAMMA-UHFFFAOYSA-N	248.289	3.366	0	50	BGAA	
Cc1ccccc1-c1nc2cc(N)ccc2o1	123028	UETQYGACINQVKI-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
C[C@H]1CC(C)(C)O[C@H](c2ccccc2)O1	281237	OHAGICGDFQGNHT-CMPLNLGQSA-N	206.285	3.289	0	50	BGAA	
CCCCNC(=S)Nc1ccc(C)cc1	2187387	UPUIDLUKVYYLMY-UHFFFAOYSA-N	222.357	3.082	0	50	BGAA	
Cc1oc(-c2ccccc2Cl)cc1CO	11690083	KHCKXACZKNBVFT-UHFFFAOYSA-N	222.671	3.401	0	50	BGAA	
CCOc1ccc(Br)cc1C	39264217	VLEKYZFNWIUBGE-UHFFFAOYSA-N	215.090	3.156	0	50	BGAA	in-vitro
CC(C)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	72115988	BMNAPGMWKUJXBM-LBPRGKRZSA-N	247.338	3.061	0	50	BGAA	
COc1ccc([C@H]2CCCN2C(C)C)cc1OC	96027884	PSKUKIBTKRAOHK-CYBMUJFWSA-N	249.354	3.249	0	50	BGAA	
COC(=O)c1cccc(-c2cc(F)ccc2F)c1	97757266	XHIVQXIZHYWZBQ-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CCC[SnH2+](CCC)CCC	169747067	ZCGXGGMHFNGMEI-UHFFFAOYSA-N	249.994	3.176	0	50	BGAA	
CN1Cc2ccccc2N=C1c1ccccc1	200818339	AKTJIPJNBOQPCX-UHFFFAOYSA-N	222.291	3.210	0	50	BGAA	
Cc1cc2cc(Br)c(F)cc2[nH]1	216323570	ZJSDBFRXIKNPOG-UHFFFAOYSA-N	228.064	3.378	0	50	BGAA	
Fc1ccc(C(F)(F)F)c(OC(F)F)c1	263622874	BPBODAWZLDSBEU-UHFFFAOYSA-N	230.107	3.446	0	50	BGAA	
Clc1cccc2ccc(-c3cncnc3)nc12	534590690	MXNYUKORTHBDJW-UHFFFAOYSA-N	241.681	3.345	0	50	BGAA	
C=CC(=O)NCc1ccc(-c2cccs2)cc1	1338390805	YGYYEQCTGRANRQ-UHFFFAOYSA-N	243.331	3.217	0	50	BGAA	
CC1=CCC[C@]2(C)CC[C@@](O)(C(C)(C)O)C[C@H]12	2332918204	PGKALOHOTKMNJR-YUELXQCFSA-N	238.371	3.035	0	50	BGAA	
COc1ccc(-c2ocnc2CC2CC2)cc1F	2356140052	RNZMCISJTWPYBR-UHFFFAOYSA-N	247.269	3.442	0	50	BGAA	
CC(=O)N1c2ccccc2C(C)=CC1(C)C	75402	NTEBDFQFERUHKG-UHFFFAOYSA-N	215.296	3.235	0	50	BGAA	
Cc1ccc(-c2ccc(CCC(=O)O)o2)cc1	302706	XIEFXNUAGJCARS-UHFFFAOYSA-N	230.263	3.272	0	50	BGAA	in-vitro
Cc1c(Cl)c(Cl)nc(Cl)c1C(=O)O	333184	SSKQQYTWGFOTOY-UHFFFAOYSA-N	240.473	3.048	0	50	BGAA	
Cc1cccc(NC(=O)c2cccc(F)c2)c1	361968	JXURCZBELJVDNC-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
O=C(c1cc(Cl)cc(Cl)c1)N1CCCC1	848773	ATTZDSKZVKOEOX-UHFFFAOYSA-N	244.121	3.229	0	50	BGAA	
FC(F)(F)CSCc1ccccc1	2556952	ZDVBYNCJCIYCFO-UHFFFAOYSA-N	206.232	3.482	0	50	BGAA	in-vitro
CCN(CC)C(=O)NC1CCCCCCC1	4834680	UNXABWBBYAWMAP-UHFFFAOYSA-N	226.364	3.151	0	50	BGAA	
Cc1ccccc1NC(=O)Cc1cccc(F)c1	4855621	ZHBZJDLFSWAXRI-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
Cc1nc(Cl)c2cc(Cl)ccc2n1	40448780	RKICQFNPYTWKSN-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	in-vitro
O=C(O)/C=C1\CCC[C@@H](c2ccccc2)C1	43761125	HOPLUVKUQXCXOB-OCHBPSSRSA-N	216.280	3.355	0	50	BGAA	
CCc1c[nH]c2ccc(Br)cc12	115890166	FWAOBGFMQZTFAJ-UHFFFAOYSA-N	224.101	3.493	0	50	BGAA	
COc1ncccc1CN[C@H](C)C1=CCCCC1	952985982	VGUKTRXDFPEJAR-GFCCVEGCSA-N	246.354	3.069	0	50	BGAA	
Cc1ncsc1-c1ocnc1CC1CC1	2356155270	AAIATCBGZXNDLR-UHFFFAOYSA-N	220.297	3.059	0	50	BGAA	
Cc1ccc(C)c(NCc2ccccc2CO)c1	54757	YTXWAHSYKSUPAU-UHFFFAOYSA-N	241.334	3.408	0	50	BGAA	
O=Cc1ccc(-c2ccccc2F)cc1	1257584	XUAVPKGLNUEBHK-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	
CC(C)CC(=O)OC/C=C/c1ccccc1	1677811	FOCMOGKCPPTERB-RMKNXTFCSA-N	218.296	3.289	0	50	BGAA	
CC1(C(=O)O)c2ccccc2-c2ccccc21	2159211	PUPWRKQSVGUBQS-UHFFFAOYSA-N	224.259	3.058	0	50	BGAA	in-vitro
COc1ccc(NCc2ccccc2)cc1	2464595	LIJJGMDKVVOEFT-UHFFFAOYSA-N	213.280	3.307	0	50	BGAA	in-vitro
CCC[C@H](C)NC(=O)c1ccccc1SC	2885232	MBDHINBGEADFIX-JTQLQIEISA-N	237.368	3.327	0	50	BGAA	
O=C(Oc1ccc(F)cc1)c1ccc(F)cc1	3220112	RQTHSDZCKHPFMS-UHFFFAOYSA-N	234.201	3.184	0	50	BGAA	
CCCOc1cccc(NC(=O)C(C)(C)C)c1	9780287	YMWUPJNNOWGLCG-UHFFFAOYSA-N	235.327	3.460	0	50	BGAA	
Cc1ccc2c(-c3c[nH]c(C)n3)cccc2n1	19730683	SBGNCYAHFPFMJB-UHFFFAOYSA-N	223.279	3.242	0	50	BGAA	
CN(C)[C@@H]1CCCC[C@H]1c1ccccc1	34411703	MJWLTNXSPRLXPT-UONOGXRCSA-N	203.329	3.274	0	50	BGAA	
On1c(-c2ccccc2)csc1=S	43214684	ANOKHLGCGJZPNP-UHFFFAOYSA-N	209.295	3.183	0	50	BGAA	
CCCCOc1cc(C(=O)O)ccc1Cl	65337052	VRKIJXYNWBDRJJ-UHFFFAOYSA-N	228.675	3.217	0	50	BGAA	in-vitro
CCCCNC[C@@H]1C[C@@H](C)c2ccccc2C1=O	96026834	DMLSMEWRMJQNOO-OLZOCXBDSA-N	245.366	3.382	0	50	BGAA	
CCc1cc(C)nc(-c2ccc(OC)cc2)n1	170623796	CGOWUTRKLOSAFG-UHFFFAOYSA-N	228.295	3.023	0	50	BGAA	
O[C@]1(c2ccccc2)C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	245225285	RHJLKXNREDSSQB-VMMWWAARSA-N	228.335	3.330	0	50	BGAA	
CC[C@H](C)c1cc(O)nc(-c2ccccc2)n1	1776004249	PNZATELXRJLSNK-JTQLQIEISA-N	228.295	3.363	0	50	BGAA	
Nc1ccccc1C(=O)Sc1ccccc1	336277	BYPVBOGKNPXJDG-UHFFFAOYSA-N	229.304	3.201	0	50	BGAA	
Cc1ccc(CCc2ccc(C)cc2N)c(N)c1	390420	KWWRHCUTBRZDPP-UHFFFAOYSA-N	240.350	3.253	0	50	BGAA	
Cc1cc(C)cc(C(=O)N2CCCCCC2)c1	496726	AWOMJFVKLQWCLM-UHFFFAOYSA-N	231.339	3.320	0	50	BGAA	
CC/C=C/CCOC(=O)Cc1ccccc1	2020150	FJKFIIYSBXHBCT-ONEGZZNKSA-N	218.296	3.129	0	50	BGAA	
Cc1cc(OCc2ccccc2)ccc1C=O	2244158	OGVPJBJWJCZBTH-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
CCCCCCC(=O)NCc1ccccc1	2513494	SBVDDVZXEJHGHG-UHFFFAOYSA-N	219.328	3.273	0	50	BGAA	
C[C@H](N)c1ccc(OCc2ccccc2)cc1	3705526	QMDCQFSPDUEVRF-LBPRGKRZSA-N	227.307	3.285	0	50	BGAA	
NCc1ccc(-c2ccccc2Cl)cc1	5766911	GYHAMZMWZUSNMQ-UHFFFAOYSA-N	217.699	3.466	0	50	BGAA	
c1ccc2c(c1)CCC[C@H]2NCc1ccncc1	16667367	GSPCKMUOZSNPJL-MRXNPFEDSA-N	238.334	3.249	0	50	BGAA	
Cc1cc(Br)ccc1OC(F)F	36533720	KOXSTKLIJNSMIO-UHFFFAOYSA-N	237.043	3.359	0	50	BGAA	in-vitro
Cc1ccc2ncccc2c1Br	88608556	CHONOBMGSBMLDE-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Cc1nc(Cl)cc(C2CCCCC2)n1	238521101	PYTZFDBFBDHRHD-UHFFFAOYSA-N	210.708	3.486	0	50	BGAA	
CCc1ccc(CN[C@@H]2CC[C@H]2C)s1	308472958	CLWUVWFZHZQQHW-BXKDBHETSA-N	209.358	3.199	0	50	BGAA	
N=C(O)CC1(CNC2CCC3(CC2)CC3)CC1	333842618	LOEZZXXIRWFJRP-UHFFFAOYSA-N	236.359	3.004	0	50	BGAA	
Cc1occc1CN1CCC[C@@H]1c1cccnc1	334579185	KVKINCFZXMDKNC-OAHLLOKOSA-N	242.322	3.320	0	50	BGAA	
Cc1ccc(NC(=O)Nc2ccncc2)cc1	40950	POYXSENYDFATHJ-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
COc1ccc(CC2SCCCS2)cc1	391649	FOUQTKRRDHYJOU-UHFFFAOYSA-N	240.393	3.434	0	50	BGAA	
CCCCCC(=O)OCCc1ccccc1	1850820	BUYNWUMUDHPPDS-UHFFFAOYSA-N	220.312	3.353	0	50	BGAA	endogenous,in-man
CC(=O)OC1c2ccccc2-c2ccccc21	2565982	UWSLPNWPRYFAMX-UHFFFAOYSA-N	224.259	3.320	0	50	BGAA	in-vitro
C[C@@H](c1ccc(Br)cc1)N(C)C	6487606	YUNJWUBNQZOPRY-QMMMGPOBSA-N	228.133	3.072	0	50	BGAA	
Oc1cc(Br)cc(C(F)(F)F)c1	42750102	BWJBVICFLRSNNM-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
C1=C/C(=C2/C=C(c3ccc[nH]3)CCC2)N=C1	43756659	ZBHKZHBJKDBTDK-OWBHPGMISA-N	210.280	3.477	0	50	BGAA	
Oc1cc(Cl)cc(OC(F)F)c1Cl	263624659	SKZOWEHJYUTWQT-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
CC(C)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1	474400384	UONGCVUSCXARLQ-ZDUSSCGKSA-N	249.329	3.334	0	50	BGAA	
CCCCc1nnc(-c2ccc(C)cc2)o1	642881854	WXPPCXFDDMRYNB-UHFFFAOYSA-N	216.284	3.388	0	50	BGAA	
Nc1ccc(F)c(C(F)(F)C(F)(F)F)c1	725378363	JVNMOTHPYQEQEJ-UHFFFAOYSA-N	229.123	3.062	0	50	BGAA	
CC(C)Cc1nnc2n1-c1ccccc1SC2	1772815449	RSCLOVQJMBVTBS-UHFFFAOYSA-N	245.351	3.072	0	50	BGAA	
Cc1ccc(C)c(-c2nncc(C)c2C)c1	2100545123	HIWYSEQPCLHVGZ-UHFFFAOYSA-N	212.296	3.377	0	50	BGAA	
COc1cccc(Nc2ccccc2C(=O)O)c1	282516	SSRGDXQQJKAWKX-UHFFFAOYSA-N	243.262	3.137	0	50	BGAA	
Cc1ccc(C(=O)Oc2cccc(C=O)c2)cc1	317450	QHRMZEFTFQSMEN-UHFFFAOYSA-N	240.258	3.027	0	50	BGAA	
c1ccc2[nH]c(NC3CCCCC3)nc2c1	513029	PKTNGYZDDOIBKR-UHFFFAOYSA-N	215.300	3.308	0	50	BGAA	
CC(C)N(C(=O)Nc1ccccc1F)C(C)C	2889966	WKJVOCAFBBVLKA-UHFFFAOYSA-N	238.306	3.476	0	50	BGAA	
Fc1ccccc1NCc1cccs1	19944227	NJZNMFGQSSIVEU-UHFFFAOYSA-N	207.273	3.499	0	50	BGAA	
O=Cc1cc(C(F)(F)F)nc2ccccc12	20446273	YORNOUOCXCQZJB-UHFFFAOYSA-N	225.169	3.066	0	50	BGAA	
FC(F)(F)c1nc(Cl)c2sccc2n1	32625271	ZUEIVUWZCAKOPP-UHFFFAOYSA-N	238.621	3.364	0	50	BGAA	in-vitro
Cc1cc(Cl)c(Cl)cc1C(=O)O	34599905	DUULAHGVYKMTME-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	
O=C(c1cc(Cl)ccc1F)N1CCCCC1	40419602	YWDAOUJGPCPVSA-UHFFFAOYSA-N	241.693	3.105	0	50	BGAA	
COC(=O)C1=CC[C@](C)(c2ccccc2)CC1	43214831	JBJXBFZMOHZKPJ-HNNXBMFYSA-N	230.307	3.228	0	50	BGAA	
CCOc1nnc(C(C)C)c2ccccc12	71773796	UPALEEBQBONGKE-UHFFFAOYSA-N	216.284	3.152	0	50	BGAA	
O=C(O)c1cn(CCCCCF)c2ccccc12	95705112	DYLIZXRQZRUDLA-UHFFFAOYSA-N	249.285	3.479	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2ccc(F)cc2F)c1	97757082	XJVMJGBCFNHQRL-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
Brc1ccc2c3c([nH]c2c1)CCC3	168560970	JCEVVEDOCLAFTJ-UHFFFAOYSA-N	236.112	3.419	0	50	BGAA	
CC[Si](/C=C/CCCO)(CC)CC	169827632	AJOORSUDFVCZPO-PKNBQFBNSA-N	200.398	3.363	0	50	BGAA	
O=C([C@@H]1CC=CCC1)N1CC[C@H]2CCCC[C@@H]21	685945232	AAHGGBLRBJFRJH-MCIONIFRSA-N	233.355	3.134	0	50	BGAA	
O=C1C[C@@H](c2ccccc2)Oc2cc(O)ccc21	57920	SWAJPHCXKPCPQZ-AWEZNQCLSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vivo
O=C(O)c1cccnc1Oc1ccc(Cl)cc1	92431	FVAZJGJEENAKRJ-UHFFFAOYSA-N	249.653	3.226	0	50	BGAA	
O=C(Cc1ccccc1)Nc1cccc(F)c1	513670	YESMIKZYGVRYED-UHFFFAOYSA-N	229.254	3.007	0	50	BGAA	
CCCCN(C)[C@H](C)CCc1ccc(O)cc1	2464081	CNBLYLWPZUMVSN-CYBMUJFWSA-N	235.371	3.445	0	50	BGAA	
CC(C)(Br)C(C)(C)Br	2510301	KLFWZEFFWWOMIF-UHFFFAOYSA-N	243.970	3.333	0	50	BGAA	in-vitro
CCNC(=O)c1cccc(Oc2ccccc2)c1	6726436	NVFFZKKWEBNVOV-UHFFFAOYSA-N	241.290	3.229	0	50	BGAA	
c1cc(CCCCc2ccncc2)ccn1	8701063	XEWYLBJSCXVMCJ-UHFFFAOYSA-N	212.296	3.042	0	50	BGAA	
CCOC(=O)c1cnc2cccc(Cl)c2c1	34519628	GPGUJGOPBUCQMY-UHFFFAOYSA-N	235.670	3.065	0	50	BGAA	
Cc1cc(O)cc(Cl)c1Br	166856241	HLSGKNUHUDYLGD-UHFFFAOYSA-N	221.481	3.117	0	50	BGAA	
COc1cccc(-c2nc(-c3ccco3)no2)c1	216622905	FZWCQYLQJPDVCJ-UHFFFAOYSA-N	242.234	3.005	0	50	BGAA	
Cc1cc(Cl)c(/C=C/C(=O)O)c(Cl)c1	263624782	UDCXBPMGPNMNGM-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
CCC[C@@H](C(=O)Nc1ccccc1)n1cccc1	952963505	UIUVSCZWWVSPFS-AWEZNQCLSA-N	242.322	3.468	0	50	BGAA	
COc1c(C)cc(-c2cccnc2O)cc1C	1241112428	MLGZBWUSARWCON-UHFFFAOYSA-N	229.279	3.080	0	50	BGAA	
COc1cccc(NC(=O)CC(C)(C)C)c1	30832	JBCRRFDBNQOFJA-UHFFFAOYSA-N	221.300	3.070	0	50	BGAA	
CC(=C/C(=O)O)/C=C/c1c[nH]c2ccccc12	134858	MYZOWPQEARTBQG-QDJLDCPTSA-N	227.263	3.212	0	50	BGAA	biogenic
Cc1ccc(CN2CCCCCCC2)o1	759120	UBADXAKKDIFIHJ-UHFFFAOYSA-N	207.317	3.354	0	50	BGAA	
Nc1cccc(-c2cn3cc(Cl)ccc3n2)c1	1393555	DGRUBXTUPVOPAI-UHFFFAOYSA-N	243.697	3.237	0	50	BGAA	in-vitro
CCCCCCOc1ccc(C=O)cc1	1603199	GWXUVWKBVROFDM-UHFFFAOYSA-N	206.285	3.458	0	50	BGAA	biogenic,in-vitro
c1ccc(-c2cnc(C3CCNCC3)s2)cc1	2527197	RDKOIBCQMYSNMS-UHFFFAOYSA-N	244.363	3.277	0	50	BGAA	
COc1ccc([C@H](O)c2cccc(C)c2)cc1	4267985	KUDYMJXGUGLQGM-HNNXBMFYSA-N	228.291	3.085	0	50	BGAA	
Fc1cc2[nH]ccc2cc1Br	38247025	HAKIMTKXOCVWRH-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	
CCn1c(C)nnc1CSC1CCCCC1	170608216	DRGXYWFSXYSMME-UHFFFAOYSA-N	239.388	3.172	0	50	BGAA	
Cc1c(Cl)cc(/C=C/C(=O)O)cc1Cl	263624580	RSNKTDCGGXPWJG-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
O=Cc1c(F)cccc1-c1cccc(C(=O)O)c1	725271092	YVAKEBQGEYBOBX-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
Cc1ccc(-c2cccc3ocnc23)cc1N	1240961787	IIUWUGLDGYKNNI-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	
Nc1cncc(-c2cc(F)cc3cccnc23)c1	1242500982	YMYPKVFLXWEKIQ-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
CC(C)Oc1ccccc1Br	2545230	MMORVPBHAHXAHH-UHFFFAOYSA-N	215.090	3.236	0	50	BGAA	in-vitro
O=C(NCCCc1ccccc1)c1cccs1	2773943	KZYPKZIQOMGIAS-UHFFFAOYSA-N	245.347	3.111	0	50	BGAA	
O=C(Oc1ccccc1)c1cccc2cccnc12	2874691	GPMDYHKFDVDMLK-UHFFFAOYSA-N	249.269	3.454	0	50	BGAA	
Cc1cccc(OCCN2CCCCC2)c1C	4989676	OEVLIVHIFHSMHJ-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
Nc1nc(-c2ccc(Cl)cc2)cs1	8655326	DWGWNNCHJPKZNC-UHFFFAOYSA-N	210.689	3.046	0	50	BGAA	biogenic
O=C(O)c1ccc(-c2ccccc2Cl)nc1	12955823	VXJAZQMICITSTL-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
Cc1ccccc1C(=O)Oc1cccc(C=O)c1	14015604	GYMKVGXVNSSHBO-UHFFFAOYSA-N	240.258	3.027	0	50	BGAA	
c1cc(-c2cn[nH]c2)ccc1CN1CCCCC1	32576496	SBHGHZMCWVKCNH-UHFFFAOYSA-N	241.338	3.063	0	50	BGAA	
CC(C)Oc1cccc(-c2ccc(N)nc2)c1	65491649	FAVLQJUCVUWOAC-UHFFFAOYSA-N	228.295	3.118	0	50	BGAA	
C1=C(CCn2ccnc2-c2ncc[nH]2)CCCC1	67473395	ZVKYWJLINSFUHK-UHFFFAOYSA-N	242.326	3.164	0	50	BGAA	
CCCN(C)[C@H]1C[C@H](OCC)C12CCCCC2	170639849	QIAZITDQGOOBER-KBPBESRZSA-N	239.403	3.456	0	50	BGAA	
CCCCOc1c(F)cc(O)cc1Cl	261493817	JZCKYHZGZGJQNQ-UHFFFAOYSA-N	218.655	3.364	0	50	BGAA	
COC1(C)CCN(Cc2ccc(C)c(C)c2)CC1	272321837	AZMYETUFCNETFI-UHFFFAOYSA-N	247.382	3.304	0	50	BGAA	
CCC(C)(C)C(=O)Nc1nnc(C(C)C)s1	380313	OGQGOMVJRMYTPZ-UHFFFAOYSA-N	241.360	3.036	0	50	BGAA	
Cc1ccc(C)n1NC(=O)c1ccccc1Cl	477314	KEFGYICFAOCNFB-UHFFFAOYSA-N	248.713	3.142	0	50	BGAA	aggregator
O=C(NC1CCCCCC1)c1cccs1	2494366	IBKIQVVJWVPWSB-UHFFFAOYSA-N	223.341	3.201	0	50	BGAA	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(F)cc1	2821216	KIWHZRFCFCZUKI-GHMZBOCLSA-N	235.302	3.229	0	50	BGAA	
CC(C)c1ccc(-c2cc(C(=O)O)no2)cc1	11801651	UERITGBANMVLAF-UHFFFAOYSA-N	231.251	3.163	0	50	BGAA	in-vitro
COc1ccccc1-c1cccc(O)c1	16946986	OCPARCZPYGOHOG-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	
CSCc1cccc(Br)c1	39250539	IAYANMBFMSHEHV-UHFFFAOYSA-N	217.131	3.312	0	50	BGAA	in-vitro
Nc1cc(F)c(C(F)(F)F)cc1Cl	307103984	HQCISOOHPIHPGW-UHFFFAOYSA-N	213.561	3.080	0	50	BGAA	
CCc1nn(C)cc1-c1ccc([C@H](C)OC)cc1	426379746	NHHNQMYVFQTACS-NSHDSACASA-N	244.338	3.357	0	50	BGAA	
Cc1ccc(C2(N[C@@H]3CCSC3)CC2)cc1	534646647	LUXLZTKHDBXUKJ-CYBMUJFWSA-N	233.380	3.079	0	50	BGAA	
CCCn1nc(C2(c3ccccc3)CC2)nc1C	1772804346	MZZSPYCASZRDSP-UHFFFAOYSA-N	241.338	3.076	0	50	BGAA	
Cc1cccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1	292642	TYGISFKQVIYHFA-STQMWFEESA-N	231.339	3.398	0	50	BGAA	
Cc1ccc(/C=C/C(=O)N2CCCCC2)cc1	445245	HTOJRVQIAAPNSQ-MDZDMXLPSA-N	229.323	3.021	0	50	BGAA	
C[C@H](CO)Cc1ccc(C(C)(C)C)cc1	2046384	SJMDLCVBSNYMMJ-NSHDSACASA-N	206.329	3.155	0	50	BGAA	
c1cc(-c2noc(CC3CCCCC3)n2)ccn1	2358202	KDCMKVDAFILOHK-UHFFFAOYSA-N	243.310	3.254	0	50	BGAA	
CC(C)CC(=O)Nc1ccccc1OC(F)F	4842690	LNNIMLQMIZPZSH-UHFFFAOYSA-N	243.253	3.273	0	50	BGAA	
CCOC(=O)c1nc(C)sc1-c1ccccc1	34926449	HSFRCOFVLZREFP-UHFFFAOYSA-N	247.319	3.295	0	50	BGAA	in-vitro
CCc1ccc(-c2ccc(C(=O)O)o2)cc1	34975308	IAGPEIRSTBIHBT-UHFFFAOYSA-N	216.236	3.207	0	50	BGAA	in-vitro
C[C@H]1[C@H](C)CCC[C@H]1NCc1ccco1	245204248	GWSWIBYDUGAKRG-NTZNESFSSA-N	207.317	3.194	0	50	BGAA	
CCCOc1cc(Cl)c(F)cc1F	261494356	VQJJKTQZRXUHOW-UHFFFAOYSA-N	206.619	3.407	0	50	BGAA	
Cc1cc(F)cc(-c2cncc(C(C)(C)O)c2)c1	426422920	NBUFYLHAXSPASV-UHFFFAOYSA-N	245.297	3.424	0	50	BGAA	
COc1cccc(-c2cccc([C@@H](C)OC)c2)n1	426548556	RWLGXTGUHSKWHM-LLVKDONJSA-N	243.306	3.465	0	50	BGAA	
CCCn1nccc1-c1cc(C(C)C)nc(C)n1	426647076	KNKNZOZAVZOPLF-UHFFFAOYSA-N	244.342	3.182	0	50	BGAA	
C[C@H]1CCC(=O)C[C@@H]1OC1CCCCC1	725363011	WMCQHYAITSZOIQ-GWCFXTLKSA-N	210.317	3.093	0	50	BGAA	
CCCc1cc(CN(C)[C@H]2CCC(C)(C)C2)n[nH]1	1857673951	UPHQNEOZQUUGOW-AWEZNQCLSA-N	249.402	3.373	0	50	BGAA	
CSc1ccc(Br)cc1	167168	YEUYZNNBXLMFCW-UHFFFAOYSA-N	203.104	3.171	0	50	BGAA	in-vitro
O=C(O)c1ccc(OCc2cccc(F)c2)cc1	170449	GSTZODCOPHCYCV-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	in-vitro
c1ccc2c(N3CCCCC3)nccc2c1	331450	JBOILZFFYWYWNY-UHFFFAOYSA-N	212.296	3.225	0	50	BGAA	
COC(=O)c1c(C)c(C)c(C)c(C)c1C	390992	OSPXZYFWVBDLIM-UHFFFAOYSA-N	206.285	3.015	0	50	BGAA	
CCC(=O)Nc1nc2ccc(Cl)cc2s1	568691	YDOXHKJIZMSLKL-UHFFFAOYSA-N	240.715	3.298	0	50	BGAA	
C=COC(=O)CCOC[C@@H](CC)CCCC	2166633	FDYRATMNGZMSCO-LBPRGKRZSA-N	228.332	3.296	0	50	BGAA	
CCN(CC)CCCOc1ccc(C)cc1	2493502	NNWVAFDBMZAAAY-UHFFFAOYSA-N	221.344	3.106	0	50	BGAA	
CC(C)CSc1ccccc1C(=O)O	2584162	JYJZOPWGIOPLTC-UHFFFAOYSA-N	210.298	3.133	0	50	BGAA	in-vitro
CCOc1ccc(C(=O)N[C@H](C)C(C)(C)C)cc1	13744471	VIZFCDSUTQTZHE-LLVKDONJSA-N	249.354	3.250	0	50	BGAA	
CO[C@H](C)c1ccc(Br)cc1	14608637	DUCFFBWPWJEFDI-SSDOTTSWSA-N	215.090	3.157	0	50	BGAA	in-vitro
Nc1cc(-c2ccc(Cl)c(Cl)c2)ncn1	65436121	BFICDVHTQOFGHR-UHFFFAOYSA-N	240.093	3.033	0	50	BGAA	
O=Cc1c(F)c(F)cc(Cl)c1Cl	67800192	SWHLYUPJNKOLNI-UHFFFAOYSA-N	210.994	3.084	0	50	BGAA	
CCc1nc(C)cc(-c2ccc3[nH]ccc3c2)n1	67934710	NYRIGJBRFRPGHB-UHFFFAOYSA-N	237.306	3.496	0	50	BGAA	
CC[C@@H](NC(=O)C(C)C)c1ccc(C)cc1	70236935	CNTHUDARVVKTLE-CYBMUJFWSA-N	219.328	3.218	0	50	BGAA	
Cc1cc(Br)cc2c1[C@@H](N)CCC2	238463242	BEIPQWMEYPXKDU-JTQLQIEISA-N	240.144	3.094	0	50	BGAA	
O=C1CCc2ccc(Cl)c(Br)c21	238530206	AISLNDIXESTYSY-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
Clc1ncc(C2CCC2)c(Cl)n1	238569246	CZEUCNRJTBHZHY-UHFFFAOYSA-N	203.072	3.051	0	50	BGAA	
COc1ccc(C(=O)c2ccc(F)cc2)cc1	129402	VWGWRNBIAWTWIB-UHFFFAOYSA-N	230.238	3.065	0	50	BGAA	in-vitro
O=C(O)Cc1ccccc1Sc1ccccc1	136344	JMIYLNQBNSEKAO-UHFFFAOYSA-N	244.315	3.465	0	50	BGAA	in-vitro
COc1ccc(CN2CCCCC2)c(C)c1C	217009	YYOAPEMPIFFHBL-UHFFFAOYSA-N	233.355	3.298	0	50	BGAA	
CCOc1ccc2nc(Cl)sc2c1	1602937	OJRYLNVGOPEAEP-UHFFFAOYSA-N	213.689	3.348	0	50	BGAA	in-vitro
CC(C)CNCc1cccc(Br)c1	5817296	OZSYRXACIOOTAA-UHFFFAOYSA-N	242.160	3.195	0	50	BGAA	
Cc1ccc(Cl)c(OC[C@H]2CCCNC2)c1	12137850	AUVWKCRPRNFWPO-NSHDSACASA-N	239.746	3.027	0	50	BGAA	in-vitro
O=[N+]([O-])/C=C\c1c(Cl)cccc1Cl	16923943	VXNHQIKJDIOBEC-PLNGDYQASA-N	218.039	3.241	0	50	BGAA	
CCc1ccc(OC)c(Br)c1	34165217	VPDXTNZWHRBQJL-UHFFFAOYSA-N	215.090	3.020	0	50	BGAA	
Cc1ccc(-c2n[nH]cc2-c2ncc[nH]2)cc1C	72147373	MYXDTQAAMFAGHN-UHFFFAOYSA-N	238.294	3.084	0	50	BGAA	
Cc1cc(Br)cnc1C(F)(F)F	82049655	CDHLTSVNLJURRD-UHFFFAOYSA-N	240.022	3.171	0	50	BGAA	in-vitro
C[C@H]1C=CC[C@@]23CCc4ccccc4[C@]12C(=O)C3	101139481	YCYIYMHBQASZBV-ZLIFDBKOSA-N	238.330	3.426	0	50	BGAA	
Clc1ccccc1C1=CSC2=NCCN12	102193915	IDPAKJLYDMTKMW-UHFFFAOYSA-N	236.727	3.057	0	50	BGAA	
COc1ccc(O)c(-c2c(C(C)C)n[nH]c2C)c1	426465404	CSCJKAJFXSDZQZ-UHFFFAOYSA-N	246.310	3.223	0	50	BGAA	
CC(C)n1nccc1-c1ccc(CN(C)C)cc1	426521606	ZKEGUANLJCEQCV-UHFFFAOYSA-N	243.354	3.193	0	50	BGAA	
c1nc(CN2CCCC[C@H]2C2CCC2)cs1	585089108	RNPUWMBPJMSNDP-ZDUSSCGKSA-N	236.384	3.298	0	50	BGAA	
CCCCc1ncc(CN(C)CC2CCCC2)[nH]1	670437238	KKZABZRAZKSLCE-UHFFFAOYSA-N	249.402	3.374	0	50	BGAA	
Cc1ccc(C(=O)Nc2cccc(F)c2)cc1	60252	PQRSXKFJFJPAAR-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CCCC(=O)Nc1ccc(C)c(Cl)c1	361709	CMVIYVQUKDZLRB-UHFFFAOYSA-N	211.692	3.387	0	50	BGAA	
CCOc1c(Cl)cc(C=O)cc1Cl	450596	RREIHDZMWHOPJY-UHFFFAOYSA-N	219.067	3.205	0	50	BGAA	
CN(C(=O)NC1CCCCC1)c1ccccc1	615357	GTWGLMQCTTWBSW-UHFFFAOYSA-N	232.327	3.165	0	50	BGAA	biogenic
Cc1ccc(Sc2c[nH]nc2C)cc1	5218242	DCGYKOZKXULLLH-UHFFFAOYSA-N	204.298	3.178	0	50	BGAA	in-vitro
Cc1nc(Cl)cc(NCc2ccccc2)n1	14007744	DQWLCWLYMHHQSL-UHFFFAOYSA-N	233.702	3.051	0	50	BGAA	in-vitro
OCCc1ccc(Oc2ccccc2)cc1	15441187	YCSLOQUADRGUFU-UHFFFAOYSA-N	214.264	3.014	0	50	BGAA	
CCC1=N[C@H](c2ccccc2OC)N(O)C1(C)C	19607604	QYNHGUMKAKHBQV-ZDUSSCGKSA-N	248.326	3.028	0	50	BGAA	
Clc1nccc2ncc(Br)cc12	95642692	JVIVRUOCTAGPAE-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
CC(C)Oc1ccnc(NC2CCCCCC2)n1	164455542	FPWDGABNHYGCJA-UHFFFAOYSA-N	249.358	3.399	0	50	BGAA	
c1csc(-c2nccn2CC2CCOCC2)c1	165119473	BUBPJOPDMVWXGB-UHFFFAOYSA-N	248.351	3.038	0	50	BGAA	
C[C@H](CCCC(C)(C)O)N[C@@H]1CCCC1(C)C	200565515	MJZSRRKJRUSAMW-CHWSQXEVSA-N	241.419	3.484	0	50	BGAA	
Fc1ccc([C@H]2CCN2Cc2cscn2)cc1	215668324	YSAMAYWKCKCLFW-CYBMUJFWSA-N	248.326	3.229	0	50	BGAA	
N[C@@H](CCC1CCCC1)c1cccnc1	228651517	IFSZLRQFMHVLAC-ZDUSSCGKSA-N	204.317	3.052	0	50	BGAA	
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC=CCC1	229521085	JMIXFUHQAGMRJT-UPJWGTAASA-N	221.344	3.038	0	50	BGAA	
CC1=CC[C@@H]2[C@H](C[C@@H]3C[C@@H]32)C(=O)[C@@H]2CC=C[C@H]12	257355568	BJTUNDNVJCZYIV-DEPYFDJDSA-N	228.335	3.370	0	50	BGAA	
O=C(NCCCc1ccccc1)C1CCCCC1	2739018	SNKRIYZXSMDMTH-UHFFFAOYSA-N	245.366	3.316	0	50	BGAA	
CCCCOc1ccc(C(=O)N[C@H](C)CC)cc1	6273752	DPUCHBALQUVVRK-GFCCVEGCSA-N	249.354	3.394	0	50	BGAA	
FC(F)(F)c1ccc(Cl)c(Cl)n1	34331502	XFOQWQKDSMIPHT-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
C[C@H]1CC(=O)c2cc(Cl)c(Cl)cc2O1	39261194	VRBPCXSQRQSCIH-YFKPBYRVSA-N	231.078	3.347	0	50	BGAA	
C[C@]1(CNc2ccnc3ccccc23)CCCO1	94804893	LVKYPRLHBVJKDP-OAHLLOKOSA-N	242.322	3.216	0	50	BGAA	
O=C(O)C1(c2cccc(Cl)c2F)CCCC1	116942468	MFNVCUFOSAXALV-UHFFFAOYSA-N	242.677	3.376	0	50	BGAA	
C[C@@H]1CC[C@@H](c2nc(C3CCCCC3)no2)O1	129161711	AOHNXWFGXOBKFJ-KOLCDFICSA-N	236.315	3.357	0	50	BGAA	
C[C@H]1CC(C)(C)C[C@H]1NCCc1cscn1	192391334	ZCANNTWZCNKBDG-CMPLNLGQSA-N	238.400	3.100	0	50	BGAA	
Cc1cc(-c2ccc(OC(C)C)cc2)[nH]n1	259092822	PHTXSOJDWKXWBB-UHFFFAOYSA-N	216.284	3.172	0	50	BGAA	
OCc1c(Cl)ccc(Cl)c1OC(F)F	263623782	KRBPVSXGOKHLHP-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
Oc1nc2cc(SC(F)(F)F)ccc2o1	396093323	GTWSPCGYDATZNW-UHFFFAOYSA-N	235.186	3.145	0	50	BGAA	
Cc1cc(C)n(-c2nc3ccc(F)cc3s2)n1	1615890637	NAHJZMMXUQGLPA-UHFFFAOYSA-N	247.298	3.238	0	50	BGAA	
O=C(O)c1cccc2c1C1CCC2CC1	1857783147	URUXCHVNFFJTLS-UHFFFAOYSA-N	202.253	3.140	0	50	BGAA	
Cc1ccc(-c2nccn2[C@H](C)C2(O)CC2)s1	1875249712	RYGNOBJIVPIRAX-SNVBAGLBSA-N	248.351	3.006	0	50	BGAA	
FC1(F)[C@H]2CC(N3CCc4ccccc4C3)C[C@@H]21	1875298288	VXSPVNMCMNIODJ-KBPBESRZSA-N	249.304	3.088	0	50	BGAA	
O=C(O)[C@H](c1ccccc1)C1CCCC1	68025	BCJIDGDYYYBNNB-GFCCVEGCSA-N	204.269	3.045	0	50	BGAA	in-vitro
CCc1ccccc1OCCc1c(C)n[nH]c1C	210556	BWZJGOCHQSLYQJ-UHFFFAOYSA-N	244.338	3.210	0	50	BGAA	
Cc1ccnc(NC(=O)Nc2ccccc2)c1	291262	GWDWFQFGUPNAER-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
O=C(Nc1cccc2cccnc12)c1ccco1	360805	YDYBQLDFERHFHY-UHFFFAOYSA-N	238.246	3.080	0	50	BGAA	
CCOc1ccc2c(C)c(Cl)c(=O)oc2c1	449584	BPFFBBWNLNSARX-UHFFFAOYSA-N	238.670	3.154	0	50	BGAA	
CSCc1cccc(C(F)(F)F)c1N	2510257	AWUFEMPPABUXSZ-UHFFFAOYSA-N	221.247	3.151	0	50	BGAA	in-vitro
Cc1nc2c(F)c(F)cc(F)c2s1	21989473	MQLYXCLFKUAMQJ-UHFFFAOYSA-N	203.188	3.022	0	50	BGAA	
CC(C)(C)[C@H]1CCC(Cl)=C(CO)C1	43198777	VPUDFRSNLDVBDN-VIFPVBQESA-N	202.725	3.318	0	50	BGAA	
Oc1ccc2cc(Br)ccc2c1F	85221359	KSOKMKCLAWKUAK-UHFFFAOYSA-N	241.059	3.447	0	50	BGAA	
Cc1cc(Cl)c(Cl)cc1/C=C/C(=O)O	144864595	HYONGMUZPOUOFN-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
C1=CC[C@H](CN(Cc2nccs2)C2CC2)CC1	215490435	JSGDCXXYXBHPDL-LBPRGKRZSA-N	248.395	3.464	0	50	BGAA	
COc1ccnc(-c2cccc([C@H](C)OC)c2)c1	426623351	RNJTVLFRFMTJHL-NSHDSACASA-N	243.306	3.465	0	50	BGAA	
CCN[C@@H](C)Cc1cccc(C(F)(F)F)c1	294	DBGIVFWFUFKIQN-VIFPVBQESA-N	231.261	3.246	0	50	BGAA	biogenic,world
CCC(C)(C)C(=O)Nc1cccc(C)c1	30647	JCKLWOLAWBIGBB-UHFFFAOYSA-N	205.301	3.370	0	50	BGAA	
Cc1cccc(C)c1OC(=O)c1ccco1	129224	BFLMWSOQFNEZTQ-UHFFFAOYSA-N	216.236	3.116	0	50	BGAA	
CC(C)c1ccc(/C=C/C(=O)NC2CC2)cc1	475226	GJGAYRJHLQZUCL-BJMVGYQFSA-N	229.323	3.102	0	50	BGAA	
Cc1ccc2nc(-c3ccccc3)c(C=O)n2c1	1527689	UMZURMUNTPASCP-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	
O=C(O)c1cc2cc(Cl)cc(Cl)c2[nH]1	2582693	QILAXMNESNFYJG-UHFFFAOYSA-N	230.050	3.173	0	50	BGAA	in-vitro
Cc1ccc(CCN(N=O)c2ccccc2)cn1	3877338	SKNOPZXFJAYMOM-UHFFFAOYSA-N	241.294	3.121	0	50	BGAA	
O=C(c1cc(Cl)c[nH]1)C(Cl)(Cl)Cl	4218235	UKLOTOWQAZVCIS-UHFFFAOYSA-N	246.908	3.221	0	50	BGAA	
O=C(O)/C=C1\CCC[C@@H](Cc2ccccc2)C1	4528987	MBKVPZSREIQTCY-UQRISPGASA-N	230.307	3.430	0	50	BGAA	
Cc1ccc(Cl)c(OCCN2CCCC2)c1	5024294	NTODSXRHYLDWOY-UHFFFAOYSA-N	239.746	3.123	0	50	BGAA	
CC(C)c1ccc([C@H](C)CC(=O)O)cc1	11628743	YGRKCYCSSBZHGL-SNVBAGLBSA-N	206.285	3.388	0	50	BGAA	in-vitro
CCC1=N[C@H](c2ccc(OC)cc2)N(O)C1(C)C	19607427	YNEUIPVIYCOYII-ZDUSSCGKSA-N	248.326	3.028	0	50	BGAA	
CC(=O)c1cccc(-c2cccc(C)n2)c1	65417457	GGIAQOCEEFGFRB-UHFFFAOYSA-N	211.264	3.260	0	50	BGAA	
C[C@@H]1[C@@H](C)C1(Cl)[S@@](=O)c1ccccc1	95627060	DRPZLGXYIYMOSV-RFXMVYNHSA-N	228.744	3.015	0	50	BGAA	
CC1(C)[C@@H]2C=C(c3ccccc3)[C@@]1(C)C[C@H]2O	100970760	GEYMRTRRDLCIEX-IIAWOOMASA-N	228.335	3.497	0	50	BGAA	
CC[C@@H](NCCCF)c1ccccc1F	134593403	OADYWCLILLTWAF-GFCCVEGCSA-N	213.271	3.226	0	50	BGAA	
CN(C)Cc1cc(Br)ccc1Cl	217528202	MPMUIHRVXXDPLW-UHFFFAOYSA-N	248.551	3.164	0	50	BGAA	
CCOC(=O)c1cc(Cl)cc(C)c1Cl	263622884	BRRWXTUZQVYFFX-UHFFFAOYSA-N	233.094	3.479	0	50	BGAA	
C[C@@]1(NC(=O)C2CC3(CCC3)C2)CC=CCC1	335347470	XKANSKPEZSKVCA-CQSZACIVSA-N	233.355	3.182	0	50	BGAA	
Cc1c(Cl)cccc1CNC(=O)[C@H]1CC12CC2	426494303	NTHLMRYGVVTHRD-LLVKDONJSA-N	249.741	3.065	0	50	BGAA	
O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@@H]2CCCC[C@@H]21	621207196	JRZWIXQWIWPDQC-SBJFKYEJSA-N	247.382	3.214	0	50	BGAA	
CCc1cnc(C)nc1NCc1sccc1C	1529125040	FTKXKDMANHLQKR-UHFFFAOYSA-N	247.367	3.329	0	50	BGAA	
Cc1cccc(C(=O)N(C)c2ccccc2)c1	271436	HCQQGTYHBGXRTR-UHFFFAOYSA-N	225.291	3.272	0	50	BGAA	
COc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1	300897	OLXZTVLJOVOAII-CHWSQXEVSA-N	245.322	3.070	0	50	BGAA	
CC(=O)Nc1ccccc1NC(=O)CC(C)(C)C	311113	BSJWXTFSCUFKFF-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
O=C(O)Cc1ccccc1-c1cccc(F)c1	1258229	BFGLWNMRGCKEOE-UHFFFAOYSA-N	230.238	3.120	0	50	BGAA	in-vitro
CN(C)C1c2ccccc2-c2ccccc21	1662425	YGSBKTJPXNJTKL-UHFFFAOYSA-N	209.292	3.318	0	50	BGAA	
CC(C)OC(=O)C12CC3CC(CC(C3)C1)C2	4159356	PHSXMXGYVSYRPF-UHFFFAOYSA-N	222.328	3.154	0	50	BGAA	
CCC[C@]1(c2cccc(OC)c2)C[C@H](C)N(C)C1	5560985	FQHBZOZTHKHSBP-BBRMVZONSA-N	247.382	3.457	0	50	BGAA	
Cc1ccccc1CC(=O)N[C@@H](C)C(C)(C)C	6742040	ZBNIACOKKWIVAY-LBPRGKRZSA-N	233.355	3.088	0	50	BGAA	
Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)no1	7842952	XBPNYUDPKQZQEC-UHFFFAOYSA-N	244.294	3.359	0	50	BGAA	
Cc1ccccc1CNc1cccc(C(=O)O)c1	19094227	PVDRLRJHLMCNFO-UHFFFAOYSA-N	241.290	3.305	0	50	BGAA	
CC(C)(C)[C@@H]1CCc2ccccc2C1=O	32189107	UEAGJMQDBXPLBZ-GFCCVEGCSA-N	202.297	3.478	0	50	BGAA	
CCCCOC(=O)N1CCC[C@H]1c1ccccn1	72165889	GKKGGNWTECRFEC-ZDUSSCGKSA-N	248.326	3.155	0	50	BGAA	
O=C(O)c1ccc(-c2ncccc2Cl)cc1	83428729	YXOZZKJQJWMPON-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
Fc1c(Br)ccc2cc[nH]c12	89209113	DRRUCEJALUGDQR-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
CCCSc1ncc(C(F)(F)F)cc1O	261494490	YVLNKALBXXWXJD-UHFFFAOYSA-N	237.246	3.308	0	50	BGAA	
C[C@@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccccc1	241210	VTBRAQMXYIIONS-MRUDHYOASA-N	243.350	3.489	0	50	BGAA	
Fc1ccc(Cl)cc1Br	404103	YFFUYGSLQXVHMB-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	in-vitro
O=C(Nc1ccncc1)c1cccc2ccccc12	407972	OKOUVXZHGBZILV-UHFFFAOYSA-N	248.285	3.487	0	50	BGAA	
CC(=O)Nc1ccc(SC(F)(F)F)cc1	451496	DUMCOIAQPRRZFM-UHFFFAOYSA-N	235.230	3.257	0	50	BGAA	
Cc1nc2c([nH]c3ccc(F)cc32)s1	558686	DKRHKGYCJCDPRW-UHFFFAOYSA-N	206.245	3.225	0	50	BGAA	
CCC(=O)c1ccc(OC(=O)C(C)(C)C)cc1	5428356	CZDYREYTQIPCTK-UHFFFAOYSA-N	234.295	3.231	0	50	BGAA	in-vitro
CC[C@H](C)NC(=O)c1ccc(O[C@H](C)CC)cc1	10291001	VMGCUMAXMPPSGD-NWDGAFQWSA-N	249.354	3.392	0	50	BGAA	
COc1cc2cccc(Br)c2cn1	47818636	PKOWJHRDTZPIHB-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
Fc1cc2cnccc2cc1Br	114105519	SEHPXAKLMRODLS-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
CC(C)Oc1ccc(O)c(Cl)c1Cl	261493671	GVDDLKCXQMFYJV-UHFFFAOYSA-N	221.083	3.486	0	50	BGAA	
Cc1ccc(-c2cnnn2C2CC2)cc1Cl	2325772991	FNIQJQVKUDWHCX-UHFFFAOYSA-N	233.702	3.242	0	50	BGAA	
Cc1occc1C(=O)N1CCCc2ccccc21	46837	XTXKHUZLTLYTSO-UHFFFAOYSA-N	241.290	3.181	0	50	BGAA	
CC(C)c1ccccc1NC(=O)c1cccnc1	311888	WJXAGTBMGIGRJO-UHFFFAOYSA-N	240.306	3.457	0	50	BGAA	
Clc1cnc(Br)c(Cl)c1	330752	QCKPJWDIDCGQRB-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
CC(=O)Sc1ccc2ccccc2c1	403596	NMFMUXYHGNUOAI-UHFFFAOYSA-N	202.278	3.478	0	50	BGAA	
FC(F)(F)c1ccc(Cl)nc1Cl	2168611	UPWAAFFFSGQECJ-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
CCCC[C@H]1OC[C@H](c2ccccc2)O1	3075532	VCHONKRHHVVDLP-OLZOCXBDSA-N	206.285	3.291	0	50	BGAA	
Cc1cc(C(=O)Nc2cccc(F)c2)cs1	13325612	PRMPYXJJCQCXHG-UHFFFAOYSA-N	235.283	3.448	0	50	BGAA	
CN(Cc1ccccc1)c1ccc(C=O)cc1	20078999	GIKGOYYFLICJFL-UHFFFAOYSA-N	225.291	3.136	0	50	BGAA	
CC(C)(C)OC(=O)c1cccc(Cl)c1	36477317	BNZMKPCWUHXVJW-UHFFFAOYSA-N	212.676	3.295	0	50	BGAA	
CCC[C@H](C)NC(=O)c1ccc(C)cc1C	42141286	BPYQYEJBSIATQG-LBPRGKRZSA-N	219.328	3.222	0	50	BGAA	
c1ccc2c(c1)CCn1c-2nc2ccccc21	1772493166	OBPYIROAMHNJMP-UHFFFAOYSA-N	220.275	3.259	0	50	BGAA	
Cc1cccc(CNc2ccc3c(c2)OCO3)c1	280169	UMYYTLHQCADPAU-UHFFFAOYSA-N	241.290	3.336	0	50	BGAA	
c1ccc(-c2cnnc(-c3ccccc3)n2)cc1	336382	SZRLHQBBFQOVRY-UHFFFAOYSA-N	233.274	3.206	0	50	BGAA	
CC(=O)c1ccc(N2CCCCCC2)c(F)c1	377258	WJTOLWYDSXKUOC-UHFFFAOYSA-N	235.302	3.409	0	50	BGAA	
Cc1cc(CCCc2ccccc2)on1	398508	ZQUPGHRTOHFQIN-UHFFFAOYSA-N	201.269	3.158	0	50	BGAA	
C[C@@H](Nc1ccccc1)n1nnc2ccccc21	403165	HLIOCSMHAVCKMV-NSHDSACASA-N	238.294	3.062	0	50	BGAA	
Cc1ccccc1-c1cccc(CC(=O)O)c1	1257773	MBCVVFMOLIMBHJ-UHFFFAOYSA-N	226.275	3.289	0	50	BGAA	in-vitro
Cc1cccc(OCCCCCn2ccnc2)c1	2493396	MGRHNVRMNBVYCG-UHFFFAOYSA-N	244.338	3.441	0	50	BGAA	
Cc1occc1C(=O)Nc1cccc(Cl)c1	2742443	ZVHDBKRCTCEAID-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
Cc1cccn2cc(CNc3ccccc3)nc12	3105440	VRFFRUWZLFHPAD-UHFFFAOYSA-N	237.306	3.255	0	50	BGAA	aggregator
CCN(CC)C(=O)Nc1c(C)cc(C)cc1C	4840706	REBZVRPWEZUGPY-UHFFFAOYSA-N	234.343	3.486	0	50	BGAA	
CCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1	13646089	DXYUCOVDKUWMLS-GFCCVEGCSA-N	233.355	3.125	0	50	BGAA	
COC(=O)c1cscc1-c1ccccc1	15020983	AJMHUFVILVTYTG-UHFFFAOYSA-N	218.277	3.202	0	50	BGAA	in-vitro
Clc1ncc2ccc(Br)cc2n1	35270054	LEVIQMAFISIVMA-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
C[C@H](Cc1ccccn1)N(C)Cc1ccccc1	65506168	HDERLWJRYGZXJF-CQSZACIVSA-N	240.350	3.145	0	50	BGAA	
CCc1ccccc1-c1ncnc2[nH]ccc12	67789585	MLJCPFFGMJJTIJ-UHFFFAOYSA-N	223.279	3.187	0	50	BGAA	
COC(=O)C1(c2ccc(Cl)c(Cl)c2)CC1	97756854	YPZHYWIMIAFVGN-UHFFFAOYSA-N	245.105	3.198	0	50	BGAA	
COC(=O)Cc1cc(C)cc(Cl)c1Cl	263622793	AYBIMXURAXVFJT-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
O=C(Nc1ccccc1)N1CCCCC12CC2	1201953619	QAYNMCXYYULRBE-UHFFFAOYSA-N	230.311	3.237	0	50	BGAA	
ClC1(Cl)C[C@@H]1Cn1cnc2ccccc21	462850	FBNDWKBWMYAYLR-MRVPVSSYSA-N	241.121	3.230	0	50	BGAA	
C/C(=C\c1ccccc1)C(=O)NC1CCCC1	4603314	HHJZFRKWEGSMNC-VAWYXSNFSA-N	229.323	3.149	0	50	BGAA	
CCN1CCC[C@H](Nc2ccc(C)c(C)c2)C1	12319890	LUDICEYUDZYRAF-HNNXBMFYSA-N	232.371	3.200	0	50	BGAA	
CCC(=O)c1ccc(C)cc1Br	49820615	ZCQPLHJQGPEELZ-UHFFFAOYSA-N	227.101	3.350	0	50	BGAA	
Cc1cc(C)nc(NC(=O)OC(C)(C)C)c1	71773609	VTOQKBTVQSCALH-UHFFFAOYSA-N	222.288	3.045	0	50	BGAA	
CSC[C@@H](C)N[C@H](C)c1ccsc1	133999938	ARNVVDWHHHAUQK-RKDXNWHRSA-N	215.387	3.150	0	50	BGAA	
N[C@H](c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1	162185200	QKBBLALGXODMEM-BZUAXINKSA-N	223.319	3.490	0	50	BGAA	
Cc1cc(Br)c(C=O)cc1Cl	238456788	HYFWTALXUZHXHJ-UHFFFAOYSA-N	233.492	3.223	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Nc2cccnc2)s1	335730365	OCXJDZBTSLHCNX-UHFFFAOYSA-N	233.296	3.096	0	50	BGAA	
CCc1cnc(-c2ccc3c(c2)CCN3)s1	888096053	QGVIVXSHIAOZQP-UHFFFAOYSA-N	230.336	3.341	0	50	BGAA	
OCc1cnc(-c2cc3cccc(F)c3o2)s1	1875340015	IGBPUIYQCSUAQQ-UHFFFAOYSA-N	249.266	3.188	0	50	BGAA	
Cc1cc(Br)cc(C)c1F	2379319	ZXPHUVHMBKRRJF-UHFFFAOYSA-N	203.054	3.205	0	50	BGAA	in-vitro
N[C@@H](Cc1ccccc1)c1cc2ccccc2[nH]1	2545436	CYPAYHLZVBWGSA-AWEZNQCLSA-N	236.318	3.410	0	50	BGAA	in-vitro
COc1c(Br)ccc(C)c1Cl	65337299	GJOCQLILGIJCOR-UHFFFAOYSA-N	235.508	3.420	0	50	BGAA	in-vitro
N#CNc1nccc(-c2ccc3ccccc3c2)n1	71385330	YKFOOVFSCZZYRO-UHFFFAOYSA-N	246.273	3.190	0	50	BGAA	
Oc1cc(C(F)(F)F)ccc1C(F)(F)F	95616294	OJOPQGWFLQVKDU-UHFFFAOYSA-N	230.107	3.430	0	50	BGAA	in-vitro
Cc1ccc(CN2CC(c3cccnc3)C2)s1	97638090	BHGDWKRWAXTNQM-UHFFFAOYSA-N	244.363	3.051	0	50	BGAA	
Fc1cc(Oc2ncccn2)ccc1Cl	120625061	QBLSNEQXEHXQKX-UHFFFAOYSA-N	224.622	3.061	0	50	BGAA	
CCC[C@@H]1OC[C@@]2(CO)[C@@H](C)C=C(C)[C@H]1[C@@H]2C	239275020	BCAUUCDDNVFSTF-YTFOTSKYSA-N	238.371	3.012	0	50	BGAA	
Cc1ncsc1CN[C@H](C)C1=CCCCC1	888099307	ZAHSUOOKLOQWER-SNVBAGLBSA-N	236.384	3.430	0	50	BGAA	
Cc1nc(CN[C@@H](C)C2=CCCCC2)n(C)c1C	952980272	VVBZCORFMJPTID-LBPRGKRZSA-N	247.386	3.015	0	50	BGAA	
O=C1C[C@@H](c2ccc(O)cc2)Oc2ccccc21	57922	ZLHVIYHWWQYJID-HNNXBMFYSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vivo
c1ccc2c(c1)Nc1nc3ccccc3nc1O2	161597	DVVDOLPZDYBCBZ-UHFFFAOYSA-N	235.246	3.479	0	50	BGAA	
CC(=O)Oc1c(C)cc(C)c2ccc(C)nc12	194589	KVNPQWQKDREYDW-UHFFFAOYSA-N	229.279	3.085	0	50	BGAA	
O=C1N[C@H](c2ccccc2)[C@H](c2ccccc2)O1	396151	LTENIVFVXMCOQI-KGLIPLIRSA-N	239.274	3.209	0	50	BGAA	
CC(=O)c1ccccc1-c1ccccc1C(=O)O	480975	LAKIIUIJLUMDHS-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	
Cc1n[nH]c(C)c1CCCOc1ccc(F)cc1	2486284	QUKUTVLUNIHTJQ-UHFFFAOYSA-N	248.301	3.177	0	50	BGAA	
Cc1ccc(CNC(=O)c2cccc(F)c2)cc1	2989355	YWGZHKVRDKVBLT-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
C[C@H](NC(=O)C(C)(C)C)c1ccc(F)cc1	12989038	XINZZXUOSBKXGD-VIFPVBQESA-N	223.291	3.049	0	50	BGAA	
O=C(Cc1cccc(F)c1)c1cc(F)ccc1O	113214197	BOFZSKWOUJCXNI-UHFFFAOYSA-N	248.228	3.096	0	50	BGAA	in-vitro
Cc1cc(Br)ncc1C(F)F	238475364	HIRUAJRWGFRMFJ-UHFFFAOYSA-N	222.032	3.090	0	50	BGAA	
CCc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1	239235885	WXSXTSAVYJRTHI-SUNKGSAMSA-N	231.339	3.082	0	50	BGAA	
Cc1cscc1-c1ccc(C(=O)NC2CC2)o1	426615236	ZJVVMBOVMVAXOI-UHFFFAOYSA-N	247.319	3.209	0	50	BGAA	
O=C(O)c1ccsc1C1=CCCCC1	698622663	FAMXPKVCNQQZDG-UHFFFAOYSA-N	208.282	3.404	0	50	BGAA	
O=C1Cc2cccc(-c3ccc(F)cc3F)c2N1	1239676982	FXINWYQLHQRCJU-UHFFFAOYSA-N	245.228	3.126	0	50	BGAA	
C=CC(=O)N[C@H]1c2ccccc2CCC1(C)C	1776000171	JGRVQJFLRGVERL-AWEZNQCLSA-N	229.323	3.002	0	50	BGAA	
C[C@H](NC(=O)Nc1ccccc1)C(C)(C)C	409083	PTQNBNCQROZXEL-JTQLQIEISA-N	220.316	3.243	0	50	BGAA	
CCCCOC(=O)Nc1ccccc1C	2166594	VCJFPEAPINEXTK-UHFFFAOYSA-N	207.273	3.344	0	50	BGAA	
CCCC[C@H](CC)C(=O)Nc1nnc(C)s1	2863888	PYCNLXKOEBCGDU-VIFPVBQESA-N	241.360	3.001	0	50	BGAA	
COc1ccc(NC(=O)C(C)(C)C)cc1Cl	3279630	DMEUNHDXAPDYBC-UHFFFAOYSA-N	241.718	3.333	0	50	BGAA	
Cc1ccc(F)cc1NC(=O)c1cccs1	4842633	UXGXOUNJMLBQLP-UHFFFAOYSA-N	235.283	3.448	0	50	BGAA	
CC[C@H](N)c1cc(Cl)ccc1Cl	14987521	QDTICOAVVMENTI-VIFPVBQESA-N	204.100	3.403	0	50	BGAA	in-vitro
Oc1ccccc1OCCc1ccccc1	19088274	RCEILIWEQZAHER-UHFFFAOYSA-N	214.264	3.014	0	50	BGAA	in-vitro
Cc1ccc2nc(Cl)nc(Cl)c2c1	26899353	VZDVVLXYAOVNRW-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	in-vitro
O=C(O)/C=C1\CCCC[C@H]1c1ccccc1	62572107	DCESOIYNTQELMW-XSNHNAGMSA-N	216.280	3.355	0	50	BGAA	
CCC/C=C/c1cccc(-n2cnnc2)c1	67909525	XBPOMIRLGBRAOY-GQCTYLIASA-N	213.284	3.081	0	50	BGAA	
CC(C)(CC(=O)O)Sc1ccccc1	71774215	VXSMJPWCQHZRHI-UHFFFAOYSA-N	210.298	3.032	0	50	BGAA	
COc1cccc(OCCc2ccncc2C)c1	91644834	QBWOZEFZTAMMNQ-UHFFFAOYSA-N	243.306	3.020	0	50	BGAA	
Oc1c(F)cccc1OCc1ccccc1	117041561	LVBVXYZBEVCJJQ-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	
O=Cc1cc(OC(F)F)c(Cl)cc1Cl	263623083	DMNDQSSDXKQAAE-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
Cc1cc(F)cc(-c2noc([C@H]3CCCO3)n2)c1	273639705	BTMXEUJABJBSJR-LLVKDONJSA-N	248.257	3.036	0	50	BGAA	
C=CC(=O)N(C)Cc1oc2c(C)cccc2c1C	863971520	XBPIFABIFHJNDC-UHFFFAOYSA-N	243.306	3.194	0	50	BGAA	
Cc1ccc(-c2cnc3cc(F)ccc3c2)nn1	1857736341	POCWFEDOSSNIPM-UHFFFAOYSA-N	239.253	3.139	0	50	BGAA	
Cc1ccccc1NC(=O)COc1ccccc1	349242	HDXOXQGGFBZOKQ-UHFFFAOYSA-N	241.290	3.013	0	50	BGAA	
COC(=O)c1ccc(Oc2ccccc2)cc1	360764	XMXLYEKPSHVLKD-UHFFFAOYSA-N	228.247	3.266	0	50	BGAA	in-vitro
C[C@H]1CCCCN1C(=O)Nc1cccc(F)c1	400189	RPFQYIQKBZDRAN-JTQLQIEISA-N	236.290	3.232	0	50	BGAA	
Cc1cc2ncn(CC(C)C)c2cc1C	616907	AWAHGNMRURYVPD-UHFFFAOYSA-N	202.301	3.309	0	50	BGAA	
Cc1cccc(-c2noc(-c3ccncc3)n2)c1	2885262	ZCADYFNQMKFANR-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
CC[C@H](C(=O)N(CC)CC)c1ccccc1	5476377	MKMAIDOENHTYNN-ZDUSSCGKSA-N	219.328	3.049	0	50	BGAA	in-vitro
CNCc1ccccc1OCc1ccc(C)cc1	6746707	VIAURXGISWJIAK-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	
O=C(O)c1cc(F)cc(-c2cccc(F)c2)c1	47204153	IMLKBLKBVVRJIG-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
N[C@@H](c1cccc2ccccc12)C(F)(F)F	72194953	OOXZTNKNQVNTBV-NSHDSACASA-N	225.213	3.402	0	50	BGAA	in-vitro
N=C1c2ccccc2CN1c1ccccc1	100123213	LCQFABGPQKTVPJ-UHFFFAOYSA-N	208.264	3.032	0	50	BGAA	
CC1=CC[C@@H]2C(=O)[C@@H]3CC=C(C)C[C@@H]3C(=O)[C@H]2C1	101092507	FKWPSQNJQRPFBK-CRWXNKLISA-N	244.334	3.083	0	50	BGAA	
Nc1ccc2scc(Br)c2c1	212193936	IIBSNWCQSOIJIO-UHFFFAOYSA-N	228.114	3.246	0	50	BGAA	
Cc1occ(-c2cccc(F)c2)c1C(=O)O	725246565	PNCSQJRZQDQITP-UHFFFAOYSA-N	220.199	3.092	0	50	BGAA	
Cc1ccc(-c2ccc(C(C)C)cc2)c[n+]1[O-]	1875313520	ORICQKORIGMQAT-UHFFFAOYSA-N	227.307	3.419	0	50	BGAA	
Nc1cccc(-c2cc3ccccc3oc2=O)c1	122891	RHAQPESVLRVQJU-UHFFFAOYSA-N	237.258	3.042	0	50	BGAA	biogenic
Nc1cccc(NC(=O)c2cccc(Cl)c2)c1	123078	KGAYYFPEUVSJQJ-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
Fc1cccc(NC(=S)NC2CCCC2)c1	314913	PRZREXDLPIPWIX-UHFFFAOYSA-N	238.331	3.055	0	50	BGAA	
CCc1ccc(NC(=O)c2ccccc2N)cc1	364634	VSRZMOHTAFADKL-UHFFFAOYSA-N	240.306	3.084	0	50	BGAA	
CC(C)CNC(=O)Nc1ccc(Cl)cc1	392859	ZNXSKFPVIXZNAU-UHFFFAOYSA-N	226.707	3.118	0	50	BGAA	
Oc1ccc2cc(Br)ccc2c1	404315	YLDFTMJPQJXGSS-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	biogenic,in-vitro
Oc1ccc(Cc2ccc(Cl)cc2)c(O)c1	1712744	MJYNBOVNNIZYEI-UHFFFAOYSA-N	234.682	3.342	0	50	BGAA	
O[C@H](CCc1ccccc1)c1ccccc1	2046745	YVRQODFKFKHCPI-OAHLLOKOSA-N	212.292	3.353	0	50	BGAA	biogenic,in-vitro
COc1ccc(C(=O)c2cccc(F)c2)cc1	2574664	MNNPLRRABKSPDN-UHFFFAOYSA-N	230.238	3.065	0	50	BGAA	in-vitro
OC(c1ccccc1)(c1ccccc1)C(F)F	3097782	VXEVTIROYPQINO-UHFFFAOYSA-N	234.245	3.188	0	50	BGAA	
Cc1ccc(NC2=NC[C@@H](C)S2)cc1C	3103163	XMWSNCNEOLYQRL-SNVBAGLBSA-N	220.341	3.207	0	50	BGAA	
CC(C)NC/C=C/c1ccc(Cl)cc1	10436301	JMWRJZWVKZCRNZ-ONEGZZNKSA-N	209.720	3.351	0	50	BGAA	
CCCCNC(=O)c1ccc(OCC(C)C)cc1	10471949	NZKNQAGDLPTGFM-UHFFFAOYSA-N	249.354	3.251	0	50	BGAA	
Cc1cc(Cl)cc(C(=O)O)c1Cl	36532839	BKNLUUIVGULQEY-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	
Fc1cc(Br)cc(F)c1S	36533001	IRSLULXVIKGHBM-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
FC(F)(F)C(F)(F)c1ccncc1Cl	169677474	RMNYIIRMELWLLC-UHFFFAOYSA-N	231.551	3.389	0	50	BGAA	
CC[C@@H](C)CN(C)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2	225420220	QABPKNDRUSPAMC-ZOBORPQBSA-N	237.387	3.317	0	50	BGAA	
C1=C[C@H]2C[C@H]1[C@@H](CCNCc1ccccc1)C2	408525460	QZPAFTNIEQIBGQ-JYJNAYRXSA-N	227.351	3.379	0	50	BGAA	
CCOc1ccccc1NC(=O)c1ccc(C)o1	60912	VIQGUIIKAGURBP-UHFFFAOYSA-N	245.278	3.239	0	50	BGAA	
COc1ccc(NCc2cccnc2)cc1Cl	211257	RHOVFEXGLYSZKK-UHFFFAOYSA-N	248.713	3.356	0	50	BGAA	
CC(C)(C)c1ccc([C@H]2C[C@@H]2C(=O)O)cc1	372164	ANPQFLQUUUWDQU-NEPJUHHUSA-N	218.296	3.172	0	50	BGAA	in-vitro
CC(=O)c1cccc(NC(=O)C2CCCC2)c1	461261	BVNNWIRVMLGTIF-UHFFFAOYSA-N	231.295	3.018	0	50	BGAA	
Cc1ccc(SC(F)(F)F)cc1N	2540379	XHRPPIJDEOBMBT-UHFFFAOYSA-N	207.220	3.189	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Cc2cccc(F)c2)cc1	4858713	JRQVMVHPJUTRLT-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
CCOc1ccc(C(C)(C)C)cc1C=O	5653795	GTGVFOSPXJNMIQ-UHFFFAOYSA-N	206.285	3.195	0	50	BGAA	
O=C(NCCc1cccs1)Nc1ccccc1	6702890	OAQLJJUTVIXNMB-UHFFFAOYSA-N	246.335	3.112	0	50	BGAA	
Cc1ccccc1-c1ccc(C(=O)O)cc1F	43578255	OHTLOVZYMOLAMY-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	
Fc1ccc(Br)c(S)c1F	71792162	ZPQICXKNLXMLQC-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2	101565760	IDFUIUBXUVJXME-OUJBWJOFSA-N	233.286	3.200	0	50	BGAA	
O=C(O)c1c(C(F)F)cccc1C(F)F	148597977	CGDQXHCGTDBEBL-UHFFFAOYSA-N	222.137	3.260	0	50	BGAA	
C[C@H](C1CC1)N(C(=O)C1[C@@H]2CCCC[C@@H]12)C1CC1	230275862	QFJCADYEHNWKAS-LERXQTSPSA-N	247.382	3.212	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C	239412570	SWJCUHSGJNXCLQ-VOAKCMCISA-N	237.387	3.364	0	50	BGAA	
CCOC(=O)c1ccc2cc(C)ccc2c1O	261322566	KXNHPNIEZZKFAM-UHFFFAOYSA-N	230.263	3.031	0	50	BGAA	
CC(=O)N1c2ccccc2C(C)(C)C[C@H]1C	356030127	RTBTYMHFCYWBEV-SNVBAGLBSA-N	217.312	3.109	0	50	BGAA	
CC(C)c1cc(N)ccc1C(F)(F)F	694956037	XUBUJCWINUQBDS-UHFFFAOYSA-N	203.207	3.411	0	50	BGAA	
CC(C)(F)c1ccc(Br)cn1	725327984	BJFXFQSFROTRGQ-UHFFFAOYSA-N	218.069	3.049	0	50	BGAA	
CC(C)n1ccnc1-c1cccc(O)c1Cl	1875248391	OESWIYHHRFNCEZ-UHFFFAOYSA-N	236.702	3.490	0	50	BGAA	
Cc1coc2cc3oc(=O)cc(C)c3cc12	128253	AGHQLFRJTDLUFW-UHFFFAOYSA-N	214.220	3.156	0	50	BGAA	biogenic
C[C@@H](CC(=O)Nc1ccncc1)c1ccccc1	318510	VUPPWOJQLPSRPQ-LBPRGKRZSA-N	240.306	3.214	0	50	BGAA	
CCCC(=O)OC(C)(C)Cc1ccccc1	410079	SHSGYHAHMQLYRB-UHFFFAOYSA-N	220.312	3.351	0	50	BGAA	endogenous,in-man
CCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1	441638	BOYNOHUOCQDZKH-DHZHZOJOSA-N	231.339	3.133	0	50	BGAA	
Cc1cc(C)c(/C=C2/C(=O)Nc3ccccc32)[nH]1	3834201	WUWDLXZGHZSWQZ-XYOKQWHBSA-N	238.290	3.124	0	50	BGAA	
CCC(=O)Nc1c(C)cccc1C(C)C	5524228	HPCSHAXAMGABKD-UHFFFAOYSA-N	205.301	3.467	0	50	BGAA	
Cc1cc(Br)nc2ccccc12	13283054	KZACHCSEYVSCEE-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
FC(F)(F)c1ccc(-c2ncc[nH]2)cc1	34566242	SWDKWZQLMUSLRH-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	in-vitro
Cc1ccccc1-c1ccc(F)c(C(=O)O)c1	38068157	TUNJTSTYANJLBF-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Oc1cncc(-c2ccccc2C(F)(F)F)c1	65339425	QOFDVVAQFNYDFY-UHFFFAOYSA-N	239.196	3.473	0	50	BGAA	in-vitro
Cc1ccc(C(=O)NCCC(C)C)c(Cl)c1	71375923	JJUJLENRPJLZRP-UHFFFAOYSA-N	239.746	3.424	0	50	BGAA	
Fc1ccc(OC(F)(F)F)cc1Cl	95215628	AFZHXCZNVAQUFH-UHFFFAOYSA-N	214.545	3.378	0	50	BGAA	
CN(C(=O)C(F)(F)F)[Si](C)(C)C(C)(C)C	169743122	QRKUHYFDBWGLHJ-UHFFFAOYSA-N	241.329	3.012	0	50	BGAA	in-vitro
CC(=O)Nc1ccccc1OCc1cccs1	170595243	MHQSBFMIZKAKCQ-UHFFFAOYSA-N	247.319	3.286	0	50	BGAA	
Cc1ccccc1CCCN1C[C@H]2CCC[C@H]21	230169098	XYXKFEYDRKZHGA-HZPDHXFCSA-N	229.367	3.412	0	50	BGAA	
CC(C)(C)c1noc([C@@H]2[C@H]3CCCC[C@H]32)n1	252513881	ANNKPCGMSFVGSO-MYJAWHEDSA-N	220.316	3.271	0	50	BGAA	
O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCc2ccccc21	266704425	HAMKOZVQONOKLK-NHAGDIPZSA-N	241.334	3.012	0	50	BGAA	
CC(C)(C)OC(=O)N1CC(Cc2ccccc2)C1	602993681	UWQBJQUICYNBMP-UHFFFAOYSA-N	247.338	3.096	0	50	BGAA	
C1=CC[C@H](c2nccn2Cc2cscn2)CC1	1875243886	CDSLTFDMEIYGBF-NSHDSACASA-N	245.351	3.212	0	50	BGAA	
O=C1C[C@H](c2ccc(O)cc2)Oc2ccccc21	57923	ZLHVIYHWWQYJID-OAHLLOKOSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vitro
C[C@H]1CCC[C@H](NC(=O)c2ccccc2F)C1	390014	NDNWNFDBNWNMQG-QWRGUYRKSA-N	235.302	3.134	0	50	BGAA	
Cc1[nH]c(C(=O)OCc2ccccc2)c(C)c1C	396724	HCNZAGJJEVQXNV-UHFFFAOYSA-N	243.306	3.297	0	50	BGAA	
COC(=O)c1ccccc1-c1cccc(F)c1	1256998	YVMBRWHCERIKIW-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
CC[C@H](C)C(=O)Nc1cc(Cl)ccc1OC	2966613	KWYPOOKIHKRMQW-QMMMGPOBSA-N	241.718	3.333	0	50	BGAA	
c1cncc(CNc2ccc3c(c2)CCC3)c1	5394892	SSEMAFCPUJJMQZ-UHFFFAOYSA-N	224.307	3.182	0	50	BGAA	
CC[C@H](C)Oc1c(Cl)cc(C=O)cc1OC	5656382	MCQWSEMSJCICFW-QMMMGPOBSA-N	242.702	3.338	0	50	BGAA	
OCc1ccccc1Oc1ccc(F)c(F)c1	5945971	FVUVGZDCRKTCBH-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
CC(C)c1cc(C(=O)Nc2ccon2)cs1	12382886	MXLVQVBOJXBUKF-UHFFFAOYSA-N	236.296	3.112	0	50	BGAA	
Cc1cccc(CNC(=O)c2cccc(F)c2)c1	31058027	DUMDPYSACZRSCT-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
N[C@H](c1ccc2ccccc2n1)C1CCCC1	38526345	LUXUJWKUOGNQTI-HNNXBMFYSA-N	226.323	3.425	0	50	BGAA	
Cc1cc(C)cc(NC(=O)N2C[C@H]3CC[C@H]2C3)c1	124285118	BDCNYTRUVDZTQL-JSGCOSHPSA-N	244.338	3.320	0	50	BGAA	
Cc1cscc1NC(=O)[C@H]1CC1(C)C	128243576	BITAQLHWEKKWFE-MRVPVSSYSA-N	209.314	3.041	0	50	BGAA	
CCOc1cc(Br)c(F)cc1F	141049273	IUIJTMUVDDOQSM-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	
CC[C@H](C)Oc1ccc(Br)nc1	146145358	CTGRZBJDBDTGLR-ZETCQYMHSA-N	230.105	3.021	0	50	BGAA	
N[C@H](c1ccccc1)[C@H]1C[C@@H]1c1ccccc1	162185016	QKBBLALGXODMEM-OWCLPIDISA-N	223.319	3.490	0	50	BGAA	
COc1cccc2c1CC[C@@H]2N[C@H](C)C1CCC1	170043146	SPGVJVWLDZCSHH-ABAIWWIYSA-N	245.366	3.461	0	50	BGAA	
CC1(C)[C@H]2CN(C(=O)C3(C4CCC4)CCC3)C[C@@H]21	336285128	XZLQAWLPEJZPHU-STQMWFEESA-N	247.382	3.071	0	50	BGAA	
Cc1nsc(/C=C/c2conc2C(C)(C)C)n1	2325772309	VSVMXASGFZVQJI-AATRIKPKSA-N	249.339	3.302	0	50	BGAA	
C[C@@]12CC3CC(C(=O)O)(C1)C[C@](C)(C3)C2	107439	BSWOQWGHXZTDOO-QGVZIFMBSA-N	208.301	3.068	0	50	BGAA	in-vitro
S=C(Nc1ccccc1Cl)N1CCCC1	314744	LYTPJMIBGGAKBT-UHFFFAOYSA-N	240.759	3.133	0	50	BGAA	
Cc1cccc(OCCCCN2CCCC2)c1	2496717	GCCJEEQXUUQZLR-UHFFFAOYSA-N	233.355	3.250	0	50	BGAA	
O=Cc1c(-c2ccccn2)[nH]c2ccccc12	2534051	NIJZBEOQXCOMDD-UHFFFAOYSA-N	222.247	3.042	0	50	BGAA	in-vitro
Nc1ccc(OC(F)(F)F)c(C(F)(F)F)c1	2540128	ZXYQQLFHWWMQHL-UHFFFAOYSA-N	245.122	3.186	0	50	BGAA	in-vitro
O[C@H](c1ccccc1)c1cccc(Cl)c1	4072024	DDCJHFYXAPQYLA-CYBMUJFWSA-N	218.683	3.422	0	50	BGAA	in-vitro
Cc1ccc(SCCCn2ccnc2)cc1	4842938	RHYASEPHIQWKQN-UHFFFAOYSA-N	232.352	3.374	0	50	BGAA	
COC(=O)[C@H](c1ccc(Cl)cc1)C(C)C	5761161	YLOVJTBYAMJJPN-NSHDSACASA-N	226.703	3.253	0	50	BGAA	in-vitro
Nc1ccc(Oc2cccnc2)c(Cl)c1	12357646	HUHJCGBQPHGZAW-UHFFFAOYSA-N	220.659	3.110	0	50	BGAA	
c1ccc(COc2ccc3c(c2)CCN3)cc1	13462670	NHULNFPNWXCXDI-UHFFFAOYSA-N	225.291	3.234	0	50	BGAA	in-vitro
Cc1cc(C)c(-c2cccc(N)n2)c(C)c1	32516029	BWGIINWMZYRCQF-UHFFFAOYSA-N	212.296	3.256	0	50	BGAA	
CSc1ncc(C(F)(F)F)cc1Cl	95215858	JKOQITGVNUGXEJ-UHFFFAOYSA-N	227.638	3.476	0	50	BGAA	
c1ccc([C@H]2C[C@H]3CCCCN3C2)cc1	96027052	JKECMGSANFSNJV-UONOGXRCSA-N	201.313	3.028	0	50	BGAA	
CC1=Nc2ncc(Br)cc2C1(C)C	116791527	AHSNZIUQJNPBDY-UHFFFAOYSA-N	239.116	3.228	0	50	BGAA	
Cc1nc(C(=O)O[C@H](C)CC(C)C)cs1	170621284	AOTXJSXKLWXRNO-MRVPVSSYSA-N	227.329	3.043	0	50	BGAA	
CC[C@@H]1C[C@@H]1NC(=O)c1cc2cc(C)ccc2o1	170627018	MHSAXCJYAKYOCO-PWSUYJOCSA-N	243.306	3.270	0	50	BGAA	
Fc1ccc2cc(Br)ccc2n1	205733170	JNOLSEKYCDRSSZ-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
C[C@]1(C(=O)O)[C@H]2Cc3cccc4cccc(c34)[C@H]21	229837557	SBNNFLCOHKDHPS-BJJXKVORSA-N	238.286	3.200	0	50	BGAA	
CC(C)n1nccc1/C=C/c1nccs1	585135935	JLISUUBKRFPSJF-ONEGZZNKSA-N	219.313	3.091	0	50	BGAA	
Cc1ccccc1CCN(C)CC1(C)CC1	1659296450	HZBGJWBOURPLSQ-UHFFFAOYSA-N	217.356	3.269	0	50	BGAA	
CC[C@@H](C)c1cc(O)nc(CCC(F)(F)F)n1	1776004459	SCJPQXITFDXZCD-SSDOTTSWSA-N	248.248	3.191	0	50	BGAA	
CC(C)Cc1ccc([C@H](C)C(=O)O)cc1	2647	HEFNNWSXXWATRW-JTQLQIEISA-N	206.285	3.073	0	50	BGAA	biogenic,fda
CCn1ccnc1[C@H](O)c1ccc(C(C)C)cc1	372908	YAAZDENZXLPOFP-CQSZACIVSA-N	244.338	3.108	0	50	BGAA	
Cc1ccnc(NC(=O)Nc2ccccc2F)c1	398277	VQIQDRUJGQIUAN-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
CCN(CC)CCCCOc1ccccc1C	2493498	AGJXQYDTNBTMNS-UHFFFAOYSA-N	235.371	3.496	0	50	BGAA	
COc1ccccc1-c1ccc(C(=O)O)cc1	2574066	YQLGXBYAHYGABI-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
OCc1ccc(C(F)(F)F)cc1C(F)(F)F	2584340	NDHDRXKQSOFDNV-UHFFFAOYSA-N	244.134	3.217	0	50	BGAA	in-vitro
Fc1cc(C(F)(F)F)c2ncccc2c1	38537181	YABAVCVZUGPWSZ-UHFFFAOYSA-N	215.149	3.393	0	50	BGAA	in-vitro
Fc1ccc(Br)cc1OC(F)F	39325876	PMRMESFXMAREHL-UHFFFAOYSA-N	241.006	3.190	0	50	BGAA	in-vitro
C=CCCC[C@](C)(C(=O)O)c1ccccc1	43198656	BKQYHTQHDAFYAB-AWEZNQCLSA-N	218.296	3.385	0	50	BGAA	
Oc1ccc(-c2cccc(F)c2F)cc1	65339968	BPNQXCRUPFDZGO-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
C[C@H]1CC(C)(C)C[C@@H]1NCc1nccs1	192391011	JRPPSBCPNMNQKV-UWVGGRQHSA-N	224.373	3.057	0	50	BGAA	
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]3[C@H]2[C@H]31	248380841	RIZPIOIQESKPGJ-CDNMXLJCSA-N	224.303	3.356	0	50	BGAA	
Cc1cccc2c1cc(O)n2C(=O)OC(C)(C)C	261493974	NAWZYUUDQYGELB-UHFFFAOYSA-N	247.294	3.439	0	50	BGAA	
COc1ccc(-c2cn(C3CCCC3)nn2)cc1	585091477	FFWHGPITJINGDJ-UHFFFAOYSA-N	243.310	3.069	0	50	BGAA	
C[C@@H]1CCCN(C(=O)c2ccsc2Cl)C1	665090599	VDJBDFORTFVBLY-MRVPVSSYSA-N	243.759	3.274	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2c[nH]ccc2=N)cc1	1506419359	ZOVJCPAMBZIPOB-LLVKDONJSA-N	242.322	3.259	0	50	BGAA	
O=C(Nc1ccc(Cl)cn1)C1CCCCC1	240605	FGYZJEVPFAWBNN-UHFFFAOYSA-N	238.718	3.254	0	50	BGAA	
CC[C@@H](C)NC(=S)Nc1ccccc1C	314662	XQILCVSAZFHUQY-SNVBAGLBSA-N	222.357	3.080	0	50	BGAA	
Cc1ccc(NC(=O)Cc2ccccc2)cc1	405855	OBCQZBGQLQZHHJ-UHFFFAOYSA-N	225.291	3.176	0	50	BGAA	
O=C(NCc1ccccc1)Nc1ccccc1F	1752769	SPHJLSQGEFYIBA-UHFFFAOYSA-N	244.269	3.147	0	50	BGAA	
CCCCc1ccc(C(=O)CCC(=O)O)cc1	2555769	CQXSYJVVDLNUAJ-UHFFFAOYSA-N	234.295	3.077	0	50	BGAA	
CC(C)c1ccccc1-n1cccc1C=O	3676289	BPZQZGBFTFSLMX-UHFFFAOYSA-N	213.280	3.413	0	50	BGAA	in-vitro
Cc1cc(-c2ccc(C(=O)O)cc2)ccc1F	4204253	VHCGFUUYMSWCTC-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Cc1ccc(CSc2nccc(C)n2)cc1	6300171	FHAKLSIMVQGLPS-UHFFFAOYSA-N	230.336	3.386	0	50	BGAA	
Cc1cccc(C)c1OCCCCn1ccnc1	13284764	XWIFNTWXTLMMGS-UHFFFAOYSA-N	244.338	3.359	0	50	BGAA	
COc1ccc(NC(=O)c2ccc(C)o2)c(C)c1	13326898	BPOUSYCYKRWYOX-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
O=C(O)c1ccc2c(Cl)cccc2c1	34345302	WVRYXJXPKJMSON-UHFFFAOYSA-N	206.628	3.191	0	50	BGAA	in-vitro
CC(=O)c1ccc(OCc2ccccc2)c(N)c1	34592588	CALRVTMJQJSQEW-UHFFFAOYSA-N	241.290	3.050	0	50	BGAA	
Fc1cc(S)c(Br)cc1F	67796550	UDRRWFVYAGOEDE-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CCCc1ccc(Br)s1	72192309	AZMSRFANKVHIEG-UHFFFAOYSA-N	205.120	3.463	0	50	BGAA	in-vitro
Fc1ccccc1[C@H]1CCN(c2ccncc2)C1	77391976	YZIFPWHVGKYGLW-LBPRGKRZSA-N	242.297	3.215	0	50	BGAA	
O=Cc1ccc(Br)c(Cl)c1F	96024786	WHSKLGAULKIGTA-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
CCNC1(c2cccc(OC)c2)CCCCC1	199620395	OFGOOZLOGUNDFS-UHFFFAOYSA-N	233.355	3.464	0	50	BGAA	in-vitro
CCc1ccccc1-c1nccn1[C@@H]1CCOC1	1857740077	GWWAMUJPUVYMIO-CYBMUJFWSA-N	242.322	3.074	0	50	BGAA	
Cn1c(-c2ccccc2)nc2ccccc21	135832	POSRBSJJCMKQNU-UHFFFAOYSA-N	208.264	3.240	0	50	BGAA	
Cc1ccc2nc(-c3ccccc3O)[nH]c2c1	1037931	RENIIFGMUKZWHA-UHFFFAOYSA-N	224.263	3.244	0	50	BGAA	
COc1ccc(NC(=O)N2CCCCCC2)cc1	1506978	XQWPYHAQBOCEAB-UHFFFAOYSA-N	248.326	3.103	0	50	BGAA	
Cc1cc2ccc(Br)cc2[nH]1	1705021	PTDPLQDPOIVTQW-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
CC(C)[C@@H](CO)NC1CCC(C(C)(C)C)CC1	6884234	AFOVREWAXPHFCX-JXQTWKCFSA-N	241.419	3.198	0	50	BGAA	
O=C(Nc1nccs1)C1[C@H]2CCC=CCC[C@H]12	18024449	CNVSWBFDWIIJKA-UWVGGRQHSA-N	248.351	3.074	0	50	BGAA	
CC1=CC[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1=O	19908735	BYZYQYOUMAVMHK-SRTKAIALSA-N	248.366	3.099	0	50	BGAA	
CC1(C)COC(c2ccccc2C(F)(F)F)=N1	34522349	HWQOBOHXBPWAAV-UHFFFAOYSA-N	243.228	3.261	0	50	BGAA	
Clc1ncc2cccc(Br)c2n1	35270058	BFDGSOGSXIFDNF-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
C[C@H](O)c1cccc(OCc2ccccc2)c1	35627538	TZTSJUPGQORXJB-LBPRGKRZSA-N	228.291	3.319	0	50	BGAA	in-vitro
OCc1cc2cccc(Br)c2s1	63110880	GOQLHIBVKJDKPR-UHFFFAOYSA-N	243.125	3.156	0	50	BGAA	in-vitro
CC(C)c1c(-c2ccccc2)ncn1C	65396694	RSIQGBHYKBCKHX-UHFFFAOYSA-N	200.285	3.211	0	50	BGAA	
CN1CCC[C@H](Cc2ccnc(Cl)c2)CC1	72344237	RJCUSLGPILMSIB-NSHDSACASA-N	238.762	3.009	0	50	BGAA	
CC[C@H](C(=O)c1ccccc1C)N1CCCC1	95215387	RZXMFZFHBTYBOE-CQSZACIVSA-N	231.339	3.052	0	50	BGAA	in-vitro
CC(C)(c1ccc(O)cc1)C(F)(F)F	115648288	ZKXRVUUNYLRERR-UHFFFAOYSA-N	204.191	3.232	0	50	BGAA	
CC(C)Oc1ccc(F)c(Br)c1	137060218	OUVYEHDQPSHXSX-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	
CC(=O)c1ccc2ncc(Cl)cc2c1	261507462	IWBYBZUSHRYGCA-UHFFFAOYSA-N	205.644	3.091	0	50	BGAA	
C[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCCc2ccccc21	612775204	WOOKPBOYVZRVEE-DFBGVHRSSA-N	243.350	3.178	0	50	BGAA	
COc1cc(C)c(N)c2c1C(C)(C)C[C@@H]2C	669375056	PTYUEZFDBIRXNB-VIFPVBQESA-N	219.328	3.371	0	50	BGAA	
O=Cc1cc(C(F)(F)F)ccc1Cl	56837	OZZOJJJYKYKBNH-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
Cc1cc2c3c(C)n(C)c(C)c3c(C)nn2c1	235932	IGFNKEZMOWBEPI-UHFFFAOYSA-N	227.311	3.060	0	50	BGAA	
COc1cccc(NC(=O)c2ccc(C)cc2)c1	260699	LHGUCPJOIROFJT-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	biogenic
O[C@H](Cn1ccc2ccccc21)c1ccccc1	337809	IZJUVVVGVLACJG-MRXNPFEDSA-N	237.302	3.375	0	50	BGAA	
Cc1ccsc1CNc1cccc(C(=O)O)c1	575176	KEYWDFMSJNCJRG-UHFFFAOYSA-N	247.319	3.367	0	50	BGAA	
CC(C)N[C@@H](C)c1c[nH]c2ccccc12	1575718	XQWQVJRSFNDGOD-JTQLQIEISA-N	202.301	3.227	0	50	BGAA	in-vitro
Cc1ccc(N2COc3ccccc3C2)cc1	2519666	IISKPZHYLUEHSJ-UHFFFAOYSA-N	225.291	3.352	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(F)c(F)c1	2958468	QCMDPLIVXDYYFE-QMMMGPOBSA-N	227.254	3.340	0	50	BGAA	
Cc1cccc(C(=O)NCc2ccccc2C)c1	5089858	FUEKNKBBVXGVRJ-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
COc1cccc(CNCc2ccc(C)cc2)c1	6697959	DPNNHWZCYZJXMK-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	
Sc1nnc(-c2ccc(Cl)cc2Cl)o1	17957835	KDACHYNPZYGPON-UHFFFAOYSA-N	247.106	3.332	0	50	BGAA	
Fc1ccc2ncn(-c3ccccc3)c2c1	38537718	HOOBHOSUWSKTTL-UHFFFAOYSA-N	212.227	3.165	0	50	BGAA	in-vitro
COc1cc(C)cc2c(C=O)csc12	238377193	ITFADPLFMOWEOX-UHFFFAOYSA-N	206.266	3.031	0	50	BGAA	
OCc1cc(OC(F)F)c(Cl)cc1Cl	263625368	ZGXHLKWBPYRPEE-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
C/C=C/[C@@H]1OC[C@H]2[C@@H](C)C=C(C)[C@H]1[C@@H]2C	504230637	KZCLQQNWIIUXOP-XTMAOCAYSA-N	206.329	3.426	0	50	BGAA	
Cc1cc2cc(NC(=O)[C@H]3CC34CC4)ccc2o1	952976702	MBTLXYHQLKXUQM-GFCCVEGCSA-N	241.290	3.480	0	50	BGAA	
Cc1nc(-c2cnc3ccccc3c2)ccc1O	2356168718	CKEURKBCDJSCDS-UHFFFAOYSA-N	236.274	3.311	0	50	BGAA	
CC(=O)Nc1ccccc1-c1ccccc1	250386	IXCZSZXIGHWLEJ-UHFFFAOYSA-N	211.264	3.312	0	50	BGAA	
COc1ccc(NC(=O)c2cccs2)c(C)c1	1055197	KUFXOWPGLMASQA-UHFFFAOYSA-N	247.319	3.317	0	50	BGAA	
Clc1cc(Cl)cc([C@H]2CCCN2)c1	4234766	RGJUGOHYPAYSDI-SNVBAGLBSA-N	216.111	3.418	0	50	BGAA	in-vitro
Cc1ccc([C@@H](O)c2cc(F)cc(F)c2)cc1	4255210	KSGPZFYNIZMPSJ-CQSZACIVSA-N	234.245	3.355	0	50	BGAA	
COC(=O)C1(c2ccc(Cl)cc2)CCCC1	15014937	CRZVZVCCDBEHMG-UHFFFAOYSA-N	238.714	3.325	0	50	BGAA	
O=C(O)c1ccc(C(F)(F)C(F)(F)F)cc1	26738604	WJKRCWXOKSNIAD-UHFFFAOYSA-N	240.127	3.039	0	50	BGAA	
Brc1csc2cnccc12	32250792	YTWCEXXHTNFGKR-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Cc1c(Br)ccc2cccnc12	39110410	MLTSRPXEANUCKX-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
Cc1cccc(Br)c1OC(F)F	39325881	KPVIEIAMOJUJED-UHFFFAOYSA-N	237.043	3.359	0	50	BGAA	
COc1ccc(-c2cc(F)cc(C(=O)O)c2)cc1	65349983	IDVPQPRHGUBPRN-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Fc1ccc(Br)c2ccncc12	82767297	VRNWNPVURSCXKC-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
C/C=C/[C@@H]1OC[C@H]2[C@H](C)C=C(C)[C@H]1[C@@H]2C	101162950	KZCLQQNWIIUXOP-DSUVSVHFSA-N	206.329	3.426	0	50	BGAA	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1Cl	101669739	VLNNNESZIBWEHH-OUJBWJOFSA-N	249.741	3.258	0	50	BGAA	
Fc1cccc2cncc(Br)c12	142579671	BIKQXDIDVOSHHU-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
CCCn1c(=N)sc2cc(Cl)ccc21	217431290	IIILYRLNXCTRHJ-UHFFFAOYSA-N	226.732	3.246	0	50	BGAA	
Cc1cc(-c2c(F)cncc2F)cs1	669379585	GFSWMBMZSBVKFF-UHFFFAOYSA-N	211.236	3.397	0	50	BGAA	
C[C@H](NC(=O)Cc1cccs1)C1=CCCCC1	827989676	SHUQQCLUVJOHQW-NSHDSACASA-N	249.379	3.296	0	50	BGAA	
Cc1ccc(C)c(-c2nc(C(C)(C)C)n[nH]2)c1	1506400436	MZNOUASYUHMWJX-UHFFFAOYSA-N	229.327	3.386	0	50	BGAA	
COC(=O)[C@H](C)c1ccc(CC(C)C)cc1	165834	YNZYUHPFNYBBFF-LLVKDONJSA-N	220.312	3.162	0	50	BGAA	in-vitro
CCC(CC)C(=O)Nc1cccc(NC(C)=O)c1	463252	LEBBIFCOKCXNDR-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
Cn1c(NCc2ccccc2)nc2ccccc21	512981	OTKCOPCTTAKCKG-UHFFFAOYSA-N	237.306	3.185	0	50	BGAA	
COc1ccc2[nH]c3sc(C)nc3c2c1	550360	PPWOFNYNNLZZOQ-UHFFFAOYSA-N	218.281	3.095	0	50	BGAA	
O=C(c1ccccc1)C(F)(F)C(F)(F)F	1675553	VUBUXALTYMBEQO-UHFFFAOYSA-N	224.128	3.067	0	50	BGAA	in-vitro
Fc1cc(F)c(Br)c(F)c1F	2004028	AHJRONLVHNFUNH-UHFFFAOYSA-N	228.970	3.006	0	50	BGAA	
COc1cccc(-c2noc(C(C)(C)C)n2)c1	4838864	RFZZFSXWIWMFRX-UHFFFAOYSA-N	232.283	3.043	0	50	BGAA	
Cc1ccsc1CNCc1ccc(F)cc1	4998056	YAFMYGOSTGGOBW-UHFFFAOYSA-N	235.327	3.485	0	50	BGAA	
Cc1ccc(-c2cnn3c(C)cc(C)nc23)cc1	5321859	MOLIXFTXVIAWBX-UHFFFAOYSA-N	237.306	3.322	0	50	BGAA	
CC[C@@H](O)c1ccccc1C(F)(F)F	15442998	XTXLAKQKGNTWSR-SECBINFHSA-N	204.191	3.149	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc2c(c1)NCC2	33465138	VWVPSFNYFXGUHV-UHFFFAOYSA-N	234.299	3.002	0	50	BGAA	
Clc1cccc([C@H]2CCNC2)c1Cl	71519560	KKGNZEVIDMVXEE-ZETCQYMHSA-N	216.111	3.070	0	50	BGAA	
O=c1oc2ccsc2c2sccc12	150167292	BLWMCWJAHPGSIM-UHFFFAOYSA-N	208.263	3.069	0	50	BGAA	
Oc1cccc2sc(Br)cc12	212208378	ULLABIBCRDEFFP-UHFFFAOYSA-N	229.098	3.369	0	50	BGAA	
CC(=O)Oc1ccc(-c2csc(C)n2)cc1	219040080	MQNZRSQWNNVXKI-UHFFFAOYSA-N	233.292	3.044	0	50	BGAA	
CN(Cc1cccnc1)[C@H]1CCC(C)(C)C1	336047513	ZICDHBOMLPJPMP-ZDUSSCGKSA-N	218.344	3.092	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)C(F)(F)F	38743	JIERMOICRGEBSR-UHFFFAOYSA-N	237.608	3.149	0	50	BGAA	
Cc1ccc(C(=O)Nc2ccncc2)cc1Cl	317859	AFHLCHCANORIIK-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
COc1ccc(NC(=O)Nc2ccccc2)cc1	396426	NTRVJFMCRHBODE-UHFFFAOYSA-N	242.278	3.339	0	50	BGAA	
CC[C@@](C)(O)c1cccc2ccccc12	3125070	FDJZGGOPGHLDLC-CQSZACIVSA-N	200.281	3.457	0	50	BGAA	
COC(=O)c1cccc2c1oc1ccccc12	4798207	ZBKHXDCUAQMZNR-UHFFFAOYSA-N	226.231	3.373	0	50	BGAA	
Cc1ccc(CC(=O)N[C@@H](C)C(C)(C)C)cc1	6698850	YCWLHZWZFSRBIH-LBPRGKRZSA-N	233.355	3.088	0	50	BGAA	
CCc1ccc(NC(=S)N2CCCC2)cc1	13825736	MPFRZVSPXFVNNA-UHFFFAOYSA-N	234.368	3.042	0	50	BGAA	
FC(F)(Cl)c1nc2ccccc2o1	39075441	NHSGLHULXBUSIQ-UHFFFAOYSA-N	203.575	3.116	0	50	BGAA	in-vitro
CCNc1nc(CC)nc2sc3c(c12)CCC3	41090161	NISNWTLAZALHRB-UHFFFAOYSA-N	247.367	3.174	0	50	BGAA	
COc1cc(-c2ccccc2C(=O)O)ccc1F	65339764	HWFIPKKNMKFBQA-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CCCCOc1cc(C(=O)OC)ccc1Cl	97756814	XWZHJLZOIXDKCX-UHFFFAOYSA-N	242.702	3.306	0	50	BGAA	
O=C(/C=C/c1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2	104015882	PHECXNWAUDAWII-DUIMAYQASA-N	241.334	3.005	0	50	BGAA	
COC(=O)c1ccc(C)cc1-c1ccccc1	146645034	ZFCJFGSLSLXVOI-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
CC[C@@H](C)C(=O)Nc1cc(Cl)ccc1OC	30651	KWYPOOKIHKRMQW-MRVPVSSYSA-N	241.718	3.333	0	50	BGAA	
Cc1ccc(-c2nc3cc(N)ccc3o2)cc1	125064	HSZLOKDLSZAZCH-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
CC[C@@H](c1ccccc1)[C@H](C)OC(C)=O	390806	SYIRNRZUHYNSKR-GXFFZTMASA-N	206.285	3.132	0	50	BGAA	
CN(Cc1ccccc1)C(=O)CC(C)(C)C	455931	VFIALYZVQIRFCI-UHFFFAOYSA-N	219.328	3.081	0	50	BGAA	
Cc1nccn1Cc1cccc2ccccc12	2489968	VRETZCZTEVEGME-UHFFFAOYSA-N	222.291	3.393	0	50	BGAA	
Nc1nc(-c2ccc(F)cc2Cl)cs1	3888912	YKUHOXMBKIGRFZ-UHFFFAOYSA-N	228.679	3.185	0	50	BGAA	
C[C@@H]1COC2(CCC(C(C)(C)C)CC2)O1	6031255	HFFWINBWALELJR-XSRFYTQQSA-N	212.333	3.354	0	50	BGAA	
Cc1c(-c2ccccc2)nc2sccn12	11535678	AYMDAFMHIPIUQI-UHFFFAOYSA-N	214.293	3.371	0	50	BGAA	biogenic
C[C@](CO)(Cc1ccccc1)c1ccccc1	11733531	VMRYBMDXKVJQKJ-MRXNPFEDSA-N	226.319	3.179	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccnc(Cl)c1	12359563	SJCKHLJWAXGPGT-UHFFFAOYSA-N	228.679	3.082	0	50	BGAA	
COC(=O)c1c(C)cccc1-c1ccccc1	34338754	CBFUCKQHENSVAN-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
N#CCC(CC#N)c1ccc(Br)cc1	149138867	VHFNFMSUKFPLHR-UHFFFAOYSA-N	249.111	3.360	0	50	BGAA	
CC(C)n1cc(-c2ocnc2CC2CC2)cn1	2356158994	HNESQHBWUMNHBK-UHFFFAOYSA-N	231.299	3.072	0	50	BGAA	
CC(=O)c1ccc(OC(=O)c2cccs2)cc1	242114	UOXHTKNDPGGFCW-UHFFFAOYSA-N	246.287	3.170	0	50	BGAA	
Cc1ccc(C(=O)Nc2nccs2)c(C)c1	557957	NMVHVLNGMVIXCQ-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
CCCCCn1c(C=O)nc2ccccc21	2384489	FYSQNAYENYYYCH-UHFFFAOYSA-N	216.284	3.039	0	50	BGAA	in-vitro
CCOC(=O)[C@@H](CC)Oc1ccc(C)c(C)c1	2797399	VSTZFEAACSPZDW-CYBMUJFWSA-N	236.311	3.024	0	50	BGAA	
CCSc1nsc(SCC)c1C(=O)O	2984104	XLPAWRFWVVEPPM-UHFFFAOYSA-N	249.382	3.065	0	50	BGAA	
C[C@H](Cc1ccc(C(C)(C)C)cc1)C(=O)O	6036810	DWZYELZGJMFEMJ-SNVBAGLBSA-N	220.312	3.247	0	50	BGAA	in-vitro
COc1cccc2c(C)cc(N3CCCC3)nc12	6681695	NYPIWTLQCGOIEU-UHFFFAOYSA-N	242.322	3.152	0	50	BGAA	
CCCC[S@](=O)c1ccc(Cl)cc1	39269741	HNZJLTVSCRUHAI-CYBMUJFWSA-N	216.733	3.248	0	50	BGAA	
FC(F)(F)c1cnc2[nH]ccc2c1Cl	66054329	ATLADCFKPSZUNL-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	in-vitro
Fc1ccc2c(c1)ncn2C1CCCC1	75935295	GNVQYDXJANFRSD-UHFFFAOYSA-N	204.248	3.291	0	50	BGAA	in-vitro
Cc1ccc(Sc2ccc(C(=O)O)nc2)cc1	130107475	NAWCONCQVZJGEI-UHFFFAOYSA-N	245.303	3.239	0	50	BGAA	
Cc1ccc(Cl)c(/C=C/C(=O)O)c1Cl	263623848	LFDQIKPVPSBJML-HWKANZROSA-N	231.078	3.400	0	50	BGAA	
Cc1ccc(O)c(NC(=O)NC2CCCCC2)c1	409090	BUPOGWAJJWZISU-UHFFFAOYSA-N	248.326	3.155	0	50	BGAA	
C[C@]1(c2ccccc2)OC(=O)[C@H]2CC=CC[C@H]21	491230	TYWXTPZJOBOWNJ-GZBFAFLISA-N	228.291	3.041	0	50	BGAA	
C[C@H](N)c1ccc(Oc2ccccc2)cc1	1852596	WSQOGHJCBFRHSI-NSHDSACASA-N	213.280	3.499	0	50	BGAA	in-vitro
CNCCOC(c1ccccc1)c1ccccc1	2003663	AGSLYHYWLYGAOU-UHFFFAOYSA-N	241.334	3.012	0	50	BGAA	world
CCN(CC)CCCOc1ccc(Cl)cc1	2497206	WTASLUMHTZXNRB-UHFFFAOYSA-N	241.762	3.451	0	50	BGAA	
CC(C)n1c(CN2CCCC2)nc2ccccc21	4386068	JLRWXJOWSAVTTJ-UHFFFAOYSA-N	243.354	3.213	0	50	BGAA	
CCOc1ccc(/C=C/c2cccc[n+]2C)cc1	4774593	ABQJJXNIFHKDTB-JXMROGBWSA-N	240.326	3.080	0	50	BGAA	
CCCSc1ccccc1C(=O)N1CCCC1	6703547	GKERTZZCISHKOS-UHFFFAOYSA-N	249.379	3.425	0	50	BGAA	
CCCC(=O)N[C@@H](C)c1ccc(C)cc1C	6742382	QHXUEHIUGPLISE-LBPRGKRZSA-N	219.328	3.281	0	50	BGAA	
Clc1cnc2cc(Br)ccc2n1	35270037	XDJDRCGDVKTDHY-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
COc1cc(C)cc(Br)c1Cl	40571444	UQHDAWXOEHBLTD-UHFFFAOYSA-N	235.508	3.420	0	50	BGAA	
Brc1cccc(NC2CCCC2)n1	44116849	RYAZRECFYWSHSF-UHFFFAOYSA-N	241.132	3.199	0	50	BGAA	
CCOC(=O)c1cc2cc(Cl)c(C)cc2[nH]1	91691831	FOZLGJYZTCOFLH-UHFFFAOYSA-N	237.686	3.306	0	50	BGAA	in-vitro
Cc1ncsc1-c1ncnn1C1CCCCC1	91807781	FCOBOGSYQQFIJQ-UHFFFAOYSA-N	248.355	3.215	0	50	BGAA	
CCOC(=O)[C@H](C)Sc1ccccc1CC	96024777	MEADZOCFQQGFJL-JTQLQIEISA-N	238.352	3.293	0	50	BGAA	
NCCC[C@@]1(C2=CCCCC2)CCCC[C@H]1O	96026517	AWGYJUNTRGVGIK-HUUCEWRRSA-N	237.387	3.147	0	50	BGAA	
CCN(CC)C(=S)SC[Si](C)(C)C	170621454	PJGCZTHQRBKMOH-UHFFFAOYSA-N	235.494	3.224	0	50	BGAA	
O=C(c1ccsc1)N1CCC[C@@H](C2CC2)C1	290798356	FDKXMPVEUNSNNT-LLVKDONJSA-N	235.352	3.010	0	50	BGAA	
C[C@H]1CC=C(c2nc(-c3cscn3)no2)CC1	333880500	WFBFMARLZQGRJE-QMMMGPOBSA-N	247.323	3.397	0	50	BGAA	
c1cncc([C@H]2CCCN2Cc2ccsc2)c1	336447996	CEWAIUCJCFNGPU-CQSZACIVSA-N	244.363	3.480	0	50	BGAA	
Cc1ccc(NC(=O)Cc2cccs2)cc1	30708	VLZJPOQVUSSPIV-UHFFFAOYSA-N	231.320	3.238	0	50	BGAA	
Cc1ccccc1C(=O)Nc1cccc(F)c1	73198	JOIHCFYTBPBWQK-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
Nc1ccccc1C(=O)c1ccc(Cl)cc1	394816	APHLSUBLNQBFTM-UHFFFAOYSA-N	231.682	3.153	0	50	BGAA	in-vitro
Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2C)cc1	475833	KJYMTUIMFCTMFX-PLSXKVAHSA-N	243.350	3.409	0	50	BGAA	
O=C(/C=C/c1ccco1)Nc1ccc(F)cc1F	574528	ZNLBFFHBZYZNDG-GQCTYLIASA-N	249.216	3.210	0	50	BGAA	
CCn1c([C@H]2C[C@H]2c2ccccc2)n[nH]c1=S	2804176	WZVZZHCETNJYMA-QWRGUYRKSA-N	245.351	3.232	0	50	BGAA	
C[C@H](NC(=O)c1ccco1)c1ccc(Cl)cc1	4656433	QWRJAEFPQDCKTA-VIFPVBQESA-N	249.697	3.424	0	50	BGAA	
Cc1cccnc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	245237505	LFHKBFMSJGXFKK-AVGNSLFASA-N	244.338	3.155	0	50	BGAA	
C=CC(=O)N[C@H](c1ccc(Cl)cc1)C1CC1	888093239	KILWJUMCLIEIEY-ZDUSSCGKSA-N	235.714	3.093	0	50	BGAA	
CC(C)(C)Sc1ccc(C(=O)O)s1	134511	FQNJEAHKKHVTJD-UHFFFAOYSA-N	216.327	3.337	0	50	BGAA	
CC[C@H](C)c1ccccc1NC(=O)[C@H]1CCCO1	618054	CUTCXQCLJXTUNX-SMDDNHRTSA-N	247.338	3.318	0	50	BGAA	
O=C1Nc2ccccc2/C1=C/c1ccc(Cl)o1	4543006	XCSCPAMQFQEMLQ-YFHOEESVSA-N	245.665	3.426	0	50	BGAA	
Cc1ccc(C)c(NC(=S)N2CCCC2)c1	7522542	DRSKLOKJLHHMPB-UHFFFAOYSA-N	234.368	3.096	0	50	BGAA	
CCN(CC)C(=O)c1c(C)cc(C)cc1C	13322942	DCYJVSCBTQJUEQ-UHFFFAOYSA-N	219.328	3.094	0	50	BGAA	
C[C@H](CN)Cc1cc(Cl)ccc1Cl	30834302	OAWOIVQKHPITOL-ZETCQYMHSA-N	218.127	3.131	0	50	BGAA	
CC(C)n1cc2cc(Br)ccc2n1	65337230	XIGHIVSTILBEDF-UHFFFAOYSA-N	239.116	3.380	0	50	BGAA	in-vitro
OCc1ccccc1-c1ccc(F)c(F)c1	91692623	KYNAJAPXJUWEPH-UHFFFAOYSA-N	220.218	3.124	0	50	BGAA	in-vitro
Fc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cn1	116856278	TZDFJOPDJUSIRH-UHFFFAOYSA-N	247.660	3.417	0	50	BGAA	
CNCc1ccc(C(F)(F)F)cc1Cl	212710628	ASBMWUDDHUDMSM-UHFFFAOYSA-N	223.625	3.078	0	50	BGAA	
Cc1cnccc1N1CCC[C@H]1c1cccnc1	335692771	SHBPVZLLIHWCEY-HNNXBMFYSA-N	239.322	3.127	0	50	BGAA	
COc1cc(C2=CCCOC2)nc2ccsc12	1875340224	QRUUQQIGNOQNNT-UHFFFAOYSA-N	247.319	3.109	0	50	BGAA	
CCC(=O)c1cccc(Br)c1	157209	QSHLXVTVXQTHBS-UHFFFAOYSA-N	213.074	3.042	0	50	BGAA	
CC(C)Oc1cccc(C(=O)NC2CCCC2)c1	307030	CVBOYZOLEMBQSO-UHFFFAOYSA-N	247.338	3.146	0	50	BGAA	
CCc1ccc(-c2csc(N)n2)s1	372469	GYZHXUUINWLKJY-UHFFFAOYSA-N	210.327	3.016	0	50	BGAA	in-vitro
CCCCNC(=O)Nc1ccc(C)c(C)c1	2172072	SVAULGUGWWVPPP-UHFFFAOYSA-N	220.316	3.225	0	50	BGAA	
CCSc1c(C=O)c2ccccc2n1C	2243956	SJAMCTSYRIJKSG-UHFFFAOYSA-N	219.309	3.103	0	50	BGAA	
Cc1ccc(NC(=O)c2ccc(Cl)nc2)cc1	3548042	ICVSMZGTNJTHIS-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
C=C(c1ccc(O)cc1)c1ccc(O)cc1	4327575	OTJFTLRXGXUHEJ-UHFFFAOYSA-N	212.248	3.159	0	50	BGAA	
CC(C)(C)CC(C)(C)NCc1ccncc1	6697976	PHUPLMXJNAVDHD-UHFFFAOYSA-N	220.360	3.386	0	50	BGAA	
CC[C@@H](C)NC(=O)Nc1ccc(C)c(F)c1	13320210	BBTPDAWBLAFDRA-SECBINFHSA-N	224.279	3.054	0	50	BGAA	
O=C(O)c1ccc(-c2cccc(F)c2)cc1F	38068228	OZLFLMRQFLRQRA-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
CCc1nc2cc(C(F)(F)F)ccc2n1C	40410177	BRWCHTFEIOAMHR-UHFFFAOYSA-N	228.217	3.155	0	50	BGAA	
CC(C)(C)c1cc(Br)ccn1	44118265	TYDNNSUVMFKJJQ-UHFFFAOYSA-N	214.106	3.142	0	50	BGAA	in-vitro
CCOC(=O)c1cc(F)c(Cl)cc1Cl	44200921	FHPCKNJINJXSIC-UHFFFAOYSA-N	237.057	3.309	0	50	BGAA	
Cc1ccc(CN)c(O[C@@H](C)CC(C)C)c1	51580731	QIVGGTZUHXVDAD-LBPRGKRZSA-N	221.344	3.267	0	50	BGAA	in-vitro
O=C(O)c1c(-c2ccccc2)ccnc1Cl	118350692	HVBPRVTXOVIONS-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
Cc1cn(C(=O)OC(C)(C)C)c2ncccc12	142964934	FTTPFIUDNUQAOE-UHFFFAOYSA-N	232.283	3.128	0	50	BGAA	
CC[C@@H](C)C(=O)N1CCC[C@H]1c1ccccc1	248268494	PHTTVNJXCXUVFA-OCCSQVGLSA-N	231.339	3.396	0	50	BGAA	
CCS[C@@H]1CC(=O)CCC12CCCC2	725362243	QZRURYQCBUQSRA-LLVKDONJSA-N	212.358	3.422	0	50	BGAA	
Cc1cccc(F)c1-c1ccc(CO)cc1	1241558887	HUEMWKGZIOWESW-UHFFFAOYSA-N	216.255	3.293	0	50	BGAA	
C=Cc1ccc(N2CCC[C@@H](OCCC)C2)nc1	1506423190	UEMRIWTWOBIUOF-CQSZACIVSA-N	246.354	3.120	0	50	BGAA	
CC[C@@]12C[C@H]1CN(c1ncc(Cl)cc1F)C2	1772805794	SHMYTYSRBIYITB-UFBFGSQYSA-N	240.709	3.110	0	50	BGAA	
CC[C@@H](C)C(=O)Nc1c(C)[nH]c2ccccc12	1857527808	SULXXRRBULRJCL-SECBINFHSA-N	230.311	3.461	0	50	BGAA	
CC(C)(C)[C@H]1CN2C(=N1)Sc1ccccc12	1857775650	UAPPJNKVYZLCEP-LLVKDONJSA-N	232.352	3.383	0	50	BGAA	
Cc1cccc(-c2nccn2C2CC(F)(F)C2)n1	1875247983	SCVORIBOWASEJU-UHFFFAOYSA-N	249.264	3.224	0	50	BGAA	
COC(=O)c1c(N)sc(C)c1-c1ccccc1	149581	AIHYNLWSPTZXGT-UHFFFAOYSA-N	247.319	3.092	0	50	BGAA	
COc1ccccc1CN[C@H]1CCCC[C@@H]1C	183472	FYWXKQKJNZOYEM-JSGCOSHPSA-N	233.355	3.364	0	50	BGAA	
Cc1ccc(C(=O)Nc2nc(C)cs2)cc1	253242	WWYFRHMDONMHIS-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
Cc1cccc(C(=O)NC(C(C)C)C(C)C)c1	4852127	LJDIGNZSFXNETD-UHFFFAOYSA-N	233.355	3.405	0	50	BGAA	
CCc1cc(-c2n[nH]c(=S)n2CC)cs1	5686744	YLHMOSKWKWAIMY-UHFFFAOYSA-N	239.369	3.251	0	50	BGAA	
Cc1ccc(NC(=O)Nc2cccnc2)cc1C	6715107	HFSQGWGERIZBMU-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)C2CCC2)c(C)c1	6726557	WTXZRGGEVGBTJR-LBPRGKRZSA-N	231.339	3.281	0	50	BGAA	
COCc1cccc(NC(=O)C2CCCCC2)c1	25334841	VIRDNFDOZGOTMH-UHFFFAOYSA-N	247.338	3.352	0	50	BGAA	
Cc1cc(C(=O)O)ccc1-c1ccccc1	43502618	ITLWSYAJGXPQSO-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	in-vitro
Oc1c(F)ccc(OCc2ccccc2)c1F	261493655	GPVKYSFMAGRCMO-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
Cc1cc(-c2ccccc2)ccc1CC(=O)O	575408801	WBMSKQVBMUTREH-UHFFFAOYSA-N	226.275	3.289	0	50	BGAA	
O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1	246853	PJIQFCQXLDJDMT-UHFFFAOYSA-N	243.310	3.082	0	50	BGAA	
CCN[C@@H](Cc1ccccc1)c1ccco1	394296	JJZNSQAREZKLGY-ZDUSSCGKSA-N	215.296	3.173	0	50	BGAA	in-vitro
CCOc1csc2nc(C)cc(C)c12	614366	VJSOMDGHBXNBBY-UHFFFAOYSA-N	207.298	3.312	0	50	BGAA	
Oc1ccc([C@H]2CCc3ccccc32)cc1	1680697	GISZMQWQAFRGHL-OAHLLOKOSA-N	210.276	3.470	0	50	BGAA	in-vitro
CSc1ccccc1[C@@H]1CCCCN1	3734651	RNJZOAIKTCXGNG-NSHDSACASA-N	207.342	3.223	0	50	BGAA	in-vitro
Cn1c2ccccc2c2ccc(C=O)cc21	4245523	QOBHAZPUGZRPSV-UHFFFAOYSA-N	209.248	3.144	0	50	BGAA	
O=C(O)/C=C\c1ccc2c3c(cccc13)CC2	4532450	VBEHYAOTPXXHLK-HJWRWDBZSA-N	224.259	3.036	0	50	BGAA	
Cc1ccc(COc2cccc(C(=O)O)c2)cc1	9237031	DTXSRBXGJGZDTP-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
c1cc2occc2c(N2CCC3(CCC3)C2)n1	131414979	GRDSOONRESZFQM-UHFFFAOYSA-N	228.295	3.208	0	50	BGAA	
CC(C)(N)c1ccc(F)c(C(F)(F)F)c1	148310259	MDNXBDTVWFHVAC-UHFFFAOYSA-N	221.197	3.038	0	50	BGAA	
COC(=O)c1sc2c(Cl)cccc2c1O	166133211	KSCCHUBNXONIII-UHFFFAOYSA-N	242.683	3.047	0	50	BGAA	
FC1(F)CCN(c2ccc3[nH]ccc3c2)CC1	169725923	WDTFWZFREFDLNY-UHFFFAOYSA-N	236.265	3.403	0	50	BGAA	
Clc1nc2c(c(C3CCCC3)n1)CCC2	238519092	VNLJWVADJCFAIG-UHFFFAOYSA-N	222.719	3.276	0	50	BGAA	
CCOc1c(Cl)cc(O)cc1OC(C)C	261494403	WRGAHSMSYGMSCL-UHFFFAOYSA-N	230.691	3.232	0	50	BGAA	
O=C(O)/C=C/c1cc(Cl)c(Cl)cc1F	263623609	IZGVIOHFKRUSRQ-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
COc1cccc(Cl)c1-c1ccc(C=O)o1	315301584	PQAISCLNZZWRFQ-UHFFFAOYSA-N	236.654	3.421	0	50	BGAA	
C=CC(=O)N1CCCC2(CCCCCC2)C1	848979681	XSBWTQHNTQSWJL-UHFFFAOYSA-N	221.344	3.135	0	50	BGAA	
NNc1c(Cl)cc(C(F)(F)F)cc1Cl	56917	FYOWOHMZNWQLFG-UHFFFAOYSA-N	245.031	3.298	0	50	BGAA	in-vitro
C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1	57206	SNPPWIUOZRMYNY-SECBINFHSA-N	239.746	3.299	0	50	BGAA	biogenic,fda
CCOC(=O)c1c(-c2ccccc2)c[nH]c1C	237394	ITWKYSAIWTTWLJ-UHFFFAOYSA-N	229.279	3.167	0	50	BGAA	in-vitro
C[C@@H]1CCCN(C(=O)/C=C/c2ccc(F)cc2)C1	432989	NAPXTABMSVIFAD-UVMWJGKXSA-N	247.313	3.097	0	50	BGAA	
O=C(O)Cc1coc2ccc3ccccc3c12	1143617	XPQWIAKMWGZBAN-UHFFFAOYSA-N	226.231	3.213	0	50	BGAA	in-vitro
CC(C)CCn1c(CCCO)nc2ccccc21	1831126	OCFQYHBILVZMKE-UHFFFAOYSA-N	246.354	3.007	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)C(C)C	2493636	BWRJBKDZHYLTSO-UHFFFAOYSA-N	211.692	3.243	0	50	BGAA	
N=C1c2ccccc2C(=O)[C@H]1c1ccccc1	3832448	SSNSXBMTVMEFKG-ZDUSSCGKSA-N	221.259	3.035	0	50	BGAA	
CCOc1ccc(C(=O)N2CCCCC2)cc1C	13582372	GNIICCFHYIIGQF-UHFFFAOYSA-N	247.338	3.020	0	50	BGAA	
CC(C)Cc1ccc(-c2cc[nH]n2)cc1	15442880	ZXKGBJVNCWDMSG-UHFFFAOYSA-N	200.285	3.275	0	50	BGAA	
Fc1cc(Br)c2ncccc2c1	16677950	DOINWPRJXLNEBB-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
C[C@H]1CN([C@H](C)CCc2ccccc2)C[C@@H](C)O1	23283494	SWPBYVAZDQCLRW-KFWWJZLASA-N	247.382	3.117	0	50	BGAA	
C[C@@H](F)c1ccccc1Br	63360991	NJHZIPCIIIZAJJ-ZCFIWIBFSA-N	203.054	3.480	0	50	BGAA	
O=Cc1c(Cl)ccc(Br)c1F	75914831	WFFSWRXTSBYYKP-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	in-vitro
CC1(C)C[C@]1(Cl)[S@@](=O)c1ccccc1	95627054	LDYHZLISFHJPKZ-SMDDNHRTSA-N	228.744	3.159	0	50	BGAA	
COC(=O)c1ccc(-c2ccc(Cl)cc2)nc1	97756984	RJKCWSQEGOGWEH-UHFFFAOYSA-N	247.681	3.189	0	50	BGAA	
COCCOc1ccc(Cl)c(Cl)c1	122649599	CKHGREJVCBWQSL-UHFFFAOYSA-N	221.083	3.019	0	50	BGAA	
Nc1cnc(-c2c(Cl)cccc2Cl)cn1	199308133	NZFXNOITXLJDDC-UHFFFAOYSA-N	240.093	3.033	0	50	BGAA	
COc1cccc2c1[C@H]1C=C[C@H]2[C@@H]2C=C[C@H]12	216404171	ZKOWCPSHYWPWGS-ZPFDUUQYSA-N	210.276	3.248	0	50	BGAA	
COc1cccc(OC(C)C)c1Br	217661500	PCPXKCNONULXEV-UHFFFAOYSA-N	245.116	3.245	0	50	BGAA	
CC[C@H](O)c1cc(Br)ccc1C	229244159	XINLRUOEJAZHNG-JTQLQIEISA-N	229.117	3.201	0	50	BGAA	
CCCO[C@H]1CC(=O)CCC12CCCC2	725362672	UTUXJAVWWIDGAA-LBPRGKRZSA-N	210.317	3.095	0	50	BGAA	
CCc1n[nH]c(C)c1-c1cc(C)ccc1OC	1506402108	MFQYMUMIWWOPPK-UHFFFAOYSA-N	230.311	3.265	0	50	BGAA	
CCc1cc(O)ccc1-c1nncc(C)c1C	2356160118	DPNOPEYENIJMFA-UHFFFAOYSA-N	228.295	3.028	0	50	BGAA	
CC(=O)Nc1cccc2c1Cc1ccccc1-2	315381	POECHIXSIXBYKI-UHFFFAOYSA-N	223.275	3.216	0	50	BGAA	
Oc1cccc(-c2cn3cc(Cl)ccc3n2)c1	337734	KCUZXFOLZTYCHB-UHFFFAOYSA-N	244.681	3.360	0	50	BGAA	
CSc1cccc(NC(=O)C(C)C)c1	365213	UESCGFYZASHTJY-UHFFFAOYSA-N	209.314	3.003	0	50	BGAA	
Cc1ccc(O[C@@H]2CCCCO2)c2c1C(=O)CC2	393114	VVHPQNHHOVBXEG-CQSZACIVSA-N	246.306	3.029	0	50	BGAA	
COC(=O)Nc1cc(Cl)ccc1Cl	395111	TXBKUCFNWHGXCP-UHFFFAOYSA-N	220.055	3.172	0	50	BGAA	
O=C(O)Cc1cccc(-c2cccc(F)c2)c1	1256755	AMMCIAQLNFOHTP-UHFFFAOYSA-N	230.238	3.120	0	50	BGAA	in-vitro
O[C@H](c1ccccc1)C(Cl)(Cl)Cl	1641152	ABFRBTDJEKZSRM-SSDOTTSWSA-N	225.502	3.090	0	50	BGAA	
CCC[C@H](O)c1ccc(Br)cc1	2164140	DQQQQAUVVHNVPH-JTQLQIEISA-N	229.117	3.283	0	50	BGAA	in-vitro
Cc1ccc(OCCCCN(C)C)cc1C	2823298	SMAVYQPFNIKQSA-UHFFFAOYSA-N	221.344	3.024	0	50	BGAA	
O=C(O)c1cc2ccc3ccccc3c2[nH]1	3163645	BSJDLFRUFRONOR-UHFFFAOYSA-N	211.220	3.019	0	50	BGAA	
COc1cccc([C@H](O)c2cccc(Cl)c2)c1	4242584	OHGNGRZLJIHLIA-CQSZACIVSA-N	248.709	3.430	0	50	BGAA	
Cc1ccc(/C=C/NC(=O)c2ccco2)cc1C	4975761	ZGOKWTUADFEEEJ-BQYQJAHWSA-N	241.290	3.297	0	50	BGAA	
Cc1ccc2[nH]c(NCc3ccccc3)nc2c1	5052450	MAXFHYBKADLJQE-UHFFFAOYSA-N	237.306	3.483	0	50	BGAA	
COC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C	5761389	YLOVJTBYAMJJPN-LLVKDONJSA-N	226.703	3.253	0	50	BGAA	in-vitro
O=C(CCc1ccccc1)N1CCCCCCC1	6741575	MQMNFWVCVQGQEJ-UHFFFAOYSA-N	245.366	3.412	0	50	BGAA	
C[C@H]1CCC[C@@H](C)N1C(=O)c1ccccc1	12341302	WMDTVTLGXVIKJO-TXEJJXNPSA-N	217.312	3.090	0	50	BGAA	
Cc1occc1C(=O)Nc1cc(F)ccc1F	13325619	FAXBBONWSXACTR-UHFFFAOYSA-N	237.205	3.119	0	50	BGAA	
Cc1ccc(CC(=O)NC2CCCCC2)cc1C	13682371	WKWYMVHAJCRCEJ-UHFFFAOYSA-N	245.366	3.295	0	50	BGAA	
FC(F)(F)c1cnc(-c2ccccc2)[nH]1	31176474	BNLUKQUPRXZCDA-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	in-vitro
CCOC(=O)[C@@H](C)Sc1cccc(C)c1	43638357	FNOCQORSHOERCB-SNVBAGLBSA-N	224.325	3.039	0	50	BGAA	
Cc1ccc2nc(-c3ccncc3)[nH]c2c1C	55414388	XZJDWKHJDLTUOF-UHFFFAOYSA-N	223.279	3.242	0	50	BGAA	
C[C@@H]1C[C@H]1c1nc(-c2ccc3[nH]ccc3c2)no1	225590340	REBCAFXCQKUNRP-LDYMZIIASA-N	239.278	3.341	0	50	BGAA	
CC(=O)Nc1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1	302679868	PHPXEGHPFALRLI-NILFDRSVSA-N	244.338	3.246	0	50	BGAA	
Oc1ccnc(C=Cc2sccc2Cl)n1	1857531666	SGLTXNGPRPKFMB-UHFFFAOYSA-N	238.699	3.068	0	50	BGAA	
Cc1ccc(NC(=O)c2ccncc2)cc1Cl	256250	SNPIVGBFPADEDR-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
O=C(O)c1ccc2noc(-c3ccccc3)c2c1	320194	GEBDBXYYQHUKAU-UHFFFAOYSA-N	239.230	3.193	0	50	BGAA	
CCCC[C@@H]1OC[C@H](c2ccccc2)O1	3075533	VCHONKRHHVVDLP-CHWSQXEVSA-N	206.285	3.291	0	50	BGAA	
CC[C@H](C)c1ccccc1O[C@H](C)C(=O)O	9877288	RVCUDPXOVJSAHP-VHSXEESVSA-N	222.284	3.052	0	50	BGAA	in-vitro
O=Cc1c(Cl)cccc1N1CCCCC1	12428386	ADGCZFOMNLASBV-UHFFFAOYSA-N	223.703	3.143	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)n1ccc2ccc(O)cc21	14984968	SIBDMWFBALQFSL-UHFFFAOYSA-N	233.267	3.130	0	50	BGAA	
O=C1Nc2ccccc2/C1=C\C1CCCC1	35788922	YVURJYBECITLDD-FMIVXFBMSA-N	213.280	3.212	0	50	BGAA	
CC1=CC[C@H]2CO[C@@H](c3ccccc3O)[C@H]1C2	100740921	QDUXDTPWUQTGJM-ZLDLUXBVSA-N	230.307	3.436	0	50	BGAA	biogenic
CC(C)N(C(=O)c1cccc(N)c1)C1CCCC1	178414139	COEADXYJILMNLM-UHFFFAOYSA-N	246.354	3.062	0	50	BGAA	
CN(Cc1ccccc1)c1cccs1	198781567	TYANNDLHWXYNGU-UHFFFAOYSA-N	203.310	3.385	0	50	BGAA	
Cc1c(Cl)cnc(Cl)c1Br	216707077	IYPSPDXCNYJFTH-UHFFFAOYSA-N	240.915	3.459	0	50	BGAA	
Cc1cc(-c2cncnc2)c2cc(F)ccc2n1	426584980	YYHWAHHWIPKRFL-UHFFFAOYSA-N	239.253	3.139	0	50	BGAA	
Cc1ccc2n[nH]cc2c1C1C[C@@H](C)N[C@H](C)C1	757216229	ZEVBEDOHUMLBSF-GHMZBOCLSA-N	243.354	3.115	0	50	BGAA	
C[C@H]1CCc2nc(-c3ccc(F)nc3)sc2C1	1875283137	HMRFBZVJHHSYOC-QMMMGPOBSA-N	248.326	3.469	0	50	BGAA	
Cc1ccc(C(=O)NC2CCCCC2)cc1C	29944	CRVWBTCVHJBKKG-UHFFFAOYSA-N	231.339	3.366	0	50	BGAA	
Cc1ccc(C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1	155759	JHAROMYZTGWTSG-OLZOCXBDSA-N	246.306	3.069	0	50	BGAA	
COc1ccc(Cc2ccc(OC)cc2)cc1	294670	WECJUPODCKXNQK-UHFFFAOYSA-N	228.291	3.295	0	50	BGAA	biogenic
OCCSc1cc(Cl)ccc1Cl	2511118	BFQQDPZAFPEINL-UHFFFAOYSA-N	223.124	3.078	0	50	BGAA	
Cc1ccc(-c2cn3cccnc3n2)c(C)c1	4235034	NAQIFSCICSFMPP-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	in-vitro
CC(C)c1ccc(CCC(=O)NC2CC2)cc1	10357549	DIUUZDDGMWPYGG-UHFFFAOYSA-N	231.339	3.021	0	50	BGAA	
Cc1ccc(C(=O)Nc2cccc(F)c2)s1	13325600	BOOBGUXQFHFHFI-UHFFFAOYSA-N	235.283	3.448	0	50	BGAA	
Cc1cccc(-c2n[nH]c3ccc(N)cc23)c1	31990490	QICXZXCGXPZTEN-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1	45174602	KCDDWQSOYKGGCP-GFCCVEGCSA-N	231.339	3.362	0	50	BGAA	
CCCOc1ccc(C(F)(F)F)cc1O	71445412	KETNPHYRNKRONC-UHFFFAOYSA-N	220.190	3.200	0	50	BGAA	
Brc1cc2cccnc2s1	83298466	UAMUSRIEEHYHBP-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	
Fc1cccc(F)c1OC(F)(F)Cl	95704731	WNDDVXHJMJTOSB-UHFFFAOYSA-N	214.545	3.133	0	50	BGAA	
CCOC(=O)/C=C1/CCSc2ccccc21	381572035	WGZAKEXJAWEUNE-KTKRTIGZSA-N	234.320	3.129	0	50	BGAA	
c1cc(-c2ccc(-c3ccon3)s2)ccn1	952865063	OHLLBJLKURGMEW-UHFFFAOYSA-N	228.276	3.465	0	50	BGAA	
C=CC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1	1353214368	DOXXTOWCEDRZHS-UHFFFAOYSA-N	242.278	3.083	0	50	BGAA	
Cc1nccc(-c2cnc3cc(F)ccc3c2)n1	1875245106	KIDJQPUYOWVWOR-UHFFFAOYSA-N	239.253	3.139	0	50	BGAA	
O=C(/C=C/c1ccccc1)Nc1ccc(O)cc1	37867	WSRJZGPYPSPGLJ-IZZDOVSWSA-N	239.274	3.044	0	50	BGAA	
CN(C(=O)Nc1ccccc1)C1CCCCC1	154840	UETYSSIXKKSCFG-UHFFFAOYSA-N	232.327	3.483	0	50	BGAA	
Cc1ccc2oc(-c3ccccc3N)nc2c1	208545	FMUHCEMIRRZMIT-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)c1ccco1	238754	RYGGCHSNKJIGNF-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
Cn1c(-c2ccccc2)cc(=O)c2ccccc21	265498	AFKNCQDBTBDPOQ-UHFFFAOYSA-N	235.286	3.206	0	50	BGAA	biogenic,in-vitro
FC(F)(F)c1ccc2oc(S)nc2c1	2019626	MBQRNNRGEFJOFN-UHFFFAOYSA-N	219.187	3.135	0	50	BGAA	
CCCCN(CC)C(=O)c1ccccc1F	2739654	UNLNZZIYEZBRDB-UHFFFAOYSA-N	223.291	3.088	0	50	BGAA	
CCCC[C@H]1CN(C)CC[C@]1(O)c1ccccc1	4019958	QSWUHCIUQIOCAM-HOTGVXAUSA-N	247.382	3.016	0	50	BGAA	
c1cc2c(cc1CNCC1CCCCC1)OCO2	10474990	YXQMVQMORGLSFA-UHFFFAOYSA-N	247.338	3.085	0	50	BGAA	
Fc1cccc(Cl)c1Br	63339634	GBESIUPWXGQOFP-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	in-vitro
COC(=O)c1c(F)cccc1-c1ccccc1	97757165	OXQXCKWNRPBRDU-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
Cc1cc(CNCC(C)C)ccc1Cl	125465313	OUVRUSGIKNHJKH-UHFFFAOYSA-N	211.736	3.394	0	50	BGAA	
CC1(C)CC[C@@H](N2CCC(c3cc[nH]n3)CC2)C1	364176924	SBJSNQQCUCFZDY-CYBMUJFWSA-N	247.386	3.168	0	50	BGAA	
Clc1ccc(CN2[C@H]3C=CC[C@H]2CC3)cn1	370949399	ASYYNLDRYNUDLK-RYUDHWBXSA-N	234.730	3.028	0	50	BGAA	
Cc1ccc(-c2nc(C(C)(C)C)n[nH]2)c(F)c1	426420066	WHVULKTYHORKPQ-UHFFFAOYSA-N	233.290	3.217	0	50	BGAA	
c1nc(CN2CCC[C@@H]3CCCC[C@H]32)cs1	685939838	WCILOTBEQWGHHL-WCQYABFASA-N	236.384	3.298	0	50	BGAA	
CC(C)Oc1ccc(-c2ncc(F)cn2)cc1	1250473109	MAVCNXKOUKWAAD-UHFFFAOYSA-N	232.258	3.070	0	50	BGAA	
Cc1cc(OCc2ccccc2)ccc1C(=O)O	3201113	GAKFWANCNDKESO-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	in-vitro
COc1cccc(C(=O)c2cc(F)cc(F)c2)c1	4255151	XVVVWKDQMBERMO-UHFFFAOYSA-N	248.228	3.204	0	50	BGAA	
Cc1cccc(NC(=O)Nc2ccncc2)c1	5588224	CBYUOCRHQUTHHO-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
CCCc1c(C)c2cccc(C)c2[nH]c1=O	8579706	ZTMQJLRNAOBJIR-UHFFFAOYSA-N	215.296	3.097	0	50	BGAA	
CCCCNc1ccc(-c2ccccc2)nn1	28580655	OFVDALIGJZMYBV-UHFFFAOYSA-N	227.311	3.356	0	50	BGAA	
Cc1cc(C)c([C@@]2(C)NCCS2)c(C)c1	35653667	PZJGAGAQAWXYDL-ZDUSSCGKSA-N	221.369	3.121	0	50	BGAA	
O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccc(Cl)c1	101671820	KIDDIYHMTIAMTB-OUJBWJOFSA-N	249.741	3.258	0	50	BGAA	
CO[C@H](C)c1cccc(-c2ccncc2N)c1	426504458	HEIGWVPPRYIAKN-SNVBAGLBSA-N	228.295	3.038	0	50	BGAA	
C=CC(=O)Nc1nc2c(Cl)cccc2s1	865998702	RWBMZHHIIQJALR-UHFFFAOYSA-N	238.699	3.074	0	50	BGAA	
CCCCS[C@@H](C)C(=O)Nc1ccsn1	952883935	TUTIFCAFEWWMCX-QMMMGPOBSA-N	244.385	3.003	0	50	BGAA	
CN(C)c1ccc(NC(=O)c2ccccc2)cc1	30317	FAGWWPIMUCTINN-UHFFFAOYSA-N	240.306	3.005	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1cccc(OC)c1	30886	CDDHCTNROLBXOH-JTQLQIEISA-N	221.300	3.070	0	50	BGAA	
COc1ccc(-c2csc(N)n2)cc1Cl	374908	ZFQOKZYZFZSZKA-UHFFFAOYSA-N	240.715	3.054	0	50	BGAA	
Nc1ccc(Sc2ccccn2)c(Cl)c1	1426165	PACAIUWMHIKTMI-UHFFFAOYSA-N	236.727	3.468	0	50	BGAA	
Cc1n[nH]c(C)c1CCCOc1ccccc1	2486270	VAHRXUSWNHLLGG-UHFFFAOYSA-N	230.311	3.038	0	50	BGAA	
Nc1cc(Br)cc(C(F)(F)F)c1	2560114	HJTLKVYOWNTDPF-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	
CCOc1ccccc1CNCc1ccccc1	6703706	ZAWAFOADCBZUOR-UHFFFAOYSA-N	241.334	3.375	0	50	BGAA	
COc1ccc(C)cc1-c1cn2ccccc2n1	12404808	VFSKBVIPCILNPN-UHFFFAOYSA-N	238.290	3.318	0	50	BGAA	
Clc1ncnc(Cl)c1-c1ccccc1	25491423	NYEOKRVTIYIBGF-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
C[C@@]12Oc3ccccc3[C@H]1COc1ccccc12	71778194	OBFBQUXBXYBNCD-CJNGLKHVSA-N	238.286	3.470	0	50	BGAA	
CC1=CC[C@@H]2C(=O)[C@@H]3CC(C)=CC[C@@H]3C(=O)[C@H]2C1	105105631	KPSCBYIEVIABQP-XDQVBPFNSA-N	244.334	3.083	0	50	BGAA	
Cc1cc(C(=O)OC(C)(C)C)c(Cl)cc1N	725239865	SSDJJFTXPUNDJX-UHFFFAOYSA-N	241.718	3.186	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@H]1C[C@H](C)N[C@H](C)C1	757216231	ZEVBEDOHUMLBSF-ZSBIGDGJSA-N	243.354	3.115	0	50	BGAA	
Clc1ccc(-c2c[nH]c3ccccc23)nn1	168238	CLXGESVVZOJONY-UHFFFAOYSA-N	229.670	3.278	0	50	BGAA	in-vitro
O=C(O)c1ccc(CN2CCCCCCC2)cc1	207197	RZBGIUDARKWDFT-UHFFFAOYSA-N	247.338	3.151	0	50	BGAA	
Nc1ccc(Cl)cc1[C@H](O)c1ccccc1	265649	PAHDPXOLONPKTP-CYBMUJFWSA-N	233.698	3.004	0	50	BGAA	
Nc1c(Cl)cc(Cl)cc1Br	403474	DTPADCOGQUOGHT-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	in-vitro
Cn1c(-c2ccccc2)cc(-c2ccccc2)[n+]1C	2006083	LBGPXIPGGRQBJW-UHFFFAOYSA-N	249.337	3.184	0	50	BGAA	in-vitro
CCN(CC)C(=O)c1ccc(Cl)c(F)c1F	2854085	KCXLCPMACUYNMR-UHFFFAOYSA-N	247.672	3.100	0	50	BGAA	
CCCOc1ccc(CN(C)C)cc1Cl	2886584	FBXZUKLYZGHYIF-UHFFFAOYSA-N	227.735	3.190	0	50	BGAA	
CCCCOc1cccc2[nH]c(C(=O)OC)cc12	4235081	DDYHVHFRXTVEJU-UHFFFAOYSA-N	247.294	3.133	0	50	BGAA	
Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2C[C@H]2C)c1	16552025	DTNMDRGGBPTCIP-DYEKYZERSA-N	231.339	3.137	0	50	BGAA	
CC(C)(C)c1ccc(-c2nnc(S)[nH]2)cc1	18066040	IOJOIOYNUDYUPU-UHFFFAOYSA-N	233.340	3.058	0	50	BGAA	
C[C@@H](NC1CCCC1)c1nc2ccccc2n1C	19883599	QYTGVJYLYNIHIF-LLVKDONJSA-N	243.354	3.167	0	50	BGAA	
CN1CCC[C@H]1CNc1cccc2ccccc12	32229467	XNUJQYGTHGYURE-AWEZNQCLSA-N	240.350	3.346	0	50	BGAA	
CCOC(=O)c1cnc2c(Cl)cccc2c1	72206393	VCTDXHDHWDZBHT-UHFFFAOYSA-N	235.670	3.065	0	50	BGAA	
Fc1ccccc1[C@@H]1CCN(c2ccncc2)C1	77391971	YZIFPWHVGKYGLW-GFCCVEGCSA-N	242.297	3.215	0	50	BGAA	
CC(=O)Nc1cccc(N[C@@H]2CCC[C@@H]3C[C@@H]32)c1	302679866	PHPXEGHPFALRLI-BYCMXARLSA-N	244.338	3.246	0	50	BGAA	
Cc1n[nH]cc1-c1ccc(F)c(Cl)c1	725272385	PUGZMUIAKCJWNX-UHFFFAOYSA-N	210.639	3.178	0	50	BGAA	
Cc1ccc2oc(C(F)(F)F)cc(=O)c2c1	117891	WYMTYLOCOXMWIO-UHFFFAOYSA-N	228.169	3.120	0	50	BGAA	
c1cncc(CN[C@@H]2CCCc3ccccc32)c1	183725	CCZUQBAVKRBDBG-MRXNPFEDSA-N	238.334	3.249	0	50	BGAA	in-vitro
CCOc1ccccc1NC(=O)c1occc1C	252871	FFFKBXTXOJFABL-UHFFFAOYSA-N	245.278	3.239	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)C1CCCCC1	303163	BMMBTNZYVVEHJN-CYBMUJFWSA-N	223.360	3.358	0	50	BGAA	
Oc1ccc(C2=Cc3ccc(O)cc3OC2)cc1	1491943	ZZUBHVMHNVYXRR-UHFFFAOYSA-N	240.258	3.031	0	50	BGAA	biogenic,investigational
CCCOC(=O)Nc1ccc(C)c(C)c1	2172155	AWUJZBDECORJIN-UHFFFAOYSA-N	207.273	3.262	0	50	BGAA	
CCCCO/C=C(\C)C(=O)OCCCC	3074841	LAPXYBLKWDDJBY-ZHACJKMWSA-N	214.305	3.050	0	50	BGAA	
c1ccc(-c2cnnc3ccccc23)cc1	5491228	OAOOODCTWFOHQL-UHFFFAOYSA-N	206.248	3.297	0	50	BGAA	
NC(=O)Nc1ccc(-c2ccc(Cl)cc2)cc1	35287520	XLCKIYVZBSMIST-UHFFFAOYSA-N	246.697	3.498	0	50	BGAA	
Fc1ccc(-c2oncc2Br)cc1	86012912	IWFHVLVLBNQSEN-UHFFFAOYSA-N	242.047	3.243	0	50	BGAA	in-vitro
CC(C)(C)c1nc(Cl)nc(C(C)(C)C)n1	148736163	VQGDXNFMWSFZSX-UHFFFAOYSA-N	227.739	3.120	0	50	BGAA	in-vitro
NCc1c(Cl)cc(OC(F)F)cc1Cl	263625308	YPONWGIFHFPDQG-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
Cc1ccc(-c2nc(C3CCCC3)no2)nc1C	331628478	VDYQFSVCWMEDBL-UHFFFAOYSA-N	243.310	3.406	0	50	BGAA	
c1ccc2[nH]c(-c3ocnc3CC3CC3)nc2c1	2356145021	XFRCARRVCXYBRN-UHFFFAOYSA-N	239.278	3.170	0	50	BGAA	
O[C@H](c1cccc(F)c1)c1ccc(F)c(F)c1	4290150	BNJQWECBHNESTE-CYBMUJFWSA-N	238.208	3.186	0	50	BGAA	
OCCc1ccc2oc3ccccc3c2c1	4798795	WPZHNNYFWNCMQM-UHFFFAOYSA-N	212.248	3.121	0	50	BGAA	
CCCn1c(CCc2ccccc2)n[nH]c1=S	5904325	KARPAFCPKLMQFH-UHFFFAOYSA-N	247.367	3.136	0	50	BGAA	
CCOC(=O)c1ccc(Cl)c(Cl)c1	34583730	YONQPSPHUKKUEJ-UHFFFAOYSA-N	219.067	3.170	0	50	BGAA	in-vitro
C[C@@H](CCCC(C)(C)O)N[C@@H]1C[C@H]2CC[C@H]1C2	103407305	UMCMZLWKTDRKEK-XDQVBPFNSA-N	239.403	3.094	0	50	BGAA	
C[C@@H]1CC(C)(C)C[C@@H]1NCc1nccs1	192391009	JRPPSBCPNMNQKV-ZJUUUORDSA-N	224.373	3.057	0	50	BGAA	
Cc1ccc2ncnc(N[C@@H]3C[C@H]3C3CC3)c2c1	362373290	IUOGLGVEJZNWTJ-SMDDNHRTSA-N	239.322	3.149	0	50	BGAA	
FC1(F)C[C@H]1Cn1ccnc1-c1cccs1	691163066	FBZQKBHUMKATLY-QMMMGPOBSA-N	240.278	3.267	0	50	BGAA	
CCC(CC)[C@H](N)C1(O)CCCCCCC1	958528229	OYTAJWGOZNTHLX-ZDUSSCGKSA-N	227.392	3.225	0	50	BGAA	
Nc1nn(-c2ccccc2)cc1-c1cccs1	1402405	WSYFYRKSZUQZTL-UHFFFAOYSA-N	241.319	3.183	0	50	BGAA	
O=C(Nc1ccncc1)Nc1ccc(F)cc1F	2858615	ZYJWOSADBXOSQG-UHFFFAOYSA-N	249.220	3.004	0	50	BGAA	aggregator
CCCC[C@@H]1OC[C@@H](c2ccccc2)O1	3075531	VCHONKRHHVVDLP-QWHCGFSZSA-N	206.285	3.291	0	50	BGAA	
O=C(O)C[C@H](c1ccccc1)c1ccc(F)cc1	5068551	NKBOILGAWSETPR-CQSZACIVSA-N	244.265	3.432	0	50	BGAA	
Cc1cc(C(=O)O)c(Cl)cc1Cl	26891751	VZSHNAFYRXEKKI-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	
Fc1ccc(Br)c(Cl)c1F	65356415	GSTGHIPMRLSCQO-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	
Cc1ccc(CN(C)c2nccc(C(C)C)n2)o1	91986476	QKIJOMCRNIQABL-UHFFFAOYSA-N	245.326	3.138	0	50	BGAA	
COc1cccc2c1[C@H]1C=C[C@H]2[C@H]2C=C[C@H]21	248266492	ZKOWCPSHYWPWGS-XZUYRWCXSA-N	210.276	3.248	0	50	BGAA	
CCCOc1cccc(-c2nc(C)nn2CC)c1	426360426	RDVNTAYWCYBHOE-UHFFFAOYSA-N	245.326	3.062	0	50	BGAA	
Cc1cc(C2CCC2)nc(-c2cccnc2)n1	426510561	BKCUAIYHDUOPKD-UHFFFAOYSA-N	225.295	3.115	0	50	BGAA	
COc1c(C)cc(-c2nc(C)cnc2C)cc1C	1241015748	KFPGRMDTJVMXAH-UHFFFAOYSA-N	242.322	3.386	0	50	BGAA	
CC[C@H]1CCCN(Cc2nc(C)c(C)n2C)CC1	1506403924	POEYJTMKPPOMBM-AWEZNQCLSA-N	249.402	3.049	0	50	BGAA	
c1cc(-c2nccn2Cc2ccsc2)ccn1	1875246724	LDHUCHIDTSKORJ-UHFFFAOYSA-N	241.319	3.055	0	50	BGAA	
Cc1csc(NC(=O)Nc2ccccc2)n1	65345	CWXLJZREAGTWLR-UHFFFAOYSA-N	233.296	3.096	0	50	BGAA	
CC(=O)c1cccc(N2Cc3ccccc3C2)c1	90458	FXTFOHXGXTYBEU-UHFFFAOYSA-N	237.302	3.409	0	50	BGAA	
CC(C)CCn1c([C@@H](C)O)nc2ccccc21	210263	PBOHESJEVQYCEV-LLVKDONJSA-N	232.327	3.136	0	50	BGAA	
CC(C)CNCCCCCCNCC(C)C	2563384	LTRQCWUIJWVNNK-UHFFFAOYSA-N	228.424	3.038	0	50	BGAA	
CC(C)c1ccc(CNC[C@@H]2CCCO2)cc1	4992717	MOLBNKNCTMSTFQ-HNNXBMFYSA-N	233.355	3.079	0	50	BGAA	
Fc1ccc(NC(=S)Nc2ccccn2)cc1	5594483	FUTSUOUAHSSQGO-UHFFFAOYSA-N	247.298	3.030	0	50	BGAA	
C[C@H](OC(=O)Nc1ccccc1)C1CC1	5641385	YMENJNIPYVAVJY-VIFPVBQESA-N	205.257	3.034	0	50	BGAA	
CCc1ccc(CC(=O)Nc2ccccc2)cc1	10701370	DINSGOJMPOBCRG-UHFFFAOYSA-N	239.318	3.430	0	50	BGAA	
C[C@H]1CCC[C@@H](C)N1C(=O)C1CCCCC1	12727795	CFSVDFDJZBYXIZ-TXEJJXNPSA-N	223.360	3.356	0	50	BGAA	
c1cc(-c2ccn[nH]2)cc(-c2nccs2)c1	20453816	HCZMEGAWZHLEPJ-UHFFFAOYSA-N	227.292	3.200	0	50	BGAA	
C[C@H](Oc1ccccc1)[C@@H](O)c1ccccc1	34557585	OQOWAWAHPZPZOH-SWLSCSKDSA-N	228.291	3.188	0	50	BGAA	
CC(C)(C)[C@@H]1CC(=O)[C@@H](C(C)(C)C)CC1=O	44559772	QGMVFJOKDPISNS-AOOOYVTPSA-N	224.344	3.243	0	50	BGAA	
C1=CC[C@]23CC(O[C@H]4CCCCO4)C[C@]2(C1)C3	104126224	VUQBOEWMKVXUTQ-RRFJBIMHSA-N	234.339	3.419	0	50	BGAA	
Cc1oncc1-c1csc(-c2ccccn2)n1	194940437	ALTXENCQXAJBNB-UHFFFAOYSA-N	243.291	3.169	0	50	BGAA	
O=C(Nc1ccccc1)N1[C@H]2C=CC[C@H]1CC2	208025334	DGTFPDMWMHVCGT-STQMWFEESA-N	228.295	3.011	0	50	BGAA	
Brc1cnc2[nH]c(C3CC3)cc2c1	220581551	YEOZBKXAAHBPAP-UHFFFAOYSA-N	237.100	3.203	0	50	BGAA	
CC(C)(C)OC(=O)N[C@@H](CF)c1ccccc1	575447533	URSFJYUZIMUYRH-NSHDSACASA-N	239.290	3.222	0	50	BGAA	
CSc1nnc(-c2ccccc2Cl)o1	272679	SVTIZJQBSVPETN-UHFFFAOYSA-N	226.688	3.112	0	50	BGAA	
O=C(O)[C@H]1CC1(c1ccccc1)c1ccccc1	285758	YITOQLBHYDWJBQ-CQSZACIVSA-N	238.286	3.077	0	50	BGAA	biogenic
COc1cc(NCc2ccsc2)cc(OC)c1	757814	CUMZKICIVXKFCU-UHFFFAOYSA-N	249.335	3.377	0	50	BGAA	
CC(C)CC(=O)N(CC(C)C)CC(C)C	1664956	OVSBARXYOXKZDE-UHFFFAOYSA-N	213.365	3.173	0	50	BGAA	
COc1ccc(-c2ccccc2)c(C(=O)O)c1	1766281	FNXYJNSEVNHBFK-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
FC(F)(F)c1cccc(CC2CCNCC2)c1	2555433	PZWXUYUFCRMWPP-UHFFFAOYSA-N	243.272	3.248	0	50	BGAA	
CC(C)=CCC[C@H](C)CCNCCCN(C)C	3002638	FWIVRDOYMAXCAR-HNNXBMFYSA-N	240.435	3.300	0	50	BGAA	
c1cncc(CNC2CCCCCCC2)c1	3683463	CKRJCPUPWKBCRV-UHFFFAOYSA-N	218.344	3.284	0	50	BGAA	
Clc1c2c(nc3ccccc13)CCC2	4110377	GSUKEUPKOXDHCG-UHFFFAOYSA-N	203.672	3.377	0	50	BGAA	in-vitro
CCCN(Cc1ccc(OC)cc1)CC1CC1	4988637	RAVPIWRUUJQVSK-UHFFFAOYSA-N	233.355	3.317	0	50	BGAA	
COc1ccccc1CNc1cc(C)ccn1	8301745	DQTYKRWNTJBXSF-UHFFFAOYSA-N	228.295	3.011	0	50	BGAA	
Cc1cc(C(=O)Nc2ccccc2C(C)C)no1	12615372	ONKXBOIVPUYHEY-UHFFFAOYSA-N	244.294	3.359	0	50	BGAA	
O=Cc1ccc(OCc2ccc(F)c(F)c2)cc1	14007873	ZTEWSBQTOYYFFO-UHFFFAOYSA-N	248.228	3.356	0	50	BGAA	in-vitro
CCc1cc(C(=O)N2CCC(C)CC2)cs1	16603358	YRHRCCZLJJATEY-UHFFFAOYSA-N	237.368	3.183	0	50	BGAA	
Cc1cccc(C)c1N1Cc2ccccc2C1=O	34483440	LGTOKWZWLZHLFJ-UHFFFAOYSA-N	237.302	3.464	0	50	BGAA	
CCCn1c(C)c(C=O)c2ccc(C)cc21	34925326	BISNZAZKFUYVDT-UHFFFAOYSA-N	215.296	3.481	0	50	BGAA	
CCCCCC[C@@](C)(C(=O)O)N1CCCCC1	37361955	HJSICQOHDUAQEO-AWEZNQCLSA-N	241.375	3.286	0	50	BGAA	
Cc1cccc(Br)c1S	71792188	NDMGTPAJFVXXFH-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
O=C1CCc2c(Br)ccc(Cl)c21	84192972	MILQBZVMFHXNNO-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
c1cncc(Cn2ccnc2-c2cccs2)c1	164227164	IEDZDRYTHQOHIH-UHFFFAOYSA-N	241.319	3.055	0	50	BGAA	
O=C(O)C(=C1CCCCC1)c1ccccc1	196339983	IYRMGELFNCXYBQ-UHFFFAOYSA-N	216.280	3.489	0	50	BGAA	
COc1ccc(Oc2ccccc2)c(O)c1	238405815	MOAMYMFWQBFSGS-UHFFFAOYSA-N	216.236	3.193	0	50	BGAA	
Fc1ccc(Br)nc1C(F)(F)F	238620890	NEMDVTHUXJKSDX-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	in-vitro
c1ccc([C@@H]2NCC23CCCCC3)cc1	299805401	MPADXOGTSKTMMS-ZDUSSCGKSA-N	201.313	3.281	0	50	BGAA	
CCOc1cccc(-c2[nH]nc3ncccc23)c1	426551959	JALITMGVGLLWEK-UHFFFAOYSA-N	239.278	3.024	0	50	BGAA	
CCN(CCC=C(C)C)C[C@@H]1CCN(CC)C1	1506414604	QXARVZKQQOAPDA-HNNXBMFYSA-N	238.419	3.006	0	50	BGAA	
CCC(=O)c1ccc(Br)cc1	65216	UOMOSYFPKGQIKI-UHFFFAOYSA-N	213.074	3.042	0	50	BGAA	
Cc1cccc(Cl)c1NC(=O)NCC(C)C	396819	TYQDSPDYFUWAGZ-UHFFFAOYSA-N	240.734	3.426	0	50	BGAA	
c1ccc(CNCc2cccs2)cc1	570898	GEWKIDGKZRKUFB-UHFFFAOYSA-N	203.310	3.038	0	50	BGAA	in-vitro
CC(C)Cc1ccc(/C=C/C(=O)NC2CC2)cc1	1000105	CDRWKOGHWJOOCM-JXMROGBWSA-N	243.350	3.177	0	50	BGAA	
COc1ccc(Oc2ccccc2N)cc1	1617603	YNMZTLWFOGGZEV-UHFFFAOYSA-N	215.252	3.070	0	50	BGAA	
CC(=O)COc1ccc(-c2ccccc2)cc1	4056167	TYMKZKHZVXYJPK-UHFFFAOYSA-N	226.275	3.321	0	50	BGAA	in-vitro
CCOc1cccc(C(=O)NC2CCCCC2)c1	4195767	WVELEGYJTOJDST-UHFFFAOYSA-N	247.338	3.148	0	50	BGAA	
CC(C)Oc1ccc(N)cc1C(F)(F)F	8702480	SQZVIBGPQPZUCA-UHFFFAOYSA-N	219.206	3.075	0	50	BGAA	
O=C(NC1CCCC1)N1CCC[C@H]1c1ccco1	15837982	OBDMENULULOMLL-LBPRGKRZSA-N	248.326	3.069	0	50	BGAA	
CC(C)(C(=O)O)c1ccc(Cl)c(Cl)c1	33487179	HABYUGCUALNAMM-UHFFFAOYSA-N	233.094	3.356	0	50	BGAA	in-vitro
CC[C@]12C[C@@H]3C[C@H](C1)C[C@@](C(=O)O)(C3)C2	100231786	ZJBLNYRNJSFPQO-ORGJANLZSA-N	208.301	3.068	0	50	BGAA	
O=C1[C@H]2C=CC=C[C@H]1[C@H]1C[C@H]2C2=C1[C@H]1CC[C@H]2C1	104297134	SQVMXNRXYJTIPU-SNIKSBKOSA-N	238.330	3.290	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2ccc(O)nc2)c1	426575101	XLBIGSVBNARKKY-JTQLQIEISA-N	229.279	3.162	0	50	BGAA	
C=CC(=O)N(C1CCC(CC)CC1)C1CC1	1335860077	JBFHZOIHZXDGPW-UHFFFAOYSA-N	221.344	3.132	0	50	BGAA	
COc1ccccc1CN[C@@H]1CCCC[C@@H]1C	183464	FYWXKQKJNZOYEM-GXTWGEPZSA-N	233.355	3.364	0	50	BGAA	
Cc1nc(Cl)cc(-c2ccccc2)n1	300028	MKRVYJDOHARDKT-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	in-vitro
CC(C)N(C(=O)c1ccco1)c1ccccc1	390166	YEMOTGPLPVXAIR-UHFFFAOYSA-N	229.279	3.335	0	50	BGAA	
O=C(O)Cc1ccc(C2CCCCC2)cc1	1575003	ZHMWKJWMWIWEPJ-UHFFFAOYSA-N	218.296	3.361	0	50	BGAA	in-vitro
Fc1c(F)c(F)c(Br)c(F)c1F	1583744	XEKTVXADUPBFOA-UHFFFAOYSA-N	246.960	3.145	0	50	BGAA	biogenic,in-vitro
O=c1c2c([nH]c3cc(Cl)ccc13)CCCC2	5043084	HIIMAULBOMFTFN-UHFFFAOYSA-N	233.698	3.060	0	50	BGAA	
CNC[C@@H]1O[C@H]2CCCC[C@@H]2c2sccc21	6657972	SSQGFXDMCNKSBL-DLOVCJGASA-N	237.368	3.065	0	50	BGAA	
CC1=C(c2ccccc2)[N+](=O)C2(CCCC2)N1O	12730024	KUIZNEKCURVIPZ-UHFFFAOYSA-N	245.302	3.129	0	50	BGAA	
Cc1ccccc1NC(=S)Nc1ccccn1	13634507	NWZAUKPEJKZNCA-UHFFFAOYSA-N	243.335	3.199	0	50	BGAA	
CC(=O)Oc1c(C)ccc2ccccc12	21303015	WVOAPRDRMLHUMI-UHFFFAOYSA-N	200.237	3.074	0	50	BGAA	
O=C(O)C1(Cc2ccccc2)CCCCC1	41231232	KIBHWMRCNKMKQJ-UHFFFAOYSA-N	218.296	3.264	0	50	BGAA	
Brc1ccc2c(c1)CCCC2	49697803	UZTQYWLWRFMSSF-UHFFFAOYSA-N	211.102	3.328	0	50	BGAA	
CCC(CC)NC(=O)Cc1cc(C)ccc1C	72437342	ACCHPQNLHXREFP-UHFFFAOYSA-N	233.355	3.151	0	50	BGAA	
C1=[N+](C2CCCCC2)CCN1C1CCCCC1	77989075	FPCRBISAWDWBOZ-UHFFFAOYSA-N	235.395	3.008	0	50	BGAA	
OCC12C3c4ccccc4[C@H]1[C@@H]2c1ccccc13	104949522	VGFGSYOSQGRUNO-YZUHTNEWSA-N	234.298	3.005	0	50	BGAA	
COCCCOc1cccc(Cl)c1Cl	169725178	IHXYHFCGRUXPDS-UHFFFAOYSA-N	235.110	3.409	0	50	BGAA	
Cc1c(N)cc(OCc2ccccc2)cc1F	306890108	YKMAVFAFWFMNQO-UHFFFAOYSA-N	231.270	3.295	0	50	BGAA	
CC1(C)[C@@H](CCN)[C@@H]1c1cc2ccccc2[nH]1	334162950	IOFVCEYFMLOXMV-SMDDNHRTSA-N	228.339	3.256	0	50	BGAA	
S=C(Nc1ccccc1)c1ccccc1	28345	BOQKCADLPNLYCZ-UHFFFAOYSA-N	213.305	3.474	0	50	BGAA	biogenic
COc1ccccc1NC(=O)NC1CCCCC1	246618	TWPKPXTUFRHWCS-UHFFFAOYSA-N	248.326	3.149	0	50	BGAA	
C[C@@H]1CCC[C@@H](NC(=O)c2ccccc2F)C1	390013	NDNWNFDBNWNMQG-GHMZBOCLSA-N	235.302	3.134	0	50	BGAA	
C[C@@H]1CCCC[C@H]1NC(=O)NC1CCCCC1	395828	ANYYUZRBKJKUKO-DGCLKSJQSA-N	238.375	3.197	0	50	BGAA	
COc1ccc(NC(=O)SC(C)C)cc1	396758	CGFYIQYVXORNHS-UHFFFAOYSA-N	225.313	3.369	0	50	BGAA	
CCOc1ccccc1NC(=O)c1ccoc1C	461571	PXXUPSHSWYUKHL-UHFFFAOYSA-N	245.278	3.239	0	50	BGAA	
CCN(CC)C(=O)c1ccc(C(C)C)cc1	475216	HCGNYUNQOPGGDU-UHFFFAOYSA-N	219.328	3.292	0	50	BGAA	
C[C@@H]1CCC[C@H](NCc2ccc3c(c2)OCO3)C1	756999	CWGJTPQDJXRMRM-YPMHNXCESA-N	247.338	3.084	0	50	BGAA	
CCCC(=O)Nc1nc2ccc(F)cc2s1	1255918	IVLHHRJBZHFVIC-UHFFFAOYSA-N	238.287	3.174	0	50	BGAA	
CC(C)(C)c1ccccc1OCCN1CCCC1	4472859	FHGOJOCCKBAYLC-UHFFFAOYSA-N	247.382	3.459	0	50	BGAA	
O=C(O)c1cncc(-c2ccccc2Cl)c1	12955796	HEDDIFGTGPJAQH-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
Cc1cc(C)c(OCCCn2ccnc2)c(C)c1	13140576	NOYBSQMFVVVWJZ-UHFFFAOYSA-N	244.338	3.277	0	50	BGAA	
Clc1ncc(-c2ccccc2)c(Cl)n1	39213311	JGQCQTSPGLAPOG-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	in-vitro
FC(F)(F)c1cc2cc[nH]c2c(Cl)n1	89219597	PJDRTVUWYASEJF-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	in-vitro
CC[C@H]1CCCN(Cc2cnn(C(C)C)c2)CC1	179816611	ZBTQGXAWDGPNME-AWEZNQCLSA-N	249.402	3.476	0	50	BGAA	
Cc1ccc(-c2ccc(C=O)nc2)c(C)c1	675073863	OEUCFVZAIKUKKR-UHFFFAOYSA-N	211.264	3.178	0	50	BGAA	
O=C(Cc1ccccc1)Nc1ccc(F)cc1	29272	QWJXFNYAVPBLDW-UHFFFAOYSA-N	229.254	3.007	0	50	BGAA	
O=C(Nc1cccc(O)c1)c1ccccc1Cl	410280	MSQZKRHUFBMGEE-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
CC(C)(C)c1ccc(N)c(Br)c1	1675822	OLKYFBNIFKQRIZ-UHFFFAOYSA-N	228.133	3.329	0	50	BGAA	in-vitro
O=C(CCc1ccc(O)cc1)c1ccccc1	1730091	WYRIUKIUHKMEJX-UHFFFAOYSA-N	226.275	3.208	0	50	BGAA	biogenic
CC(C)c1cccc(OCCCN(C)C)c1	2823869	CKMDFSDJDTWGNN-UHFFFAOYSA-N	221.344	3.141	0	50	BGAA	
O=C(O)c1ccc2[nH]c3c(c2c1)CCCCC3	4205286	SIZBLUIRHOCGJA-UHFFFAOYSA-N	229.279	3.135	0	50	BGAA	biogenic,in-vitro
Cc1ccc([C@@H](O)c2ccc(F)cc2)cc1	4255958	RUPDLRIDZKCKHV-CQSZACIVSA-N	216.255	3.216	0	50	BGAA	
C[C@@]1(c2ccccc2)OC(=O)c2ccccc21	4792710	SPUQBDKMCCUCNO-HNNXBMFYSA-N	224.259	3.121	0	50	BGAA	
CCCOc1ccccc1Br	13379796	KNYXKEPPOIKGDM-UHFFFAOYSA-N	215.090	3.238	0	50	BGAA	in-vitro
CCC/C=C/c1ccccc1C(=O)NCC	67872024	VZPPEUXYDWBYDI-RMKNXTFCSA-N	217.312	3.250	0	50	BGAA	
C[C@@H]1C=CC[C@]23CCc4ccccc4[C@@]12COC3	101139430	XVTDUMANZNBCJR-KBRIMQKVSA-N	240.346	3.483	0	50	BGAA	
NCc1c(Cl)ccc(OC(F)F)c1Cl	263624588	RUNFIUBNLYVZNQ-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
CO[C@H](C)c1ccc(-c2nncc(C)c2C)cc1	2356157282	IOQDEMOKGNZGLQ-GFCCVEGCSA-N	242.322	3.468	0	50	BGAA	
CC1=C2C(=O)O[C@@H](c3ccoc3)[C@@]2(C)CCC1	265487	XYYAFLHHHZVPRN-JSGCOSHPSA-N	232.279	3.384	0	50	BGAA	biogenic,in-vitro
COc1ccc(OCc2ccccc2)cc1	393839	YXPFQYIWXTVCKV-UHFFFAOYSA-N	214.264	3.274	0	50	BGAA	in-vitro
Cc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)o1	433806	VLYORHNREQTXMS-CMDGGOBGSA-N	245.253	3.379	0	50	BGAA	
CCCC(=O)Nc1ccccc1N1CCCCC1	465247	LKKAJFSRXZTZCG-UHFFFAOYSA-N	246.354	3.416	0	50	BGAA	
Cc1occc1C(=O)Nc1cc(C(C)(C)C)on1	1056146	SEBFKRQYDKHURI-UHFFFAOYSA-N	248.282	3.126	0	50	BGAA	
CCCNC(=O)Nc1ccc(Cl)cc1C	2171729	GLJDLBLASYSWCO-UHFFFAOYSA-N	226.707	3.180	0	50	BGAA	
O=C(O)Cc1cccc(-c2cc(F)cc(F)c2)c1	2513034	MELOHJJXMCEACL-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	
COC(=O)CCCc1ccc2c(c1)CCCC2	4776284	SWCMAQWTHSCROC-UHFFFAOYSA-N	232.323	3.061	0	50	BGAA	
CCn1c(CC2CCCCC2)n[nH]c1=S	6125691	KLYYEPJPHGPTAT-UHFFFAOYSA-N	225.361	3.083	0	50	BGAA	
CCCCO[P@@]1(=O)COc2ccccc2O1	6635624	SPJHCIRTIZORLB-INIZCTEOSA-N	242.211	3.425	0	50	BGAA	
CC[C@@H](N)c1ccc(C(F)(F)F)cc1	8698406	YOETTZCHIABKPH-SECBINFHSA-N	203.207	3.115	0	50	BGAA	in-vitro
Cc1ccc(COc2ccccc2C(=O)O)cc1	9237062	ROMNRINEOJSXGP-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
CCCCCCc1ncncc1Br	15021322	WVYJYKUDFFKVKU-UHFFFAOYSA-N	243.148	3.362	0	50	BGAA	in-vitro
Fc1ccc(C2=NCCc3ccccc32)cc1	39304508	ABOCLVHNYWRZEE-UHFFFAOYSA-N	225.266	3.219	0	50	BGAA	
CC1(C)CCCc2c(Cl)nc(Cl)nc21	86849280	PCBRUJALJWOQSU-UHFFFAOYSA-N	231.126	3.397	0	50	BGAA	
CCC[C@H]1CCCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1	248192418	MIENYBXBBDIKNN-IGQOVBAYSA-N	235.371	3.071	0	50	BGAA	
Oc1cc(F)ccc1OCc1ccccc1	261494054	ORISGXUZQKJNOS-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	
Nc1cnccc1-c1cnc2cc(F)ccc2c1	1875244913	AGQMPAZPYSCDMU-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
Cc1ccc(NC(=O)c2ccccc2)cc1	164223	YUIHXKGKVSVIEL-UHFFFAOYSA-N	211.264	3.247	0	50	BGAA	biogenic,in-vitro
FC(F)(F)c1ccc(Br)cc1	164872	XLQSXGGDTHANLN-UHFFFAOYSA-N	225.007	3.468	0	50	BGAA	
Cc1ccccc1C(=O)N[C@H]1CCCC[C@H]1C	313143	NFPWJMSVIZIPLV-OCCSQVGLSA-N	231.339	3.304	0	50	BGAA	
CCCCOC(=O)Nc1ccc(C)cc1	1770639	DLZISSWLXPQXGC-UHFFFAOYSA-N	207.273	3.344	0	50	BGAA	
Fc1ccc(OCCN2CCCCCC2)cc1	4978622	RWPXFENCIKRJNH-UHFFFAOYSA-N	237.318	3.081	0	50	BGAA	
Cc1nc2cc(C(F)(F)F)ccc2o1	9940840	SAEYCFGBSOYYAM-UHFFFAOYSA-N	201.147	3.155	0	50	BGAA	in-vitro
CC(C)NCc1ccc(-c2ccccc2)o1	10436232	WPPQAAJWSRLDOO-UHFFFAOYSA-N	215.296	3.445	0	50	BGAA	
Fc1ccc(CCNCCc2ccccc2)cc1	10475188	PQVNYPDACGFHNU-UHFFFAOYSA-N	243.325	3.201	0	50	BGAA	
O=C(Nc1nccs1)C1[C@@H]2CCC=CCC[C@@H]12	108668854	CNVSWBFDWIIJKA-NXEZZACHSA-N	248.351	3.074	0	50	BGAA	
O=[N+]([O-])/C=C/c1c[nH]c2cc(Cl)ccc12	116925574	AJSOAMODRCFPIG-ONEGZZNKSA-N	222.631	3.069	0	50	BGAA	
O=C(O)c1cc(Br)ccc1C1CC1	211685110	NMLDRLWYSYDNGT-UHFFFAOYSA-N	241.084	3.025	0	50	BGAA	
CCCCCC[C@@H](C)N[C@H](C)c1cn[nH]c1	222513404	PRPFUBSTUIUSDZ-VXGBXAGGSA-N	223.364	3.419	0	50	BGAA	
CC[C@H](O)CN1CCC[C@@H](c2ccccc2)CC1	247559058	FVTHQNQMPCZNGL-CVEARBPZSA-N	247.382	3.027	0	50	BGAA	
COc1c(C)cc(-c2cn(C)nc2C)cc1C	649442543	UKDFNGLENQGLNE-UHFFFAOYSA-N	230.311	3.021	0	50	BGAA	
C=CC(=O)N1CCCC[C@@H]1c1ccc(CC)o1	820436680	HBRBHXWVQRGIHR-GFCCVEGCSA-N	233.311	3.082	0	50	BGAA	
Cc1cccc(NC(=O)Nc2nc(C)cs2)c1	137617	GDXYOBACYPJJOL-UHFFFAOYSA-N	247.323	3.404	0	50	BGAA	
CC(C)CCOc1ccc(/C=C/C(=O)O)cc1	266118	UEPNKZTXVRVVQK-VMPITWQZSA-N	234.295	3.209	0	50	BGAA	biogenic
Cc1cc(OCCn2ccnc2)cc(C(C)C)c1	311819	KBROTVKNGBIPGT-UHFFFAOYSA-N	244.338	3.394	0	50	BGAA	
CC[C@H](C)NC(=S)Nc1ccccc1C	314663	XQILCVSAZFHUQY-JTQLQIEISA-N	222.357	3.080	0	50	BGAA	
c1ccc([C@@H]2COC3(CCCCC3)O2)cc1	402199	CQFCZQWQCFNZBM-ZDUSSCGKSA-N	218.296	3.435	0	50	BGAA	
CCC(CC)C(=O)Nc1ccc(F)c(F)c1	474991	WXODUHNIBGBDRE-UHFFFAOYSA-N	227.254	3.340	0	50	BGAA	
COc1ccc(Cl)cc1-n1cccc1	1519701	NMRAYHRHBYYRGP-UHFFFAOYSA-N	207.660	3.139	0	50	BGAA	in-vitro
Fc1ccc(Oc2cnccn2)c(Cl)c1	7737554	SXWIQXKJGPXVGZ-UHFFFAOYSA-N	224.622	3.061	0	50	BGAA	
Brc1ccc(CN2CCCC2)cc1	10495249	UKJIGXJYXLVARZ-UHFFFAOYSA-N	240.144	3.045	0	50	BGAA	in-vitro
CCCCCOc1cc(C=O)ccc1OC	11956913	RBKOEPNLFQXHJD-UHFFFAOYSA-N	222.284	3.077	0	50	BGAA	in-vitro
COc1ccccc1Nc1nc(C)cs1	13110696	HREUXIJSFDUAFV-UHFFFAOYSA-N	220.297	3.204	0	50	BGAA	
O=C(O)c1cc(Cl)ncc1-c1ccccc1	47207394	QFOXJKVKVWPVNJ-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
Fc1cc(OCc2ccccc2)cc2[nH]ncc12	85224295	ZMTWJVOKLKCQGT-UHFFFAOYSA-N	242.253	3.281	0	50	BGAA	
CCOC(=O)c1cc(F)c(Cl)c(Cl)c1	261185558	HILNCLOMFQPIMP-UHFFFAOYSA-N	237.057	3.309	0	50	BGAA	
CC(C)CCc1nc([C@H]2CCOC2)cs1	273814713	BXKRTPMQJQNRTR-JTQLQIEISA-N	225.357	3.236	0	50	BGAA	
COc1ccc(CN2CCC[C@H]2C2CC2)cc1F	363385087	UAVUYJHSXSWRNH-AWEZNQCLSA-N	249.329	3.209	0	50	BGAA	
CC(=O)c1ccc(F)cc1-c1c(C)n[nH]c1C	426412833	XPLXNZDOYAULEI-UHFFFAOYSA-N	232.258	3.035	0	50	BGAA	
Oc1ncccc1-c1cc(F)cc2cccnc12	426546270	WIVUNLPGGRZIEX-UHFFFAOYSA-N	240.237	3.142	0	50	BGAA	
CC1(C(=O)N2CCCCCCC2)C[C@H]2C[C@@H]2C1	585085847	DUWCBDXLALIIGH-CHWSQXEVSA-N	235.371	3.215	0	50	BGAA	
COc1cccc(Cl)c1-c1ccc(C=O)cn1	725376779	ZBAFDJZKBFARIL-UHFFFAOYSA-N	247.681	3.223	0	50	BGAA	
Cc1cc(C[C@@H](C)CC(C)(C)C)n(O)c(=O)c1	645	OIQJEQLSYJSNDS-LLVKDONJSA-N	237.343	3.009	0	50	BGAA	in-man
CN1c2ccccc2N(C)C1c1cccs1	40986	OEQXQGXGGOKFFG-UHFFFAOYSA-N	230.336	3.333	0	50	BGAA	
Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1	133397	WEAYCYAIVOIUMG-UHFFFAOYSA-N	246.331	3.136	0	50	BGAA	
CC(C)(C)C(=O)CSc1nc2ccccc2[nH]1	192057	APWJLMQHQAKTFR-UHFFFAOYSA-N	248.351	3.270	0	50	BGAA	
C[C@@H]1C[C@H](NC(=O)C2CCC2)CC(C)(C)C1	355256	ZFQBCIVKMLSSHD-PWSUYJOCSA-N	223.360	3.118	0	50	BGAA	
Cc1ccccc1CNC(=O)c1ccccc1C	452134	BSWPHVDHTRMPNC-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
CC(=O)N[C@@H]1CCCC[C@@H]1Sc1ccccc1	620655	ACBXUZBGFUCFHW-KGLIPLIRSA-N	249.379	3.226	0	50	BGAA	
Fc1ccc(Br)c2[nH]ccc12	2525088	PRXUTIXCOBFMMM-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
CC(C)CC(=O)NC1CCCCCCC1	4891767	JCFADKICWDGSSN-UHFFFAOYSA-N	211.349	3.262	0	50	BGAA	
CCCC[C@H](C(C)=O)C(=O)Nc1ccc(C)cc1	5793084	TWOVPKSKFWYQES-CQSZACIVSA-N	247.338	3.329	0	50	BGAA	
C[C@H]1CN(C)[C@@H](C)c2c1oc1ccc(N)cc21	13125084	QMKJMCYBXWJHIO-IUCAKERBSA-N	230.311	3.125	0	50	BGAA	
CCN(CC)CCOc1ccc(Cl)cc1	33809174	HWIJWVYJMZFHDN-UHFFFAOYSA-N	227.735	3.061	0	50	BGAA	
CCOC(=O)c1c(-c2ccccc2)nsc1C	91695878	GEGQKPGSXDIIQH-UHFFFAOYSA-N	247.319	3.295	0	50	BGAA	
Cc1cccc(/C=C/C(=O)N2C[C@H]3CC[C@H]2C3)c1	127016697	MXQSWGDCIFHRQY-ODYMAQSMSA-N	241.334	3.019	0	50	BGAA	
CCCOc1ccc2cc(O)ccc2c1	139083506	RZHYFKAUCHBXAH-UHFFFAOYSA-N	202.253	3.334	0	50	BGAA	
CCCCc1noc(C(Cl)(Cl)Cl)n1	526056054	JQPCSRGDWZRTFH-UHFFFAOYSA-N	243.521	3.239	0	50	BGAA	
COc1nc2ccccc2cc1-c1nccs1	1875245253	RJFMWFLXSOVZIF-UHFFFAOYSA-N	242.303	3.367	0	50	BGAA	
CC(C)(O)c1cc(-c2c[nH]nc2C2CC2)cs1	2325802250	UFSSSHJOKWWINL-UHFFFAOYSA-N	248.351	3.243	0	50	BGAA	
Nc1cc(C(=O)c2cccs2)ccc1Cl	225539	GKLHXCZXFRMKTD-UHFFFAOYSA-N	237.711	3.215	0	50	BGAA	aggregator
CC[C@@H](NC(=O)C1CCC1)c1ccc(C)cc1	356045	MAUNUBZUQAWSGA-CQSZACIVSA-N	231.339	3.362	0	50	BGAA	
Cc1ccc(NC(=O)NC2CCCCC2)cc1	396224	BLRWQLNOZYSUKM-UHFFFAOYSA-N	232.327	3.449	0	50	BGAA	
O=C(O)c1ccsc1Cc1ccccc1	480824	XBXURZAMLKGFJE-UHFFFAOYSA-N	218.277	3.037	0	50	BGAA	
Cc1cc(Cl)ccc1OCCN1CCCC1	5697876	BAIMLFQMXNAUEQ-UHFFFAOYSA-N	239.746	3.123	0	50	BGAA	
C[C@H](N)c1ccccc1NC(=O)OC(C)(C)C	6732188	ZMCJMXOMUPBVOP-VIFPVBQESA-N	236.315	3.053	0	50	BGAA	
Brc1ccc(C2CCOCC2)cc1	72193151	JTRPUGBQABMPMD-UHFFFAOYSA-N	241.128	3.343	0	50	BGAA	in-vitro
Cc1ccc2c(Br)c(O)ccc2n1	82798920	CBBZBPMLSSRBGS-UHFFFAOYSA-N	238.084	3.011	0	50	BGAA	
C=Cc1cccc(Br)c1F	91251930	MDTBTBYULZTAGE-UHFFFAOYSA-N	201.038	3.231	0	50	BGAA	in-vitro
Cc1cccc(N[C@H]2CCc3c(O)cccc32)n1	157777191	KTICZEGXDCLCBS-ZDUSSCGKSA-N	240.306	3.195	0	50	BGAA	
CCC(CC)C(=O)CC(=O)C(CC)CC	223636223	MFELLNQJMHCAKI-UHFFFAOYSA-N	212.333	3.387	0	50	BGAA	
COc1ccc(Cl)c(F)c1OC(C)C	261493632	GFDKUNLERIHUMH-UHFFFAOYSA-N	218.655	3.275	0	50	BGAA	
OCc1cc(Cl)cc(OC(F)F)c1Cl	263623889	LPJRKYYOCOXGSN-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
OC1CCC2(CC1)CCN([C@H]1C=CCCC1)CC2	336261033	IIFJCXKRPVRPDQ-AWEZNQCLSA-N	249.398	3.112	0	50	BGAA	
c1cncc([C@@H]2CCCN2Cc2ccsc2)c1	336447995	CEWAIUCJCFNGPU-AWEZNQCLSA-N	244.363	3.480	0	50	BGAA	
Cc1cnc(/C=C/C2CCCCC2)nc1N(C)C	426589751	JIPQHMLBZPSRJQ-MDZDMXLPSA-N	245.370	3.445	0	50	BGAA	
CCc1cc(-c2ccncc2OC)ccc1O	2356159971	XPVSLICOEHOYDL-UHFFFAOYSA-N	229.279	3.025	0	50	BGAA	
COC(=O)c1c(-c2ccc(C)cc2)csc1N	105311	MREFUXQLNNUUNV-UHFFFAOYSA-N	247.319	3.092	0	50	BGAA	
Cc1cccc(Sc2ccc(N)cc2N)c1	3039082	DRKJWPIBDXWZOQ-UHFFFAOYSA-N	230.336	3.311	0	50	BGAA	
O=C(N[C@@H]1CCCc2ccccc21)C1CCCC1	3459994	DGCVBXTWMCFMKR-OAHLLOKOSA-N	243.350	3.370	0	50	BGAA	
CCC(C)(C)[C@@H]1CCc2nc(N)sc2C1	4244790	UWAQUYBLJCIERB-MRVPVSSYSA-N	224.373	3.266	0	50	BGAA	in-vitro
OCc1ccc(-c2ccc(F)c(Cl)c2)o1	4343431	DGTKDTLMWPVQOH-UHFFFAOYSA-N	226.634	3.231	0	50	BGAA	
C[C@@H](NC(=S)N1CCCCC1)c1ccccc1	5675402	MMXFKXRSPLIZGU-GFCCVEGCSA-N	248.395	3.108	0	50	BGAA	
CCCc1c(C)[nH]c2c(Cl)cccc2c1=O	5817553	YHIUEOBMLJKWSD-UHFFFAOYSA-N	235.714	3.442	0	50	BGAA	
COc1ccccc1-c1cc(C(=O)O)ccc1F	32003257	JLXJOIBCVDUOKX-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CC(=O)N1CCC[C@H](CCc2ccccc2F)C1	65526449	HRXUCUWRVIHGQK-CYBMUJFWSA-N	249.329	3.017	0	50	BGAA	
Oc1ccnc(OC2CCCCC2)c1Cl	261494329	VBJXVDQKXCFJGJ-UHFFFAOYSA-N	227.691	3.152	0	50	BGAA	
c1csc(-c2csc([C@@H]3CCCO3)n2)n1	278242294	LNGJKVRNWIQQTL-QMMMGPOBSA-N	238.337	3.118	0	50	BGAA	
C=CC(=O)N1CC(C)(C)c2cc(Cl)ccc21	1336675627	GTNYDDYVKUSAOZ-UHFFFAOYSA-N	235.714	3.150	0	50	BGAA	
Cc1ccc(N(O)C(=O)Nc2ccccc2)cc1	322790	LWAGZOAOPGWSMM-UHFFFAOYSA-N	242.278	3.423	0	50	BGAA	
Cc1ccccc1NC(=O)OCc1ccco1	397369	NMRUWTCMIMIWOS-UHFFFAOYSA-N	231.251	3.337	0	50	BGAA	
CCCCCC(=O)c1ccc(O)c(C)c1O	2167046	FYJZQCIDZZPGBO-UHFFFAOYSA-N	222.284	3.169	0	50	BGAA	
Fc1ccc(Br)c2cc[nH]c12	2384122	PBQKMEMSAFAVKF-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
CCC(=O)NCCC12CC3CC(CC(C3)C1)C2	4834093	RUCIKNOEKQNLIG-UHFFFAOYSA-N	235.371	3.119	0	50	BGAA	
CCSc1ccc(-c2cc(C)nc(N)n2)cc1	32561003	LMHRMAXWWPNJOK-UHFFFAOYSA-N	245.351	3.146	0	50	BGAA	
COc1ccc(CCCCCCC(=O)O)cc1	34417114	GVQILVWPWHFVIE-UHFFFAOYSA-N	236.311	3.273	0	50	BGAA	
C1CC[C@@H]2S[C@H]3CCCC[C@@H]3N=C2C1	36372549	IRXYYHMSABSUEY-DLOVCJGASA-N	209.358	3.428	0	50	BGAA	
Cc1cnc(N)c(-c2ccc(F)cc2Cl)c1	65496001	GDXGZAPSLVPOSI-UHFFFAOYSA-N	236.677	3.432	0	50	BGAA	
CCCc1cnc(-c2c(F)cccc2OC)nc1	67919696	DMKWHKFSNFTVHM-UHFFFAOYSA-N	246.285	3.244	0	50	BGAA	
FC(F)(F)COc1cccc(Cl)c1	70234299	WHVAPZOZERQFSI-UHFFFAOYSA-N	210.582	3.281	0	50	BGAA	
CC1=CC[C@@H]2[C@H](C[C@H]3C[C@@H]23)C(=O)[C@@H]2CC=C[C@H]12	71786299	BJTUNDNVJCZYIV-KYFQHEKYSA-N	228.335	3.370	0	50	BGAA	
CC(C)(C)OC(=O)N1CCC(CC2CC2)CC1	72194190	LTRUEISLIRKQHN-UHFFFAOYSA-N	239.359	3.434	0	50	BGAA	in-vitro
NCC[C@H](COc1ccccc1)c1ccccc1	76623802	JNOJWGXXUAHIHL-OAHLLOKOSA-N	241.334	3.198	0	50	BGAA	
C[Si](C)(C)c1cccc2ccccc12	169818714	KIXIRVPOOYJMDA-UHFFFAOYSA-N	200.357	3.385	0	50	BGAA	
OCC[C@@H]1c2ccccc2-c2cscc21	306146046	MZUKZVGCSFZCNX-LLVKDONJSA-N	216.305	3.243	0	50	BGAA	in-vitro
O=Cc1ccccc1-c1cccc(O)c1F	725270004	BNGXUSRJSNLVML-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
COc1ccc(-c2ccc3c(n2)CCC3)cc1F	1239576411	GRMVNBGAUAOAJE-UHFFFAOYSA-N	243.281	3.385	0	50	BGAA	
O=C(c1ccccc1)c1ccc(F)c(F)c1	155254	ZJTYHSBOZAQQGF-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	in-vitro
CC(C)N[C@H](C)C(=O)c1ccc2c(c1)CCCC2	3680593	NIKRIWIMZPNPQP-GFCCVEGCSA-N	245.366	3.135	0	50	BGAA	
CCNCc1ccc(-c2ccccc2F)o1	4942855	WEDAANYVHHWIGX-UHFFFAOYSA-N	219.259	3.195	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)C2CCC2)cc1C	6699307	JQZOVBFWXZLAAC-GFCCVEGCSA-N	231.339	3.281	0	50	BGAA	
COc1ccc(C)cc1-c1cn2ccsc2n1	12404834	IDSTXZQDNJWBGN-UHFFFAOYSA-N	244.319	3.380	0	50	BGAA	
O=C(CC1CCCC1)Nc1ccc(F)cc1	17154649	NPTZOFFJUNDBOL-UHFFFAOYSA-N	221.275	3.345	0	50	BGAA	
CCc1ccc([C@@H](N)c2ccc(F)cc2)cc1	19968545	MKJZPYRRQQJARV-OAHLLOKOSA-N	229.298	3.436	0	50	BGAA	
C(=C/c1n[nH]c(-c2ccccn2)n1)\c1ccccc1	67934511	ZGRZVZMQLOUKDX-MDZDMXLPSA-N	248.289	3.037	0	50	BGAA	
Cc1cc(C)nc(NC(=O)N2CCCC[C@H]2C)c1	125592195	CSDNMEWIISGYQX-GFCCVEGCSA-N	247.342	3.105	0	50	BGAA	
COC(=O)c1c(Cl)ccc2ccccc12	238324499	UNAJIEWZUFRWBW-UHFFFAOYSA-N	220.655	3.280	0	50	BGAA	
CC(=O)C(C)(C)C1=C[C@@H]2C=C[C@@H]3C=C[C@H]1[C@H]32	253380759	BPFQWIATIYHZIM-GFQSEFKGSA-N	214.308	3.146	0	50	BGAA	
Cc1cc2c[nH]nc2cc1C1C[C@@H](C)N[C@H](C)C1	757213084	NXJYVJMJISDSNA-GHMZBOCLSA-N	243.354	3.115	0	50	BGAA	
F[C@H](OC(F)(F)F)c1nc2ccccc2[nH]1	49146	WODXDGLRIWEHDA-SSDOTTSWSA-N	234.152	3.067	0	50	BGAA	
Cc1[nH]c2c(Cl)cc(Cl)cc2c1CCN	140713	HODDRUBPMDTGGJ-UHFFFAOYSA-N	243.137	3.284	0	50	BGAA	
Cc1cc(C)cc(NC(=O)c2ccccc2O)c1	318507	ACHGACVMWGAWDV-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
Clc1ccccc1Cn1nnc2ccccc21	463855	XNNFKVSXEIKYER-UHFFFAOYSA-N	243.697	3.133	0	50	BGAA	
O=Cc1ccc(N2Cc3ccccc3C2)cc1	588446	GSAVXYHVHQTGEA-UHFFFAOYSA-N	223.275	3.019	0	50	BGAA	
Cc1ccccc1-c1ccccc1C(=O)O	2580772	GOAWMKUDICJPHY-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	
c1ccc(NCn2cnc3ccccc32)cc1	4159328	XEVXPIRXOWDVKA-UHFFFAOYSA-N	223.279	3.106	0	50	BGAA	
CN(C)CCOc1ccccc1-c1ccccc1	4913607	HEGXUUYKFGNKJB-UHFFFAOYSA-N	241.334	3.294	0	50	BGAA	in-vivo
Cc1ccc2c(-c3cccc(N)n3)cccc2n1	19336414	GPIIREMOIWVETL-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
Cc1noc(-c2ccc3[nH]c(C)c(C)c3c2)n1	20481374	MDZIUNIKMVVULA-UHFFFAOYSA-N	227.267	3.143	0	50	BGAA	
CCCC[C@@H]1Sc2ccccc2NC1=O	38763448	MICJJPIKOOSMPZ-NSHDSACASA-N	221.325	3.290	0	50	BGAA	
Cc1nc(-c2cccc(Cl)c2)n(O)c1C	71773929	YRTZYRZVCYPBQJ-UHFFFAOYSA-N	222.675	3.058	0	50	BGAA	
CSc1cccc(CNC(=O)[C@@H]2CC2(C)C)c1	824941224	XPKQRCRKEYHYDO-LBPRGKRZSA-N	249.379	3.071	0	50	BGAA	
Cc1ccc2[nH]cc(-c3cnc4cnccn34)c2c1	2100483148	VBCDGMGPNJJDPQ-UHFFFAOYSA-N	248.289	3.186	0	50	BGAA	
C[C@H]1CCCC[C@H]1NC(=O)NC1CCCCC1	395827	ANYYUZRBKJKUKO-WCQYABFASA-N	238.375	3.197	0	50	BGAA	
CC(C)C(NC(=O)c1ccc(F)cc1)C(C)C	450347	HZAAHGFFVYKAMQ-UHFFFAOYSA-N	237.318	3.236	0	50	BGAA	
O=C(c1ccccc1)C(Cl)(Cl)Cl	1602461	OAMHTTBNEJBIKA-UHFFFAOYSA-N	223.486	3.240	0	50	BGAA	
Fc1c(Cl)cccc1Br	2529863	DRNWNTAANHEQMK-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	in-vitro
O=C(c1ccc(Cl)cc1F)C(F)(F)F	2579836	IKAPDKROUMAHCC-UHFFFAOYSA-N	226.556	3.224	0	50	BGAA	
CCCCC/C=C/C=C/C(=O)N1CCCC1	5819999	BFZBGTMIBOQWBA-HRCSPUOPSA-N	221.344	3.302	0	50	BGAA	biogenic,in-vitro
Cc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1	6694356	NQEFIPVOJGJVRG-UHFFFAOYSA-N	226.201	3.404	0	50	BGAA	in-vitro
CC(C)Oc1ccc(C(=O)NC(C)(C)C)cc1	6744677	PNQFABPWOVLOAA-UHFFFAOYSA-N	235.327	3.002	0	50	BGAA	
Oc1cc(F)cc(OCc2ccccc2)c1	261493621	GBDLPFXHEXUAKR-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	
Oc1cc(F)c(F)cc1OCc1ccccc1	575442744	QRHKUBKDVYPIKK-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
CSc1cccc(CNC(=O)[C@H]2CC2(C)C)c1	824941223	XPKQRCRKEYHYDO-GFCCVEGCSA-N	249.379	3.071	0	50	BGAA	
c1nc(SCC2CC3(CC3)C2)n2c1CCC2	2325783582	JKZWPYQKZYCXAD-UHFFFAOYSA-N	234.368	3.112	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccccc1C	30891	UMLGEZCCDMFEJJ-LLVKDONJSA-N	205.301	3.370	0	50	BGAA	
O=C(O)CCC(=O)c1ccc(Cl)c(Cl)c1	346173	DPCXOOJTAKKWIC-UHFFFAOYSA-N	247.077	3.041	0	50	BGAA	
CCC(=O)c1ccc(OCC(C)C)cc1	355209	WOMFDTNCXZUJPM-UHFFFAOYSA-N	206.285	3.314	0	50	BGAA	in-vitro
CC(C)CNC(=O)c1cccc2ccccc12	376342	YKMVNWNJEFDCKH-UHFFFAOYSA-N	227.307	3.226	0	50	BGAA	
O=C(Nc1ccccc1Cl)Oc1ccccn1	395129	OSYDFXYKQVPQPJ-UHFFFAOYSA-N	248.669	3.346	0	50	BGAA	
CC(C)N[C@@H](C)C(=O)c1ccc2c(c1)CCCC2	3680592	NIKRIWIMZPNPQP-LBPRGKRZSA-N	245.366	3.135	0	50	BGAA	
CC(=O)O[C@H](C)CC(C)(C)c1ccccc1	6036145	MXIGGIZQUGDKAP-LLVKDONJSA-N	220.312	3.306	0	50	BGAA	
Cc1ccc(OCc2cccc(N)c2)c(C)c1	19282521	PENIUPCCRNFAMW-UHFFFAOYSA-N	227.307	3.465	0	50	BGAA	
c1ccc(-c2nc3ccncc3s2)cc1	34204300	ZSZZNJHWTPTBJG-UHFFFAOYSA-N	212.277	3.358	0	50	BGAA	
Clc1cnc(-c2cnc3ccccc3c2)cn1	67743707	OUZALEWLFXHQAX-UHFFFAOYSA-N	241.681	3.345	0	50	BGAA	
c1csc(-c2nccn2Cc2ccncc2)c1	129252451	GBVLRIDCPFHRQV-UHFFFAOYSA-N	241.319	3.055	0	50	BGAA	
C[C@]1(c2ccc(Br)cc2Cl)CO1	135060568	XYISVUIHVXHIIC-SECBINFHSA-N	247.519	3.348	0	50	BGAA	
Cc1ccccc1C(=O)Nc1ccccc1F	73197	GUHKGNBWSKJZPY-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CC(=O)OCc1c(C)c(C)c(C)c(C)c1C	137834	HNYCNHWRRXKSTJ-UHFFFAOYSA-N	220.312	3.292	0	50	BGAA	
O=C(O)c1ccc(CSCc2ccccc2)o1	177198	CRBLYLGNCNZCEG-UHFFFAOYSA-N	248.303	3.411	0	50	BGAA	
C[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1	3614482	PAOSBOJQKXBGHK-LLVKDONJSA-N	243.281	3.317	0	50	BGAA	
O=S=Nc1ccc(Cl)cc1Cl	38312989	PJVDLEDRUFFYKO-UHFFFAOYSA-N	208.069	3.022	0	50	BGAA	
CNc1cccc(-c2cccc(C(=O)O)c2)c1	65336932	LJUHYKRGPWUDER-UHFFFAOYSA-N	227.263	3.094	0	50	BGAA	in-vitro
Brc1ccc2c(c1)[nH]c1ccncc12	98180606	JYFKMOCKASWCPZ-UHFFFAOYSA-N	247.095	3.479	0	50	BGAA	in-vitro
Cc1ccc(-c2ccccc2C(=O)O)nc1C	215312993	MMCJQNTWCYJIAU-UHFFFAOYSA-N	227.263	3.064	0	50	BGAA	
CC(C)COc1cc(O)ccc1Cl	261493520	CSRNHHYIUSKYQT-UHFFFAOYSA-N	200.665	3.080	0	50	BGAA	
Fc1cc(-c2ccncc2)c2ncccc2c1	1239611568	WSOQUKHYBQLYBO-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
Cc1ccc(NC(=O)c2ccccc2F)cc1	227176	DNAFTNVFOKHXFN-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CC1=C2C(=O)O[C@H](c3ccoc3)[C@@]2(C)CCC1	265491	XYYAFLHHHZVPRN-OCCSQVGLSA-N	232.279	3.384	0	50	BGAA	biogenic
CNc1ccc(Cl)cc1[C@H](O)c1ccccc1	435895	ZPUSFOHQVMOPOT-CQSZACIVSA-N	247.725	3.463	0	50	BGAA	
CCCCNCCCCOc1ccc(F)cc1	2900491	JTOBUFBJSBVNAF-UHFFFAOYSA-N	239.334	3.374	0	50	BGAA	
C[C@H](CCCC(C)(C)O)CCN[C@H](C)C1CC1	32587207	ADFYMADYTXJRQE-CHWSQXEVSA-N	241.419	3.342	0	50	BGAA	
CCCCCCC(=O)Oc1ccc(C=O)cc1	37630468	SCNIJVZLGPQFBV-UHFFFAOYSA-N	234.295	3.375	0	50	BGAA	
COc1ncc(Cl)cc1OCc1ccccc1	65337512	UMXFFXZBNLBAOS-UHFFFAOYSA-N	249.697	3.323	0	50	BGAA	in-vitro
c1ccc2c(c1)CCN1CC[C@@H]3CCCC[C@]231	102190951	PERYEAFHHZTAKL-GOEBONIOSA-N	227.351	3.334	0	50	BGAA	
CCCCc1nc(-c2ccc(F)cc2C)n[nH]1	584885379	HATKDPAILHUQKK-UHFFFAOYSA-N	233.290	3.262	0	50	BGAA	
Cc1n[nH]cc1-c1cc(Cl)ccc1F	725272568	QJQQBNSJCVHUIW-UHFFFAOYSA-N	210.639	3.178	0	50	BGAA	
c1cc(-c2noc([C@@H]3CCC[C@H]3C3CC3)n2)no1	1875283825	DEUQSZQMHCNLGV-VHSXEESVSA-N	245.282	3.018	0	50	BGAA	
Clc1cnccc1-c1ocnc1CC1CC1	2356152938	ISDHBROOACFGOS-UHFFFAOYSA-N	234.686	3.343	0	50	BGAA	
COc1ccccc1Cn1cnc2ccccc21	462570	SURJZSYMHDZARJ-UHFFFAOYSA-N	238.290	3.093	0	50	BGAA	
Cc1cccc(C(=O)Nc2nccs2)c1C	3309491	UMIZFKZWPOMRHJ-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
CC[C@H](C)c1ccccc1OCCN(C)C	4915309	QAMFZHXJZVNNKV-LBPRGKRZSA-N	221.344	3.141	0	50	BGAA	
CCC1(CC)N(O)C(C)=C(c2ccccc2)[N+]1=O	12729995	RUXIBSLZGMJINV-UHFFFAOYSA-N	247.318	3.375	0	50	BGAA	
SC1=NC2(CCCC2)N=C1c1ccccc1	13573796	QJHLSXXGFICROR-UHFFFAOYSA-N	230.336	3.088	0	50	BGAA	in-vitro
Cc1cc(Cl)c2c(F)cc(F)cc2n1	36075621	HHNJWXVVSOOSJL-UHFFFAOYSA-N	213.614	3.475	0	50	BGAA	in-vitro
CCOC(=O)CCCC[C@@H]1CCCCCC1=O	45027616	ORJYNDPMQQNZPF-LBPRGKRZSA-N	240.343	3.259	0	50	BGAA	
Cc1nc(CNC/C=C/c2ccccc2)cs1	51790168	IQAPGUVORYZHCF-VMPITWQZSA-N	244.363	3.255	0	50	BGAA	
O=C(c1cccc2ccccc12)[C@H]1CCCNC1	67805858	OVRXETSGGBZJBB-ZDUSSCGKSA-N	239.318	3.022	0	50	BGAA	
CCOC(=O)c1cc(Cl)c(Cl)s1	82046650	KVTBSWABMQAIMZ-UHFFFAOYSA-N	225.096	3.232	0	50	BGAA	
Nc1cc(Cl)cnc1Oc1ccccc1	113533810	TZRLXEIAOOJLIT-UHFFFAOYSA-N	220.659	3.110	0	50	BGAA	
Cc1cccc(N)c1OCc1ccccc1	122475696	WUBQMUQCLYYTFF-UHFFFAOYSA-N	213.280	3.156	0	50	BGAA	
CC(C)CS[C@H]1CC(=O)CC[C@@H]1C	725360377	HKPFLYADEIYTEP-ONGXEEELSA-N	200.347	3.133	0	50	BGAA	
CSc1nc(N)nc2c1sc1ccccc12	337110	KYFQIYCLZIZSHA-UHFFFAOYSA-N	247.348	3.149	0	50	BGAA	
COC(=O)Nc1c(C)cccc1C(C)C	376461	AIRWZARGPRCMEK-UHFFFAOYSA-N	207.273	3.297	0	50	BGAA	
C[C@H]1CC[C@@H](c2c[nH]c3ccccc23)N1C	5752036	LQPZPKOXKQFSPK-HZMBPMFUSA-N	214.312	3.323	0	50	BGAA	
C[C@](O)(c1ccccc1)c1cc(Cl)ccc1N	6067236	SIGGISMALGOPAO-AWEZNQCLSA-N	247.725	3.178	0	50	BGAA	in-vitro
CC(C)(N)c1cc(Cl)cc(Cl)c1	33487300	AZEJGVWRTXUSHS-UHFFFAOYSA-N	204.100	3.187	0	50	BGAA	in-vitro
O=Cc1cc(Cl)cc(F)c1Br	263622755	APPKWBURKZJGRI-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
CC(=O)c1cc(C(F)(F)F)cc(C)c1F	575710933	MDBVGPLRLOTVBU-UHFFFAOYSA-N	220.165	3.356	0	50	BGAA	
CCc1cccc(NC(=O)c2ccco2)c1	355420	WLIYACBIHSAHAF-UHFFFAOYSA-N	215.252	3.094	0	50	BGAA	
O=C(c1ccc(-c2ccccc2)cc1)n1cccn1	475919	IIWQETQJIIJRER-UHFFFAOYSA-N	248.285	3.239	0	50	BGAA	
CCCCSc1nc2ccccc2[nH]1	1732768	DPLUNLDZRABSMS-UHFFFAOYSA-N	206.314	3.455	0	50	BGAA	
c1ccc(CCC[C@@H]2CCCCN2)cc1	2582634	TZYMFYBXXDGLJD-AWEZNQCLSA-N	203.329	3.151	0	50	BGAA	in-vitro
OC1=NC(=S)S/C1=C/[C@H]1CC=CCC1	5898426	FEBBHDNTSBKWQL-DGUDBNDOSA-N	225.338	3.215	0	50	BGAA	
CC(C)c1ccc(C(=O)Nc2ccon2)cc1	12382938	FCKDKUOADUHDTQ-UHFFFAOYSA-N	230.267	3.050	0	50	BGAA	
CCCCCNC(=O)Nc1cccc(C)c1	13610592	ARRHWSOINUBYAD-UHFFFAOYSA-N	220.316	3.307	0	50	BGAA	
Cc1cc(Br)cc2[nH]ccc12	14984645	JWPFDGDDONIZCT-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
Clc1cccc(SC2CCNCC2)c1	34146559	NVYWZAVYOVONSY-UHFFFAOYSA-N	227.760	3.184	0	50	BGAA	
Cc1nc2c(c3c1CCCC3)CCCC2	34455392	KAXLEJWWSAJDMP-UHFFFAOYSA-N	201.313	3.148	0	50	BGAA	
CC(C)(C)OC(=O)Nc1c(N)cccc1Cl	50352568	KSGVVXXGQWWCOV-UHFFFAOYSA-N	242.706	3.269	0	50	BGAA	
CC1=CC[C@@H]2[C@H](C[C@H]3C[C@H]23)C(=O)[C@@H]2CC=C[C@H]12	101141145	BJTUNDNVJCZYIV-JEWKUQAESA-N	228.335	3.370	0	50	BGAA	
CO[C@H]1CCCN(Cc2ccc(C)c(C)c2)CC1	378638092	QBWIDDHKRQVZBE-INIZCTEOSA-N	247.382	3.304	0	50	BGAA	
CCCc1cc(-c2ccnn2C(C)C)nc(C)n1	426707328	BGPJVSPHEYYEJJ-UHFFFAOYSA-N	244.342	3.182	0	50	BGAA	
C[C@@H]1CCCCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21	463456968	IUGBGGKAVYWKLP-MQYQWHSLSA-N	235.371	3.214	0	50	BGAA	
Cc1ccc(Sc2ncccc2C(=O)O)cc1	131927	VEZNUKVMXCLWMM-UHFFFAOYSA-N	245.303	3.239	0	50	BGAA	
Cc1ccc(NC(=S)NCC(C)C)c(C)c1	306062	PENXFOOGBZDMQF-UHFFFAOYSA-N	236.384	3.246	0	50	BGAA	
O=C(Nc1ccccc1)Nc1ccc(Cl)cn1	340573	FTIHUAKSLYLXGC-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	
S=C(NCc1cccs1)Nc1ccccc1	372052	KITRGSBRPWAPRI-UHFFFAOYSA-N	248.376	3.235	0	50	BGAA	
C[C@H]1CCCC[C@H]1NC(=O)Nc1ccccc1	395839	JXVIIQLNUPXOII-WCQYABFASA-N	232.327	3.387	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2ccc(F)cc2)c1	1258919	LICRACFKWCQWBK-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
CCN(CC)CCOc1cc(C)cc(C)c1C	4989993	WJHNTCAJUWYUNA-UHFFFAOYSA-N	235.371	3.332	0	50	BGAA	
Cc1cccc(C)c1NC(=O)c1cccc(N)c1	7468632	LQRZHTFAGDHGGU-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
CSc1ccc(Br)c(C)c1	15021607	HAHBIJBMSCJNII-UHFFFAOYSA-N	217.131	3.479	0	50	BGAA	in-vitro
Brc1cccc2scnc12	40448790	SXZKODVCLOIJGX-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Cc1[nH]cnc1CN(C)Cc1cccc(Cl)c1	243956937	CEPFOJVQSMJHMQ-UHFFFAOYSA-N	249.745	3.004	0	50	BGAA	
CC(C)=CCC[C@H](C)N[C@H]1CC[C@H](O)CC1	244734946	NOLRTYXIILBLKO-IHRRRGAJSA-N	225.376	3.014	0	50	BGAA	
C[C@H](C1CC1)N(C(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CC1	245495817	QFJCADYEHNWKAS-RABLLNBGSA-N	247.382	3.212	0	50	BGAA	
Fc1ccc2cc(Br)cnc2c1F	253496176	PNUVUICRKMWGRS-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	
Oc1ccc(-c2cncs2)cc1Cl	306288814	NKUMXYBFPWBHKK-UHFFFAOYSA-N	211.673	3.169	0	50	BGAA	
c1ccc(C2(c3n[nH]c(C4CCC4)n3)CC2)cc1	670468547	MCISKURZLJCCSU-UHFFFAOYSA-N	239.322	3.152	0	50	BGAA	
Cc1nc2cc(Oc3cncnc3)ccc2s1	1775980072	SFZKARUKWLTPSG-UHFFFAOYSA-N	243.291	3.187	0	50	BGAA	
C[C@H](NC(=O)Cc1ccccc1)c1ccccc1	270446	YPFYOAJCSYWUGO-ZDUSSCGKSA-N	239.318	3.107	0	50	BGAA	
Cc1ccc(OC(=O)NC2CCCCC2)cc1	398657	JILNDALVSVRTPX-UHFFFAOYSA-N	233.311	3.416	0	50	BGAA	
CC(=O)c1cc(F)cc(C(F)(F)F)c1	2169763	BDIYAWLPLVWTJY-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	
Fc1ccccc1-c1nc2ncccc2o1	2359642	ITMAIFDHVRYEPV-UHFFFAOYSA-N	214.199	3.029	0	50	BGAA	
CNCc1ccc(-c2cccc(Cl)c2)o1	6697865	LICXEUMBFGEDNM-UHFFFAOYSA-N	221.687	3.319	0	50	BGAA	
Nc1ccc([C@@H](O)c2ccccc2)c(Cl)c1	16649341	MGWVIPSZDAMLDT-ZDUSSCGKSA-N	233.698	3.004	0	50	BGAA	
COc1ccc(-c2cc(C(=O)O)ccc2C)cc1	32003155	QYRSNZGYFGYTOP-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	101597465	TUVRGNJAIDJRMT-CDGCEXEKSA-N	241.334	3.226	0	50	BGAA	
Cc1cc2c(cc1Br)C(=O)CCC2	238542172	UUSZBSHFTJBFAK-UHFFFAOYSA-N	239.112	3.277	0	50	BGAA	
C[C@@H]1C[C@@H](Nc2nccc3ccsc23)CCO1	310348280	OOWNDXPHQXPYEY-KOLCDFICSA-N	248.351	3.276	0	50	BGAA	
Fc1cc(F)cc(-c2cnn(CC3CC3)c2)c1	426551976	LBKXUEUVFNDGPR-UHFFFAOYSA-N	234.249	3.238	0	50	BGAA	
CCOC(=O)Nc1ccc(C(C)C)cc1	474964	NDZLWZWWMFITRY-UHFFFAOYSA-N	207.273	3.378	0	50	BGAA	
Cc1cc(C(=O)Nc2ccccc2)oc1C	711492	ZGYSABSRHJSJSI-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
C[C@H]1C[C@H](C)CN(C(=O)NC2CCCCC2)C1	1164560	RODOJLDNWXICNZ-RYUDHWBXSA-N	238.375	3.007	0	50	BGAA	
CCCCCOc1ccc(/C=C/C(=O)O)cc1	1695497	WXPBGFBUVHLMSK-JXMROGBWSA-N	234.295	3.353	0	50	BGAA	in-vitro
CC(=O)c1ccc(-c2ccc(C(=O)O)cc2)cc1	2559799	PDBQNVDCQVGALU-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	in-vitro
CN(C)C(=O)c1cc2c(ccc3ccccc32)o1	4866293	XEZZGXIOGGFBAQ-UHFFFAOYSA-N	239.274	3.288	0	50	BGAA	
Brc1csc([C@@H]2CCCCN2)c1	6658336	XSRXNVIDIBCTTO-QMMMGPOBSA-N	246.173	3.325	0	50	BGAA	
CCCNC(=O)Cc1coc2c(C)c(C)ccc12	16606757	WHXAFPGRKHEUHR-UHFFFAOYSA-N	245.322	3.118	0	50	BGAA	
Fc1cc(F)cc(-c2cc(Cl)on2)c1	59608442	IPKTWEZJFMXOSY-UHFFFAOYSA-N	215.586	3.273	0	50	BGAA	
COc1ccc([C@@H](C)N(C)Cc2ccco2)cc1	65425098	KGHCWCFQRNWMPU-GFCCVEGCSA-N	245.322	3.481	0	50	BGAA	
Cc1cc(Br)cnc1OCC(C)C	90413092	FLMLLYZDSFLJIV-UHFFFAOYSA-N	244.132	3.187	0	50	BGAA	in-vitro
COC(=O)Cc1ccc(-c2ccc(C)cc2)cc1	97757211	WUYJJYHVWVPXHG-UHFFFAOYSA-N	240.302	3.378	0	50	BGAA	
Cc1cc(C)c(-c2ccc(C=O)nc2)c(C)c1	725244991	CLOFXLKQXNBWQU-UHFFFAOYSA-N	225.291	3.486	0	50	BGAA	
Nc1cccc(-c2ccnc(C(F)F)c2)c1	725273426	BBGIEDXHXJWCHB-UHFFFAOYSA-N	220.222	3.268	0	50	BGAA	
COc1cccc(CNc2ccccc2)c1	263158	WGJLFGPPEXLLNQ-UHFFFAOYSA-N	213.280	3.307	0	50	BGAA	
CCN(CC)C(=O)Nc1cccc(C)c1C	396786	SXIGTWLFZIKOMH-UHFFFAOYSA-N	220.316	3.177	0	50	BGAA	
CCc1ccc(C(=O)c2ccccc2)cc1	2017372	IJUPTKULISHEID-UHFFFAOYSA-N	210.276	3.480	0	50	BGAA	in-vitro
COc1ccc(COc2cccc(O)c2C)cc1	2519743	XSAAZQDXUMOUOS-UHFFFAOYSA-N	244.290	3.288	0	50	BGAA	
Clc1ccc([C@@H]2CCNC2)cc1Cl	57939311	BZRNHMNSDPKKHM-MRVPVSSYSA-N	216.111	3.070	0	50	BGAA	in-vitro
O=Cc1ccc(-c2cnc(F)c(Cl)c2)cc1	66352086	MPPYADYJRWRMGE-UHFFFAOYSA-N	235.645	3.354	0	50	BGAA	
CC(C)n1cc(OCc2ccccc2)cn1	162104350	WRMNHIRXASKBBK-UHFFFAOYSA-N	216.284	3.043	0	50	BGAA	
C[C@H]1CC[C@H](n2cc(-c3cccs3)nn2)C1	585124318	YHUWOBQRZZYTPH-UWVGGRQHSA-N	233.340	3.368	0	50	BGAA	
COC(=O)C=C1c2ccccc2-c2ccccc21	154873	JKKWDADOWDCWKC-UHFFFAOYSA-N	236.270	3.272	0	50	BGAA	
N=C(N)SC(c1ccccc1)c1ccccc1	400011	FBPZCNQOMKJFRD-UHFFFAOYSA-N	242.347	3.403	0	50	BGAA	in-vitro
c1cc(-c2noc(CCC3CCCC3)n2)ccn1	618387	BSCJAMRKMQGARO-UHFFFAOYSA-N	243.310	3.254	0	50	BGAA	
CCCCNCc1cccn1-c1ccccc1	2497413	OEXNNNBNBYYUKQ-UHFFFAOYSA-N	228.339	3.367	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(F)c(F)c1	2523071	WIUZQRIAAKGULG-UHFFFAOYSA-N	229.226	3.312	0	50	BGAA	in-vitro
CCNCc1ccc(-c2ccc(F)cc2)o1	4942866	UCXOKIBFFAIZJW-UHFFFAOYSA-N	219.259	3.195	0	50	BGAA	
Cc1cccc(NC(=O)c2ccoc2C)c1C	6317878	UERGEEGOFQNXHG-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
COc1cccc(CCc2ccccc2O)c1	16698120	HGQQRAXOBYWKDV-UHFFFAOYSA-N	228.291	3.186	0	50	BGAA	
CCn1c(C)c(C=O)c2ccc(C)cc21	34925330	SYGMXNSYWXCOMZ-UHFFFAOYSA-N	201.269	3.091	0	50	BGAA	
CNc1nc(-c2c(C)cc(C)cc2C)ncc1F	65397614	DQYAMHPVRGQGHS-UHFFFAOYSA-N	245.301	3.250	0	50	BGAA	
CC(C)c1cc(C(F)(F)F)ccc1N	141294550	AICMMPXCZQMMCK-UHFFFAOYSA-N	203.207	3.411	0	50	BGAA	
CCc1c(Cl)cc2nc(N)oc2c1Cl	228903053	DPMNHUVMEOPHSS-UHFFFAOYSA-N	231.082	3.279	0	50	BGAA	
CCCc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1	239425926	VLVMVGHDVLOQMO-XUJVJEKNSA-N	245.366	3.472	0	50	BGAA	
COCOc1ccc(C(F)(F)F)cc1Cl	261494537	ZYHNYFDHIKBCFX-UHFFFAOYSA-N	240.608	3.342	0	50	BGAA	
CC(=O)c1ccc2cc(Cl)cnc2c1	498047644	KMACMVIDKCSUOD-UHFFFAOYSA-N	205.644	3.091	0	50	BGAA	
C1=CC[C@H](c2nccn2Cc2ccccn2)CC1	1875246516	QCASQPPSVNRDDT-ZDUSSCGKSA-N	239.322	3.150	0	50	BGAA	
Cc1cc(N)ccc1CCc1ccc(N)cc1C	155202	ISESBQNCWCFFFR-UHFFFAOYSA-N	240.350	3.253	0	50	BGAA	in-vitro
Cc1ccc2c(c1)OC(=O)C[C@@H]2c1ccccc1	177888	DVIONHZDAYXRBA-CQSZACIVSA-N	238.286	3.436	0	50	BGAA	
C[P@](=O)(Nc1ccccn1)Oc1ccccc1	215769	XYYOVFPAHCYHPS-QGZVFWFLSA-N	248.222	3.395	0	50	BGAA	
COc1ccc(-c2csc(C)n2)cc1F	248730	UBJPPCWFFLNOFK-UHFFFAOYSA-N	223.272	3.266	0	50	BGAA	
COc1ccc(NC(=O)c2ccc(C)cc2)cc1	260697	ZVMFHSKXFRTBIG-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
CCNC(=O)Nc1ccc(Cl)c(Cl)c1	396212	FTJWKYIMFVTWKY-UHFFFAOYSA-N	233.098	3.135	0	50	BGAA	
c1ccc(-c2cnc(-c3cccnc3)o2)cc1	448813	CFEYMTMIFIDHRN-UHFFFAOYSA-N	222.247	3.404	0	50	BGAA	
CCc1ccccc1NC(=O)C1CCCC1	474758	ZZGQAJWPXAVLQV-UHFFFAOYSA-N	217.312	3.378	0	50	BGAA	
O=Cc1ccccc1-c1ccccc1F	1257700	KKOOBRYMWSXJFU-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	
O=C(Cc1ccccc1)c1ccc(F)cc1	1557077	YFYKGCQUWKAFLW-UHFFFAOYSA-N	214.239	3.251	0	50	BGAA	in-vitro
COc1c(C)cc(-c2csc(C=O)n2)cc1C	2582745	ZBYKNGWGAUMYCG-UHFFFAOYSA-N	247.319	3.248	0	50	BGAA	
CCC(CC)NC(=O)Nc1ccc(C)c(F)c1	13320146	ULANEBINJSIXNF-UHFFFAOYSA-N	238.306	3.444	0	50	BGAA	
Sc1nc2ccc(Br)cc2s1	26443970	KNFZKHAWHVYFFI-UHFFFAOYSA-N	246.154	3.348	0	50	BGAA	in-vitro
Cc1c(NC(=O)OC(C)(C)C)ccnc1Cl	82046557	KEHHTVDRYIQNDI-UHFFFAOYSA-N	242.706	3.390	0	50	BGAA	
Fc1cc(-c2cc[nH]n2)ccc1C(F)F	725272752	LHGDNLUWOOKECD-UHFFFAOYSA-N	212.174	3.153	0	50	BGAA	
O=C(CCC(F)(F)F)N1CCC2(CCCC2)C1	742879104	NQWIQKRJHOKOMU-UHFFFAOYSA-N	249.276	3.122	0	50	BGAA	
Cc1cc(-c2ccc3sc(C)nc3c2)n[nH]1	1857736220	FOZPPHGITGXHIT-UHFFFAOYSA-N	229.308	3.303	0	50	BGAA	
Cc1ccc(Sc2ncccc2CO)cc1	168667	RSXCFLONDAMSEU-UHFFFAOYSA-N	231.320	3.034	0	50	BGAA	
O=C(O)C[C@@H]1CCCC[C@H]1c1ccccc1	1564615	WDABVCXHIRWXLA-STQMWFEESA-N	218.296	3.435	0	50	BGAA	
O=C(c1ccc(Br)cc1)C1CCC1	2514315	AZSFMTLMLOZVLG-UHFFFAOYSA-N	239.112	3.432	0	50	BGAA	in-vitro
Cc1cccc(OCCN2C[C@@H](C)C[C@H](C)C2)c1	4906294	QQBAVMQRULVQPC-GJZGRUSLSA-N	247.382	3.352	0	50	BGAA	
CCCCNCc1cccc(Br)c1	5973580	WBAYBKZTZNUUAS-UHFFFAOYSA-N	242.160	3.339	0	50	BGAA	
c1ccc([C@]23CCCC[C@H]2CCCN3)cc1	6116555	QEXADSRMRUUCQJ-LSDHHAIUSA-N	215.340	3.456	0	50	BGAA	
Cc1ccnc(NC(=S)Nc2ccccc2)c1	13837404	LAMGHBQOIGEOFB-UHFFFAOYSA-N	243.335	3.199	0	50	BGAA	
Cc1cc2cc[nH]c2cc1Br	14985799	DZPFAUCRIATHQM-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	
COc1ccc2cc(C)c(Cl)nc2c1	20271030	KVBVZTHTUJBHOF-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
COC(=O)[C@@](C)(CC=C(C)C)c1ccccc1	45074583	FGOXIHIISIANMD-HNNXBMFYSA-N	232.323	3.474	0	50	BGAA	
COC(=O)[C@](C)(CC=C(C)C)c1ccccc1	45074584	FGOXIHIISIANMD-OAHLLOKOSA-N	232.323	3.474	0	50	BGAA	
c1cc(-c2ccc3cc[nH]c3c2)n2nccc2c1	72143451	QTJXFHWQEFOKFT-UHFFFAOYSA-N	233.274	3.483	0	50	BGAA	
Cc1c(N)ncnc1-c1ccc(C(C)(C)C)cc1	88676719	RJNLDENGCCFMTE-UHFFFAOYSA-N	241.338	3.332	0	50	BGAA	
CC(C)C[C@@H](C(=O)c1ccccc1)N1CCCC1	95931907	UOZWZANRCOALQL-HNNXBMFYSA-N	245.366	3.380	0	50	BGAA	in-vitro
CO[C@H](C)c1cccc(-c2cncc(N)c2)c1	426633918	MTIOEJXCDWCTFB-SNVBAGLBSA-N	228.295	3.038	0	50	BGAA	
COc1ccc2cc([C@H](C)C(=O)O)ccc2c1	105216	CMWTZPSULFXXJA-VIFPVBQESA-N	230.263	3.037	0	50	BGAA	biogenic,fda
O=Cc1cccnc1Sc1ccccc1	168675	XMMNSXDXGHXKMN-UHFFFAOYSA-N	215.277	3.045	0	50	BGAA	in-vitro
Cc1ccc2[nH]c3sc(C)nc3c2c1	177248	GOXSBHBUDRNIKV-UHFFFAOYSA-N	202.282	3.394	0	50	BGAA	
O=C(O)/C(=C\c1ccc(O)cc1)c1ccccc1	330034	GAXUWNPJYOWVDR-UVTDQMKNSA-N	240.258	3.017	0	50	BGAA	
Cc1ccc2nc3sc(C(=O)O)cc3cc2c1	375414	AOIWGCFOISZHHK-UHFFFAOYSA-N	243.287	3.456	0	50	BGAA	
O=C(CNc1ccc(F)cc1)c1ccccc1	386220	PELCOUXEDBDFTE-UHFFFAOYSA-N	229.254	3.121	0	50	BGAA	
O=C1C[C@@H](c2ccccc2)Nc2ccccc2N1	1514339	BPBSKHLEGJWMBO-AWEZNQCLSA-N	238.290	3.182	0	50	BGAA	
Cc1ccc([C@H](CN)c2ccccc2)cc1	2576603	ZYFLABCDJVBRMZ-OAHLLOKOSA-N	211.308	3.086	0	50	BGAA	
O=c1cnc(-c2ccccc2)c(-c2ccccc2)[nH]1	8931833	LTWBZUZTTUVPIM-UHFFFAOYSA-N	248.285	3.104	0	50	BGAA	in-vitro
O=C(Nc1ccccc1-c1ccncc1)C1CC1	32580924	PBIFIIIPSPWUGU-UHFFFAOYSA-N	238.290	3.097	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cc(C(C)(C)C)on1	35287553	VMPVVQOVODQCRS-UHFFFAOYSA-N	240.303	3.319	0	50	BGAA	
CCC(C)(C)NC(=O)c1cc(C)ccc1C	42137407	ABXPINQXULHPBU-UHFFFAOYSA-N	219.328	3.222	0	50	BGAA	
CC(C)CCN(c1ncccn1)C1CCCC1	170616181	KVTPDBGCGQIXII-UHFFFAOYSA-N	233.359	3.272	0	50	BGAA	
OCc1ccc(Cl)c(Cl)c1OC(F)F	263623468	HSJXNAYUYGXJIK-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
CC1(C)[C@@H](c2cc3ccccc3[nH]2)[C@H]1CCN	334162947	IOFVCEYFMLOXMV-BXUZGUMPSA-N	228.339	3.256	0	50	BGAA	
COc1cnccc1-c1c(C)cc(O)cc1C	2356165386	GDEYVQCHIWOKGD-UHFFFAOYSA-N	229.279	3.080	0	50	BGAA	
O=C1Nc2ccccc2/C1=C/c1ccc(F)cc1	136966	QIERHADIMMFZNE-LCYFTJDESA-N	239.249	3.318	0	50	BGAA	
CCN(C(=O)Cc1cccs1)c1ccccc1	456820	XPZWHCZIVIINJB-UHFFFAOYSA-N	245.347	3.344	0	50	BGAA	
Cc1csc(N2CCc3ccccc32)n1	616054	MOJSNJDAVCXHMW-UHFFFAOYSA-N	216.309	3.146	0	50	BGAA	
Cc1cccc(-c2ccc(C(=O)O)cc2)c1	2574057	CVFLWXCNPWFJEH-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	
COc1ccccc1CNC1CCC(C)CC1	4989448	VRCVGHBHEXKNQS-UHFFFAOYSA-N	233.355	3.364	0	50	BGAA	
C[n+]1c(/C=C/c2ccco2)sc2ccccc21	5677340	NZBPULIVTKSHRJ-CMDGGOBGSA-N	242.323	3.489	0	50	BGAA	
CCc1ccc(C(=O)Nc2ncc(C)s2)cc1	6359136	CHJFOYQSOHHPRV-UHFFFAOYSA-N	246.335	3.266	0	50	BGAA	
COc1cc(C)c(/C=C\[N+](=O)[O-])cc1C(C)C	33317281	VDUZJBFFBUUDNH-WAYWQWQTSA-N	235.283	3.374	0	50	BGAA	
C/C=C(\C)CN(C)Cc1cc(C(C)(C)C)n[nH]1	65370752	OSBZYEYTZBOFHM-YRNVUSSQSA-N	235.375	3.105	0	50	BGAA	
CCC/C=C/c1ccc(Cn2ccnc2)cn1	65396474	QYTRHUDSKOUXGZ-SNAWJCMRSA-N	227.311	3.140	0	50	BGAA	
CCOc1ccc(-c2ncc[nH]2)c(OCC)c1C	67654513	SUEMOOXIOHQPNU-UHFFFAOYSA-N	246.310	3.183	0	50	BGAA	
Fc1cc(S)c(F)c(Br)c1	71792177	CDKKDLURIHBIJB-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
Clc1nc2ccc(Br)cc2o1	95760940	TVBDKNYVNBZWNF-UHFFFAOYSA-N	232.464	3.244	0	50	BGAA	
FC(F)(F)c1cc(Cl)n2cncc2c1	606301360	LCOMMPANBJEMLN-UHFFFAOYSA-N	220.581	3.007	0	50	BGAA	
C[C@H]1CCC[C@H]1Nc1cc(C(F)F)ncn1	724635581	OHPIECNQZBNREJ-JGVFFNPUSA-N	227.258	3.015	0	50	BGAA	
Cn1c(-c2ccnc(C(F)F)c2)cnc1Cl	725273564	LGRSJXQXWUIKTD-UHFFFAOYSA-N	243.644	3.073	0	50	BGAA	
COc1ccc(OC)c(-c2nccn2C(C)C)c1	952968519	DYBJZAPBUOPRDI-UHFFFAOYSA-N	246.310	3.148	0	50	BGAA	
Cc1cc(Cl)c2c(N)c(C)cc(C)c2n1	92783	STCWWNYDRGHXFV-UHFFFAOYSA-N	220.703	3.396	0	50	BGAA	
CCSc1nc(C)c2cc(OC)ccc2n1	199083	ZIZFLCIOQPWUFU-UHFFFAOYSA-N	234.324	3.059	0	50	BGAA	
COc1ccccc1CN1CCCCCC1	293640	MTDXNNRXFNSGLS-UHFFFAOYSA-N	219.328	3.071	0	50	BGAA	
COC(=O)c1cccc2c1-c1ccccc1C2	405928	LWUKGURDMGKPGZ-UHFFFAOYSA-N	224.259	3.044	0	50	BGAA	
COc1ccc2nc(-c3ccccc3)[nH]c2c1	5075167	SMHBLCFXCWISPZ-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	
C[C@@H]1CC[C@@H]2[C@@H]1[C@H]1[C@@H](CC[C@]2(C)O)C1(C)C	36489705	AYXPYQRXGNDJFU-RWXDJMAFSA-N	222.372	3.466	0	50	BGAA	biogenic
O=C(CC1CC1)c1ccc(Br)cc1	49729055	ITZWSKHGIOCJIS-UHFFFAOYSA-N	239.112	3.432	0	50	BGAA	
Cc1ccc(C[C@@H](C)C(=O)N2CCCCC2)cc1	141047784	DAGVUKMBYINHMV-CQSZACIVSA-N	245.366	3.186	0	50	BGAA	
CC(C)c1ccc2c(c1)sc1nncn12	1615890022	AIOAOVHICBFQFY-UHFFFAOYSA-N	217.297	3.067	0	50	BGAA	
Cc1ccc(F)cc1SCc1cc[nH]n1	1875317234	SNNYGAFORAVPLX-UHFFFAOYSA-N	222.288	3.150	0	50	BGAA	
Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1	43836	ZYAVWGWJKCHJLF-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
O=C(C1CCCCC1)N1CCc2ccccc21	83408	ZNDLFSZJCYJQNJ-UHFFFAOYSA-N	229.323	3.156	0	50	BGAA	biogenic
Cc1ccccc1NC(=O)c1ccccc1	143785	BSASAHDKONAXQX-UHFFFAOYSA-N	211.264	3.247	0	50	BGAA	
Cc1ccc(CN(C)CCc2ccccc2)o1	216346	KJUIEJYDZYHQJI-UHFFFAOYSA-N	229.323	3.263	0	50	BGAA	
O=C(O)c1ccccc1-c1ccc(F)c(F)c1	2513037	SIWYNBHENGSUOZ-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	
CCN(CC)CCCN[C@H](C)c1ccccc1	2578554	KANDJNMHBBJHEU-CQSZACIVSA-N	234.387	3.069	0	50	BGAA	
O=C(O)C1(c2ccccc2Cl)CCCC1	12375410	IDXLMFIWSAQQEK-UHFFFAOYSA-N	224.687	3.236	0	50	BGAA	
CCC(CC)NC(=O)c1ccc(C)cc1C	41295380	UDRAAJUKGQSXJM-UHFFFAOYSA-N	219.328	3.222	0	50	BGAA	
Clc1cc(Br)c2nccnc2c1	65337116	WSIPUDFECNDBJC-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
CCn1cc(/C=C/c2ccccc2)c(C)n1	67755253	IHNQXVKJCBJNEG-MDZDMXLPSA-N	212.296	3.382	0	50	BGAA	
Fc1ccc2cc(Br)cnc2c1	91692918	LXCKAJPCLUODAF-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
COc1ccc(CCN[C@@H]2C[C@H]3CC[C@H]2C3)cc1	101831876	CQDHZRSBKWNOFL-OFQRWUPVSA-N	245.366	3.016	0	50	BGAA	
O=Cc1ccc(O[C@@H]2C[C@@H]2c2ccccc2)cc1	170598589	VXDMJAYTTSOTNK-HZPDHXFCSA-N	238.286	3.434	0	50	BGAA	
CC(C)c1nc(Cl)cc(C(F)F)n1	217689904	OBMLYLAGFULADQ-UHFFFAOYSA-N	206.623	3.191	0	50	BGAA	
Cc1cccc(-c2ccc3c(c2)CCN3)n1	888096093	SQOKQOGZIHECGH-UHFFFAOYSA-N	210.280	3.025	0	50	BGAA	
Cc1ncccc1-c1cncc(C(F)(F)F)c1	1240792076	RFKRLSWCRJHSSL-UHFFFAOYSA-N	238.212	3.471	0	50	BGAA	
COc1cnccc1-c1ccc([C@H](C)OC)cc1	2100480651	MKRZWEYWBAYCNC-NSHDSACASA-N	243.306	3.465	0	50	BGAA	
O=C(Nc1ccc(F)cc1)c1ccccc1	29209	OMWWTMOLTFYGAK-UHFFFAOYSA-N	215.227	3.078	0	50	BGAA	
Cc1nsc(-c2ccc(Cl)cc2)n1	108058	MJDMQQBPPCLSDQ-UHFFFAOYSA-N	210.689	3.167	0	50	BGAA	
O=C(/C=C/c1cccs1)NCc1cccs1	376635	KKLOXBBIDCBBRI-AATRIKPKSA-N	249.360	3.139	0	50	BGAA	
CCCC(=O)Nc1ccc(N2CCCCC2)cc1	447446	IXQPCBOGWVHION-UHFFFAOYSA-N	246.354	3.416	0	50	BGAA	
CC[C@@H](C)NC(=O)Nc1cccc(Cl)c1	1226885	JAKSUJDWQPNXFP-MRVPVSSYSA-N	226.707	3.260	0	50	BGAA	
O=C(O)c1cccc(-c2ccsc2)c1	2525698	JYLQNWVVMDHMRQ-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	
CCOC(=O)Cc1ccc(Cl)c(Cl)c1	2570686	QAEBVJIVEPSFRK-UHFFFAOYSA-N	233.094	3.099	0	50	BGAA	
CCCc1c(CC)c(=N)c2ccccc2n1C	4082935	JAPBALWUJAIERZ-UHFFFAOYSA-N	228.339	3.173	0	50	BGAA	biogenic
Clc1cccc(Cl)c1Cn1ccnc1	4385933	BJJYAUDWBQBWPJ-UHFFFAOYSA-N	227.094	3.238	0	50	BGAA	
COc1ccccc1CCN[C@@H]1CCC[C@H](C)C1	4989461	XZXUVOKVGKVQFF-DZGCQCFKSA-N	247.382	3.406	0	50	BGAA	
Oc1cccc(NC(=S)Nc2ccccc2)c1	5421282	BTFREYNHBKXMCJ-UHFFFAOYSA-N	244.319	3.201	0	50	BGAA	
CCc1ccc(-c2nc(N)sc2C)s1	6645763	ODDAFZZILOIXKD-UHFFFAOYSA-N	224.354	3.325	0	50	BGAA	
c1ccc2c(c1)N[C@@H](c1ccncc1)S2	33493687	HOJCSMGFSWKLAV-GFCCVEGCSA-N	214.293	3.298	0	50	BGAA	
Cc1ccc(C)c([C@H](C)NC(=O)C(C)C)c1	42671341	VSKZQRZZYPAVIS-LBPRGKRZSA-N	219.328	3.137	0	50	BGAA	
O=C(CCc1ccc(F)cc1)NC1CCCCC1	60866468	NLCUWRVJKBZTCP-UHFFFAOYSA-N	249.329	3.207	0	50	BGAA	
CC(=O)c1c(C)cc(C)c(-c2ncc[nH]2)c1C	67981771	PWBSVEADZWIJMK-UHFFFAOYSA-N	228.295	3.205	0	50	BGAA	
Nc1ccc(-c2ccc(F)c(Cl)c2)cn1	82366971	OFIINFLNDRNROV-UHFFFAOYSA-N	222.650	3.123	0	50	BGAA	in-vitro
CC(C)Oc1cc(Br)ccc1F	90413562	VVWMTCPHQYYNBO-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	in-vitro
C[C@@H]1CCN1c1ccc(Br)cc1	133266836	YJTXIFXPZDHPIK-MRVPVSSYSA-N	226.117	3.048	0	50	BGAA	
O=Cc1csc2cccc(Br)c12	147708225	NZRWTUFSHJYRSW-UHFFFAOYSA-N	241.109	3.476	0	50	BGAA	
Cc1occc1C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	245200743	CIZHXHVTJZNVTD-HVTMNAMFSA-N	247.338	3.143	0	50	BGAA	
CC[C@](C)(NC(C)C)[P@]1(=O)OCC[C@@H](C)O1	822645468	JDZVLQCLZKNXOH-UVWXRNBGSA-N	249.291	3.129	0	50	BGAA	
COc1cccc(-c2nc3cc(N)ccc3o2)c1	155047	MUPPQVXJEWJYFB-UHFFFAOYSA-N	240.262	3.086	0	50	BGAA	
Cc1ccc(C)c(C(=O)NCc2ccccc2)c1	514730	STCXPVKTYLZFQC-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
FC(F)(F)c1ccc([C@@H]2CCCN2)cc1	2382424	GSOGADJIIMVREB-JTQLQIEISA-N	215.218	3.130	0	50	BGAA	in-vitro
CC(=O)c1ccc(C)c(C(F)(F)F)c1	16159924	KXCYWGJWOOJKJP-UHFFFAOYSA-N	202.175	3.216	0	50	BGAA	
C[C@H]1Cc2cc(-c3ccc(CN)cc3)ccc2O1	38073527	AKXOZCQBVRVPQB-NSHDSACASA-N	239.318	3.136	0	50	BGAA	in-vitro
O=C1C[C@H]2CCCC[C@H]2c2ccc(O)cc21	45027563	VYSBBTQKZSGCIX-MWLCHTKSSA-N	216.280	3.252	0	50	BGAA	
CN(Cc1cscn1)[C@H]1CCC(C)(C)C1	335790878	YXTJPMHNBYCYGD-NSHDSACASA-N	224.373	3.154	0	50	BGAA	
CC(=O)c1c(/C=C/C2CCCCC2)cnn1C	426537807	XKPJJASEBCYPCO-CMDGGOBGSA-N	232.327	3.216	0	50	BGAA	
C1=C[C@H](n2ccnc2-c2ccncc2)CCC1	1875248281	HSTJSSOTBBKYBB-ZDUSSCGKSA-N	225.295	3.226	0	50	BGAA	
COc1ccc(C=O)cc1OCc1ccccc1	160575	VQVQZFHUXRSRBZ-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	biogenic,in-vitro
CCc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	281724	LTICPROUSFEPLJ-AWEZNQCLSA-N	240.350	3.184	0	50	BGAA	
Cc1cc(C(F)(F)F)c2c(N)csc2n1	335583	SEZWXHACLVIANI-UHFFFAOYSA-N	232.230	3.206	0	50	BGAA	
c1ccc(-c2cc(N3CCCCCC3)n[nH]2)cc1	613714	SUFJAXJRRCSGPV-UHFFFAOYSA-N	241.338	3.457	0	50	BGAA	
c1ccc(CCNCCc2ccccc2)cc1	1641337	ACSAKRLPJQIBFB-UHFFFAOYSA-N	225.335	3.061	0	50	BGAA	biogenic,in-vitro
Fc1cc(Br)ccc1Cl	2584349	AGYWDGVTLKNTBS-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	in-vitro
CC(=O)c1cnc(-c2ccccc2)s1	3134942	QAJAPTFQPWENFK-UHFFFAOYSA-N	203.266	3.013	0	50	BGAA	in-vitro
COC(=O)[C@@H]1CC[C@@H](C(C)(C)C)C[C@@H]1C	25625244	NYEXNQKLWCUFKZ-HBNTYKKESA-N	212.333	3.258	0	50	BGAA	
Cc1[nH]c2ccccc2c(=O)c1Cc1ccccc1	34338315	UBURLVFDECJBME-UHFFFAOYSA-N	249.313	3.427	0	50	BGAA	
C[C@H]1SCc2c(Cl)nc(Cl)nc21	223469424	CELWEVMHFJQSAE-GSVOUGTGSA-N	221.112	3.091	0	50	BGAA	
CCCC[C@@H](C)C(=O)N[C@H]1CCCc2[nH]ccc21	253395703	PHVPNCNROWFNQR-RISCZKNCSA-N	248.370	3.335	0	50	BGAA	
CS[C@@H]1CCC[C@H](N[C@H]2CCCSC2)C1	300358531	IASYHQUOWUOGQX-SDDRHHMPSA-N	245.457	3.146	0	50	BGAA	
COc1ccc(O)c(-c2cc(C)c(C)c(C)n2)c1	426498782	XCCMYSIICIOULT-UHFFFAOYSA-N	243.306	3.388	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2nncc(C)c2C)cc1	2356157283	IOQDEMOKGNZGLQ-LBPRGKRZSA-N	242.322	3.468	0	50	BGAA	
CCc1ccccc1NC(=O)c1c(C)noc1C	251910	DGBWVAIMMCQKPQ-UHFFFAOYSA-N	244.294	3.106	0	50	BGAA	
CC(=O)Nc1cc(C)c(C)cc1Br	465444	SUNBHBXAMLHMAE-UHFFFAOYSA-N	242.116	3.024	0	50	BGAA	
Cc1cc(C)c(C(=O)C(F)(F)F)c(C)c1	2517107	VINRTVDNUHIWCB-UHFFFAOYSA-N	216.202	3.357	0	50	BGAA	
O=C(Nc1cccc(F)c1)c1cccs1	3162466	WNFAJKQBFVQIHK-UHFFFAOYSA-N	221.256	3.140	0	50	BGAA	
COC(=O)c1ccc(-c2cccs2)cc1	6640583	KQKUJLJBJZNZIZ-UHFFFAOYSA-N	218.277	3.202	0	50	BGAA	
CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c(C)c1	13746232	UJXQNVODNUYTFD-STQMWFEESA-N	248.370	3.462	0	50	BGAA	
S=C(NCc1ccccc1)Nc1ccccc1	17179076	NXCBDDGSOXJEFZ-UHFFFAOYSA-N	242.347	3.173	0	50	BGAA	in-vitro
CCCn1c(C)c(C=O)c2cccc(C)c21	34925328	GFNLJQHHNFPFEW-UHFFFAOYSA-N	215.296	3.481	0	50	BGAA	
Cc1ccc(-c2cc(C(=O)O)ccc2F)cc1	49821587	LZIGYSKLPLKAKZ-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
CC[C@H]1C(I)=CC[C@@H]1C	71786111	HNFTWEKRCKQVOB-NKWVEPMBSA-N	236.096	3.371	0	50	BGAA	
Fc1ccc2cccnc2c1Br	75842509	MEZVXGUTJUGURY-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
CCOc1cc(F)c(F)cc1Br	90413630	YIEQNSGIVPKLAJ-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	
O=C(Cc1ccoc1)Nc1ccccc1Cl	163567145	GEWAKXJDZWCJJJ-UHFFFAOYSA-N	235.670	3.114	0	50	BGAA	
C[C@H](N)c1cc(Br)c(Cl)s1	227728906	OFHXZOZAIGIGPE-VKHMYHEASA-N	240.553	3.184	0	50	BGAA	
CCc1nc(CCNc2ccnc(C)c2)cs1	274784068	FKNTZOAKTHABNU-UHFFFAOYSA-N	247.367	3.064	0	50	BGAA	
CN=c1[nH]c(C)c(-c2cc(C)ccc2C)s1	426598851	KOYJJSCWNYGVPP-UHFFFAOYSA-N	232.352	3.199	0	50	BGAA	
Fc1ccc(F)c(-c2noc(C3CCC3)n2)c1	725273715	XGQHYATYZGERLW-UHFFFAOYSA-N	236.221	3.282	0	50	BGAA	
C=CC(=O)Nc1cc(-c2ccc(Cl)cc2)no1	2069391580	UDVALJVWVOKOIT-UHFFFAOYSA-N	248.669	3.120	0	50	BGAA	
CCCc1cc(=O)oc2cc(O)c(Cl)cc12	434975	IWVJNZCCZUEDEM-UHFFFAOYSA-N	238.670	3.105	0	50	BGAA	
Cc1cc(C)n2ncc(-c3ccc(F)cc3)c2n1	1386225	XQOIAHZHJPHDEN-UHFFFAOYSA-N	241.269	3.152	0	50	BGAA	
O=C(O)CCCCCCc1ccccc1	2575483	ZVSXKFNTWOIGJI-UHFFFAOYSA-N	206.285	3.264	0	50	BGAA	in-vitro
CC(C)(C(=O)c1ccccc1)N1CCCCC1	3635394	GCSDBSRRPSYHQU-UHFFFAOYSA-N	231.339	3.134	0	50	BGAA	
CC(C)NCc1cnc(-c2ccccc2)s1	4298842	BODLDGBIAIUIMV-UHFFFAOYSA-N	232.352	3.308	0	50	BGAA	
Cc1ccccc1NC(=O)OC(C)(C)C	21993228	UMDAFUNCFQYMDP-UHFFFAOYSA-N	207.273	3.342	0	50	BGAA	in-vitro
CCN(CC)c1ccc2cc(C(=O)OC)oc2c1	34402669	ZKTUFCFRLOFBMD-UHFFFAOYSA-N	247.294	3.066	0	50	BGAA	
O=c1cc(-c2cc(Cl)ccc2Cl)cc[nH]1	65339450	BYHCHRZKOROJFM-UHFFFAOYSA-N	240.089	3.349	0	50	BGAA	in-vitro
Cc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1	65349487	NKDNZJYBOBLFRZ-UHFFFAOYSA-N	228.247	3.066	0	50	BGAA	in-vitro
CN[C@@H](CSc1ccc(C)cc1)C1CC1	81853034	OAGFJRVFXBTZFU-ZDUSSCGKSA-N	221.369	3.085	0	50	BGAA	
C=CC(=O)Nc1cccc([C@H](F)C(F)(F)F)c1	1776004891	QDIVCKREUFAFFJ-JTQLQIEISA-N	247.191	3.384	0	50	BGAA	
CCc1ccc(-c2cn(C)nc2C)s1	1875340021	ILUSTFPJHJQCNS-UHFFFAOYSA-N	206.314	3.019	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)c1ccco1	102771	GXPIOIIKCASZKA-UHFFFAOYSA-N	221.643	3.185	0	50	BGAA	
Cn1ccnc1SCc1ccc(Cl)cc1	105669	HMJXOWFLRDSCKP-UHFFFAOYSA-N	238.743	3.366	0	50	BGAA	
CCCN1CCC(Nc2ccccc2F)CC1	220477	HSRJVAQZDYQSNT-UHFFFAOYSA-N	236.334	3.112	0	50	BGAA	
CC(C)C(=O)N1CCC(Cc2ccccc2)CC1	227879	VACPZZBFCLJGKU-UHFFFAOYSA-N	245.366	3.124	0	50	BGAA	
O=Cc1cscc1-c1cscc1C=O	334052	VDMDHVOUCVTPSR-UHFFFAOYSA-N	222.290	3.102	0	50	BGAA	
CC(C)Oc1ccc([C@H](C)CC(=O)O)cc1	395699	RTXMHHODBNYMGH-SNVBAGLBSA-N	222.284	3.052	0	50	BGAA	
CCc1ccccc1NC(=O)N(CC)CC	396996	IQGPASXZWUXWES-UHFFFAOYSA-N	220.316	3.123	0	50	BGAA	
Clc1ccc(/C=C/c2cc[nH]n2)cc1	3883422	SHJXJPOMWYIJSA-ZZXKWVIFSA-N	204.660	3.234	0	50	BGAA	in-vitro
CC(=O)NC12CC3(C)CC(C)(CC(C)(C3)C1)C2	4187176	DUJGMCOJTDEROR-UHFFFAOYSA-N	235.371	3.262	0	50	BGAA	
CNCc1cc(F)ccc1Oc1ccccc1	12359682	JDHPXUQPTBDLHJ-UHFFFAOYSA-N	231.270	3.337	0	50	BGAA	in-vitro
CCCC/C=C/S(=O)(=O)c1ccccc1	34566548	DMSHKKYCKFTGCG-DHZHZOJOSA-N	224.325	3.164	0	50	BGAA	
O=C(O)/C=C1\CCC[C@H](c2ccccc2)C1	43761126	HOPLUVKUQXCXOB-NHAQELONSA-N	216.280	3.355	0	50	BGAA	
c1cc2c3c(c1)C[C@H](NCC1CC1)C[C@@H]3CC2	96027588	MVHPZMFHBAZRLZ-GJZGRUSLSA-N	227.351	3.031	0	50	BGAA	
Clc1ccccc1C1=NCCOC12CCCC2	96027804	WNTFQMSWLLERTQ-UHFFFAOYSA-N	249.741	3.472	0	50	BGAA	
CC(=O)c1ccc(NCC2CCSCC2)cc1	163970129	GYPBRORQNYWPBY-UHFFFAOYSA-N	249.379	3.444	0	50	BGAA	
Cc1ccc([C@@H](C)CC[C@@H](O)C(C)(C)O)cc1	214550690	BHAUXXMLNYMKFX-GXTWGEPZSA-N	236.355	3.011	0	50	BGAA	biogenic
C=CC(=O)N[C@@H](C)c1cccc(C(C)C)c1	1776006619	YJZMFLBHKONZBU-NSHDSACASA-N	217.312	3.173	0	50	BGAA	
Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1	246184	BBUQOIDPQZFKKY-UHFFFAOYSA-N	231.682	3.153	0	50	BGAA	in-vitro
Cc1ccc([C@H](C)NC(=O)c2ccco2)cc1C	1054251	QGAASQAWLPKMAC-LBPRGKRZSA-N	243.306	3.387	0	50	BGAA	
O=C(c1ccccn1)[C@H]1C[C@H]1c1ccccc1	1382883	XCYVNFLTONVXSP-STQMWFEESA-N	223.275	3.068	0	50	BGAA	
CCCN(CCO)Cc1ccc2ccccc2c1	4988988	YLBNBRGTFDKXTP-UHFFFAOYSA-N	243.350	3.044	0	50	BGAA	
COc1ccc(OCc2ccccc2)cc1C=O	6666076	FCXSRFWURWTTRY-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	
Cc1cc(Br)cc2c1[C@H](N)CCC2	238463221	BEIPQWMEYPXKDU-SNVBAGLBSA-N	240.144	3.094	0	50	BGAA	
CC(C)c1cccc(N(C)C(=O)c2cocn2)c1	264301182	YXGQKWWQOYMBEO-UHFFFAOYSA-N	244.294	3.075	0	50	BGAA	
CN(Cc1cc(O)ccc1Cl)C1CCCC1	625058832	AGEVSSZVEIZAQH-UHFFFAOYSA-N	239.746	3.420	0	50	BGAA	
Fc1ccc2[nH]c3c(c2c1)CC(F)(F)CC3	675077164	YUYXCIOKTQFOBA-UHFFFAOYSA-N	225.213	3.431	0	50	BGAA	
COC(=O)c1ccc(-c2cccc(F)c2)cc1	1260580	RPBKPXWUZYCBNJ-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
Fc1cc(Br)cc(F)c1Cl	2516780	SWELJVAWQMCJLG-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	biogenic,in-vitro
COC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1	4235088	HEKOFOQCFMMTSH-UHFFFAOYSA-N	231.295	3.252	0	50	BGAA	in-vitro
CCOC(=O)CC12CC3CC(CC(C3)C1)C2	4280750	NYDGUAAQLKCFQD-UHFFFAOYSA-N	222.328	3.156	0	50	BGAA	
CC(C)c1ccc(NC(=O)Nc2ccon2)cc1	6731072	YWDJTZMQKABZNG-UHFFFAOYSA-N	245.282	3.442	0	50	BGAA	
Cc1ccc(C(=O)Nc2ccc(F)cc2C)o1	13325539	BZGQNFAAZDZIEF-UHFFFAOYSA-N	233.242	3.288	0	50	BGAA	
CCC[C@H](NC)C(=O)c1ccc2ccccc2c1	95803989	DBQUMXBQDKCIAJ-HNNXBMFYSA-N	241.334	3.411	0	50	BGAA	in-vitro
O=C(Nc1ccccc1)Nc1ccsc1	157415043	ZJNHUAWPVVEXAI-UHFFFAOYSA-N	218.281	3.392	0	50	BGAA	
CC(C)(C)c1cc(N)n(-c2ccc(Cl)cc2)n1	252719	CGBTZABQTSWFJF-UHFFFAOYSA-N	249.745	3.405	0	50	BGAA	
O=C(COC1CCCCC1)OC1CCCCC1	410174	ZXLJTSMVNBLQBX-UHFFFAOYSA-N	240.343	3.212	0	50	BGAA	
CC(C)c1cc2c(Cl)ncnc2s1	2541412	HOXIDKJKRREVOH-UHFFFAOYSA-N	212.705	3.468	0	50	BGAA	in-vitro
O=C(c1ccccc1)N1CCC[C@H]2CCC[C@H]21	3160033	YJJWSCUKMWSVTL-TZMCWYRMSA-N	229.323	3.091	0	50	BGAA	
O=Cc1sc(S)nc1-c1ccc(F)cc1	4342594	IZHCIGYBZIMQDE-UHFFFAOYSA-N	239.296	3.050	0	50	BGAA	
C[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1	4773141	ICMUUFNWMOFVCX-LBPRGKRZSA-N	228.339	3.400	0	50	BGAA	
COc1ccc(CN[C@H]2CCC[C@H](C)C2)cc1	4989525	NFMRIHJKMQOQOC-JSGCOSHPSA-N	233.355	3.364	0	50	BGAA	
CC(C)(O)c1ccc2cc(C(C)(C)O)ccc2c1	5357785	DXIUSVDANCIIAR-UHFFFAOYSA-N	244.334	3.295	0	50	BGAA	
c1ccc2c(-c3nccs3)c[nH]c2c1	14766021	IYODIJVWGPRBGQ-UHFFFAOYSA-N	200.266	3.291	0	50	BGAA	endogenous,in-man
Cc1cccc(-c2ccc(F)c(C(=O)O)c2)c1	38068223	JCZYXRLTOQBCCH-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
O=Cc1ccc(-c2ccc(C(=O)O)cc2F)cc1	65349747	SGWIJMSLNUZJOB-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	in-vitro
OCc1ccccc1-c1cccc2cnccc12	65369930	QYNNJLXIFNJTDQ-UHFFFAOYSA-N	235.286	3.394	0	50	BGAA	
Cc1cc2c(Br)cccc2[nH]1	72482090	MXRPXKYWAYTGJY-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
OCc1ccc2ccc(Br)cc2c1	143660759	YLFSBYGBYCQPIN-UHFFFAOYSA-N	237.096	3.095	0	50	BGAA	
Cc1nc(-c2ccc(F)c(F)c2)ccc1C(=O)O	160972529	XVMLMMLWOPUHRS-UHFFFAOYSA-N	249.216	3.033	0	50	BGAA	
COC(=O)c1ccc(OCc2ccccc2)cc1	156676	ZLLQTDQOTFCCDF-UHFFFAOYSA-N	242.274	3.052	0	50	BGAA	in-vitro
COc1ccc(NC(=O)c2cc(C)c(C)o2)cc1	432766	GBYBYGWMAXSVHB-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
O=C(Cc1ccccc1)Cc1ccccc1	1679978	YFKBXYGUSOXJGS-UHFFFAOYSA-N	210.276	3.041	0	50	BGAA	endogenous,in-man
Cc1ccc(Cl)cc1NC(=O)N1CCCC1	8714295	ZEXDFZXGOCDHIX-UHFFFAOYSA-N	238.718	3.276	0	50	BGAA	
C[C@H](CC(=O)O)c1ccc(Br)cc1	11628749	FBASDSAHBADZFQ-SSDOTTSWSA-N	243.100	3.027	0	50	BGAA	
O=c1c2c([nH]c3ccccc13)CCCCCC2	18190128	QJMUEHICSAMSMF-UHFFFAOYSA-N	227.307	3.187	0	50	BGAA	
CCCC[C@H](CO)N[C@@H]1CCCC(C)(C)C1	20865582	PYZYMBDQQKDHSC-CHWSQXEVSA-N	227.392	3.096	0	50	BGAA	
CCC[C@@H]1SCCN1C(=O)c1cccs1	118649767	YHHCHMMNVIQFSQ-JTQLQIEISA-N	241.381	3.063	0	50	BGAA	
CCCN(C)[C@@H]1C[C@H](OCC)C12CCCCC2	170639847	QIAZITDQGOOBER-KGLIPLIRSA-N	239.403	3.456	0	50	BGAA	
CC1(C(=O)N2CC(C3CCCC3)C2)C[C@H]2C[C@@H]2C1	334348464	YWQADHBDHJLTTJ-CHWSQXEVSA-N	247.382	3.071	0	50	BGAA	
Fc1ccc(-c2nnc(-c3ccco3)o2)cc1	76750	IYRCWPOMYURGIF-UHFFFAOYSA-N	230.198	3.136	0	50	BGAA	
CC(=O)c1ccc(N2CCC(C)CC2)c(F)c1	139636	KABKVMCSWOIKRT-UHFFFAOYSA-N	235.302	3.265	0	50	BGAA	
Cc1cccc(C(C)C)c1NC(=O)C1CC1	375612	IPRQWQCJFSKTDE-UHFFFAOYSA-N	217.312	3.467	0	50	BGAA	
Fc1ccc(NCc2cccnc2)cc1Cl	484995	VUSYQVUTFPOBER-UHFFFAOYSA-N	236.677	3.486	0	50	BGAA	
Nc1nc(=S)[nH]cc1-c1ccccc1Cl	1749082	JHFSRYLDAFDRPQ-UHFFFAOYSA-N	237.715	3.042	0	50	BGAA	
Cc1ccc([C@H](O)c2cccc(F)c2)cc1	4255955	WFDCQCJLSYBMAE-AWEZNQCLSA-N	216.255	3.216	0	50	BGAA	
Cc1ccnc(NC(=O)Nc2ccccc2C)c1	6701592	AXKCBWBSQRRKAS-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
CC1=C(/C=C/c2ccccc2)CCN(C)C1	13125106	WEPGXCWHRMZPKY-CMDGGOBGSA-N	213.324	3.352	0	50	BGAA	
Cc1ccccc1-c1ncncc1Br	15021265	XVDXNYDQDDAKED-UHFFFAOYSA-N	249.111	3.215	0	50	BGAA	in-vitro
C[C@]12CCCCC1=N[C@@H](c1ccccc1)N2O	23114663	HOUYFKJROMXWKZ-KGLIPLIRSA-N	230.311	3.164	0	50	BGAA	
Brc1cncc(Cc2ccccc2)c1	112926604	YKFQWSDTFGYJKJ-UHFFFAOYSA-N	248.123	3.435	0	50	BGAA	
C[C@H]1CCO[C@H]1c1nc(C2CCCCC2)no1	128726645	NZWQQYNNIBPJOT-GXSJLCMTSA-N	236.315	3.215	0	50	BGAA	
CCOC(=O)Cc1cc(Cl)c(Cl)cc1C	260105931	ROZKWJHDCFCYCW-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
Cc1cc(F)c(F)c(OC(F)(F)F)c1	263624204	OIPVOHMKKPRCIX-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
C[C@H]1CC(C)(C)c2c(F)cc(F)c(N)c21	669374185	AQRLHVPRHGZGCY-LURJTMIESA-N	211.255	3.332	0	50	BGAA	
CC(=O)[C@H]1COc2c(Cl)cc(Cl)cc2C1	675064205	XLFAUDACEJLIQK-MRVPVSSYSA-N	245.105	3.134	0	50	BGAA	
O=C(Nc1ccc(F)cc1)Nc1cccc(O)c1	399805	BASVXNNPMBRKEP-UHFFFAOYSA-N	246.241	3.175	0	50	BGAA	
O=c1oc(-c2ccccc2)cc2ccccc12	402011	GDHDASZYFUIDMH-UHFFFAOYSA-N	222.243	3.460	0	50	BGAA	biogenic
c1ccc(Cc2nc(-c3cccs3)no2)cc1	1420884	WSHBYOOZHQPVSF-UHFFFAOYSA-N	242.303	3.389	0	50	BGAA	
O=C1C[C@H](c2ccccc2)Nc2ccccc2N1	1514336	BPBSKHLEGJWMBO-CQSZACIVSA-N	238.290	3.182	0	50	BGAA	
CC[C@@H](C)c1ccc(-n2c(C)nnc2S)cc1	6394153	OTMYQSMNRJRERR-SECBINFHSA-N	247.367	3.378	0	50	BGAA	
CC(C)Oc1cccc(C(=O)NC(C)(C)C)c1	6697900	CKWPRVWUTRADPV-UHFFFAOYSA-N	235.327	3.002	0	50	BGAA	
C[C@H](N)c1ccc(Br)c(Cl)c1	84530266	VYWSQZUPZFAQCQ-YFKPBYRVSA-N	234.524	3.122	0	50	BGAA	
Fc1cc(Br)c2occc2c1F	143463648	DCNVPYHWDHKFIW-UHFFFAOYSA-N	233.011	3.474	0	50	BGAA	
O=C(O)c1c(C(F)F)ccc2ccccc12	309387184	MTAVJMZPUGMVAA-UHFFFAOYSA-N	222.190	3.476	0	50	BGAA	
O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCCCCC1	293101	IARCCLBTJJIKAZ-HUUCEWRRSA-N	243.350	3.193	0	50	BGAA	
C[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1	398698	WUVXFRGZGNSTQR-SNVBAGLBSA-N	236.290	3.090	0	50	BGAA	
CCOC(=O)c1ccc(-c2ccc(O)cc2)cc1	403187	FYXQIMAAEMCZLV-UHFFFAOYSA-N	242.274	3.236	0	50	BGAA	in-vitro
C[C@@H](CC(=O)O)Nc1ccc(Cl)c(Cl)c1	5022969	FQQKIYYXVGSHRK-LURJTMIESA-N	248.109	3.269	0	50	BGAA	
O=C(Nc1ccc2[nH]ncc2c1)C1CCCCC1	6448504	DAGIQWKGXGQHPJ-UHFFFAOYSA-N	243.310	3.082	0	50	BGAA	
CCCCc1c(C)[nH]c2ccc(OC)cc2c1=O	8740322	FXCPPRVOLDBWLS-UHFFFAOYSA-N	245.322	3.188	0	50	BGAA	biogenic
CC[C@@H](C)NC(=O)N[C@@H]1CCCc2ccccc21	13745660	UEELWSAGBLVMTD-BXUZGUMPSA-N	246.354	3.162	0	50	BGAA	
COC(=O)[C@@H]1CC[C@H](C(C)(C)C)C[C@@H]1C	25625252	NYEXNQKLWCUFKZ-GARJFASQSA-N	212.333	3.258	0	50	BGAA	
Fc1ccc2nccc(Br)c2c1	26507948	HIWPTYUKGHNQCU-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
CC(C)(C)c1ccc(-c2cncnc2)cc1	67514718	AJZVQVUAXSZEAF-UHFFFAOYSA-N	212.296	3.441	0	50	BGAA	
Cc1cc(N2CCCC2)c(F)cc1-c1ncc[nH]1	67724817	PUQSYZWGIHOCPD-UHFFFAOYSA-N	245.301	3.124	0	50	BGAA	
Clc1ccc2c(n1)[nH]c1ccccc12	114365815	KKTJYGKCUULHIN-UHFFFAOYSA-N	202.644	3.370	0	50	BGAA	
CCc1occ(-c2ccccc2)c1C(=O)O	145565194	XXKIGLVHMHAQRP-UHFFFAOYSA-N	216.236	3.207	0	50	BGAA	
O=Cc1cc(Br)c(Cl)cc1F	216993620	XXIYYWQCGYDEFE-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
CC(C)(C)c1nnc(NCc2ccco2)s1	268514050	VDFPEDKPSQAINP-UHFFFAOYSA-N	237.328	3.041	0	50	BGAA	
Cc1nc(N)sc1-c1ccn(C2CCCC2)n1	299798775	SMMDHBYCTAVXNT-UHFFFAOYSA-N	248.355	3.012	0	50	BGAA	
O=Cc1ccccc1-c1ccnc(C(F)F)c1	725273444	CYBJCPGFRDWJTN-UHFFFAOYSA-N	233.217	3.499	0	50	BGAA	
CCc1cnc(NC(=O)[C@@H]2C=CCCC2)s1	2325734129	OHTVEKWTGIDXFC-SECBINFHSA-N	236.340	3.000	0	50	BGAA	
O=C(O)[C@@H](Cc1ccccc1)c1ccccc1	164149	PCRICPYPVZKEBZ-AWEZNQCLSA-N	226.275	3.098	0	50	BGAA	biogenic,in-vitro
C[C@@H]1CCCN(C(=O)Nc2ccc(F)cc2)C1	287198	FZHFAAZUPUOGKU-SNVBAGLBSA-N	236.290	3.090	0	50	BGAA	
O=C(NCCC1=CCCCC1)c1cccs1	291571	UHRYBKPECQKMGQ-UHFFFAOYSA-N	235.352	3.368	0	50	BGAA	
Cc1cccc(Cn2cnc3ccccc32)c1	460111	CLVZYYZRLSFTTE-UHFFFAOYSA-N	222.291	3.393	0	50	BGAA	
CCCc1ccc(C(=O)Nc2nccs2)cc1	1515556	YTNISUVZFKTYJR-UHFFFAOYSA-N	246.335	3.348	0	50	BGAA	
O=C(O)c1cccc(C(F)(F)F)c1Cl	2569254	AXOAWWUSRZCGKS-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	
CCC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2	4894208	SXLCTBVNFCXKEE-OWWVKFPZSA-N	235.371	3.118	0	50	BGAA	
CCNCCOc1ccccc1[C@H](C)CC	6729147	HRPNYJGZUVYMSR-GFCCVEGCSA-N	221.344	3.188	0	50	BGAA	
Nc1ccc(Cl)c([C@H](O)c2ccccc2)c1	16625253	PDZFPQVISAJZFY-CYBMUJFWSA-N	233.698	3.004	0	50	BGAA	
Brc1ccccc1-c1ncco1	40448421	KEVAWXLTQKEUTN-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	
O=C(c1cc(Br)ccc1F)C1CC1	66054977	FTLUBYFIQSKOKG-UHFFFAOYSA-N	243.075	3.181	0	50	BGAA	in-vitro
CC(C)c1cc(Br)ccc1C=O	67802829	DFXITAWUSFVYAL-UHFFFAOYSA-N	227.101	3.385	0	50	BGAA	in-vitro
FC(F)(F)c1ccnc(S)c1Cl	263624215	OKEYTNQWIKLZTG-UHFFFAOYSA-N	213.611	3.043	0	50	BGAA	
CCC1(C)CCN(C(=O)c2cccc(C)n2)CC1	299726571	RNISOTQNHOHYCP-UHFFFAOYSA-N	246.354	3.042	0	50	BGAA	
CC(=O)c1ccc(-c2c(C)noc2C)cc1C	906166090	XCCWYAOJNPXOBY-UHFFFAOYSA-N	229.279	3.469	0	50	BGAA	
CN(Cc1ccccc1N)C1CCCCC1	57065	MTVBBLNLYSYKCQ-UHFFFAOYSA-N	218.344	3.033	0	50	BGAA	in-vitro
O=C(NCCC1=CCCCC1)c1ccc(F)cc1	68703	FLUJDWNFMMMLFN-UHFFFAOYSA-N	247.313	3.446	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2)s1	111955	UTTYIXTVWNXIDC-UHFFFAOYSA-N	218.277	3.202	0	50	BGAA	
Cc1ccccc1[C@@H](CC(C)C)C(=O)O	394122	DPEQSOBXRLFAKC-GFCCVEGCSA-N	206.285	3.209	0	50	BGAA	in-vitro
CC(=O)Nc1ccc2c(c1)Cc1cc(F)ccc1-2	405257	UAGZFYAGROGZQW-UHFFFAOYSA-N	241.265	3.355	0	50	BGAA	
O=Cc1cccc(OCc2ccccc2)c1	1081250	JAICGBJIBWDEIZ-UHFFFAOYSA-N	212.248	3.078	0	50	BGAA	in-vitro
CCCCNC(=O)N(CCCC)CCCC	3075384	BTUGBRYRUQAFIJ-UHFFFAOYSA-N	228.380	3.398	0	50	BGAA	
FC(F)(F)c1ccccc1[C@H]1CCCN1	3732404	DRQIUNNVQDIWJF-SNVBAGLBSA-N	215.218	3.130	0	50	BGAA	in-vitro
CCN1CCC(Nc2ccc(Cl)cc2)CC1	4612736	IZMUIBJSNGUGLL-UHFFFAOYSA-N	238.762	3.236	0	50	BGAA	
CC[C@@H](Oc1ccccc1[C@H](C)CC)C(=O)O	10473494	XAMHWZJEVYGSKH-ZYHUDNBSSA-N	236.311	3.442	0	50	BGAA	
CC(C)C(=O)C(C)(C)c1nc2ccccc2[nH]1	13283523	WIHKPWWWRFYGJH-UHFFFAOYSA-N	230.311	3.066	0	50	BGAA	
CC(C)Oc1ccc(C(=O)C2CC2)cc1	34976986	STNRZNADQGAHEI-UHFFFAOYSA-N	204.269	3.067	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(F)cc2)cc1F	38068161	VHYXMXAOCUVYFJ-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
O=N/C(=C(\NO)c1ccccc1)c1ccccc1	111356526	ZXBLMXOUGVRCCH-YPKPFQOOSA-N	240.262	3.258	0	50	BGAA	
CC(=O)N1CCCc2ccc(C(F)(F)F)cc21	149935429	ZVHLZOPCFAKVSF-UHFFFAOYSA-N	243.228	3.005	0	50	BGAA	
O=Cc1cc(Cl)cc(OC(F)F)c1Cl	263623503	IACIFUOODCHQTE-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
C[C@@H]1CC(Nc2ncnc3[nH]ccc23)C[C@@H](C)C1	352242297	SXLFIMKBSLGBIW-UWVGGRQHSA-N	244.342	3.195	0	50	BGAA	
Cc1n[nH]c(C)c1CN[C@@H](C)C1=CCCCC1	952970292	KIZJHVQOVYLURC-JTQLQIEISA-N	233.359	3.005	0	50	BGAA	
CC(=O)Nc1ccc(-c2ccccc2)cc1	86025	SVLDILRDQOVJED-UHFFFAOYSA-N	211.264	3.312	0	50	BGAA	biogenic,in-vitro
CC1(C)C[C@@]2(CCO1)Cc1ccccc1C2=O	207010	RAXFORATYIEYFS-OAHLLOKOSA-N	230.307	3.001	0	50	BGAA	biogenic
O=C1c2ccccc2CCc2sccc21	247858	JAGBUENUSNSSFW-UHFFFAOYSA-N	214.289	3.078	0	50	BGAA	in-vitro
Fc1ccc(Cc2nc3ccccc3[nH]2)cc1	266049	NEHGGBXOZPFEFM-UHFFFAOYSA-N	226.254	3.293	0	50	BGAA	
CCn1ccnc1[C@@H](O)c1ccc(C(C)C)cc1	372911	YAAZDENZXLPOFP-AWEZNQCLSA-N	244.338	3.108	0	50	BGAA	
CCOc1ccc(NC(=O)c2ccc(C)o2)cc1	375491	PTXYBRWHKOMPFU-UHFFFAOYSA-N	245.278	3.239	0	50	BGAA	
Cc1cc(O)c(Br)cc1Cl	397579	GRQPDQPXSXQGBX-UHFFFAOYSA-N	221.481	3.117	0	50	BGAA	
Cc1ccc(NC(=O)NC(C)(C)C)c(C)c1	401510	LYZWFIUFAYQKPV-UHFFFAOYSA-N	220.316	3.223	0	50	BGAA	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1	407533	RETFJFAJKJBJAY-TZMCWYRMSA-N	231.339	3.304	0	50	BGAA	
c1ccc(-c2cc(N3CCCCC3)ncn2)cc1	432560	QGUXPHKMOOSURQ-UHFFFAOYSA-N	239.322	3.134	0	50	BGAA	
OCc1ccc(OCc2cccc(Cl)c2)cc1	475330	AAHKTJVLFUYJHF-UHFFFAOYSA-N	248.709	3.411	0	50	BGAA	
CC[C@H](C)c1ccccc1NC(=O)[C@@H]1CCCO1	618056	CUTCXQCLJXTUNX-FZMZJTMJSA-N	247.338	3.318	0	50	BGAA	
CC(C)Oc1ccc(Br)cc1F	2545231	SEMRUYDNRLXHHB-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	in-vitro
CCCCOc1ccc(NC(=O)C2CC2)cc1	2910815	OFRRPDAFTSGLLS-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
C[C@H](CNC(=O)C1CCCCC1)c1ccccc1	43700808	NDJJRWFIZWKWRN-CYBMUJFWSA-N	245.366	3.487	0	50	BGAA	
Nc1cc(Cl)cc(Br)c1Cl	67799963	ZEQKZRGDHYMUHS-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	
CC1=CC[C@H]2CO[C@@H](c3ccccn3)[C@H]1C2	100312674	XYCSKZKGWCWMMW-MBNYWOFBSA-N	215.296	3.125	0	50	BGAA	
Cc1c(O)ccc(NC(=O)OC(C)(C)C)c1F	725327713	AVDDIDIKZWRWSI-UHFFFAOYSA-N	241.262	3.187	0	50	BGAA	
CC(C)c1cc(F)cc(Br)c1N	1857780975	ZLLFSDAAWDEART-UHFFFAOYSA-N	232.096	3.294	0	50	BGAA	
Cc1ccccc1-c1nnc(-c2ccncc2)o1	306374	XAXIFEJDDFHXOZ-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H]1CCCO1	618055	CUTCXQCLJXTUNX-RISCZKNCSA-N	247.338	3.318	0	50	BGAA	
Cc1ccc(C(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1	1081365	JHAROMYZTGWTSG-QWHCGFSZSA-N	246.306	3.069	0	50	BGAA	
Cc1cc(OCCN)c(C(C)C)cc1Cl	4520664	CFZGMLJESZUTFL-UHFFFAOYSA-N	227.735	3.109	0	50	BGAA	
CCOc1cc(CN2CCCC[C@@H]2C)ccc1O	4988812	QHRGMALNVRQKCQ-LBPRGKRZSA-N	249.354	3.165	0	50	BGAA	
Clc1ccc(Cl)c(NC[C@H]2CCCN2)c1	6658204	GZUFTDJRFIDMIS-SECBINFHSA-N	245.153	3.157	0	50	BGAA	
Cc1ccc(NC(=O)[C@H]2CC23CCCCC3)cn1	20235152	MKSBRVNCSHDESH-CYBMUJFWSA-N	244.338	3.299	0	50	BGAA	
COc1ccc([C@H](C)N(C)C(=O)C=C(C)C)cc1	67868671	KUSRHICXFYAZOB-LBPRGKRZSA-N	247.338	3.181	0	50	BGAA	
Cc1cccc([C@H]2CCCN2CC(F)F)c1	170626396	ZKCJNEMHCOFCCI-GFCCVEGCSA-N	225.282	3.397	0	50	BGAA	
C[C@H]1C[C@@H]1c1nc(-c2ccc3cc[nH]c3c2)no1	225592234	BKNHEFQPWPQULX-KWQFWETISA-N	239.278	3.341	0	50	BGAA	
CCc1cnc(CN2CCC[C@H]3CCC[C@H]32)o1	252370621	YLBYNWNNMBJWRE-DGCLKSJQSA-N	234.343	3.002	0	50	BGAA	
Nc1cc(Cl)cc(Cl)c1OC(F)F	263624218	OKVLEBNECPGMGG-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
COc1cccc(-c2csc(C=O)c2)c1OC	725263989	DRUNHUIRTDNLEE-UHFFFAOYSA-N	248.303	3.245	0	50	BGAA	
COc1cccc(-c2cccc(OC)c2)c1	57148	UCHNVSDXSPIKRG-UHFFFAOYSA-N	214.264	3.371	0	50	BGAA	in-vitro
O=Cc1sccc1Oc1ccccc1	161192	QHJDRZXMSDASSH-UHFFFAOYSA-N	204.250	3.353	0	50	BGAA	
Fc1cccc(-c2nc3ccccc3[nH]2)c1	190958	WNDVNZISLWPOLI-UHFFFAOYSA-N	212.227	3.369	0	50	BGAA	
COC(=O)Nc1cccc2ccccc12	395068	IZPAJCSXPWFEPU-UHFFFAOYSA-N	201.225	3.018	0	50	BGAA	
COc1ccc(NC(=O)N2CCCC[C@@H]2C)cc1	400218	PNPLJRNYOSIQOD-NSHDSACASA-N	248.326	3.102	0	50	BGAA	
O[C@@H]1/C(=C/c2cccs2)Oc2ccccc21	1074454	MYNXYVXHUPQZDJ-FSBNRTBOSA-N	230.288	3.215	0	50	BGAA	
O=Cc1c(-c2cccc(F)c2)nc2sccn12	1406999	FQZNBCZTPKLGQV-UHFFFAOYSA-N	246.266	3.014	0	50	BGAA	
Cc1cc2nc(C(F)(F)F)[nH]c2cc1C	1627130	TWDHFGXLFNUIKC-UHFFFAOYSA-N	214.190	3.199	0	50	BGAA	in-vitro
Nc1c(-c2ccccc2)cnn1-c1ccccc1	2508428	OGWIUGFQFNQLNI-UHFFFAOYSA-N	235.290	3.122	0	50	BGAA	in-vitro
FC(F)(F)c1ccc2c(c1)NCCC2	2571875	RGZZKZNESVFQKR-UHFFFAOYSA-N	201.191	3.064	0	50	BGAA	in-vitro
O=Cc1ccc2c3c(ccc2c1)C(=O)CCC3	3132683	XMRNGDDBXCJCQM-UHFFFAOYSA-N	224.259	3.171	0	50	BGAA	
FC(F)(F)c1ccc([C@H]2CCCN2)cc1	3732405	GSOGADJIIMVREB-SNVBAGLBSA-N	215.218	3.130	0	50	BGAA	in-vitro
COc1ccc([C@H](O)c2cccc(Cl)c2)cc1	4242587	LNBBNIDRDBLRME-AWEZNQCLSA-N	248.709	3.430	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Cc2ccccc2C)cc1	6730832	MDGNFAQBITXSOZ-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
CCCCOc1cccc(NC(=O)C2CC2)c1	9777945	OVGDOXOMLDOZHC-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
Clc1ccc(-c2ccn[nH]2)cc1Cl	14807982	QQXLTXZREKUSII-UHFFFAOYSA-N	213.067	3.384	0	50	BGAA	in-vitro
CC(C)(C(=O)O)c1ccc(C(F)(F)F)cc1	20357723	HJQVJNQZQTWNPZ-UHFFFAOYSA-N	232.201	3.068	0	50	BGAA	in-vitro
Sc1ccc(Br)c(Cl)c1	36532992	OHZIKZATHQXXIK-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	in-vitro
Nc1cc(Cl)cc(Cl)c1Br	40448737	RPQNMASFJWYHNN-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	in-vitro
Fc1c(Br)ccc2cnccc12	95704977	NAUNIYPLNKIBDK-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2ccc(C)cc2C)n1	97756999	DFCOKQIVICOCER-UHFFFAOYSA-N	241.290	3.152	0	50	BGAA	
COc1cc(Br)c2cnccc2c1	118863500	KOPSDOQUXJXWBM-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
O=C(c1cc(F)cc(Cl)c1)N1CCCCC1	261494185	ROYAHGQWRSHFON-UHFFFAOYSA-N	241.693	3.105	0	50	BGAA	
COCc1csc(-c2sccc2C)n1	280830440	SJAVBBMGIYQAAY-UHFFFAOYSA-N	225.338	3.326	0	50	BGAA	
C[C@@H](n1ccnc1C1CCCCC1)C1(O)CC1	1875250896	PGFXGYOSTRODJA-LLVKDONJSA-N	234.343	3.017	0	50	BGAA	
CCCC(=O)Nc1ccccc1OC(F)(F)F	287173	GGVYJQGUSLWBCI-UHFFFAOYSA-N	247.216	3.324	0	50	BGAA	
CCCN1CCC(NCC2CCCCC2)CC1	757090	HVKIUWHXMZINMM-UHFFFAOYSA-N	238.419	3.031	0	50	BGAA	
Cc1cccc(OCCNC2CCCC2)c1C	2845067	PCILJLDKKNGWEM-UHFFFAOYSA-N	233.355	3.214	0	50	BGAA	
CCN(CC)CCCCOc1ccccc1F	2880515	PRCISMQNCMMXBU-UHFFFAOYSA-N	239.334	3.327	0	50	BGAA	
CC(C)(C)NCc1c[nH]c2ccccc12	5158785	ZJVJIBTYRQHKDO-UHFFFAOYSA-N	202.301	3.056	0	50	BGAA	
Cc1ccccc1NC(=O)c1c(C)coc1C	9764023	ZCQVIMRGJFYODV-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
O=[S@](O)c1ccc2oc3ccccc3c2c1	12416494	QYRVEHFCYIKWAT-UHFFFAOYSA-N	232.260	3.167	0	50	BGAA	
CCOc1cccc(C(=O)Nc2ccccc2)c1	14042008	IWTITNIMMRUDSN-UHFFFAOYSA-N	241.290	3.338	0	50	BGAA	
CC[C@H](C)NC(=O)c1ccc(Cl)cc1F	32767990	PJAFSYIZCUMIGP-ZETCQYMHSA-N	229.682	3.007	0	50	BGAA	
Cc1ccc(-c2cccc([C@@H](C)N(C)C)c2)nn1	65398726	KUDCREAFNUKHAO-GFCCVEGCSA-N	241.338	3.075	0	50	BGAA	
Cc1cc(NC(=O)OC(C)(C)C)cs1	82160670	VIPISFZPXVBJCK-UHFFFAOYSA-N	213.302	3.404	0	50	BGAA	in-vitro
Cc1nc(-c2ccoc2)n(C2CCCCC2)n1	670441063	AYKQBVRPSOMUTR-UHFFFAOYSA-N	231.299	3.352	0	50	BGAA	
COc1nc2ccccc2cc1-c1ccns1	1875246726	LHVIDCMNADPMFM-UHFFFAOYSA-N	242.303	3.367	0	50	BGAA	
C(=C1CCC1)c1cccc2nnsc12	2325777946	RLHIURIFNZFHPL-UHFFFAOYSA-N	202.282	3.259	0	50	BGAA	
CCCC12CCC(NC(C)=O)(CC1)CC2	263742	QQHNEYXODDQVBV-UHFFFAOYSA-N	209.333	3.016	0	50	BGAA	
CCCCCCc1cc(C=O)c(O)cc1O	1883564	UBCGVJPYIHKJRH-UHFFFAOYSA-N	222.284	3.033	0	50	BGAA	in-vitro
N[C@H]1CCCc2c1[nH]c1ccc(Cl)cc21	5678093	BWLLTVHXDXVUIQ-JTQLQIEISA-N	220.703	3.157	0	50	BGAA	
COc1ccc(Oc2ccccc2)c(N)c1	8306543	UOGZDMKXQVZVGO-UHFFFAOYSA-N	215.252	3.070	0	50	BGAA	
CC(C)Cc1cccc([C@H](C)C(=O)O)c1	13646198	SFVKLYXPBKITCE-JTQLQIEISA-N	206.285	3.073	0	50	BGAA	in-vivo
CCc1c(C(=O)Nc2cccnc2)csc1C	16603908	YRFQNAXJWAXYCN-UHFFFAOYSA-N	246.335	3.266	0	50	BGAA	
Nc1ccccc1Nc1ccccc1F	26517018	OYGRPIXAYJLZEN-UHFFFAOYSA-N	202.232	3.152	0	50	BGAA	in-vitro
Cc1cc(Br)c(S)cc1F	36532971	DMEZQOCEXSLDRH-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
CC1(C)N(O)C=C(c2ccccc2)[N+](=O)C1(C)C	334157352	YBTOOFLYMUSDHN-UHFFFAOYSA-N	247.318	3.026	0	50	BGAA	
FC(F)(F)c1cc(CNC2CCCCC2)no1	585117086	QMHSLYXOOUSYHZ-UHFFFAOYSA-N	248.248	3.116	0	50	BGAA	
OCCCC1(c2cccs2)CCSCC1	1857795691	VYTSGJNFQQSZJA-UHFFFAOYSA-N	242.409	3.285	0	50	BGAA	
c1ccn2cc(-c3ccc4c(c3)OCO4)cc2c1	93834	OITYQCBHFKMGEL-UHFFFAOYSA-N	237.258	3.335	0	50	BGAA	
Cc1cc(C)n(C(=O)Nc2ccccc2Cl)n1	283014	KWNFBWYBNPZVSF-UHFFFAOYSA-N	249.701	3.234	0	50	BGAA	
C[C@H](OC(=O)c1ccccc1O)c1ccccc1	394267	HQDSNAACHSHYQI-NSHDSACASA-N	242.274	3.310	0	50	BGAA	
CCOC(=O)Nc1cccc(C(F)(F)F)c1	1682753	PMUYMIHQAGLXJY-UHFFFAOYSA-N	233.189	3.274	0	50	BGAA	
Fc1c(F)c(Cl)c(F)c(F)c1S	2559050	UXQKSGKKWOHQPO-UHFFFAOYSA-N	216.586	3.185	0	50	BGAA	
CNCc1ccccc1-c1cccs1	3880928	MRKJJEJYTBOUTH-UHFFFAOYSA-N	203.310	3.135	0	50	BGAA	in-vivo
COc1ccccc1CNCc1cccc(C)c1	5005844	OLDDCNRRIRZCRU-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	biogenic
O=C(O)C[C@@H](c1ccccc1)c1ccc(F)cc1	5068552	NKBOILGAWSETPR-AWEZNQCLSA-N	244.265	3.432	0	50	BGAA	
O=C(O)c1cc(F)ccc1-c1ccccc1	21950479	UMKQVJNACDJQQK-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
Cc1ccc(OCCc2cncnc2)c(Cl)c1	82099286	IDGQNRCEXOWILR-UHFFFAOYSA-N	248.713	3.060	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2F)c(F)c1	97757339	CBZQHHFAEJLXCY-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
O=C(O)c1csc2c1CCCCCC2	111849183	QIGYQCPBQLYULG-UHFFFAOYSA-N	210.298	3.105	0	50	BGAA	
CCCCOB(OCCCC)OCCCC	169743060	LGQXXHMEBUOXRP-UHFFFAOYSA-N	230.157	3.421	0	50	BGAA	in-vitro
CC(C)(C)c1noc(C2[C@@H]3CCCC[C@@H]23)n1	170655122	ANNKPCGMSFVGSO-RKDXNWHRSA-N	220.316	3.271	0	50	BGAA	
Oc1cc(F)c(Br)c(F)c1Cl	217386112	LAYKVOQCNKPBQS-UHFFFAOYSA-N	243.434	3.086	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)C[C@@H](C)N1	757208881	FBEDMYKQEVHCLX-OSQNNJELSA-N	243.354	3.320	0	50	BGAA	
Cc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1	292644	TYGISFKQVIYHFA-CHWSQXEVSA-N	231.339	3.398	0	50	BGAA	
Cc1nc(NC(=O)c2ccccc2)sc1C	320650	BDMRYFFDMJVVMY-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
CCCOc1ccc(Br)cc1C=O	2578542	SASOCTFNKIYVBF-UHFFFAOYSA-N	243.100	3.050	0	50	BGAA	in-vitro
FC(F)c1cc(Br)cs1	4290564	FPSAHMIQBUZQQQ-UHFFFAOYSA-N	213.046	3.448	0	50	BGAA	
Cc1cc(C(C)(C)C)ccc1OCCN(C)C	4915067	FTYOSVOSXOLKLF-UHFFFAOYSA-N	235.371	3.233	0	50	BGAA	
CCNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	17722107	VWSJQWYFRAGUOT-LCBVDAKKSA-N	235.371	3.119	0	50	BGAA	
CCCN(CCC)CCc1cccc(O)c1	29327451	ZNNWOWADALHHDU-UHFFFAOYSA-N	221.344	3.057	0	50	BGAA	
Cc1cc(Oc2ccccc2)ccc1C(=O)O	36192645	CINTXXPQWRCNAU-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	in-vitro
C[C@@H]1CCC[C@@]2(CC(=O)c3ccc(O)cc3O2)C1	49466351	DSODKSULHXYBLA-BMIGLBTASA-N	246.306	3.306	0	50	BGAA	biogenic
Cc1ccc(F)c(CNC2CCSCC2)c1	227287110	JDVFNLWZISJZCW-UHFFFAOYSA-N	239.359	3.119	0	50	BGAA	
CC(C)C(=O)N1[C@H](C)C[C@@H](c2ccccc2)[C@H]1C	247527536	WXFMAQTUAOEMHJ-UMVBOHGHSA-N	245.366	3.436	0	50	BGAA	
O=C(O)CCc1ccc(Cl)c(Cl)c1	151738	NHYJRLYFKZYPMO-UHFFFAOYSA-N	219.067	3.011	0	50	BGAA	in-vitro
Cc1cc2c(NCc3ccco3)ncnc2s1	224098	ASBQCELLGZBVEP-UHFFFAOYSA-N	245.307	3.205	0	50	BGAA	
Cc1cccc2c1OC(=O)C[C@@H]2c1ccccc1	313218	DHWCYWMREWZXQR-CQSZACIVSA-N	238.286	3.436	0	50	BGAA	
CCCCNC(=O)Nc1ccc(C)cc1C	2170918	IPPLJPQGWKBQAK-UHFFFAOYSA-N	220.316	3.225	0	50	BGAA	
NCc1nc(-c2ccc3ccccc3c2)cs1	3709644	FPRFIRHKNQFWTF-UHFFFAOYSA-N	240.331	3.422	0	50	BGAA	
Fc1ccc(-c2noc(-c3ccco3)n2)cc1	6702234	RXYQXDVUUVZKIS-UHFFFAOYSA-N	230.198	3.136	0	50	BGAA	
NC[C@@H](c1ccccc1)c1ccc(Cl)cc1	14961151	PNKKPFLBOWGVSF-AWEZNQCLSA-N	231.726	3.431	0	50	BGAA	
C1CCC2(CC1)C1=C(CCCC1)N=C1NN=NN12	17836980	OKLQPRBNULENCJ-UHFFFAOYSA-N	245.330	3.074	0	50	BGAA	
C[C@@H](Cc1ccccn1)N(C)Cc1ccccc1	65506165	HDERLWJRYGZXJF-AWEZNQCLSA-N	240.350	3.145	0	50	BGAA	
Cc1cccc(S)c1Br	67796576	MLZXIPKHWMGBMD-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
Cc1ccc(O)cc1OCc1ccccc1	140374992	KDCMAYUNTSVHDE-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	
N[C@H](CCC1CCCC1)c1cccnc1	228651524	IFSZLRQFMHVLAC-CYBMUJFWSA-N	204.317	3.052	0	50	BGAA	
CC(C)COc1cc(N)ccc1Br	230797684	NVPXSVWGFLMICF-UHFFFAOYSA-N	244.132	3.066	0	50	BGAA	
Cc1cncc(N[C@@H]2CCOC3(CCCC3)C2)c1	846753629	XJIBRRWEEKVOOS-CYBMUJFWSA-N	246.354	3.294	0	50	BGAA	
C=CC(=O)N[C@H](C)CCC1CCCCC1	1338390693	XETNJOIAJZDLQE-LLVKDONJSA-N	209.333	3.038	0	50	BGAA	
CCc1ccc(-c2ocnc2CC2CC2)nc1	2356142259	KVFNMOHANSMWJV-UHFFFAOYSA-N	228.295	3.252	0	50	BGAA	
CSc1ccsc1C1=NC(C)(C)CO1	109054	RRGCQPOAEMJNJF-UHFFFAOYSA-N	227.354	3.025	0	50	BGAA	
NC[C@@H](Cc1ccccc1F)c1ccccc1	112546	AVXOIIFYQXGQRL-CQSZACIVSA-N	229.298	3.111	0	50	BGAA	
CCN(CC)C(=O)CCC1CCCCC1	1467740	QAXBHPWVNOVJNJ-UHFFFAOYSA-N	211.349	3.215	0	50	BGAA	
CCOc1ccc2nc(SCC)[nH]c2c1	1467986	XFLUTXZJXVSDEZ-UHFFFAOYSA-N	222.313	3.074	0	50	BGAA	
Clc1ccc(CNCc2ccncc2)cc1	4413556	INIBWQHGQYJGEZ-UHFFFAOYSA-N	232.714	3.025	0	50	BGAA	
Cc1cc(C)cc(C(C)(C)CC(=O)O)c1	5378998	XYQGTMYEDMIQGB-UHFFFAOYSA-N	206.285	3.056	0	50	BGAA	
O=Cc1c(F)ccc(Cl)c1Br	90411211	XDWZRCXBBQWCBS-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	in-vitro
C[C@@H]1C(=O)N(c2ccccc2)c2ccccc21	100030593	DJKASMOURATDIE-NSHDSACASA-N	223.275	3.468	0	50	BGAA	
Oc1ccccc1Oc1ccccc1F	146896060	ULFVFOMZJIBKKV-UHFFFAOYSA-N	204.200	3.324	0	50	BGAA	
C[C@H]1N=C(C2CCCC2)c2ccccc2NC1=O	1615058617	RNVSKDBQKBGUNM-SNVBAGLBSA-N	242.322	3.007	0	50	BGAA	
Cc1ccc([C@@H](CC(=O)O)c2ccco2)cc1	209103	SRXLYDLLEQHJJL-GFCCVEGCSA-N	230.263	3.195	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1ccccc1Cl	401577	VGMMMKWQLNBRPO-QMMMGPOBSA-N	226.707	3.260	0	50	BGAA	
Cc1ccc(-c2nnc(-c3ccco3)o2)cc1	437620	HPYNJLVNGHQMRL-UHFFFAOYSA-N	226.235	3.305	0	50	BGAA	
Cc1ccccc1NC(=S)NC(C)(C)C	472948	SYLDFIKYYPUOJJ-UHFFFAOYSA-N	222.357	3.080	0	50	BGAA	
CCCCC(=O)NC1C2CC3CC(C2)CC1C3	2065666	NZUQGJNJJFJPQY-UHFFFAOYSA-N	235.371	3.118	0	50	BGAA	
Cc1cc(SC(F)(F)F)ccc1O	2540383	PCFLBUCOJDWVDC-UHFFFAOYSA-N	208.204	3.313	0	50	BGAA	
O=C(O)c1ccc(F)c(-c2ccc(F)cc2)c1	32003063	APEQCNZKOZCYQR-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
O=C1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@H]1[C@@H]32	248006871	UEMYAOLZGPYWPV-GUYJKWIASA-N	222.287	3.091	0	50	BGAA	
CC(=O)SCc1ccccc1Cl	261506957	CYOYOMBXWRTWFY-UHFFFAOYSA-N	200.690	3.120	0	50	BGAA	in-vitro
CC(=O)c1c(F)cccc1C(F)(F)F	56755	IYMYYQMPOBPRPU-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	in-vitro
Cc1oc2cc3oc(=O)ccc3cc2c1C	407796	SXACOUILNSSCPR-UHFFFAOYSA-N	214.220	3.156	0	50	BGAA	biogenic
Cc1ccnc(SCc2ccccc2)n1	574232	YCASNGYIFYYTRA-UHFFFAOYSA-N	216.309	3.077	0	50	BGAA	
CC[C@@H](C)NCCCOc1ccc(C)cc1	2822174	RVUBIEYXBZNZPX-CYBMUJFWSA-N	221.344	3.152	0	50	BGAA	
N=C(N)SCc1ccc(Cl)c(Cl)c1	4013992	LZTCFLDZLBOLDW-UHFFFAOYSA-N	235.139	3.120	0	50	BGAA	in-vivo
CCc1ccc(Nc2ncccc2C(=O)O)cc1	13090556	IWDDQRJUPZROSB-UHFFFAOYSA-N	242.278	3.086	0	50	BGAA	
FC(F)(Br)c1nc2ccccc2o1	16159076	QJYISAVBXVIYNO-UHFFFAOYSA-N	248.026	3.272	0	50	BGAA	
Cc1nc2ccccc2nc1-c1c(C)noc1C	19865713	MWVMQOJNRPDUJR-UHFFFAOYSA-N	239.278	3.210	0	50	BGAA	
Oc1ccccc1-c1ccc2cccnc2n1	154226	AYKMXKNVEUMLFQ-UHFFFAOYSA-N	222.247	3.002	0	50	BGAA	
Cc1ccc(NC(=O)C2[C@@H]3CCCC[C@@H]23)cc1	300915	ZJERMVFQFCPDPT-CHWSQXEVSA-N	229.323	3.370	0	50	BGAA	
O=C(c1ccccc1)C1(Br)CCC1	1717774	QRQXQUHNYPUQQT-UHFFFAOYSA-N	239.112	3.187	0	50	BGAA	
Cc1ccc(C)c(OCCCCn2ccnc2)c1	2494543	MOWXKVLGLKIYPZ-UHFFFAOYSA-N	244.338	3.359	0	50	BGAA	
CC(=O)c1ccc(CCCCCC(=O)O)s1	3178413	XMBQWQQHHNNVEH-UHFFFAOYSA-N	240.324	3.138	0	50	BGAA	
Cc1coc(C)c1C(=O)Nc1ccccc1	9764047	NMRDELHCVAOOPZ-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
CCCCC1(O)C2CC3CC(C2)CC1C3	39256161	PXRAOOXXPGRCJZ-UHFFFAOYSA-N	208.345	3.364	0	50	BGAA	in-vitro
Cc1ccc2[nH]cc(-c3c[nH]c(C)n3)c2c1	67459205	KWHDAQDWJAQXEV-UHFFFAOYSA-N	211.268	3.175	0	50	BGAA	
CC(C)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	72115987	BMNAPGMWKUJXBM-GFCCVEGCSA-N	247.338	3.061	0	50	BGAA	
C[Si](C)(C)CCOCn1ccc2cccnc21	169811387	JYIGYTWAYATZEO-UHFFFAOYSA-N	248.402	3.349	0	50	BGAA	in-vitro
Oc1ccc2c(c1)C[C@H]1CCCC[C@H]1C2	238706427	QSXZTSVXLUCUEB-WDEREUQCSA-N	202.297	3.297	0	50	BGAA	
Fc1cccc2c(CC3CCOCC3)c[nH]c12	255188992	MZGAQGWKHPZQBB-UHFFFAOYSA-N	233.286	3.276	0	50	BGAA	
CO[C@H](C)c1ccc(-c2nnc(C)s2)cc1	426515503	JTSPGOLVDXMYAS-MRVPVSSYSA-N	234.324	3.221	0	50	BGAA	
C1=CC[C@@H](c2nccn2C2CCOCC2)CC1	1857728121	OLXQPQLOMOCUFZ-GFCCVEGCSA-N	232.327	3.058	0	50	BGAA	
Cc1ccc(C)n1NC(=O)c1cccc(Cl)c1	479750	ANQCOXHOMPOZMC-UHFFFAOYSA-N	248.713	3.142	0	50	BGAA	
Cc1ccc(NC(=S)NC(C)(C)C)cc1	1157211	GHQXIMOGVZTWQU-UHFFFAOYSA-N	222.357	3.080	0	50	BGAA	
Cc1ccc(OCCNC(C)(C)C)c(Cl)c1	2931016	HFUKFFXDKPGKBC-UHFFFAOYSA-N	241.762	3.415	0	50	BGAA	
C[C@H](NC(=O)c1cccs1)c1ccc(F)cc1	3336759	AQVSWCTVIGCCSE-VIFPVBQESA-N	249.310	3.378	0	50	BGAA	
CC[C@H](N)CC12CC3CC(CC(C3)C1)C2	4125087	HUCUZLRORHFRHN-PRTVBDMESA-N	207.361	3.330	0	50	BGAA	
Cc1ccc([C@H](O)c2cccc(C)c2)cc1	4255605	CPBLKWQHXVGPLN-HNNXBMFYSA-N	212.292	3.385	0	50	BGAA	biogenic
CCCC[C@@H](C(C)=O)C(=O)Nc1ccc(C)cc1	5792968	TWOVPKSKFWYQES-AWEZNQCLSA-N	247.338	3.329	0	50	BGAA	
O=C(NCCC1CCCCC1)N1CCCCC1	6701973	GYRFZTTWVZECEU-UHFFFAOYSA-N	238.375	3.152	0	50	BGAA	
O=Cc1cc(Br)c(F)cc1Cl	216316909	BYQYKULUMHCIEE-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
COC1=N[C@]2(C)C(C)=C(C)[C@]3(C)[C@@]1(C)[C@]32C	230109926	YCQKYUSVJJMVNR-RQJABVFESA-N	219.328	3.186	0	50	BGAA	
ClC(Cl)=CCSC1CCOCC1	585093526	KOOAXYNNPBCJFN-UHFFFAOYSA-N	227.156	3.218	0	50	BGAA	
COCCSCc1nsc2ccccc12	585118255	IIXOWJASTFXJDU-UHFFFAOYSA-N	239.365	3.176	0	50	BGAA	
C[C@H]1CC(C)(C)Cc2c1sc1nc[nH]c(=O)c21	309262	KHPXLZVZHSKEPY-ZETCQYMHSA-N	248.351	3.061	0	50	BGAA	
O=C(O)CC1c2ccccc2-c2ccccc21	388682	WFSMJMTYIMFHPV-UHFFFAOYSA-N	224.259	3.274	0	50	BGAA	in-vitro
CC(C)=CC(=O)Oc1cccc2cccnc12	394444	PHTCHIBGRIDLJH-UHFFFAOYSA-N	227.263	3.106	0	50	BGAA	
Fc1cccc(NC(=S)N2CCCCC2)c1	459167	MGYWRHOEYMOXBT-UHFFFAOYSA-N	238.331	3.008	0	50	BGAA	
c1ccc(-c2csc(N3CCCC3)n2)cc1	1519711	FPGSFUUWEANWRU-UHFFFAOYSA-N	230.336	3.410	0	50	BGAA	
C[C@H](CCc1ccc(O)cc1)N1CCCCC1	4989205	DJRPAFVXBZRUJP-CYBMUJFWSA-N	233.355	3.199	0	50	BGAA	
Cc1c(C(=O)NC2CCCC2)oc2ccccc12	7950990	QIABDXDNGNPBQK-UHFFFAOYSA-N	243.306	3.414	0	50	BGAA	
C/C(=C\C(=O)O)C12CC3CC(CC(C3)C1)C2	12339590	WAUDIYIPJOHERP-XNWCZRBMSA-N	220.312	3.234	0	50	BGAA	in-vitro
O=C(NCc1cccc(Cl)c1)C1CCCC1	13327470	UBGXDURZCHTKFM-UHFFFAOYSA-N	237.730	3.146	0	50	BGAA	
Cc1ccccc1-c1ccc(Cl)nn1	15021730	NWOBIVPDWBWZJH-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	in-vitro
N[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	19968862	TYGZOSNZKNDNRT-ZETCQYMHSA-N	243.150	3.268	0	50	BGAA	
Oc1cc(F)c(OCc2ccccc2)c(F)c1	34247763	PCTUISSPYKBYNK-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(F)cc2)c(F)c1	43578256	MQXNAKMJSLMGJT-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
COc1cccc(C)c1-c1cccc(C(=O)O)c1	65336950	UVARBIBHVOPEJJ-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
N#Cc1ccc([C@@H](N)c2ccc(Cl)cc2)cc1	230457110	ZOMBTFIMEKGKFO-CQSZACIVSA-N	242.709	3.260	0	50	BGAA	
CC(C)Oc1ccc(Cl)c(F)c1F	261494340	VGRBACWRRWSBRG-UHFFFAOYSA-N	206.619	3.405	0	50	BGAA	
C[C@@]1(c2nc(-c3ccsn3)no2)CC=CCC1	333654444	FNRBRZQBRLHPTJ-GFCCVEGCSA-N	247.323	3.191	0	50	BGAA	
COc1ccc(-c2ccnn2C(C)C)c(OC)c1	426368177	DJELNSFINLUDSL-UHFFFAOYSA-N	246.310	3.148	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)C[C@@H](C)N1	757209902	GPQNZHQKCHCZEH-PXWWUCIGSA-N	243.354	3.320	0	50	BGAA	
O=C(Nc1ccc(Cl)cn1)c1cccs1	39968	QQYQSNYBWJLLOW-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
Cc1ccccc1C(=O)NC1CCCCC1	142909	MDXWMUYRRDYWKZ-UHFFFAOYSA-N	217.312	3.058	0	50	BGAA	
COC(=O)c1cccc(-c2cccc(F)c2)c1	1257856	BZPFNLXXJWJNAK-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	
C[C@@H](O)c1cccc(OCc2ccccc2)c1	2518257	TZTSJUPGQORXJB-GFCCVEGCSA-N	228.291	3.319	0	50	BGAA	in-vitro
CC(=O)c1cccc(-c2ccc(N)cc2)c1	2528957	UOTIYIKAUHGZPX-UHFFFAOYSA-N	211.264	3.138	0	50	BGAA	
O=C(NCc1cccc(Cl)c1)c1ccccc1	3562450	XAQLTIJQHIWVOV-UHFFFAOYSA-N	245.709	3.270	0	50	BGAA	
Cc1ccc(C)c(OCCN2CCCC2)c1C	5024194	QLWQVSJGDFJOER-UHFFFAOYSA-N	233.355	3.086	0	50	BGAA	
O=Cc1csc2ccc(Br)cc12	5177612	LQLMHAYNFMAEHI-UHFFFAOYSA-N	241.109	3.476	0	50	BGAA	
C[C@H](NC(=O)Nc1ccc(F)cc1)C(C)(C)C	6260247	OOICEELIBIVQRQ-VIFPVBQESA-N	238.306	3.382	0	50	BGAA	
O=Cc1cc(-c2ccc(F)cc2)ccc1O	16946428	LBEAOSHFAFGEBI-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
Cn1c(C(=O)O)cc2c(Cl)c(Cl)ccc21	215603383	HAGCLOLTFAMPKW-UHFFFAOYSA-N	244.077	3.183	0	50	BGAA	
Cc1sccc1-c1ccc(C(=O)O)o1	227808447	BAYMNASCOVLVCU-UHFFFAOYSA-N	208.238	3.015	0	50	BGAA	
O=C(Nc1ccccc1)[C@@H]1[C@H]2CCCC[C@H]21	238619238	VBYMQHDNZUYHLT-ITGUQSILSA-N	215.296	3.061	0	50	BGAA	
O=Cc1cc(Cl)c(Cl)c(OC(F)F)c1	263622891	BSVIJMLAABRQDH-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
FC1(F)CC(NCc2cccc(Cl)c2)C1	277364411	BAYSCAVAKDZOHL-UHFFFAOYSA-N	231.673	3.227	0	50	BGAA	
C=CC(=O)Nc1cccc2c(Cl)c(C)cnc12	1356523638	YGDZXLHFWWFZGR-UHFFFAOYSA-N	246.697	3.321	0	50	BGAA	
O=C(NC1CCCC1)c1ccccc1Cl	29530	CPNGSHJWSSUBEM-UHFFFAOYSA-N	223.703	3.012	0	50	BGAA	
O=C1CCCc2c1[nH]c1ccc(Cl)cc21	97316	PUQOGOYIOUCDPE-UHFFFAOYSA-N	219.671	3.340	0	50	BGAA	in-vitro
COc1ccc2cc(C(C)=O)ccc2c1	164714	GGWCZBGAIGGTDA-UHFFFAOYSA-N	200.237	3.051	0	50	BGAA	biogenic,in-vitro
O=C(Nc1ccc(O)cc1)c1ccc(Cl)cc1	410282	NBFVHUUXPNDPDO-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
CCOC(=O)NCc1ccc(Cl)c(Cl)c1	474084	JLLASOSUPCUGJQ-UHFFFAOYSA-N	248.109	3.240	0	50	BGAA	
CCCNC(=O)Nc1cccc(C(F)(F)F)c1	1640218	WCLMZUJFSPLCEQ-UHFFFAOYSA-N	246.232	3.237	0	50	BGAA	
CCOc1cccc(-c2ccc(C(=O)O)cc2)c1	2581011	XPDQGPUCKPVYNI-UHFFFAOYSA-N	242.274	3.451	0	50	BGAA	in-vitro
CC(C)(C)NC(=O)C12CC3CC(CC(C3)C1)C2	4156090	CAZCIXGLKLMISO-UHFFFAOYSA-N	235.371	3.118	0	50	BGAA	
CC[C@@H](C)NC(=O)c1cccc(OC(C)C)c1	6730261	NJEKUJXKEACKNC-LLVKDONJSA-N	235.327	3.002	0	50	BGAA	
Cc1ccc(NC(=O)NCCC(C)C)cc1F	13320200	VYPILPQLFYNHAT-UHFFFAOYSA-N	238.306	3.302	0	50	BGAA	
CCC(=O)c1ccc(OC(F)(F)F)cc1	37594147	OIEBTEWPPOJOGI-UHFFFAOYSA-N	218.174	3.178	0	50	BGAA	in-vitro
Oc1cc(-n2ncc3ccccc32)cc(F)c1F	65386375	JTZPTWRRBVMADE-UHFFFAOYSA-N	246.216	3.009	0	50	BGAA	
Cc1c(F)ccc(F)c1Br	66318955	AAHSKQLPLMAVDC-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	
CC(C)(C)c1ccc(OC[C@H](N)C2CC2)cc1	69082023	IFJFNLCBYSDDAK-AWEZNQCLSA-N	233.355	3.100	0	50	BGAA	
C[C@@H]1C=CC[C@@]23CCc4ccccc4[C@]12COC3	101139433	XVTDUMANZNBCJR-COXVUDFISA-N	240.346	3.483	0	50	BGAA	
CCC(C)(C)N[C@H]1CCCc2[nH]ccc21	725272968	WJTZMVLLRMJOBW-LBPRGKRZSA-N	206.333	3.170	0	50	BGAA	
Cc1ccc(NC(=O)C23CCCC2CCC3)cn1	1857527254	XQSJPIDMYFVUOM-UHFFFAOYSA-N	244.338	3.299	0	50	BGAA	
Cc1cc(C)nc(Nc2cccc(Cl)c2)n1	150106	RKPZIGCRKDLKCE-UHFFFAOYSA-N	233.702	3.490	0	50	BGAA	
C[C@@H]1CN(C)[C@H](C)c2c1oc1ccc(N)cc21	211503	QMKJMCYBXWJHIO-RKDXNWHRSA-N	230.311	3.125	0	50	BGAA	
COc1ccccc1-c1nc2ccccc2[nH]1	226019	JNFBDHNAZPBWTF-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	
O=C(/C=C/c1ccccc1)Nc1ccccc1F	443217	GFAVMCPSQILRPK-ZHACJKMWSA-N	241.265	3.478	0	50	BGAA	
Cc1ccc2nc([C@H](F)C(F)(F)F)[nH]c2c1	752005	HVTIUOGEPKJKSC-QMMMGPOBSA-N	232.180	3.444	0	50	BGAA	
CC(=O)c1ccc(NC(=O)[C@@H]2CC23CCC3)cc1	894367	GUZSCBUGHAUBIN-ZDUSSCGKSA-N	243.306	3.018	0	50	BGAA	
CCN(CC)CCCOc1ccc(C)cc1C	2494289	VPFAGHDUXYBKGM-UHFFFAOYSA-N	235.371	3.414	0	50	BGAA	
Cc1cccc(C(=O)N2[C@@H](C)CCC[C@H]2C)c1	18113849	TYGISFKQVIYHFA-BETUJISGSA-N	231.339	3.398	0	50	BGAA	
CCc1ccc(-c2cncc(C(=O)O)c2)cc1	36348772	LXBGKBZNILUXAS-UHFFFAOYSA-N	227.263	3.009	0	50	BGAA	in-vitro
C=C=C(C1(O)CCCCC1)[Si](C)(C)C	169828388	CIFWZZLKXHEJQC-UHFFFAOYSA-N	210.393	3.270	0	50	BGAA	
FCc1cc(F)cc(F)c1Br	1775955524	BAUROQYPIUNFRW-UHFFFAOYSA-N	225.007	3.197	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)c1ccc(OC)cc1	29563	HMCALWMAVYTOSL-ZDUSSCGKSA-N	247.338	3.100	0	50	BGAA	
O=C(CCc1ccccc1)Nc1cccc(F)c1	50335	RKAZOCPBHJZUJI-UHFFFAOYSA-N	243.281	3.397	0	50	BGAA	
Nc1nc(-c2ccccc2)cc(=S)s1	116050	PMCYYVHDPYDPOO-UHFFFAOYSA-N	220.322	3.122	0	50	BGAA	
Fc1ccccc1Cc1nc2ccccc2[nH]1	246844	NLKQUPPMKACILR-UHFFFAOYSA-N	226.254	3.293	0	50	BGAA	
O=C(Nc1cccc(F)c1)C1CCCCC1	383518	WYNSISYCPWQHHW-UHFFFAOYSA-N	221.275	3.345	0	50	BGAA	
c1ccc2cc(-c3ccncn3)ccc2c1	407458	GQTQWUPEUCZLBI-UHFFFAOYSA-N	206.248	3.297	0	50	BGAA	
C[C@H](CN(C)C)Oc1ccc2ccccc2c1	2518817	VPNHZLCKWXYDBR-GFCCVEGCSA-N	229.323	3.169	0	50	BGAA	
CCCCNCCCCOc1ccccc1F	2903247	KVTAKQSQWPVAGF-UHFFFAOYSA-N	239.334	3.374	0	50	BGAA	
CCCC[C@H](CC)CNCc1ccccn1	3127707	NXQKSYDDMDZBNG-ZDUSSCGKSA-N	220.360	3.388	0	50	BGAA	
CCCNC(=O)Nc1ccc(C(F)(F)F)cc1	6729330	UDHFCFSYQUQJLF-UHFFFAOYSA-N	246.232	3.237	0	50	BGAA	
Cc1ccccc1[C@H](N)c1cccs1	19093247	MRSYDWJTJQECBU-LBPRGKRZSA-N	203.310	3.105	0	50	BGAA	
O=C(O)c1ccc(C2CC2)c(Br)c1	39952469	YGSSCOWWLLABAH-UHFFFAOYSA-N	241.084	3.025	0	50	BGAA	
CCOc1ccccc1-c1cnc(N)c(C)c1	65395482	MAYYZMVVLGWTPL-UHFFFAOYSA-N	228.295	3.038	0	50	BGAA	
Cc1cccc(C(=O)C(C)(C)N2CCCC2)c1	91532519	DCRMJDUVZBCPRE-UHFFFAOYSA-N	231.339	3.052	0	50	BGAA	
C[C@H](c1ccccc1)[C@H]1CCCCCN1	235303175	RYPRWIHCYUTYSO-TZMCWYRMSA-N	203.329	3.322	0	50	BGAA	
O=C([C@@H]1[C@H]2CCC[C@H]21)N1CCC[C@H]2CCCC[C@H]21	245649960	JRZWIXQWIWPDQC-QMIVOQANSA-N	247.382	3.214	0	50	BGAA	
NCc1cc(OC(F)F)c(Cl)cc1Cl	263624346	PNHKGLVKSDMKEE-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
Cc1cc(F)ccc1NC(=O)c1ccccc1	301003	WLIIHTAATITOQE-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CC(=O)OCc1ccc(C(C)(C)C)cc1	392638	QSCOAHKJRIJKQZ-UHFFFAOYSA-N	206.285	3.047	0	50	BGAA	
CCN(CC)C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	1597852	NGDCMVHOVGGVIX-NEPJUHHUSA-N	223.360	3.093	0	50	BGAA	
C=COC(=O)CCOC[C@H](CC)CCCC	1598535	FDYRATMNGZMSCO-GFCCVEGCSA-N	228.332	3.296	0	50	BGAA	
Nc1cc(Br)c(Cl)cc1Cl	21304471	XOVRCEWAVBWIGX-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	
Nc1ccc(N2CCCCC2)cc1C(F)(F)F	22216594	ZFWRQDUMELCURK-UHFFFAOYSA-N	244.260	3.278	0	50	BGAA	
Cc1cccc(-n2ncc3c2CCCC3=O)c1C	97757560	SAPZGQLXLNCWPH-UHFFFAOYSA-N	240.306	3.008	0	50	BGAA	
O=Cc1c(Cl)ccc(OC(F)F)c1Cl	263623892	LPWADBFKWDLOLX-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
CCOC(=O)Cc1cc(C)c(Cl)cc1Cl	263624750	TWLVGDJGFSJKRC-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
COc1c(C)cc(-c2ncnc(C)c2C)cc1C	426475572	SANSICDYEBNMDX-UHFFFAOYSA-N	242.322	3.386	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@H](C)C[C@@H]1C	757216211	YXKAOYDFFNYIMB-BPYAMOTFSA-N	243.354	3.178	0	50	BGAA	
CCc1noc(NC(=O)CC(CC)CC)c1C	1529158411	BWTWDJZORVQOGT-UHFFFAOYSA-N	238.331	3.310	0	50	BGAA	
Cc1ccc(C(=O)NC2CCCCC2)cc1	123308	XMKXRGAYXMSAAW-UHFFFAOYSA-N	217.312	3.058	0	50	BGAA	biogenic
Cc1ccccc1-c1nc(-c2cccnc2)no1	238215	CRTXHVXRSFHBOV-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
CCC(CC)C(=O)NCc1ccc(Cl)cc1	453035	CKQGFHVXZLQORU-UHFFFAOYSA-N	239.746	3.392	0	50	BGAA	
O=Cc1c(F)cccc1Oc1ccccc1	2586036	AUPPVEMCDSSXCW-UHFFFAOYSA-N	216.211	3.431	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)Cc2ccccc2C)c1	7475931	CSHAZUCJNFLUFY-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)cc1	13745885	ANRBQMHVGXOLNO-VXGBXAGGSA-N	234.343	3.154	0	50	BGAA	
C[C@@H](C(=O)NC1CCCCC1)c1ccccc1	163524806	GGTWIOOOEDGVEZ-GFCCVEGCSA-N	231.339	3.239	0	50	BGAA	
Fc1cccc2[nH]cc(CC3CCOCC3)c12	255190179	VMEXQMQALWFATF-UHFFFAOYSA-N	233.286	3.276	0	50	BGAA	
C1=C(CN2CCC[C@@H](c3ncc[nH]3)C2)CCCC1	335575166	JSCDOFSOEMTFEG-CQSZACIVSA-N	245.370	3.090	0	50	BGAA	
Cc1nc(C)c(-c2ccc(-c3cc[nH]n3)cc2)[nH]1	426388603	XIVFGTRDGXSCIK-UHFFFAOYSA-N	238.294	3.084	0	50	BGAA	
C=CC(=O)N1CCC(c2ccc(F)cc2C)CC1	863971525	XEOVMNSYDJZURC-UHFFFAOYSA-N	247.313	3.026	0	50	BGAA	
FC(F)(F)c1ccc(-n2cccc2)cc1	112313	JFGOCJGHXODFKU-UHFFFAOYSA-N	211.186	3.496	0	50	BGAA	in-vitro
COC(=O)Nc1cc(Cl)cc(Cl)c1	128881	FRSRGACXHCLBTC-UHFFFAOYSA-N	220.055	3.172	0	50	BGAA	in-vitro
CC(C)N1C[C@H](C)[C@](O)(c2ccccc2)C[C@@H]1C	241557	SIPPYVOQXDDGOR-DZKIICNBSA-N	247.382	3.013	0	50	BGAA	
C[C@@H]1CCCC[C@H]1NC(=O)Nc1ccccc1	395840	JXVIIQLNUPXOII-DGCLKSJQSA-N	232.327	3.387	0	50	BGAA	in-vitro
c1ccc(-c2ccc(NC3CCCC3)nn2)cc1	759499	ZFNHVOTVVBRPOA-UHFFFAOYSA-N	239.322	3.498	0	50	BGAA	
CC[C@H](C)c1ccc2[nH]c(C)c(CCN)c2c1	1235031	VLOQYQXITQGPDY-JTQLQIEISA-N	230.355	3.491	0	50	BGAA	
Cc1c(C(=O)O)oc2c(Cl)cccc12	3131832	GIWYZUBCAKLCAJ-UHFFFAOYSA-N	210.616	3.093	0	50	BGAA	in-vitro
Fc1cccc2c(Br)ccnc12	19721456	XWZPEOLKMRCJFO-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
Cc1ccc(CN)c(O[C@H](C)CC(C)C)c1	51580733	QIVGGTZUHXVDAD-GFCCVEGCSA-N	221.344	3.267	0	50	BGAA	in-vitro
CN(C)c1nc(/C=C/C2CCCCC2)ncc1F	97775591	LWCZCMNNPLAFIX-CMDGGOBGSA-N	249.333	3.275	0	50	BGAA	
C[C@H](Nc1nccc(Cl)n1)c1ccccc1	165956831	DDEUEAYOTPLDPU-VIFPVBQESA-N	233.702	3.303	0	50	BGAA	
CN[C@H](C)Cc1cc2ccccc2s1	238324945	DWSHJGNBNZAVRQ-SECBINFHSA-N	205.326	3.052	0	50	BGAA	
Cc1ccccc1CC1(N[C@H]2CCSC2)CC1	534651136	OQQNFBNIORNAAP-AWEZNQCLSA-N	247.407	3.165	0	50	BGAA	
CC1CCN(C(=O)c2ccc(Cl)cc2)CC1	75749	LCCVBEBLQYNZHX-UHFFFAOYSA-N	237.730	3.212	0	50	BGAA	
C[C@H]1CN(C(C)(C)C)CC[C@]1(O)c1ccccc1	80863	BXLPAZLWXATNBH-XJKSGUPXSA-N	247.382	3.015	0	50	BGAA	
O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1	94062	VFDOKJVMHZUBTN-SDNWHVSQSA-N	249.269	3.031	0	50	BGAA	
Cc1cc(C)n(C(=O)Nc2cccc(Cl)c2)n1	283011	DAEAYASFVOZCFE-UHFFFAOYSA-N	249.701	3.234	0	50	BGAA	
CCCCOc1ccc(Cl)cc1C=O	2876037	UPHOZVPYIYHQPO-UHFFFAOYSA-N	212.676	3.331	0	50	BGAA	
CCCn1c(C2CC2)nc2ccccc21	4385566	YLZWRWNEWSFKHE-UHFFFAOYSA-N	200.285	3.324	0	50	BGAA	
c1ccc2c(c1)CCN(Cc1ccsc1)C2	4834361	NTCCXONJCGBKQG-UHFFFAOYSA-N	229.348	3.306	0	50	BGAA	
Clc1ccc2cc(Br)cnc2n1	12955599	KXSBJEOTLVRREX-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
FC(F)(F)c1nc2ccccc2c(=S)[nH]1	14134890	HEZGELKZXNHIEP-UHFFFAOYSA-N	230.214	3.311	0	50	BGAA	in-vitro
Clc1cc(Cl)c2c3c([nH]c2c1)CCNC3	34985412	BARUHFAXIXORGM-UHFFFAOYSA-N	241.121	3.120	0	50	BGAA	
CC(C)C(NC(=O)Nc1ccccc1)C(C)C	65362830	JINNPSDCZXWMJN-UHFFFAOYSA-N	234.343	3.489	0	50	BGAA	
CCc1cnc(/C=C/c2ccccc2)nc1	67967159	RYQMTNWUSZMYIC-CMDGGOBGSA-N	210.280	3.209	0	50	BGAA	
CC(C)c1noc([C@H](C)n2ccnc2C(C)C)n1	95382557	NPZQPUMDDKKYQZ-JTQLQIEISA-N	248.330	3.122	0	50	BGAA	
C1=CC[C@@]23C[C@H](O[C@@H]4CCCCO4)C[C@]2(C1)C3	257358692	VUQBOEWMKVXUTQ-TUVASFSCSA-N	234.339	3.419	0	50	BGAA	
COc1ccc(Cl)cc1-c1cnsc1	952984539	VRNYDMNKSCVGAQ-UHFFFAOYSA-N	225.700	3.472	0	50	BGAA	
C=CC(=O)Nc1ccc(-c2cccnc2)c(C)c1	1775996651	BSBVWNHHMNNOLJ-UHFFFAOYSA-N	238.290	3.182	0	50	BGAA	
Cc1ccccc1C(=O)N1CCCC[C@@H]1C	101442	LDSRBZAVERTFSJ-LBPRGKRZSA-N	217.312	3.010	0	50	BGAA	
CC(C)c1cc(C=O)cc(C(C)C)c1O	297726	WVGDLTQPAQUBMO-UHFFFAOYSA-N	206.285	3.452	0	50	BGAA	in-vivo
O=C(O)c1ccc(-c2cccs2)nc1Cl	350002	AVAOMYBVOCRWAW-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)o1	375228	YBISWKNCLVOFBM-NSHDSACASA-N	229.279	3.079	0	50	BGAA	
C[C@H]1CCCC[C@@H]1NC(=O)NC1CCCCC1	395829	ANYYUZRBKJKUKO-AAEUAGOBSA-N	238.375	3.197	0	50	BGAA	
CC(C)(Oc1cccc2ccccc12)C(=O)O	4196440	WGXRLJQIXNXFSY-UHFFFAOYSA-N	230.263	3.082	0	50	BGAA	in-vitro
COc1ccccc1CNc1cccc(C)n1	4205169	DBSWIBWEKIQDHW-UHFFFAOYSA-N	228.295	3.011	0	50	BGAA	
CCOC(=O)c1sc(C)nc1-c1ccccc1	4218483	UHLMXNFHHFDVPW-UHFFFAOYSA-N	247.319	3.295	0	50	BGAA	
FC(F)(F)c1ccc2[nH]c(Cl)nc2c1	5478896	CZQXWSPZVZKNRM-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	in-vitro
Clc1ccc(C2CCNCC2)cc1Cl	8699550	IREIFEVUVSLMAZ-UHFFFAOYSA-N	230.138	3.460	0	50	BGAA	
CC[C@H](C)NCc1ccc(OC)c(Cl)c1	20927981	CCYWSZOEHMLSJY-VIFPVBQESA-N	227.735	3.237	0	50	BGAA	
c1csc(CNc2ccc3[nH]ncc3c2)c1	23283026	QSQVTOQGFILKMN-UHFFFAOYSA-N	229.308	3.237	0	50	BGAA	
Nc1cc(-c2cc3ccccc3o2)ccn1	65399212	DOIVDRBFTDXFQA-UHFFFAOYSA-N	210.236	3.077	0	50	BGAA	
CC1(C)CCCc2cc(C(=O)O)sc21	86844519	VNYCLXIIPHNOSO-UHFFFAOYSA-N	210.298	3.060	0	50	BGAA	
Cc1cc(Cl)cc(/C=C/C(=O)O)c1Cl	263623891	LPUJCAKKWQIOGJ-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
Fc1cc(Cl)cc2ncnc(Cl)c12	669371522	CRAHGHOZVDBZMH-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	
Cc1c(N)c(C(F)(F)F)cc(Cl)c1F	1857783734	YNDFOUCNAIVFPX-UHFFFAOYSA-N	227.588	3.389	0	50	BGAA	
Cc1cc(C)n2nc(C)c(-c3ccccc3)c2n1	326937	KOCNNZCICBXQFP-UHFFFAOYSA-N	237.306	3.322	0	50	BGAA	
C/C(=C\C(=O)O)c1ccc(CC(C)C)cc1	395758	AJTXFXLQDWEDDG-PKNBQFBNSA-N	218.296	3.373	0	50	BGAA	
O=C(Nc1cccc(F)c1)OCc1ccco1	400177	ORBVRYJXCRVBHU-UHFFFAOYSA-N	235.214	3.167	0	50	BGAA	
CCc1nc2sc3c(c2c(=O)o1)CCCCC3	758811	ZSDMJKWDJDEKDH-UHFFFAOYSA-N	249.335	3.081	0	50	BGAA	
Cc1ccc2cc(Br)ccc2n1	2568096	SQRYQSKJZVQJAY-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CCCn1c([C@@H]2CCCO2)nc2ccccc21	4943179	GHXCKPVLCKUWAZ-ZDUSSCGKSA-N	230.311	3.298	0	50	BGAA	
CCC[C@H](C)NC(=O)c1ccc(C)c(C)c1	5794004	IMAVZCPZPWNTEE-LBPRGKRZSA-N	219.328	3.222	0	50	BGAA	
CCCOc1cccc(NC(=O)c2ccco2)c1	9780084	SHFFXOZRGUNYLI-UHFFFAOYSA-N	245.278	3.321	0	50	BGAA	
Nc1ccc(O)c(-c2nc3ccccc3s2)c1	13121814	UBRCBHVOYDSGKZ-UHFFFAOYSA-N	242.303	3.251	0	50	BGAA	aggregator
CCCCC(=O)Nc1c(C)cc(C)cc1C(=O)O	16623715	FELIZHXJFFPDGZ-UHFFFAOYSA-N	249.310	3.130	0	50	BGAA	
COc1cccc(-c2cccc(C(=O)O)c2)c1C	65336956	RLWANJVPXRFRFT-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
COc1cccc2ccn(C(=O)OC(C)(C)C)c12	65337244	DWMPQAJKVAOOOW-UHFFFAOYSA-N	247.294	3.433	0	50	BGAA	in-vitro
c1csc(CNc2nnc(C3CCC3)o2)c1	95358092	SPCCIFWLFNVZCL-UHFFFAOYSA-N	235.312	3.011	0	50	BGAA	
C[C@@H](c1ccc(-c2ccc(O)cn2)cc1)N(C)C	96180813	VVPAFQQUNDOJRD-NSHDSACASA-N	242.322	3.077	0	50	BGAA	
c1ccc2c(SCC3CC3)nncc2c1	129637673	FUGIFRMYSIPHNV-UHFFFAOYSA-N	216.309	3.132	0	50	BGAA	
O=C(c1ccccc1F)[C@H]1C[C@H]2CC[C@H]1C2	225413531	PTUQUROZVZXYQT-NHCYSSNCSA-N	218.271	3.445	0	50	BGAA	in-vitro
Cc1cc(NCc2sccc2Cl)nn1C	225611742	NSGOSFOXQVGGAB-UHFFFAOYSA-N	241.747	3.056	0	50	BGAA	
COc1cc(C)nc(CSCCC2CC2)c1	358667291	ZKYAWGGYGWLQNN-UHFFFAOYSA-N	237.368	3.432	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2ncccc2N)cc1	426658262	DHFMVSOPPNLTHK-LLVKDONJSA-N	242.322	3.428	0	50	BGAA	
Cc1sccc1-c1c(F)cncc1F	669379846	HPSBAOQCMQPTOK-UHFFFAOYSA-N	211.236	3.397	0	50	BGAA	
CCc1cnc(NC(=O)[C@H]2C=CCCC2)s1	2325734130	OHTVEKWTGIDXFC-VIFPVBQESA-N	236.340	3.000	0	50	BGAA	
CC(=O)N1c2ccccc2CCc2ccccc21	154525	QBSUAHGUFKVVTM-UHFFFAOYSA-N	237.302	3.470	0	50	BGAA	
CCc1c(C)nc2ccc(N)cc2c1Cl	291375	XFWWXVQLDGUZAT-UHFFFAOYSA-N	220.703	3.341	0	50	BGAA	
CCN(C(=O)C(C)(C)C)C1CCCCC1	399317	VVADQEKHCVFHHX-UHFFFAOYSA-N	211.349	3.214	0	50	BGAA	
CCC[C@@H](C)NC(=S)Nc1ccccc1	563045	MGZNNUPAFJANIH-SNVBAGLBSA-N	222.357	3.162	0	50	BGAA	
Cc1cc(Nc2ccc(N)c(C)c2)ccc1N	4007316	HWOZSEYWTHYHQP-UHFFFAOYSA-N	227.311	3.211	0	50	BGAA	
C/C(=C\c1ccccc1)CN1C[C@@H](C)O[C@H](C)C1	19634308	BZZRQIOENOHKAS-IVBVFNMWSA-N	245.366	3.199	0	50	BGAA	
Clc1ccc(Cc2nsc(Cl)n2)cc1	47218917	ZTHYORRNWREZMC-UHFFFAOYSA-N	245.134	3.436	0	50	BGAA	
C[C@@H]1CCC[C@H](N[C@H](C)CCCC(C)(C)O)C1	101564486	MIKSTOQTQHEXAR-MCIONIFRSA-N	241.419	3.484	0	50	BGAA	
CC(C)(C)C(=O)N1CCC[C@@]2(CC=CCC2)C1	114438872	CDCABEPIAYTYLE-HNNXBMFYSA-N	235.371	3.381	0	50	BGAA	
Clc1nc2c(c(-c3ccccc3)n1)CCC2	168606452	LLBSZCFWRDABLY-UHFFFAOYSA-N	230.698	3.286	0	50	BGAA	
Clc1ccc2cnc(Br)cc2n1	223648273	VJBBSXXUQOWEOI-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
O=Cc1ccc(-c2cccc(O)c2)cc1F	725269886	RGPWBYKIMQGLIS-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
COc1ccc(Cl)cc1-c1nncc(C)c1C	2356159776	QDCWGFHLBCRCBW-UHFFFAOYSA-N	248.713	3.422	0	50	BGAA	
c1ccc(Cc2nc(-c3ccccc3)no2)cc1	203225	GWKVQOWQODFWDQ-UHFFFAOYSA-N	236.274	3.327	0	50	BGAA	
Cc1cccc(C(=O)N[C@H](C)c2ccccc2)c1	299725	BLNZWUKUCJJHHA-CYBMUJFWSA-N	239.318	3.486	0	50	BGAA	
COC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C	1459371	LYGQRPUJGWFLDS-LLVKDONJSA-N	236.311	3.059	0	50	BGAA	
C=C1c2cc(CC)ccc2NC(=O)N1CC	2308210	FUULVWALZCUJRY-UHFFFAOYSA-N	216.284	3.087	0	50	BGAA	
CC[C@](C)(O)c1cccc2ccccc12	3125069	FDJZGGOPGHLDLC-AWEZNQCLSA-N	200.281	3.457	0	50	BGAA	
O=C(NC1CCCCCC1)c1cccc(F)c1	4738944	LHILGXDQJRAZMB-UHFFFAOYSA-N	235.302	3.278	0	50	BGAA	
CCCc1nnc(S)n1-c1ccc(C)c(C)c1	6391334	FQCHOVBUODRHPH-UHFFFAOYSA-N	247.367	3.125	0	50	BGAA	
CCCCc1nc2ccccc2n1[C@H](C)C(=O)O	6721111	LOBBYRADWOPOQD-SNVBAGLBSA-N	246.310	3.025	0	50	BGAA	
O=Cc1c(Cl)cccc1C(F)(F)F	16159629	ISAHRYXMBYDJEV-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
O=C(c1c(Cl)ccc(F)c1F)C(F)(F)F	40571867	IWHWOSKKZQCGGV-UHFFFAOYSA-N	244.546	3.363	0	50	BGAA	
Fc1cc2ncccc2cc1Br	66331909	IFIKQQLFQMNCRN-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
COc1ccc(-c2cc(F)ccc2C(C)=O)cn1	67894117	YJDBTIWHIZPITK-UHFFFAOYSA-N	245.253	3.099	0	50	BGAA	
CN(C)C(=O)c1cccc(-c2cccc(F)c2)c1	145592414	SYPLYFSNQRLPOF-UHFFFAOYSA-N	243.281	3.195	0	50	BGAA	
O=C(/C=C/c1ccccc1)OCC1CCC1	174533174	XNTJDOOLYFFUHQ-MDZDMXLPSA-N	216.280	3.043	0	50	BGAA	
C=CC(=O)N[C@H]1CCC[C@@H](c2ccccc2)CC1	1336682498	ULUPUCGCWOYMOG-CABCVRRESA-N	243.350	3.405	0	50	BGAA	
Cc1ccnc(NC(=O)Nc2ccc(F)cc2)c1	97869	BAQCVHSZAYPNKP-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
CC(C)=CC(=O)Nc1ccc(OC(C)C)cc1	145623	RXTFFYPXVZDQGA-UHFFFAOYSA-N	233.311	3.379	0	50	BGAA	
C[C@@H](CCc1cccc2ccccc12)C(=O)O	392922	OREYBNSOYMNZSG-NSHDSACASA-N	228.291	3.493	0	50	BGAA	
CCC(CC)C(=O)N1CCc2ccccc21	473855	KJCZTMOIUUTIIW-UHFFFAOYSA-N	217.312	3.012	0	50	BGAA	
CC(C)COc1ccc(Cl)cc1C=O	2558310	NPNJQVRTLWNEAT-UHFFFAOYSA-N	212.676	3.187	0	50	BGAA	in-vitro
Cn1c(-c2cccc3ccccc23)n[nH]c1=S	6557192	MGUHLOGXTXQTPS-UHFFFAOYSA-N	241.319	3.298	0	50	BGAA	
O=C(Nc1ccccc1)Oc1ccccc1	6658710	XVNKRRXASPPECQ-UHFFFAOYSA-N	213.236	3.298	0	50	BGAA	
Cc1ccc(C)c(NC(=O)Nc2cccnc2)c1	6715748	RCSKTXXMJJRLCC-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
O=C(c1ccc(Cl)s1)N1CCCCC1	16603778	QBVNWZZXEWMIDH-UHFFFAOYSA-N	229.732	3.028	0	50	BGAA	
FC(F)(F)c1nc(Cl)ccc1Cl	49581123	WDFIJOQQKFWJEA-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
CC1(C)CCc2cc(C=O)cc(C3CC3)c2O1	114356120	KRIVMKPDLUUNAF-UHFFFAOYSA-N	230.307	3.480	0	50	BGAA	
CC(C)[C@@H](C)O[C@H]1CC(=O)CCC1(C)C	725359546	DLYUSGLNWSAHPZ-PWSUYJOCSA-N	212.333	3.195	0	50	BGAA	
O=C(c1ccco1)N1CCCC2(CCCCC2)C1	249383	YOYRSDIZXSVIMH-UHFFFAOYSA-N	247.338	3.466	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)c1ccco1	290646	IAHWADGYENAEBC-UHFFFAOYSA-N	221.643	3.185	0	50	BGAA	
CCCCc1ccc(NC(=O)[C@@H]2CCCO2)cc1	2747171	HKKFJNCYNZHEHZ-AWEZNQCLSA-N	247.338	3.147	0	50	BGAA	
CC(=O)c1cccc(OC(=O)c2ccccc2)c1	2749702	CCDOBBGYSDWGKY-UHFFFAOYSA-N	240.258	3.108	0	50	BGAA	in-vitro
CC(C)(Cc1cccc2ccccc12)C(=O)O	49804129	OGXVFCMBJLXMMR-UHFFFAOYSA-N	228.291	3.493	0	50	BGAA	
CC(C)(C)OC(=O)Nc1ccc(S)cc1	83255319	YYZNFLXZNSOQHP-UHFFFAOYSA-N	225.313	3.322	0	50	BGAA	in-vitro
O=C1OC(c2ccccc2)=C2CCCC[C@@H]12	100974664	FPZDARHGLAFAEP-GFCCVEGCSA-N	214.264	3.145	0	50	BGAA	
Cc1cccc(C2=CSC3=NCCCN23)c1	102193949	QPIPLALUZCJZJW-UHFFFAOYSA-N	230.336	3.102	0	50	BGAA	
CC(C)c1c[nH]c2ncc(Br)cc12	146453924	IXAPSKJAKDXZQR-UHFFFAOYSA-N	239.116	3.449	0	50	BGAA	in-vitro
OCc1c(Cl)ccc(OC(F)F)c1Cl	263625137	XCMCHOQJLZEHTJ-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
CC1(C)[C@@H](CCN)[C@H]1c1cc2ccccc2[nH]1	334162948	IOFVCEYFMLOXMV-FZMZJTMJSA-N	228.339	3.256	0	50	BGAA	
C[C@H]1CCCCCN1C(=O)[C@@H]1[C@H]2CCCC[C@H]21	463456966	IUGBGGKAVYWKLP-IGQOVBAYSA-N	235.371	3.214	0	50	BGAA	
C[C@]12CN(CCC(F)(F)F)C[C@H]1[C@H]1C=C[C@@H]2C1	933703850	NQPANOOERWCLBJ-WHOHXGKFSA-N	245.288	3.083	0	50	BGAA	
Cc1[nH]nc(CNC(C)(C)CC(C)C)c1Cl	952874049	TZTBOHCPEQKBGD-UHFFFAOYSA-N	243.782	3.286	0	50	BGAA	
COc1nc2ccccc2cc1-c1ccncc1	1875243066	ODGBEIFKFMJJLV-UHFFFAOYSA-N	236.274	3.305	0	50	BGAA	
Nc1cc(-c2nc3ncccc3o2)ccc1Cl	38188	IQCMETHEMQYUIE-UHFFFAOYSA-N	245.669	3.125	0	50	BGAA	
CC(=O)n1cc(-c2ccncc2)c2ccccc21	80524	ASIRBRKGCGBLEP-UHFFFAOYSA-N	236.274	3.363	0	50	BGAA	aggregator
COc1ccc(CNc2ccccc2)cc1	227167	WRDZMZGYHVUYRU-UHFFFAOYSA-N	213.280	3.307	0	50	BGAA	in-vitro
COc1ccc2c(CCCC(=O)O)cccc2c1	393198	WRWORCWLPMTPKX-UHFFFAOYSA-N	244.290	3.256	0	50	BGAA	
Cc1ccc(C)c(C(=O)NC2CCCCC2)c1	514741	WICOEYFGSXHZNQ-UHFFFAOYSA-N	231.339	3.366	0	50	BGAA	
c1ccc(CCCC2CCNCC2)cc1	2164489	HASRFXGIJALRRB-UHFFFAOYSA-N	203.329	3.009	0	50	BGAA	in-vitro
FC(F)(F)c1cncc(C(F)(F)F)c1	2582045	RQEOYYWUVYZZLL-UHFFFAOYSA-N	215.096	3.119	0	50	BGAA	in-vitro
NC[C@@H]1CC2c3ccccc3C1c1ccccc12	4205253	UWARBRXWIXCVNO-OSSATUEASA-N	235.330	3.242	0	50	BGAA	
O=C(Nc1cccc(F)c1)N1CCCCCC1	6741224	ARTIUMHVYNDLSY-UHFFFAOYSA-N	236.290	3.234	0	50	BGAA	
C[C@@H](CN(C)C)Oc1ccc2ccccc2c1	8239705	VPNHZLCKWXYDBR-LBPRGKRZSA-N	229.323	3.169	0	50	BGAA	
CC[C@H](C)NC(=O)c1ccc(O[C@@H](C)CC)cc1	10290989	VMGCUMAXMPPSGD-RYUDHWBXSA-N	249.354	3.392	0	50	BGAA	
C[C@@H]1CCC[C@@H](NCc2ccco2)[C@@H]1C	19963177	GWSWIBYDUGAKRG-NQBHXWOUSA-N	207.317	3.194	0	50	BGAA	
CSc1ccc(Br)cc1F	38537104	YHOVMTICYSGLFD-UHFFFAOYSA-N	221.094	3.310	0	50	BGAA	in-vitro
O=C(O)c1ccc(F)c(-c2cccc(F)c2)c1	41660635	LUVPUUPVPKVUQI-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
Brc1ccnc(NC2CCCC2)c1	65337552	SJMMGOLQGWCCSC-UHFFFAOYSA-N	241.132	3.199	0	50	BGAA	
Fc1ccc(Cl)c(Br)c1F	66318884	MWGRISBCIIDKSD-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2cncnc2)cc1	67771873	WXZRBQIIZWGJBW-LLVKDONJSA-N	228.295	3.241	0	50	BGAA	
Clc1cccnc1OC1CCCCC1	95495950	BEQVRCPRRBVTJD-UHFFFAOYSA-N	211.692	3.447	0	50	BGAA	
CCc1noc(C)c1COc1cc(C)nc(C)c1	128211105	CWHYHCXANAWRBX-UHFFFAOYSA-N	246.310	3.136	0	50	BGAA	
O=C(c1ccccc1F)[C@@H]1C[C@H]2CC[C@H]1C2	225413487	PTUQUROZVZXYQT-JBLDHEPKSA-N	218.271	3.445	0	50	BGAA	in-vitro
C[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)C1	239203309	SCWAHLJGAQTDDE-SNPRPXQTSA-N	243.350	3.049	0	50	BGAA	
Fc1ccc(N[C@@H]2C[C@@H]3CCCC[C@@H]32)cn1	712455484	QEHPMQRYMZXLFP-ZMLRMANQSA-N	220.291	3.211	0	50	BGAA	
COc1ccc(CN2CC=C[C@H]2C(C)C)cc1F	824721354	GVLGZHVIDXSKSZ-AWEZNQCLSA-N	249.329	3.231	0	50	BGAA	
COc1ccccc1Oc1ccccc1C(=O)O	190807	LFWIIPSSDWXVJZ-UHFFFAOYSA-N	244.246	3.186	0	50	BGAA	
C=C1c2cc(C)cc(C)c2NC(=O)N1CC	450819	PDQZXXUDAXUJCA-UHFFFAOYSA-N	216.284	3.142	0	50	BGAA	
CCCN1CCC(N2CCCC[C@H]2CC)CC1	4989324	NBAUYNBZECNEEQ-CQSZACIVSA-N	238.419	3.125	0	50	BGAA	
C[C@H]1COC2(CCC(C(C)(C)C)CC2)O1	6037868	HFFWINBWALELJR-ZBOXLXRLSA-N	212.333	3.354	0	50	BGAA	
Cc1ccnc(SCc2ccccc2C)n1	6730318	LXGQHBCMWQLEQU-UHFFFAOYSA-N	230.336	3.386	0	50	BGAA	
Cc1cc(Cl)ccc1-n1cccc1C(=O)O	12404887	UWMRXOUAXPJTGJ-UHFFFAOYSA-N	235.670	3.137	0	50	BGAA	
Cc1cccc(NC(=S)NC2CCCCC2)n1	13521083	HDQNADUBSRAMAH-UHFFFAOYSA-N	249.383	3.009	0	50	BGAA	
Cc1cc(Cc2ccc(O)c(C)c2)ccc1O	38313437	MIFGCULLADMRTF-UHFFFAOYSA-N	228.291	3.305	0	50	BGAA	
CC(C)(Cc1ccccc1)NC(=O)c1ccco1	40620977	XVPZWQVIDKDLOK-UHFFFAOYSA-N	243.306	3.031	0	50	BGAA	
Cc1cccc2c(-c3ncnc4[nH]ccc34)c[nH]c12	97117550	CXDWKDJTERVXMY-UHFFFAOYSA-N	248.289	3.415	0	50	BGAA	
CC1(C)Cc2c(Br)cccc2[C@@H]1N	215245649	XYYMDOGUFQKORX-JTQLQIEISA-N	240.144	3.031	0	50	BGAA	
COc1c(Cl)cccc1C(F)(F)F	219424297	ZEGHPYMMRCPIGU-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	
CC(=O)c1cc(Br)cc2[nH]ccc12	575447741	QUWJTKCSBBYHRZ-UHFFFAOYSA-N	238.084	3.133	0	50	BGAA	
Fc1ccccc1-c1nnc2n1CCCCCC2	630952081	WBWFVWGLRSTTAY-UHFFFAOYSA-N	245.301	3.201	0	50	BGAA	
O=C(O)C[C@@H](c1ccc(Cl)cc1)n1cccc1	118433	MGUALOLWCRAAAA-LBPRGKRZSA-N	249.697	3.206	0	50	BGAA	
CCCc1cc(=O)oc2c(C)c(OCC)ccc12	186418	HLKQKDCBGNDXHS-UHFFFAOYSA-N	246.306	3.453	0	50	BGAA	
CC(C)(C)c1ccc([C@@H]2C[C@H]2C(=O)O)cc1	372163	ANPQFLQUUUWDQU-NWDGAFQWSA-N	218.296	3.172	0	50	BGAA	in-vitro
C[C@H]1CCC[C@H](NC(=O)Nc2ccccc2)C1	406694	UXGLJMTVLABYEG-AAEUAGOBSA-N	232.327	3.387	0	50	BGAA	
Cc1ccc([C@H](O)c2cc(F)cc(F)c2)cc1	4255206	KSGPZFYNIZMPSJ-AWEZNQCLSA-N	234.245	3.355	0	50	BGAA	
O=C1CCCc2nccc(-c3ccccc3)c21	4520115	QAHPTYCUEYJUGR-UHFFFAOYSA-N	223.275	3.268	0	50	BGAA	
CC(C)[C@@H](c1ccccc1)[C@H](O)C(C)C	4533189	AWBSAVHYHWDMPJ-UONOGXRCSA-N	206.329	3.443	0	50	BGAA	
Cc1cc(C)cc(NC(=O)Nc2ccccn2)c1	6714242	UOHNBLHSIJSEDX-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1ccc(NC(=O)OC(C)(C)C)cc1	7610498	GNUJXPOJGTXSEZ-UHFFFAOYSA-N	207.273	3.342	0	50	BGAA	in-vitro
CC[C@H](C)NC(=S)Nc1ccc(Cl)cc1	9187094	MZZQYGGPTYZPPV-QMMMGPOBSA-N	242.775	3.425	0	50	BGAA	
Cn1ncc2[nH]c(-c3ccc4ccccc4c3)nc21	19742338	NUMVLWKXLXHYQT-UHFFFAOYSA-N	248.289	3.117	0	50	BGAA	
CCOC(=O)c1ccc2nccc(Cl)c2c1	85221526	CAYFWSPVKHFLJV-UHFFFAOYSA-N	235.670	3.065	0	50	BGAA	
Cc1ccc(Cl)c(-c2cncc(C(=O)O)c2)c1	85477109	VPSAXDUHJIEXNM-UHFFFAOYSA-N	247.681	3.409	0	50	BGAA	in-vitro
c1ccc2c(c1)CCN1CC[C@H]3CCCC[C@]231	96026908	PERYEAFHHZTAKL-GDBMZVCRSA-N	227.351	3.334	0	50	BGAA	
CC(C)Oc1cc(C=O)ccc1Br	97758927	KIWQEBVSOZGCBZ-UHFFFAOYSA-N	243.100	3.049	0	50	BGAA	in-vitro
CCC(C)(C)Nc1cccc(NC(C)=O)c1	205206653	PVDMTELZFVTRSO-UHFFFAOYSA-N	220.316	3.246	0	50	BGAA	
CC1=CC[C@@H]2[C@H](C[C@@H]3C[C@@H]32)C(=O)[C@H]2CC=C[C@@H]12	257355570	BJTUNDNVJCZYIV-LZXPERKUSA-N	228.335	3.370	0	50	BGAA	
CC(C)[C@@H](C)O[C@@H]1CC(=O)CCC1(C)C	725359547	DLYUSGLNWSAHPZ-ZYHUDNBSSA-N	212.333	3.195	0	50	BGAA	
Cc1ccc(-c2ccc(CCC(=O)O)[nH]2)cc1	94843	WZGDOFSPJPDKIO-UHFFFAOYSA-N	229.279	3.007	0	50	BGAA	
O=C(Nc1ccccc1O)c1ccccc1Cl	410279	CREJOROTWXBIHJ-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
CC(C)CC(=O)OCCCc1ccccc1	1584052	LBNFCOMOXOWXCD-UHFFFAOYSA-N	220.312	3.209	0	50	BGAA	endogenous,in-man
COc1cc(Cl)cc(Cl)c1OC	2014169	BCWABYVHGXOWHB-UHFFFAOYSA-N	207.056	3.011	0	50	BGAA	
CC(=O)c1ccccc1OCc1ccccc1	2146958	ZJABPUSDYOXUKS-UHFFFAOYSA-N	226.275	3.468	0	50	BGAA	in-vitro
CCCCNCCCOc1cc(C)ccc1C	2901811	BDCPZKZZINWZJO-UHFFFAOYSA-N	235.371	3.462	0	50	BGAA	
Cc1c(Cl)cccc1-n1cccc1C=O	3676296	TVIWEMIBCRATKY-UHFFFAOYSA-N	219.671	3.252	0	50	BGAA	in-vitro
Cc1cccc(C[C@@H]2CCCCCN2)c1	3734990	BVEYMEOFVJRZEG-AWEZNQCLSA-N	203.329	3.070	0	50	BGAA	in-vitro
O=C(Nc1ccc(F)cc1)N1CCCCCC1	5049912	ZYAAQWLCLWECLV-UHFFFAOYSA-N	236.290	3.234	0	50	BGAA	
Cc1cc(C)c(CN2CCC(C)CC2)cc1C=O	19094330	TYJDZQJYPSMFSQ-UHFFFAOYSA-N	245.366	3.348	0	50	BGAA	
O=Cc1ccc(OCC2CCCCC2)cc1	19806585	ASGQXGSZHMUZGB-UHFFFAOYSA-N	218.296	3.458	0	50	BGAA	
c1cncc([C@@H]2CCCCN2Cc2ccoc2)c1	22023300	BNQYRWDBFLXBJA-HNNXBMFYSA-N	242.322	3.402	0	50	BGAA	
Cc1c2c(nc3ccccc13)O[C@H](C)CC2	98050697	ZENOEMLZOZWVRD-SECBINFHSA-N	213.280	3.257	0	50	BGAA	
C[C@H](c1ccccc1)[C@@H]1CCCCCN1	235258797	RYPRWIHCYUTYSO-OCCSQVGLSA-N	203.329	3.322	0	50	BGAA	
COCC1(CNCc2ccc(C)c(C)c2)CCC1	336795247	IXFBUEGUUHJSJB-UHFFFAOYSA-N	247.382	3.210	0	50	BGAA	
CC1(CCC(=O)Nc2ccc(Cl)nc2)CC1	929761909	YMEHSNCDGMPZDK-UHFFFAOYSA-N	238.718	3.254	0	50	BGAA	
Cc1cccc2c(-c3cnc4cnccn34)c[nH]c12	2356136537	YKBLOLXDDRJIDC-UHFFFAOYSA-N	248.289	3.186	0	50	BGAA	
Cc1cccc(NC(=O)N2CCCCC2)c1C	396527	OBGXFUHAVLXXCP-UHFFFAOYSA-N	232.327	3.321	0	50	BGAA	
O=Cc1ccccc1-c1ccc(F)cc1	1256939	QENDTDXVOJYDLG-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	in-vitro
CC(C)COc1ccc(Cl)cc1C(=O)O	2584146	ZNDALCPDRGWIFO-UHFFFAOYSA-N	228.675	3.073	0	50	BGAA	
O=C(Nc1ccc(F)c(Cl)c1)C1CCC1	3304190	PLUMIVMGVRLOOW-UHFFFAOYSA-N	227.666	3.218	0	50	BGAA	
N[C@@H](CCCCCC(=O)O)C1CCCCCC1	3684005	HVOJHPMRILDUQR-ZDUSSCGKSA-N	241.375	3.319	0	50	BGAA	
CC(C)Oc1ccc(C(=O)NC2CCCC2)cc1	6746822	CGJBXNHEPGNVSM-UHFFFAOYSA-N	247.338	3.146	0	50	BGAA	
CC[C@@H](C)c1ccccc1O[C@@H](C)C(=O)O	9877271	RVCUDPXOVJSAHP-ZJUUUORDSA-N	222.284	3.052	0	50	BGAA	in-vitro
CCC[C@H](C)NC(=O)c1ccc(OCC)c(C)c1	13582411	SUELNOFTIHZYBD-LBPRGKRZSA-N	249.354	3.312	0	50	BGAA	
N[C@H]1CCC[C@H]1c1ccc(Br)cc1	116757581	PUUZJUIUNQZUKQ-QWRGUYRKSA-N	240.144	3.044	0	50	BGAA	
C[C@H]1C[C@@H](C)C[C@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@H]1O	245329029	WXWPEVYZHHMRRH-QLMDPUNJSA-N	222.372	3.466	0	50	BGAA	
Cc1nc(CN2[C@H]3CCCC[C@H]3C[C@H]2C)oc1C	247695200	WOYDVHAKJVFTHE-SWHYSGLUSA-N	248.370	3.444	0	50	BGAA	
CCCC(=O)Nc1ccccc1C1(C)CC1	312455	ZHUGSVQDDRRBNX-UHFFFAOYSA-N	217.312	3.477	0	50	BGAA	
CC[C@H](C)NC(=O)c1cccc2ccccc12	409097	NEPILQGNEZHSKD-NSHDSACASA-N	227.307	3.368	0	50	BGAA	
CC(C)(C)C(=O)NC12CC3CC(CC(C3)C1)C2	4031973	ANZPVMVVRHNTHS-UHFFFAOYSA-N	235.371	3.118	0	50	BGAA	
Cc1ccccc1CNC(=O)Nc1ccccc1	18173761	ZIIIDTGQCNXRQJ-UHFFFAOYSA-N	240.306	3.317	0	50	BGAA	
Nc1cccc(-c2cc(F)cc(F)c2)c1	38068960	ZHFWIDMOBAWKST-UHFFFAOYSA-N	205.207	3.214	0	50	BGAA	
FC(F)(F)C(F)(F)c1cccnc1Cl	169677469	SXJAZKPSUJJAKV-UHFFFAOYSA-N	231.551	3.389	0	50	BGAA	
Oc1ccc2c(c1)C[C@H]1CCCC[C@@H]1C2	238706597	QSXZTSVXLUCUEB-GHMZBOCLSA-N	202.297	3.297	0	50	BGAA	
CC1(C)[C@@H]2CN(C(=O)C3(C4CCC4)CCC3)C[C@H]21	336285127	XZLQAWLPEJZPHU-CHWSQXEVSA-N	247.382	3.071	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1CCC[C@H]2C[C@H]21	585082923	SOBRSJBXBSGSNQ-QWHCGFSZSA-N	244.338	3.320	0	50	BGAA	
CC1=N[C@H](CC(C)C)C(=O)Nc2cccc(C)c21	1615058721	VBGHIDVIAACTDP-CYBMUJFWSA-N	244.338	3.171	0	50	BGAA	
COC(=O)Oc1cc(C)c(Cl)c(C)c1	409405	NYXASVBSPZUZKY-UHFFFAOYSA-N	214.648	3.102	0	50	BGAA	
CC[C@H](C)NC(=O)c1cccc(OC(C)C)c1	6730263	NJEKUJXKEACKNC-NSHDSACASA-N	235.327	3.002	0	50	BGAA	
Cc1cc(C=O)c(C)c(CN2CCC(C)CC2)c1	19094153	HLTWMUVQSBLTAF-UHFFFAOYSA-N	245.366	3.348	0	50	BGAA	
C[C@H]([C@@H](C(=O)O)c1ccccc1)C(F)(F)F	117566074	NAADEMIOIIBNMB-VXNVDRBHSA-N	232.201	3.053	0	50	BGAA	
CSC[C@H](C)N[C@H](C)c1ccsc1	133999712	ARNVVDWHHHAUQK-DTWKUNHWSA-N	215.387	3.150	0	50	BGAA	
FC(F)(F)c1ccc2nc(Cl)cn2c1	142904282	RDWNBEBIDGNGFK-UHFFFAOYSA-N	220.581	3.007	0	50	BGAA	in-vitro
Cc1cc(Cl)cc(Cl)c1/C=C/C(=O)O	263624858	UTGVKGFPRWMMLK-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
CC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccn1	648206370	QCVDTXMYJBUYJC-AVGNSLFASA-N	246.354	3.085	0	50	BGAA	
CC[C@H](NC(=O)CCC(C)C)c1ccc(C)cn1	670445966	JGRWBYIVKAKUFY-ZDUSSCGKSA-N	248.370	3.394	0	50	BGAA	
Cc1coc2c(Cl)cc(Cl)cc2c1=O	134615	PDDRNWBKVYJALI-UHFFFAOYSA-N	229.062	3.408	0	50	BGAA	
O=Cc1cc(C(F)(F)F)cc(Cl)c1F	157235	MSZTVIFIFJCNRQ-UHFFFAOYSA-N	226.556	3.310	0	50	BGAA	in-vitro
Cc1cc(C)c(NC(=O)c2ccco2)c(C)c1	341214	AHFXAWPTJSHKRP-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
CC1=CC(C)(C)N(C(N)=S)c2cc(C)ccc21	360611	SRXVETOUBHPGJN-UHFFFAOYSA-N	246.379	3.241	0	50	BGAA	
COc1ccccc1-c1ccccc1C(=O)O	1632815	DONMCRNZWAMEGC-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
Cc1ccc(Oc2cccc(CN)c2)cc1	2513116	YWHSTPLPNCWZNM-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	
CC(C)c1ccc(NC(=O)C(F)(F)F)cc1	3195837	FHCQQVLJOBPIRP-UHFFFAOYSA-N	231.217	3.311	0	50	BGAA	in-vitro
COc1ccc(CCN[C@@H]2CC[C@@H](C)C2)cc1	4986912	TYKCGNAKDVLBTF-TZMCWYRMSA-N	233.355	3.016	0	50	BGAA	
CC(C)CC[C@@H](c1ccccc1)N(C)CC(=O)O	63848360	FMXMJJWJCYTNIJ-AWEZNQCLSA-N	249.354	3.180	0	50	BGAA	
CC[C@H](C(=O)c1cccc(C)c1)N1CCCC1	97758821	GHUHXBRSGNJMFC-CQSZACIVSA-N	231.339	3.052	0	50	BGAA	in-vitro
CC(C)SCCC(=O)c1ccccc1	130801970	NPOXANPLEXKHRA-UHFFFAOYSA-N	208.326	3.401	0	50	BGAA	
CCC[C@@H]1OC[C@@]2(CO)[C@H](C)C=C(C)[C@H]1[C@H]2C	138240913	BCAUUCDDNVFSTF-MRLBHPIUSA-N	238.371	3.012	0	50	BGAA	
Cc1cc(O)c(F)c(OCC(C)C)c1F	261493713	HSKYZIFVGJMZNM-UHFFFAOYSA-N	216.227	3.014	0	50	BGAA	
CC(=O)c1cc(-c2nccn2C2CC2)cs1	1875248773	NSCRHRRJUHAGHD-UHFFFAOYSA-N	232.308	3.149	0	50	BGAA	
CC1=CCC[C@]2(C)CC[C@](O)(C(C)(C)O)C[C@H]12	2332918201	PGKALOHOTKMNJR-BPLDGKMQSA-N	238.371	3.035	0	50	BGAA	
CCC1CCC(N2C[C@H](C)O[C@H](C)C2)CC1	214755	FBMBVEQNCJMYIC-VTXSZYRJSA-N	225.376	3.064	0	50	BGAA	
c1ccc(NCCOc2ccccc2)cc1	1666621	SKGXKLYDSBFYPZ-UHFFFAOYSA-N	213.280	3.178	0	50	BGAA	
O=C(O)c1ccc(Cl)cc1C(F)(F)F	2243106	RKZXXMAQKMOZLK-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	in-vitro
C[C@@H](N)C(F)(c1ccccc1)c1ccccc1	2506628	FFNWFJOGQBZZQZ-GFCCVEGCSA-N	229.298	3.247	0	50	BGAA	
COc1cc(Cl)ccc1Br	2511693	CQGYLDZGJLVLMK-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	in-vitro
O=C1CCCCc2cc3c(cc21)CCC3	3053594	IVMLHHWCDMGIKP-UHFFFAOYSA-N	200.281	3.084	0	50	BGAA	
CCNCCOc1ccccc1-c1ccccc1	6703239	QBSQMYLAIVQWAN-UHFFFAOYSA-N	241.334	3.342	0	50	BGAA	
CCc1ccccc1NC(=O)c1ccc(N)cc1	7468095	XHGXSPTXAJXRGS-UHFFFAOYSA-N	240.306	3.084	0	50	BGAA	
CCOC(=O)c1ccc2nc(Cl)sc2c1	8729855	XISSCVMIXDMKLH-UHFFFAOYSA-N	241.699	3.126	0	50	BGAA	in-vitro
CC(C)c1ccc(C(=O)O)cc1Br	39951868	VLOPEDMMJXCNSH-UHFFFAOYSA-N	243.100	3.271	0	50	BGAA	in-vitro
CC(=O)c1cc(-c2ccc(F)cc2F)[nH]c1C	77370154	MINJYRVIPJGVKI-UHFFFAOYSA-N	235.233	3.471	0	50	BGAA	
Brc1ncoc1-c1ccccc1	95670837	BTLWIEARIJZPFS-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)NCc1ccc2cc[nH]c2c1	116674127	KMIBJNHODWQTOU-UHFFFAOYSA-N	246.310	3.193	0	50	BGAA	
O=C(O)Cc1ccccc1-c1cccs1	141007983	JJJRVOAWTBMQAR-UHFFFAOYSA-N	218.277	3.042	0	50	BGAA	
Cc1nc(C(=O)O[C@@H](C)CC(C)C)cs1	170621283	AOTXJSXKLWXRNO-QMMMGPOBSA-N	227.329	3.043	0	50	BGAA	
Fc1cc(F)c2c(c1Br)CCCN2	228181437	DLVDKNQYMLWUQQ-UHFFFAOYSA-N	248.070	3.085	0	50	BGAA	
Fc1cc(-c2cnc3cccnn23)ccc1Cl	426666916	AJWHMPNGGPFZFI-UHFFFAOYSA-N	247.660	3.189	0	50	BGAA	
CCc1cnc(C)nc1N1CCC[C@H](CC)CC1	1529094598	IERWMBXVRUBNML-ZDUSSCGKSA-N	247.386	3.364	0	50	BGAA	
CCOC(=O)c1c(-c2ccccc2)csc1N	117489	WYTHTMKMOSPACP-UHFFFAOYSA-N	247.319	3.174	0	50	BGAA	in-vitro
Fc1ccc(-c2ncc3ccccn23)cc1	126038	NDEMGEUZLQDRSE-UHFFFAOYSA-N	212.227	3.140	0	50	BGAA	
Cc1ccc2c(-c3csc(N)n3)c(C)[nH]c2c1	314075	FYKAKLAGWDHYEW-UHFFFAOYSA-N	243.335	3.490	0	50	BGAA	
CCc1ccc(-c2nc3ccccc3[nH]2)nc1	333128	XOVPZXXZORJJCG-UHFFFAOYSA-N	223.279	3.187	0	50	BGAA	
Cc1nc(NC2CCCCC2)nc2c1CCC2	1394121	VAEVSQWJVQJHHL-UHFFFAOYSA-N	231.343	3.018	0	50	BGAA	
O=C(O)c1ccc(Cl)c(C(F)(F)F)c1	2382125	PPHHAZOVVZBSCM-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	in-vitro
COc1ccc(Br)c2cccnc12	2534105	ZRQISUREPLHYIG-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
CCOC(=O)c1cccc(Cl)c1Cl	35101606	DFAQGXDIXJVBAQ-UHFFFAOYSA-N	219.067	3.170	0	50	BGAA	
COc1ccc(-c2ccc(C(=O)O)cc2F)cc1	43578259	QKIRDCPNZXELCV-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CCn1ncc2c(C)cc(Br)cc21	96379365	QCLGZGMRTZKFIG-UHFFFAOYSA-N	239.116	3.127	0	50	BGAA	
C[C@H]1C=CC[C@]23CCc4ccccc4[C@@]12C(=O)C3	101139475	YCYIYMHBQASZBV-JCURWCKSSA-N	238.330	3.426	0	50	BGAA	
C[C@@H](Nc1ncncc1Cl)c1ccsc1	163610679	REZHRQYQRQDAPP-SSDOTTSWSA-N	239.731	3.365	0	50	BGAA	
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@H]1C	241837473	SKKKLKCFFQGVHX-NDBYEHHHSA-N	223.360	3.118	0	50	BGAA	
CC1=C(c2nc(-c3cncc(C)c3)no2)CCC1	329567628	LGEMMHJZMIAUSG-UHFFFAOYSA-N	241.294	3.397	0	50	BGAA	
Cc1cccc2cc(-c3ccncc3N)cnc12	426501720	FWCBOWIYDDHJNX-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
Cc1cc(C)n(-c2cc(C)c3ccccc3n2)n1	81263	KKPBXAJPJDFRRM-UHFFFAOYSA-N	237.306	3.346	0	50	BGAA	
COc1ccc(Oc2ccccc2C=O)cc1	167434	ZPGJUBFCROCTOT-UHFFFAOYSA-N	228.247	3.300	0	50	BGAA	in-vitro
CCn1c(CCC2CCCCC2)n[nH]c1=S	2522260	SHDJEDZJMWZKNV-UHFFFAOYSA-N	239.388	3.473	0	50	BGAA	
CC[C@H](C)NCCCOc1cc(C)ccc1C	2823328	IQKUNPPEPISLLY-AWEZNQCLSA-N	235.371	3.460	0	50	BGAA	
O=C(O)c1cc2c(s1)CCCCCC2	3887524	XKWUEZYMRWQSOI-UHFFFAOYSA-N	210.298	3.105	0	50	BGAA	in-vitro
Cc1ccc(-c2noc(-c3cccnc3)n2)cc1	6701371	LQTKEDYOUUXKRM-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
CC(C)CC[C@H](C)NCCC1(O)CCCC1	32598423	KNVQRGVTJVCUEP-ZDUSSCGKSA-N	227.392	3.096	0	50	BGAA	
CCCNC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2	100471518	TWHPOGWZDPMZCO-YKQCJFHZSA-N	235.371	3.119	0	50	BGAA	
CC(=O)c1ccc(Oc2ccccc2)cn1	148025835	DPPVGRARRCUMGI-UHFFFAOYSA-N	213.236	3.077	0	50	BGAA	
C[C@H]1CC(C)(C)Nc2c(C(=O)O)cc(F)cc21	253495994	YMZFNVJSXLUNSN-ZETCQYMHSA-N	237.274	3.222	0	50	BGAA	
Fc1cccnc1-c1nccn1[C@H]1C=CCCC1	1875246258	CSHGQHPXQVDHGT-NSHDSACASA-N	243.285	3.365	0	50	BGAA	
CC(=O)c1sc(-c2cccs2)nc1C	121273	GRYWITIQEPSTMV-UHFFFAOYSA-N	223.322	3.383	0	50	BGAA	
CN(C)C(=O)c1ccccc1-c1ccccc1	618304	JGADRNOECJQRCF-UHFFFAOYSA-N	225.291	3.055	0	50	BGAA	
Cc1cccc(CC(=O)Nc2ccccc2C)c1	6742521	QKIGZYABPWVHFI-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
c1c[nH]c(-c2ccc(CN3CCCCC3)s2)n1	67654148	HYISDEGWIBQINY-UHFFFAOYSA-N	247.367	3.124	0	50	BGAA	
Fc1ccnc2cc(Br)ccc12	79065337	UYRGWTKQSMOJAZ-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
Cc1nccc2cc(Br)ccc12	95616448	VVPVVAXYQGMUEU-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Nc1cc(Cl)c(Cl)c(Br)c1	226316245	SUTBXHPATPQJMZ-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	
Fc1cccc2[nH]cc([C@@H]3CCCOC3)c12	255190330	WMMNWMAQBAFXPD-SECBINFHSA-N	219.259	3.201	0	50	BGAA	
Nc1ncc(Cc2cccc3ccccc23)s1	63298	WKKWSBMLQGKXKT-UHFFFAOYSA-N	240.331	3.469	0	50	BGAA	
Nc1ccc(F)c(-c2nc3ccccc3o2)c1	170375	GSPQMNYKHHIKRO-UHFFFAOYSA-N	228.226	3.216	0	50	BGAA	in-vitro
CCc1nc(C)cc(N)c1OCc1ccccc1	198551	HWURPHFDYPOXCV-UHFFFAOYSA-N	242.322	3.114	0	50	BGAA	
O=C(Cc1ccc(F)cc1)c1ccccc1	1670875	CWYRBOMWOQXYFZ-UHFFFAOYSA-N	214.239	3.251	0	50	BGAA	in-vitro
CCC(=O)c1ccc(F)c(Br)c1	2512394	IZSXDWBFACKNSW-UHFFFAOYSA-N	231.064	3.181	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)c2cc(C)oc2C)cc1	3263638	IZVYTCFLWZHTGN-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
COc1cccc2c1N(C(C)=O)C(C)(C)C=C2C	10157726	ZJNHKLBWQKBABL-UHFFFAOYSA-N	245.322	3.244	0	50	BGAA	biogenic
CC(C)c1ccc([C@@H](C)CC(=O)O)cc1	11628742	YGRKCYCSSBZHGL-JTQLQIEISA-N	206.285	3.388	0	50	BGAA	in-vitro
COc1ccc(-c2ccccc2)cc1O	34286453	HKJUJKFXUPMEKB-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	in-vitro
C[C@@H](Nc1ccc2[nH]ncc2c1)[C@@H]1CC1(C)C	225611373	LZSZXQLJOSPGEV-SKDRFNHKSA-N	229.327	3.409	0	50	BGAA	
CCCCOc1ccc(Cl)c(O)c1	238239549	WBFAEJVAJIUQEJ-UHFFFAOYSA-N	200.665	3.225	0	50	BGAA	
O=C(NC1CCCCCC1)NC1CCCCC1	376044	UNJJKYXFZFSKNO-UHFFFAOYSA-N	238.375	3.341	0	50	BGAA	
Cc1ccc(C(=O)NC2CCCC2)c(Cl)c1	458281	MWJVTRTYGROWRI-UHFFFAOYSA-N	237.730	3.321	0	50	BGAA	
COc1ccc(Oc2ccccc2C(=O)O)cc1	1865385	WMNNWPSQMMOCGQ-UHFFFAOYSA-N	244.246	3.186	0	50	BGAA	in-vitro
c1ccc(COc2ccc3[nH]ncc3c2)cc1	2547982	INFXNBBPBLSPDV-UHFFFAOYSA-N	224.263	3.142	0	50	BGAA	in-vitro
CC(=O)c1cc(Cl)cc(Cl)c1F	2585412	LVVYERCKCGWONQ-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	in-vitro
CCCCC(=O)NCc1ccc(Cl)cc1	2774438	SAISNJANQMWCOT-UHFFFAOYSA-N	225.719	3.146	0	50	BGAA	
Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1	3877612	JVJWJUQLRDIVJV-UHFFFAOYSA-N	234.368	3.193	0	50	BGAA	in-vitro
S=c1[nH]cc(-c2ccc(Cl)cc2)[nH]1	4693638	FXPJQESWXQDJOW-UHFFFAOYSA-N	210.689	3.393	0	50	BGAA	
Fc1ccc(CN2CCCCCC2)c(F)c1	4977749	LHQOJCUAIOQBLE-UHFFFAOYSA-N	225.282	3.341	0	50	BGAA	
O=C(O)C[C@H](C1CCCCC1)n1cccc1	5764032	MIDDKVUHRANSGU-GFCCVEGCSA-N	221.300	3.084	0	50	BGAA	
CCc1ccc(CNc2ccccn2)cc1	6702508	VRUTZKCXTJQMOT-UHFFFAOYSA-N	212.296	3.256	0	50	BGAA	
COc1cccc(C(=O)NCC2CCCCC2)c1	6897955	DTDUGHUNJSIURA-UHFFFAOYSA-N	247.338	3.005	0	50	BGAA	
Cc1ccc(C(=O)Nc2ncc(C)s2)s1	7978860	MKZWIGWOTWLTAQ-UHFFFAOYSA-N	238.337	3.074	0	50	BGAA	
C1=C[C@H]2C[C@@H]1C[C@H]2CCn1ccnc1C1CC1	71764918	PJINWLSUWWLWNF-KWCYVHTRSA-N	228.339	3.363	0	50	BGAA	
CCC(=O)c1ccc(Br)cc1F	71863812	VAWRVSQLVIYZRK-UHFFFAOYSA-N	231.064	3.181	0	50	BGAA	in-vitro
CC1=CC(C)(C)N(C)c2ccc(C(=O)O)cc21	72417499	OCWMUUFMXHMHOC-UHFFFAOYSA-N	231.295	3.017	0	50	BGAA	
Cc1cccc(NCc2ccncc2)c1F	132529990	HJGLUIVUYPEMRM-UHFFFAOYSA-N	216.259	3.141	0	50	BGAA	
Cn1ccc2c(CN3C[C@@H]4C[C@]4(C)C3)cccc21	1772815698	SYDVMQJWEIHUQX-XJKSGUPXSA-N	240.350	3.020	0	50	BGAA	
Cc1cc(C)nc(Sc2ccccc2)n1	128699	IARGOCVSIPNAQQ-UHFFFAOYSA-N	216.309	3.245	0	50	BGAA	
COc1ccc(/C=C/c2ccc(N)cc2)cc1	236813	FUKHOQPXEPBRFC-NSCUHMNNSA-N	225.291	3.448	0	50	BGAA	in-vitro
CCOC(=O)Nc1cc(Cl)ccc1C	396503	FKJCSEQGMDKMPL-UHFFFAOYSA-N	213.664	3.217	0	50	BGAA	
CC(C)(C)CC(=O)n1c(=O)sc2ccccc21	404903	OLFFBXZRDJGXAB-UHFFFAOYSA-N	249.335	3.139	0	50	BGAA	
CC(=O)Nc1c(Cl)oc2ccccc12	4413121	QYOQFUJUEHRRNI-UHFFFAOYSA-N	209.632	3.045	0	50	BGAA	
CCOC(=O)c1cc(-c2ccccc2)oc1C	38524818	GFYBATGIZAOPJC-UHFFFAOYSA-N	230.263	3.432	0	50	BGAA	
F/C(Br)=C(/F)C(F)(F)F	64220196	LNSBXPNZJPZBQZ-OWOJBTEDSA-N	210.927	3.052	0	50	BGAA	
COc1cncc(-c2ccc(C)c(F)c2)c1	82046477	UMVRMOLOZXDCHL-UHFFFAOYSA-N	217.243	3.205	0	50	BGAA	in-vitro
COc1cc(Cl)cc([C@H]2CCCCN2)c1	216191713	AJKXUQNRRZGJRE-GFCCVEGCSA-N	225.719	3.163	0	50	BGAA	
Cc1cnc(-c2noc([C@H]3CC=CCC3)n2)s1	333758768	ZHCXTISWMXMBLO-VIFPVBQESA-N	247.323	3.325	0	50	BGAA	
CCc1nc2ccccc2n1CC(C)C	510396	JRDFEESSDXTPJG-UHFFFAOYSA-N	202.301	3.255	0	50	BGAA	
c1ccc(CCNc2nc3ccccc3[nH]2)cc1	513006	OWETVOGOOABRTJ-UHFFFAOYSA-N	237.306	3.218	0	50	BGAA	
O=C(Nc1cccc(O)c1)c1ccc(Cl)cc1	2895898	WIZMZFHGYLOPPW-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
Cc1ccc2c(C)c(C(=O)O)oc2c1C	4502658	VJKQDNBXKMSKKV-UHFFFAOYSA-N	204.225	3.056	0	50	BGAA	
CCc1ccc(NC(=O)Nc2ccccn2)cc1	6715567	BDCOTEDOMLGKIF-UHFFFAOYSA-N	241.294	3.288	0	50	BGAA	
N=C(S)Nc1cc(Cl)cc(Cl)c1	13659170	BNJARXOEVLYKDN-UHFFFAOYSA-N	221.112	3.270	0	50	BGAA	in-vitro
CCCc1nc2c(N)nc3ccccc3c2s1	40843022	NFYMGJSUKCDVJR-UHFFFAOYSA-N	243.335	3.379	0	50	BGAA	in-vitro
C[C@H](NC(=O)C1CCCC1)c1ccc(F)cc1	49930108	KFKHNBQWBLMNAT-JTQLQIEISA-N	235.302	3.193	0	50	BGAA	
Cc1cc(-c2cccc3c2CCNC3)ccc1O	71776327	FSFNIABSGXQVSU-UHFFFAOYSA-N	239.318	3.013	0	50	BGAA	
C[C@H](N[C@H]1CCC[C@@H](C2CC2)C1)c1cnccn1	221707759	JSFOACWPGZYKDG-YUTCNCBUSA-N	245.370	3.096	0	50	BGAA	
Fc1cccc2c([C@@H]3CCCOC3)c[nH]c12	255188380	JQIWFJKVLCVHTE-SECBINFHSA-N	219.259	3.201	0	50	BGAA	
Fc1ccnc2c(C(F)(F)F)cccc12	382789319	KDLSZRYSQTUIMP-UHFFFAOYSA-N	215.149	3.393	0	50	BGAA	
CCCc1ncc(-c2cc(OC)ccc2OC)[nH]1	426563441	MSZQGKYVRYZJNA-UHFFFAOYSA-N	246.310	3.046	0	50	BGAA	
C[C@@H]1CCCCCN1C(=O)C1[C@H]2CCCC[C@H]12	463456965	IUGBGGKAVYWKLP-AGIUHOORSA-N	235.371	3.214	0	50	BGAA	
Cc1cc(C)c2[nH]c3c(c2c1)CCCC3=O	314548	WQRKPWGGBANMOX-UHFFFAOYSA-N	213.280	3.304	0	50	BGAA	in-vitro
CC(C)NC(=O)Oc1cccc(Cl)c1Cl	401989	BSTONAPWTBRELA-UHFFFAOYSA-N	248.109	3.490	0	50	BGAA	
Cc1cccc(-n2nc(C(C)(C)C)cc2N)c1	2527257	YDYDGSYHOOCUPO-UHFFFAOYSA-N	229.327	3.060	0	50	BGAA	in-vitro
O=C(O)/C=C/c1cc(Cl)cc(Cl)c1	2556123	HJKSYRZNDJQTJQ-OWOJBTEDSA-N	217.051	3.091	0	50	BGAA	in-vitro
CC1CCN(C[C@H](C)C(=O)c2ccccc2)CC1	3684427	WCUNKLPJSIFWCQ-AWEZNQCLSA-N	245.366	3.237	0	50	BGAA	
CCC(=O)Nc1cccc(OCCC(C)C)c1	8723233	NUVIKPQRPYQCMK-UHFFFAOYSA-N	235.327	3.460	0	50	BGAA	
CCCCc1c(C)[nH]c2ccccc2c1=O	8738294	SAPBEXPMVFDOLY-UHFFFAOYSA-N	215.296	3.179	0	50	BGAA	biogenic
C[C@H]1CC(C)(C)N(C)c2ccc(C=O)cc21	34561641	YFSBNVZQFZCCTP-JTQLQIEISA-N	217.312	3.221	0	50	BGAA	
CCCn1cnc2cc(Br)ccc21	40456650	STSGZOPADMCOGE-UHFFFAOYSA-N	239.116	3.209	0	50	BGAA	in-vitro
Brc1cccc2c1CCCC2	49590251	WDNLCUAIHSXPBR-UHFFFAOYSA-N	211.102	3.328	0	50	BGAA	in-vitro
CC[C@@H](NC(=O)C(C)(C)C)c1ccc(OC)cc1	65590931	GIUMJOHCULADMP-CYBMUJFWSA-N	249.354	3.309	0	50	BGAA	
CC1(C)C[C@@]1(Cl)[S@](=O)c1ccccc1	95627057	LDYHZLISFHJPKZ-RISCZKNCSA-N	228.744	3.159	0	50	BGAA	
Cc1cc(O)c(-c2ccno2)cc1Cl	100392433	UTQSNRFGRKTOHC-UHFFFAOYSA-N	209.632	3.009	0	50	BGAA	in-vitro
CCOC(=O)Nc1c(CC)cccc1CC	397365	LZIGLLZNFIPKDI-UHFFFAOYSA-N	221.300	3.380	0	50	BGAA	
COc1cccc([C@@H](O)c2ccc(C)cc2)c1	4267969	QPKHKSGBPXFYFS-HNNXBMFYSA-N	228.291	3.085	0	50	BGAA	
Cc1ccc(C(C)C)c(OCCn2ccnc2)c1	4810529	UYOOUURRCINJKP-UHFFFAOYSA-N	244.338	3.394	0	50	BGAA	
Brc1cc2cnccc2s1	66347849	VIKVIIMLBSNVHM-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Cc1cc2ncccc2cc1Br	82049588	NMGWSJBVVZOOST-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
COc1cc(Cl)cc(OC(F)(F)F)c1	90411503	UYIOVXWUYKWPBY-UHFFFAOYSA-N	226.581	3.247	0	50	BGAA	
Cc1ccc(NC(=O)C2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1	101655748	BVMNGBCXLDPFQF-IMIFBBOLSA-N	241.334	3.226	0	50	BGAA	
O=Cc1ccc(OC(F)(F)C(F)(F)F)cc1	196461186	KIRMPOFNASULNR-UHFFFAOYSA-N	240.127	3.033	0	50	BGAA	
CS[C@@H]1CCC[C@@H](N[C@H]2CCCSC2)C1	300358530	IASYHQUOWUOGQX-GRYCIOLGSA-N	245.457	3.146	0	50	BGAA	
COc1ccc(CN2CCC[C@@H]2C2CC2)cc1F	363385088	UAVUYJHSXSWRNH-CQSZACIVSA-N	249.329	3.209	0	50	BGAA	
CCO[C@@H](C)c1ccc(-c2nccn2C)cc1	426359084	PBDCKHJFCSDDLI-NSHDSACASA-N	230.311	3.185	0	50	BGAA	
O=C(c1cccs1)c1c[nH]c2ccccc12	578876	BVOLLNOZJTUTPD-UHFFFAOYSA-N	227.288	3.460	0	50	BGAA	
O=C(O)c1ccc(NC2CCCCC2)cc1	938938	QADQJGKSFQRUSS-UHFFFAOYSA-N	219.284	3.129	0	50	BGAA	
CCOc1ccc2c3c(c(=O)oc2c1)CCCC3	2476026	NCCIWUHWXXTEKH-UHFFFAOYSA-N	244.290	3.071	0	50	BGAA	biogenic
Cc1ccc(C)c(OCCCN2CCCC2)c1	2499454	UMTZUYYGPAQGFO-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
O=C(O)C[C@@H](C1CCCCC1)n1cccc1	5764037	MIDDKVUHRANSGU-LBPRGKRZSA-N	221.300	3.084	0	50	BGAA	
CCCCSc1nnc2[nH]c3ccccc3n12	6856735	KMUFTTSBHZHAFN-UHFFFAOYSA-N	246.339	3.103	0	50	BGAA	
CCCN1Cc2cc(OC)ccc2O[C@H](CC)C1	12456554	UNRVHXOMZRBWQF-CYBMUJFWSA-N	249.354	3.078	0	50	BGAA	
CCN(CC)CCN(C)C[C@@H](C)c1ccccc1	22027653	OJPKDSRNKXVSGR-OAHLLOKOSA-N	248.414	3.064	0	50	BGAA	
CC1(O)c2ccccc2C=Cc2ccccc21	39186750	KLQHVNZBDPYFDJ-UHFFFAOYSA-N	222.287	3.426	0	50	BGAA	
N[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F	42684188	MSVVDWREITXLOD-ZETCQYMHSA-N	243.150	3.268	0	50	BGAA	in-vitro
CCCC1(CN2Cc3ncccc3C2=O)CCC1	65394298	FJHXTXARNVERER-UHFFFAOYSA-N	244.338	3.008	0	50	BGAA	
CCNC(=O)c1cc2c(ccc3ccccc32)o1	72431397	UPKRNPFECNUICV-UHFFFAOYSA-N	239.274	3.336	0	50	BGAA	
CCCOc1cc(F)ccc1Br	74937754	UYIYJCJNTNUSBK-UHFFFAOYSA-N	233.080	3.377	0	50	BGAA	in-vitro
Cc1cccc(OCCc2ncccc2O)c1C	92077918	GGAJSUUQAXDSOT-UHFFFAOYSA-N	243.306	3.026	0	50	BGAA	
Cc1cnc(CN[C@@H]2CCCCC2(C)C)o1	119950224	CWRLSHJPWVJZJJ-LLVKDONJSA-N	222.332	3.041	0	50	BGAA	
O=C(O)[C@H]1CC=C(c2ccc(F)cc2)CC1	145159366	YZFUTZKSYPKHLX-NSHDSACASA-N	220.243	3.094	0	50	BGAA	
O=Cc1ccc(Oc2ccc(Cl)cc2)cn1	225286544	NRPZYKQOODWNPQ-UHFFFAOYSA-N	233.654	3.340	0	50	BGAA	
O=C(O)Cc1cccc(-c2cc(F)ccc2F)c1	313554149	XLSCMJFLEPSYPJ-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	
CCCC(CCC)[S@](=O)CCOC(C)C	747448104	ISTWADXPCTVNIM-OAHLLOKOSA-N	234.405	3.129	0	50	BGAA	
COc1ccc(-c2cc3ncccc3s2)nc1	1875340198	QBCXHWKYRVEWQM-UHFFFAOYSA-N	242.303	3.367	0	50	BGAA	
C=CC(=O)N[C@@H]1CCC[C@@H]1CCc1ccccc1	1875376356	UENRUMDWVWKEJI-HUUCEWRRSA-N	243.350	3.090	0	50	BGAA	
CCc1cc(-c2cnn(CC)c2C)ccc1O	2100534419	HINHOXWTGUWOJY-UHFFFAOYSA-N	230.311	3.146	0	50	BGAA	
CC(C)ONC(=O)Nc1cccc2ccccc12	37900	YSGLBNFOVSAHJB-UHFFFAOYSA-N	244.294	3.301	0	50	BGAA	
C[C@H](NC(=S)c1cccnc1)c1ccccc1	323081	ITIDZIVSEKFVCE-NSHDSACASA-N	242.347	3.108	0	50	BGAA	
O=C(CCCc1ccccc1)Nc1cccnc1	363274	QSVRQOONLYSFGC-UHFFFAOYSA-N	240.306	3.043	0	50	BGAA	
CCCCOC(=O)Nc1cccc(C(C)=O)c1	1908395	PXQOJTKHDSSYQL-UHFFFAOYSA-N	235.283	3.238	0	50	BGAA	
O=C(c1ccc(F)c(Cl)c1)C(F)(F)F	2378580	DIJLIJGFYSXFKS-UHFFFAOYSA-N	226.556	3.224	0	50	BGAA	
O=C(Cc1ccccc1)c1cccc(F)c1	2392932	YCSLTCUBFAFEGB-UHFFFAOYSA-N	214.239	3.251	0	50	BGAA	
CC[C@@H](C)N(C(=O)c1ccco1)[C@H](C)CC	2772385	OQKUNEVEBXTPQE-GHMZBOCLSA-N	223.316	3.319	0	50	BGAA	
COc1ccc2c(c1)-c1nc(C)sc1CC2	2876442	HJUBAVWJHYZZCU-UHFFFAOYSA-N	231.320	3.226	0	50	BGAA	
Cc1ccc(C[C@H]2CCCCCN2)cc1	3734991	SXSKIGANCQBMFE-CQSZACIVSA-N	203.329	3.070	0	50	BGAA	in-vitro
CCCCn1c(-c2ccco2)n[nH]c1=S	5898049	UCNUVULQRPKGBL-UHFFFAOYSA-N	223.301	3.001	0	50	BGAA	
Cc1cccc2cc(Br)cnc12	146618226	SHTGZBWYHRHZHT-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
CC(C)(C)[C@@H](CCc1ccccc1)C(=O)O	162155411	MIBRENCLUDWZDQ-LBPRGKRZSA-N	220.312	3.366	0	50	BGAA	
C[C@H]1CN(Cc2cccnc2)[C@H]1c1ccccc1	245435553	QLSPNQLJOCQGOJ-XJKSGUPXSA-N	238.334	3.275	0	50	BGAA	
Cc1c(Br)ccc(O)c1Cl	575678488	WBKZGVNOJVYDTD-UHFFFAOYSA-N	221.481	3.117	0	50	BGAA	
NC(=O)N1c2ccccc2C=Cc2ccccc21	4785	FFGPTBGBLSHEPO-UHFFFAOYSA-N	236.274	3.387	0	50	BGAA	biogenic,fda
Cc1ccc(C)c(NC(=S)c2ccccn2)c1	310797	LVPFOOUKUCCKIN-UHFFFAOYSA-N	242.347	3.486	0	50	BGAA	
CC[C@H](C)c1ccccc1OCCn1ccnc1	311951	YVGPTGWMFKMECR-ZDUSSCGKSA-N	244.338	3.476	0	50	BGAA	
O=C(NCc1ccc(F)cc1)Nc1ccccc1	474223	ZDWVEMVCZLWPFQ-UHFFFAOYSA-N	244.269	3.147	0	50	BGAA	
CCCCN(CC)C(=O)Nc1ccccc1	2166583	SGLSAOMDEDTCQF-UHFFFAOYSA-N	220.316	3.341	0	50	BGAA	
Cc1ccccc1Oc1cccc(CN)c1	2513119	OVPLWIWLHFQCFR-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	in-vitro
COc1ccc(Cl)cc1-c1ccc(C=O)cn1	2527576	QQILACAVMCXJTI-UHFFFAOYSA-N	247.681	3.223	0	50	BGAA	
Cc1ccc2c(c1)c1ccccc1n2CO	2875076	ZTSAMFSVEFFJSI-UHFFFAOYSA-N	211.264	3.053	0	50	BGAA	
CC[C@@H](Oc1cccc2ccccc12)C(=O)O	5954021	XSGCTWMYGZDHFS-GFCCVEGCSA-N	230.263	3.082	0	50	BGAA	
Cc1ccc(-c2ccc(C)cc2N)c(N)c1	15636146	JCDOPWUOJAXWSK-UHFFFAOYSA-N	212.296	3.135	0	50	BGAA	
Cc1ccc2nc([C@H](F)OC(F)(F)F)[nH]c2c1	19219679	DCLOSCFPNJJECN-MRVPVSSYSA-N	248.179	3.376	0	50	BGAA	
C[C@@H]1CC[C@@H](C)[C@@H](CCCCS(=O)(=O)O)C1	19878118	SMHOOPJVGBBTGZ-UTUOFQBUSA-N	248.388	3.117	0	50	BGAA	
CN(C)N1C[C@@H](c2ccccc2)c2ccccc21	44124685	KBWAEWLSJLSQJJ-HNNXBMFYSA-N	238.334	3.115	0	50	BGAA	
CCNc1ccnc(/C=C/c2ccccc2)n1	65409327	PALFSWBDSLZXKK-CMDGGOBGSA-N	225.295	3.079	0	50	BGAA	
COC[C@H]1CCCCN1Cc1ccc(C)s1	97499406	DTEQKWXDYFBCRA-GFCCVEGCSA-N	239.384	3.057	0	50	BGAA	
O=C(O)[C@@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13	101186986	UMJDXPHIAPUWGB-LTBQPASTSA-N	248.281	3.098	0	50	BGAA	
Cc1nnc(-c2cccc(NC[C@H]3C[C@@H]3C)c2)o1	683110101	PPMQCLHALOZHPL-JOYOIKCWSA-N	243.310	3.113	0	50	BGAA	
CCCC[C@H]1C=CCN1C(=O)c1cc(C)oc1C	1506398559	DRDUDBPVBJSFEO-ZDUSSCGKSA-N	247.338	3.467	0	50	BGAA	
Cc1oc(C)c(C(=O)Nc2ccccc2)c1C	155059	ZWJNEYVWPYIKMB-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	biogenic,in-vitro
NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	162963	OULWACKZBGBRNT-UHFFFAOYSA-N	244.138	3.010	0	50	BGAA	in-vitro
C[C@H](CN1CCCCCC1)C(=O)c1ccccc1	227569	UXMQVEHBYXVIFB-CQSZACIVSA-N	245.366	3.381	0	50	BGAA	
O=C(NC1CCCCC1)[C@H]1C[C@H]1c1ccccc1	276328	VSJGIFGDUPGZCZ-GJZGRUSLSA-N	243.350	3.239	0	50	BGAA	
CSCc1ccccc1Br	397149	FCHWSSFQNWMHKC-UHFFFAOYSA-N	217.131	3.312	0	50	BGAA	in-vitro
O=C(O)c1cccc(OCc2ccc(F)cc2)c1	575364	IRGZUAFLKNHSLJ-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	in-vitro
O=C(O)c1ccccc1OCc1ccc(F)cc1	3243408	BQYHWZTZZNBDMR-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	in-vitro
CCCOc1ccc(C(=O)NC2CCCC2)cc1	6702961	OBWZQCHVOZBVTC-UHFFFAOYSA-N	247.338	3.148	0	50	BGAA	
CCCc1nc2ccccc2c(N)c1CC	18136689	DCJLNFMNBVYQFR-UHFFFAOYSA-N	214.312	3.332	0	50	BGAA	
CCOC(=O)[C@H](C)Sc1ccc(C)cc1	55278975	CGHDPXUTCLSRIX-JTQLQIEISA-N	224.325	3.039	0	50	BGAA	
CC[C@@H](c1ccccc1)N1CC[C@@H](CN(C)C)C1	229684843	DDGIMTGAPGCBRK-HOCLYGCPSA-N	246.398	3.021	0	50	BGAA	
O=Cc1c(F)cccc1-c1cccc(O)c1	725270560	BJWOAKDOVDXTMY-UHFFFAOYSA-N	216.211	3.011	0	50	BGAA	
O=C(Cc1ccccc1)Nc1ccccc1F	136074	DKSLNHVRCOUVSJ-UHFFFAOYSA-N	229.254	3.007	0	50	BGAA	
Cc1occc1C(=O)Nc1ccc2c(c1)CCC2	1053647	UCUJAASOYNDRIJ-UHFFFAOYSA-N	241.290	3.329	0	50	BGAA	
O=C(O)Cc1cccc(-c2ccc(F)cc2)c1	1259255	KEHXYIKRLCYNJX-UHFFFAOYSA-N	230.238	3.120	0	50	BGAA	in-vitro
CN[C@H](Cc1ccccc1)c1ccccc1	2165188	GNMNPHPUCWQGJK-OAHLLOKOSA-N	211.308	3.190	0	50	BGAA	in-vitro
CCOc1cc(C)c(C=O)cc1C(C)C	2597464	AJEMGCWPWNRYNF-UHFFFAOYSA-N	206.285	3.330	0	50	BGAA	in-vitro
CCCC[C@@H]1CN(C)CC[C@]1(O)c1ccccc1	4019957	QSWUHCIUQIOCAM-CVEARBPZSA-N	247.382	3.016	0	50	BGAA	
Cc1cccc(OCCN2C[C@@H](C)C[C@@H](C)C2)c1	4906293	QQBAVMQRULVQPC-GASCZTMLSA-N	247.382	3.352	0	50	BGAA	
COC(=O)c1ccc(-c2cccc(OC)c2)cc1	6407465	MCLLRMRHLVBIOE-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	in-vitro
Cc1ccc(CC(=O)NCC2CCCCC2)cc1	6699261	UGNLPMIVPFPDHK-UHFFFAOYSA-N	245.366	3.234	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)c(C)c1	6727200	DLFJYZDAKPUZNJ-SGMGOOAPSA-N	231.339	3.137	0	50	BGAA	
COC(=O)C1=CC[C@@](C)(c2ccccc2)CC1	43214830	JBJXBFZMOHZKPJ-OAHLLOKOSA-N	230.307	3.228	0	50	BGAA	
Cc1ccc(C(C)(C)O)c2ccccc12	45027568	JLPUGJXKRZQRIV-UHFFFAOYSA-N	200.281	3.376	0	50	BGAA	
c1ccc([C@@H]2C[C@H]3CCCCN3C2)cc1	96027051	JKECMGSANFSNJV-ZIAGYGMSSA-N	201.313	3.028	0	50	BGAA	
Oc1cc(C(F)F)cc(C(F)(F)F)c1	238672841	LVOBXDFAFFNPBH-UHFFFAOYSA-N	212.117	3.349	0	50	BGAA	
C[C@H](NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccccc1	245420095	BWSJVURPHFFHSN-SPWCGHHHSA-N	243.350	3.300	0	50	BGAA	
CC1(C)CCC=C(c2ccc(C=O)cn2)C1	725245446	HFPZVMMZAHULJF-UHFFFAOYSA-N	215.296	3.488	0	50	BGAA	
C=CC(=O)Nc1ccc2oc(CCCC)nc2c1	2069391535	LXXZETMZKPZLTD-UHFFFAOYSA-N	244.294	3.295	0	50	BGAA	
O=C1CC[C@@H](c2ccc3ccccc3c2)O1	154619	RTHDLBGPIRDCFJ-ZDUSSCGKSA-N	212.248	3.218	0	50	BGAA	
O=C(O)C[C@@H](Cc1ccccc1)c1ccco1	317898	JHHKVXLMSCXJQL-GFCCVEGCSA-N	230.263	3.081	0	50	BGAA	in-vitro
CC(=O)N(c1ccccc1)c1ccccc1	409358	DKLYDESVXZKCFI-UHFFFAOYSA-N	211.264	3.371	0	50	BGAA	
O=C(O)c1ccccc1-c1cccc(F)c1	2581025	GEZNPQHOTCPFEL-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	
Cc1ccc(C)n1[C@H](CC(=O)O)c1ccsc1	3880946	YJAWOHTVPDBMKW-GFCCVEGCSA-N	249.335	3.231	0	50	BGAA	
Cc1cc(Nc2cccc(C)c2C)nc(C)n1	11907751	GSPSWTIHULFFNA-UHFFFAOYSA-N	227.311	3.454	0	50	BGAA	
Cc1ccc(Oc2ccc(CO)cc2)cc1	20435184	BUFGNWMVLDDQSB-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	in-vitro
CC(C)n1cnc2c(Cl)cc(Cl)nc21	118619493	FICGNBSSGRMFIO-UHFFFAOYSA-N	230.098	3.319	0	50	BGAA	
CC1(C(=O)N[C@@H]2CC23CC3)CCCCCC1	335119913	NVKUXBZPBALHEX-LLVKDONJSA-N	221.344	3.016	0	50	BGAA	
Oc1cccnc1-c1cc(F)cc2cccnc12	426535684	JASSLXSAVLFZJJ-UHFFFAOYSA-N	240.237	3.142	0	50	BGAA	
CC1=C2C(=O)O[C@H](c3ccoc3)[C@]2(C)CCC1	265495	XYYAFLHHHZVPRN-TZMCWYRMSA-N	232.279	3.384	0	50	BGAA	biogenic
CC1=CCCC2=C[C@@H](OC2=O)c2c(C)coc2C1	3596850	LWCKQMHMTSRRAA-CYBMUJFWSA-N	244.290	3.395	0	50	BGAA	biogenic,in-vitro
C[C@H]1CCC[C@H](C)N1C(=O)/C=C/c1ccccc1	3996946	VTBRAQMXYIIONS-GHYUOPHCSA-N	243.350	3.489	0	50	BGAA	
O[C@H](c1ccc(F)cc1)c1cccc(F)c1	4254947	SBCIQJIBLBKOAW-CYBMUJFWSA-N	220.218	3.047	0	50	BGAA	
Fc1cnc(Cl)nc1NC1CCCCC1	4751564	GFWGJIJIONAZTJ-UHFFFAOYSA-N	229.686	3.014	0	50	BGAA	
CCOC(=O)C(F)(F)c1ccc(C(C)C)cc1	31829535	CRNSFQGKWLNQLK-UHFFFAOYSA-N	242.265	3.465	0	50	BGAA	
COc1cccc(F)c1-c1cnccc1C	65383732	QGOHHQSERKUCAH-UHFFFAOYSA-N	217.243	3.205	0	50	BGAA	
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1c1ccccc1	82610332	MBZAGPLGLMIZOL-VXGBXAGGSA-N	233.311	3.067	0	50	BGAA	
CC(=O)c1c(C)cccc1NC(=O)c1ccoc1	157831029	CUJXUXXQBWULNO-UHFFFAOYSA-N	243.262	3.043	0	50	BGAA	
C1CC2(CCO1)CCC(NC[C@@H]1CC13CC3)CC2	335304920	UGIHPOGXIWKNLE-ZDUSSCGKSA-N	249.398	3.116	0	50	BGAA	
C[C@@H](O)c1cccc(-c2ccccc2N(C)C)c1	426715791	ALNJSXULAJMSLX-GFCCVEGCSA-N	241.334	3.473	0	50	BGAA	
Cc1ncnc(-c2cccc3cccnc23)c1C	426719961	OOKAROROGKEYPY-UHFFFAOYSA-N	235.290	3.309	0	50	BGAA	
C[C@H](CSc1ccc(Cl)cc1)C(=O)O	107155	ZSTRUEASXLQXCM-SSDOTTSWSA-N	230.716	3.153	0	50	BGAA	
Cc1ccccc1NCCc1ccccn1	152582	PLLGMAKXWNLGGY-UHFFFAOYSA-N	212.296	3.045	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)CCC2CCCC2)nc1	362289	WNLCRJJEYGQZFS-UHFFFAOYSA-N	232.327	3.299	0	50	BGAA	
CC(C)c1ccc(C(=O)NC2CCCC2)cc1	476403	XRTRHSJCOMSPSA-UHFFFAOYSA-N	231.339	3.482	0	50	BGAA	
CN(C)CCCCOc1cccc(Cl)c1	2823599	IVQWLNDHNJHWNB-UHFFFAOYSA-N	227.735	3.061	0	50	BGAA	
CCCCNC(=O)Oc1ccc(F)cc1Cl	3080888	XBXIOPSWCJPMBA-UHFFFAOYSA-N	245.681	3.368	0	50	BGAA	
COc1ccc(CNc2cccc(C)n2)cc1	4182904	RSUUNIXTVYMALD-UHFFFAOYSA-N	228.295	3.011	0	50	BGAA	
CC1(C)C[C@]2(C)OC(=O)N[C@]2(C)c2ccccc21	4717351	BZTQELZAQCTKGM-LSDHHAIUSA-N	245.322	3.082	0	50	BGAA	
O=C(O)C1(c2cccc(Cl)c2)CCCC1	15014773	GGEPQYZXKVJSEX-UHFFFAOYSA-N	224.687	3.236	0	50	BGAA	in-vitro
Cc1nc(C(=O)Nc2ccc(C(C)C)cc2)co1	22606343	FKKFGIDCKBDXIR-UHFFFAOYSA-N	244.294	3.359	0	50	BGAA	
Cc1ncccc1C(=O)N[C@H]1CCCCC1(C)C	176800138	RZFWWJYRLZBKCO-ZDUSSCGKSA-N	246.354	3.089	0	50	BGAA	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCCCC1	248499717	RCWZCMMSSYYBPB-IHRRRGAJSA-N	235.371	3.215	0	50	BGAA	
CCC[C@H](C)NC(=O)[C@@H](C)c1ccccc1	680017871	WQKGIHYNYLYJNN-RYUDHWBXSA-N	219.328	3.095	0	50	BGAA	
CC1(C)Cc2cc(Br)ccc2[C@@H]1N	1857779277	XKCJHQVXVWDKME-JTQLQIEISA-N	240.144	3.031	0	50	BGAA	
Cc1ccccc1NC(=O)Cc1ccccc1	64857	AAXKSSHVSDXPCO-UHFFFAOYSA-N	225.291	3.176	0	50	BGAA	
COc1ccc(C(=O)Nc2cccc(C)c2)cc1	123522	DOEUHYAIQRIZIY-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	biogenic
O=C(Nc1ccc(Cl)cc1)NC1CCCC1	190061	CSRVKTZFCGVPDA-UHFFFAOYSA-N	238.718	3.404	0	50	BGAA	
C[C@@H](CN1CCCCCC1)C(=O)c1ccccc1	227567	UXMQVEHBYXVIFB-AWEZNQCLSA-N	245.366	3.381	0	50	BGAA	
c1cncc(-c2noc(CC3CCCCC3)n2)c1	316754	PAFZRZOCMMNINY-UHFFFAOYSA-N	243.310	3.254	0	50	BGAA	
Cc1cc(N2Cc3ccccc3C2)ccc1C=O	317838	MNXZNQDPLSPRGP-UHFFFAOYSA-N	237.302	3.328	0	50	BGAA	
CC[C@H](Oc1cc(C)c(Cl)c(C)c1)C(=O)O	6048911	SBQVJRJGCJTRLY-JTQLQIEISA-N	242.702	3.199	0	50	BGAA	
O=C(NC1C2CC3CC(C2)CC1C3)C1CCCC1	7037127	RMHFGIRLSJRNBX-UHFFFAOYSA-N	247.382	3.118	0	50	BGAA	
O=C(O)CCc1ccc(-c2ccccc2)cc1	9998612	MVFHRQWYCXYYMU-UHFFFAOYSA-N	226.275	3.371	0	50	BGAA	in-vitro
Clc1ncnc2c(Br)csc12	15444663	LJFZDPZIIKOATA-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
C[C@@H]1CCc2nc3ccccc3c(C(=O)O)c2C1	19229893	ZKCKKMVBVAVEIY-SECBINFHSA-N	241.290	3.058	0	50	BGAA	in-vitro
C=CC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1	585140750	MWNDORQWIPWZRU-ZBFHGGJFSA-N	241.334	3.100	0	50	BGAA	
CCn1ncnc1-c1ccc2[nH]c(C)c(C)c2c1	670445287	VPSSMADDTXFGIP-UHFFFAOYSA-N	240.310	3.063	0	50	BGAA	
O=C(c1ccccc1)c1c(F)cccc1F	156290	KTRGJHDNHIPMEY-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	in-vitro
O=C1CCCC[C@@H]1Sc1nc2ccccc2[nH]1	451168	LZANEDGITFZGIL-LBPRGKRZSA-N	246.335	3.167	0	50	BGAA	
C[C@@H](CCCC(C)(C)O)NCc1ccccc1	2522204	OJBAKWHMDUKQLQ-ZDUSSCGKSA-N	235.371	3.106	0	50	BGAA	
Cc1ccc(CNc2ccccc2C(=O)O)s1	4935125	WSDPHIKQTZXFMK-UHFFFAOYSA-N	247.319	3.367	0	50	BGAA	
COc1ccccc1CCNCc1ccccc1	19720571	XHXJIYMJKQCQFX-UHFFFAOYSA-N	241.334	3.028	0	50	BGAA	
CC(C)=CCC[C@@H](C)CCN1CCC[C@@H](O)C1	23280323	DUVCPZKQVRGBMO-HUUCEWRRSA-N	239.403	3.216	0	50	BGAA	
COC1CCC(Nc2ccc(Cl)nc2)CC1	164276048	RXKMAQRHGHITSS-UHFFFAOYSA-N	240.734	3.105	0	50	BGAA	
CCC1(CC)CCc2nc(N)sc2C1	201961532	PKQPXJVPQBBYQB-UHFFFAOYSA-N	210.346	3.020	0	50	BGAA	
Cc1ccc(Br)c2ncsc12	307159161	JAZRNDCZWWFUQT-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	
COc1c(C)cc(-c2[nH]c(C)nc2C)cc1C	426486183	ZVVMMCSGJDJFAN-UHFFFAOYSA-N	230.311	3.319	0	50	BGAA	
CN(CCC1CC1)c1ccnc2ccccc12	446883351	GHXXTJHDUWDVPT-UHFFFAOYSA-N	226.323	3.471	0	50	BGAA	
C/C=C(\C)c1cccc([C@H](O)Cn2ccnc2)c1	2325807988	QJQYKEYKUDYPRP-NEDLJVEISA-N	242.322	3.040	0	50	BGAA	
c1ccc(CN[C@H]2CCCc3ccccc32)nc1	227861	HGPHGLOWUWJAPV-INIZCTEOSA-N	238.334	3.249	0	50	BGAA	
C[C@@H](CCc1ccccc1)NCc1ccncc1	279508	YISYWSYTOXIDOU-AWEZNQCLSA-N	240.350	3.193	0	50	BGAA	
CC(=O)c1cccc(NC(=O)c2ccc(C)o2)c1	366917	GVURHIGCSZLZRR-UHFFFAOYSA-N	243.262	3.043	0	50	BGAA	
Cc1ccc(Oc2ccc(CN)cc2)cc1	816351	ZNHILEFNCURVGP-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	
O=Cc1ccc(F)c(Oc2ccccc2)c1	2244214	JDICMOLUAHZVDS-UHFFFAOYSA-N	216.211	3.431	0	50	BGAA	in-vitro
Brc1ccccc1N1CCCCC1	2526756	ULDSFDQNVQGLCC-UHFFFAOYSA-N	240.144	3.439	0	50	BGAA	in-vitro
c1ccc(C2(c3ccccc3)CCCNC2)cc1	2526853	HDZJBTLCBDRDGW-UHFFFAOYSA-N	237.346	3.356	0	50	BGAA	
COc1ccc(Cl)c(Br)c1	2545217	SQHMXVXKKCXIGN-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	in-vitro
COc1ccc(Br)cc1Cl	2582010	FPIQNBOUYZLESW-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	
Cc1ccc(OCCCN2CCC[C@@H](C)C2)cc1	2822552	YKLDEHREGBUFKH-OAHLLOKOSA-N	247.382	3.496	0	50	BGAA	
Cc1cccc(Cl)c1OCCNC(C)(C)C	2933221	FZMXBPSPYUFYEF-UHFFFAOYSA-N	241.762	3.415	0	50	BGAA	
C[C@H]1CCC[C@@H](C)N1C(=O)Cc1ccccc1	13468404	MLILZFACFPQHDN-BETUJISGSA-N	231.339	3.019	0	50	BGAA	
CN(C)C(C)(C)C(=O)c1cc2ccccc2s1	96027495	XXGQMXQLQBVFLF-UHFFFAOYSA-N	247.363	3.424	0	50	BGAA	
CSc1ccc(C=O)c(C(F)(F)F)c1	117729984	DGATVCIIBDMZAZ-UHFFFAOYSA-N	220.215	3.240	0	50	BGAA	in-vitro
CC(=O)c1ccc(Oc2ccc(C)cc2)nc1	212847818	KOJPHSCAHHCJOL-UHFFFAOYSA-N	227.263	3.385	0	50	BGAA	
CC[C@@H]1CCC[C@H](NC[C@@H]2CCCC[C@H]2O)C1	251692551	ILDKSLJNKXGJRY-CBBWQLFWSA-N	239.403	3.096	0	50	BGAA	
CC(C)(C)OC(=O)Nc1csc(Cl)n1	575442147	OVQFRLNQQHOGKV-UHFFFAOYSA-N	234.708	3.144	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1NC[C@H](C)C[C@H]1C	757216213	YXKAOYDFFNYIMB-XDMRBOTDSA-N	243.354	3.178	0	50	BGAA	
Cc1cccc(NC(=O)Cc2ccccc2)c1	64835	XIZNMZFOCKTOLH-UHFFFAOYSA-N	225.291	3.176	0	50	BGAA	
CSc1nc(C)cc(Oc2ccccc2)n1	620464	JDPFUFWTNNYKNX-UHFFFAOYSA-N	232.308	3.299	0	50	BGAA	
O=Cc1cccc(-c2cccc(F)c2)c1	1259568	JKHXPCVGTFXSES-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	
CCc1ccccc1OCCCNC(C)(C)C	2901581	WWFBQKSEJXCWBT-UHFFFAOYSA-N	235.371	3.406	0	50	BGAA	
CC(=O)c1ccc(C(F)(F)F)cc1F	4264714	OLDXVWXLMGJVPH-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	in-vitro
Cc1ccccc1CC(=O)Nc1ccc(F)cc1	6699198	DVVBYYZAMOVSHL-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
CC1(C)CNc2ccc(Br)cc21	38339562	CPLGFHHNPVKTBM-UHFFFAOYSA-N	226.117	3.152	0	50	BGAA	in-vitro
O=C1C=CCC2(CCCC2)[C@@]12CCCS2	43198894	XPBAVOVAFSXUAY-CYBMUJFWSA-N	222.353	3.342	0	50	BGAA	
C1=CCC23CC=CCC2(C=CC2(C3)OCCO2)C1	44143976	KCQCHRCJORBWSM-UHFFFAOYSA-N	244.334	3.362	0	50	BGAA	
Cc1cc(Br)c(C=O)c2cc[nH]c12	149440286	PCTGOLAYXQKKBU-UHFFFAOYSA-N	238.084	3.051	0	50	BGAA	
CC1=CCN(Cc2ccc3c(ccn3C)c2)CC1	215375655	JBYVXNBBAGFMIX-UHFFFAOYSA-N	240.350	3.330	0	50	BGAA	
CO[C@H]1[C@]23CCC[C@]2(C3)[C@@H](OC)[C@]23CCC[C@]12C3	247951277	LYGNJVSNKRVTCT-ZUISRVRFSA-N	248.366	3.151	0	50	BGAA	
C[C@@H]1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	585124275	KLFSZANXUKIBLY-DGCLKSJQSA-N	227.311	3.306	0	50	BGAA	
CCc1cc(NC(=O)[C@@H]2CC2(C)C)ccc1F	803446091	NFMDXHAAHZVNJW-NSHDSACASA-N	235.302	3.373	0	50	BGAA	
CCCC1CCC(NC[C@H]2CC(C)=NO2)CC1	895309288	SOTKEYFGKGCQRX-JXQTWKCFSA-N	238.375	3.100	0	50	BGAA	
CCO[C@@H](C)c1ccc(-c2ncccn2)cc1	1506423307	DZZYGFQSWRYZCN-NSHDSACASA-N	228.295	3.241	0	50	BGAA	
Cc1ccc2c(n1)N(C(=O)OC(C)(C)C)CCC2	4352651	CHWMFCCGEWQABK-UHFFFAOYSA-N	248.326	3.078	0	50	BGAA	in-vitro
Cc1ccc(Nc2nnc(C)s2)c(C)c1	6701517	FNZSDNMDPASGNP-UHFFFAOYSA-N	219.313	3.207	0	50	BGAA	
Cc1cn2cccc(OCc3ccccc3)c2n1	26174570	BWMDUDCGBRNUQT-UHFFFAOYSA-N	238.290	3.222	0	50	BGAA	
Oc1ccc2c(Cc3ccccc3)noc2c1	32502170	PKPHOAWTBCEKQL-UHFFFAOYSA-N	225.247	3.124	0	50	BGAA	
Cc1ccc(Br)c(S)c1	36533070	QNISLFVTUSHUTO-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	
C=C(NN)c1cc(Cl)c(Cl)cc1Cl	71778152	CYGRVDTYTNGJST-UHFFFAOYSA-N	237.517	3.081	0	50	BGAA	
Fc1ccc(S)c(Br)c1F	71792137	BPROXHATBUJVTL-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CC1(C)C[C@]1(Cl)[S@](=O)c1ccccc1	95627056	LDYHZLISFHJPKZ-FZMZJTMJSA-N	228.744	3.159	0	50	BGAA	
c1cc2c3c(c1)C[C@@H](NCC1CC1)C[C@H]3CC2	96027591	MVHPZMFHBAZRLZ-HUUCEWRRSA-N	227.351	3.031	0	50	BGAA	
CC1=NN(c2cc(Cl)ccc2Cl)C(=O)C1	100047779	FCWUFSJRTXLBTH-UHFFFAOYSA-N	243.093	3.106	0	50	BGAA	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)c1ccccc1	239338818	LGVKMSAWQIXHCJ-MBNYWOFBSA-N	231.339	3.241	0	50	BGAA	
CC1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)CC1	248533158	SJOYAYSSARONHN-IHRRRGAJSA-N	235.371	3.071	0	50	BGAA	
CCSC[C@@H](C)NC1(Cc2ccccc2)CC1	534656829	FLTDKOFXUVJJCN-CYBMUJFWSA-N	249.423	3.493	0	50	BGAA	
CC[C@H](C)S[C@@H]1CC(=O)CC[C@H]1C	725361636	MUIYDUASWVMMID-WCABBAIRSA-N	200.347	3.276	0	50	BGAA	
C=Cc1ccc(N2CCC[C@H](OCCC)C2)nc1	1506423189	UEMRIWTWOBIUOF-AWEZNQCLSA-N	246.354	3.120	0	50	BGAA	
CC[C@]1(C)OC(=O)N2CCc3ccccc3[C@]21C	139854	OGJNMISUIGRWIJ-GJZGRUSLSA-N	245.322	3.079	0	50	BGAA	biogenic,in-vitro
Fc1ccc(-c2nc3ccccc3[nH]2)cc1	140595	FPWUSPPQEHBWHC-UHFFFAOYSA-N	212.227	3.369	0	50	BGAA	in-vitro
O[C@H](c1ccccc1)c1ccc(Cl)cc1	388155	AJYOOHCNOXWTKJ-CYBMUJFWSA-N	218.683	3.422	0	50	BGAA	biogenic,in-vitro
O=C(O)c1cccc(NCc2cccs2)c1	516956	NLPALFQBTRMEPX-UHFFFAOYSA-N	233.292	3.058	0	50	BGAA	
O=C(CC1CCCCC1)NCCc1ccccc1	858629	BDWDBZQULOREPW-UHFFFAOYSA-N	245.366	3.316	0	50	BGAA	in-vivo
CCCCOC(=O)Nc1cccc(OC)c1	2170943	AHQILMVVVPJVPW-UHFFFAOYSA-N	223.272	3.044	0	50	BGAA	
CC(=O)c1cc(Cl)cc(Br)c1O	2570794	FFAVKFQPEOGJOA-UHFFFAOYSA-N	249.491	3.011	0	50	BGAA	in-vitro
Cc1cc2ncn(-c3ccncc3)c2cc1C	65500260	JPHDYDFHRCFQRR-UHFFFAOYSA-N	223.279	3.037	0	50	BGAA	
Cc1nc2cc(-c3cnn(C)c3)ccc2s1	138466983	VBXYGIIQOLDHBI-UHFFFAOYSA-N	229.308	3.005	0	50	BGAA	
Fc1c(Br)ccc2cccnc12	166765945	QXKAZGUVDWLARG-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
CN(C)c1cccc(CN(C)c2ccccc2)c1	170639505	NKZOGSAIAPBWMW-UHFFFAOYSA-N	240.350	3.389	0	50	BGAA	
Fc1cc(Br)cc(NC2CC2)c1F	230538480	UKUWKKBKSNKZBK-UHFFFAOYSA-N	248.070	3.302	0	50	BGAA	
CCn1ncc(-c2cc3ccccc3n2C)c1C	2356147830	REWIPZQKBTZATG-UHFFFAOYSA-N	239.322	3.370	0	50	BGAA	
Cc1ccc(NC(=O)NCc2ccco2)c(C)c1	395413	VGJRJZNTDQRGKE-UHFFFAOYSA-N	244.294	3.218	0	50	BGAA	
CC(C)[C@@H](C)NC(=O)c1ccccc1Cl	395860	KVTCBMNCGRUEGO-SECBINFHSA-N	225.719	3.114	0	50	BGAA	
Nc1ccccc1Oc1ccc(F)cc1	2538754	HTUQBFIJDVYEBA-UHFFFAOYSA-N	203.216	3.200	0	50	BGAA	
C[C@H](O)C(C)(c1ccccc1)c1ccccc1	3131469	JKXJSADSNRAWSZ-ZDUSSCGKSA-N	226.319	3.373	0	50	BGAA	
Nc1ccc(Oc2ccccc2F)c(F)c1	14630648	SRDJCSJIBYAOLH-UHFFFAOYSA-N	221.206	3.339	0	50	BGAA	
O=C(O)[C@@H](c1ccccc1)c1ccc(F)cc1	14808334	PKCHPRKLZKXQHF-ZDUSSCGKSA-N	230.238	3.042	0	50	BGAA	in-vitro
FC(F)(F)Oc1ccc2c(Cl)ncnc2c1	71791019	YSAWRQYKZHJVDJ-UHFFFAOYSA-N	248.591	3.182	0	50	BGAA	
Cc1nc2c(Cl)nc(Cl)nc2n1C(C)C	72193752	CAZPSBRBADZWAY-UHFFFAOYSA-N	245.113	3.022	0	50	BGAA	
c1cc2c3c(c1)C[C@H](NCC1CC1)C[C@H]3CC2	96027590	MVHPZMFHBAZRLZ-CABCVRRESA-N	227.351	3.031	0	50	BGAA	
CC[C@@H]1c2ccsc2CCN1C(=O)[C@H]1C[C@H]1C	252443488	ZKEIETRVHMOWOV-ADEWGFFLSA-N	249.379	3.240	0	50	BGAA	
Cc1cc(-c2csc(CC(C)C)n2)on1	362925130	REWMWGWJJXVQPZ-UHFFFAOYSA-N	222.313	3.305	0	50	BGAA	
CC(=O)Oc1cccc2c1Cc1ccccc1-2	398849	DPMXNLQJXHBPES-UHFFFAOYSA-N	224.259	3.183	0	50	BGAA	
CC(C)NC(=O)Oc1ccc(Cl)c(Cl)c1	401988	ZBRCHKBRYXDGFX-UHFFFAOYSA-N	248.109	3.490	0	50	BGAA	
O=C1Oc2ccc(Cl)cc2[C@H]1c1ccccc1	446318	GEMLLCCRVLWNIW-CYBMUJFWSA-N	244.677	3.391	0	50	BGAA	
Cc1ccc(C[C@@H]2CCCCCN2)cc1	3734992	SXSKIGANCQBMFE-AWEZNQCLSA-N	203.329	3.070	0	50	BGAA	in-vitro
Cc1c(C(=O)O)oc2ccc(Cl)cc12	4206072	QEYMIQBZTUQKAC-UHFFFAOYSA-N	210.616	3.093	0	50	BGAA	in-vitro
c1ccc2cc(Cn3ccnc3)ccc2c1	4385938	YYUNLYGEACGPFE-UHFFFAOYSA-N	208.264	3.085	0	50	BGAA	
CC(C)(C)C#CC1(C(=O)O)C(C)(C)C1(C)C	4437140	LQKPHWXMUQOTAK-UHFFFAOYSA-N	222.328	3.173	0	50	BGAA	
Cc1ccc(Br)c(O)c1Cl	65337295	CRIAEOOHQOVEDR-UHFFFAOYSA-N	221.481	3.117	0	50	BGAA	in-vitro
O=Cc1cc(Cl)ccc1OC(F)(F)F	66325566	VJRCCSALVWMZAN-UHFFFAOYSA-N	224.565	3.051	0	50	BGAA	
CC(C)C(=O)NCCC12CC3CC(CC(C3)C1)C2	128320571	SDDZSYBQSMMYOG-UHFFFAOYSA-N	249.398	3.365	0	50	BGAA	
Cc1ccc(CN2CCC[C@@H]2c2cccnc2)o1	336448067	XVOJDVJRWGYAAS-OAHLLOKOSA-N	242.322	3.320	0	50	BGAA	
Cc1ccccc1CC1(N[C@@H]2CCSC2)CC1	534651137	OQQNFBNIORNAAP-CQSZACIVSA-N	247.407	3.165	0	50	BGAA	
CC(C)[n+]1ccn(C23CC4CC(CC(C4)C2)C3)c1	1857799271	UOBIZLCUWOVAAT-UHFFFAOYSA-N	245.390	3.282	0	50	BGAA	
CCCCOC(=O)/C=C/c1ccccc1	1697361	OHHIVLJVBNCSHV-MDZDMXLPSA-N	204.269	3.043	0	50	BGAA	in-vitro
CNc1ccc(C(=O)c2ccc(NC)cc2)cc1	2512491	HXTBYXIZCDULQI-UHFFFAOYSA-N	240.306	3.001	0	50	BGAA	
O=Cc1nc(-c2ccc(Cl)cc2)cs1	2582748	YGKCTNFJQOTDSJ-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	in-vitro
CCC[C@@H](C)C(=O)N1CCCC[C@@H]1CC	5102980	GKWKSBISNZDDNJ-NEPJUHHUSA-N	211.349	3.214	0	50	BGAA	
Cc1ccc(NC(=S)N2CCCC2)cc1C	6488068	JCFIHMKMYWINNC-UHFFFAOYSA-N	234.368	3.096	0	50	BGAA	
O=C(O)c1nc(-c2cccc(Cl)c2)cs1	12404814	AGFVWFNTHIHOLZ-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	in-vitro
FC(F)(F)c1cccc(OC2CCOCC2)c1	65337407	DGOYASNJAXWLCO-UHFFFAOYSA-N	246.228	3.263	0	50	BGAA	in-vitro
Oc1cccc(-c2nccn2C2CCCC2)c1	67947649	BBMMNLYXTLUNEE-UHFFFAOYSA-N	228.295	3.371	0	50	BGAA	
CC(=O)Nc1cccc(N[C@H]2CCC[C@H]3C[C@H]32)c1	408510450	PHPXEGHPFALRLI-GLQYFDAESA-N	244.338	3.246	0	50	BGAA	
O=Cc1ccc(F)c(-c2ccccc2C(=O)O)c1	725272974	WQIYGXGEORDKGC-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
c1cc(Nc2ccc3c(c2)CCCC3)ncn1	1211028361	OWDNPBNBZNVRFF-UHFFFAOYSA-N	225.295	3.099	0	50	BGAA	
C/C=C(\C)c1cccc([C@@H](O)Cn2ccnc2)c1	2325807987	QJQYKEYKUDYPRP-COHQTCMYSA-N	242.322	3.040	0	50	BGAA	
Cc1ccc(C(=O)N2CCCCCC2)cc1C	29943	YAKHICJPNCULHD-UHFFFAOYSA-N	231.339	3.320	0	50	BGAA	
O=C(CCCc1ccccc1)Nc1ccncc1	363275	AZJFMVVOSPBGDW-UHFFFAOYSA-N	240.306	3.043	0	50	BGAA	
c1ccc2c(c1)Cc1nc3ccccc3nc1-2	402097	ZPWNRRJVDHVOAF-UHFFFAOYSA-N	218.259	3.201	0	50	BGAA	
Cc1cc(C)c([C@@H](C)CC(=O)O)cc1C	5378867	BPFRLJBHYOBGRO-NSHDSACASA-N	206.285	3.190	0	50	BGAA	
CCCNCc1ccc(OCC)c(Cl)c1	10474779	AGDDRORFUCTUJP-UHFFFAOYSA-N	227.735	3.238	0	50	BGAA	
COc1ccc2c(ccn2C(=O)OC(C)(C)C)c1	12471830	LPSLGTZFBDZNEK-UHFFFAOYSA-N	247.294	3.433	0	50	BGAA	
CC[C@@H](C(=O)c1ccccc1)N1CCCCC1	37333052	VFLPICJWFQLLSY-AWEZNQCLSA-N	231.339	3.134	0	50	BGAA	in-vitro
Cc1nc(-c2ccccc2)sc1CNC1CC1	45205693	NNUBZCNPDCQYMU-UHFFFAOYSA-N	244.363	3.371	0	50	BGAA	
COc1ccc(C(F)F)c(Br)c1	47203472	WSAKDJNZGGQTJE-UHFFFAOYSA-N	237.043	3.395	0	50	BGAA	
C[C@H](Cc1ccccc1)N[C@H]1C[C@H]2CC[C@H]1C2	105194532	HKLJAIPTHOKCPY-OEAJRASXSA-N	229.367	3.396	0	50	BGAA	
O=C1Cc2ccccc2Cc2ccc(F)cc21	114096254	IVYDJPXELKPRQB-UHFFFAOYSA-N	226.250	3.155	0	50	BGAA	
Cc1occc1SCc1nccs1	131541578	UQUJFCWIEATAFB-UHFFFAOYSA-N	211.311	3.337	0	50	BGAA	
Cc1ncc(-c2ccc3c(c2)CC(C)(C)O3)o1	848952912	PILDQZKMCOWPQH-UHFFFAOYSA-N	229.279	3.364	0	50	BGAA	
C[C@@H]1Cc2ccc(F)c(C=C3CCC3)c2CN1	1875359769	PJRJWBXCZVGQPX-SNVBAGLBSA-N	231.314	3.427	0	50	BGAA	
Cc1ccc(COc2ccccc2C=O)cc1	65203	KLZXAPCLPREJOL-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
Clc1ccc(CNCc2cccnc2)cc1	76985	FAAFCUORVZBCEF-UHFFFAOYSA-N	232.714	3.025	0	50	BGAA	
CCOC(=O)Nc1cc(C)c(Cl)cc1OC	145420	FVQNWGSADYLMJU-UHFFFAOYSA-N	243.690	3.225	0	50	BGAA	
O=C(Nc1cccc(Cl)c1Cl)C1CC1	398420	NLFIWJUWFWNKIO-UHFFFAOYSA-N	230.094	3.342	0	50	BGAA	
CCN(CC)C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	1597853	NGDCMVHOVGGVIX-NWDGAFQWSA-N	223.360	3.093	0	50	BGAA	
Fc1cc(Cl)cc(Br)c1	2545223	GGMDFPMASIXEIR-UHFFFAOYSA-N	209.445	3.242	0	50	BGAA	biogenic,in-vitro
Cc1ccc([S@@](=O)Nc2ccccc2)cc1	5368815	BGMJJLOVKKCDRC-INIZCTEOSA-N	231.320	3.130	0	50	BGAA	
CCc1ccc(OC/C=C/Cn2ccnc2)cc1	16623012	IBYCZHADIVMADA-ONEGZZNKSA-N	242.322	3.081	0	50	BGAA	
COC(=O)c1cccc(-c2ccccc2OC)c1	16945791	NLUPAXIJLKCVFW-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	in-vitro
Cc1cc(-c2cccc(C(=O)O)c2)ccc1O	65340363	TUHRITZSPQMTDN-UHFFFAOYSA-N	228.247	3.066	0	50	BGAA	in-vitro
C=Cc1ccc(F)cc1Br	71790220	MNKVLFONYODHBB-UHFFFAOYSA-N	201.038	3.231	0	50	BGAA	in-vitro
CN(C)CCC(=O)C1(c2ccccc2)CCCC1	96027977	PUQOFDUPNISBFO-UHFFFAOYSA-N	245.366	3.019	0	50	BGAA	
CC(=O)c1ccc(CC(C)(C)NCC(C)C)cc1	96027986	QLDKRLOXGSPUGD-UHFFFAOYSA-N	247.382	3.456	0	50	BGAA	
Cc1nc(-c2ccc3sccc3c2)no1	356600511	WYCVJXANSGREAR-UHFFFAOYSA-N	216.265	3.260	0	50	BGAA	
CCCn1nccc1-c1ccc(CSC)cn1	426701359	FPGWTVXRWIGNAH-UHFFFAOYSA-N	247.367	3.218	0	50	BGAA	
Cc1nc2cc(-c3ccc(O)cn3)ccc2s1	1875246800	AURUIYJVEDVTTF-UHFFFAOYSA-N	242.303	3.372	0	50	BGAA	
CSc1ccc(CNc2ccccn2)cc1	2489427	PQZCQJCZFCQPBD-UHFFFAOYSA-N	230.336	3.416	0	50	BGAA	in-vitro
O=C(O)c1cc2ccc(Cl)c(Cl)c2[nH]1	2582692	TUXCSCQQWQOWDU-UHFFFAOYSA-N	230.050	3.173	0	50	BGAA	in-vitro
Cc1cc(C)c(C(=O)NC2CCCC2)c(C)c1	6726331	KIENNJPZJQEACI-UHFFFAOYSA-N	231.339	3.284	0	50	BGAA	
COC(=O)c1ccc2oc(C3CC3)cc2c1	114960532	LYHRZPGEDRNPCB-UHFFFAOYSA-N	216.236	3.097	0	50	BGAA	
Cc1cc(C)nc(NC(=O)N2CCCC[C@@H]2C)c1	125592015	CSDNMEWIISGYQX-LBPRGKRZSA-N	247.342	3.105	0	50	BGAA	
CC(C)(C)OC(=O)N1CCC[C@@H]1[Si](C)(C)C	169989431	HJGAXMDEXCEYGL-JTQLQIEISA-N	243.423	3.263	0	50	BGAA	
CC1(C)Cc2c(Br)cccc2[C@H]1N	215245699	XYYMDOGUFQKORX-SNVBAGLBSA-N	240.144	3.031	0	50	BGAA	
C1=C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6[C@H]5[C@@H]([C@@H]43)[C@@H]2[C@H]16	257356790	KGSHKEGGGVMYNT-BXGDXWGISA-N	212.336	3.347	0	50	BGAA	
O=C(c1ccsc1)N1CCC[C@H](C2CC2)C1	290798360	FDKXMPVEUNSNNT-NSHDSACASA-N	235.352	3.010	0	50	BGAA	
C[C@@H]1CCC(=O)C[C@@H]1SC(C)(C)C	725362100	PUHZIAVIQFJJQE-SCZZXKLOSA-N	200.347	3.276	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@H]1C[C@H](C)N[C@H](C)C1	757213087	NXJYVJMJISDSNA-ZSBIGDGJSA-N	243.354	3.115	0	50	BGAA	
Cc1cccc(NC(=O)Nc2ccc(F)cc2)n1	153491	HKSKNTROGMGELW-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
CC(=O)Nc1ccc(-c2ccc(F)cc2)cc1	155673	JORMZLCKCZMVJM-UHFFFAOYSA-N	229.254	3.451	0	50	BGAA	
O=C(CCC1CCCC1)NCc1ccc(F)cc1	461406	KJVWPNDSBFHHFD-UHFFFAOYSA-N	249.329	3.412	0	50	BGAA	
Cc1ccc(/C=C/C(=O)NC2CCCCCC2)o1	473406	DICUYQSRPAXRNW-ZHACJKMWSA-N	247.338	3.440	0	50	BGAA	
CCCCc1c(C)c2ccc(O)c(C)c2oc1=O	2180707	WBSHKNWGTNMYAF-UHFFFAOYSA-N	246.306	3.458	0	50	BGAA	
CN(C)C(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2	3897124	JBNRWEMWCDUNNG-UHFFFAOYSA-N	249.398	3.461	0	50	BGAA	
Fc1ccc(CN2CCCCCC2)cc1F	4990176	DXLVVLNITIKOKM-UHFFFAOYSA-N	225.282	3.341	0	50	BGAA	
c1ccc(Cc2n[nH]c3ccccc23)cc1	4993051	XSFVAQRSZSENGO-UHFFFAOYSA-N	208.264	3.154	0	50	BGAA	
CCOc1ccc(Br)c(C)c1	5863243	YDVQAAWPYJCMHH-UHFFFAOYSA-N	215.090	3.156	0	50	BGAA	
Cc1ccccc1CC(=O)NC1CCCCCC1	6726809	OIKPWLQVHIBJHZ-UHFFFAOYSA-N	245.366	3.377	0	50	BGAA	
CCCOc1cccc(C(=O)N[C@H](C)CC)c1	10120523	NAWLUYBKCPTMHN-LLVKDONJSA-N	235.327	3.004	0	50	BGAA	
COc1ccccc1-c1nc2ccc(N)cc2o1	20423990	FKBCPTRYFOWZPB-UHFFFAOYSA-N	240.262	3.086	0	50	BGAA	in-vitro
CC[C@H](Nc1ncnc(C)c1C)c1nccs1	95368865	RDLRWGXLSANPAV-JTQLQIEISA-N	248.355	3.113	0	50	BGAA	
Cc1noc(C)c1C[C@H](C)NCc1ccccc1	119820143	QZGMEOPAAWMEFY-NSHDSACASA-N	244.338	3.012	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2nnc(C)s2)cc1	426515504	JTSPGOLVDXMYAS-QMMMGPOBSA-N	234.324	3.221	0	50	BGAA	
COC1(CSc2cccc(O)c2)CCC1	450910221	USBFWCBYMZFQCH-UHFFFAOYSA-N	224.325	3.053	0	50	BGAA	
c1ccc2c(CN3CCCCC34CC4)n[nH]c2c1	1137350905	KRMRSOUFVUHNIO-UHFFFAOYSA-N	241.338	3.081	0	50	BGAA	
O=C(Cc1ccccc1)c1cccs1	54860	HXMVINSKZVYIDI-UHFFFAOYSA-N	202.278	3.174	0	50	BGAA	
Cc1ccccc1NC(=O)c1ccccc1F	347222	JTJSUVUUBQMAHW-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CCOc1ccc(CNCc2cccs2)cc1	360084	MYYVAIHWPYPDSV-UHFFFAOYSA-N	247.363	3.437	0	50	BGAA	
CCC(CC)C(=O)Nc1ccccc1OC	362474	YATWXZZHGQURBN-UHFFFAOYSA-N	221.300	3.070	0	50	BGAA	
O=C(NCC1CCCCC1)NC1CCCCC1	388946	PMBPKSGAGUUSQE-UHFFFAOYSA-N	238.375	3.199	0	50	BGAA	
CC(C)(c1ccc(O)cc1)c1ccccc1O	1509568	MLCQXUZZAXKTSG-UHFFFAOYSA-N	228.291	3.424	0	50	BGAA	in-vitro
CCNCCC12CC3CC(CC(C3)C1)C2	5650420	QZKOOZQAALGEBR-UHFFFAOYSA-N	207.361	3.202	0	50	BGAA	
Cc1ccc(N2Cc3ccc(N)cc3C2)cc1C	36683573	BWVIDCNGGRXBHR-UHFFFAOYSA-N	238.334	3.406	0	50	BGAA	
Fc1ccc(Br)c2ncccc12	38537180	OUZLPGJFGCOKJJ-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
CC[C@H](NC(=O)C(C)(C)C)c1ccc(OC)cc1	60640888	GIUMJOHCULADMP-ZDUSSCGKSA-N	249.354	3.309	0	50	BGAA	
COc1cccc2nccc(Br)c12	95935550	YVSWTMODPAGYGD-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
Clc1cc2c(cc1Br)OCC2	116886523	YYFBIHVBSBTHGX-UHFFFAOYSA-N	233.492	3.037	0	50	BGAA	
CC(C)(C)c1cc(F)c(N)c(Br)c1	143655997	LPDHADZUFOGQQC-UHFFFAOYSA-N	246.123	3.468	0	50	BGAA	
Fc1ccccc1OCCNC[C@@H]1CC=CCC1	346728029	BBPXHDZARJMAHB-CYBMUJFWSA-N	249.329	3.150	0	50	BGAA	
CC(C)C(=O)Nc1ccccc1C(F)(F)F	29781	LOMOXRTYAVAHDR-UHFFFAOYSA-N	231.217	3.300	0	50	BGAA	
Cc1ccc(NC(=O)Nc2cc(C)ccn2)cc1	291251	BWURNNPBHVKGBX-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1occc1C(=O)Nc1ccc(Cl)cc1	473589	YURTZHJFMBUWGO-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
O=C(Nc1ccccn1)Nc1ccccc1Cl	845732	QRAHEWRKNBRVDF-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	
Cc1ccccc1Oc1cccc(C(=O)O)c1	2513123	ABEYEGNTRDVDCR-UHFFFAOYSA-N	228.247	3.486	0	50	BGAA	in-vitro
CCOc1ccc2ccc(OCC)c(C=O)c2c1	4833413	CMMWLCMLMMXALF-UHFFFAOYSA-N	244.290	3.450	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)CCc1ccccc1	5953956	QAGBRBUOEZYEMY-OAHLLOKOSA-N	245.366	3.410	0	50	BGAA	
Clc1ccc(S[C@@H]2CCCNC2)cc1	15020944	QMPCXJUTUMFBQB-LLVKDONJSA-N	227.760	3.184	0	50	BGAA	in-vitro
Fc1c[nH]c2cccc(Br)c12	114704218	ZOFFOMXCMHIBOI-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
CC[C@@H]1CCC[C@H]1N[C@@H](C)c1ccccn1	159361890	PFNKOELXWPCNEL-OUCADQQQSA-N	218.344	3.311	0	50	BGAA	
N[C@@H](C(F)(F)F)C12CC3CC(CC(C3)C1)C2	196001488	BMUSVPVYXZMATB-IYGUQASQSA-N	233.277	3.092	0	50	BGAA	
Fc1c(Br)cccc1C1CC1	675054229	QPWJYAGXCYDDCQ-UHFFFAOYSA-N	215.065	3.466	0	50	BGAA	
C=CC(=O)N1CCc2ccc(Cl)cc2[C@H](C)C1	863971173	HRSDVYGZIXNBEH-SNVBAGLBSA-N	249.741	3.014	0	50	BGAA	
Cc1cc(Oc2cccnc2)nc(C2CCC2)n1	891564779	CAUJFCOHCVFXHF-UHFFFAOYSA-N	241.294	3.240	0	50	BGAA	
CNc1cc(C)c2cc3c(cc2n1)CCC3	1529101381	HCURJZJFLTUEAT-UHFFFAOYSA-N	212.296	3.074	0	50	BGAA	
COc1ccc(-c2cn3cc(C)ccc3n2)cc1	154229	NMWAPJFAOYBCIU-UHFFFAOYSA-N	238.290	3.318	0	50	BGAA	
CC(C)=CCOc1ccc2c(C)cc(=O)oc2c1	388777	BPVMLVDKAOJOIS-UHFFFAOYSA-N	244.290	3.446	0	50	BGAA	biogenic
FC(F)Oc1cccc(Br)c1	2560134	NWBDGKNKAFGQQL-UHFFFAOYSA-N	223.016	3.051	0	50	BGAA	in-vitro
CCCOc1ccc2c(C)c(C)c(=O)oc2c1	2814048	QKBLNFVLRSVFCD-UHFFFAOYSA-N	232.279	3.199	0	50	BGAA	biogenic
Cc1ccc(NC(=O)NCc2cccs2)cc1	2891063	GIGFNUVBGXJWSI-UHFFFAOYSA-N	246.335	3.378	0	50	BGAA	
c1ccc([C@@]23CCCC[C@@H]2CCCN3)cc1	6116353	QEXADSRMRUUCQJ-CABCVRRESA-N	215.340	3.456	0	50	BGAA	
Cc1cnn(C(=O)C23CC4CC(CC(C4)C2)C3)c1	6790103	JTYMOAFGABYVJS-UHFFFAOYSA-N	244.338	3.048	0	50	BGAA	
CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)cc1C	13746238	QZBGLPBRODKJIJ-OLZOCXBDSA-N	248.370	3.462	0	50	BGAA	
CC[C@H](C)NC(=O)N[C@H](CC)c1ccccc1	13746252	KXWPOOLSPYMSSF-WCQYABFASA-N	234.343	3.235	0	50	BGAA	
CCC[C@H](C)c1nc2ccc(C(=O)O)cc2[nH]1	37400823	VHTNAEYFGXHODS-QMMMGPOBSA-N	232.283	3.165	0	50	BGAA	
Cc1c(Br)ccc(F)c1F	63866931	YXTCBTSPHSNDHD-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
CC(=O)c1ccc(-c2ccc3[nH]ccc3c2)nc1	67725102	HTSMQDZAFVMUOO-UHFFFAOYSA-N	236.274	3.433	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cc(Cl)ncc1F	95616366	BMGCIYPWZVRMRW-UHFFFAOYSA-N	246.669	3.221	0	50	BGAA	in-vitro
CCCCn1cc(C(=O)O)c2c(OC)cccc21	117847081	GWMQLWDSXIUTRN-UHFFFAOYSA-N	247.294	3.148	0	50	BGAA	
Cc1n[nH]c(C)c1NC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	248586379	RAWUTGHIQABYDX-GDGBQDQQSA-N	249.358	3.037	0	50	BGAA	
Cc1ccc(S[C@@H](C)C(=O)NC2CCC2)cc1	337323746	SOLCUIPUAWDPFY-NSHDSACASA-N	249.379	3.144	0	50	BGAA	
C[C@H](NC(=O)c1ccsc1)C1=CCCCC1	670434591	DRIOXFLSRVRFNN-JTQLQIEISA-N	235.352	3.367	0	50	BGAA	
C=CC(=O)N(C(C)C)[C@H](C)c1ccsc1	1875374761	DMGJIWLCMHIKBB-SNVBAGLBSA-N	223.341	3.232	0	50	BGAA	
O=C(O)c1cccc(-c2cccc(F)c2)c1	2574074	MZZYPWIFSCZUHN-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
CCC[C@@]1(c2cccc(OC)c2)C[C@@H](C)N(C)C1	3640416	FQHBZOZTHKHSBP-CZUORRHYSA-N	247.382	3.457	0	50	BGAA	
C[C@@H]1CC[C@@H](c2c[nH]c3ccccc23)N1C	5735763	LQPZPKOXKQFSPK-YGRLFVJLSA-N	214.312	3.323	0	50	BGAA	
CC(C)(C)c1ccccc1NC(=O)[C@H]1CCCO1	12381767	CTVLOFGNSKERSQ-CYBMUJFWSA-N	247.338	3.102	0	50	BGAA	
COC(=O)c1cc(F)ccc1-c1ccccc1	74938287	YACAUOKBAYORPF-UHFFFAOYSA-N	230.238	3.279	0	50	BGAA	in-vitro
Cc1nn(-c2ccccc2)c2c1[C@@H]1[C@@H](C2)C1(C)C	104154812	RAKGIIJILSWJIO-DOMZBBRYSA-N	238.334	3.476	0	50	BGAA	
CCC1(C)CCN(C(=O)[C@]23CCC[C@H]2C3)CC1	335189963	AXWGNUOOTQUOMH-WFASDCNBSA-N	235.371	3.215	0	50	BGAA	
CN(C)Cc1cccc(-c2ccc(F)c(N)c2)c1	1243455125	KRJGLXQYNHSYRX-UHFFFAOYSA-N	244.313	3.137	0	50	BGAA	
Fc1ccc(Nc2cc(C3CC3)ncn2)cc1	1639174270	CHRHPBQCBRDJKD-UHFFFAOYSA-N	229.258	3.237	0	50	BGAA	
Fc1ccc(-c2cnc3cnccn23)c(Cl)c1	2356164894	LAHZDURUVBTVCH-UHFFFAOYSA-N	247.660	3.189	0	50	BGAA	
c1ccc(Cn2cnc3ccccc32)cc1	167633	MNEIJGDSFRHGMS-UHFFFAOYSA-N	208.264	3.085	0	50	BGAA	in-vitro
CN(C(=O)Nc1ccccc1)c1ccccc1	396489	RLGZENVXTXVWJN-UHFFFAOYSA-N	226.279	3.355	0	50	BGAA	biogenic
CCOC(=O)/C=C(\C)Nc1cccc(Cl)c1	2161853	FITNNHVLIQBMOZ-VQHVLOKHSA-N	239.702	3.219	0	50	BGAA	
CCCCc1ccc(-c2cc(N)n[nH]2)cc1	4234696	JGHCVWYUKYDOAF-UHFFFAOYSA-N	215.300	3.002	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)n1ccc2cc(C=O)ccc21	21987425	KDMYWOVAHWERQN-UHFFFAOYSA-N	245.278	3.237	0	50	BGAA	
CSc1cnc(Cl)c(C(F)(F)F)c1	95616442	ZWSQHAFFLXGYDD-UHFFFAOYSA-N	227.638	3.476	0	50	BGAA	in-vitro
Cc1cc(-c2noc(C3CCC3)n2)ccc1F	109557923	OUWGEKMNEZFNRV-UHFFFAOYSA-N	232.258	3.452	0	50	BGAA	
Fc1ccc2ccncc2c1Br	144561111	GDQIFFRWCFFSKB-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
O=Cc1ccc(Cl)n1Cc1ccccc1	196155908	VYGUTOCEVYCZNY-UHFFFAOYSA-N	219.671	3.002	0	50	BGAA	
CC(C)(C)OC(=O)c1c(F)ccc(N)c1Cl	583650880	MBKHQZJYXOHDGK-UHFFFAOYSA-N	245.681	3.017	0	50	BGAA	
Cc1cccc([C@H](C)N[C@@H](C)c2cc[nH]n2)c1C	2325742649	JDGHCEZUWLMATD-STQMWFEESA-N	243.354	3.438	0	50	BGAA	
CCOC(=O)N1c2ccccc2C=C[C@@H]1OCC	56462	GKQLYSROISKDLL-ZDUSSCGKSA-N	247.294	3.039	0	50	BGAA	in-vitro
Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3	200896	SWBDIHXOLXVPJG-UHFFFAOYSA-N	244.290	3.076	0	50	BGAA	biogenic
CC(=O)c1ccccc1C(=O)c1ccccc1	336592	SEXKDZSOKXPFFH-UHFFFAOYSA-N	224.259	3.120	0	50	BGAA	
Cc1ccc(NC(=O)NCc2ccco2)cc1C	397173	MZRQSRQOWOQELX-UHFFFAOYSA-N	244.294	3.218	0	50	BGAA	
FC1(F)C(F)(F)[C@@](F)(Cl)[C@]1(F)Cl	2040756	LMHAGAHDHRQIMB-JCYAYHJZSA-N	232.938	3.080	0	50	BGAA	in-vitro
O=C(O)c1cc2c(c3c1CCCC3)CCCC2	5339085	RXYPAUUNBPXTNH-UHFFFAOYSA-N	230.307	3.142	0	50	BGAA	
O=Cc1c[nH]nc1-c1ccc(Cl)c(Cl)c1	8306764	JWIFLTDLSUPDEX-UHFFFAOYSA-N	241.077	3.196	0	50	BGAA	
CCOC(=O)c1cc2cc(Cl)cc(C)c2[nH]1	15202689	SJRZGOYZIYIJQZ-UHFFFAOYSA-N	237.686	3.306	0	50	BGAA	
C[C@@H]1CCC[C@@H](Nc2ccccc2C(=O)O)C1	36891536	DAYHSSLFIGVUKJ-GHMZBOCLSA-N	233.311	3.375	0	50	BGAA	
NC1=Nc2ccccc2[C@@H](c2ccccc2)S1	39602980	RBWRQOWMMKMFQO-CYBMUJFWSA-N	240.331	3.469	0	50	BGAA	
Fc1ccc(F)c(C(F)(F)F)c1F	63361016	BGHUARSWVAZFNQ-UHFFFAOYSA-N	200.081	3.123	0	50	BGAA	
O=C(O)c1cc(-c2ccc(Cl)cc2)ccn1	65347569	STMWJUORSCVRKH-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
Cc1ccc(-c2ccc(N)nc2)c(Cl)c1	85476710	STCJCUAGLRIXBW-UHFFFAOYSA-N	218.687	3.293	0	50	BGAA	in-vitro
Cc1cc2c(Br)ccc(F)c2[nH]1	238495883	PBGGXUWDYPOXMY-UHFFFAOYSA-N	228.064	3.378	0	50	BGAA	
C/C=C/C=C/C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	249234669	LZTOFYAWHJFUNN-PAZIHEMVSA-N	247.382	3.450	0	50	BGAA	
N=c1ccnc(-c2cccc(-c3ccccc3)c2)[nH]1	426359096	QHUDYBFZXIRPPU-UHFFFAOYSA-N	247.301	3.223	0	50	BGAA	
CCCC[C@@H]1C=CCN1C(=O)c1cc(C)oc1C	1506398557	DRDUDBPVBJSFEO-CYBMUJFWSA-N	247.338	3.467	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)Nc1cccc(F)c1	400190	RPFQYIQKBZDRAN-SNVBAGLBSA-N	236.290	3.232	0	50	BGAA	
CCCCOc1ccc(C=O)cc1OCC	1792315	GVCSYUPPGUVAPK-UHFFFAOYSA-N	222.284	3.077	0	50	BGAA	in-vitro
Cc1ccc([C@H](C)NC(=O)c2ccco2)c(C)c1	6741683	FSIFADGKTUMNOO-LBPRGKRZSA-N	243.306	3.387	0	50	BGAA	
Cc1ccnc(NC(=O)c2sccc2C)c1	12499457	LDBJPFAVVUMNJM-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
CSc1ccccc1C(=O)Nc1ccccn1	12545052	QJEWAFIGYUZOJF-UHFFFAOYSA-N	244.319	3.056	0	50	BGAA	
OC1=NC(=S)S/C1=C\c1ccccc1F	16972307	PPZBKJKFBVRKKK-YVMONPNESA-N	239.296	3.155	0	50	BGAA	
c1ccc([C@H]2C[C@H]3C[C@@H](c4ccco4)N2O3)cc1	103032041	BTDMDCMAYSCHMS-MJBXVCDLSA-N	241.290	3.472	0	50	BGAA	
COc1ccc2cnc(Cl)nc2c1C(C)C	147359967	ISGQKGFCFZFYTD-UHFFFAOYSA-N	236.702	3.415	0	50	BGAA	
CC(C)c1cc(NC(=O)[C@H]2CCC[C@@H](C)C2)[nH]n1	175697250	OQNYRMOCSRCJIT-MNOVXSKESA-N	249.358	3.298	0	50	BGAA	
CCN(CC)c1ccc(NC(=O)C(C)C)cc1	146480	YFAUXYURAHJHNL-UHFFFAOYSA-N	234.343	3.127	0	50	BGAA	
CCCC(=O)Nc1ccccc1Br	146675	MZTDZSQKBXRTNL-UHFFFAOYSA-N	242.116	3.188	0	50	BGAA	
C[C@@H](NC(=O)c1ccco1)c1ccc(Cl)cc1	356940	QWRJAEFPQDCKTA-SECBINFHSA-N	249.697	3.424	0	50	BGAA	
Cc1ccc(-c2ccccc2C(=O)O)cc1	403118	ZSTUEICKYWFYIC-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	biogenic,in-vitro
CCOc1ccccc1C(=S)N1CCCCC1	515490	VCCSHVVRGWMKDC-UHFFFAOYSA-N	249.379	3.247	0	50	BGAA	
CC(C)OP(=O)(OC(C)C)OC(C)C	1678071	OXFUXNFMHFCELM-UHFFFAOYSA-N	224.237	3.370	0	50	BGAA	in-vitro
CCCCc1ccc(NC(=O)OC)cc1	2773967	SPPFBNMAZMWLEL-UHFFFAOYSA-N	207.273	3.208	0	50	BGAA	
CCCCC1=Cc2ccccc2[C@H]1NC(C)=O	5711590	MKTCAHLRNGAJAB-HNNXBMFYSA-N	229.323	3.451	0	50	BGAA	
CC(C)NC(=O)CCc1ccc(C(C)C)cc1	10336529	MHADLLWAFSHRLO-UHFFFAOYSA-N	233.355	3.267	0	50	BGAA	
C[C@@]12N[C@@H](Cc3ccccc31)c1ccccc12	26011425	LBOJYSIDWZQNJS-JKSUJKDBSA-N	221.303	3.151	0	50	BGAA	in-vitro
Cc1ccc2ccc(Br)cc2n1	26474836	VEKOCCXFMXGRTF-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Cc1cccc2c(Cl)nc(Cl)nc12	26899368	XCIWNFKPROTKHB-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	
O=C(O)c1ccc2cc(-c3ccccc3)cn2c1	33815787	SDKMZQLLHDLPGL-UHFFFAOYSA-N	237.258	3.305	0	50	BGAA	
C[C@@H](Nc1nccc(Cl)n1)c1ccccc1	196296093	DDEUEAYOTPLDPU-SECBINFHSA-N	233.702	3.303	0	50	BGAA	
CCCC[C@H]1C=CCN1Cc1cnn(C(C)C)c1	215167363	GZCIQTGDYDJSOW-HNNXBMFYSA-N	247.386	3.395	0	50	BGAA	
Brc1ccc([C@H]2CC=CCO2)cc1	216026062	DYZBBSBAKBTDPW-LLVKDONJSA-N	239.112	3.467	0	50	BGAA	
CC[C@H](c1ccccc1)N1CC[C@@H](CN(C)C)C1	229684853	DDGIMTGAPGCBRK-GOEBONIOSA-N	246.398	3.021	0	50	BGAA	
Cc1cc(F)c(OC(F)(F)F)cc1F	263623505	IAVPGFKXDIXWSY-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
CC[C@]12C[C@@H]1CN(c1nccc3ccccc13)C2	1772811346	SZBVHFICTQEIRK-CZUORRHYSA-N	238.334	3.471	0	50	BGAA	
COc1ccc2nc(Br)sc2c1	11920187	YNONWDJSSPJFBQ-UHFFFAOYSA-N	244.113	3.067	0	50	BGAA	in-vitro
CCc1ccc(CN(C)CCN(CC)CC)cc1	19636461	WCGUMEXYEWXJRF-UHFFFAOYSA-N	248.414	3.023	0	50	BGAA	
FC(F)(F)Oc1ccc2cc[nH]c2c1	26894087	DODJNBPQUZSJKO-UHFFFAOYSA-N	201.147	3.067	0	50	BGAA	
Cc1cc(C=O)cc(-c2ccc(F)nc2)c1	40449943	MUAAIOAJDZTJRL-UHFFFAOYSA-N	215.227	3.009	0	50	BGAA	
O=Cc1cc(F)c(Br)cc1Cl	85210272	XPEGZWLIWARWAA-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	in-vitro
CCCCOc1cccc(NC(=O)N2CCC2)c1	97604093	ZUTVGNAGBJHYFQ-UHFFFAOYSA-N	248.326	3.103	0	50	BGAA	
Cc1occc1SCCOC(C)C	131327116	INUVTIGBBNIIAG-UHFFFAOYSA-N	200.303	3.105	0	50	BGAA	
C[C@H](Nc1ncncc1Cl)c1ccsc1	163610578	REZHRQYQRQDAPP-ZETCQYMHSA-N	239.731	3.365	0	50	BGAA	
COc1c(Br)ccc2ncccc12	306633125	QIBAQGIUVQWRKA-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
Fc1cccc2ncc(-c3ccccn3)cc12	1857735948	DNWGGFOQABICOB-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
COc1cccc(-c2ocnc2CC2CC2)c1O	2356168975	QVFLZJVLUVBVGO-UHFFFAOYSA-N	245.278	3.008	0	50	BGAA	
O=C(O)c1ccccc1NCCc1ccccc1	1355	HLNLBEFKHHCAMV-UHFFFAOYSA-N	241.290	3.039	0	50	BGAA	in-man
Fc1cccc(Cl)c1CNCc1ccco1	268549	AECKFDYZTSBRNT-UHFFFAOYSA-N	239.677	3.362	0	50	BGAA	
Cc1cc(C)c(NC(=O)C(C)C)c(C)c1	362258	NLPZCFBEBANICF-UHFFFAOYSA-N	205.301	3.206	0	50	BGAA	
CC(C)c1ccc(NC(=O)N2CCCC2)cc1	392890	GUDDEDYJEVVMKC-UHFFFAOYSA-N	232.327	3.438	0	50	BGAA	
O=Cc1nc(-c2ccccc2Cl)cs1	2582750	DRPRJACJPMGESZ-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	
Cc1ccc(C)n1[C@@H](CC(=O)O)c1ccsc1	3880945	YJAWOHTVPDBMKW-LBPRGKRZSA-N	249.335	3.231	0	50	BGAA	
Cc1ccccc1C1(c2ccccc2)OCCO1	4825641	FPDVOUSXXMREAY-UHFFFAOYSA-N	240.302	3.243	0	50	BGAA	
CCOC(=S)SCc1ccccc1	5334139	VZERTPFKMKYOGV-UHFFFAOYSA-N	212.339	3.241	0	50	BGAA	
CCCCOc1cccc(C(=O)N[C@H](C)CC)c1	10120515	WTOPINWXNFCLTP-GFCCVEGCSA-N	249.354	3.394	0	50	BGAA	
Nc1ccc(-c2nnc(-c3cccs3)o2)cc1	19771835	YZLQWLFPXRDMMT-UHFFFAOYSA-N	243.291	3.047	0	50	BGAA	
Cc1ccc(NC(=O)OC(C)(C)C)cc1O	38337544	DXXABMONDYMFCC-UHFFFAOYSA-N	223.272	3.048	0	50	BGAA	in-vitro
O=C(O)c1cc(F)cc(-c2ccc(F)cc2)c1	47204154	AOESPRFGWJYJER-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
C[C@H](N[C@@H]1CCC[C@@H](C2CC2)C1)c1cnccn1	221707653	JSFOACWPGZYKDG-IACUBPJLSA-N	245.370	3.096	0	50	BGAA	
CCOC(=O)c1cc2cc(Cl)cc(F)c2[nH]1	260657926	HFBSVXMAYVSVIR-UHFFFAOYSA-N	241.649	3.137	0	50	BGAA	in-vitro
CCc1ccc(CN[C@H]2CC[C@H]2C)s1	308472964	CLWUVWFZHZQQHW-SKDRFNHKSA-N	209.358	3.199	0	50	BGAA	
CNC(=O)c1ccc(/C=C/C2CCCCC2)o1	426399175	HHVKZWMVOSGPGK-BQYQJAHWSA-N	233.311	3.233	0	50	BGAA	
CCOC(=O)c1cc2cc(Cl)ccc2o1	90978	KTBFFSXNFOOSEH-UHFFFAOYSA-N	224.643	3.263	0	50	BGAA	
O=C(c1ccccc1)N1CCC[C@H]2CCCC[C@@H]21	190495	QUQKAXPIRYDMHC-HIFRSBDPSA-N	243.350	3.481	0	50	BGAA	
CCCc1ccc(-c2csc(N)n2)cc1	442800	MWWKFIPFFAXPGN-UHFFFAOYSA-N	218.325	3.345	0	50	BGAA	in-vitro
Cc1ccc(-c2csc(C=O)n2)c(C)c1	3676331	JRCMCNLZDWPZTJ-UHFFFAOYSA-N	217.293	3.239	0	50	BGAA	in-vitro
CCN(CC)C(=O)C12CC3CC(CC(C3)C1)C2	4829678	ZQWHHCSEGLAVTC-UHFFFAOYSA-N	235.371	3.071	0	50	BGAA	
Cc1ccccc1[C@@H](C)NC(=O)C(C)(C)C	32978723	QYJFLUDRVKPSFN-LLVKDONJSA-N	219.328	3.218	0	50	BGAA	
CCCCCC[C@](C)(C(=O)O)N1CCCCC1	37361957	HJSICQOHDUAQEO-CQSZACIVSA-N	241.375	3.286	0	50	BGAA	
Brc1ccc(COCC2CC2)cc1	49601089	UIMSMCPIZJYSST-UHFFFAOYSA-N	241.128	3.376	0	50	BGAA	in-vitro
Fc1ccc2[nH]cc([C@H]3CCCOC3)c2c1	255187017	ARNSJGSKFDYDKW-VIFPVBQESA-N	219.259	3.201	0	50	BGAA	
C[C@H]1CC[C@@H](c2nc(Cc3cncs3)no2)C1	330093347	ZQMJOVOJYQXSFI-DTWKUNHWSA-N	249.339	3.021	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)Nc1ccccc1	139359	XNBMBSOLUXCLAG-CYBMUJFWSA-N	232.327	3.483	0	50	BGAA	
COc1cc2cccc(C)c2cc1OC	398938	XKNDQNYCLSMQKA-UHFFFAOYSA-N	202.253	3.165	0	50	BGAA	
CN(C)c1ccc([C@@H](O)Cc2ccccc2)cc1	400134	ZXHOCPXISPWEFD-INIZCTEOSA-N	241.334	3.029	0	50	BGAA	
O=C(O)c1ccc(Oc2ccc(F)cc2)cc1	2382444	YYKALFXKRWCSLY-UHFFFAOYSA-N	232.210	3.316	0	50	BGAA	in-vitro
CCN(CC)CCCOc1cccc(C)c1C	2497608	ZHKBVCXVTBWGQW-UHFFFAOYSA-N	235.371	3.414	0	50	BGAA	
O=Cc1cccc(SC(F)(F)F)c1	2560225	MMDFTYGZZLJQER-UHFFFAOYSA-N	206.188	3.111	0	50	BGAA	in-vitro
Cc1ccc(C(=O)Nc2ccccc2Cl)o1	5618462	LRGOKNXJTRDPFS-UHFFFAOYSA-N	235.670	3.494	0	50	BGAA	
C[C@@H]1C[C@H](NC(=S)S)CC(C)(C)C1	6437954	GNNUYEDIHBJJLE-SFYZADRCSA-N	217.403	3.006	0	50	BGAA	
CCCCCc1cc(OC)cc(OC)c1	14649509	LSPSEUBXQFHRGA-UHFFFAOYSA-N	208.301	3.437	0	50	BGAA	in-vitro
O=C1CCC(Sc2ccccc2)CC1	34077570	PRQKXGHMWIQDCX-UHFFFAOYSA-N	206.310	3.290	0	50	BGAA	
Fc1ccc(Cl)c(F)c1Br	66318912	STPUUBCHYCYFBQ-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
CC1(C)C[C@@]2(C)CC=C[C@@]23[C@H]1C=C[C@@]3(C)O	71786159	XXZDMCQDPKQKSW-ZGKBOVNRSA-N	218.340	3.306	0	50	BGAA	
Brc1ccccc1OC1CCC1	96029203	KZNPAENULHRFLO-UHFFFAOYSA-N	227.101	3.380	0	50	BGAA	in-vitro
COc1ccc(OC)c2c1[C@H]1C=C[C@H]2[C@H]2C=C[C@@H]21	101037113	FUSGIAVRWSPRGL-BJDJZHNGSA-N	240.302	3.257	0	50	BGAA	
Cc1cncc(NCc2ccc(F)cc2)c1	119618768	IUWOCHMHZQYZJO-UHFFFAOYSA-N	216.259	3.141	0	50	BGAA	
Fc1cncc(-c2ccc3cc[nH]c3c2)c1	793368171	GTPUMSYWDPLXMU-UHFFFAOYSA-N	212.227	3.369	0	50	BGAA	
Cc1ccc(NC(=O)c2ccccc2)cc1F	38651	JNADMABTRQLQPQ-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
O=c1oc2c(-c3ccccc3)cc(O)cc2s1	226279	GCYISWXUCYMBSW-UHFFFAOYSA-N	244.271	3.227	0	50	BGAA	
Cn1c2ccccc2n2cc(C(C)(C)C)nc12	228269	CRUHNUKQMVBJGU-UHFFFAOYSA-N	227.311	3.124	0	50	BGAA	
Cc1ccccc1C(=O)Oc1ccccc1	399888	MLBAJOWFHHXRJP-UHFFFAOYSA-N	212.248	3.214	0	50	BGAA	
COc1ccccc1-c1ccc(C=O)cc1	2382455	CFGCKFDEJVKBCY-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	in-vitro
COc1ccc(CNC2CCCCC2)c(OC)c1	4661909	LORGUVNNLNEAGO-UHFFFAOYSA-N	249.354	3.126	0	50	BGAA	
COc1ccc(C[C@H](C)NCc2ccco2)cc1	23282638	PRMMWMJURSAYBN-LBPRGKRZSA-N	245.322	3.009	0	50	BGAA	
Cc1cccc2c(Cl)nnc(Cl)c12	82048610	SYLVRLGENAJCHB-UHFFFAOYSA-N	213.067	3.245	0	50	BGAA	
Cc1cscc1NC(=O)C1(CF)CCC1	335408871	MNYRPOBPSDPDID-UHFFFAOYSA-N	227.304	3.135	0	50	BGAA	
Cc1ccnc(N2CCC[C@H]2c2cccnc2)c1	336057716	GKPRZMIDZOAUSK-AWEZNQCLSA-N	239.322	3.127	0	50	BGAA	
C=Cc1ccc(-c2cncc(OC)c2)cc1	725241295	JNDSKEVDHQNPBL-UHFFFAOYSA-N	211.264	3.400	0	50	BGAA	
COc1cc(C2=CCOCC2)nc2ccsc12	1875339987	GOZCPOQAGDSLAX-UHFFFAOYSA-N	247.319	3.109	0	50	BGAA	
C[C@H]1CCCCN1C(=O)c1ccccc1Cl	29153	YODXMLSIQUVJGG-JTQLQIEISA-N	237.730	3.355	0	50	BGAA	
CCOC(=O)c1cc(-c2ccccc2)sc1N	84129	WIVNPGXPJBBZQH-UHFFFAOYSA-N	247.319	3.174	0	50	BGAA	in-vitro
O=C(NC1CCCCCC1)C1CCCC1	474701	HPIOUWZLFGXVAM-UHFFFAOYSA-N	209.333	3.016	0	50	BGAA	
CC(C)(C)[C@@H]1C[C@@H](O)[C@H](C(C)(C)C)CC1=O	2024082	MYTXIWKHHYPWKB-GMTAPVOTSA-N	226.360	3.035	0	50	BGAA	
O=C1c2ccccc2C[C@H]1c1ccccc1	2031866	OCLCRYNZYRSURW-AWEZNQCLSA-N	208.260	3.209	0	50	BGAA	
O=C(CC(=O)c1ccccc1)c1ccccc1	4530702	NZZIMKJIVMHWJC-UHFFFAOYSA-N	224.259	3.142	0	50	BGAA	aggregator,biogenic,in-vitro
CCCCNC(=O)C12CC3CC(CC(C3)C1)C2	5614979	YDRGHKXNXAMLKY-UHFFFAOYSA-N	235.371	3.119	0	50	BGAA	
Cc1cc(C=O)c(C)c(CN2CCCC[C@H]2C)c1	19094338	GIJVMIAPQDLJQR-CYBMUJFWSA-N	245.366	3.490	0	50	BGAA	
COc1ccc(C[C@H](C)NC2CCCC2)cc1	23283456	AGJVFFWLIVKFAZ-LBPRGKRZSA-N	233.355	3.158	0	50	BGAA	
COC(=O)c1ccc(-c2ccc(F)cc2)cc1F	97757279	DQHOJJNBEYHXPU-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
COc1cc(Cl)cc(Br)c1F	217106136	KHCIMAIKLAJEKC-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
NCc1cc(Cl)c(Cl)cc1OC(F)F	263624514	RFPMLYGHBRPVLR-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
CC(C)n1ccnc1-c1cccc2c1OCC2	426550343	BMLBLGTUWNDOLI-UHFFFAOYSA-N	228.295	3.066	0	50	BGAA	
O=C(O)c1cc2c(s1)-c1ccccc1CC2	69806	IGBRCZHGFVMFCR-UHFFFAOYSA-N	230.288	3.212	0	50	BGAA	in-vitro
O=C(O)c1ccc([C@@H]2CC2(Cl)Cl)cc1	107866	YEFQPTMMFJKPDU-QMMMGPOBSA-N	231.078	3.046	0	50	BGAA	
O=C1N[C@@H](c2ccccc2)[C@@H](c2ccccc2)O1	396148	LTENIVFVXMCOQI-UONOGXRCSA-N	239.274	3.209	0	50	BGAA	in-vitro
O=C(NC1CCCCC1)C1CCCCC1	586784	IUTRXWNRCBITFD-UHFFFAOYSA-N	209.333	3.016	0	50	BGAA	
O=C(Cc1cccc(F)c1)c1ccccc1	2392961	UQGKOVXIHKXNPZ-UHFFFAOYSA-N	214.239	3.251	0	50	BGAA	
Cc1[nH]c(C(=O)OC(C)(C)C)c2c1CCCC2	2519487	XSZSORKPNWXDBP-UHFFFAOYSA-N	235.327	3.157	0	50	BGAA	
O=CC(=O)c1ccc(C2CCCCC2)cc1	2524863	RYGJINMGOUIPDN-UHFFFAOYSA-N	216.280	3.116	0	50	BGAA	
Cc1ccccc1-c1cccc(C(=O)O)c1	2574056	IAZJDWZUCUHVPQ-UHFFFAOYSA-N	212.248	3.360	0	50	BGAA	
Cc1ccc(OCCN2CCCCC2)c(C)c1	4989794	YOXUYHMKBAQKKH-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
O=C(Nc1ccccc1F)NC1CCCCC1	6336820	IVLBTNGZKYESQU-UHFFFAOYSA-N	236.290	3.280	0	50	BGAA	
Cc1ccc(-c2nc3ccc(N)cc3o2)cc1	9668750	KSCYZXMDYMQQMW-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
Cc1ccc(Br)c2ncccc12	39110393	PKRAUXDALIFLEC-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CCCC(=O)N(Cc1ccncc1)[C@@H](C)CC	55269737	AXFVGSDHETTXAQ-LBPRGKRZSA-N	234.343	3.009	0	50	BGAA	
Cc1nc(C)c([C@H]2CCCCN2)c(C)c1C	86022031	QWHQBEDLEOBZDV-CYBMUJFWSA-N	218.344	3.130	0	50	BGAA	
COC(=O)c1ccccc1-c1cccc(OC)c1	97757020	DLVFBIKYDMBDKB-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
C=C(C)C(=O)Oc1ccc(O)c2ccccc12	150084598	WZAHBKNHKAFCNM-UHFFFAOYSA-N	228.247	3.027	0	50	BGAA	
COCCOc1c(Cl)ccc(Cl)c1F	261494357	VQQKOTZUDNCCKS-UHFFFAOYSA-N	239.073	3.158	0	50	BGAA	
Cc1cc(C=O)ccc1-c1ccccc1C(=O)O	725271981	LBPBEASVBGMQHY-UHFFFAOYSA-N	240.258	3.173	0	50	BGAA	
CC(C)(C)CCOC(=O)/C=C/c1cccc(O)c1	753458555	BIJJGTONEIPTHY-BQYQJAHWSA-N	248.322	3.385	0	50	BGAA	
O=S(Cc1ccccc1)Cc1ccccc1	13562	HTMQZWFSTJVJEQ-UHFFFAOYSA-N	230.332	3.136	0	50	BGAA	biogenic,in-vitro
Cc1ccc([C@H](C)NC(=O)c2ccccc2)cc1	295666	PNADJAIHEACYHD-ZDUSSCGKSA-N	239.318	3.486	0	50	BGAA	
Cc1ccc(/C=C/[N+](=O)[O-])cc1Br	474239	WDZNOLKXNDQGCP-SNAWJCMRSA-N	242.072	3.005	0	50	BGAA	
CCCNC(=O)Nc1cc(Cl)ccc1C	2171016	BUSHBWWKDKZLDG-UHFFFAOYSA-N	226.707	3.180	0	50	BGAA	
CC(C)c1cc(C(=O)O)c2cc(F)ccc2n1	2456137	FGNVMVCNKBCCLA-UHFFFAOYSA-N	233.242	3.196	0	50	BGAA	
O=[S@](C1=CCCCC1)c1ccccc1	38283735	LPPISIUWYPHOQS-CQSZACIVSA-N	206.310	3.252	0	50	BGAA	
CCCCC[S@@](=O)C1CCCCC1	191192632	BKXISISSFMDWKE-CYBMUJFWSA-N	202.363	3.258	0	50	BGAA	
CCCCSc1ncc(Cl)cn1	261493574	DWXZAIQHAIVIMR-UHFFFAOYSA-N	202.710	3.022	0	50	BGAA	
Cc1ccc(Nc2cc(C3CC3)ncn2)cc1	1306914294	QFTAVFNPMFGOBC-UHFFFAOYSA-N	225.295	3.406	0	50	BGAA	
Cc1nnc(-c2ccc3sc(C)nc3c2)s1	1875250744	DGVSBBLLXDCASS-UHFFFAOYSA-N	247.348	3.432	0	50	BGAA	
C=CC(=O)N[C@H]1CCC[C@@H]1CCc1ccccc1	1875376354	UENRUMDWVWKEJI-CABCVRRESA-N	243.350	3.090	0	50	BGAA	
C[C@@H](CCc1ccc(O)cc1)NC1CCCC1	227106	NKGQCZVMMMZKLK-LBPRGKRZSA-N	233.355	3.246	0	50	BGAA	
CCCC(=O)Nc1c(C)cccc1CC	310185	VFDISZVFEXOTRM-UHFFFAOYSA-N	205.301	3.296	0	50	BGAA	
CCC(=O)[C@H](CC)c1cccc(OC)c1	393742	APOLAIBEAIHBSO-GFCCVEGCSA-N	206.285	3.168	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)N2CCCC[C@H]2C)c1	401904	LHTIVFZVMNCVLX-GFCCVEGCSA-N	232.327	3.401	0	50	BGAA	
O=C(/C=C/c1ccc(F)cc1)NC1CCCCC1	450273	VEGSEAZQOYJGBK-DHZHZOJOSA-N	247.313	3.288	0	50	BGAA	
Cc1ccc(Oc2ccccc2CN)cc1	2513066	PPOVZAQWWRVUAE-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	in-vitro
CCCCc1cc(=O)oc2c(C)c(OC)ccc12	2998541	KMVIBTYUKXUQAB-UHFFFAOYSA-N	246.306	3.453	0	50	BGAA	biogenic
CC[C@](C)(CCC(=O)O)c1ccccc1	4789863	NWIRJGSAJHAWMN-CYBMUJFWSA-N	206.285	3.219	0	50	BGAA	
Cc1ccc2c(c1)[C@H](Cc1ccccc1)C(=O)N2	15017070	ULGWCINFMRHPTH-AWEZNQCLSA-N	237.302	3.273	0	50	BGAA	
COc1ccccc1Oc1cccc(C=O)c1	21994836	YGNWPJYYSGTPFP-UHFFFAOYSA-N	228.247	3.300	0	50	BGAA	
CCCC(CCC)N[C@H](CO)Cc1ccccc1	32592825	CCQDBZFGSSWAOY-INIZCTEOSA-N	249.398	3.148	0	50	BGAA	
Cc1cc(F)cc(Br)c1S	36533056	ITBKVQWFSQIBQN-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
CC(C)OC(=O)c1ccc(Br)s1	58817719	LVELELOTXWYCDB-UHFFFAOYSA-N	249.129	3.076	0	50	BGAA	
COc1cccc(-c2cccc3[nH]ccc23)n1	67934488	AVTXQIACLLFRTD-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	
Cc1cc2scnc2cc1Br	114453012	UTJUSEKUXZCYMD-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	
O=Cc1cn(C2CC2)c2c(Cl)cccc12	140776935	RXYIWFQXCDEAAS-UHFFFAOYSA-N	219.671	3.442	0	50	BGAA	
CCSc1ccc(Br)c(C)n1	215963904	DUQKGRVUDFTXJC-UHFFFAOYSA-N	232.146	3.265	0	50	BGAA	
COc1cccc(-c2cncn2C(C)C)c1OC	725245409	GIGYNVYFJBITGX-UHFFFAOYSA-N	246.310	3.148	0	50	BGAA	
c1csc(Cn2ccnc2-c2ccncc2)c1	1875244210	DRTXWQYZHPDMSG-UHFFFAOYSA-N	241.319	3.055	0	50	BGAA	
CCOC(=O)c1cc(Cl)cc(Cl)c1	153336	JRLNLVFPSMDPLU-UHFFFAOYSA-N	219.067	3.170	0	50	BGAA	in-vitro
O[C@H]1C[C@@H](c2ccccc2)NC2(CCCCC2)C1	163955	RXFNFESRQAGJJM-GJZGRUSLSA-N	245.366	3.175	0	50	BGAA	
COC(=O)[C@@H](C)CSc1ccc(Cl)cc1	165821	LQTPIEYMBJPFQS-QMMMGPOBSA-N	244.743	3.241	0	50	BGAA	
CCCN(Cc1ccc(O)cc1)CC1CC1	217060	HMGFMKLILBVQHB-UHFFFAOYSA-N	219.328	3.014	0	50	BGAA	
Cc1ccccc1C(=O)N(C)Cc1ccccc1	271605	WWGMRQYIAABIDX-UHFFFAOYSA-N	239.318	3.267	0	50	BGAA	
Cc1cccc(NC(=O)c2ccc(N)cc2)c1C	3628068	QFEZYTBYDFNYMR-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
O=C(Nc1cc(F)cc(F)c1)c1ccccc1	4814471	WJZMCJIPMNVLSB-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
Cc1ccc2c(C)ccc(C(=O)O)c2c1	45027567	SXIPWSVCESOPHO-UHFFFAOYSA-N	200.237	3.155	0	50	BGAA	
Oc1cc(-c2ccccc2)nn1-c1ccccc1	100431224	BWLTYPQWNLIJTE-UHFFFAOYSA-N	236.274	3.245	0	50	BGAA	
COC(=O)c1oc2cc3ccccc3cc2c1O	101174192	KHEWDYZOEOOJPT-UHFFFAOYSA-N	242.230	3.078	0	50	BGAA	
Cc1ccc(N)c(SC(F)(F)F)c1	202661542	FQBREIOTLWVPOQ-UHFFFAOYSA-N	207.220	3.189	0	50	BGAA	
Cc1nc(CN2[C@H](C)C[C@@H]3CCCC[C@H]32)oc1C	247695198	WOYDVHAKJVFTHE-DDTOSNHZSA-N	248.370	3.444	0	50	BGAA	
Cc1sc2nc(C3CCC3)nc(O)c2c1C	757124305	YBHFARYQWBDSNJ-UHFFFAOYSA-N	234.324	3.281	0	50	BGAA	
CCn1c(=S)ccc2cc(OC)ccc21	167501	XTCNECLGISWWCO-UHFFFAOYSA-N	219.309	3.399	0	50	BGAA	
COc1cc(-c2ccccc2)ccc1C=O	2525648	OSSPZRHEHZZDSX-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	in-vitro
c1ccc2sc([C@@H]3CCCCN3)nc2c1	3734756	QXJHTXUNRZNJKT-JTQLQIEISA-N	218.325	3.111	0	50	BGAA	in-vitro
Cc1cc(-c2cccc(C(=O)O)c2)ccc1F	4204256	DMRIFZLXTUSOJE-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Cc1ccc(-c2cc(C)nc(=S)[nH]2)cc1	4821249	IJTGOXQTVWQDEV-UHFFFAOYSA-N	216.309	3.423	0	50	BGAA	
COc1ccccc1CCN[C@H]1CCC[C@H](C)C1	4989459	XZXUVOKVGKVQFF-ZFWWWQNUSA-N	247.382	3.406	0	50	BGAA	
CCNCc1ccc(Cl)c(Cl)c1	6385338	DHWBKVYXMBSPIM-UHFFFAOYSA-N	204.100	3.103	0	50	BGAA	in-vitro
Cc1nn(CCC(C)C)c(C)c1Br	32916915	ZDVUWUPSJNIEAF-UHFFFAOYSA-N	245.164	3.309	0	50	BGAA	in-vitro
Cc1cc(F)c(F)c(Br)c1	65356628	IMKKOKJJCBXGFI-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	
Cc1ccc(C2(N(C)C)CCCCC2)o1	96026707	CSWAJVKFBIUVEC-UHFFFAOYSA-N	207.317	3.309	0	50	BGAA	
O=C(O)c1c(Cl)cc(Cl)c2ncccc12	142639619	VONPXNBYHCUWDQ-UHFFFAOYSA-N	242.061	3.240	0	50	BGAA	
Cc1ccc(-c2ncnc3[nH]ccc23)cc1F	143767771	LYBDRFCHJUTVSL-UHFFFAOYSA-N	227.242	3.072	0	50	BGAA	
Fc1ccc(N2CCC[C@@H]2c2ccco2)nc1	225820557	NMZJLTPXIRBWQJ-LLVKDONJSA-N	232.258	3.155	0	50	BGAA	
c1ccc2oc(-c3[nH]nc4ncccc34)cc2c1	426615343	ATHVPKAWCRBUHY-UHFFFAOYSA-N	235.246	3.371	0	50	BGAA	
Cc1cocc1C(=O)N(C)CC1(CC(C)C)CC1	1875274775	ZKBTZOZKIRTIJF-UHFFFAOYSA-N	249.354	3.486	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccccc1C	30892	UMLGEZCCDMFEJJ-NSHDSACASA-N	205.301	3.370	0	50	BGAA	
Nc1nc(-c2cccc(C(F)(F)F)c2)cs1	92643	ZZDBATBJNFVJCB-UHFFFAOYSA-N	244.241	3.411	0	50	BGAA	in-vitro
Cc1ccccc1OCc1nc2ccccc2[nH]1	99121	BNZRNEVZOMLBKN-UHFFFAOYSA-N	238.290	3.450	0	50	BGAA	
Nc1ccc2oc(-c3cccs3)nc2c1	236899	ZRSQBVAYYVOKFY-UHFFFAOYSA-N	216.265	3.139	0	50	BGAA	in-vitro
CCC(CC)C(=O)Nc1ccc(OC)cc1	384171	IQPUQYRLMUQZKO-UHFFFAOYSA-N	221.300	3.070	0	50	BGAA	
Cc1cccc(N)c1-c1c(C)cccc1N	453215	MCUUKQCKNKUMBP-UHFFFAOYSA-N	212.296	3.135	0	50	BGAA	
CC(C)(C)C1CCC(N2CCC[C@@H](O)C2)CC1	757543	ZBTCHNNANVSKLS-JXQTWKCFSA-N	239.403	3.048	0	50	BGAA	
COc1cccc(C=O)c1OCc1ccccc1	1081207	KXBGOVZWCRLLOR-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro
c1ccc2cc(OCCn3ccnc3)ccc2c1	1193746	HEGCBGQOVJWAHE-UHFFFAOYSA-N	238.290	3.115	0	50	BGAA	
Cc1ccc(OCc2ccc(C(=O)O)o2)c(C)c1	2521391	KZDVFUFFQYJIED-UHFFFAOYSA-N	246.262	3.174	0	50	BGAA	
CC(C)c1ccccc1I	2560402	SORQIYFSJAWBNQ-UHFFFAOYSA-N	246.091	3.415	0	50	BGAA	
Cc1nc(-c2ccccc2)cc(=S)[nH]1	5183724	DJKUZHOCRBGSSB-UHFFFAOYSA-N	202.282	3.115	0	50	BGAA	
O=C(C1CCCCC1)N1CCCCCCC1	6729004	HWMQTNDOEMCKDO-UHFFFAOYSA-N	223.360	3.359	0	50	BGAA	
COc1cccc2c(Br)ccnc12	32099838	ZTCUNVSNCQDTQR-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
COc1ccc([C@@H]2CCC[C@H](CC(=O)O)C2)cc1	34133026	ATOJJGJTWYSPGT-WCQYABFASA-N	248.322	3.444	0	50	BGAA	
CN(C)CC1(c2ccccc2)CCCCC1	66076623	XQUUVZDIAMCEHA-UHFFFAOYSA-N	217.356	3.450	0	50	BGAA	
CC1(C)C[C@]2(CCO1)Cc1ccccc1C2=O	198216	RAXFORATYIEYFS-HNNXBMFYSA-N	230.307	3.001	0	50	BGAA	biogenic
O=C(CCC1CCCCC1)NCc1ccncc1	311560	MGFVGVCBCZCERQ-UHFFFAOYSA-N	246.354	3.058	0	50	BGAA	
C[C@@H](CCc1ccccc1)NC(=O)C(C)(C)C	407574	NGUNBIGBAQEKGP-LBPRGKRZSA-N	233.355	3.170	0	50	BGAA	
CC[C@@H](C)NC(=O)c1cccc2ccccc12	409096	NEPILQGNEZHSKD-LLVKDONJSA-N	227.307	3.368	0	50	BGAA	
OCc1ccc(Sc2ccccc2)cc1	1675834	PGOAWMRWDZJQTB-UHFFFAOYSA-N	216.305	3.330	0	50	BGAA	in-vitro
CCC(C)(C)C(=O)NCc1ccccc1Cl	2853003	UOOYXTXCHSNWMI-UHFFFAOYSA-N	239.746	3.392	0	50	BGAA	
CCOC(=O)c1cc2cc(C)ccc2nc1C	16123636	NGDSVASJKBMFEA-UHFFFAOYSA-N	229.279	3.028	0	50	BGAA	in-vitro
C[C@H](C(=O)c1ccccc1)C(F)(F)F	38416739	FFSQUPZKCFPFEM-SSDOTTSWSA-N	202.175	3.068	0	50	BGAA	
Fc1cccc2c(Br)cncc12	91692728	UHILZFOAYBIJLR-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
COC(=O)Cc1ccc(-c2cccc(F)c2)cc1	97757194	JCUIKQNVBZLOKB-UHFFFAOYSA-N	244.265	3.208	0	50	BGAA	
C[C@@H](CC1CCC1)NCc1ccccc1	132060925	GPIRAEFDRHWQHT-LBPRGKRZSA-N	203.329	3.355	0	50	BGAA	
Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1	123108	UYXSEGQERLWLDP-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
CC(=O)Nc1ccc(Br)cc1Cl	128982	MITWNEIUIPGZKR-UHFFFAOYSA-N	248.507	3.061	0	50	BGAA	biogenic,in-vitro
CCOC(=O)c1c(C)n2c3c(cccc13)CCC2	184763	BNWVLQSBISKRER-UHFFFAOYSA-N	243.306	3.073	0	50	BGAA	
CC1CCC(N[C@@H](C)CCCC(C)(C)O)CC1	280450	AYBRFEFKMKMFRU-MOKVOYLWSA-N	241.419	3.484	0	50	BGAA	
O=c1c2ccccc2[nH]c(=S)n1C1CCCC1	316656	ROEAWMSBZLHPSX-UHFFFAOYSA-N	246.335	3.174	0	50	BGAA	
C[C@@H](NC(=O)C1CCCCC1)c1ccccc1	362623	HCOUMPAAUUVXGW-GFCCVEGCSA-N	231.339	3.444	0	50	BGAA	
CCNC(=O)c1ccccc1Nc1ccccc1	12606330	KBYLOYZNOUCFGY-UHFFFAOYSA-N	240.306	3.180	0	50	BGAA	
CCOc1cc(C(C)(C)C)ccc1C(=O)O	12648897	UZRSFWUQUGFVBS-UHFFFAOYSA-N	222.284	3.081	0	50	BGAA	in-vitro
O=C(Nc1nccs1)[C@@H]1[C@@H]2C=CCCCC[C@@H]21	18095944	QVRUJMJSJXRQQT-OUAUKWLOSA-N	248.351	3.074	0	50	BGAA	
CC[C@@H](C)N(Cc1ccsc1)Cc1ncc[nH]1	55036648	BCKVOANUTQWNCM-LLVKDONJSA-N	249.383	3.272	0	50	BGAA	
NCCC[C@]1(C2=CCCCC2)CCCC[C@H]1O	96026518	AWGYJUNTRGVGIK-CABCVRRESA-N	237.387	3.147	0	50	BGAA	
CC(C)n1cncc1-c1ccc2c(c1)CCC2=O	725246381	XKZZBZQUKWDTHO-UHFFFAOYSA-N	240.306	3.260	0	50	BGAA	
CCNc1ncnc2sc3c(c12)CCCC3	40747	PPVIIVRXBPEYAW-UHFFFAOYSA-N	233.340	3.002	0	50	BGAA	
c1ccc(-c2cn3ccsc3n2)cc1	87852	DYYKAVHVTLJEOH-UHFFFAOYSA-N	200.266	3.063	0	50	BGAA	biogenic,in-vitro
COc1cc(CNc2ccc(C)cc2)ccc1O	206395	DUDODTYBAZRSSV-UHFFFAOYSA-N	243.306	3.321	0	50	BGAA	biogenic
COc1cc(Cl)c(OC)cc1Cl	967746	PFIADAMVCJPXSF-UHFFFAOYSA-N	207.056	3.011	0	50	BGAA	biogenic,in-vitro
CC(C)c1ccccc1OC(C)(C)C(=O)O	1460247	SUUDZJXMAQKEGM-UHFFFAOYSA-N	222.284	3.052	0	50	BGAA	in-vitro
FC(F)(F)c1ccc2[nH]c(=S)[nH]c2c1	2164411	HHZOBJBWXJSCSN-UHFFFAOYSA-N	218.203	3.244	0	50	BGAA	in-vitro
Fc1ccc(OCc2ccccc2)cc1	2510656	GOJNJAKUQZLPPP-UHFFFAOYSA-N	202.228	3.405	0	50	BGAA	biogenic,in-vitro
CC(C)C(=O)c1c(N)sc2c1CCCC2	2559519	AXHRYLLDVLOGDF-UHFFFAOYSA-N	223.341	3.048	0	50	BGAA	
Clc1ccc(C[C@@H]2CCCN2)cc1Cl	3732401	QDAOUERSYUOTTJ-VIFPVBQESA-N	230.138	3.288	0	50	BGAA	in-vitro
Cc1cccc([C@@H](O)c2cccc(F)c2)c1	4255954	WBTXAGJWSDTISI-CQSZACIVSA-N	216.255	3.216	0	50	BGAA	
CSc1nc(C)nc2c1oc1ccccc12	5218855	TVFKJTGOYKMUDM-UHFFFAOYSA-N	230.292	3.406	0	50	BGAA	
CCc1cc(Cl)cc2sc(N)nc12	20133666	OADRHUOFOMNMJZ-UHFFFAOYSA-N	212.705	3.094	0	50	BGAA	in-vitro
CN(C)[C@H]1CCCC[C@H]1c1ccccc1	34411704	MJWLTNXSPRLXPT-KBPBESRZSA-N	203.329	3.274	0	50	BGAA	
CCc1nccc(-c2nccn2C2CCCC2)n1	67540706	KAGXNJQJIVUANT-UHFFFAOYSA-N	242.326	3.018	0	50	BGAA	
Clc1cc(C2CCC2)c(Cl)nn1	143895492	BHWXGEUPWBHWGS-UHFFFAOYSA-N	203.072	3.051	0	50	BGAA	
Cc1ccc(F)cc1CNC1CCSCC1	163239926	HFQBXFHMFISKEO-UHFFFAOYSA-N	239.359	3.119	0	50	BGAA	
CC[C@H]1[C@@H](C)CCN1C(=O)CC1CCCC1	170598948	XNBQZIUNBICIGC-AAEUAGOBSA-N	223.360	3.214	0	50	BGAA	
Cc1cc(CN(C)[C@@H]2CCC(C)(C)C2)ccn1	527538834	JSVSZBRDMNMHID-CQSZACIVSA-N	232.371	3.401	0	50	BGAA	
c1cc2c(c(-c3ocnc3CC3CC3)c1)OCO2	2356160034	ZVSLXCBORUCKGN-UHFFFAOYSA-N	243.262	3.023	0	50	BGAA	
Cc1cc2c(C)nc3ccc(C(=O)O)cc3c2o1	274919	SVRZXPWIRNVBGK-UHFFFAOYSA-N	241.246	3.296	0	50	BGAA	biogenic
Cc1ccc(Cl)cc1NC(=O)NC(C)C	395420	RNSFHSUJRMENAE-UHFFFAOYSA-N	226.707	3.178	0	50	BGAA	
C[C@H]1CCCCN1C(=O)/C=C/c1ccc(F)cc1	432946	UIMAWPSUTFCVGO-PMDBQALLSA-N	247.313	3.240	0	50	BGAA	
COc1cccc(C(=O)N2[C@@H](C)CCC[C@@H]2C)c1	438326	PYABAWMPQQPHIA-RYUDHWBXSA-N	247.338	3.098	0	50	BGAA	
CCCCC(=O)Nc1ccc(C)cc1OC	2859179	GIWHMZBXUCKJDO-UHFFFAOYSA-N	221.300	3.132	0	50	BGAA	
CC(C)(C)NCc1ccc(Br)cc1	5817171	GCAXLMOUEUKSNT-UHFFFAOYSA-N	242.160	3.337	0	50	BGAA	in-vitro
Cc1ccccc1-c1nc2ccc(N)cc2o1	6701623	XWTBDODSQMSQHT-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	
CC(C)(C)OC(=O)c1ccc(Cl)cc1F	16159543	WVGOSBIYTOJPTI-UHFFFAOYSA-N	230.666	3.434	0	50	BGAA	in-vitro
C[C@@H](NC[C@@H](O)c1ccccc1)c1ccccc1	25436916	VKWJLDQFNZKCCM-CZUORRHYSA-N	241.334	3.071	0	50	BGAA	
COC(=O)c1ccc(-c2cc(F)ccc2F)cc1	97757208	ZTYCACLPRADKNK-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
C[C@H](C(=O)Nc1ccc2c(c1)CCCN2)C1CC1	148756822	DUDRVSVKJWLVLQ-JTQLQIEISA-N	244.338	3.029	0	50	BGAA	
CC[C@@H]1CCC[C@@H]1N[C@@H](C)c1ccccn1	159361595	PFNKOELXWPCNEL-SCRDCRAPSA-N	218.344	3.311	0	50	BGAA	
Fc1ccc(Br)c(C(F)(F)F)n1	238615805	YIRDGFSBFWDTQG-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	in-vitro
Fc1cccc2c(C3CCOCC3)c[nH]c12	255189981	UEWMQXNYVUCCOZ-UHFFFAOYSA-N	219.259	3.201	0	50	BGAA	
C=CC(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21	1120552697	JARBCIOKVQYAHI-OAHLLOKOSA-N	243.350	3.490	0	50	BGAA	
Fc1cccc2ncc(-c3ccncc3)cc12	1239611123	LTPSWVJAYDGTDV-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
C[C@H](N)Cc1c[nH]c2c1ccc1ccccc12	186402	UONRZFDQJUGVBJ-JTQLQIEISA-N	224.307	3.211	0	50	BGAA	
Cc1ccc(Br)cc1Cl	403471	LIFMTDJMLRECMX-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	in-vitro
Cc1ccc(C(=O)Nc2cccnc2)c(Cl)c1	458197	KTCRSSOMNAGREZ-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
Cc1ccc(S[C@H](C)C(=O)N2CCCC2)cc1	469485	RSYWHMJHSIOPIQ-GFCCVEGCSA-N	249.379	3.098	0	50	BGAA	
F/C(Br)=C(\F)C(F)(F)F	2243248	LNSBXPNZJPZBQZ-UPHRSURJSA-N	210.927	3.052	0	50	BGAA	in-vitro
Cc1cccc(Cl)c1Br	2528192	ADSIBTDRKLGGEO-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	in-vitro
Fc1cc(F)c(C(F)(F)F)cc1F	2540421	NNHFUVFJLYJMFV-UHFFFAOYSA-N	200.081	3.123	0	50	BGAA	
c1ccc2c([C@@H]3CSCCN3)cccc2c1	4253925	JROQJAPTCKSEBT-AWEZNQCLSA-N	229.348	3.217	0	50	BGAA	
CCOC(=O)c1cc2c(C)ccc(C)c2nc1C	32099262	LWYDEFRJMPFNGQ-UHFFFAOYSA-N	243.306	3.337	0	50	BGAA	in-vitro
Cc1ccnc(NCCNC2CCCCCC2)c1	65533275	ACPZRVUDEFMNJT-UHFFFAOYSA-N	247.386	3.114	0	50	BGAA	
COc1cccc2c(Cl)c(C)cnc12	71773051	UBQXDVNXLJEVKN-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
O=[N+]([O-])c1cc(Cl)cc(Cl)c1F	140957573	UTMYBNIUMQLFSK-UHFFFAOYSA-N	209.991	3.041	0	50	BGAA	
CC(C)c1cc(NC(=O)[C@@H]2CCC[C@H](C)C2)[nH]n1	175697298	OQNYRMOCSRCJIT-WDEREUQCSA-N	249.358	3.298	0	50	BGAA	
C[C@H](c1nc(COc2ccccc2)no1)C1CC1	177720623	RQONCZALMXNFDH-JTQLQIEISA-N	244.294	3.162	0	50	BGAA	
FC(F)(F)c1ccc2c(c1)CNCC21CCC1	211577168	PIZLVOLTROIYLU-UHFFFAOYSA-N	241.256	3.230	0	50	BGAA	in-vitro
CC[C@H](C)c1cc(=O)nc(-c2cccs2)[nH]1	1776003623	BDTPYIUTTDLUQZ-QMMMGPOBSA-N	234.324	3.012	0	50	BGAA	
Cc1ccccc1C(=O)N1C[C@@H](C)C[C@H](C)C1	29297	HHZTUIRGKSHRNK-RYUDHWBXSA-N	231.339	3.113	0	50	BGAA	
O=C1Nc2ccccc2S[C@H]1c1ccccc1	70525	DLALSZUJBMNOHZ-ZDUSSCGKSA-N	241.315	3.472	0	50	BGAA	
CN(C)C(=O)Oc1c(Cl)cccc1Cl	394195	PODABAYUBTVRCG-UHFFFAOYSA-N	234.082	3.054	0	50	BGAA	
CCC(=O)N[C@@H](CC(C)C)c1ccc(OC)cc1	71375566	GBNYNHVLQWDMIL-AWEZNQCLSA-N	249.354	3.309	0	50	BGAA	
CCCCNC(=O)c1ccc(C)cc1Cl	72117403	NKUROHASVRADRR-UHFFFAOYSA-N	225.719	3.178	0	50	BGAA	
CCOc1cc(OC(F)(F)F)ccc1F	85476848	QSPDNRIILMLYEB-UHFFFAOYSA-N	224.153	3.123	0	50	BGAA	in-vitro
O=C(O)c1ccc(OCCCC(F)(F)F)cc1	114377980	VXEGPQCVTKBJAN-UHFFFAOYSA-N	248.200	3.106	0	50	BGAA	
C[C@H]1CC(C)(C)C[C@@H]1NCCc1nccs1	192391259	UBZWWOKBVSEHAD-QWRGUYRKSA-N	238.400	3.100	0	50	BGAA	
Cc1nnc(-c2cccc(NC[C@@H]3C[C@H]3C)c2)o1	683110103	PPMQCLHALOZHPL-SKDRFNHKSA-N	243.310	3.113	0	50	BGAA	
CCS[C@H]1CC(=O)CC[C@H]1C(C)C	725359490	DCGOBLWHYKDIJS-QWRGUYRKSA-N	200.347	3.133	0	50	BGAA	
C[C@@H](Nc1ncc(Cl)cn1)C1=CCCCC1	1506422967	VQFLDVCIMCMJMQ-SECBINFHSA-N	237.734	3.431	0	50	BGAA	
O=c1oc2cc(O)ccc2cc1-c1ccccc1	58069	RIPZCQZTVDNJHQ-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	biogenic,in-vivo
Brc1nc2ccccc2s1	158626	DRLMMVPCYXFPEP-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Nc1ccc2nc(-c3ccccc3)oc2c1	235494	LACXUMLHOUWCSD-UHFFFAOYSA-N	210.236	3.077	0	50	BGAA	in-vitro
Cc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1	272335	MWGTWZBYNFUISA-STQMWFEESA-N	231.339	3.113	0	50	BGAA	
Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1	2527276	ITHNHEWXIBNEDG-UHFFFAOYSA-N	229.327	3.060	0	50	BGAA	in-vitro
Cc1ccc(/C=C/C(=O)O)cc1C(F)(F)F	2528416	NYGYUKFEDBHBBB-SNAWJCMRSA-N	230.185	3.112	0	50	BGAA	
CCc1cccc(CC)c1-n1ccc(C=O)c1	4237697	UADKCLODOLSPIR-UHFFFAOYSA-N	227.307	3.415	0	50	BGAA	in-vitro
COc1ccc(/C=C(\C)CC(=O)O)cc1Cl	4528961	SZPUDPDMWWPEBF-VMPITWQZSA-N	240.686	3.227	0	50	BGAA	
CC(C)C(NC(=O)c1ccccc1F)C(C)C	4838221	SACNLELFNNTGTO-UHFFFAOYSA-N	237.318	3.236	0	50	BGAA	
Cc1ccccc1C(O)c1ccccc1C	5420816	HUZNYQJRUZQVNX-UHFFFAOYSA-N	212.292	3.385	0	50	BGAA	
O=C1CCCCCN1C12CC3CC(CC(C3)C1)C2	5480308	VYCNARIMMGJIMD-UHFFFAOYSA-N	247.382	3.358	0	50	BGAA	
C[C@@H]1C=CC[C@@]23CCc4ccccc4[C@@]12COC3	5919745	XVTDUMANZNBCJR-XOKHGSTOSA-N	240.346	3.483	0	50	BGAA	
C[C@H](N)Cc1ccc2oc3ccccc3c2c1	30834287	NNNWHUROUDDELT-JTQLQIEISA-N	225.291	3.476	0	50	BGAA	
Fc1cc(F)c(Br)cc1S	36533002	XTTDJGFQWAEBKL-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CCc1cc(Br)ccc1OC	39477871	IRITUNGQFQNGKP-UHFFFAOYSA-N	215.090	3.020	0	50	BGAA	in-vitro
CCOC(=O)c1cnc2ccc(Cl)cc2c1	45921528	AQFMAWLPWUGVKP-UHFFFAOYSA-N	235.670	3.065	0	50	BGAA	in-vitro
Cc1cc(/C=C/C(=O)O)cc(C(C)(C)C)c1O	116070219	RZKGWVTTYPMMKJ-AATRIKPKSA-N	234.295	3.096	0	50	BGAA	
CCCC[C@H](CC)COC(=O)CCOCC	138672456	BMWQJFMEYZGKPB-LBPRGKRZSA-N	230.348	3.173	0	50	BGAA	
CC(C)c1cc(NC(=O)[C@@H]2CCC[C@@H](C)C2)[nH]n1	175697282	OQNYRMOCSRCJIT-GHMZBOCLSA-N	249.358	3.298	0	50	BGAA	
CCCCN(Cc1ccncc1)Cc1ccoc1	952868135	ZJASPPBQPCGFQK-UHFFFAOYSA-N	244.338	3.477	0	50	BGAA	
CC(C)(c1cccc(N)c1)C(F)(F)F	1775956284	JAVQXJIARCRNMX-UHFFFAOYSA-N	203.207	3.109	0	50	BGAA	
C[C@@H]1CCc2nc(-c3cncc(F)c3)sc2C1	1875269016	UYYZSJPILMDNAO-MRVPVSSYSA-N	248.326	3.469	0	50	BGAA	
Nc1cc(C(F)(F)F)ccc1Br	56542	PZDVFXUBTKPFSG-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	in-vitro
COc1ccc(-c2cn3ccccc3n2)cc1	68612	OADMBJNEWPMECL-UHFFFAOYSA-N	224.263	3.010	0	50	BGAA	in-vitro
CC(C)CNC(=O)c1ccc(Cl)cc1Cl	75797	QJDLLWDZNKMZBG-UHFFFAOYSA-N	246.137	3.379	0	50	BGAA	
Cc1cc(C(=O)Nc2ccccc2)c(C)o1	148131	XEPBBUCQCXXTGR-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
CCn1c2c(c3ccc(OC)cc31)CCCC2=O	202903	ILVZKTJIYSKSKT-UHFFFAOYSA-N	243.306	3.189	0	50	BGAA	
c1ccc(CCNC2CCCCCCC2)nc1	212435	OTPDPWFDUWFIEU-UHFFFAOYSA-N	232.371	3.327	0	50	BGAA	
O=C(Nc1ccccc1)c1cccs1	242113	WHWPJUQTGCHISO-UHFFFAOYSA-N	203.266	3.000	0	50	BGAA	
Cc1ccc(NC(=S)c2ccccn2)c(C)c1	309775	GQWLGOPNAWCYAQ-UHFFFAOYSA-N	242.347	3.486	0	50	BGAA	
CCCCN(C)Cc1c(F)cccc1F	2897638	LLHIPXHTWQWGCP-UHFFFAOYSA-N	213.271	3.197	0	50	BGAA	
CNCc1cccc(OCc2ccc(F)cc2)c1	5910033	MKVRXLVESFDQMH-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	
CC(C)c1ccnc([C@@](C)(O)c2ccccc2)c1	15781512	YDMFBXUOKANVOV-INIZCTEOSA-N	241.334	3.461	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cccc2ocnc12	16697232	RFOQYTVSDJQYHE-UHFFFAOYSA-N	234.255	3.175	0	50	BGAA	
COc1ccccc1CN1CCCC[C@@H]1C	23281466	YAJRTQYHTVXMCP-LBPRGKRZSA-N	219.328	3.070	0	50	BGAA	
Fc1cc(Br)cc2cccnc12	38537074	DDCOYWOYIUEOHQ-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
O=C(O)c1cc(-c2ccsc2)ccc1F	65349429	CYISDRCRIVBKGS-UHFFFAOYSA-N	222.240	3.252	0	50	BGAA	in-vitro
C[C@H](N[C@H]1CCOc2ccccc21)C1CCC1	128478600	QKZAJWIGGIVQIC-FZMZJTMJSA-N	231.339	3.288	0	50	BGAA	
O=Cc1ccc(Cl)cc1OCC(F)(F)F	163059106	VLSLPHLNCQNPJX-UHFFFAOYSA-N	238.592	3.094	0	50	BGAA	
CC[C@@H]1CCCN(C[C@@H](O)c2ccccc2)CC1	226902451	YDLGKUJZGGBLQA-GDBMZVCRSA-N	247.382	3.232	0	50	BGAA	
C[C@H](N[C@@H](C)c1ccnc(O)c1)c1ccsc1	340446874	QDUHDHCTRUFJPZ-UWVGGRQHSA-N	248.351	3.261	0	50	BGAA	
CC[C@H](C)c1ccc(-c2cc(CNC)[nH]n2)cc1	725264702	KOIYCBFDNATIOE-NSHDSACASA-N	243.354	3.310	0	50	BGAA	
C1=C[C@@H](n2ccnc2-c2ccco2)CC1	1875245517	CUCQWMDNWWQRAK-SNVBAGLBSA-N	200.241	3.034	0	50	BGAA	
CC(C)OC(=O)Nc1ccc(Cl)cc1	128043	BSMJHJAWPFPTKW-UHFFFAOYSA-N	213.664	3.297	0	50	BGAA	
O=C(O)CSc1ccc(Cl)c(Cl)c1	188559	KBDQNOMRWXPWIY-UHFFFAOYSA-N	237.107	3.170	0	50	BGAA	
Cc1ccc(C(=O)NCc2ccc(F)cc2)s1	371292	UJYNHOPWLAADSC-UHFFFAOYSA-N	249.310	3.126	0	50	BGAA	
CCN(CC)CCCOc1ccc(C)c(C)c1	2497106	XCVARTIIACTNHF-UHFFFAOYSA-N	235.371	3.414	0	50	BGAA	
C[C@@H](CC(=O)O)Sc1ccc(Cl)cc1	5211284	DSCJEDOCSCNYAI-ZETCQYMHSA-N	230.716	3.295	0	50	BGAA	in-vitro
CCCCOc1ccccc1NC(=O)C1CC1	12130587	JDZDDMPHCTUZOR-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
CCCCCC(=O)Nc1cccc(NC(C)=O)c1	12404292	YEPDMDNSQVTDCL-UHFFFAOYSA-N	248.326	3.164	0	50	BGAA	
Sc1nc2c(Cl)cccc2s1	40434538	MYBFPRUVQGKNIV-UHFFFAOYSA-N	201.703	3.238	0	50	BGAA	
CC1=CCc2cc(Br)ccc21	95218058	NOFYPTDQPJCKRF-UHFFFAOYSA-N	209.086	3.409	0	50	BGAA	in-vitro
CC(C)(Cc1cccc(F)c1)N1CCCC1	96027584	AVXRDYGHYLZHAG-UHFFFAOYSA-N	221.319	3.243	0	50	BGAA	
CCCCc1ncc(CN(C)C[C@H]2CC2(C)C)[nH]1	584903355	JCQZDZHHRGEYFJ-GFCCVEGCSA-N	249.402	3.230	0	50	BGAA	
Fc1ccc(/C=C/Br)c(F)c1F	606290146	CIJKAGGQMHFSID-ONEGZZNKSA-N	237.018	3.470	0	50	BGAA	
O=C(Cc1cccs1)NC1CCCCCC1	30623	WKKUHRBHSOAAEO-UHFFFAOYSA-N	237.368	3.130	0	50	BGAA	
O=C(c1ccccc1)N1CCC[C@@H]2CCCC[C@@H]21	190502	QUQKAXPIRYDMHC-ZFWWWQNUSA-N	243.350	3.481	0	50	BGAA	
Cc1ccccc1-c1ccc(O)c(C(=O)O)c1	2525635	ZPLNINPIPFLDLK-UHFFFAOYSA-N	228.247	3.066	0	50	BGAA	
Cc1cc(C)[n+](-c2ccccc2F)c(C)c1	2544836	MJGNAJFRGPHELA-UHFFFAOYSA-N	216.279	3.028	0	50	BGAA	
Clc1ccc([C@@H]2CCCN2)cc1Cl	2582603	LTITXVXGJJQFJC-JTQLQIEISA-N	216.111	3.418	0	50	BGAA	in-vitro
CC(C)(C)c1[nH]c2ccc(F)cc2c1C=O	3675319	LOCYBRXNOYLLDZ-UHFFFAOYSA-N	219.259	3.417	0	50	BGAA	in-vitro
O=C1CCc2cc(Cl)cc(Cl)c2C1	4203402	MKIJLGJYMAVHPA-UHFFFAOYSA-N	215.079	3.051	0	50	BGAA	in-vitro
COc1ccc(CNCc2ccsc2)cc1	4512845	RYPDWMMDTBTIGF-UHFFFAOYSA-N	233.336	3.047	0	50	BGAA	
O=Cc1cccc(OCc2cccs2)c1	6678088	WPEZXXPEJWPGLZ-UHFFFAOYSA-N	218.277	3.140	0	50	BGAA	in-vitro
O=C(O)c1ccc(F)cc1-c1ccccc1	21950740	NZBZMKZPQCAJTK-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
Cc1ccc(NCc2nnc(C(C)C)o2)c(C)c1	126273111	VWIHAMMONAMOOS-UHFFFAOYSA-N	245.326	3.422	0	50	BGAA	
Fc1cc2ccoc2cc1Br	146858132	CYQRQBZIFMXUGJ-UHFFFAOYSA-N	215.021	3.334	0	50	BGAA	
c1cncc(COc2ccc3ncccc3c2)c1	193593871	SKMRIJDPSNCABL-UHFFFAOYSA-N	236.274	3.209	0	50	BGAA	
Brc1cc2c(s1)CCCCN2	211711306	LFEYYTVROGKFCO-UHFFFAOYSA-N	232.146	3.259	0	50	BGAA	
Cc1nc2cc(-c3cccc(O)n3)ccc2s1	1243740445	WVICZCKUCDVBPV-UHFFFAOYSA-N	242.303	3.372	0	50	BGAA	
CCOC(=O)c1ccc(Cl)cc1Cl	163343	ZBBGAUHWTZKKQQ-UHFFFAOYSA-N	219.067	3.170	0	50	BGAA	in-vitro
CC(C)(CO)CCCCCCC(C)(C)CO	1761003	DJKWDKJYFYUEBQ-UHFFFAOYSA-N	230.392	3.364	0	50	BGAA	in-man
COc1cc(C(F)(F)F)ccc1Cl	2382127	HMFHBKVVYUOVSN-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	in-vitro
O=C(O)c1cccc(-c2ccc(F)cc2)c1	2565543	YUQPLNXKGVRIAJ-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	biogenic,in-vitro
C[C@@H](NC(=O)c1cccs1)c1ccc(F)cc1	3336760	AQVSWCTVIGCCSE-SECBINFHSA-N	249.310	3.378	0	50	BGAA	
Cc1cccc(NC(=O)c2cccc(N)c2)c1C	5615410	SSGORUYGVLRARA-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
CC1=CC(C)(C)Nc2c(C(=O)O)cc(C)cc21	9264530	PJASIMMCRYPVCW-UHFFFAOYSA-N	231.295	3.301	0	50	BGAA	
CCOC(=O)c1cc2ccccc2s1	16687768	PSLMIXGNCNQQRY-UHFFFAOYSA-N	206.266	3.078	0	50	BGAA	
O=C(O)c1ccc(-c2ccccc2F)c(F)c1	47204156	JHYCFVHKUCPYKB-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
Cc1ccc(NCc2cc(C)ccc2N)cc1	71774211	UNXHWLRGIZVIGE-UHFFFAOYSA-N	226.323	3.498	0	50	BGAA	
Cc1cc(Br)c(Cl)c(C=O)c1	263620195	VSJJHIQEXZWUQO-UHFFFAOYSA-N	233.492	3.223	0	50	BGAA	
Cc1cccc(NC(=O)Nc2cccnc2)c1	18754	CQQTYVBJWCNWQU-UHFFFAOYSA-N	227.267	3.034	0	50	BGAA	
CNC(=O)Nc1ccc(Nc2ccccc2)cc1	398208	FICXYZUFECWVDH-UHFFFAOYSA-N	241.294	3.182	0	50	BGAA	
O=C1c2ccccc2CC[C@H]1Cc1ccncc1	398510	LQEDVMDTNOBJHU-AWEZNQCLSA-N	237.302	3.069	0	50	BGAA	
O=C(Nc1ccccc1)Nc1ccnc(Cl)c1	402792	GPXLRLUVLMHHIK-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	biogenic,in-vitro
CC(=O)Nc1c(C)cc(Br)cc1C	451086	YDYWLULGRRSFLV-UHFFFAOYSA-N	242.116	3.024	0	50	BGAA	in-vitro
CCN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O	1179793	OYXHGSUPJRTJBR-FLIBITNWSA-N	247.319	3.051	0	50	BGAA	
NC[C@H]1CC2c3ccccc3C1c1ccccc12	1668616	UWARBRXWIXCVNO-LBWKMTJJSA-N	235.330	3.242	0	50	BGAA	
Brc1cccc([C@@H]2CCCCN2)c1	2582642	PIABJNAPJPTVKN-NSHDSACASA-N	240.144	3.264	0	50	BGAA	
CCOC(=O)[C@H](CC)Oc1ccc(C)c(C)c1	2797398	VSTZFEAACSPZDW-ZDUSSCGKSA-N	236.311	3.024	0	50	BGAA	
Cc1cccn2c(N)c(-c3ccc(F)cc3)nc12	4625446	OXFDLBOOZOCENF-UHFFFAOYSA-N	241.269	3.031	0	50	BGAA	
CCCCOc1ccccc1NC(=O)CC	5707822	YZMWANBBRQRIMM-UHFFFAOYSA-N	221.300	3.214	0	50	BGAA	
S=c1[nH]c2ccccc2c2c1CCC2	8382536	INEAHZZJVBJVOH-UHFFFAOYSA-N	201.294	3.386	0	50	BGAA	
COc1cc(NC[C@@H]2CC=CCC2)cc(OC)c1	20088475	YNRNECNTOSVIQS-GFCCVEGCSA-N	247.338	3.472	0	50	BGAA	
CCC(CC)N[C@@H](C)c1cn2ccsc2n1	65531566	XHHBDLRZUGZTHQ-VIFPVBQESA-N	237.372	3.235	0	50	BGAA	
Fc1cncc(Br)c1C(F)(F)F	67802795	AIOCPXGMKDNVBZ-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CC(C)(Cc1ccccc1)NC(=O)C1CCCC1	72438032	WMZHCZGZZYVCCL-UHFFFAOYSA-N	245.366	3.314	0	50	BGAA	
CCOC(=O)[C@H]1CCCc2c1[nH]c1ccccc21	166286421	UCJOHLQUKMIPLD-LBPRGKRZSA-N	243.306	3.151	0	50	BGAA	
Cc1ccc(OC(=O)Nc2cccnc2)cc1	243331606	LPEGSTJYFKBVCZ-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
COc1ccc(-c2n[nH]c(C3CCC3)n2)cc1C	426531768	PFVWDPAZDGOONV-UHFFFAOYSA-N	243.310	3.056	0	50	BGAA	
C[C@@H]1CC[C@H](n2cc(-c3cccs3)nn2)C1	585124320	YHUWOBQRZZYTPH-ZJUUUORDSA-N	233.340	3.368	0	50	BGAA	
COc1cc(F)cc(-c2cccc(O)c2)c1	686026566	YAPNALSXUBPLDY-UHFFFAOYSA-N	218.227	3.207	0	50	BGAA	
CCC[C@@H]1C[C@H]1C(=O)Nc1cncc(Cl)c1	1626014044	NALCDDAHCRDRSM-LDYMZIIASA-N	238.718	3.110	0	50	BGAA	
O=C(O)c1ccc(C(F)(F)F)cc1C(F)F	1772773366	SPOZFXIDNYCHIY-UHFFFAOYSA-N	240.127	3.341	0	50	BGAA	
COc1ccc(-c2ccc(C(=O)O)s2)cc1	169643	XLTXZWKQUHETLK-UHFFFAOYSA-N	234.276	3.122	0	50	BGAA	in-vitro
Cc1[nH]nc(-c2ccccc2)c1Br	185021	OMGCVNHAFYEVRU-UHFFFAOYSA-N	237.100	3.148	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Nc2ncccc2C)cc1	291242	QDRHCICBCNASFS-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1ccccc1C(=O)N[C@H]1CCCC[C@@H]1C	313145	NFPWJMSVIZIPLV-JSGCOSHPSA-N	231.339	3.304	0	50	BGAA	
CCCCc1c(C)c2cccc(C)c2[nH]c1=O	2495306	YNUATYNWIQTBLK-UHFFFAOYSA-N	229.323	3.488	0	50	BGAA	
O=c1[nH]c(-c2ccccc2)cnc1-c1ccccc1	8672863	YAILYEMDUBVLNS-UHFFFAOYSA-N	248.285	3.104	0	50	BGAA	
CC(C)(C)c1csc(Br)n1	11920191	ILKZEOZQPGBUCV-UHFFFAOYSA-N	220.135	3.203	0	50	BGAA	in-vitro
Cc1cc(Br)cc(Cl)c1C(=O)O	67802813	ORIIFCWVWHSUIN-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	
Cc1cnccc1N1CCC[C@@H]1c1cccnc1	335692772	SHBPVZLLIHWCEY-OAHLLOKOSA-N	239.322	3.127	0	50	BGAA	
Cc1csc2nc(-c3ccccc3)cn12	101725	DCMZKFFVBKTHRE-UHFFFAOYSA-N	214.293	3.371	0	50	BGAA	
O=C(Oc1ccc(Cl)cc1)c1ccccc1O	397092	TUYYMOBSJNEIKN-UHFFFAOYSA-N	248.665	3.265	0	50	BGAA	
CC(=O)Nc1cccc2c1-c1ccccc1C2	398859	PHPWISAFHNEMSR-UHFFFAOYSA-N	223.275	3.216	0	50	BGAA	in-vitro
Clc1ccc(Cn2cc(Cl)cn2)cc1	1062154	IUEZOBAJHGYWRD-UHFFFAOYSA-N	227.094	3.238	0	50	BGAA	
Cc1ccc(CCC(=O)O)c2ccccc12	1716006	NLJSIZYZZYSWLL-UHFFFAOYSA-N	214.264	3.165	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)C(C)(C)C)c1C	1751217	IJUIRQSZLUOHLO-UHFFFAOYSA-N	205.301	3.288	0	50	BGAA	
Fc1ccccc1Cn1cnc2ccccc21	4036989	GVPLWEQRXICZLW-UHFFFAOYSA-N	226.254	3.224	0	50	BGAA	
Cc1cc(Cl)ccc1-n1cccc1C=O	4237751	NLKOAZSMCNHOPA-UHFFFAOYSA-N	219.671	3.252	0	50	BGAA	in-vitro
c1ccc(CC2=NCCc3ccccc32)cc1	4578142	BQIIGTSQOCWPDH-UHFFFAOYSA-N	221.303	3.275	0	50	BGAA	
CCC(CC)NC(=O)Nc1ccc(OC)cc1	6742683	QKNQPVAMCRGOKK-UHFFFAOYSA-N	236.315	3.005	0	50	BGAA	
COc1ccccc1CCNCC1CCCCC1	13718556	KUORWPJCXNPFEO-UHFFFAOYSA-N	247.382	3.408	0	50	BGAA	
O=C1OCc2cc(Oc3ccccc3)ccc21	54965405	BTQCNYDOVASZJD-UHFFFAOYSA-N	226.231	3.149	0	50	BGAA	
Cc1ccc2[nH]cc(-c3cnc(N)c(C)c3)c2c1	67851247	NVKSBZXHJVTYMK-UHFFFAOYSA-N	237.306	3.429	0	50	BGAA	
CC1(C)CCCc2scc(C(=O)O)c21	149118915	KJSQMLCOAOKWON-UHFFFAOYSA-N	210.298	3.060	0	50	BGAA	
C[Si](C)(C)C(Cl)(Cl)Br	409420707	ZHLQCRWESHHIEV-UHFFFAOYSA-N	236.012	3.390	0	50	BGAA	
O=Cc1cc(F)ccc1-c1cccc(C(=O)O)c1	725271002	XQWKNMUCUUDKOD-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
O=C1CCCCCC[C@@]12O[C@H]2c1ccccc1	336516	FSBZWAGBLYKZFO-LSDHHAIUSA-N	230.307	3.420	0	50	BGAA	
COC(=O)c1cccc2c1Cc1ccccc1-2	390828	MUFYBTQAVHTRPC-UHFFFAOYSA-N	224.259	3.044	0	50	BGAA	
c1ccc2cc(CN3CCSCC3)ccc2c1	2816601	YKUCZWQSDBHQOJ-UHFFFAOYSA-N	243.375	3.389	0	50	BGAA	
c1cncc(CNc2nccc3ccccc23)c1	5572538	GIXJIJKIUBTLKT-UHFFFAOYSA-N	235.290	3.242	0	50	BGAA	
Oc1ccc2ccc(Br)cc2c1	14628761	VWSBGGRCEQOTNU-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
C[C@H](NC[C@@H](O)c1ccccc1)c1ccccc1	25436919	VKWJLDQFNZKCCM-XJKSGUPXSA-N	241.334	3.071	0	50	BGAA	
Nc1ccnc2cc(Cl)c(Cl)cc12	32099407	ZVBRYIQQZDIPRV-UHFFFAOYSA-N	213.067	3.124	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)n1ccc2c(C=O)cccc21	40442663	RWNVMURXKFVIHP-UHFFFAOYSA-N	245.278	3.237	0	50	BGAA	
Cc1ccccc1-c1cc(C(=O)O)ccc1F	49821585	ZPSLCBZMJRSBTE-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
FC(F)(F)Oc1ccc(C2CCNCC2)cc1	59688923	FLWRTKZUGCVAGX-UHFFFAOYSA-N	245.244	3.052	0	50	BGAA	in-vitro
CCO[C@@H](C)c1ccc(-c2c[nH]c(C)n2)cc1	65375108	JOVPOFTWGGGLSM-JTQLQIEISA-N	230.311	3.483	0	50	BGAA	
O=C1Nc2ccccc2[C@H]1Cc1ccccc1F	101016671	FYRXYFBKFLKHMC-GFCCVEGCSA-N	241.265	3.104	0	50	BGAA	
Oc1ccc(Cl)c(CN2CCCC2)c1Cl	150162190	VTDGZHAWDMAENA-UHFFFAOYSA-N	246.137	3.295	0	50	BGAA	
O=C1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@@H]1[C@@H]32	216395106	UEMYAOLZGPYWPV-KNPMLCFXSA-N	222.287	3.091	0	50	BGAA	
O=C(O)[C@]12[C@H]3c4ccccc4[C@@H]1[C@@H]2c1ccccc13	257358440	UMJDXPHIAPUWGB-OOIBXKBGSA-N	248.281	3.098	0	50	BGAA	
Cc1noc(C)c1CN(C)[C@@H]1CCC(C)(C)C1	335755810	AACQRGIDQUYQAQ-GFCCVEGCSA-N	236.359	3.302	0	50	BGAA	
C=CC(=O)N1CC2(CCCC2)c2c(F)cccc21	863971219	JTBTVMXFDFHHCO-UHFFFAOYSA-N	245.297	3.170	0	50	BGAA	
Oc1ccc(Sc2ccc(O)cc2)cc1	136154	VWGKEVWFBOUAND-UHFFFAOYSA-N	218.277	3.249	0	50	BGAA	biogenic,in-vitro
CCOC(=O)c1ccc2nc(C)cc(Cl)c2c1	290660	WWHIKEAYZCGNRF-UHFFFAOYSA-N	249.697	3.373	0	50	BGAA	in-vitro
CC(C)c1cccc(C(C)C)c1NC(N)=O	398152	AYAVHHQSPLAKJH-UHFFFAOYSA-N	220.316	3.424	0	50	BGAA	
C[C@@H](Sc1ccccc1)C(=O)NC(C)(C)C	443601	PZSFGMODBFFFQR-SNVBAGLBSA-N	237.368	3.082	0	50	BGAA	
CC(C)CCOC(=O)/C=C/c1ccccc1	1849805	JFHCDEYLWGVZMX-CMDGGOBGSA-N	218.296	3.289	0	50	BGAA	
CCc1c(C)c(=N)c2ccccc2n1CC	22341807	VMJSAUHDBGUYGN-UHFFFAOYSA-N	214.312	3.011	0	50	BGAA	
C[C@H]1CCC[C@@H](Nc2ccccc2C(=O)O)C1	36891537	DAYHSSLFIGVUKJ-WDEREUQCSA-N	233.311	3.375	0	50	BGAA	
CC(C)(C)O[C@@H]1CCC=C1Br	43199124	WHAWMMSALJVJSZ-MRVPVSSYSA-N	219.122	3.243	0	50	BGAA	
CCC/C=C/c1ccc2nc([C@@H](C)O)[nH]c2c1	67472822	OPJXTHUYLQEEBV-BRAIEQGRSA-N	230.311	3.430	0	50	BGAA	
CCC(=O)N[C@@H](CC)c1ccc(C)cc1C	72116131	ZANYDIGKOSPHIY-ZDUSSCGKSA-N	219.328	3.281	0	50	BGAA	
CC(C)c1ccc(N)cc1C(F)(F)F	143430497	ZTBHDUUIYYRHNH-UHFFFAOYSA-N	203.207	3.411	0	50	BGAA	
CC(C)Oc1ccc2cc(O)ccc2c1	261494319	UWMBIASBJGTBPD-UHFFFAOYSA-N	202.253	3.333	0	50	BGAA	
Cc1cc(O)cc(C)c1-c1cc(C2CC2)ncn1	426423247	BABGFHILHOUVHI-UHFFFAOYSA-N	240.306	3.343	0	50	BGAA	
Cc1cc(C=O)ccc1-c1cccc(O)c1F	725270367	JBCAUMFKIQVEGX-UHFFFAOYSA-N	230.238	3.319	0	50	BGAA	
Cc1ccc(-c2cccc([C@H](C)O)c2)c(CO)c1	854202530	HZJONYNDHLQPRO-LBPRGKRZSA-N	242.318	3.208	0	50	BGAA	
O=C(O)c1ccc(C(F)F)cc1C(F)(F)F	1772773130	IVFITDGLWGKMKC-UHFFFAOYSA-N	240.127	3.341	0	50	BGAA	
O=C(N[C@H]1C[C@H]1c1ccccc1)c1cccs1	128357	UDQIVIZMQAGWRK-RYUDHWBXSA-N	243.331	3.034	0	50	BGAA	
Cn1c(Cc2ccccc2)nc2ccccc21	305696	BAXXIBXLWXEPGF-UHFFFAOYSA-N	222.291	3.164	0	50	BGAA	
Cc1ccc(C(=O)Nc2ccc(F)cc2)cc1	401857	RXYSKAOGUKNBOB-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CCC(CC)C(=O)NCc1ccccc1Cl	453043	CGDLIXPRGCMSLJ-UHFFFAOYSA-N	239.746	3.392	0	50	BGAA	
Oc1c(Cl)cc(Br)cc1Cl	1621105	KGURSDWHGSLAPP-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	in-vitro
FC(F)(F)c1cccc([C@@H]2CCCN2)c1	3732371	JLVNEMRUEAMGSZ-JTQLQIEISA-N	215.218	3.130	0	50	BGAA	in-vitro
CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)O	6048922	WUEFGQXWIWCINJ-LBPRGKRZSA-N	236.311	3.226	0	50	BGAA	
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(F)(F)F)c1	13325787	PDMUQPUAGQKEPE-XCBNKYQSSA-N	243.228	3.300	0	50	BGAA	
CCCOc1ccc(CNCC)cc1Cl	20925512	YGBRHTZMMATWMT-UHFFFAOYSA-N	227.735	3.238	0	50	BGAA	
CC(C)=CCC[C@H](C)CN1CCC[C@H](CO)C1	40455896	FWFISHFNIWPLMS-GJZGRUSLSA-N	239.403	3.073	0	50	BGAA	
COC(=O)[C@H]1CCCCCCCCCC[C@@H]1O	43214741	PSFZBCFUPIGJHJ-STQMWFEESA-N	242.359	3.051	0	50	BGAA	
Cc1ccc([C@@H]2NCCc3ccccc32)cc1F	83618972	ADPAPABJFDBSFF-INIZCTEOSA-N	241.309	3.369	0	50	BGAA	
O=C(O)[C@@H](F)c1cccc(Cl)c1Cl	86242836	LXBJBHGMSWEPGQ-ZETCQYMHSA-N	223.030	3.089	0	50	BGAA	
O[C@]1(c2ccccc2)C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	245225283	RHJLKXNREDSSQB-DGVSKKNDSA-N	228.335	3.330	0	50	BGAA	
CCOC(=O)[C@@H](C)[C@@H](C)c1ccc(F)cc1	259479414	ADESQKOOUKEVNB-ZJUUUORDSA-N	224.275	3.128	0	50	BGAA	
Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C)cc1	641898750	RKFQTNDMUWQMOQ-YUELXQCFSA-N	243.350	3.315	0	50	BGAA	
O=C(Oc1cccc2cccnc12)c1ccccc1	1015	BHKPHCKISVSDGV-UHFFFAOYSA-N	249.269	3.454	0	50	BGAA	biogenic,in-man
FC(F)(F)c1cccc(-c2cnco2)c1	165061	VZPSLWXHNGQMCO-UHFFFAOYSA-N	213.158	3.360	0	50	BGAA	
O=C([C@@H]1C[C@H]1c1ccccc1)N1CCCCCC1	293102	IARCCLBTJJIKAZ-LSDHHAIUSA-N	243.350	3.193	0	50	BGAA	
CC(=O)CSc1ccc(Br)cc1	339036	HCLMSQXPPXNNKE-UHFFFAOYSA-N	245.141	3.130	0	50	BGAA	
Clc1cccc(NCCc2ccccn2)c1	396781	MIVSCJLFCYLECS-UHFFFAOYSA-N	232.714	3.390	0	50	BGAA	
C[C@@H](CNC(=O)c1ccccc1)c1ccccc1	406299	BDJRLRLQKNSDGO-ZDUSSCGKSA-N	239.318	3.220	0	50	BGAA	
Cc1occc1C(=O)N[C@@H](C)c1ccccc1	476305	UQQRUKNDGFCLTA-JTQLQIEISA-N	229.279	3.079	0	50	BGAA	
CCN(CC)C(=O)/C=C/c1ccccc1Cl	579364	QRJFPMXHZUSQDQ-MDZDMXLPSA-N	237.730	3.222	0	50	BGAA	
COCc1cc2sc(COC)cc2s1	2519603	MPSXHGLXZDNVJS-UHFFFAOYSA-N	228.338	3.256	0	50	BGAA	
CCc1cc2c(Cl)nc(C)nc2s1	19953581	MLNSNVDZJYXEMZ-UHFFFAOYSA-N	212.705	3.216	0	50	BGAA	in-vitro
C[C@H](NCC[C@H](C)CCCC(C)(C)O)C1CC1	32587205	ADFYMADYTXJRQE-OLZOCXBDSA-N	241.419	3.342	0	50	BGAA	
CCC[C@@](C)(CO)NCc1cc(C)c(C)cc1C	170632737	ASVGDIZMKCPQSF-INIZCTEOSA-N	249.398	3.253	0	50	BGAA	
Oc1cc(Cl)c(Cl)c(Br)c1	263622887	BRSISBFBCAPIIK-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	
Cc1ccc(C(=O)c2cccnc2Cl)cc1	605660911	UMASJTSMNGHEFE-UHFFFAOYSA-N	231.682	3.274	0	50	BGAA	
Cc1c(-c2cnccn2)ssc1=S	1852	CKNAQFVBEHDJQV-UHFFFAOYSA-N	226.351	3.305	0	50	BGAA	biogenic,world
Cc1ccc2ncnc(NCc3ccco3)c2c1	122885	PIQMBHNDIUEKRY-UHFFFAOYSA-N	239.278	3.143	0	50	BGAA	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccccc1	209924	WMDTVTLGXVIKJO-VXGBXAGGSA-N	217.312	3.090	0	50	BGAA	
Cc1cc(C)c2nc(Cl)c(C=O)cc2c1	287810	FXUMJBPZONRYQS-UHFFFAOYSA-N	219.671	3.318	0	50	BGAA	
O=C(Cc1ccc(F)cc1)Nc1ccc(F)cc1	439367	RNGGBGHMQHFNPX-UHFFFAOYSA-N	247.244	3.146	0	50	BGAA	
CC(=O)c1cc(C(=O)Nc2ccccc2)c(C)o1	446423	LNHLMJABPXLEAI-UHFFFAOYSA-N	243.262	3.043	0	50	BGAA	
FC(F)(F)c1ccc2c(c1)N1CCC[C@@H]1CN2	1385106	OMYRTCMROMLKSB-SECBINFHSA-N	242.244	3.100	0	50	BGAA	
CCOP(=O)(Cc1ccoc1C)OCC	2339781	GIHMKICZRKICAL-UHFFFAOYSA-N	232.216	3.354	0	50	BGAA	
Fc1ccccc1C1=NCCc2ccccc21	2391824	QZOMSWHZSAJCPS-UHFFFAOYSA-N	225.266	3.219	0	50	BGAA	
O=Cc1c(-c2ccc(F)cc2)nc2sccn12	2562225	NMJLTWCGJYJVDO-UHFFFAOYSA-N	246.266	3.014	0	50	BGAA	in-vitro
COc1ccc([C@H](CCN)c2ccccc2)cc1	2841286	BOXAQKOVJLKRPK-MRXNPFEDSA-N	241.334	3.176	0	50	BGAA	
CC(C)=CCCC1=CCC(CO)(CO)[C@H](C)C1	3881351	YRUGEWVTANIGAS-CYBMUJFWSA-N	238.371	3.060	0	50	BGAA	biogenic
Cc1ccc(OC(=O)c2ccco2)cc1Cl	12137952	WCLGWMRHRLQJKF-UHFFFAOYSA-N	236.654	3.461	0	50	BGAA	
Clc1cncc(Cl)c1Br	14628945	LOKLQBZBVPYAQO-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
COc1ccccc1CN(C)C1CCCCC1	16662999	NWGWFTYSPJEUEO-UHFFFAOYSA-N	233.355	3.460	0	50	BGAA	
COc1ccc(C(F)(F)F)cc1Cl	71793112	VVRXOIBFPBBYRU-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	
CCOC(=O)CCCSc1ccc(C)cc1	96024713	BONCMXTYXVHXNM-UHFFFAOYSA-N	238.352	3.430	0	50	BGAA	
COc1cc(NC(=O)C(C)(C)C)ccc1Cl	113626474	MOGZTRMVASFWHB-UHFFFAOYSA-N	241.718	3.333	0	50	BGAA	
O=C(O)c1cc2cc(Cl)ccc2c(Cl)n1	125348960	BSMPBHPEBKTLFZ-UHFFFAOYSA-N	242.061	3.240	0	50	BGAA	
Cc1cc(F)ccc1-c1ccc(CO)cc1	143396802	GYSGESHABRRXSU-UHFFFAOYSA-N	216.255	3.293	0	50	BGAA	
O=C(N[C@H]1CC12CCCCC2)C1CCCC1	180720781	LZQMAGSZFGRQBC-LBPRGKRZSA-N	221.344	3.016	0	50	BGAA	
C[C@@H]1CCC[C@H](N[C@H](CCO)C(C)(C)C)[C@@H]1C	252510781	BKFITVRKDCKJJD-YIYPIFLZSA-N	241.419	3.198	0	50	BGAA	
CC[C@H](C(=O)O)N1CCCC(CC)(CC)CC1	263574635	NTWHTQOXHQGIEY-GFCCVEGCSA-N	241.375	3.142	0	50	BGAA	
c1coc(C2CCN(Cc3cscn3)CC2)c1	661164969	MNNMOESDRKFJDQ-UHFFFAOYSA-N	248.351	3.116	0	50	BGAA	
C[C@@H]1CC(C)(C)c2c(F)cc(F)c(N)c21	669374186	AQRLHVPRHGZGCY-ZCFIWIBFSA-N	211.255	3.332	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccc(Cl)cn1	30491	MTIWLQRIJYZNBV-MRVPVSSYSA-N	226.707	3.110	0	50	BGAA	
CC1=C(C)/C(=C/c2[nH]cc(C)c2C)N=C1	2519583	PNMMFDNNDUJODJ-ACAGNQJTSA-N	200.285	3.393	0	50	BGAA	
CC(C)(C)c1[nH]c2c(F)cccc2c1C=O	3674861	OULVSIXUFWLHHX-UHFFFAOYSA-N	219.259	3.417	0	50	BGAA	in-vitro
Clc1cccc(CNCc2ccccn2)c1	6704091	JXECVYFXQDKIJB-UHFFFAOYSA-N	232.714	3.025	0	50	BGAA	
CCCCC(=O)Nc1ccc(F)cc1C	13326617	NNEIBDVGLGDNKD-UHFFFAOYSA-N	209.264	3.263	0	50	BGAA	
NC(=O)c1ccccc1Oc1ccccc1Cl	19799635	QUDJBJLKVMXVEA-UHFFFAOYSA-N	247.681	3.231	0	50	BGAA	
CC1=CC[C@@]23CCC[C@@]12C(=O)CC3(C)C	34215752	POQNOHLJOADRPG-KGLIPLIRSA-N	204.313	3.492	0	50	BGAA	
O=C(c1ccc(Cl)cc1)N1CC2(CCCC2)C1	336516393	DEROVAWJSQRGBH-UHFFFAOYSA-N	249.741	3.356	0	50	BGAA	
CC[C@@H](SC)c1nc(-c2cnsc2)no1	864096868	LPUUXIOBEAQMLW-SSDOTTSWSA-N	241.341	3.007	0	50	BGAA	
O=C(c1ccc(Cl)c(Cl)c1)N1CCCC1	29892	XQWRTAOXCSSTBB-UHFFFAOYSA-N	244.121	3.229	0	50	BGAA	
CCSc1nc2ccccc2cc1C=O	1394783	ZLQAPHLHWYOHDW-UHFFFAOYSA-N	217.293	3.159	0	50	BGAA	
O=[N+]([O-])/C=C\c1ccc(Cl)cc1Cl	8617560	LIWIJBBAMBDXME-ARJAWSKDSA-N	218.039	3.241	0	50	BGAA	
CN(C)C[C@@H]1CCCC[C@@H]1Oc1ccccc1	45067775	PCFONODKILRICO-ZFWWWQNUSA-N	233.355	3.186	0	50	BGAA	
COc1ccc2c(c1)[C@@H](C)Cc1cnoc1-2	71774143	TVUGVWQSKQDPLI-QMMMGPOBSA-N	215.252	3.010	0	50	BGAA	
CSc1nc2ccnc(Cl)c2s1	95704824	JLTLHRLLQJAAMR-UHFFFAOYSA-N	216.718	3.067	0	50	BGAA	
CCCc1nnc(-c2cccc3c2OCC3)s1	426711479	PEYRDMOAANPWLG-UHFFFAOYSA-N	246.335	3.093	0	50	BGAA	
Cc1cnccc1C(=O)N[C@H](C)C1=CCCCC1	820723408	YIOILAGRXSPFFE-GFCCVEGCSA-N	244.338	3.009	0	50	BGAA	
COc1ccc(Cl)cc1-c1nc(C)cnc1C	1245811924	NSMNLVCXOYQQSM-UHFFFAOYSA-N	248.713	3.422	0	50	BGAA	
Cc1cccnc1NC(=O)Nc1cccc(F)c1	319190	BGUMETSARUZVNJ-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
C[C@H]1C[C@H](NC(=O)C2CCC2)CC(C)(C)C1	355252	ZFQBCIVKMLSSHD-JQWIXIFHSA-N	223.360	3.118	0	50	BGAA	
O=C(O)c1ccc(NCc2ccc(F)cc2)cc1	359863	GABPQBSNSDBMBK-UHFFFAOYSA-N	245.253	3.136	0	50	BGAA	
Cc1cccc(-c2nc(-c3cccnc3)no2)c1	430481	XYXDTQYIMLLEQO-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
CCOc1ccccc1C(=O)NC(C)(C)CC	620103	ZPOHUXGOWQVIKO-UHFFFAOYSA-N	235.327	3.004	0	50	BGAA	
CCCCn1c(=O)cc(C)c2ccccc21	1701904	BDQRFECVDXBVMM-UHFFFAOYSA-N	215.296	3.110	0	50	BGAA	
Cc1ccc(C)c([C@@H](O)c2ccccc2)c1	4072049	LUJWENMJIFKTGB-HNNXBMFYSA-N	212.292	3.385	0	50	BGAA	
CCCC(=O)Nc1ccccc1OC(F)F	4841907	VDWLQCWTOUJRJM-UHFFFAOYSA-N	229.226	3.027	0	50	BGAA	
Fc1ccc(F)c2c(Br)ccnc12	36075564	UOFCLTOADUYCLV-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	in-vitro
CC(C)(C)c1nc(Cl)cc(C(F)F)n1	145422293	TUBCSMLYAWSDGG-UHFFFAOYSA-N	220.650	3.365	0	50	BGAA	
c1cncc(Nc2cncc3ccccc23)c1	231443188	OPXYNPHGNPEBNB-UHFFFAOYSA-N	221.263	3.373	0	50	BGAA	
C[C@@H](C1CC1)N(C(=O)[C@@H]1[C@H]2CCCC[C@H]21)C1CC1	245495816	QFJCADYEHNWKAS-BSLXNSKLSA-N	247.382	3.212	0	50	BGAA	
CO[C@H]1[C@]23CCC[C@@]2(C3)[C@@H](OC)[C@]23CCC[C@]12C3	247951273	LYGNJVSNKRVTCT-GEONZQJFSA-N	248.366	3.151	0	50	BGAA	
Cc1cc(-c2ccc(CC(C)C)cc2)c(O)nn1	426521225	LKXRHGADBCGGKF-UHFFFAOYSA-N	242.322	3.356	0	50	BGAA	
CS[C@H]1CC(=O)CC[C@H]1C(C)(C)C	725359646	DVPYHKAOXUSYQU-ZJUUUORDSA-N	200.347	3.133	0	50	BGAA	
CCc1ccccc1NC(=O)C=C(C)C	145613	WVPMPVDSVJDKDF-UHFFFAOYSA-N	203.285	3.154	0	50	BGAA	
CC[n+]1c(C)n(-c2ccccc2)c2ccccc21	236031	GASKSRXHUJTGFB-UHFFFAOYSA-N	237.326	3.246	0	50	BGAA	
COc1cccc(CN[C@@H]2CCCC[C@H]2C)c1	293167	ZPCKFKYWLQCLJV-IUODEOHRSA-N	233.355	3.364	0	50	BGAA	
O=C(CCC1CCCCC1)NCc1ccccn1	311754	HGDFEZZHZAPWJF-UHFFFAOYSA-N	246.354	3.058	0	50	BGAA	
CCOC(OCC)[C@@H]1C[C@@H]1c1ccccc1	401590	XDFRERJYVKNAFM-CHWSQXEVSA-N	220.312	3.189	0	50	BGAA	in-vitro
CC(C)CC(=O)NCCc1cccc(Cl)c1	476353	FUZWCFWKQQPCSJ-UHFFFAOYSA-N	239.746	3.045	0	50	BGAA	
O=C(OCc1ccc(Cl)cc1)c1ccco1	482440	LZSGEQIJBLTORP-UHFFFAOYSA-N	236.654	3.290	0	50	BGAA	
CCSCc1cnc(Cl)nc1Cl	2381629	LVMRWJLPIBPOMZ-UHFFFAOYSA-N	223.128	3.037	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Nc2nccs2)cc1	2592596	SCKHIOSDMOKXAB-UHFFFAOYSA-N	233.296	3.096	0	50	BGAA	
FC(F)[C@H]1C[C@H](c2ccccc2)Nc2ccnn21	2782641	RELKPDKPDFACSX-GHMZBOCLSA-N	249.264	3.246	0	50	BGAA	
CSc1ccccc1[C@H]1CCCCN1	3734650	RNJZOAIKTCXGNG-LLVKDONJSA-N	207.342	3.223	0	50	BGAA	in-vitro
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(F)(F)F)cc1	13331212	VHENGDJHZSQEQQ-XCBNKYQSSA-N	243.228	3.300	0	50	BGAA	
C/C(=C\c1ccccc1)CN1C[C@H](C)O[C@@H](C)C1	19634315	BZZRQIOENOHKAS-FQSSWDBKSA-N	245.366	3.199	0	50	BGAA	
Fc1cc(Cl)cnc1NCc1ccccc1	38536965	FNOYYMRVQWLDNK-UHFFFAOYSA-N	236.677	3.486	0	50	BGAA	in-vitro
COc1ccc(-c2ccc(O)c(C)c2)cc1	65340283	JHKSFBWFAHYWAD-UHFFFAOYSA-N	214.264	3.376	0	50	BGAA	in-vitro
Sc1ccc(Cl)cc1Br	67796655	DOENFIYZEDUWRR-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	
O=C(O)c1cccc(-c2cc(Cl)ccc2O)c1	82048791	ODGCLNKGAPCIAE-UHFFFAOYSA-N	248.665	3.411	0	50	BGAA	
CC1(C)CCc2cc(Cl)cc(C=O)c2O1	114356421	LCOWVKYITXYUHJ-UHFFFAOYSA-N	224.687	3.256	0	50	BGAA	
O=Cc1cc(-c2ccccc2Cl)cnc1F	261507875	NDIUVNLZADOVES-UHFFFAOYSA-N	235.645	3.354	0	50	BGAA	
CC[C@@H](C(=O)O)N1CCCC(CC)(CC)CC1	263574636	NTWHTQOXHQGIEY-LBPRGKRZSA-N	241.375	3.142	0	50	BGAA	
Cc1coc(SCc2ncoc2C(F)F)n1	1775997594	IVZJYBHBVCMGTJ-UHFFFAOYSA-N	246.238	3.201	0	50	BGAA	
O=C(Nc1cc(-c2ccccc2)no1)C1CCC1	1851367095	RECHUMVZDVOCOO-UHFFFAOYSA-N	242.278	3.080	0	50	BGAA	
Fc1cccc(-c2nccn2C2CC2)c1	1875245339	VUGHPVUKXBTNQA-UHFFFAOYSA-N	202.232	3.024	0	50	BGAA	
O=Cc1ccc(-c2ccccc2Cl)o1	35749	ONQOZTFAOFZDFK-UHFFFAOYSA-N	206.628	3.413	0	50	BGAA	biogenic,in-vitro
Cc1ccc(O[C@H]2CCCCO2)c2c1C(=O)CC2	393113	VVHPQNHHOVBXEG-AWEZNQCLSA-N	246.306	3.029	0	50	BGAA	
C[C@@H]1CCC[C@H](NC(=O)Nc2ccccc2)C1	406695	UXGLJMTVLABYEG-YPMHNXCESA-N	232.327	3.387	0	50	BGAA	
CC[C@](C)(O)c1ccc(Br)cc1	409763	NJHFESJPVIPUEY-JTQLQIEISA-N	229.117	3.067	0	50	BGAA	
O=C1C[C@H](c2ccccc2)c2ccccc21	1042108	SIUOTMYWHGODQX-CQSZACIVSA-N	208.260	3.405	0	50	BGAA	biogenic,in-vitro
C[C@H]1CN(C)[C@H](C)c2c1oc1ccc(N)cc21	2565473	QMKJMCYBXWJHIO-DTWKUNHWSA-N	230.311	3.125	0	50	BGAA	
Clc1cnc(Br)cc1Cl	35569826	HLTZXARVZDCGTL-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
O=C(O)c1c(Cl)cccc1C(F)(F)F	38284215	OHWGZCNPFKBCDJ-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	in-vitro
Sc1nc2cccc(Cl)c2s1	38325309	VPDPFMGWDPYVEK-UHFFFAOYSA-N	201.703	3.238	0	50	BGAA	in-vitro
CCOC(=O)c1cc(C(F)(F)F)ccc1F	44200372	UPCKWFBEEKNVIC-UHFFFAOYSA-N	236.164	3.021	0	50	BGAA	
COc1cc2ccccc2cc1C(OC)OC	74937935	ZWXYMZAXVVUMGL-UHFFFAOYSA-N	232.279	3.140	0	50	BGAA	in-vitro
C1=C[C@H](n2ccnc2-c2cncs2)CCC1	1875244061	KTPKIPDLPYBAKW-JTQLQIEISA-N	231.324	3.288	0	50	BGAA	
Nc1ccc2oc(-c3ccc(F)cc3)nc2c1	38190	OHKSDBATRIWCTK-UHFFFAOYSA-N	228.226	3.216	0	50	BGAA	in-vitro
NC[C@H](Cc1ccccc1F)c1ccccc1	112544	AVXOIIFYQXGQRL-AWEZNQCLSA-N	229.298	3.111	0	50	BGAA	
CC(C)CNC(=O)c1ccc(C(C)(C)C)cc1	126232	MEHAOUKZKMUZMN-UHFFFAOYSA-N	233.355	3.370	0	50	BGAA	
Fc1ccc(CNCc2ccc(F)cc2)cc1	360319	YKFNPVWWPPJNAQ-UHFFFAOYSA-N	233.261	3.255	0	50	BGAA	
CCC(CC)NC(=O)c1ccccc1Cl	455619	HIAMHXJNVIHIAZ-UHFFFAOYSA-N	225.719	3.258	0	50	BGAA	
Cc1ccc([C@@H](N)c2cccs2)cc1	4206342	CFTDRQBJPRGTHP-GFCCVEGCSA-N	203.310	3.105	0	50	BGAA	
CC(=O)Nc1ccc(OCCC(C)C)cc1	6883303	HTFRCOOBBWHOEH-UHFFFAOYSA-N	221.300	3.070	0	50	BGAA	
COc1ccc(-c2cc3cccnc3[nH]2)cc1	13492988	SHISXEDJQZVJAL-UHFFFAOYSA-N	224.263	3.239	0	50	BGAA	in-vitro
O=C(O)CCCCCCC(=O)Nc1ccccc1	14616789	PAXDAFSGJPGLGR-UHFFFAOYSA-N	249.310	3.050	0	50	BGAA	in-vitro
CC(=O)c1c(F)ccc(Cl)c1Cl	16125603	VHFIYTUVCUSGMN-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	
Cc1cccc(C(=O)N(C)C2CCCC2)c1	32845569	BALHFJSISOPFRE-UHFFFAOYSA-N	217.312	3.010	0	50	BGAA	
COC(=O)c1ncccc1-c1ccc(Cl)cc1	36473933	YSQIBSWCYRWXHS-UHFFFAOYSA-N	247.681	3.189	0	50	BGAA	
CC(C)c1cc(Br)ccc1N	36532770	PDLOJYJGXWKSQW-UHFFFAOYSA-N	214.106	3.155	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)C2CCCC2)cc1	45174604	KCDDWQSOYKGGCP-LBPRGKRZSA-N	231.339	3.362	0	50	BGAA	
COc1ccc2c(c1)[C@H](C)Cc1cnoc1-2	71774142	TVUGVWQSKQDPLI-MRVPVSSYSA-N	215.252	3.010	0	50	BGAA	
CCC(CC)NC(=O)CCc1ccc(F)cc1	72437376	CMQQCWAJKSKRAD-UHFFFAOYSA-N	237.318	3.063	0	50	BGAA	
COC1=N[C@]2(C)C(C)=C(C)[C@@]3(C)[C@@]2(C)[C@]13C	101037886	YCQKYUSVJJMVNR-SYQHCUMBSA-N	219.328	3.186	0	50	BGAA	
O=C(O)c1ccc(Sc2ccc(F)cc2)cn1	130109044	VJYIXIUWMDZAAX-UHFFFAOYSA-N	249.266	3.070	0	50	BGAA	
Cc1occc1SCc1nnc(C)n1C1CC1	131475335	VLVOZHGGBJPXCQ-UHFFFAOYSA-N	249.339	3.115	0	50	BGAA	
COc1c(F)c(C)cc(Br)c1F	261493706	HPOJPWVWWQWMQR-UHFFFAOYSA-N	237.043	3.044	0	50	BGAA	
CC(C)C[C@@H](NCC(C(C)C)C(C)C)C(=O)O	261565350	YFCVLVOYGGDVEM-CYBMUJFWSA-N	243.391	3.004	0	50	BGAA	
Cc1csc(CN2CC[C@@H]3CCCC[C@H]32)n1	685939636	GTSSGLHDBIJLLM-NWDGAFQWSA-N	236.384	3.216	0	50	BGAA	
C[C@H](NCC1CSC1)[C@@H]1C[C@H]1c1ccccc1	952883579	VHZLKIHMJCJPSP-CQDKDKBSSA-N	247.407	3.131	0	50	BGAA	
Fc1cccc(C2CC2)c1-c1cncnc1	1250599860	LYQHDUZHVNCSJR-UHFFFAOYSA-N	214.243	3.160	0	50	BGAA	
Cc1sc(-c2c(F)cccc2F)nc1O	172989	RPAWPXDEUHKBER-UHFFFAOYSA-N	227.235	3.102	0	50	BGAA	
C[C@H](CCc1cccc2ccccc12)C(=O)O	392923	OREYBNSOYMNZSG-LLVKDONJSA-N	228.291	3.493	0	50	BGAA	
Cn1cc([C@H](O)C(F)(F)Cl)c2ccccc21	1399178	QLSSCVGNLZEJLF-JTQLQIEISA-N	245.656	3.043	0	50	BGAA	
c1ccc(CC[n+]2ccc3ccccc3c2)cc1	1668292	DMZARGLVDWKKQW-UHFFFAOYSA-N	234.322	3.370	0	50	BGAA	
CCCNC(=O)Cc1coc2cc(C)cc(C)c12	2871778	SBGLZECKMHTYSK-UHFFFAOYSA-N	245.322	3.118	0	50	BGAA	
CCCN(Cc1cnc(Cl)s1)CC1CC1	3884438	ZXEIJEITQMYTKG-UHFFFAOYSA-N	244.791	3.419	0	50	BGAA	
COc1ccc([C@H](O)c2ccc(C)cc2)cc1	4267990	STWAGNDOTLFTSV-OAHLLOKOSA-N	228.291	3.085	0	50	BGAA	
COC(=O)c1ccc2oc3ccccc3c2c1	4798766	QSQTUIVYNKZDHU-UHFFFAOYSA-N	226.231	3.373	0	50	BGAA	
CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)cc1	13745883	ANRBQMHVGXOLNO-RYUDHWBXSA-N	234.343	3.154	0	50	BGAA	
CCCn1nc(C)c2[nH]c(-c3cccs3)nc21	19145377	RCRCOHIXYGECAB-UHFFFAOYSA-N	246.339	3.206	0	50	BGAA	
Cc1cccc2cc3cc(C(=O)O)sc3nc12	19236736	GAKUIFOTAALGHN-UHFFFAOYSA-N	243.287	3.456	0	50	BGAA	
FC(F)(F)CNc1ccc(Cl)cc1	20051181	IPGVRHNLRNFLOP-UHFFFAOYSA-N	209.598	3.314	0	50	BGAA	
FC(F)(F)c1ccc(-c2cocn2)cc1	60188984	BTZWCQXESYHHBK-UHFFFAOYSA-N	213.158	3.360	0	50	BGAA	
O=Cc1c(F)cc(Cl)cc1Br	85210020	MHISGFZIXPJJRW-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	in-vitro
C[C@@H](CCCC(C)(C)O)N[C@H]1C[C@H]2CC[C@H]1C2	103407310	UMCMZLWKTDRKEK-XUXIUFHCSA-N	239.403	3.094	0	50	BGAA	
Oc1ccc2nc(C(F)(F)F)sc2c1	215659842	OUHJPZVFPZECGP-UHFFFAOYSA-N	219.187	3.021	0	50	BGAA	
O=[N+]([O-])/C=C/c1ccc(Cl)c(Cl)c1	101861	XHGCFWXSHIHYFH-ONEGZZNKSA-N	218.039	3.241	0	50	BGAA	
O=C(O)c1ccc(-c2ccccc2F)cc1	111037	SLKZDWAZOKIEEU-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vitro
CCC[C@H](C)NC(=S)Nc1ccccc1	563046	MGZNNUPAFJANIH-JTQLQIEISA-N	222.357	3.162	0	50	BGAA	
CCC(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2	4894209	SXLCTBVNFCXKEE-QFGHMXTESA-N	235.371	3.118	0	50	BGAA	
CCCCCOc1ccc(C=O)cc1OCC	5175417	BYYLQWYSRDRNLN-UHFFFAOYSA-N	236.311	3.467	0	50	BGAA	
C/C(=C\c1ccc(Cl)cc1Cl)C(=O)O	5220651	RRFQDBWWFNMLQO-GQCTYLIASA-N	231.078	3.481	0	50	BGAA	
C[C@H](NC(=O)Nc1ccccc1F)C(C)(C)C	6725448	SVUHZWYPDDLCQF-VIFPVBQESA-N	238.306	3.382	0	50	BGAA	
COc1ccc(-c2sccc2C)cn1	13607074	IQQZVQCGMQNLDT-UHFFFAOYSA-N	205.282	3.127	0	50	BGAA	
CN(CC1CCCCC1)C[C@H](O)c1ccccc1	23281054	RFXDFZSLQRIGGP-INIZCTEOSA-N	247.382	3.232	0	50	BGAA	
CCOC(=O)c1ccc(Oc2ccccc2)nc1	44201018	SIHZAJVQDVDJPG-UHFFFAOYSA-N	243.262	3.051	0	50	BGAA	
CC1=CC(C)(C)N(C)c2cc(C)c(C=O)cc21	78582563	JGEOKZXKUZEPQD-UHFFFAOYSA-N	229.323	3.439	0	50	BGAA	in-vitro
FC(F)(F)c1cc(NC2CCCCC2)[nH]n1	79387748	GQTLOKVXGKQXGF-UHFFFAOYSA-N	233.237	3.173	0	50	BGAA	
N[C@@H]1CCCCc2cc(Br)ccc21	238580959	AFDXZIWLADRNIM-LLVKDONJSA-N	240.144	3.175	0	50	BGAA	
O=C(O)C[C@H]1CC[C@@H](c2ccccc2)CC1	238657536	PBYZBGVGPMEGRS-AULYBMBSSA-N	218.296	3.435	0	50	BGAA	
CCCCOc1cc(O)cc(Br)c1	261493609	FUQXFIMIZNAROW-UHFFFAOYSA-N	245.116	3.334	0	50	BGAA	
CC(C)(C)OC(=O)n1cccc1C(F)(F)F	306279881	ZTXUBBBNFDANEC-UHFFFAOYSA-N	235.205	3.290	0	50	BGAA	
CCc1c(C)nc2ccc(C(=O)O)cc2c1Cl	247835	ZFXUIFLCUHCIMS-UHFFFAOYSA-N	249.697	3.457	0	50	BGAA	
CN1c2ccccc2CC(=O)c2ccccc21	390537	WYGCMGHBEUGWNS-UHFFFAOYSA-N	223.275	3.193	0	50	BGAA	
C[C@@H](C(=O)O)c1ccc(Cc2ccccc2)cc1	395743	VDWRLRLDYGNXNT-GFCCVEGCSA-N	240.302	3.466	0	50	BGAA	
CCOc1cc(C)cc2oc(=O)cc(CC)c12	1164372	MZLCDXXQGYGBLR-UHFFFAOYSA-N	232.279	3.063	0	50	BGAA	biogenic
CN[C@@H](Cc1ccccc1)c1ccccc1	1667164	GNMNPHPUCWQGJK-HNNXBMFYSA-N	211.308	3.190	0	50	BGAA	in-vitro
Nc1nc(CC23CC4CC(CC(C4)C2)C3)cs1	3878911	LANJJRUDAXCWPQ-UHFFFAOYSA-N	248.395	3.484	0	50	BGAA	
CC(C)c1ccc(CNC[C@H]2CCCO2)cc1	4992718	MOLBNKNCTMSTFQ-OAHLLOKOSA-N	233.355	3.079	0	50	BGAA	
CC[C@H](C)NCc1cccc(Br)c1	5907933	PIKQKBKACWXYHW-VIFPVBQESA-N	242.160	3.337	0	50	BGAA	
Cc1nc2ncccc2c(C)c1Br	11919342	GICYHTGGELQYMG-UHFFFAOYSA-N	237.100	3.009	0	50	BGAA	
O=C(O)[C@H](c1ccccc1)[C@@H]1C=CCCC1	34539333	LOSBWJVOKBTXJJ-CHWSQXEVSA-N	216.280	3.211	0	50	BGAA	
Nc1cccnc1-c1cnc2ccc(F)cc2c1	426392642	BEWGVAKDGICFGI-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
COC(=O)c1cccc2c1NC(C)(C)C[C@@H]2C	616591769	RGRKMDHVYJTEQO-VIFPVBQESA-N	233.311	3.171	0	50	BGAA	
CCc1nc(C2CCC2)nc(Cl)c1F	642883258	MGJYOTUCXRIHSF-UHFFFAOYSA-N	214.671	3.099	0	50	BGAA	
Cc1n[nH]c(C)c1CN[C@H](C)C1=CCCCC1	952970320	KIZJHVQOVYLURC-SNVBAGLBSA-N	233.359	3.005	0	50	BGAA	
Cc1ccc(CCNc2ccccc2)cn1	54763	NYZHDBKVHXVXBL-UHFFFAOYSA-N	212.296	3.045	0	50	BGAA	biogenic
CC(C)(c1ccc(O)cc1)c1ccc(O)cc1	56434	IISBACLAFKSPIT-UHFFFAOYSA-N	228.291	3.424	0	50	BGAA	endogenous,in-man
CC(=O)c1ccc(Nc2nc(C)cc(C)n2)cc1	150123	KFRUEQDRNCSEGM-UHFFFAOYSA-N	241.294	3.040	0	50	BGAA	
COc1ccc(-c2nc3ccccc3n2C)cc1	321950	DAIPJPQHLYRKSZ-UHFFFAOYSA-N	238.290	3.249	0	50	BGAA	
Cc1ccc(NC(=O)N2CCCC[C@H]2C)cc1	2362498	CDOULOFQWPXBSH-GFCCVEGCSA-N	232.327	3.401	0	50	BGAA	
Cc1cccc(OCCCNC(C)(C)C)c1	2902726	JRJOLNOQQQRSDE-UHFFFAOYSA-N	221.344	3.152	0	50	BGAA	
CC(=O)N[C@@H]1C(c2ccccc2)=Cc2ccccc21	5480972	DWGBALUGXMXWOZ-KRWDZBQOSA-N	249.313	3.418	0	50	BGAA	
Cc1ccc(NC(=S)Nc2cccnc2)cc1	7526200	DJKLGEMGBBZEJQ-UHFFFAOYSA-N	243.335	3.199	0	50	BGAA	
CCOc1c(F)cc(Br)cc1F	34243741	NDUBLGNFIPJKSL-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	in-vitro
Cc1cccc(CCCNC(=O)C2CCCC2)c1	72117507	ZKODFLXEOAIVJA-UHFFFAOYSA-N	245.366	3.234	0	50	BGAA	
O=C(c1ccsc1)c1coc2cc(O)ccc12	170622829	WIFRZVQQVHQWLM-UHFFFAOYSA-N	244.271	3.431	0	50	BGAA	
CC(C)c1ccc(-c2cnn3c2OCCC3)cc1	857901227	ISUUAUNLDUXJEM-UHFFFAOYSA-N	242.322	3.456	0	50	BGAA	
COc1ccc(C)cc1-c1nncc(C)c1C	2100483994	XLBDJWODVDAHFA-UHFFFAOYSA-N	228.295	3.077	0	50	BGAA	
CC(C)c1nccc(-c2ocnc2CC2CC2)n1	2356136749	HXRORCFNHGNQRN-UHFFFAOYSA-N	243.310	3.208	0	50	BGAA	
c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1	97949	VEZJRJGLFIXQHG-UHFFFAOYSA-N	234.262	3.106	0	50	BGAA	
CC(=O)Nc1ncc(Cc2ccc(C)cc2)s1	134118	XDAWWSALLIQKLU-UHFFFAOYSA-N	246.335	3.001	0	50	BGAA	
CC[C@@H](C(=O)O)c1ccc(CC(C)C)cc1	395681	UULSXYSSHHRCQK-CYBMUJFWSA-N	220.312	3.463	0	50	BGAA	in-man
COc1ccc(Cl)cc1C(=O)C(F)(F)F	2579842	DXOBROLESRNYMS-UHFFFAOYSA-N	238.592	3.094	0	50	BGAA	
Brc1ccc([C@H]2CCCCN2)cc1	3734447	GHEZGFYJGORZRD-LLVKDONJSA-N	240.144	3.264	0	50	BGAA	in-vitro
CCCCc1ccc(NC(=O)NC2CC2)cc1	6699045	LTPBNEZKJMRXPJ-UHFFFAOYSA-N	232.327	3.313	0	50	BGAA	
CSc1ccc(-c2ccc(N)nc2)cc1	16946527	PASVSYPWLDYLMD-UHFFFAOYSA-N	216.309	3.053	0	50	BGAA	in-vitro
Cc1ccc(C)c(C(=O)NCCC(C)C)c1	47650725	MDCHQYHABOJZSM-UHFFFAOYSA-N	219.328	3.079	0	50	BGAA	
Nc1nc2cc(-c3ccccc3)ccc2o1	52066061	OEPIONHEDWZNDO-UHFFFAOYSA-N	210.236	3.077	0	50	BGAA	
Fc1c(Br)ccc2[nH]ccc12	85221349	OBGNVOLKFFCMAM-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
CCOC(=O)c1ccc2c(c1)[C@H]1C=C[C@H]2C1	100939767	VSHAPUJEHFCURQ-UWVGGRQHSA-N	214.264	3.004	0	50	BGAA	
Oc1cccc(Oc2cccc(F)c2)c1	143422958	OKFJENFQAYFRHV-UHFFFAOYSA-N	204.200	3.324	0	50	BGAA	
COc1cc(C(C)=O)cc2ccccc12	382684072	GCQRRGYKVRTVRE-UHFFFAOYSA-N	200.237	3.051	0	50	BGAA	
Cc1nc(Cc2nc(C)c(C)s2)cs1	585098482	WMZZTCSNYXKBLX-UHFFFAOYSA-N	224.354	3.116	0	50	BGAA	
COc1cncc(-c2ccc3c(c2)CCC3)c1	649425545	XVIMKKHHIIPWTR-UHFFFAOYSA-N	225.291	3.246	0	50	BGAA	
CCC(=O)Nc1cc(Cl)cc(Cl)c1	142033	LHMVKQWXRUZZJG-UHFFFAOYSA-N	218.083	3.342	0	50	BGAA	
O=c1cc(-c2ccccc2)c2ccc(O)cc2o1	162733	IVJMJRRORVMRJJ-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	biogenic,in-vivo
CC[C@H](C)c1ccc(NC(=O)CCC(=O)O)cc1	461555	ZMDBCHPWMLPLGB-JTQLQIEISA-N	249.310	3.003	0	50	BGAA	
Brc1ccc([C@@H]2CCCCN2)cc1	2582620	GHEZGFYJGORZRD-NSHDSACASA-N	240.144	3.264	0	50	BGAA	in-vitro
Cc1ccc(C)c([C@H](O)c2ccccc2)c1	4072048	LUJWENMJIFKTGB-OAHLLOKOSA-N	212.292	3.385	0	50	BGAA	
CCSc1ncnc2c1oc1ccccc12	4106812	SXPXYNJSVYTXNB-UHFFFAOYSA-N	230.292	3.488	0	50	BGAA	
CCC(=O)c1ccc(O[C@@H]2CCCCO2)cc1	4566101	CVEVWMZMIUSRCW-CQSZACIVSA-N	234.295	3.185	0	50	BGAA	
Cc1cc(C)cc(NC(=O)c2ccoc2C)c1	5535111	PGZSDVVKNIWAQT-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
CC(=O)Nc1ccc(OC2CCCCC2)cc1	12137853	IHBVNSDAMUYHQL-UHFFFAOYSA-N	233.311	3.357	0	50	BGAA	
CNc1nc2ccc(Br)cc2s1	34936109	RVCBMFKGDVUUDF-UHFFFAOYSA-N	243.129	3.101	0	50	BGAA	
Brc1ccc2[nH]nc(C3CC3)c2c1	38540629	JRSSYANVUSLZAY-UHFFFAOYSA-N	237.100	3.203	0	50	BGAA	in-vitro
Fc1cc(Cl)ccc1OCC(F)(F)F	113775079	BPTRNSVGAPPRGY-UHFFFAOYSA-N	228.572	3.420	0	50	BGAA	
CC(=O)C(C)(C)C1=C[C@@H]2C=C[C@@H]3C=C[C@@H]1[C@@H]32	216397230	BPFQWIATIYHZIM-UHXUPSOCSA-N	214.308	3.146	0	50	BGAA	
Cn1nccc1-c1nc(-c2ccccc2)cs1	426445467	HEWOYEFSQDFONG-UHFFFAOYSA-N	241.319	3.211	0	50	BGAA	
CCCO[C@@H]1CC(=O)CCC12CCCC2	725362671	UTUXJAVWWIDGAA-GFCCVEGCSA-N	210.317	3.095	0	50	BGAA	
CCCc1cnc(NCc2cnsc2)s1	1615907790	ASJOTBDTBSZNII-UHFFFAOYSA-N	239.369	3.164	0	50	BGAA	
CC[C@@H](C)c1cc(O)nc(-c2cccc(O)c2)n1	1776004246	PLWCTPXOKHODHQ-SECBINFHSA-N	244.294	3.068	0	50	BGAA	
CC(C)(C)NC(=O)c1ccc2ccccc2c1	24397	GNUOLOZPACRWMI-UHFFFAOYSA-N	227.307	3.368	0	50	BGAA	in-vitro
CCOc1ccc(NC(=O)C(C)(C)CC)cc1	373343	ULRLUXXZKFRTJG-UHFFFAOYSA-N	235.327	3.460	0	50	BGAA	
CC(C)(C)NC(=O)c1cccc2ccccc12	408050	XILMPRKWMQTLRM-UHFFFAOYSA-N	227.307	3.368	0	50	BGAA	
Nc1ccc2ccccc2c1Br	410012	WENXBAFANCRIGK-UHFFFAOYSA-N	222.085	3.185	0	50	BGAA	in-vitro
O=C(CC1CCCCC1)NCc1ccccc1	451485	GJTUFBPQCIXLCW-UHFFFAOYSA-N	231.339	3.273	0	50	BGAA	biogenic
COCc1nc2ccccc2n1CCC(C)C	617655	APMAXDVSCKKDOH-UHFFFAOYSA-N	232.327	3.229	0	50	BGAA	
CC(C)(C)c1ccc(C(=O)CCCC(=O)O)cc1	2579955	AFFDWEJUANCIGY-UHFFFAOYSA-N	248.322	3.422	0	50	BGAA	
Clc1ccc(OCCNC2CCCC2)cc1	4985662	LDNIMAODXAHBQJ-UHFFFAOYSA-N	239.746	3.251	0	50	BGAA	
CC(C)(C)CC(C)(C)NCc1cccnc1	6697343	SWMJHNXDXLDDFI-UHFFFAOYSA-N	220.360	3.386	0	50	BGAA	
CCCCNCc1cc(Cl)ccc1OC	7261653	QOEQEYMBEVSUSM-UHFFFAOYSA-N	227.735	3.238	0	50	BGAA	
C[C@H](NC[C@H](O)c1ccccc1)c1ccccc1	25436925	VKWJLDQFNZKCCM-BBRMVZONSA-N	241.334	3.071	0	50	BGAA	
CCC(C)(C)Oc1cc(C)ccc1CN	51580870	CYERVTHTFPWIMB-UHFFFAOYSA-N	207.317	3.021	0	50	BGAA	in-vitro
CCC/C=C/c1ccc(-c2nc(C)no2)cn1	67834028	GNFKLHUTMOXIRI-AATRIKPKSA-N	229.283	3.253	0	50	BGAA	
COc1c(F)c(F)cc(C(F)(F)F)c1F	85650646	GISJMPLGYARJLZ-UHFFFAOYSA-N	230.107	3.131	0	50	BGAA	
C[C@@H]1CCO[C@H]1c1nc(C2CCCCC2)no1	128726412	NZWQQYNNIBPJOT-MWLCHTKSSA-N	236.315	3.215	0	50	BGAA	
Cc1occc1SCc1ccc(CO)cc1	131571940	UDBGZQLMEWAJMB-UHFFFAOYSA-N	234.320	3.373	0	50	BGAA	
CCOC(=O)c1cc2ccccc2cc1C	197179978	RGGFZDYWLAMCSN-UHFFFAOYSA-N	214.264	3.325	0	50	BGAA	
O=C(Nc1ccc(F)cc1)[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	246420305	CLZFVBKHUUDYLC-XXINRUCKSA-N	245.297	3.056	0	50	BGAA	
O=C(O)[C@@H]1[C@H]2CC/C=C\CC/C=C/CC[C@@H]21	253360458	IOZRVTUKBUOZNP-YAWATIIOSA-N	220.312	3.400	0	50	BGAA	
C=CC(=O)Nc1ccc([C@]2(C)CC2(F)F)cc1	1776005758	GRDSWBVGUVRCKB-LBPRGKRZSA-N	237.249	3.108	0	50	BGAA	
CN(C)c1ccc(-c2ocnc2CC2CC2)cc1	2356162976	NYRKTBVQUWVCMC-UHFFFAOYSA-N	242.322	3.360	0	50	BGAA	
Cc1ccc(N2Cc3ccccc3C2=N)cc1	188309	BQWGRIRFMISXDH-UHFFFAOYSA-N	222.291	3.341	0	50	BGAA	
COc1ccc(NC(=O)C2CCCCC2)cc1	405868	HIXKKTIDKQKPNN-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1F)c1ccco1	476874	ISJMYAJEXUVRCH-UHFFFAOYSA-N	239.633	3.324	0	50	BGAA	
CC[C@H](C(=O)NCCC(C)C)c1ccccc1	2061834	CIBQYIOZYGJTII-AWEZNQCLSA-N	233.355	3.343	0	50	BGAA	
BrC1=C(Br)CCC1	2539328	PNWFXPGGROADNS-UHFFFAOYSA-N	225.911	3.172	0	50	BGAA	in-vitro
N[C@@H]1CC2(CCCCC2)Oc2ccccc21	11730161	PFYRBUIZTFCYNP-GFCCVEGCSA-N	217.312	3.172	0	50	BGAA	
CC(C)(C)c1cccc(Br)n1	16697059	QMVOIXCANJLTGO-UHFFFAOYSA-N	214.106	3.142	0	50	BGAA	in-vitro
Cc1ccc(N[S@](=O)c2ccc(C)cc2)cc1	38213082	ADEMTMVCZJRJTA-KRWDZBQOSA-N	245.347	3.438	0	50	BGAA	
CC(C)(C)OC(=O)N1CCCc2ccccc21	39120831	GVSRWAIRQCMAHG-UHFFFAOYSA-N	233.311	3.374	0	50	BGAA	in-vitro
CCC[C@H](C)NC(=O)c1ccc(Cl)cc1F	51203657	OPCCADVZKZDHAI-QMMMGPOBSA-N	243.709	3.398	0	50	BGAA	
CCC/C=C/c1ncccc1C(=O)N1CCCC1	67872098	FXWRTPOWBSQNOM-RUDMXATFSA-N	244.338	3.131	0	50	BGAA	
COc1ccc(-c2ccc(Cl)cc2)cn1	74938337	MFGIPJHITFHLDJ-UHFFFAOYSA-N	219.671	3.411	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)N1CCCc2cc(O)ccc21	90714440	OGBQDYFDULGJAL-UHFFFAOYSA-N	249.310	3.080	0	50	BGAA	
Clc1ccc(SC[C@@H]2CO2)c(Cl)c1	97758865	MSFHMTLEJOJLPC-ZETCQYMHSA-N	235.135	3.484	0	50	BGAA	
Cc1csc([Si](C)(C)C(C)(C)C)n1	169919189	OHCKALFODDMEQM-UHFFFAOYSA-N	213.422	3.167	0	50	BGAA	in-vitro
CC[C@@H]1C[C@H]1NC(=O)c1cc2cc(C)ccc2o1	170627020	MHSAXCJYAKYOCO-ZYHUDNBSSA-N	243.306	3.270	0	50	BGAA	
CC(C)S[C@@H]1CC(=O)CCC1(C)C	725361915	OSTURBUSNBEBSI-SNVBAGLBSA-N	200.347	3.276	0	50	BGAA	
CNC(=O)N(c1ccccc1)c1ccccc1	169165	IMFYAZJNDOZIFV-UHFFFAOYSA-N	226.279	3.164	0	50	BGAA	
O=c1cc(C(F)(F)F)oc2ccc(Cl)cc12	189063	BLDVZOZULZEBME-UHFFFAOYSA-N	248.587	3.465	0	50	BGAA	
Cn1c2ccccc2c2cc(C(=O)O)ccc21	2140081	HKCYYHQXRCUSRQ-UHFFFAOYSA-N	225.247	3.030	0	50	BGAA	biogenic,in-vitro
O=C(Nc1cccc2ncccc12)c1ccco1	2811659	RTLXUTAWQFBTKH-UHFFFAOYSA-N	238.246	3.080	0	50	BGAA	
Cc1cc(C)cc(OCCCNC(C)(C)C)c1	2900122	FHHVIZBMEKEYCV-UHFFFAOYSA-N	235.371	3.460	0	50	BGAA	
Cc1ccc([C@@H](O)c2ccc(F)c(F)c2)cc1	4255197	LVAMGOVTYHHEHV-CQSZACIVSA-N	234.245	3.355	0	50	BGAA	
CCCCC[C@H](C)NC(=O)COc1ccccc1	5465019	HOAPMSIUXDBLJR-ZDUSSCGKSA-N	249.354	3.150	0	50	BGAA	
C[C@H]1CN(CC[C@@H](C)c2ccccc2)C[C@@H](C)O1	16662937	PMGQZHMNKYVKJY-KFWWJZLASA-N	247.382	3.289	0	50	BGAA	
C1CC[C@@H]2S[C@@H]3CCCC[C@H]3N=C2C1	19865172	IRXYYHMSABSUEY-JLLWLGSASA-N	209.358	3.428	0	50	BGAA	
CC(C)(C)OC(=O)N[C@H]1C[C@H]1c1ccccc1	82610339	MBZAGPLGLMIZOL-RYUDHWBXSA-N	233.311	3.067	0	50	BGAA	
Cc1cc(Cl)c(Br)cc1C(=O)O	217641995	NPFBIMPPQTYNEM-UHFFFAOYSA-N	249.491	3.109	0	50	BGAA	
CCOc1c(F)cc(Cl)c(C)c1F	261494100	PWXHDLXJPQGHQY-UHFFFAOYSA-N	206.619	3.325	0	50	BGAA	
Cc1c(F)cc(F)cc1OC(F)(F)F	263625190	XOOIUBJSCOGHNX-UHFFFAOYSA-N	212.117	3.172	0	50	BGAA	
O=C(CC1=CCCCC1)N1CC2(CCCC2)C1	336516539	UHVQIYGOYUDAJF-UHFFFAOYSA-N	233.355	3.280	0	50	BGAA	
COC1(C[C@@H](C)NCc2ccccc2)CCC1	408514647	LWWVZXZCJQNJGV-CYBMUJFWSA-N	233.355	3.124	0	50	BGAA	
CCSCCNc1ccc2ccnc(O)c2c1	424581019	YBTFPTAWFLKRHL-UHFFFAOYSA-N	248.351	3.105	0	50	BGAA	
Cc1ccc2c(c1)[C@@H](c1ccccc1)C(=O)O2	353625	OKEUDFGIAMSXGC-CQSZACIVSA-N	224.259	3.046	0	50	BGAA	
CCCCN(C)C(=O)Nc1ccccc1C	2166580	DADMOCVYMNVKFQ-UHFFFAOYSA-N	220.316	3.259	0	50	BGAA	
CC(=O)O[C@@H](C)C[C@H](C)CC(C)(C)C	2267882	NBDTZVVEDLDLSG-UWVGGRQHSA-N	200.322	3.400	0	50	BGAA	
CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O	2526780	SPVZAYWHHVLPBN-AVCLAYCWSA-N	242.624	3.028	0	50	BGAA	in-vitro
Cc1ccccc1COc1cccc(C=O)c1	2558321	QKKIJGYPNRUDIG-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
O=C1CCCC[C@@H]1C(=O)c1ccc(Cl)cc1	2579290	MNCFWYXCYZTXJU-NSHDSACASA-N	236.698	3.282	0	50	BGAA	
CC(C)C[C@H]1CCC[C@H](CC(C)C)N1CCO	5092711	VCBVSHSBEVILBE-HUUCEWRRSA-N	241.419	3.294	0	50	BGAA	
CCCc1nnc(S)n1C1CCCCC1	5855383	YSTXSTIICRUPTD-UHFFFAOYSA-N	225.361	3.025	0	50	BGAA	
Cc1cccc(CC(=O)Nc2cccc(C)c2)c1	6742610	PZTBSZWALZNZGP-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
Cc1ccc(C(=O)N[C@H](C)C(C)(C)C)s1	13331799	CLGIUCWRIXPHDN-SECBINFHSA-N	225.357	3.221	0	50	BGAA	
COc1cc(-c2ccccc2F)ccc1O	65342293	YGOPENVOCUYIPQ-UHFFFAOYSA-N	218.227	3.207	0	50	BGAA	in-vitro
Cc1nc(C(F)(F)F)ccc1Br	85223672	VKKRFOKZVOJQNN-UHFFFAOYSA-N	240.022	3.171	0	50	BGAA	
CCCc1noc(C[C@H]2CCc3ccccc32)n1	95374236	VORYZMJRPPFTTB-GFCCVEGCSA-N	242.322	3.295	0	50	BGAA	
CC(C)(C)C(=O)N1CCC[C@]2(CC=CCC2)C1	114438874	CDCABEPIAYTYLE-OAHLLOKOSA-N	235.371	3.381	0	50	BGAA	
CC1(C)C[C@@H]1C(=O)NC1CCCCCCC1	131600940	PWWUSVRKXGDTSR-GFCCVEGCSA-N	223.360	3.262	0	50	BGAA	
CCN1c2ccc(C(=O)O)cc2C(C)=CC1(C)C	223793293	VKYISHSJRLSFSM-UHFFFAOYSA-N	245.322	3.407	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2	244507453	ZMIGPLLQWVBJJK-XDQVBPFNSA-N	235.371	3.214	0	50	BGAA	
CCc1nn(C)cc1-c1cc(C)c(OC)c(C)c1	1506411249	HOPIQLZYSNLHRK-UHFFFAOYSA-N	244.338	3.275	0	50	BGAA	
Cc1ccc(C(=O)c2cccc(N)c2)cc1C	50546	OLVMPYGFMSAMBB-UHFFFAOYSA-N	225.291	3.117	0	50	BGAA	in-vitro
Nc1cccn2c(-c3ccc(Cl)cc3)cnc12	168697	ZJBJYIVBMSSSNZ-UHFFFAOYSA-N	243.697	3.237	0	50	BGAA	
CCCN(CCC)C(=O)Cc1ccc(F)cc1	859710	HGPDNGAOACSKAA-UHFFFAOYSA-N	237.318	3.017	0	50	BGAA	
CC(C)=CCCC1=CCC(CO)(CO)[C@@H](C)C1	3881352	YRUGEWVTANIGAS-ZDUSSCGKSA-N	238.371	3.060	0	50	BGAA	biogenic
CCC(CC)C(=O)Nc1cc(C(=O)O)ccc1C	12030657	JXBTVWHOQDPLFN-UHFFFAOYSA-N	249.310	3.068	0	50	BGAA	
Cc1cc(-c2ccccc2C(=O)O)ccc1F	38068200	ROTAJIOMSNFATA-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
FC(F)(F)c1c(Cl)ccnc1Cl	40566672	NXLBDZNYRDNGIN-UHFFFAOYSA-N	215.989	3.407	0	50	BGAA	in-vitro
c1cc2c(c(-c3cccc4[nH]ccc34)c1)CCNC2	71422405	RHZHHZPZSFIXHI-UHFFFAOYSA-N	248.329	3.481	0	50	BGAA	
CC[C@H](C)Cc1nc(C)nn1Cc1ccccc1	95502565	GIPGKUZJKRJDDC-LBPRGKRZSA-N	243.354	3.223	0	50	BGAA	
C[C@H](N)c1ccc(SC(F)(F)F)cc1	95683442	LNAPOOBGPIVJHX-LURJTMIESA-N	221.247	3.318	0	50	BGAA	
C[C@@H]1CCCN(C(=O)c2csc(Cl)c2)C1	188896805	VYALHMVMOAERIY-MRVPVSSYSA-N	243.759	3.274	0	50	BGAA	
Cc1nc(-c2ncnn2C2CCCCC2)cs1	670439355	SAFQWBAFVGVLAP-UHFFFAOYSA-N	248.355	3.215	0	50	BGAA	
CNC(=O)c1cccc(-c2cccc(C)c2)c1	1239489219	MCHNYMNZSDUYOD-UHFFFAOYSA-N	225.291	3.022	0	50	BGAA	
CN(C)c1ccc(-c2ccc(N(C)C)cc2)cc1	74108	YRNWIFYIFSBPAU-UHFFFAOYSA-N	240.350	3.486	0	50	BGAA	biogenic
CCC12C[C@@H]3C[C@H](C1)CC(C(=O)O)(C3)C2	134944	ZJBLNYRNJSFPQO-ASZHBFLOSA-N	208.301	3.068	0	50	BGAA	in-vitro
COc1ccc(NCc2cccc(F)c2)cc1	279652	YMCXYFSBIFGLGL-UHFFFAOYSA-N	231.270	3.446	0	50	BGAA	
Cc1ccc(C)c(NC(=O)OC(C)C)c1	396595	LHMLLRJOZWEGCB-UHFFFAOYSA-N	207.273	3.260	0	50	BGAA	
c1ccc2c(CNC[C@H]3CCCO3)cccc2c1	576458	CLVXIFKQNMXQFQ-OAHLLOKOSA-N	241.334	3.108	0	50	BGAA	
Cc1ccc(-c2sc(C(=O)O)cc2C)o1	2538585	ZQZASOZGACCPDV-UHFFFAOYSA-N	222.265	3.323	0	50	BGAA	
COc1cc(OCc2ccccc2)ccc1C=O	2572617	HZLNIOUBXRIFML-UHFFFAOYSA-N	242.274	3.087	0	50	BGAA	in-vitro
CCCCCOc1cc(C)ccc1CN	51581060	GTUWGUTWNGVAJN-UHFFFAOYSA-N	207.317	3.023	0	50	BGAA	in-vitro
O=C(OCc1ccccc1)c1ccccc1	1021	SESFRYSPDFLNCH-UHFFFAOYSA-N	212.248	3.044	0	50	BGAA	aggregator,biogenic,world
COc1ccc(Oc2cccc(C=O)c2)cc1	56516	WLFDEVVCXPTAQA-UHFFFAOYSA-N	228.247	3.300	0	50	BGAA	in-vitro
CC(C)c1ccc(/C=C/C(=O)N2CCCC2)cc1	241781	UJHHWYYTIMMDOV-JXMROGBWSA-N	243.350	3.446	0	50	BGAA	
Cc1cccc(NC(=O)NCC(C)C)c1C	397079	FONUCOCLQBOOQF-UHFFFAOYSA-N	220.316	3.081	0	50	BGAA	
Cc1ccc(NC(=O)NCC(C)C)cc1Cl	397273	AQYCTTHGKVKPDW-UHFFFAOYSA-N	240.734	3.426	0	50	BGAA	
O=C(Nc1ccccc1)Nc1ccccc1F	1761720	RHYFYHWIDOXPHK-UHFFFAOYSA-N	230.242	3.470	0	50	BGAA	
Cc1cc(C)cc(C(=O)C(F)(F)F)c1	2378565	SOGZINXNLJBXMX-UHFFFAOYSA-N	202.175	3.048	0	50	BGAA	
Cc1cc(F)ccc1NC(=O)C1CCCC1	3431188	VTQHABDWOUMKCZ-UHFFFAOYSA-N	221.275	3.263	0	50	BGAA	
C[C@@H](c1ccccc1)n1c(C2CC2)n[nH]c1=S	4779412	HJLNYRJDIFXGMM-VIFPVBQESA-N	245.351	3.427	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)[C@H]1C[C@H]1C	13325714	LXNYSNLGKLXJCK-APPZFPTMSA-N	223.703	3.243	0	50	BGAA	
Cc1ccc(-c2cnc(N)nc2)c2ccccc12	32598332	PUMSVWVEHBDLDZ-UHFFFAOYSA-N	235.290	3.187	0	50	BGAA	
CC(C)(C)c1cc(Cl)cc(C(=O)O)c1	42689522	XMGFILMCFURRSS-UHFFFAOYSA-N	212.676	3.336	0	50	BGAA	in-vitro
C[C@@H]1CC(C)(C)Nc2c(C(=O)O)cccc21	64864325	XZQXSBCITTWAJB-MRVPVSSYSA-N	219.284	3.083	0	50	BGAA	biogenic
CN[C@H](CSc1ccc(Cl)cc1)C1CC1	82743801	QGEJRPJGUIROPL-GFCCVEGCSA-N	241.787	3.430	0	50	BGAA	
Cc1cc(NC(=O)c2coc(C3CC3)n2)cs1	634423932	FUDLPXOBOJTZFJ-UHFFFAOYSA-N	248.307	3.174	0	50	BGAA	
Clc1cc(Cl)nc(-c2ccccc2)n1	167895	NRFQZTCQAYEXEE-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	in-vitro
Clc1ccc(OCCN2CCCCC2)cc1	213769	CKSBIKCKBHFSFI-UHFFFAOYSA-N	239.746	3.205	0	50	BGAA	
O[C@H](c1ccccc1)c1nc2ccccc2s1	239242	CIGCMDAWHHOUBO-CYBMUJFWSA-N	241.315	3.378	0	50	BGAA	
O=C1c2ccccc2-c2c(F)cc(F)cc21	398869	IFBIRUISGJZSEF-UHFFFAOYSA-N	216.186	3.176	0	50	BGAA	
COc1ccccc1-c1noc(-c2ccco2)n1	2331711	OZGJXPIMHWRQIR-UHFFFAOYSA-N	242.234	3.005	0	50	BGAA	
CCCC[C@H](CC)CNC(=O)c1ccncc1	2738485	XGMKWXWOTWETKX-LBPRGKRZSA-N	234.343	3.028	0	50	BGAA	
C[C@H](NC(=S)N1CCCCC1)c1ccccc1	5672080	MMXFKXRSPLIZGU-LBPRGKRZSA-N	248.395	3.108	0	50	BGAA	
Cc1ccccc1NC(=O)Nc1ncccc1C	6701349	DTMHTIRAXZGNSA-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
COC(=O)Nc1cc(C(C)(C)C)ccc1OC	12381642	YUEKGKWEYAZCBF-UHFFFAOYSA-N	237.299	3.171	0	50	BGAA	
Fc1cccc(Oc2cc(Cl)ncn2)c1	37342069	MXRWBETZRNLTDT-UHFFFAOYSA-N	224.622	3.061	0	50	BGAA	
Brc1cccnc1OC1CCCC1	42376362	QZRZUVKOBQJBDD-UHFFFAOYSA-N	242.116	3.166	0	50	BGAA	
FC(F)(F)c1cccc(OCC2CC2)c1	65337409	LFSFJZXZWCYIMY-UHFFFAOYSA-N	216.202	3.494	0	50	BGAA	in-vitro
Cc1cccc(C2(N[C@@H]3CCSC3)CC2)c1	534585900	SMPQZTVQPHYDJI-CYBMUJFWSA-N	233.380	3.079	0	50	BGAA	
Nc1ccc(-c2cnc3cc(F)ccc3c2)cn1	1236312552	RUVXGRUEHRGDAM-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
O=C(CCC1CCCCC1)Nc1nccs1	103229	ZYFZMZOKRIQYMJ-UHFFFAOYSA-N	238.356	3.442	0	50	BGAA	
Cc1ccc([C@@H](CCN)c2ccco2)cc1	314673	PNKALXSRPWFOJZ-CYBMUJFWSA-N	215.296	3.069	0	50	BGAA	
CNC(=O)N(C1CCCCC1)C1CCCCC1	401572	HPROJXIYPFCVAJ-UHFFFAOYSA-N	238.375	3.293	0	50	BGAA	
COC(=O)CCNc1c(C)ccc2ccccc12	410163	BLLBUMZVUPBHER-UHFFFAOYSA-N	243.306	3.123	0	50	BGAA	
CC1=CC(C)(C)N(C)C(=S)N1c1ccccc1	432409	IMSIJJNKTMBJQP-UHFFFAOYSA-N	246.379	3.406	0	50	BGAA	
Brc1cscc1Br	1653761	VGKLVWTVCUDISO-UHFFFAOYSA-N	241.935	3.273	0	50	BGAA	in-vitro
CC(C)=CCC[C@H](C)CCN1CCC[C@H](O)C1	3680934	DUVCPZKQVRGBMO-GJZGRUSLSA-N	239.403	3.216	0	50	BGAA	
Cc1cc(C(=O)CCCC(=O)O)ccc1Cl	4253071	RTMFPIZZDYOKFI-UHFFFAOYSA-N	240.686	3.086	0	50	BGAA	
Cc1cccc([C@@H](O)c2cc(F)cc(F)c2)c1	4255204	WUWLUIFUVAJVMB-CQSZACIVSA-N	234.245	3.355	0	50	BGAA	
CC(C)N1C[C@H](C)[C@@](O)(c2ccccc2)C[C@@H]1C	4359584	SIPPYVOQXDDGOR-OFQRWUPVSA-N	247.382	3.013	0	50	BGAA	
Cc1ccc(CNCc2cccs2)s1	4897316	LFAPNUJMRRIHKY-UHFFFAOYSA-N	223.366	3.408	0	50	BGAA	
COc1ccc(CN[C@H]2CCC[C@@H](C)C2)cc1	4989524	NFMRIHJKMQOQOC-OCCSQVGLSA-N	233.355	3.364	0	50	BGAA	
O=Cc1cc(Cl)cc(Cc2ccccc2)c1O	5900627	YSZZVZQBDRNTFM-UHFFFAOYSA-N	246.693	3.449	0	50	BGAA	
CCC[C@H](C)NC(=O)c1ccc(OC(C)C)cc1	6743248	ARCKAPAXFRRXJD-LBPRGKRZSA-N	249.354	3.392	0	50	BGAA	
CCC1CCC(NC(=O)N[C@H](C)CC)CC1	13746339	WVCKRUSLNUFXIX-VOMCLLRMSA-N	226.364	3.053	0	50	BGAA	
CCCCC/C=C/C=C/C(=O)NCC(C)C	13838505	MAGQQZHFHJDIRE-BNFZFUHLSA-N	223.360	3.451	0	50	BGAA	biogenic,in-vivo
Cc1cc(S)c(F)cc1Br	36532972	JRARVLFRFWIHRT-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
ClC1=C(Cl)C(Cl)(Cl)[C@H]2C=C[C@H]1O2	101044519	SPCSYZOTCUGEDH-QWWZWVQMSA-N	245.920	3.187	0	50	BGAA	
C[C@H](CC(=O)N1CCCCO1)C1CCCCC1	170604276	BQQKLTVEWPHRIQ-GFCCVEGCSA-N	239.359	3.147	0	50	BGAA	
CNc1ccc(F)cc1C(=O)Nc1ccccc1	213029392	RLZIRFMZCFLDNU-UHFFFAOYSA-N	244.269	3.120	0	50	BGAA	
COc1cc(Cl)cc([C@@H]2CCCCN2)c1	216191668	AJKXUQNRRZGJRE-LBPRGKRZSA-N	225.719	3.163	0	50	BGAA	
CSc1ccc(-c2ccnc3ccnn23)cc1	253400476	DXYAJWIKEWJFIB-UHFFFAOYSA-N	241.319	3.118	0	50	BGAA	
CC1(C)CC[C@H](N2CCC[C@@H](c3ncc[nH]3)C2)C1	336328042	PXEPGANQAXUEJB-OLZOCXBDSA-N	247.386	3.168	0	50	BGAA	
O=C(O)/C=C/c1ccc(-c2ccccc2)cc1	153711	DMJDEZUEYXVYNO-DHZHZOJOSA-N	224.259	3.451	0	50	BGAA	in-vitro
CCc1cc(C(=O)N2CCCC[C@@H]2C)cs1	1054338	AECCQRJPSKWXKP-JTQLQIEISA-N	237.368	3.325	0	50	BGAA	
FC(F)(F)c1cccc(NC2=NCCS2)c1	1735403	HADNXZREAXAQJA-UHFFFAOYSA-N	246.257	3.220	0	50	BGAA	
CCn1c(C)c(C=O)c2cc(C)ccc21	4922118	IHCPXEGJXBFTFP-UHFFFAOYSA-N	201.269	3.091	0	50	BGAA	
CCn1c(C)c(C=O)c2cccc(C)c21	8701720	BGLJUOPIIRDJGA-UHFFFAOYSA-N	201.269	3.091	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2n[nH]c(C(C)C)n2)c1	96131852	LJICRVNIBPSZRR-JTQLQIEISA-N	245.326	3.303	0	50	BGAA	
CCSc1cc(C)c(Br)cn1	126559702	RSUJVRJHYNVDFF-UHFFFAOYSA-N	232.146	3.265	0	50	BGAA	
COc1cc(Br)cc2ccncc12	214477378	ZCDSNWILBJFPSI-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
c1cc(-c2csc(C3CCOCC3)n2)ccn1	1615590413	OPWPXTFGUOXTFJ-UHFFFAOYSA-N	246.335	3.099	0	50	BGAA	
Cc1ncc(-c2cc3cccc(F)c3o2)cn1	1875340096	KWFGEWGMOROBLQ-UHFFFAOYSA-N	228.226	3.337	0	50	BGAA	
CC(C)(C)NC(=O)Nc1cccc(Cl)c1	207848	YNEOHINYTJZRNL-UHFFFAOYSA-N	226.707	3.260	0	50	BGAA	
O=C(Nc1ccccc1)Nc1cccc(F)c1	238449	FAEWHBHXLLTMRX-UHFFFAOYSA-N	230.242	3.470	0	50	BGAA	
O=C(O)CC(c1ccccc1)c1ccccc1	388649	BZQGAPWJKAYCHR-UHFFFAOYSA-N	226.275	3.293	0	50	BGAA	in-vitro
Cc1ccc(CC(=O)Nc2cccc(C)c2)cc1	578006	MNLOCPMZSOAKAH-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
CCNCCOc1ccc([C@H](C)CC)cc1	6702327	HUNPBFXFEADFAW-GFCCVEGCSA-N	221.344	3.188	0	50	BGAA	
S=c1[nH]ccn2nc(-c3ccccc3)cc12	21147523	OGMSDCBTNPFKEW-UHFFFAOYSA-N	227.292	3.059	0	50	BGAA	
CCOC(=O)C1(Oc2ccccc2)CCCCC1	33865976	ZLDNKWIUKMOMHW-UHFFFAOYSA-N	248.322	3.331	0	50	BGAA	
O=C1CCc2c(Cl)ccc(Cl)c21	34216863	CRYBQWFSLAUFPD-UHFFFAOYSA-N	201.052	3.122	0	50	BGAA	
CC(C)(C)OC(=O)c1ccc(Cl)cc1	38298251	UKKZHZNQIFTSJN-UHFFFAOYSA-N	212.676	3.295	0	50	BGAA	
CC(C)(C)COC(=O)Nc1ccccc1	71774230	FUZUSVOXXFPQGB-UHFFFAOYSA-N	207.273	3.281	0	50	BGAA	
Cc1ccccc1OCCN(C)CCC(C)C	96026702	XWSBMLOYGROKIZ-UHFFFAOYSA-N	235.371	3.352	0	50	BGAA	
COC(=O)c1cc(-c2ccccc2F)ccc1F	97757069	BESIHQLBQZHBFP-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
CC[C@@H](Nc1nc(C)cc(C)n1)c1ccncc1	301394659	KQFZIMPBXLKYOF-CYBMUJFWSA-N	242.326	3.052	0	50	BGAA	
O=[S@](CC1CC(F)(F)C1)C1CCCCC1	334836363	MZUMCTLQEAAOQB-OAHLLOKOSA-N	236.327	3.113	0	50	BGAA	
Cc1ccc(NC(=O)/C=C/c2ccsc2)cn1	492218500	SJNFDSVUPGWKFD-HWKANZROSA-N	244.319	3.103	0	50	BGAA	
O=Cc1cc(F)ccc1-c1ccccc1C(=O)O	725272616	SAJRYIVIEWARDM-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
Cc1cscc1-c1nc(C)c(C)c(C)n1	2100540520	KOXDJXWJQRHYLA-UHFFFAOYSA-N	218.325	3.439	0	50	BGAA	
COc1ccc(C(=O)N(C)C2CCCCC2)cc1	300561	LVFFRIXLPZAGMH-UHFFFAOYSA-N	247.338	3.100	0	50	BGAA	
CC(C)=CCC/C(C)=C/[C@H]1OC[C@H](C)O1	1228645	DWZRENGNFQNWQZ-DPGNGVPNSA-N	210.317	3.441	0	50	BGAA	endogenous,in-man
FC(F)(F)c1cnc(-c2cn[nH]c2)c(Cl)c1	1384969	NMPKIAAHGUXTDX-UHFFFAOYSA-N	247.607	3.144	0	50	BGAA	
Cc1cccc(C(=O)C(F)(F)F)c1C	2378559	VBAUJXBPWBROGJ-UHFFFAOYSA-N	202.175	3.048	0	50	BGAA	
c1ccc([C@@]23CCCC[C@H]2CCCN3)cc1	6116354	QEXADSRMRUUCQJ-GJZGRUSLSA-N	215.340	3.456	0	50	BGAA	
CSc1ccccc1C(=O)N1CCC[C@H](C)C1	10541085	UFJXUKBGMORUAZ-NSHDSACASA-N	249.379	3.281	0	50	BGAA	
CCOC(=O)c1cc2c(s1)CC[C@H](C)C2	12410861	MSFIVMGEJSVGSW-QMMMGPOBSA-N	224.325	3.050	0	50	BGAA	
COc1cccc(NC(=O)OC(C)(C)C)c1C	22010773	RZZFTOJEHIRCRK-UHFFFAOYSA-N	237.299	3.351	0	50	BGAA	
FC(F)(F)Oc1ccc2ncccc2c1	34581003	PYRLDVVMVBKTTQ-UHFFFAOYSA-N	213.158	3.133	0	50	BGAA	in-vitro
CCCOCc1cc(Br)cs1	43687638	LOBYZPFKBPPWAO-UHFFFAOYSA-N	235.146	3.437	0	50	BGAA	
O=C1CC[C@@H](c2ccccn2)c2ccccc21	96027286	BGLQLDWUMGHMAX-GFCCVEGCSA-N	223.275	3.190	0	50	BGAA	
C=CC(=O)Nc1ccc2cc(N(C)C)ccc2c1	1356522320	HXIHYIUUVOTAEC-UHFFFAOYSA-N	240.306	3.030	0	50	BGAA	
Cc1ccc2cc(C=O)c(Cl)nc2c1	265625	YBNADSVXXWMWKH-UHFFFAOYSA-N	205.644	3.009	0	50	BGAA	in-vitro
C[C@H](NC(=O)C1CCC1)c1ccc(Cl)cc1	306100	DCQBZNRMJYVJON-VIFPVBQESA-N	237.730	3.317	0	50	BGAA	
COc1ccc2c(C)c(Cl)c(=O)oc2c1C	452572	MRMQZNVOIMXJKW-UHFFFAOYSA-N	238.670	3.072	0	50	BGAA	
C[C@@H](C(=O)O)c1ccc2c(c1)Cc1ccccc1-2	1566379	LRXFKKPEBXIPMW-SNVBAGLBSA-N	238.286	3.446	0	50	BGAA	in-man
Cc1cccc([C@H](O)c2ccc(F)c(F)c2)c1	4255190	QZYLHQCVGQXMMC-AWEZNQCLSA-N	234.245	3.355	0	50	BGAA	
Cc1cccc2c(Br)ccnc12	32099834	IDGLXERCZWXTCV-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CC(C)n1cc(CCC(=O)O)c2ccccc21	49453172	VOWPGMUMTCROQI-UHFFFAOYSA-N	231.295	3.239	0	50	BGAA	biogenic
Fc1ccc(F)c(Br)c1S	71792153	ZSSUCGXCMTUSIA-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
O=C(O)[C@H](c1ccccc1)c1ccc(F)cc1	2382478	PKCHPRKLZKXQHF-CYBMUJFWSA-N	230.238	3.042	0	50	BGAA	in-vitro
CCC(=O)c1ccc(F)cc1C(F)(F)F	4334564	QKLZDUZBHFEOPR-UHFFFAOYSA-N	220.165	3.437	0	50	BGAA	
CCCCCSc1nnc(S)s1	4344129	DIUQFUZKOVCRSK-UHFFFAOYSA-N	220.388	3.109	0	50	BGAA	
Cc1cc(Oc2ccccc2)nc(=S)[nH]1	5958130	PXLMLBIMLWDCKH-UHFFFAOYSA-N	218.281	3.240	0	50	BGAA	
CCc1ccc([C@@H](C)NC(=O)C2CCC2)cc1	6741300	HCTHQWFXUGFBQY-LLVKDONJSA-N	231.339	3.226	0	50	BGAA	
CCCNC(=O)CCSc1ccc(C)cc1	6879553	GWZBBWVATMREIM-UHFFFAOYSA-N	237.368	3.003	0	50	BGAA	
CCCNC(=O)N[C@H](C)c1ccc(Cl)s1	13745086	HQMZJQSULJGOFD-SSDOTTSWSA-N	246.763	3.172	0	50	BGAA	
Cc1cc(Br)c2ccccc2n1	14982285	BGIRQGWGBRSRGK-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CC(C)C(=O)Nc1ccccc1-c1cccnc1	32590211	CTCUUMYRYVGRRP-UHFFFAOYSA-N	240.306	3.343	0	50	BGAA	
CCSc1ccccc1NC(=O)CSC	55703591	CMGAYWDJZPZYJD-UHFFFAOYSA-N	241.381	3.100	0	50	BGAA	
Cc1ccccc1C(=O)C(C)(C)N1CCCC1	91532471	VFMOCKFDCQGVIR-UHFFFAOYSA-N	231.339	3.052	0	50	BGAA	
CC(C)[C@H](C)CC(=O)N1CCC[C@H]2CCC[C@@H]21	174255639	LUIRWYAZNQPLNQ-MCIONIFRSA-N	237.387	3.460	0	50	BGAA	
Cn1ccnc1[C@@H](NC1CCCCCC1)C1CC1	353882910	SAWFSGZNTFKNAZ-AWEZNQCLSA-N	247.386	3.184	0	50	BGAA	
CC(C)=CCC/C(C)=C/C1OCCCO1	296186	XTTKQVPSQXGGDW-ZRDIBKRKSA-N	210.317	3.442	0	50	BGAA	
CCCN(CCC)c1cccc(NC(C)=O)c1	401844	XGXZHDLFQSBZQU-UHFFFAOYSA-N	234.343	3.271	0	50	BGAA	
O=C(O)c1ccccc1Nc1ccc(F)cc1	403440	YQDLBCADRCGKQK-UHFFFAOYSA-N	231.226	3.268	0	50	BGAA	in-vitro
CC(C)C(=O)Nc1ccc(N2CCCCC2)cc1	447355	DYIRLVMOTKTVPF-UHFFFAOYSA-N	246.354	3.271	0	50	BGAA	
CCNCc1ccc(Cl)cc1Cl	2168856	MAJQQCVMLVPMIW-UHFFFAOYSA-N	204.100	3.103	0	50	BGAA	
CCCc1sc(C(=O)O)cc1Br	2557840	WMBFFUJISNVJLE-UHFFFAOYSA-N	249.129	3.161	0	50	BGAA	
O=C(O)c1sccc1-c1ccccc1	3399123	KWWGBNRBZMJKPA-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	in-vitro
Cc1cccc([C@@H](O)c2ccc(N(C)C)cc2)c1	4244756	WKUUHNMAXXALPB-INIZCTEOSA-N	241.334	3.143	0	50	BGAA	
CC[n+]1ccccc1/C=C/c1ccc(OC)cc1	4737169	NTHQDLBETLUNMW-JXMROGBWSA-N	240.326	3.173	0	50	BGAA	
c1ccc(Nc2nccc(-c3cccnc3)n2)cc1	29559018	IJAJKPWVXDRQIB-UHFFFAOYSA-N	248.289	3.282	0	50	BGAA	
CC(C)(C)c1ccc(Br)c(O)c1	39208717	KSYHPGHAMBDJLG-UHFFFAOYSA-N	229.117	3.452	0	50	BGAA	in-vitro
Cc1ccc2cncc(Br)c2c1	44832013	UQKURXKBUHYNAT-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
O=C(O)c1cccc(-c2ccc(F)cc2)c1F	47204150	LDISIDUNBSMZHP-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
COc1cncc(-c2cc(F)ccc2F)c1	675070423	YBRPUDOHTZJQRQ-UHFFFAOYSA-N	221.206	3.035	0	50	BGAA	
C=CC(=O)Nc1ccc2cccc(Cl)c2n1	1776000231	QLGOFUVRQHNWAP-UHFFFAOYSA-N	232.670	3.013	0	50	BGAA	
C[C@H](n1ccnc1C1CCCCC1)C1(O)CC1	1875250897	PGFXGYOSTRODJA-NSHDSACASA-N	234.343	3.017	0	50	BGAA	
COc1ccccc1-c1nnc(-c2ccco2)o1	64817	HAWBKDLFOZDXNV-UHFFFAOYSA-N	242.234	3.005	0	50	BGAA	
COc1ccc(Cn2ccnc2)cc1C(C)(C)C	155467	DUKDDGSDWJIMFJ-UHFFFAOYSA-N	244.338	3.238	0	50	BGAA	
C=Cn1c(C(=O)O)ccc1-c1ccc(C)cc1	259218	RNHLYONFHRHIPV-UHFFFAOYSA-N	227.263	3.262	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1ccc(Cl)cc1	284694	NBPHHKVRZUSDBJ-QMMMGPOBSA-N	226.707	3.260	0	50	BGAA	
CC(C)(C)NC(=O)CCSc1ccccc1	443725	LKXFQZPMDLZPJK-UHFFFAOYSA-N	237.368	3.084	0	50	BGAA	
CC[C@H](Cc1ccccc1)NC(=O)c1ccco1	2810100	DYBAQNXFZFNQGN-CYBMUJFWSA-N	243.306	3.031	0	50	BGAA	
O=C(Nc1cccc(F)c1)NC1CCCCC1	4010779	XBECBKITPISKNU-UHFFFAOYSA-N	236.290	3.280	0	50	BGAA	
Cc1ccc(-c2ccc(C(=O)O)c(C)n2)cc1	4568141	IGFOZSKLXZPYAD-UHFFFAOYSA-N	227.263	3.064	0	50	BGAA	in-vitro
COc1ccccc1NC(=O)c1csc(C)c1	13326063	SETKLJSVNIFZOJ-UHFFFAOYSA-N	247.319	3.317	0	50	BGAA	
CCNc1cc(Cl)nc(-c2ccccc2)n1	14007394	NMSYTXBYOPLTHK-UHFFFAOYSA-N	233.702	3.229	0	50	BGAA	
C[C@@H](CNC(=O)C1CCCC1)c1ccccc1	36395918	AZPJTEIGKPKOCW-LBPRGKRZSA-N	231.339	3.097	0	50	BGAA	
Brc1ncc(-c2ccccc2)o1	40448947	KJUQKWSZCIOQKY-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
CCCc1ccc([C@@H](O)C(F)(F)F)cc1	40451671	WWGJLVCWWBRCHU-SNVBAGLBSA-N	218.218	3.235	0	50	BGAA	
C=CC(=O)NC[C@@H]1CCCC[C@H]1C(C)(C)C	1336675340	DRCNSWZQDQVGDD-NWDGAFQWSA-N	223.360	3.141	0	50	BGAA	
Nc1ccc(Cl)cc1C(=O)c1ccccc1F	56879	GTGMXPIQRQSORU-UHFFFAOYSA-N	249.672	3.292	0	50	BGAA	biogenic,in-vitro
O=C(O)C[C@H](c1ccc(F)cc1)c1ccco1	182807	BUDQOVLQTWNZHM-LLVKDONJSA-N	234.226	3.025	0	50	BGAA	
COc1ccccc1NC(=O)Nc1ccccc1	184787	LSHOLDAVJGTKOV-UHFFFAOYSA-N	242.278	3.339	0	50	BGAA	
O=C(c1ccccc1)N1CCC[C@@H]2CCCC[C@H]21	190504	QUQKAXPIRYDMHC-DZGCQCFKSA-N	243.350	3.481	0	50	BGAA	
CC(=O)c1cnc(Nc2ccccc2)s1	1395915	DPRNJSXKUDMEOF-UHFFFAOYSA-N	218.281	3.089	0	50	BGAA	
CCCCc1c(C)c2cc(C)ccc2[nH]c1=O	8580275	UOWZVOLMDUJRJP-UHFFFAOYSA-N	229.323	3.488	0	50	BGAA	aggregator
C[C@@]12CC3CC(C(=O)NC4CC4)(C1)C[C@](C)(C3)C2	16551829	PZUQMVJLCZOPRN-ZDELEMRZSA-N	247.382	3.262	0	50	BGAA	
Brc1ccc2oc(C3CC3)nc2c1	19088905	JMMVKTYIPNMKOX-UHFFFAOYSA-N	238.084	3.468	0	50	BGAA	
CC1=C[C@@H]2CC(C)(C)C[C@@]23CC[C@@H](O)[C@@H]13	71786067	KQJDKKKJUIJHGG-BYNQJWBRSA-N	206.329	3.140	0	50	BGAA	
C[C@@H]1CCC[C@@H]1Nc1nccc(C(F)(F)F)n1	112828217	IESBHNSGZUNGLY-SFYZADRCSA-N	245.248	3.096	0	50	BGAA	
FC(F)(F)Oc1cccc(Br)c1	56741	WVUDHWBCPSXAFN-UHFFFAOYSA-N	241.006	3.348	0	50	BGAA	in-vitro
O=C(/C=C/c1ccco1)Nc1ccc(F)cc1	70493	ZRPVRTIPVIEWRZ-BQYQJAHWSA-N	231.226	3.071	0	50	BGAA	
S=C(NC1CCCCC1)N1CCCCCC1	360963	UVJQGZSEZNJMQJ-UHFFFAOYSA-N	240.416	3.070	0	50	BGAA	
CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1	435896	ZPUSFOHQVMOPOT-AWEZNQCLSA-N	247.725	3.463	0	50	BGAA	
CCCc1ccc(C(=O)CCCC(=O)O)cc1	2579942	URHNYGDNUORSCI-UHFFFAOYSA-N	234.295	3.077	0	50	BGAA	
CC(C)(C)NC(=O)Nc1ccccc1Cl	4856467	TTWBCQZWXYZBBB-UHFFFAOYSA-N	226.707	3.260	0	50	BGAA	
Cc1cc(C(=O)N2CCCCCCC2)c(C)o1	6726803	FHTVEJJSXXHFKD-UHFFFAOYSA-N	235.327	3.303	0	50	BGAA	
Brc1ccccc1N1CCCC1	39428267	RSEPYQZONPBLLQ-UHFFFAOYSA-N	226.117	3.049	0	50	BGAA	
Cc1cc(-c2cc3ccccc3o2)cnc1N	65395063	ATCZOXXNRLVMKK-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	
COC(=O)c1ccc(C)c(-c2ccccc2)c1	114653425	XRFYCVWZLHWSHM-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	
CC(C)Oc1ccc(Cl)c([N+](=O)[O-])c1	142086842	NTCXCJVQUJYLOA-UHFFFAOYSA-N	215.636	3.035	0	50	BGAA	
Cc1cccc(/C=C/C(=O)N2CC[C@@H](C)[C@H]2C)c1	178158534	ZBBCQYVJFXIIDW-GODNBWANSA-N	243.350	3.265	0	50	BGAA	
Fc1ccccc1[C@@H]1CNCc2ccccc2O1	299784431	GTPSTQJWSMKFEG-HNNXBMFYSA-N	243.281	3.049	0	50	BGAA	
C=CC(=O)NC[C@H]1CCCC[C@@H]1C(C)(C)C	1336675339	DRCNSWZQDQVGDD-NEPJUHHUSA-N	223.360	3.141	0	50	BGAA	
F[C@@H](c1nc2ccccc2[nH]1)C(F)(F)F	49144	QOXFGGCVUDFHNX-ZETCQYMHSA-N	218.153	3.136	0	50	BGAA	
COc1c(Br)cc(C)c2c1CCC2	157698	IKBZAUYPBWFMDI-UHFFFAOYSA-N	241.128	3.255	0	50	BGAA	
CC(C)Oc1ccc(NC(=O)c2ccco2)cc1	192335	AYTVSUXBEFSOSU-UHFFFAOYSA-N	245.278	3.319	0	50	BGAA	
O=C(Nc1cccnc1)c1cc2ccccc2o1	342023	CINDHMFMARJPJQ-UHFFFAOYSA-N	238.246	3.080	0	50	BGAA	
Cc1ccc(SCCC(=O)NC(C)C)cc1	382524	SMXRQSOIKWFTIQ-UHFFFAOYSA-N	237.368	3.002	0	50	BGAA	
Clc1cc(Cl)cc(NC[C@@H]2CCCN2)c1	12404761	DNGUMKMIOVOWJI-JTQLQIEISA-N	245.153	3.157	0	50	BGAA	in-vitro
C[C@@H](NC(=O)c1ccsc1)c1ccc(F)cc1	16649746	ITFOPXABEVMVSK-SECBINFHSA-N	249.310	3.378	0	50	BGAA	
CCOC(=O)CCCC[C@H]1CCCCCC1=O	45027617	ORJYNDPMQQNZPF-GFCCVEGCSA-N	240.343	3.259	0	50	BGAA	
c1ccc(OCC2(CNC3CCCC3)CC2)cc1	65396489	KPTBWNFDTACBFI-UHFFFAOYSA-N	245.366	3.378	0	50	BGAA	
Fc1cc(C2CCNCC2)ccc1C(F)(F)F	143589003	GVAMKXJAXZYEAW-UHFFFAOYSA-N	247.235	3.312	0	50	BGAA	
Fc1cc(C(F)(F)F)ccc1OC(F)F	263623209	FQSIGYOCTYRTKV-UHFFFAOYSA-N	230.107	3.446	0	50	BGAA	
COc1cc(F)cc(-c2ccncc2F)c1	725242619	MXWPZMKEBCGZNH-UHFFFAOYSA-N	221.206	3.035	0	50	BGAA	
c1ccc2c(CCc3ccncc3)c[nH]c2c1	94256	UUEYCHLWAOBOHG-UHFFFAOYSA-N	222.291	3.348	0	50	BGAA	biogenic,in-vivo
Cc1ccc2oc(-c3ccc(N)cc3O)nc2c1	123090	VZNHSHBMAPCZGQ-UHFFFAOYSA-N	240.262	3.091	0	50	BGAA	
Cc1ccc(Nc2ccc(C(=O)O)cc2N)cc1	437901	QPOSHSVKLMHDCD-UHFFFAOYSA-N	242.278	3.019	0	50	BGAA	
CCCC[C@@H](CC)CNCc1ccccn1	2557985	NXQKSYDDMDZBNG-CYBMUJFWSA-N	220.360	3.388	0	50	BGAA	
CCCCn1cc(C=O)c2ccccc21	4245453	DOMRUOQXWPPSQH-UHFFFAOYSA-N	201.269	3.254	0	50	BGAA	
Cc1ccc(Cl)c(OC[C@@H]2CCCNC2)c1	12137849	AUVWKCRPRNFWPO-LLVKDONJSA-N	239.746	3.027	0	50	BGAA	in-vitro
O=C(SCN1CCCCC1)c1ccccc1	25630019	KQZHFQDIBXVQIP-UHFFFAOYSA-N	235.352	3.003	0	50	BGAA	
Fc1cnc2cc(Br)ccc2c1	95803961	ZTYRJYCUESJBML-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
CCOc1c(Cl)cc(Cl)cc1OC	261494293	UKYLOYIIKXMKNN-UHFFFAOYSA-N	221.083	3.401	0	50	BGAA	
Cc1nc(C)c(-c2ccc(F)cc2CO)s1	888095864	ZKOUPYLJWLEMJT-UHFFFAOYSA-N	237.299	3.058	0	50	BGAA	
Cc1cc(C)nc(NC(=O)c2ccccc2C)c1	473361	UNSKLZMERXWXKI-UHFFFAOYSA-N	240.306	3.259	0	50	BGAA	
Cc1c(C=O)c2ccccc2n1CC(C)C	615735	FZWFLLRAZZIMTO-UHFFFAOYSA-N	215.296	3.418	0	50	BGAA	in-vitro
Cc1cc(F)ccc1NC(=O)c1cccs1	1053869	MQXCSEAWMLOVST-UHFFFAOYSA-N	235.283	3.448	0	50	BGAA	
Cc1ccnc(Nc2nc3ccccc3s2)n1	1312115	YEKJCCQGZBAANY-UHFFFAOYSA-N	242.307	3.138	0	50	BGAA	
CC(=O)c1ccc(Cc2ccccc2)cc1	1562037	PPYJQGBEZQOXHC-UHFFFAOYSA-N	210.276	3.480	0	50	BGAA	biogenic,in-vitro
CCCC[C@]1(C(F)(F)C(F)(F)F)CCCN1	4234956	WATUAYSAIHYCTR-MRVPVSSYSA-N	245.235	3.496	0	50	BGAA	
Brc1ccsc1Br	4262021	ATRJNSFQBYKFSM-UHFFFAOYSA-N	241.935	3.273	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1ccc(F)cc1	7610489	OJVWNENFSPSLRB-UHFFFAOYSA-N	211.236	3.173	0	50	BGAA	in-vitro
C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(F)cc1	12341449	KIWHZRFCFCZUKI-PHIMTYICSA-N	235.302	3.229	0	50	BGAA	
C[C@@H](O)C1c2ccccc2Cc2ccccc21	25695392	GIYVOWQRYRDTOS-LLVKDONJSA-N	224.303	3.104	0	50	BGAA	
FC(F)(F)c1ccc2c(Cl)ncnc2c1	38541202	IJNDITTYYNJLPT-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	in-vitro
CCC(C)(C)c1nc(CCc2ccccc2)n[nH]1	65385718	PDPVAMIQBLMKMD-UHFFFAOYSA-N	243.354	3.278	0	50	BGAA	
O[C@@H]1CCCCc2c(Br)cccc21	147029403	ULWCKWUKHBHFEQ-LLVKDONJSA-N	241.128	3.209	0	50	BGAA	in-vitro
CN(Cc1cscn1)Cc1ccc(Cl)o1	352795929	VKIXPWKDMGSGBM-UHFFFAOYSA-N	242.731	3.022	0	50	BGAA	
Cc1occ(-c2ccc(F)cc2F)c1C(=O)O	725246761	VYXWVEARFANSNH-UHFFFAOYSA-N	238.189	3.231	0	50	BGAA	
COc1ccc(OC)c(-c2ccnn2C(C)C)c1	952989237	REPRVVSEOCTOLG-UHFFFAOYSA-N	246.310	3.148	0	50	BGAA	
Cc1cccc([C@@H](C)N[C@@H](C)c2cc[nH]n2)c1C	2325742647	JDGHCEZUWLMATD-OLZOCXBDSA-N	243.354	3.438	0	50	BGAA	
CN(C)c1noc(C2CC(C)(C(C)(C)C)C2)n1	2325873617	NGUZDRUGDSOGRJ-UHFFFAOYSA-N	237.347	3.065	0	50	BGAA	
O=C(CCc1ccccc1)Nc1ccccc1F	442993	SDJLPHLHIMFLJY-UHFFFAOYSA-N	243.281	3.397	0	50	BGAA	
Cc1ccc(C(=O)c2cccs2)cc1	1037185	IKWYWMSVSMGHEU-UHFFFAOYSA-N	202.278	3.288	0	50	BGAA	
CC1(C)CCc2c1cccc2C1(C)OCCO1	4530929	KCPBHIRCLFFRFE-UHFFFAOYSA-N	232.323	3.130	0	50	BGAA	
O=C(O)c1ccc(OCc2ccc(F)cc2)cc1	5996929	RXXGPRFAVTVMKY-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	
O=C(O)c1cccc(C(F)(F)C(F)(F)F)c1	26255333	RSZIYFMYMSOUTH-UHFFFAOYSA-N	240.127	3.039	0	50	BGAA	in-vitro
COC(=O)/C=C/c1cccc(Cl)c1Cl	39076662	LNCHVNAJMWMKCG-AATRIKPKSA-N	231.078	3.180	0	50	BGAA	in-vitro
[C-]#[N+]c1ccc(C(=O)c2ccccc2)cc1	95698053	ZCMYAXFQPGJROP-UHFFFAOYSA-N	207.232	3.468	0	50	BGAA	
CCSCCSCCc1ccccn1	140676791	KQSZNBAGKKYCHS-UHFFFAOYSA-N	227.398	3.110	0	50	BGAA	
CC(C)C(=O)N1CC(C)(C)[C@H]1c1cccs1	288217369	DQFAHYASZLGCTO-LLVKDONJSA-N	237.368	3.314	0	50	BGAA	
CCC[C@@H](C)NC(=O)Nc1ccc2c(c1)COC2	299768105	IWCQEKZWAJCZKK-SNVBAGLBSA-N	248.326	3.027	0	50	BGAA	
C1CC2(C1)C[C@@H](N[C@@H]1CCC13CCC3)CCO2	334418662	PJSLEZLUGHZKJJ-QWHCGFSZSA-N	235.371	3.010	0	50	BGAA	
O=C(O)c1ccc(-c2cccs2)s1	158796	PTNWHEHDBNNKEO-UHFFFAOYSA-N	210.279	3.175	0	50	BGAA	in-vitro
O=C(Cc1ccccc1Cl)c1ccncc1	172198	FDARMWFRSMPFOA-UHFFFAOYSA-N	231.682	3.160	0	50	BGAA	
Cc1cccc(NC(=O)NCc2ccccc2)c1	395265	WPMJGFMRVLNWHX-UHFFFAOYSA-N	240.306	3.317	0	50	BGAA	
S=C(c1c[nH]c2ccccc12)N1CCCCC1	555700	CENUPWPJGBFRJM-UHFFFAOYSA-N	244.363	3.329	0	50	BGAA	
BrC12CC3CC(CC(C3)C1)C2	1042002	VQHPRVYDKRESCL-UHFFFAOYSA-N	215.134	3.350	0	50	BGAA	in-vitro
Cc1ccc2nc(C3CC3)cc(C(=O)O)c2c1	1459148	ULQTVSKLKZCBOV-UHFFFAOYSA-N	227.263	3.119	0	50	BGAA	in-vitro
COC(=O)c1cc2c(ccc3ccccc32)[nH]1	4235036	UGJMOZWQIMQPKM-UHFFFAOYSA-N	225.247	3.108	0	50	BGAA	in-vitro
COc1ccc2ccccc2c1C(C)=O	5884253	WFBBDKXOGOJOKY-UHFFFAOYSA-N	200.237	3.051	0	50	BGAA	in-vitro
CCCNC(=O)Nc1ccc2ccccc2c1	6725320	CIUSBWFBIHLXNT-UHFFFAOYSA-N	228.295	3.371	0	50	BGAA	
Cc1ccc(-c2ncncc2Br)cc1	15021348	ZVXXEMMIVLDQAH-UHFFFAOYSA-N	249.111	3.215	0	50	BGAA	in-vitro
C[C@H](NC1CCCC1)c1nc2ccccc2n1C	19883601	QYTGVJYLYNIHIF-NSHDSACASA-N	243.354	3.167	0	50	BGAA	
CCCCc1ccc(C(F)(F)C(=O)O)cc1	31829522	OSENIUPXZDFQIW-UHFFFAOYSA-N	228.238	3.206	0	50	BGAA	
Cc1cc(C)c(F)c(Br)c1	55161575	HGVBXEOMBASYFG-UHFFFAOYSA-N	203.054	3.205	0	50	BGAA	in-vitro
COc1cccc(Br)c1Cl	65337268	XOZKQZFQBFNXPW-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	in-vitro
Cc1cnccc1CN(C)Cc1ccccc1	65372209	PHIZXTAEGPGEFK-UHFFFAOYSA-N	226.323	3.022	0	50	BGAA	
C[C@@H](Nc1ccc2cc[nH]c2n1)c1ccco1	72157238	HRZRUQBAVMJXJT-SECBINFHSA-N	227.267	3.329	0	50	BGAA	
CCOC(=O)/C=C/c1ccc(F)c(Cl)c1	85343010	JEXAHVAICWOJHJ-GQCTYLIASA-N	228.650	3.055	0	50	BGAA	
Ic1cccc2ccoc12	148789197	SLCDDMFZTGMZRD-UHFFFAOYSA-N	244.031	3.037	0	50	BGAA	
ClC1(Cl)[C@H]2[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C[C@H]21	254479939	BIINRMZJEXKKCL-HQBQHRAMSA-N	215.123	3.248	0	50	BGAA	
CC(C)=CCC/C(C)=C/CNC(=O)c1ccc[nH]1	299803018	ULPGAGNCCJJILU-UKTHLTGXSA-N	246.354	3.437	0	50	BGAA	
COc1cnccc1-c1cccc([C@@H](C)OC)c1	1242031338	CNUMOLMQUVKFOD-LLVKDONJSA-N	243.306	3.465	0	50	BGAA	
Nc1cccc(-c2cnc3cc(F)ccc3c2)n1	1857712180	MLFDCACAGBFSKN-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
Nc1cc([C@H]2CC2(F)F)cc(C(F)(F)F)c1	1857778263	SPWAMUOHPNQONS-MRVPVSSYSA-N	237.171	3.410	0	50	BGAA	
O=C(Cc1ccc(F)cc1F)Nc1ccccc1	135970	BNVAIGYEKHGQOR-UHFFFAOYSA-N	247.244	3.146	0	50	BGAA	
c1ccc(SCCc2ccccn2)cc1	270985	VWKCUVQFZMDHBH-UHFFFAOYSA-N	215.321	3.416	0	50	BGAA	
CC(C)Oc1ncnc2sc3c(c12)CCCC3	349890	PBGJMNUYXJQGRT-UHFFFAOYSA-N	248.351	3.357	0	50	BGAA	
CCCCCCNP(=O)(OCC)OCC	1680050	BWMOLFZIUSUNAV-UHFFFAOYSA-N	237.280	3.337	0	50	BGAA	
Brc1cccc(-c2ccno2)c1	2578074	RVTONCSWDXJDIN-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
C[C@@H](SC12CC3CC(CC(C3)C1)C2)C(=O)O	3900381	JTKRUOOICRMFSA-SEOMOHDOSA-N	240.368	3.162	0	50	BGAA	
Cc1cc(C)c(C(=O)NCc2ccco2)c(C)c1	6731719	SFQDLPOCYFZRAX-UHFFFAOYSA-N	243.306	3.135	0	50	BGAA	
O=c1cc(-c2ccccc2)[nH]nc1-c1ccccc1	8672859	BFLOXPSIFJBJLT-UHFFFAOYSA-N	248.285	3.104	0	50	BGAA	
CC(C)=CCC[C@@H](C)CCN1CCOCC1	12383407	GTJUGVNNIFPTRJ-CQSZACIVSA-N	225.376	3.091	0	50	BGAA	
CCOc1cc(Br)cc(F)c1F	39325849	UMGBWRBQWZTQMH-UHFFFAOYSA-N	237.043	3.126	0	50	BGAA	
COc1ccc2c(c1)N(C)C(C)(C)C[C@H]2C	139075597	HWSVGAWREUYIPQ-SNVBAGLBSA-N	219.328	3.417	0	50	BGAA	
CCCCOc1cc(C)c(Br)cn1	164063296	ZSHZIESUSUAKKH-UHFFFAOYSA-N	244.132	3.331	0	50	BGAA	
C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1c1ccccc1	173948738	OXPKEBIDXFYVAF-WFASDCNBSA-N	243.350	3.049	0	50	BGAA	
Cc1cc(C)c(OCCNC2CCC2)c(C)c1	199299143	CGEPLCHNSJEQNO-UHFFFAOYSA-N	233.355	3.133	0	50	BGAA	
OCc1cc(Cl)c(OC(F)F)c(Cl)c1	263624827	UNKKMOVSBUPOGZ-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
C[C@@H]1CCC(=O)C[C@H]1SC(C)(C)C	725362098	PUHZIAVIQFJJQE-PSASIEDQSA-N	200.347	3.276	0	50	BGAA	
Cc1ccc2nc(-c3ccc(N)cc3)oc2c1	154934	NBPVTEREHKBJFE-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)C(C)C)cc1Cl	302159	CFPKFWVMJOCXOL-UHFFFAOYSA-N	211.692	3.243	0	50	BGAA	
Cc1cccc(Cl)c1NC(=O)NC(C)C	396717	FYBKMRLAZAMUDC-UHFFFAOYSA-N	226.707	3.178	0	50	BGAA	
Fc1cc(F)c(F)c(Br)c1F	2004027	YHAFCGSUIAFUCX-UHFFFAOYSA-N	228.970	3.006	0	50	BGAA	biogenic,in-vitro
FC(F)(F)Oc1ccc([C@@H]2CCCN2)cc1	4299181	XCKVCAOSVNOPOM-JTQLQIEISA-N	231.217	3.010	0	50	BGAA	
Fc1ccc(-c2nc3ncccc3o2)cc1	4624172	RGYDWZUDJZVSSM-UHFFFAOYSA-N	214.199	3.029	0	50	BGAA	
Nc1ccc(-c2nc3ncccc3o2)c(Cl)c1	4749148	IFTHUVXOPGWZRC-UHFFFAOYSA-N	245.669	3.125	0	50	BGAA	
NCCc1c(-c2cccs2)[nH]c2ccccc12	5948679	HTHIIIQAAPDMOM-UHFFFAOYSA-N	242.347	3.398	0	50	BGAA	
CC(=O)c1sc(-c2cccc(F)c2)nc1C	7845988	GFPMIRIGJCXVQN-UHFFFAOYSA-N	235.283	3.460	0	50	BGAA	
CN1CCC[C@@H](Cc2ccnc(Cl)c2)CC1	72344238	RJCUSLGPILMSIB-LLVKDONJSA-N	238.762	3.009	0	50	BGAA	
CCN(CC)C(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2	100328708	DUUPAEXOULDQBW-ILGZHXLLSA-N	249.398	3.461	0	50	BGAA	
COc1ccc(-c2cn3ccc(C)cc3n2)cc1	348914	MJFVSLMOLHCTOE-UHFFFAOYSA-N	238.290	3.318	0	50	BGAA	
Oc1ccc2occ([C@@H](O)c3ccccc3)c2c1	3182539	MPCPAXLITZXNSV-HNNXBMFYSA-N	240.258	3.220	0	50	BGAA	
CCc1nc(-c2ccccc2)nc(C)c1C	4020036	YOQNPWVGKDOQIM-UHFFFAOYSA-N	212.296	3.323	0	50	BGAA	
CCOc1ccc(-c2ccc(C=O)o2)cc1	5336555	WGDIFVYZWLGGJE-UHFFFAOYSA-N	216.236	3.158	0	50	BGAA	in-vitro
CCOC(=O)/C=C/c1ccc(C(C)C)cc1	5854424	XCRHYAQWBYDRGV-JXMROGBWSA-N	218.296	3.386	0	50	BGAA	in-vitro
Clc1cnc(Cl)c(Br)c1	8698155	CDBHWRZEXFQNBI-UHFFFAOYSA-N	226.888	3.151	0	50	BGAA	in-vitro
O=C(O)C1(c2cccc(C(F)(F)F)c2)CCC1	20429459	OEIXASDDYLPZFJ-UHFFFAOYSA-N	244.212	3.212	0	50	BGAA	
O=C(O)c1ccc2c(c1)oc1ccccc12	36636028	IPAZMLAVBPDMLK-UHFFFAOYSA-N	212.204	3.284	0	50	BGAA	
CCCOc1cc(C(F)(F)F)ccc1O	95092922	XCIOHSPUGCKWHA-UHFFFAOYSA-N	220.190	3.200	0	50	BGAA	
C[C@H](CCCC(C)(C)O)N[C@@H]1C[C@H]2CC[C@H]1C2	103407303	UMCMZLWKTDRKEK-ZOBORPQBSA-N	239.403	3.094	0	50	BGAA	
FC(F)c1nc2c(Br)cccc2[nH]1	238662697	LZZHDVMHXCUXFA-UHFFFAOYSA-N	247.042	3.263	0	50	BGAA	
CC1=CC[C@H]2CO[C@H](c3ccccc3O)[C@H]1C2	252694798	QDUXDTPWUQTGJM-OSAQELSMSA-N	230.307	3.436	0	50	BGAA	biogenic
C[C@@H](O)c1ccc(Cl)cc1N1CCCCC1	669369830	KYBWIACOEYMDGT-SNVBAGLBSA-N	239.746	3.384	0	50	BGAA	
CO[C@H](C)c1ccc(-c2ccc(N)nc2C)cc1	1506405136	VCDDCPKLLWBQAB-LLVKDONJSA-N	242.322	3.347	0	50	BGAA	
C=CC(=O)Nc1c(C)cccc1C(F)(F)F	1875368361	LKHYCXJKVKUDGI-UHFFFAOYSA-N	229.201	3.138	0	50	BGAA	
CN(Cc1ccccc1)C(=O)c1cccs1	29586	XCMHZQWNSHYHOD-UHFFFAOYSA-N	231.320	3.020	0	50	BGAA	
CC(C)(C)C(=O)NCc1ccc(Cl)cc1	407576	OTHXVGWZNGLBTB-UHFFFAOYSA-N	225.719	3.002	0	50	BGAA	
CNc1nnc(-c2ccccc2)c2ccccc12	823081	YTVCTISLEMPRJO-UHFFFAOYSA-N	235.290	3.339	0	50	BGAA	
CCCCN(C)C(=O)Nc1cccc(C)c1	2171019	BNDJXSVCECVGMF-UHFFFAOYSA-N	220.316	3.259	0	50	BGAA	
CC(C)(C)NCCOc1ccccc1Cl	2931741	BLEWVQXCYMEPFS-UHFFFAOYSA-N	227.735	3.107	0	50	BGAA	
CCC[C@@H](C)NC(=O)Nc1ccc(C)c(F)c1	13320218	BKCYJHKHQPIRCK-SNVBAGLBSA-N	238.306	3.444	0	50	BGAA	
CC(C)COc1ccccc1Br	19486856	DCOQYOOGBVINTA-UHFFFAOYSA-N	229.117	3.484	0	50	BGAA	
N[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F	19968863	TYGZOSNZKNDNRT-SSDOTTSWSA-N	243.150	3.268	0	50	BGAA	
Cc1nc(-c2cccc(OC(F)(F)F)c2)c[nH]1	32537274	KDRPFHWFZIYUGZ-UHFFFAOYSA-N	242.200	3.284	0	50	BGAA	
COc1ccc([C@H]2CCC[C@@H](CC(=O)O)C2)cc1	34133031	ATOJJGJTWYSPGT-YPMHNXCESA-N	248.322	3.444	0	50	BGAA	
Nc1cc(F)c(C2=CCSCC2)c(F)c1	44126980	QFGPTCRZVHKSFY-UHFFFAOYSA-N	227.279	3.067	0	50	BGAA	
CCC(=O)N[C@H](C)CC(C)(C)c1ccccc1	72442329	LHPFCCLPSCSZMJ-GFCCVEGCSA-N	233.355	3.269	0	50	BGAA	
CC(C)c1cc(Br)cc(C=O)c1	90411233	DHRBQVRECXNDKZ-UHFFFAOYSA-N	227.101	3.385	0	50	BGAA	in-vitro
O=C(O)c1cccc(Cc2cccc(F)c2)c1	91304742	RPTTVZIXRSLVJG-UHFFFAOYSA-N	230.238	3.115	0	50	BGAA	in-vitro
CCC(CC)Nc1cccc(-c2ncn(C)n2)c1	153490445	NJZOWSHSZKQXSD-UHFFFAOYSA-N	244.342	3.083	0	50	BGAA	
CCOc1ccc(C)c(F)c1Br	261494280	UCCLRVCHZKEDQT-UHFFFAOYSA-N	233.080	3.295	0	50	BGAA	
C=CC(=O)N(C)[C@@H](c1ccc(Cl)cc1)C1CC1	1875366635	FAQMQNYMBYGBJD-CQSZACIVSA-N	249.741	3.436	0	50	BGAA	
O=C(NCc1ccccc1)c1ccc(Cl)cc1	75812	LSMWDKIFKGLNSW-UHFFFAOYSA-N	245.709	3.270	0	50	BGAA	
COc1cc(NC(C)=S)ccc1SC	409006	BVTITDLRACYMAW-UHFFFAOYSA-N	227.354	3.176	0	50	BGAA	
CCC(CC)C(=O)N(C)c1ccccc1	464133	SNZCLMYJDVUZEU-UHFFFAOYSA-N	205.301	3.086	0	50	BGAA	
COc1c(C)cc(Br)cc1C	1716980	MMARFGDTMJBIBK-UHFFFAOYSA-N	215.090	3.075	0	50	BGAA	in-vitro
OCCSc1cccc(Cl)c1Cl	2511117	LXRFUECAKNKBDV-UHFFFAOYSA-N	223.124	3.078	0	50	BGAA	
CNC(=O)Nc1ccc(C(C)(C)C)c(C)c1	4110413	PUFKHTHHKQTYOK-UHFFFAOYSA-N	220.316	3.044	0	50	BGAA	
CC[C@@H](C(=O)N(CC)CC)c1ccccc1	5476814	MKMAIDOENHTYNN-CYBMUJFWSA-N	219.328	3.049	0	50	BGAA	in-vitro
C[C@H](NC(C)(C)C)C(=O)c1ccc(Cl)cc1	33647601	IELBAACIVCODPI-VIFPVBQESA-N	239.746	3.299	0	50	BGAA	in-vivo
C1=C(CCn2ccnc2[C@H]2CCOC2)CCCC1	67674013	REEOTGUEHPVTPF-AWEZNQCLSA-N	246.354	3.278	0	50	BGAA	
Cc1nnc(N2CCC[C@H]2c2ccccc2C)o1	275384499	PNFIDWKTTNJRBQ-ZDUSSCGKSA-N	243.310	3.028	0	50	BGAA	
Cc1cc(-c2nc(C)cc(C3CCC3)n2)ccn1	426545116	SUGAHFFLFWEXHZ-UHFFFAOYSA-N	239.322	3.423	0	50	BGAA	
C/C=C/C(=O)N(C)CCSc1ccc(C)cc1	534581035	HGOODASWLZSGOU-SNAWJCMRSA-N	249.379	3.122	0	50	BGAA	
Clc1cccc(NCc2ccncc2)c1	183303	QILVGMCYOLTHGZ-UHFFFAOYSA-N	218.687	3.347	0	50	BGAA	
CC(C)(C)Sc1ccccc1CC(=O)O	338969	AZZKNJHRWWLARP-UHFFFAOYSA-N	224.325	3.204	0	50	BGAA	
CCC(=O)Oc1ccc2ccccc2c1	403091	KVMXEPJRCAPKJL-UHFFFAOYSA-N	200.237	3.155	0	50	BGAA	in-vitro
Cc1cccc(NC(=O)[C@H]2CCOC(C)(C)C2)c1	522130	SONQUHQFDGQVNN-LBPRGKRZSA-N	247.338	3.139	0	50	BGAA	
CC[C@@H](C)c1ccccc1NC(=O)CCC(=O)O	6698695	MTNBRQWBDIOLAR-SNVBAGLBSA-N	249.310	3.003	0	50	BGAA	
CC[C@@H](NC(=O)c1ccco1)c1ccccc1	6741562	COBZLPKAPNWWOZ-GFCCVEGCSA-N	229.279	3.161	0	50	BGAA	
CC(C)Sc1ccccc1C(=O)NC1CC1	8500078	ONMGRVVDERIMDM-UHFFFAOYSA-N	235.352	3.079	0	50	BGAA	
CC[C@H](C)NC(=O)N[C@H](C)c1ccc(C)cc1C	13746244	QZBGLPBRODKJIJ-QWHCGFSZSA-N	248.370	3.462	0	50	BGAA	
Clc1ccc(OCc2ccccc2)cn1	34080460	QLUMNDLJGBUHPB-UHFFFAOYSA-N	219.671	3.314	0	50	BGAA	in-vitro
C[C@H](NCCC(=O)OC(C)(C)C)c1ccccc1	47218958	KWVMYMIPSINHKF-LBPRGKRZSA-N	249.354	3.069	0	50	BGAA	
COc1cc(F)ccc1-c1ccc2[nH]cnc2c1	65404096	FMDRUCZPYUWWCX-UHFFFAOYSA-N	242.253	3.378	0	50	BGAA	
Clc1n[nH]c(Cc2cccc3ccccc23)n1	216628462	HBXDKECUMQLAIH-UHFFFAOYSA-N	243.697	3.202	0	50	BGAA	
CCCC[C@@H](C)C(=O)N[C@@H]1CCCc2[nH]ccc21	253395699	PHVPNCNROWFNQR-BXUZGUMPSA-N	248.370	3.335	0	50	BGAA	
O=C(O)c1ccc(C(F)(F)C(F)(F)F)s1	1857780969	YFTRTEOJPCFXCC-UHFFFAOYSA-N	246.156	3.100	0	50	BGAA	
CC(C)(Br)C(=O)c1ccccc1	153526	QMOSZSHTSOWPRX-UHFFFAOYSA-N	227.101	3.043	0	50	BGAA	
Cc1cccc2c1OC(=O)C[C@H]2c1ccccc1	313216	DHWCYWMREWZXQR-AWEZNQCLSA-N	238.286	3.436	0	50	BGAA	
Cc1nc2cc(Cl)c(Cl)cc2n1C	370098	ZLJHHGSEAITOGJ-UHFFFAOYSA-N	215.083	3.189	0	50	BGAA	
Nc1ccc2cc(Br)ccc2c1	1600009	UBLKHAWYJFEPDX-UHFFFAOYSA-N	222.085	3.185	0	50	BGAA	in-vitro
NCc1csc2ccc(Br)cc12	5177616	DVYWOASQESEKEC-UHFFFAOYSA-N	242.141	3.123	0	50	BGAA	in-vitro
CCCCn1c(-c2ccoc2C)n[nH]c1=S	5898054	FZXSTUSBNNLYRV-UHFFFAOYSA-N	237.328	3.309	0	50	BGAA	
O=C(O)c1ccc(SC2CCCC2)cc1	22220565	LUPXZOGBGAFZNK-UHFFFAOYSA-N	222.309	3.420	0	50	BGAA	
CNc1ccccc1-c1cccc(C(=O)O)c1	65336930	OUXPNNDERWQIOZ-UHFFFAOYSA-N	227.263	3.094	0	50	BGAA	in-vitro
OC1(COc2ccc3cc[nH]c3c2)CCCCC1	794754699	LXGXQFYYUXWMSY-UHFFFAOYSA-N	245.322	3.242	0	50	BGAA	
Nc1ccnc(-c2cnc3cccc(F)c3c2)c1	1857733217	ZZASBMIPPYYTKI-UHFFFAOYSA-N	239.253	3.018	0	50	BGAA	
CSc1ccccc1-c1[nH]c(=N)sc1C	1875366991	DWHFMJYSUDDSMR-UHFFFAOYSA-N	236.365	3.253	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)Nc1cccnc1	224722	QPGSWBUOFHXFFX-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	
Cc1cccc(C(=O)OCc2ccccc2)c1	363507	MQFWKCFSZJWETP-UHFFFAOYSA-N	226.275	3.352	0	50	BGAA	
CC(C)CC(=O)Nc1ccc(F)c(Cl)c1	383681	UCRUPDLBRNQIHP-UHFFFAOYSA-N	229.682	3.464	0	50	BGAA	
CCOC(=O)c1ccc2ccccc2c1	394910	HQKSINSCHCDMLS-UHFFFAOYSA-N	200.237	3.017	0	50	BGAA	in-vitro
CC(C)c1ccc(/C=C/C2=NNC(=O)CC2)cc1	1382983	WXUVHMUASUDVKR-VMPITWQZSA-N	242.322	3.089	0	50	BGAA	
C[C@H](N)C(c1ccccc1)c1ccccc1	1748031	XNKICCFGYSXSAI-LBPRGKRZSA-N	211.308	3.166	0	50	BGAA	in-vitro
CCOC(=O)c1cc2cc(F)cc(Cl)c2[nH]1	2513870	NHKBYNBUBRJWJJ-UHFFFAOYSA-N	241.649	3.137	0	50	BGAA	
CCn1c([C@@H](C)Oc2ccccc2)n[nH]c1=S	5909239	IQQLIRYLDUFNFD-SECBINFHSA-N	249.339	3.101	0	50	BGAA	in-vitro
CCC(=O)Nc1ccc(-c2ccncc2)c(C)c1	20450933	NFNBUCBLPCXSKK-UHFFFAOYSA-N	240.306	3.406	0	50	BGAA	
CC(=O)c1c[nH]c2cc(Br)ccc12	21982356	JKNOMMZAFCVSGO-UHFFFAOYSA-N	238.084	3.133	0	50	BGAA	
Clc1ccnc2cc(Br)cnc12	95348184	SKKJMLNKELECHI-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
CCCOc1ccc(O)c(Cl)c1Cl	261493546	DHXCXEMSXZGPLR-UHFFFAOYSA-N	221.083	3.488	0	50	BGAA	
C[C@@H]1CCCN1C(=O)c1cc(F)ccc1Cl	293363961	GTIWCZVBKTYRKC-MRVPVSSYSA-N	241.693	3.104	0	50	BGAA	
COc1ccc2c(c1)N(C(C)=O)C(C)(C)C[C@@H]2C	618257505	YPMIFRIZLOXFCY-JTQLQIEISA-N	247.338	3.334	0	50	BGAA	
O=C1OC(=Cc2ccccc2)N=C1c1ccccc1	1857795550	LDVFFQFWQPYFSE-UHFFFAOYSA-N	249.269	3.031	0	50	BGAA	
CC[C@H](C)NC(=O)Nc1ccc(F)c(Cl)c1	137467	XFMSSXKOLHZUGI-ZETCQYMHSA-N	244.697	3.399	0	50	BGAA	
CCCNC(=O)COc1cc(C)ccc1C(C)C	2084812	CQDBFDPVBZNVIL-UHFFFAOYSA-N	249.354	3.023	0	50	BGAA	
Cc1cccc(C)c1C(=O)C(F)(F)F	2378563	ZCXOVQMIBTWGCB-UHFFFAOYSA-N	202.175	3.048	0	50	BGAA	
CC(C)(C)c1ccc(C2CCNCC2)cc1	14629020	WVOOEDDRRXWYSR-UHFFFAOYSA-N	217.356	3.451	0	50	BGAA	
COc1ccc2sc(Br)nc2c1	40448304	XDYFAYVQPCTFOY-UHFFFAOYSA-N	244.113	3.067	0	50	BGAA	
Cc1ccc(-c2cc(C(=O)O)cc(Cl)n2)cc1	44672197	NVYTZKXBYILOPE-UHFFFAOYSA-N	247.681	3.409	0	50	BGAA	
COc1ccc(-c2nccc3ccccc23)cn1	67878275	LBUZRECGZZDBCX-UHFFFAOYSA-N	236.274	3.305	0	50	BGAA	
CCNC(C)(C)C(=O)c1cc2ccccc2s1	96027496	ITQDNVXMSGCCED-UHFFFAOYSA-N	247.363	3.472	0	50	BGAA	
C[C@@H]1CC[C@H](c2nc(Cc3cncs3)no2)C1	330093346	ZQMJOVOJYQXSFI-BDAKNGLRSA-N	249.339	3.021	0	50	BGAA	
Fc1ccc2cc(-c3ccncc3)cnc2c1	1239609411	CWZKANUHVWOROY-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
O=C(c1ccc(O)cc1)c1ccc(Cl)cc1	155545	RUETVLNXAGWCDS-UHFFFAOYSA-N	232.666	3.277	0	50	BGAA	in-vitro
Cc1ccc(C(=O)N2CCc3ccccc32)cc1	190916	HHQOFVLYUPEKNF-UHFFFAOYSA-N	237.302	3.198	0	50	BGAA	
CC(C)N1C(=O)[C@H](C)S[C@H]1c1ccccc1	277904	SDKLGBFPKQIVEN-GWCFXTLKSA-N	235.352	3.058	0	50	BGAA	
CC1CCC(N[C@H](C)CCCC(C)(C)O)CC1	280451	AYBRFEFKMKMFRU-ROKHWSDSSA-N	241.419	3.484	0	50	BGAA	
O=C(Nc1ccccc1)[C@H]1C[C@H]1c1ccccc1	357386	RWEUWCXPDZJTGC-GJZGRUSLSA-N	237.302	3.429	0	50	BGAA	
O=C(O)c1c(-n2cccc2)sc2c1CCCC2	497565	PQZRKVPZZLXACN-UHFFFAOYSA-N	247.319	3.116	0	50	BGAA	biogenic,in-vitro
c1cncc(CNC23CC4CC(CC(C4)C2)C3)c1	4075378	MQGCWYOYOGXQBU-UHFFFAOYSA-N	242.366	3.140	0	50	BGAA	
S=C1NC2(CCCCCC2)Nc2ccccc21	4372224	UWQPLNLJLOVGIV-UHFFFAOYSA-N	246.379	3.428	0	50	BGAA	
C[C@H](O)c1c(Cl)ccc(F)c1Cl	12506507	JAOYKRSASYNDGH-BYPYZUCNSA-N	209.047	3.186	0	50	BGAA	in-vitro
CCCCC(=O)Nc1cc(C)ccc1F	13325545	XROYKLDKGMGDJX-UHFFFAOYSA-N	209.264	3.263	0	50	BGAA	
Cc1ccc2c(c1)c1ncnc(Cl)c1n2C	34925354	OOFAQDWZOOIYNY-UHFFFAOYSA-N	231.686	3.083	0	50	BGAA	
CCC(CC)(OCCN(C)C)c1ccccc1	96026705	GBVWFEFYOANCDQ-UHFFFAOYSA-N	235.371	3.280	0	50	BGAA	
CC(=O)OCC1[C@@]23CC=CC[C@]12CCCC3	101037385	NEVSGDHNBMPVQO-KBPBESRZSA-N	220.312	3.076	0	50	BGAA	
COC(=O)Cc1cc(Cl)cc(Cl)c1C	144682404	YDKIUWMFEZQXPC-UHFFFAOYSA-N	233.094	3.017	0	50	BGAA	
C[C@@H]1C[C@H]1c1nc(-c2ccc3cc[nH]c3c2)no1	225592266	BKNHEFQPWPQULX-LDYMZIIASA-N	239.278	3.341	0	50	BGAA	
O=Cc1cc(OC(F)F)cc(Cl)c1Cl	263625025	WCAMREOGQVOGEM-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
CC1(C(=O)N2CC(C3CCCC3)C2)C[C@@H]2C[C@H]2C1	334348465	YWQADHBDHJLTTJ-STQMWFEESA-N	247.382	3.071	0	50	BGAA	
COc1cccc(-c2cccc([C@H](C)OC)c2)n1	426548557	RWLGXTGUHSKWHM-NSHDSACASA-N	243.306	3.465	0	50	BGAA	
Cc1cc(N)cc(-c2cccc3nsnc23)c1	1875290172	CLICMXWZSICYFU-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
CC(C)(C)NC(=O)c1ccc(C(F)(F)F)cc1	24395	UFTLWFJGHNRZBT-UHFFFAOYSA-N	245.244	3.234	0	50	BGAA	
Cc1cc(Cl)c2c(N)cc(C)c(C)c2n1	92781	RDZZDXXURQBAEQ-UHFFFAOYSA-N	220.703	3.396	0	50	BGAA	
O=C(O)/C=C/c1ccc(-c2ccccc2)o1	363263	GGEKLCJBCQCQPL-VQHVLOKHSA-N	214.220	3.044	0	50	BGAA	in-vitro
O=C(OC[C@@H]1CC=CCC1)C1CCCC1	392622	ZNUQHZPZYHKQJH-LLVKDONJSA-N	208.301	3.076	0	50	BGAA	
Cc1[nH]c2ccccc2c1C(=O)C(F)(F)F	2832618	QZYDALIAQZHUHN-UHFFFAOYSA-N	227.185	3.221	0	50	BGAA	in-vitro
CC(C)=CCC[C@@H](C)CCNCCCN(C)C	3002639	FWIVRDOYMAXCAR-OAHLLOKOSA-N	240.435	3.300	0	50	BGAA	
COc1ccc(/C=C/c2cc(O)cc(O)c2)cc1	3978779	IHVRWFJGOIWMGC-NSCUHMNNSA-N	242.274	3.277	0	50	BGAA	biogenic,in-vitro
Cc1ccccc1CNC1CCCCC1	4167823	LKCSEKZOYZOQAS-UHFFFAOYSA-N	203.329	3.417	0	50	BGAA	
Cc1cc(Cl)ccc1C(=O)C(F)(F)F	4253172	SJBSFYVEKYGCAS-UHFFFAOYSA-N	222.593	3.393	0	50	BGAA	
CC[C@H](C(=O)NCc1ccco1)c1ccccc1	5476417	QRNRCWAEGLFQSU-AWEZNQCLSA-N	243.306	3.090	0	50	BGAA	
O=C(O)[C@@H]1CCc2ccc3cccc4c3c2[C@H]1C4	25757894	DXGZSJTVJKYPCD-OLZOCXBDSA-N	238.286	3.127	0	50	BGAA	
CCCC[C@H](CO)N[C@@H](C)CCc1ccccc1	32592812	FEJDGPLMLCGCDK-GOEBONIOSA-N	249.398	3.148	0	50	BGAA	
Cc1c[nH]c2c(Br)cc(F)cc12	44460302	RIPHXXHZNPGTMV-UHFFFAOYSA-N	228.064	3.378	0	50	BGAA	in-vitro
c1ccc2ncc(-c3nccs3)cc2c1	67559067	CJAPMRRFCBCQHP-UHFFFAOYSA-N	212.277	3.358	0	50	BGAA	
CN1CCC[C@@H](c2ccccc2)C1(C)C	96026900	KNJWHDNGLSGYHI-ZDUSSCGKSA-N	203.329	3.274	0	50	BGAA	
CC[C@H](N[C@@H](C)c1cccc(O)c1)[C@@H]1CCCO1	194938147	JZEKZNXUMHZTMM-CQDKDKBSSA-N	249.354	3.000	0	50	BGAA	
Cc1ccc(OC(=O)[C@@H]2[C@H]3CCCC[C@H]32)cc1	245380065	PZWUSILOXAOYAF-WDNDVIMCSA-N	230.307	3.337	0	50	BGAA	
Oc1cc(OCc2ccccc2)c(F)cc1F	261494368	VVRXWROSSBRIEZ-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
CCC(=O)Nc1cc(-c2ccco2)nn1C(C)C	279077044	LFPPKKVNSBDCRC-UHFFFAOYSA-N	247.298	3.073	0	50	BGAA	
Nc1cc(-c2ccncc2)c(Cl)s1	827597096	OKQLHCAHZKMAQP-UHFFFAOYSA-N	210.689	3.046	0	50	BGAA	
Cc1ccc(Cc2nc3ccccc3[nH]2)cc1	255831	HULPJQXXYCPOHN-UHFFFAOYSA-N	222.291	3.462	0	50	BGAA	
C[C@H]1CCC[C@@H](NC(=O)Nc2ccccc2)C1	406692	UXGLJMTVLABYEG-WCQYABFASA-N	232.327	3.387	0	50	BGAA	
Cc1ccccc1C(=O)NC(C(C)C)C(C)C	453656	ASYJBVNUVAWFRP-UHFFFAOYSA-N	233.355	3.405	0	50	BGAA	
Cc1ccc(COc2ccccc2CO)cc1	460628	LCKSPFMJZVFPJZ-UHFFFAOYSA-N	228.291	3.066	0	50	BGAA	
O=C(O)c1ccccc1-c1cc(F)cc(F)c1	2513030	FMRKSLAIPVOBEK-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	
CNc1nnc(C23CC4CC(CC(C4)C2)C3)s1	4727923	BKCVNQZNFYZIJZ-UHFFFAOYSA-N	249.383	3.048	0	50	BGAA	
CCNCCOc1ccc(Cl)c2ccccc12	6702013	UNFYPTSFDPGSCG-UHFFFAOYSA-N	249.741	3.482	0	50	BGAA	
CC(=O)c1ccc(N2CCC[C@H](C)C2)c(F)c1	19870998	XCRXOYDQRBYDEP-JTQLQIEISA-N	235.302	3.265	0	50	BGAA	
Oc1cccc2ccc(Br)cc12	39424643	STJXOXMPODAEAK-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
CCCC(=O)N(Cc1ccncc1)[C@H](C)CC	55269740	AXFVGSDHETTXAQ-GFCCVEGCSA-N	234.343	3.009	0	50	BGAA	
Cc1cccc(Br)c1Cl	63926336	ZAUOWBCSUDVVQT-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	in-vitro
C[C@H]1CC(C)(C)Nc2ccc(C(=O)O)cc21	72417502	QVFOSMHNHGVRJT-QMMMGPOBSA-N	219.284	3.083	0	50	BGAA	
Cc1cc2ccncc2cc1Br	139705759	XAQFVZOUMARUJX-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
CCOCCNC1(c2ccccc2)CCCCC1	139716533	PRQVCBDFWYTXDD-UHFFFAOYSA-N	247.382	3.472	0	50	BGAA	in-vitro
c1ccc(CCSCc2ccco2)nc1	165475337	KETCYGLMLBUQDW-UHFFFAOYSA-N	219.309	3.151	0	50	BGAA	
C[C@@H]1CC(C)(C)C[C@H]1NCCc1nccs1	192391261	UBZWWOKBVSEHAD-GHMZBOCLSA-N	238.400	3.100	0	50	BGAA	
Oc1nc(C2CCC2)nc2sc3c(c12)CCC3	757121398	LOMLIJJBUKULRW-UHFFFAOYSA-N	246.335	3.153	0	50	BGAA	
Nc1ccc(-c2nc3ccccc3s2)c(O)c1	123076	PJHQPFRPACFPPM-UHFFFAOYSA-N	242.303	3.251	0	50	BGAA	
Cc1ccccc1NC(=S)NC1CCCC1	458885	GJPLRZBCCJMNTM-UHFFFAOYSA-N	234.368	3.224	0	50	BGAA	
Cc1ccc(CNc2ccc(O)cc2)s1	528927	NPTNABJNNRGKSA-UHFFFAOYSA-N	219.309	3.374	0	50	BGAA	
Cc1onc(-c2ccc(Cl)cc2)c1C(=O)O	1402686	YFZLFMSGZBNUPJ-UHFFFAOYSA-N	237.642	3.002	0	50	BGAA	
CCOC(=O)C(C)(C)Oc1cc(C)cc(C)c1	1459473	OHTDUAKDCAVKQR-UHFFFAOYSA-N	236.311	3.024	0	50	BGAA	
CCCC[C@@]1(C(F)(F)C(F)(F)F)CCCN1	4234957	WATUAYSAIHYCTR-QMMMGPOBSA-N	245.235	3.496	0	50	BGAA	
Cc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1	6531045	VOXQKMQIUQMXIY-UHFFFAOYSA-N	236.274	3.102	0	50	BGAA	
Fc1ccc2c(Br)ccnc2c1F	36075571	XMRWACGSQHZGJV-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	in-vitro
COc1c(Cl)ccc(F)c1Br	40571985	BPXMFYGMPLYSFZ-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
CC(C)(CCCOc1ccc(F)cc1)C(=O)O	41283514	FHQRYJHOYPEDTR-UHFFFAOYSA-N	240.274	3.096	0	50	BGAA	
C[C@H](Nc1ccc2cc[nH]c2n1)c1ccco1	72157237	HRZRUQBAVMJXJT-VIFPVBQESA-N	227.267	3.329	0	50	BGAA	
FC(F)(F)c1cnc2nc(Cl)sc2c1	72338627	FQZKCZBDVYCJMG-UHFFFAOYSA-N	238.621	3.364	0	50	BGAA	
C[C@@H](Nc1ccc2[nH]ncc2c1)[C@H]1CC1(C)C	225611425	LZSZXQLJOSPGEV-BXKDBHETSA-N	229.327	3.409	0	50	BGAA	
Cc1cnc(CNC[C@]2(C)CC[C@H](C)C2(C)C)[nH]1	657589103	FEXUTAWCMXSPAN-NHYWBVRUSA-N	249.402	3.270	0	50	BGAA	
Cc1cc(Cl)ccc1NC(=O)NC(C)C	396545	CJZLMEHFBQBPTA-UHFFFAOYSA-N	226.707	3.178	0	50	BGAA	
CCOC(=O)Nc1cccc2ccc(O)cc12	401165	KJADDPWIRVBKPZ-UHFFFAOYSA-N	231.251	3.114	0	50	BGAA	
Cc1ccc(/C=C/C(=O)Nc2cccc(F)c2)o1	476706	QEZUCMXZFQCTRB-BQYQJAHWSA-N	245.253	3.379	0	50	BGAA	
Cc1ccc(OC(=O)OCC(C)C)cc1	1225269	FSTJEGRHKRMKRW-UHFFFAOYSA-N	208.257	3.166	0	50	BGAA	
Clc1cnc2ccc(Br)cc2n1	4344022	AZUMKBQKUXTHCM-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
C[C@H](c1ccccc1)n1nnc2ccccc21	4487640	OPHKDUBTSCTCPN-LLVKDONJSA-N	223.279	3.041	0	50	BGAA	
O=C(O)c1cccc(-c2ccccc2Cl)n1	35630160	NRJFTQTUUVDZMD-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
CCCCn1ncc2[nH]c([C@H](C)CCC)nc21	48422447	KKEODQRUFLENHQ-SNVBAGLBSA-N	234.347	3.463	0	50	BGAA	
COc1cccc(-c2cccc(C)c2C(=O)O)c1	65349958	YDBJUQJDEZXKRP-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
CC(=O)c1c[nH]c2c(Br)cccc12	82329817	ZRGRITPJQJCAFA-UHFFFAOYSA-N	238.084	3.133	0	50	BGAA	
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C	241837472	SKKKLKCFFQGVHX-LPWJVIDDSA-N	223.360	3.118	0	50	BGAA	
Fc1ccc(-c2noc(C3CCC3)n2)c(F)c1	293422145	UZQCAMLJMGXVJE-UHFFFAOYSA-N	236.221	3.282	0	50	BGAA	
Cc1cc2nccc(-c3ccc(Cl)cc3)n2n1	153790	RHYMWBGMRPCLAC-UHFFFAOYSA-N	243.697	3.358	0	50	BGAA	
COc1ccc(NC(=O)N2CCCC[C@H]2C)cc1	400219	PNPLJRNYOSIQOD-LLVKDONJSA-N	248.326	3.102	0	50	BGAA	
O=C(c1cc2ccccc2o1)N1CCCCCC1	619887	MHVFDDCTRFWAMO-UHFFFAOYSA-N	243.306	3.449	0	50	BGAA	
O=C(O)c1cc(Cl)cc(C(F)(F)F)c1	2527769	IDLOGBMWOUINGG-UHFFFAOYSA-N	224.565	3.057	0	50	BGAA	in-vitro
c1ccc(CCn2cnc3ccccc32)cc1	2695399	GLKFHNCBBKKHGM-UHFFFAOYSA-N	222.291	3.279	0	50	BGAA	
CCCCCCNC(=O)[C@H]1C[C@@H]1c1ccccc1	3159847	PXGCWKFAOBRYAR-CABCVRRESA-N	245.366	3.487	0	50	BGAA	
CCOc1cccc(NC(=O)OC(C)(C)C)c1	9816946	GMEKMNSVGZLPHP-UHFFFAOYSA-N	237.299	3.432	0	50	BGAA	
CCc1ccc(CCC(=O)NC(C)(C)C)cc1	10338180	NCWVKCXIDSLHMO-UHFFFAOYSA-N	233.355	3.096	0	50	BGAA	
O=C(O)c1cncc(-c2cccc(Cl)c2)c1	12955799	QTMFBTMLLNVUPT-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
Cc1ccnc(NC(=O)/C=C/c2ccccc2)c1	13234492	UVUGAQCLYJELOM-BQYQJAHWSA-N	238.290	3.042	0	50	BGAA	
CCc1nc(NC2CC2)c2cc(C)sc2n1	41091007	OIDHBTUZFGSLDW-UHFFFAOYSA-N	233.340	3.136	0	50	BGAA	
C1=CC2(CCC3OCCCO3)C=CCC2C1	45072193	YQEXXXMZVSOXQQ-UHFFFAOYSA-N	220.312	3.052	0	50	BGAA	
C1=C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6[C@@H]5[C@H]([C@@H]2[C@H]16)[C@H]43	257356792	KGSHKEGGGVMYNT-VILRLWHYSA-N	212.336	3.347	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1C[C@@H](C)[C@H]1C	585086442	BATBWVHBOFOGDH-VXGBXAGGSA-N	232.327	3.176	0	50	BGAA	
CCC(CC)CN(C)Cc1n[nH]c(C)c1Cl	952972241	DZADXPIDVJCGEL-UHFFFAOYSA-N	243.782	3.240	0	50	BGAA	
C[C@H](NC(=O)c1ccccc1)c1ccccc1	38449	FALTVGCCGMDSNZ-LBPRGKRZSA-N	225.291	3.178	0	50	BGAA	biogenic
Cc1ccccc1C(=O)Nc1ccccc1	396264	MZNCVTCEYXDDIS-UHFFFAOYSA-N	211.264	3.247	0	50	BGAA	in-vitro
Cc1ccccc1CNC(=O)c1ccc(F)cc1	452238	LEEKWTRWBGTRLB-UHFFFAOYSA-N	243.281	3.064	0	50	BGAA	
O=C(NC1CCCCC1)c1ccc(F)c(F)c1	1117014	OOGSNACNMGOKPL-UHFFFAOYSA-N	239.265	3.027	0	50	BGAA	
CNCc1ccccc1OCc1ccccc1F	4657474	IAQFPBXPRHVJOS-UHFFFAOYSA-N	245.297	3.124	0	50	BGAA	
CCOc1ccc(NC(=O)OC(C)(C)C)cc1	6729304	JTRBUZCTWMDFDP-UHFFFAOYSA-N	237.299	3.432	0	50	BGAA	
Clc1ncc(Br)c2cccnc12	11919337	GEVCHQPTJOFDSA-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
COc1ccccc1CNCCc1ccccc1	19570858	UTYSBUBGYZSUPZ-UHFFFAOYSA-N	241.334	3.028	0	50	BGAA	
Cc1ccncc1-c1ccc(-c2ccn[nH]2)cc1	65408785	YNKSJTUOLLRWFE-UHFFFAOYSA-N	235.290	3.447	0	50	BGAA	
Brc1cccc(OC2CCC2)c1	96029191	PKZGCKVQXZWKRV-UHFFFAOYSA-N	227.101	3.380	0	50	BGAA	in-vitro
CCOC(=O)c1cc2scc(Cl)c2[nH]1	115643072	YUIDGONLMDUWNF-UHFFFAOYSA-N	229.688	3.060	0	50	BGAA	
Cc1ccc(NC(=O)c2cccs2)cc1F	46478	VGWJDRSVUDADLG-UHFFFAOYSA-N	235.283	3.448	0	50	BGAA	
Nc1ccc(Sc2ccc(Cl)cc2)nc1	92569	MGGFMQJJHUULTL-UHFFFAOYSA-N	236.727	3.468	0	50	BGAA	
Clc1nc(-c2cccnc2)nc2ccccc12	183800	TWEFNYVYEPIXIB-UHFFFAOYSA-N	241.681	3.345	0	50	BGAA	
O=C(Nc1ccc(F)cc1F)c1cccs1	235674	KASHHFXSDUUGMR-UHFFFAOYSA-N	239.246	3.279	0	50	BGAA	
COC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C	1459370	LYGQRPUJGWFLDS-NSHDSACASA-N	236.311	3.059	0	50	BGAA	
CC[C@H](O)Cc1cccc2ccccc12	3137131	LIASRJOGPSYKMP-ZDUSSCGKSA-N	200.281	3.153	0	50	BGAA	
c1cnc2nc(-c3ccc4c(c3)CCCC4)cn2c1	4235094	LTFNAXISWDYFGD-UHFFFAOYSA-N	249.317	3.275	0	50	BGAA	
CCCN[C@@H](C)C(=O)C12CC3CC(CC(C3)C1)C2	4981789	XGJOECLPDPPROH-IKMFHRHGSA-N	249.398	3.160	0	50	BGAA	
Cc1ccc(-c2cc[nH]c(=S)n2)cc1	6054192	ZRXJKQAUCSXMTF-UHFFFAOYSA-N	202.282	3.115	0	50	BGAA	in-vitro
Brc1csc2ccncc12	32250795	AELJTKUDYYGBSY-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Nc1cc(OC(F)F)cc(Cl)c1Cl	263624325	PIFWPHPOJBMXIT-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
CC(C)c1ncc(CN(C)C[C@@H]2CC2(C)C)cn1	670444926	SIAXSGRBORPKEV-ZDUSSCGKSA-N	247.386	3.078	0	50	BGAA	
CC(C)=CC(=O)Nc1ccc(C)c(C)c1	145612	BQXFAHUDSBTCBA-UHFFFAOYSA-N	203.285	3.208	0	50	BGAA	
Fc1ccccc1-c1nc2ccccc2[nH]1	151885	ASFACGIBGAEFHS-UHFFFAOYSA-N	212.227	3.369	0	50	BGAA	in-vitro
O=C(Oc1cccc2cccnc12)c1ccco1	175607	GZLFCAJSXRIEDL-UHFFFAOYSA-N	239.230	3.047	0	50	BGAA	
CCN(Cc1ccccc1)Cc1ccncc1	217911	UUZQLTDOOLBQJT-UHFFFAOYSA-N	226.323	3.104	0	50	BGAA	
c1ccc(-c2nnc(-c3cccs3)o2)cc1	226969	ZYDSVVJOKWROPS-UHFFFAOYSA-N	228.276	3.465	0	50	BGAA	
C[C@H](CC(=O)Nc1ccncc1)c1ccccc1	318512	VUPPWOJQLPSRPQ-GFCCVEGCSA-N	240.306	3.214	0	50	BGAA	
Cc1ccccc1C(=O)N(C)c1ccccc1	394473	BLVWIUIAWUKQQH-UHFFFAOYSA-N	225.291	3.272	0	50	BGAA	
CC(C)C(NC(=O)/C=C/c1ccccc1)C(C)C	454448	IHTSWIBFDAMSLY-ZHACJKMWSA-N	245.366	3.497	0	50	BGAA	
Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl	456577	OSHHUWPYKZAALV-UHFFFAOYSA-N	243.697	3.466	0	50	BGAA	
O=C(O)/C=C/c1ccc(-c2ccc(F)cc2)o1	2820255	LHPYNYVABBATBM-SOFGYWHQSA-N	232.210	3.184	0	50	BGAA	
CN(C[C@@H](O)c1ccccc1)C[C@H]1CC=CCC1	3681009	XTEFZUUUYVDILA-GOEBONIOSA-N	245.366	3.008	0	50	BGAA	
Cc1ccc(C(C)(C)C)c(O[C@@H](C)C(=O)O)c1	11885590	MTISOYNPHKRTKY-JTQLQIEISA-N	236.311	3.144	0	50	BGAA	
COc1ccccc1OC(=O)c1ccc(F)cc1	12137944	LXABKPIDKBEMSH-UHFFFAOYSA-N	246.237	3.054	0	50	BGAA	
Nc1ccc([C@@H](O)c2ccc(Cl)cc2)cc1	16648275	KVIDWFPVCVKRDE-ZDUSSCGKSA-N	233.698	3.004	0	50	BGAA	
O=C(O)c1cccc(Cc2ccc(F)cc2)c1	49014381	IQZZTFXFBHYWOL-UHFFFAOYSA-N	230.238	3.115	0	50	BGAA	in-vitro
O=C(O)c1cc(F)cc(-c2ccsc2)c1	65349430	HIPLDDAWLQXWFB-UHFFFAOYSA-N	222.240	3.252	0	50	BGAA	in-vitro
C[Si](C)(C)C1([C@H](O)C=C2CCC2)CC1	169829570	DLQZVESKBKWMEO-LLVKDONJSA-N	210.393	3.330	0	50	BGAA	
Fc1cc(F)c2sc(Cl)nc2c1F	238634285	QYQHRXBTJKBBHJ-UHFFFAOYSA-N	223.606	3.367	0	50	BGAA	
c1ccc(-c2csc(-c3cncnc3)n2)cc1	398781225	MDSWWRIVGVBEJM-UHFFFAOYSA-N	239.303	3.267	0	50	BGAA	
C=CC(=O)N1CCCC[C@H]1c1ccc(CC)o1	820436681	HBRBHXWVQRGIHR-LBPRGKRZSA-N	233.311	3.082	0	50	BGAA	
CCCc1cnc(C)nc1NCc1ccsc1	1529106381	NVIILMDMGALLAB-UHFFFAOYSA-N	247.367	3.411	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)Nc1ccccc1	139356	XNBMBSOLUXCLAG-ZDUSSCGKSA-N	232.327	3.483	0	50	BGAA	
CCCc1ccc(-c2ccc(C(=O)O)cc2)nc1	242076	MUUPNHJYELPKQX-UHFFFAOYSA-N	241.290	3.399	0	50	BGAA	
Cc1ccc(OCCCCn2ccnc2)c(C)c1	2494231	RLMHWURDLBHGAE-UHFFFAOYSA-N	244.338	3.359	0	50	BGAA	
C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1O	3128016	MTDQUGFHWNNIRX-OIGZIWTOSA-N	236.314	3.274	0	50	BGAA	
FC(F)(F)c1cccc([C@H]2CCCN2)c1	3732370	JLVNEMRUEAMGSZ-SNVBAGLBSA-N	215.218	3.130	0	50	BGAA	in-vitro
C[C@H](NC(=O)C1CC1)C12CC3CC(CC(C3)C1)C2	5443966	JALGQWFCGKEOGB-HXTFMFRQSA-N	247.382	3.118	0	50	BGAA	
OCCCCCCCCCCCCCO	14771652	HCEPYODGJFPWOI-UHFFFAOYSA-N	216.365	3.262	0	50	BGAA	biogenic,in-vitro
Nc1nc(=S)c(-c2ccc(Cl)cc2)c[nH]1	25695430	AANZSERLGBDCEA-UHFFFAOYSA-N	237.715	3.042	0	50	BGAA	
CCCn1cc(C=O)c2cc(F)ccc21	34925331	ZIBVJAGZPUVTKE-UHFFFAOYSA-N	205.232	3.003	0	50	BGAA	
O=[S@@](c1ccccc1)C(Cl)(Cl)Cl	45069268	FJRVGGPNZINHSV-GFCCVEGCSA-N	243.542	3.122	0	50	BGAA	
CCO[C@@H](C)c1ccc(-c2ccc[nH]c2=O)cc1	96149961	IYCVNSQTDBGKFH-NSHDSACASA-N	243.306	3.139	0	50	BGAA	
CC/C=C(\C)C(=O)Nc1cc(CC)ccc1O	179815792	SZWHTAMTHZOHFI-UXBLZVDNSA-N	233.311	3.249	0	50	BGAA	
CCCCOc1ccc(Br)c(F)n1	261494335	VEJLBXQSIUNYOH-UHFFFAOYSA-N	248.095	3.162	0	50	BGAA	
C1CCCC(NC[C@@H]2CC23CCOCC3)CC1	336299351	XPQQSAABUYLBJZ-ZDUSSCGKSA-N	237.387	3.116	0	50	BGAA	
Cc1sccc1C(=O)Nc1cnn(C(C)C)c1	577822219	DELAUEDORMDSKM-UHFFFAOYSA-N	249.339	3.086	0	50	BGAA	
O=Cc1cccc(F)c1-c1cccc(O)c1F	725270046	DIMXJKHALDEKJS-UHFFFAOYSA-N	234.201	3.150	0	50	BGAA	
Cc1ccccc1-c1nc(-c2ccncc2)no1	238192	GJUVZJBNOGUNHT-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
COc1ccc(C)cc1NCc1ccncc1	292735	GZTWWKHQROSOQR-UHFFFAOYSA-N	228.295	3.011	0	50	BGAA	
CCc1cccc(C)c1NC(=O)NC(C)C	397210	QNVUDQJHYOWENN-UHFFFAOYSA-N	220.316	3.087	0	50	BGAA	
Nc1ccc(Sc2ccccc2)cc1	400101	TZQVSGOOKNNDFU-UHFFFAOYSA-N	201.294	3.420	0	50	BGAA	in-vitro
CC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	619587	IPCIJQQZYSEUDT-UHFFFAOYSA-N	213.280	3.249	0	50	BGAA	
C=Cc1cccc(NC(=O)c2ccco2)c1	1058734	CKPSAGQHQYJPSG-UHFFFAOYSA-N	213.236	3.175	0	50	BGAA	
COc1ccccc1-c1ccccc1C=O	2574086	ZYNNXRUYVVQLOW-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
O=Cc1cccc(Oc2ccc(F)cc2)c1	2579347	HTBZPEDBMOXWID-UHFFFAOYSA-N	216.211	3.431	0	50	BGAA	in-vitro
CC(C)(C)[C@H]1CCc2ccccc2C1=O	32189108	UEAGJMQDBXPLBZ-LBPRGKRZSA-N	202.297	3.478	0	50	BGAA	
CN1/C(=C\N=O)C(C)(C)c2ccccc21	35263094	BQVKFYICIQFBGO-FLIBITNWSA-N	202.257	3.022	0	50	BGAA	
COc1c(Br)ccc2cccnc12	38272589	UQYGSQHBIDZNBX-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
COc1ccc(-c2ccc(C(=O)O)cc2C)cc1	65349977	YOTSVFQKWZCFKL-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
CC(C)c1n[nH]c2ccc(Br)cc12	82328847	MCJCHBZWFJDUJH-UHFFFAOYSA-N	239.116	3.449	0	50	BGAA	
CON(C)C(=O)Nc1cc(Cl)ccc1Cl	135750015	NBIDWPJPVVHCSX-UHFFFAOYSA-N	249.097	3.019	0	50	BGAA	
C[C@@H](CCCC(C)(C)O)N[C@H]1CCCC1(C)C	200565552	MJZSRRKJRUSAMW-STQMWFEESA-N	241.419	3.484	0	50	BGAA	
O=Cc1c(Cl)ccc(Cl)c1OC(F)F	263623729	KESHYSCRQDYNGD-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
CC(F)(F)CCCNCCCC(C)(F)F	718340964	RNPVMAGQYDIICH-UHFFFAOYSA-N	229.261	3.447	0	50	BGAA	
O=C(O)c1cccc([C@H]2CCC23CCC3)c1	1857787184	NDQLVOCKVUVAPF-GFCCVEGCSA-N	216.280	3.433	0	50	BGAA	
C[C@@H](Oc1ccccc1)C(=O)Nc1ccccc1	30511	HBWNEBUCCLAFBK-GFCCVEGCSA-N	241.290	3.093	0	50	BGAA	
O=C(O)/C(=C/c1ccccc1)c1ccccc1	80747	BIDDLDNGQCUOJQ-SDNWHVSQSA-N	224.259	3.312	0	50	BGAA	biogenic,in-vitro
CC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1	149433	SIUNYNHJCCFZBD-UHFFFAOYSA-N	246.335	3.385	0	50	BGAA	
Cc1ccc(NC(=O)NC2CCCC2)cc1C	399276	AGCRDEDGFFUVSY-UHFFFAOYSA-N	232.327	3.368	0	50	BGAA	
CC(=O)N[C@@H]1CCCC[C@H]1Sc1ccccc1	620653	ACBXUZBGFUCFHW-ZIAGYGMSSA-N	249.379	3.226	0	50	BGAA	
O=C(Nc1ccon1)c1csc2ccccc12	1056308	DYRKHNZSHNVCGT-UHFFFAOYSA-N	244.275	3.142	0	50	BGAA	
CCOP(=O)(OCC)C(=O)c1ccccc1	1641071	TZAMQIAPGYOUKF-UHFFFAOYSA-N	242.211	3.093	0	50	BGAA	
CCCCC(=O)N[C@@H]1CCCc2ccccc21	16580717	GVMNDUOLHYQTCO-CQSZACIVSA-N	231.339	3.370	0	50	BGAA	
CCCCNCCOc1cc(C)ccc1Cl	16677494	LOFWALGKWCOGCA-UHFFFAOYSA-N	241.762	3.417	0	50	BGAA	
Fc1cccc(Nc2ccnc(Cl)n2)c1	20358084	FMMZUDJUYCVRBX-UHFFFAOYSA-N	223.638	3.013	0	50	BGAA	in-vitro
COc1ccnc2cc(Br)ccc12	91368572	NBSFJOSQRAIZHB-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
CC(=O)c1ccc(OC(F)(F)F)cc1Cl	118019298	RLBYEOOYGKVSHB-UHFFFAOYSA-N	238.592	3.441	0	50	BGAA	
CCOC(=O)c1cc(F)cc(Cl)c1Cl	263623987	MKCOSBPLWJVMLT-UHFFFAOYSA-N	237.057	3.309	0	50	BGAA	
CCn1cc(-c2cc(C)c(OC)c(C)c2)cn1	1240649711	DDXWRKMIOLLURU-UHFFFAOYSA-N	230.311	3.195	0	50	BGAA	
CCNC(=O)Nc1ccc(Cl)cc1Cl	396350	WKYSRRRXYLCCAQ-UHFFFAOYSA-N	233.098	3.135	0	50	BGAA	
O=C1O[C@H](c2ccccc2)Cc2ccccc21	397633	JFDUCKCMZFPKND-AWEZNQCLSA-N	224.259	3.141	0	50	BGAA	biogenic
Cc1cccc(COc2ccc(C=O)cc2)c1	454179	RWGVWTYFOPRLMF-UHFFFAOYSA-N	226.275	3.387	0	50	BGAA	in-vitro
OCc1cccc(-c2ccccc2Cl)c1	1257715	BLCCWBDGRWGHMT-UHFFFAOYSA-N	218.683	3.499	0	50	BGAA	in-vitro
CCc1sc(N)nc1-c1ccc(C)cc1	4528506	DAAHJYMZZUILGM-UHFFFAOYSA-N	218.325	3.263	0	50	BGAA	
CN(C)C(=O)Oc1ccc(-c2ccccc2)cc1	6730673	JRJSIEHIVVSJHL-UHFFFAOYSA-N	241.290	3.414	0	50	BGAA	
C1=C(CCNCc2cccnc2)CCCC1	13717854	WCKAYQGAMZNKBO-UHFFFAOYSA-N	216.328	3.062	0	50	BGAA	
FC(F)(F)[C@@H](c1ccccc1)[C@@H]1CCCCN1	83323402	DWYITFYTKHCOSX-RYUDHWBXSA-N	243.272	3.475	0	50	BGAA	
CN1CC[C@@H](c2cccc3ccccc23)C1	96026481	VOONEJCSBBMEIF-CYBMUJFWSA-N	211.308	3.259	0	50	BGAA	
C[C@H](N[C@@H]1CCOc2ccccc21)C1CCC1	128478136	QKZAJWIGGIVQIC-SMDDNHRTSA-N	231.339	3.288	0	50	BGAA	
CCSc1cc(C(F)(F)F)cnc1C#N	221898599	ALHBMNPSLFMDRD-UHFFFAOYSA-N	232.230	3.084	0	50	BGAA	
Cc1[nH]ccc1C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21	246102895	BDEZQKPLTWTYKU-MPKXVKKWSA-N	246.354	3.116	0	50	BGAA	
C[C@@H](O)c1cc(-c2cnn3c2CCCC3)cs1	1875291818	MOAKNAJTJZMJKL-SECBINFHSA-N	248.351	3.001	0	50	BGAA	
Cc1cc(C(F)(F)C(F)(F)F)ccc1C=O	1875389839	SJSUUMUFSUAWDY-UHFFFAOYSA-N	238.155	3.462	0	50	BGAA	
Cc1cccc(NC(=O)C2CCCC2)c1C	362235	VFYMTMDQCCWJKB-UHFFFAOYSA-N	217.312	3.432	0	50	BGAA	
CCOc1ccccc1C(=O)N1CCCC[C@H]1C	375943	FCAHFHIFBQQYTP-GFCCVEGCSA-N	247.338	3.100	0	50	BGAA	
C[C@@H](O)C1c2ccccc2-c2ccccc21	2555252	YSCDFPXLCCWBIS-SNVBAGLBSA-N	210.276	3.180	0	50	BGAA	
CNCc1cccc(OCc2ccc(C)cc2)c1	6743368	SYASGOAQKAJNNY-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	
CCC[C@@H](C)c1nccn1Cc1ccco1	67714748	XZLHOJJIPAKYKJ-LLVKDONJSA-N	218.300	3.428	0	50	BGAA	
c1ccc2c(c1)CCN1CC[C@H]3CCCC[C@@]231	96026909	PERYEAFHHZTAKL-ZBFHGGJFSA-N	227.351	3.334	0	50	BGAA	
Cc1cc(Br)c([Si](C)(C)C)s1	169999625	VQEYTRPBKLXCDJ-UHFFFAOYSA-N	249.249	3.364	0	50	BGAA	
c1ccn(-c2cc3c(s2)CCCC3)c1	214597743	HLDPNBXMTNJOLS-UHFFFAOYSA-N	203.310	3.418	0	50	BGAA	
OC[C@]12[C@@H]3c4ccccc4[C@@H]1c1ccccc1[C@@H]32	257358601	VGFGSYOSQGRUNO-LNTUMIRASA-N	234.298	3.005	0	50	BGAA	
CCc1nc(C2(c3ccccc3)CCC2)no1	274074775	UKHCJMITIWNTTK-UHFFFAOYSA-N	228.295	3.102	0	50	BGAA	
CC[C@](C)(NC(C)C)[P@@]1(=O)OCC[C@@H](C)O1	822645465	JDZVLQCLZKNXOH-GLKRBJQHSA-N	249.291	3.129	0	50	BGAA	
Oc1ccc(NCc2cccs2)cc1	250523	RCGVPMFFTDNWMF-UHFFFAOYSA-N	205.282	3.066	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)OCc2ccco2)cc1	396814	BMNYAJBQQQZLJA-UHFFFAOYSA-N	231.251	3.337	0	50	BGAA	
CC[C@H](C)NC(=O)[C@H](C)Sc1ccccc1	450080	WLVDRMQRKPXISS-QWRGUYRKSA-N	237.368	3.082	0	50	BGAA	
Cc1cccc(C)c1OCCCN1CCCC1	2183537	YLOLSXUINNMEAR-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
O=C1[C@H]2CC=CC[C@H]2C[C@H]2CC=CC[C@@H]12	4831134	XARBVALIHBDTBL-MPZDIEGVSA-N	202.297	3.124	0	50	BGAA	
Cc1ccc(SCCNCc2ccco2)cc1	4840949	QQUCTIVIJUJYPX-UHFFFAOYSA-N	247.363	3.470	0	50	BGAA	
COCCCNc1cccc2ccccc12	5319034	VACJVUOWDORTJD-UHFFFAOYSA-N	215.296	3.288	0	50	BGAA	
Cc1cc(C)cc(NC(=O)Nc2cc(C)on2)c1	8707690	VWRFCGFIIUZNTM-UHFFFAOYSA-N	245.282	3.244	0	50	BGAA	
Cc1cccc(NC(=O)Nc2cccnc2)c1C	15952021	ITCOBCCPEGDMTL-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1cccc(C)c1-c1cccc(CO)c1	67803000	RSMBYAMKNAFCBM-UHFFFAOYSA-N	212.292	3.463	0	50	BGAA	
COc1cc(-c2ccc(C=O)cc2)ccc1F	95495654	BMLOQFLLKHLOJK-UHFFFAOYSA-N	230.238	3.314	0	50	BGAA	in-vitro
O=C1CC(c2ccc(Br)cc2F)C1	132326765	JPGAWUMXWGBPJV-UHFFFAOYSA-N	243.075	3.035	0	50	BGAA	
CCCS[C@H]1CC(=O)CCC1(C)C	725361603	MOOOFNXBHKYTML-JTQLQIEISA-N	200.347	3.277	0	50	BGAA	
CCC(=O)[C@H](CC)c1ccc(OC)cc1OC	393636	MFEDPAWDBIPBCL-LLVKDONJSA-N	236.311	3.177	0	50	BGAA	
CC1CCN(C[C@@H](C)C(=O)c2ccccc2)CC1	3684426	WCUNKLPJSIFWCQ-CQSZACIVSA-N	245.366	3.237	0	50	BGAA	
N=C(O)C[C@@H](c1ccccc1)c1ccco1	3906244	CKLQHNBOMYNJCW-NSHDSACASA-N	215.252	3.337	0	50	BGAA	
Cc1ccc(NC(=O)Nc2cccc(C)c2)nc1	6698985	NWAYRMXDSLGEGZ-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
OC1=NC(=S)S/C1=C/c1cccc(F)c1	15933442	BGYGQXZHOBKLTR-VMPITWQZSA-N	239.296	3.155	0	50	BGAA	
Oc1ccc(Oc2ccc(F)cc2)cc1	20391103	KIVFDFJTCRMULF-UHFFFAOYSA-N	204.200	3.324	0	50	BGAA	in-vitro
c1cc(-c2ccc(-c3ccn[nH]3)cc2)ccn1	32520424	HBTIJHVXKVYEKH-UHFFFAOYSA-N	221.263	3.139	0	50	BGAA	
CC(C)(O)C/C=C\Sc1ccccc1	43762124	WNHGQEDLWIPLOK-POHAHGRESA-N	208.326	3.453	0	50	BGAA	
CC1(C)CNc2ccc(Br)cc2O1	84789055	LMUSYROBIBYVFQ-UHFFFAOYSA-N	242.116	3.032	0	50	BGAA	in-vitro
CC(=O)c1ccc2c(c1)[C@@H]1[C@@H]3CC[C@@H]3[C@@H]3[C@@H]2[C@H]31	101046543	RIZPIOIQESKPGJ-LBSJXABJSA-N	224.303	3.356	0	50	BGAA	
CCCC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C	241837474	SKKKLKCFFQGVHX-RNJOBUHISA-N	223.360	3.118	0	50	BGAA	
c1cc(C2CC2)ccc1-c1cnn2c1OCCC2	2325800450	IFUKRMANOJIFGU-UHFFFAOYSA-N	240.306	3.210	0	50	BGAA	
CCCN(CCO)Cc1cccc2ccccc12	278912	TZHJOFQXFSADAD-UHFFFAOYSA-N	243.350	3.044	0	50	BGAA	
CCOc1ncc2ccccc2c1Cl	331319	VZXWTCVKKNGMMC-UHFFFAOYSA-N	207.660	3.287	0	50	BGAA	
COc1ccc(-c2ccc(C(=O)O)cc2)cc1	1514433	FDPKGXQCDURRBM-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	in-vitro
Cc1ccccc1Oc1ccccc1CN	2513069	LRHMRCCAQCASKV-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	in-vitro
CC12CC3(C)CC(C)(C1)CC(C(=O)O)(C2)C3	3895612	DHIIUPVOLLOORM-UHFFFAOYSA-N	222.328	3.458	0	50	BGAA	in-vitro
C/C(=C\c1ccc(Cl)cc1)CC(=O)O	4529007	OSMVNAOFLIHUOS-SOFGYWHQSA-N	210.660	3.218	0	50	BGAA	
Cc1ccc(N)c(C(=O)c2cccc(Cl)c2)c1	4718306	DWKBIUBIASWQMZ-UHFFFAOYSA-N	245.709	3.462	0	50	BGAA	
Cc1ccc(NC(=O)Cc2cccc(C)c2)cc1	6726749	PYRQHIVEQYPOTI-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
C[C@H](CNC(=O)C1CCCC1)c1ccccc1	36395919	AZPJTEIGKPKOCW-GFCCVEGCSA-N	231.339	3.097	0	50	BGAA	
CCOC(=O)[C@@H](C)Sc1ccccc1CC	96024779	MEADZOCFQQGFJL-SNVBAGLBSA-N	238.352	3.293	0	50	BGAA	
Fc1cc2cc(Br)cnc2cc1F	253496165	OKICKXMXHFBARR-UHFFFAOYSA-N	244.038	3.276	0	50	BGAA	
CCC[C@H](C)NC(=O)Nc1ccc2c(c1)COC2	299768103	IWCQEKZWAJCZKK-JTQLQIEISA-N	248.326	3.027	0	50	BGAA	
O=Cc1cscc1OCc1ccccc1	575447797	XOOZRKYVZKNUOW-UHFFFAOYSA-N	218.277	3.140	0	50	BGAA	
CC1=CCC[C@]2(C)CC[C@@](O)(C(C)(C)O)C[C@@H]12	2332918202	PGKALOHOTKMNJR-CFVMTHIKSA-N	238.371	3.035	0	50	BGAA	
Cc1cc(Cl)ccc1OC(=O)c1ccco1	122459	RQFFZYOQEVEYLP-UHFFFAOYSA-N	236.654	3.461	0	50	BGAA	
C/C=C/C(=O)Nc1cccc(C(F)(F)F)c1	292807	YMUJNXBVYSCKFI-DUXPYHPUSA-N	229.201	3.220	0	50	BGAA	
CC(C)(C)c1ccc([C@H]2C[C@H]2C(=O)O)cc1	372161	ANPQFLQUUUWDQU-VXGBXAGGSA-N	218.296	3.172	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)Oc1cccnc1	396438	AYLKFQVAXGBZRK-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
Cc1n[nH]c(C)c1CCCCOc1ccccc1	2880339	YNPAYCXHGKGKPY-UHFFFAOYSA-N	244.338	3.428	0	50	BGAA	
CC(=O)c1cc(OCc2ccccc2)ccc1O	3201322	LAFHMZQSDSXTBN-UHFFFAOYSA-N	242.274	3.174	0	50	BGAA	in-vitro
CC(=O)Oc1ccc2c(c1)C(C)=CC(C)(C)N2	3999135	PDPJYLYRJOHRGS-UHFFFAOYSA-N	231.295	3.219	0	50	BGAA	biogenic
CC(=O)N[C@H]1C(c2ccccc2)=Cc2ccccc21	5480960	DWGBALUGXMXWOZ-QGZVFWFLSA-N	249.313	3.418	0	50	BGAA	
CCc1ccc(OCCCNC(C)(C)C)cc1	5658144	RRVNRCHYRWPAIV-UHFFFAOYSA-N	235.371	3.406	0	50	BGAA	
O=C(O)C[C@@H](c1cccc(Cl)c1)n1cccc1	5764026	VPPORQUVYWUVCY-LBPRGKRZSA-N	249.697	3.206	0	50	BGAA	
COc1ccc(NCc2ccsc2)cc1OC	19908530	YYRGCNWEXASXEU-UHFFFAOYSA-N	249.335	3.377	0	50	BGAA	
CCOc1ccc(C)cc1Br	20077744	XHBWRIJRICMNFL-UHFFFAOYSA-N	215.090	3.156	0	50	BGAA	in-vitro
Fc1cccc(Oc2cncc(Cl)n2)c1	38082311	FIMYUIDWIBADAZ-UHFFFAOYSA-N	224.622	3.061	0	50	BGAA	
COc1cc(F)cc2ccc(Cl)nc12	44137950	CUJLXWMQSIFPSQ-UHFFFAOYSA-N	211.623	3.036	0	50	BGAA	in-vitro
COc1cccc(-c2ccc(F)cn2)c1F	65398129	HYAPQSFHQSIACW-UHFFFAOYSA-N	221.206	3.035	0	50	BGAA	
CC(=O)N1C2=CCCC[C@@]2(C)c2ccccc21	71774197	DNTWQEPDAUHNLM-HNNXBMFYSA-N	227.307	3.379	0	50	BGAA	
COc1cccc(-c2ccc(N)cc2F)c1OC	212936647	OTFUDQSGLGDNAY-UHFFFAOYSA-N	247.269	3.092	0	50	BGAA	
Cn1c(=N)sc2cc(Cl)cc(Cl)c21	217428713	GRYMAASWSOQVPA-UHFFFAOYSA-N	233.123	3.026	0	50	BGAA	
c1cc2ncnc(NC3CCCCCC3)c2cn1	328637213	ASFBJQUTPWDAMJ-UHFFFAOYSA-N	242.326	3.160	0	50	BGAA	
C1CC2(CCO1)CCC(NC[C@H]1CC13CC3)CC2	335304919	UGIHPOGXIWKNLE-CYBMUJFWSA-N	249.398	3.116	0	50	BGAA	
CC(C)c1cc(N2CCC[C@H](C)CC2)ncn1	346829377	JZLOHWUEJNYHOL-LBPRGKRZSA-N	233.359	3.226	0	50	BGAA	
Cc1ncc(CN(C)CCCC2CCCC2)cn1	670469803	YCFJYBWSRKTMDC-UHFFFAOYSA-N	247.386	3.187	0	50	BGAA	
Cc1cc(-c2nnc3n2CC(C)(C)CC3)c(C)o1	1616039046	UMGHVTZZWZCALE-UHFFFAOYSA-N	245.326	3.127	0	50	BGAA	
O=Cc1c(OC(F)F)ccc2ccccc12	332832	KHYFVIYUNAEOHW-UHFFFAOYSA-N	222.190	3.254	0	50	BGAA	in-vitro
c1ccc2c(CSC3=NCCN3)cccc2c1	1994441	VIWWPLJIBJJQAA-UHFFFAOYSA-N	242.347	3.032	0	50	BGAA	
Cc1cccc(CC(=O)Nc2ccccc2)c1	6741441	TZEIJRBSEOHBMM-UHFFFAOYSA-N	225.291	3.176	0	50	BGAA	
CCCc1c(C)c2cc(C)ccc2[nH]c1=O	8607853	DNMURKUHEIAJOH-UHFFFAOYSA-N	215.296	3.097	0	50	BGAA	
CC[C@@H](C)NC(=O)N[C@H](CC)c1ccccc1	13746250	KXWPOOLSPYMSSF-DGCLKSJQSA-N	234.343	3.235	0	50	BGAA	
CCc1ccccc1-c1csc(C(N)=O)c1	67434500	VZOSQMWWSLIFKV-UHFFFAOYSA-N	231.320	3.076	0	50	BGAA	
COc1ccc(-c2cc(Cl)ccc2O)cn1	67654791	KPGFEKIHZCXYRS-UHFFFAOYSA-N	235.670	3.116	0	50	BGAA	
CC[C@@H](c1ccc(F)cc1)C(C)(C)NC	96027461	GKUSMLYUTGPIDQ-LBPRGKRZSA-N	209.308	3.317	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2F)cc1F	97757247	HNSSFQQLISHDAT-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
Cc1ccc(C)c(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)c1	225273122	OPACRQPXNAZIIF-KCQAQPDRSA-N	243.350	3.222	0	50	BGAA	
CC(C)(C)SCCSc1ncc[nH]1	242324446	ZBISYCIQGYNICG-UHFFFAOYSA-N	216.375	3.034	0	50	BGAA	
Cc1cc(C)c(NC(=O)NC2CCCC2)c(C)n1	253424888	LRIIZZBBTIYTFL-UHFFFAOYSA-N	247.342	3.071	0	50	BGAA	
Cc1ccccc1/C=C/C=C/CC[C@H](O)CCO	2332918177	LWAURHRFBFLFCE-LLJNWZPISA-N	246.350	3.088	0	50	BGAA	
Cc1ccccc1Nc1cccc2nonc12	209760	YFVNYLDWWHJUQE-UHFFFAOYSA-N	225.251	3.275	0	50	BGAA	
O=C(O)CC1(c2cccs2)CCCCC1	337229	LHTSRQLXJHHJJP-UHFFFAOYSA-N	224.325	3.425	0	50	BGAA	
COc1ccc(Br)c(C)c1C	404122	WOWNZZYJCUUIFC-UHFFFAOYSA-N	215.090	3.075	0	50	BGAA	biogenic,in-vitro
Cc1ccc(OCCCN2CCCC2)cc1C	2494196	UDCYTQIHZMADOO-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
CCN(CC)CCCOc1cccc(Cl)c1	2885660	LOVZUALCXNWVLS-UHFFFAOYSA-N	241.762	3.451	0	50	BGAA	
COc1ccc(CN2CCCC[C@H]2C)cc1OC	4988659	RWFCBLHNPRDWAQ-GFCCVEGCSA-N	249.354	3.078	0	50	BGAA	
Nc1ccccc1C(=O)NC1CCCCCCC1	5616535	NYLLPEVMDNPMNE-UHFFFAOYSA-N	246.354	3.112	0	50	BGAA	in-vitro
Cc1ccc2nc(-c3ccccc3N)[nH]c2c1	6962472	LRDGQNBZALRXLA-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	in-vitro
CCN(CC)CCN(C)C[C@H](C)c1ccccc1	22027655	OJPKDSRNKXVSGR-HNNXBMFYSA-N	248.414	3.064	0	50	BGAA	
CC[C@@H]1CCCCN1C(=O)OC(C)(C)C	39101692	TZODONUATMTJPI-SNVBAGLBSA-N	213.321	3.186	0	50	BGAA	
CC(C)(C)n1cnc2ccc(F)c(F)c21	74937770	IIINQDFVLFHIGO-UHFFFAOYSA-N	210.227	3.070	0	50	BGAA	in-vitro
CC(C)c1ccc(C=O)cc1Br	147274993	RRCMWLNCKWZOAW-UHFFFAOYSA-N	227.101	3.385	0	50	BGAA	
CCCCN(C)C/C=C/c1ccccc1OC	158160892	DIHCWWPKLUGUBM-CSKARUKUSA-N	233.355	3.440	0	50	BGAA	
C1=C[C@H]2CC[C@H]1C[C@H]2CNCc1ccccc1	402813339	CHYGAXMVHZFWTN-BPUTZDHNSA-N	227.351	3.379	0	50	BGAA	
Cc1cccc(C)c1NC(=O)N1CCC[C@@H]2C[C@H]21	585082921	SOBRSJBXBSGSNQ-CHWSQXEVSA-N	244.338	3.320	0	50	BGAA	
CCc1nc(Cl)c2c3c(sc2n1)CCC3	126591	JAGFUPJHQBNERB-UHFFFAOYSA-N	238.743	3.396	0	50	BGAA	
O=C(O)c1ccc(-c2ccccc2)s1	158686	QGMFBCDNJUZQBZ-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	in-vitro
C[C@@H]1CN=C(Nc2cccc(Cl)c2)S1	340576	IJFKYINDWFJRTB-SSDOTTSWSA-N	226.732	3.243	0	50	BGAA	
CC[C@@H](C)c1ccc(NC(=O)CCC(=O)O)cc1	461554	ZMDBCHPWMLPLGB-SNVBAGLBSA-N	249.310	3.003	0	50	BGAA	
Cc1ccc(CC(=O)Nc2cccc(F)c2)cc1	464594	ROOVCTKHNYEFEK-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
Cc1ccccc1Oc1ccc(CN)cc1	816357	VWZASXKWMZFTRY-UHFFFAOYSA-N	213.280	3.246	0	50	BGAA	in-vitro
CCOc1cccc(-c2ccccc2C(=O)O)c1	2581009	XYOHNGPCYXWZEG-UHFFFAOYSA-N	242.274	3.451	0	50	BGAA	
COc1ccc(-c2ccc(NC(C)=O)cc2)cc1	12379698	DVGUYVDUSBITJS-UHFFFAOYSA-N	241.290	3.321	0	50	BGAA	
CCC[C@H](C(=O)c1ccccc1)N1CCCC1	13682035	YDIIDRWHPFMLGR-CQSZACIVSA-N	231.339	3.134	0	50	BGAA	biogenic,in-vivo
C[C@@H](C(=O)c1ccc(Cl)cc1)N1CCCC1	35021121	ULRSISQFKHWZNP-JTQLQIEISA-N	237.730	3.007	0	50	BGAA	in-vitro
Brc1csc2ncccc12	37868647	KAIWLFPPQNJAHO-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Cc1cccc(C)c1Nc1ncc(C(=O)O)s1	156151770	AEVXWQMDSSHNEG-UHFFFAOYSA-N	248.307	3.202	0	50	BGAA	
COc1ccc(C(F)(F)C(F)(F)F)cc1F	725378380	LIMNOGNVTYVPNK-UHFFFAOYSA-N	244.134	3.488	0	50	BGAA	
C[C@H](Oc1ccccc1)C(=O)Nc1ccccc1	30510	HBWNEBUCCLAFBK-LBPRGKRZSA-N	241.290	3.093	0	50	BGAA	
Cc1cc(C)nc(NC(=O)c2ccccc2F)c1	290671	KIEPWJVGYXWAHR-UHFFFAOYSA-N	244.269	3.090	0	50	BGAA	
C[C@H](NC(=O)NC1CCCCC1)c1ccccc1	369587	LAWBJZZKFIEJKK-LBPRGKRZSA-N	246.354	3.380	0	50	BGAA	
Brc1ccc(Br)cc1	388500	SWJPEBQEEAHIGZ-UHFFFAOYSA-N	235.906	3.212	0	50	BGAA	biogenic,in-vitro
C[C@H](Cc1ccc(Cl)cc1)NCC1CC1	395183	IFPHKNRVEGIFBA-SNVBAGLBSA-N	223.747	3.271	0	50	BGAA	
Clc1ccc(-c2nc3ccncc3[nH]2)cc1	440275	RBDQHKDYQDAOJG-UHFFFAOYSA-N	229.670	3.278	0	50	BGAA	
Cc1ccccc1OCCCCn1ccnc1	2496719	RIXJNGKHJALJIQ-UHFFFAOYSA-N	230.311	3.051	0	50	BGAA	
Cc1ccc(Cl)cc1Br	2528196	CSUUXPHPCXHYGY-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	biogenic,in-vitro
O=[N+]([O-])/C=C/c1cccc(Cl)c1Cl	2565197	QDRLNSJTMBNERI-SNAWJCMRSA-N	218.039	3.241	0	50	BGAA	in-vitro
CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)cc1	13745881	ANRBQMHVGXOLNO-NEPJUHHUSA-N	234.343	3.154	0	50	BGAA	
Cc1ccsc1-c1nc2c(cnn2C(C)C)[nH]1	19792852	BWDBZZLLWLBDJF-UHFFFAOYSA-N	246.339	3.377	0	50	BGAA	
CCOC(=O)c1scc(-c2ccccc2)c1N	34410243	MPAJUMNFVHZVKL-UHFFFAOYSA-N	247.319	3.174	0	50	BGAA	
Clc1cc(Cl)cc(-c2ncccn2)c1	67983082	OSXAQLXGRVCLGG-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
Brc1ccnc2ccsc12	85210597	NLHODWKWTMTFEN-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
Cc1nn(C(C)C)cc1-c1cccc2c1CCN2	168962375	ZUPGMCYWJLSVIU-UHFFFAOYSA-N	241.338	3.407	0	50	BGAA	
Fc1c(Br)ccnc1C(F)(F)F	238554771	RJGYBUAZRNKVPT-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
C[C@@]12CC3CC(OC[C@H]4CO4)(C1)C[C@](C)(C3)C2	253484983	LCXYKJXKQWXCTH-VCNCWYJPSA-N	236.355	3.151	0	50	BGAA	
CC(=O)Nc1ccc(C(F)(F)F)cc1Cl	108826	QRMZQPODCUCPQD-UHFFFAOYSA-N	237.608	3.317	0	50	BGAA	
COc1ccc(CNCc2cccc(C)c2)cc1	172228	KXRKPGJCQZNRGF-UHFFFAOYSA-N	241.334	3.293	0	50	BGAA	biogenic
CCSc1sc(CC)cc1C(=O)OC	281129	HNDNPJQHIMUVAW-UHFFFAOYSA-N	230.354	3.209	0	50	BGAA	
CCc1ccc2c(c1)c1c3n2CCN[C@@H]3CCC1	281727	LTICPROUSFEPLJ-CQSZACIVSA-N	240.350	3.184	0	50	BGAA	
CCC(C)(C)C(=O)Nc1ccc(C(C)=O)cc1	372605	OQXCGVSKNSGIDV-UHFFFAOYSA-N	233.311	3.264	0	50	BGAA	
CC(=O)c1nc(Nc2ccccc2)sc1C	3190302	HJKIPLVIICSANU-UHFFFAOYSA-N	232.308	3.398	0	50	BGAA	
COc1cccc(-c2ccc(C=O)s2)c1	4312910	DLXLICDIIBNILO-UHFFFAOYSA-N	218.277	3.236	0	50	BGAA	
Cc1ccc(OCCN2CCCCCC2)cc1	4978466	HVKUEIGJRZEHRS-UHFFFAOYSA-N	233.355	3.250	0	50	BGAA	
Cc1ccnc(-c2nccc(C)c2C)c1C	15782047	TZUWXIVMJCCOEQ-UHFFFAOYSA-N	212.296	3.377	0	50	BGAA	
O=C(O)/C=C/COc1ccc(Cl)cc1Cl	39281469	GYUCXZMHZFVKJY-OWOJBTEDSA-N	247.077	3.013	0	50	BGAA	
Sc1c(Cl)cccc1Br	67796652	AOARFDRBHAFFOX-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	in-vitro
Clc1ccc(-c2cncnc2)cc1Cl	67921102	KIIBSRQAIUVYRL-UHFFFAOYSA-N	225.078	3.450	0	50	BGAA	
c1ccc([C@H]2C[C@@H]3CCCCN3C2)cc1	96027050	JKECMGSANFSNJV-KBPBESRZSA-N	201.313	3.028	0	50	BGAA	
C[C@@H](CO)N[C@@H]1CCCC[C@H]1C1=CCCCC1	127560859	DWZCEGNIGTVBDP-AEGPPILISA-N	237.387	3.016	0	50	BGAA	
Cc1ccc2c(c1)[C@H](Nc1cnn(C)c1)[C@H](C)C2	157340732	FIBCXDZBYPFGQV-IAQYHMDHSA-N	241.338	3.074	0	50	BGAA	
Fc1ccc2c(c1)OCCN2Cc1ccsc1	170606985	PGORYEQNENNIAJ-UHFFFAOYSA-N	249.310	3.286	0	50	BGAA	
CCN(CC)P([C]1[CH][CH][CH][CH]1)N(CC)CC	263621377	UZRHEQUNDNBHNS-UHFFFAOYSA-N	239.323	3.345	0	50	BGAA	
CCC(=O)Nc1c(Cl)nc(C)c(Cl)c1C	54137	FARFNUWTTHCESB-UHFFFAOYSA-N	247.125	3.354	0	50	BGAA	
O=C(NC1CCCCC1)Oc1ccccc1	135163	GJQFJYAVSJYAOW-UHFFFAOYSA-N	219.284	3.108	0	50	BGAA	
C[C@@H](CO)Cc1ccc(C(C)(C)C)cc1	1571255	SJMDLCVBSNYMMJ-LLVKDONJSA-N	206.329	3.155	0	50	BGAA	
Cc1ccc(NC(=O)c2ccc(C)s2)nc1	9376513	ZLNOJKMZNWEYSI-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
C[C@@H](CC(=O)O)c1ccc(Br)cc1	11628748	FBASDSAHBADZFQ-ZETCQYMHSA-N	243.100	3.027	0	50	BGAA	
O=C1Nc2ccccc2[C@@H]1Cc1ccc(F)cc1	15017135	MOKMYOLLKFQNBE-ZDUSSCGKSA-N	241.265	3.104	0	50	BGAA	
Cc1cc(Br)cc2cccnc12	65337503	RYYKJLRAFMKRSC-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Cc1nccc(Oc2ccc(Cl)c(F)c2)n1	120628593	DJDUMUJIKXDZMY-UHFFFAOYSA-N	238.649	3.370	0	50	BGAA	
C[C@H]1C[C@@H](C)C[C@@H]([C@H]2C[C@H]3CC[C@H]2C3)[C@H]1O	245329028	WXWPEVYZHHMRRH-OAXDCTPSSA-N	222.372	3.466	0	50	BGAA	
CCOC(=O)/C=C(/C)c1ccc(F)cc1C	757188957	DYLWMIJDEOCMOA-NTMALXAHSA-N	222.259	3.101	0	50	BGAA	
Cc1cncc(N[C@H]2CCOC3(CCCC3)C2)c1	846753630	XJIBRRWEEKVOOS-ZDUSSCGKSA-N	246.354	3.294	0	50	BGAA	
C1=C[C@@H](n2ccnc2-c2ccncc2)CCC1	1875248280	HSTJSSOTBBKYBB-CYBMUJFWSA-N	225.295	3.226	0	50	BGAA	
CCC1CCC(NCc2ccncc2)CC1	216021	BZCSCJKALNYCBG-UHFFFAOYSA-N	218.344	3.140	0	50	BGAA	
Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	295268	KZUCBEYDRUCBCS-UHFFFAOYSA-N	247.301	3.393	0	50	BGAA	biogenic,in-vivo
c1ccc([C@@H]2COC3(CCCC3)O2)cc1	402197	WFYWECISNAABSO-LBPRGKRZSA-N	204.269	3.045	0	50	BGAA	
CCN(CC)C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	1597851	NGDCMVHOVGGVIX-VXGBXAGGSA-N	223.360	3.093	0	50	BGAA	
Cc1ccc(OCCCCN2CCCC2)cc1	2497065	NTENYUBRKABRBW-UHFFFAOYSA-N	233.355	3.250	0	50	BGAA	
CCn1c([C@@H]2C[C@H]2c2ccccc2)n[nH]c1=S	2804177	WZVZZHCETNJYMA-WDEREUQCSA-N	245.351	3.232	0	50	BGAA	
CCCC(=O)Nc1cccc(NC(=O)CCC)c1	6039285	UKCUVVYTEDWHTM-UHFFFAOYSA-N	248.326	3.164	0	50	BGAA	
Cc1cccc(CNC(=O)c2cccc(C)c2)c1	10447528	IWTWOBQRYAOYPX-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
N[C@H]1CCCC[C@H]1c1c[nH]c2ccccc12	37632875	XNYGRAFWZLKHBH-GWCFXTLKSA-N	214.312	3.153	0	50	BGAA	in-vitro
CCCCOC(=O)N1CCC[C@@H]1c1ccccn1	72165888	GKKGGNWTECRFEC-CYBMUJFWSA-N	248.326	3.155	0	50	BGAA	
Nc1cccc(-c2csc(C(F)(F)F)n2)c1	91696010	DIQVPBFBPDKWMV-UHFFFAOYSA-N	244.241	3.411	0	50	BGAA	
c1ccc(CCN[C@H]2C[C@H]3CC[C@H]2C3)cc1	100939283	UOJWJKSWEPSVQD-KKUMJFAQSA-N	215.340	3.007	0	50	BGAA	
Oc1c(Br)cccc1C1CC1	117877382	WHEZUXLUMWCJAP-UHFFFAOYSA-N	213.074	3.032	0	50	BGAA	
Fc1ccnc(C(F)(F)F)c1Br	238573232	STJIKZWXGBNCJM-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CC[C@@H]1c2ccsc2CCN1C(=O)[C@@H]1C[C@H]1C	252443489	ZKEIETRVHMOWOV-YUSALJHKSA-N	249.379	3.240	0	50	BGAA	
O=Cc1c(OC(F)F)ccc(Cl)c1Cl	263625372	ZHINJTNPXKGAPU-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
COc1ncc(C2=CCCC(C)(C)C2)cn1	725246083	RANUWMLJKSABJU-UHFFFAOYSA-N	218.300	3.079	0	50	BGAA	
Cc1ccc2n[nH]cc2c1C1C[C@H](C)N[C@@H](C)C1	757216230	ZEVBEDOHUMLBSF-QWRGUYRKSA-N	243.354	3.115	0	50	BGAA	
F[C@@H](OC(F)(F)F)c1nc2ccccc2[nH]1	49147	WODXDGLRIWEHDA-ZETCQYMHSA-N	234.152	3.067	0	50	BGAA	
CCOc1ccc2c(CC)cc(=O)oc2c1C	455187	KIMODVBGPNLQSN-UHFFFAOYSA-N	232.279	3.063	0	50	BGAA	
C[C@@H](CCc1ccccc1)NC(=O)c1ccco1	4141829	RBIMWMYKQANNSX-LBPRGKRZSA-N	243.306	3.031	0	50	BGAA	
CCc1ccc(OCCCN(CC)CC)cc1	5477320	HHFHKCUQTBJPMF-UHFFFAOYSA-N	235.371	3.360	0	50	BGAA	
Cc1ccc2nc(Br)sc2c1	11920188	YZIAUJNTXKPDHI-UHFFFAOYSA-N	228.114	3.367	0	50	BGAA	in-vitro
Oc1ccc(-c2ccncc2)cc1-c1ccno1	20599547	HRXMVFLLEACHQH-UHFFFAOYSA-N	238.246	3.109	0	50	BGAA	
Cc1cc(S)ccc1Br	34623074	LZJWLHDEWPQTPL-UHFFFAOYSA-N	203.104	3.046	0	50	BGAA	in-vitro
Cc1cc(Br)c(Cl)c(C)c1N	40571843	XALPPTKYIOVHII-UHFFFAOYSA-N	234.524	3.302	0	50	BGAA	
CC(=O)c1ccc(Br)c(Cl)c1	77042732	GODIGXNJTHCLHB-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
CO/C=C/[C@]12CC[C@H](C[C@@]1(O)C1=CCCC1)C2	102319046	UOAHRCQGLQLEQZ-FVFDXKESSA-N	234.339	3.178	0	50	BGAA	
COc1cc(F)ccc1-c1nc(C)nc(C)c1C	215076827	DSOJERAEGJOFEC-UHFFFAOYSA-N	246.285	3.217	0	50	BGAA	
Oc1ccc2sccc2c1Br	216382435	OEKMJYUGODWBFH-UHFFFAOYSA-N	229.098	3.369	0	50	BGAA	
Cc1ccc(-c2ccc(C)[n+]([O-])c2)c(Cl)c1	1875340317	VMHYOQNMQVYHPM-UHFFFAOYSA-N	233.698	3.257	0	50	BGAA	
O=Cc1ccc(-c2cccc(Cl)c2)o1	158143	FIGLPGGFAIZKFQ-UHFFFAOYSA-N	206.628	3.413	0	50	BGAA	in-vitro
O=C(O)[C@H](Cc1ccc(F)cc1)c1ccccc1	299127	LVJVEADPGHXUKQ-CQSZACIVSA-N	244.265	3.237	0	50	BGAA	
Cc1ccc(NC(=O)Nc2cccc(F)c2)nc1	319199	IVQFDKONCZDYQJ-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
CCC(CC)C(=O)N[C@H](C)c1ccccc1	441724	DAMULJWICALWNG-LLVKDONJSA-N	219.328	3.300	0	50	BGAA	
CCN(CC)CCCCOc1ccccc1	2493490	DIWLMMWVOYYSPY-UHFFFAOYSA-N	221.344	3.187	0	50	BGAA	
C[C@H]1CCCCN1c1ccc(N)cc1Cl	8701183	OVCXMFMOMFMFAC-VIFPVBQESA-N	224.735	3.301	0	50	BGAA	in-vitro
CCc1ccc2[nH]c3c(c2c1)CCCC3=O	34407717	MFDAJCCYTKYPBV-UHFFFAOYSA-N	213.280	3.249	0	50	BGAA	
Cc1ccccc1-c1cc(F)cc(C(=O)O)c1	65349452	BMSGVSRYBFYKKS-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Cc1cccc(N2CC(=O)Nc3ccccc32)c1	259283884	KPEADXYYTIVQIS-UHFFFAOYSA-N	238.290	3.085	0	50	BGAA	
Cc1nc(-c2cccc(CC(=O)O)c2)c(C)s1	1875250976	HSTDESUGSWJDQG-UHFFFAOYSA-N	247.319	3.054	0	50	BGAA	
CC(C)OC(=O)Nc1cccc(Cl)c1	57368	CWJSHJJYOPWUGX-UHFFFAOYSA-N	213.664	3.297	0	50	BGAA	biogenic,investigational
O=C(NC1CCCCC1)c1ccccc1Cl	249033	QMRTZPNVQIUAHF-UHFFFAOYSA-N	237.730	3.403	0	50	BGAA	
CCc1nc2c(C)cc(C)cc2c(N)c1C	5092815	JRMOIHUYMRECFJ-UHFFFAOYSA-N	214.312	3.305	0	50	BGAA	
Cc1cc2[nH]c(C(=O)O)cc2c2ccccc12	6658219	RDLGRUWIAZIABN-UHFFFAOYSA-N	225.247	3.328	0	50	BGAA	in-vitro
Cc1cc(C)c(NC(=O)c2cc(C)on2)c(C)c1	9387238	WZFHIYUUCGUYAR-UHFFFAOYSA-N	244.294	3.161	0	50	BGAA	
CCC(CC)C(=O)Nc1cc(C(C)(C)C)on1	16602935	SUVDIDWERFOZSQ-UHFFFAOYSA-N	238.331	3.347	0	50	BGAA	
Cc1ccc([C@@H](CN)c2c[nH]c3ccccc23)o1	16806726	WWCXHACKCXBIQX-LBPRGKRZSA-N	240.306	3.160	0	50	BGAA	
C/C=C1/C(=C(C)C)C(=O)N[C@@H]1c1ccccc1	43761653	UCCKXRMLADKZOL-MBNGJLNHSA-N	227.307	3.140	0	50	BGAA	
C/C=C/c1c(F)c(F)c(F)c(F)c1F	59228410	ARAOLTCZMIFYMK-NSCUHMNNSA-N	208.129	3.415	0	50	BGAA	in-vitro
OC1(c2ccc(Br)cc2)CCCC1	59825894	KXEZRQJDHKLSHF-UHFFFAOYSA-N	241.128	3.211	0	50	BGAA	
Cc1cccc(Oc2ccccc2O)c1	78040462	FNGJTDGPDNZUSQ-UHFFFAOYSA-N	200.237	3.493	0	50	BGAA	
CN(C)c1cccc(NC(=O)OC(C)(C)C)c1	169748249	XYXNWDMQJOHFOJ-UHFFFAOYSA-N	236.315	3.100	0	50	BGAA	
CSCC(C)(C)C(=O)OC[C@@H]1CC=CCC1	225688735	UUQRDGAOJXKGSH-LLVKDONJSA-N	242.384	3.275	0	50	BGAA	
COc1cccc(C2(N)CCC(F)(F)CC2)c1	255190396	WZWVGHJNWXRUIZ-UHFFFAOYSA-N	241.281	3.059	0	50	BGAA	
O=C(O)/C=C/c1cc(Cl)c(F)cc1Cl	263623656	JJSZTZSZIXEJIK-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
CC(C)[C@H]1CCC(=O)C[C@@H]1OC(C)(C)C	725359556	DMILFRQBAGRILC-NEPJUHHUSA-N	212.333	3.195	0	50	BGAA	
Cc1ccc(C(=O)N2CCCCC2)c(Cl)c1	458430	NBABRKIUNIGYGB-UHFFFAOYSA-N	237.730	3.275	0	50	BGAA	
O=C1c2ccccc2C[C@@H]1c1ccccc1	1557410	OCLCRYNZYRSURW-CQSZACIVSA-N	208.260	3.209	0	50	BGAA	
CC[C@H](NC(=O)C1CCCC1)c1ccccc1	2103103	HJRCYAPAZFWLNH-AWEZNQCLSA-N	231.339	3.444	0	50	BGAA	
Sc1ncc(-c2cccc(Cl)c2)cn1	5763055	CQVHTUXTGDASPF-UHFFFAOYSA-N	222.700	3.086	0	50	BGAA	
Cc1cc(Br)c2cc[nH]c2c1	14983295	SNVJZMYSWAVFCK-UHFFFAOYSA-N	210.074	3.239	0	50	BGAA	in-vitro
Cc1cccc([C@@H](N)c2cccs2)c1	19093199	PKJLLSNXRMTERV-GFCCVEGCSA-N	203.310	3.105	0	50	BGAA	
CCOC(=O)c1cccc(C(F)(F)F)c1F	44200367	BEBIBPVEZYVTSW-UHFFFAOYSA-N	236.164	3.021	0	50	BGAA	
Cc1ccc([C@@H](C)CCN(C)Cc2ccon2)o1	97425512	ZVSWVUHVGCBGKT-NSHDSACASA-N	248.326	3.202	0	50	BGAA	
Cc1ccc(OC(=O)Nc2ccncc2)cc1	263624881	UWLVBOGPFSFAFS-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
Cc1cnccc1CN(C)[C@H]1CCC(C)(C)C1	572471549	KYVPYHSHLSNZFC-AWEZNQCLSA-N	232.371	3.401	0	50	BGAA	
O=C(c1ccc(-c2cncc(O)c2)cc1)C1CC1	1875245553	FJEAEQWSBALDHO-UHFFFAOYSA-N	239.274	3.047	0	50	BGAA	
C=CC(=O)N(Cc1sccc1C)C1CC(C)C1	1875381970	MLYPSLXGROABNP-UHFFFAOYSA-N	249.379	3.370	0	50	BGAA	
CC[C@@H](c1ccccc1)[C@@H](C)OC(C)=O	390804	SYIRNRZUHYNSKR-ZWNOBZJWSA-N	206.285	3.132	0	50	BGAA	
Cc1cccnc1NC(=O)c1ccccc1Cl	395868	RNCBXWHIJVKATD-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
CCC[C@H](C)C(=O)N(C)c1ccccc1	443792	PEHWUOBYCHFPLK-NSHDSACASA-N	205.301	3.086	0	50	BGAA	
Cc1ccccc1-c1noc(-c2cccnc2)n1	1068104	AOKMDMGBLJTZGR-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
Cc1ccccc1NC(=O)N1CCCC[C@H]1C	6703536	FIIGFUWTOCABFE-GFCCVEGCSA-N	232.327	3.401	0	50	BGAA	
Cc1ccccc1CC(=O)Nc1ccccc1C	6727152	VTRUCYDBAMHHEY-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
Cc1cc(C(=O)Nc2ncc(C)s2)cs1	13329779	GNGQVVGYYQCUQA-UHFFFAOYSA-N	238.337	3.074	0	50	BGAA	
CC1=NN(C(=S)Nc2ccccc2)C(C)(C)C1	13556240	YMKFBTYWUVCRKR-UHFFFAOYSA-N	247.367	3.244	0	50	BGAA	biogenic
C[C@H](Sc1ccccn1)c1nc(C2CC2)no1	20668132	ZJHHVIBKMGDVPU-QMMMGPOBSA-N	247.323	3.195	0	50	BGAA	
CC(C)(C)c1ccc(Br)c(N)c1	36532889	MFHJEGCTVQZAGP-UHFFFAOYSA-N	228.133	3.329	0	50	BGAA	in-vitro
Cc1ccc([C@@H](C)NC(=O)C(C)(C)C)cc1	45363486	CJTIJYJPJJAEER-LLVKDONJSA-N	219.328	3.218	0	50	BGAA	
CC(C(=O)c1ccccc1)C(=O)c1ccccc1	100084065	ONGBXISBKSVVFS-UHFFFAOYSA-N	238.286	3.388	0	50	BGAA	
CSC(=O)NC12CC3C[C@@H](C1)C(C)[C@@H](C3)C2	103521894	ALNZIGSLQRHLHZ-VLRZJISNSA-N	239.384	3.274	0	50	BGAA	
Oc1ccc(Cl)cc1N1CCCCC1	261493608	FUPWZJQLWXNVHA-UHFFFAOYSA-N	211.692	3.036	0	50	BGAA	
COC(=O)c1cc(C)c(Cl)cc1Cl	263623668	JNVKVPLBWMLHPY-UHFFFAOYSA-N	219.067	3.088	0	50	BGAA	
Fc1cc(Br)cc(S)c1F	667364244	RTJRESBBFMSVRP-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
COc1ccc(N)c2c1C(C)(C)C[C@@H]2C	669374661	MBDLZXFKVFIHTC-QMMMGPOBSA-N	205.301	3.062	0	50	BGAA	
CCCn1nccc1Nc1ccc(C)c(CC)n1	1940198439	SRLXUWCJUBNUDC-UHFFFAOYSA-N	244.342	3.303	0	50	BGAA	
Cc1cc(C)n(-c2nc3ccccc3s2)n1	51941	QIVHQZNEFYWQJH-UHFFFAOYSA-N	229.308	3.099	0	50	BGAA	
CC[C@H](C(=O)Nc1cc(C)on1)c1ccccc1	116289	ZQZFNHBSPMVTEE-LBPRGKRZSA-N	244.294	3.115	0	50	BGAA	
O=C(Nc1ccc2ccccc2c1)C(F)(F)F	1724506	LBQZDNKXORGQAD-UHFFFAOYSA-N	239.196	3.341	0	50	BGAA	
Nc1nccc(-c2ccc(Cl)cc2Cl)n1	2785167	IIQPBSILLIMQBY-UHFFFAOYSA-N	240.093	3.033	0	50	BGAA	
Cc1ccc(OC(=O)c2ccccc2F)cc1	12137951	PDIQODMHZQXKJO-UHFFFAOYSA-N	230.238	3.353	0	50	BGAA	
CSc1cccc(NC(=O)NCC(C)C)c1	13320059	FZXBKFWEOTUMAS-UHFFFAOYSA-N	238.356	3.186	0	50	BGAA	
C[C@H]1CCC[C@@H](C)N1C(=O)/C=C/c1ccccc1	16310462	VTBRAQMXYIIONS-FJWSKDNQSA-N	243.350	3.489	0	50	BGAA	
CC(C)C(NC(=O)c1cccc(F)c1)C(C)C	72117444	SEBFNCCIURCYGY-UHFFFAOYSA-N	237.318	3.236	0	50	BGAA	
CCCC(=O)Nc1cccc(Cl)c1COC	123556372	HVPZYTOWTBLCRQ-UHFFFAOYSA-N	241.718	3.225	0	50	BGAA	
CSCC(C)(C)C(=O)OC[C@H]1CC=CCC1	225688710	UUQRDGAOJXKGSH-NSHDSACASA-N	242.384	3.275	0	50	BGAA	
C[C@H]1CCN(c2ncc(C(F)(F)F)s2)C1	276959588	WJWXKPCDDHLMKI-LURJTMIESA-N	236.262	3.008	0	50	BGAA	
CN(C)Cc1csc(-c2nccn2C2CC2)c1	1875247317	ZRROGOLGMPUULR-UHFFFAOYSA-N	247.367	3.008	0	50	BGAA	
Fc1ccc(-c2cnc3ccccc3n2)cc1	170715	NSKAVCQOVDGECI-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
Cc1ccc(COC(=O)c2ccccc2)s1	405267	OYCPSLZIFRQTQO-UHFFFAOYSA-N	232.304	3.414	0	50	BGAA	
CCCCNCCCOc1ccc(C)c(C)c1	16671145	HMIKGRZGPUBLJE-UHFFFAOYSA-N	235.371	3.462	0	50	BGAA	
COc1cccc(CCn2ccnc2C(C)C)c1	67934458	HCHNCIBZFQRKBR-UHFFFAOYSA-N	244.338	3.258	0	50	BGAA	
Cc1cncc2ccc(Br)cc12	95628528	DYSMGDOQCLUNMD-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
COc1ccc(CCN[C@H]2C[C@H]3CC[C@H]2C3)cc1	101831882	CQDHZRSBKWNOFL-DZKIICNBSA-N	245.366	3.016	0	50	BGAA	
COc1cc(OCc2ccccc2)cc(Cl)n1	306770276	ATPJSPSCURMIFV-UHFFFAOYSA-N	249.697	3.323	0	50	BGAA	
Cc1cc(C=O)ccc1-c1cccc(C(=O)O)c1	725270976	WLUDKGAOBFPWGR-UHFFFAOYSA-N	240.258	3.173	0	50	BGAA	
CC(C)SCC(=O)N[C@H](C)C1=CCCCC1	827989618	CTAPCEUGVFDBEM-LLVKDONJSA-N	241.400	3.133	0	50	BGAA	
C[C@H](c1ccncc1)N(C)C(=O)CC1=CCCC1	1857688707	XQHYXWLCPQNQOD-GFCCVEGCSA-N	244.338	3.101	0	50	BGAA	
CC(=O)c1sc(-c2ccccc2)nc1C	109861	RXSKZUOBXJWMHY-UHFFFAOYSA-N	217.293	3.321	0	50	BGAA	biogenic,in-vitro
CC(=O)n1ccc2cc(Br)ccc21	2561204	BOMKWHSZGCMFEG-UHFFFAOYSA-N	238.084	3.064	0	50	BGAA	
CC(C)(C)c1ccc(CCC(=O)O)cc1	4206065	BNJYANVQFVSYEK-UHFFFAOYSA-N	206.285	3.001	0	50	BGAA	in-vitro
Cc1cc(Br)c(C)c(C)c1O	11949650	CNZUMQRUUPCHJR-UHFFFAOYSA-N	215.090	3.080	0	50	BGAA	
CCCc1ccc(C(=O)Nc2cc(C)on2)cc1	13745868	LKFCWVHNVPMCBG-UHFFFAOYSA-N	244.294	3.188	0	50	BGAA	
N[C@@H]1CCCC[C@@H]1c1c[nH]c2ccccc12	37632881	XNYGRAFWZLKHBH-ZWNOBZJWSA-N	214.312	3.153	0	50	BGAA	in-vitro
CC(C)=CC[C@@](C)(CO)c1ccccc1	43214785	ZIIUMKBETGSXRY-AWEZNQCLSA-N	204.313	3.293	0	50	BGAA	
Clc1ccc2nc(-c3cc[nH]n3)sc2c1	67820897	GKAOHFFLLFZOMR-UHFFFAOYSA-N	235.699	3.340	0	50	BGAA	
CN(C)[C@@H](C(=O)c1ccccc1)c1ccccc1	95860022	FFXYYGZTOUQTBO-OAHLLOKOSA-N	239.318	3.172	0	50	BGAA	
CN1CC[C@H](c2ccc3ccccc3c2)C1	96026473	CDRNZYNVQDYGHI-HNNXBMFYSA-N	211.308	3.259	0	50	BGAA	
CCCN1CCCC[C@@H]1Cc1ccccc1	96026983	ZNFUQCFPEKQPHG-OAHLLOKOSA-N	217.356	3.494	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1CCC[C@@H](C)N1	757209863	GNTMOMKYUKRPKQ-MFKMUULPSA-N	229.327	3.074	0	50	BGAA	
O=Cc1cccc([C@@H]2CC(F)(F)C2(F)F)c1	958624235	WZVHSCDTMZRWQJ-VIFPVBQESA-N	232.176	3.257	0	50	BGAA	
CCc1ccccc1-c1nccn1[C@H]1CCOC1	1857740078	GWWAMUJPUVYMIO-ZDUSSCGKSA-N	242.322	3.074	0	50	BGAA	
Cc1ccc2nc(Cl)c(C=O)cc2c1	58232	FSLNYYZJXMGKHK-UHFFFAOYSA-N	205.644	3.009	0	50	BGAA	
O=C(O)Cc1cccc(Oc2ccccc2)c1	157001	LEMRHTTWKDVQEI-UHFFFAOYSA-N	228.247	3.106	0	50	BGAA	in-vitro
Cc1ccccc1-c1nc2ccccc2c(=O)o1	322454	IJTYJLSBKKTERF-UHFFFAOYSA-N	237.258	3.163	0	50	BGAA	
Cc1ccc([C@H](O)c2ccc(F)cc2)cc1	4255957	RUPDLRIDZKCKHV-AWEZNQCLSA-N	216.255	3.216	0	50	BGAA	
COc1cccc(-c2cc(C(=O)O)ccc2F)c1	32003252	BBTQVQXPEYUIRD-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
Clc1cccc(OCC[C@H]2CCCNC2)c1	38580680	IILDPWLLLDABKQ-LLVKDONJSA-N	239.746	3.109	0	50	BGAA	
Cc1cc(Cl)nc(C)c1Br	84308467	POWYUKKERVLNDN-UHFFFAOYSA-N	220.497	3.114	0	50	BGAA	
C[C@@H](Cc1ccccc1)N[C@@H]1C[C@H]2CC[C@H]1C2	105194548	HKLJAIPTHOKCPY-QCEMKRCNSA-N	229.367	3.396	0	50	BGAA	
Fc1ccc(OC(F)F)c(C(F)(F)F)c1	263623824	LBCTWYAABLHGSJ-UHFFFAOYSA-N	230.107	3.446	0	50	BGAA	
COc1cccc(-c2ccnn2C(C)C)c1OC	426531886	YWLJZQQRIXQDSE-UHFFFAOYSA-N	246.310	3.148	0	50	BGAA	
Cc1[nH]ccc1-c1nc(C(C)C)nn1C(C)(C)C	822279817	VDNQJOPZHCESSP-UHFFFAOYSA-N	246.358	3.460	0	50	BGAA	
CCC(CC)C(=O)Nc1ccc(NC(C)=O)cc1	335512	SDWZNZASYQTMSV-UHFFFAOYSA-N	248.326	3.020	0	50	BGAA	
Cc1ccc(NC(=O)c2ccc(C)o2)cc1	355022	GCMVXRLAZDAGHV-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
CCCCc1ccc2[nH]cc(CCN)c2c1	1787658	LEVMBRDBNSGBQA-UHFFFAOYSA-N	216.328	3.012	0	50	BGAA	
C[C@H]1CCCC[C@@H]1NCc1ccc2c(c1)OCO2	5005403	PQENMMWEJCXONM-AAEUAGOBSA-N	247.338	3.084	0	50	BGAA	
CC[C@H](C(=O)n1nc(C)cc1C)c1ccccc1	13324039	FMIHLADQOGYEFI-AWEZNQCLSA-N	242.322	3.334	0	50	BGAA	
c1ccc(Nc2nccc(-c3ccncc3)n2)cc1	26654647	NBBWMULFRHNJIO-UHFFFAOYSA-N	248.289	3.282	0	50	BGAA	
CSc1nc(Cl)c2ccccc2n1	34619692	TUXSOCFQUJMNEG-UHFFFAOYSA-N	210.689	3.005	0	50	BGAA	in-vitro
CCCC(=O)Oc1ccc(C(F)(F)F)cc1	40448591	IDGYDYQFJMGMOV-UHFFFAOYSA-N	232.201	3.411	0	50	BGAA	
Cc1cc(Nc2ccc(Cl)cc2C)nc(N)n1	72437465	REMZIOVPCUQKMO-UHFFFAOYSA-N	248.717	3.073	0	50	BGAA	
C[C@H](N)c1ccc(O)c(-c2ccccc2)c1	258933521	QVFLKCSUBFJVKO-JTQLQIEISA-N	213.280	3.079	0	50	BGAA	
O=C(N[C@@H]1CCCCC12CCCC2)C1CC1	335570549	FBFJZQXVKONLCN-GFCCVEGCSA-N	221.344	3.016	0	50	BGAA	
Cc1cccc(C)c1NC(=O)Cc1ccccc1	42757	AVVBLJISFRHRHF-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
O=Cc1cccc(OCc2ccccc2F)c1	280530	LTELQZWKXZXVDU-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	
Cc1nc2ccccc2n1CCC(C)C	501414	IHPBNESJNSISME-UHFFFAOYSA-N	202.301	3.391	0	50	BGAA	
Clc1nnc(Cl)c(Cl)c1Cl	967266	XTKMAPVHLBPKPE-UHFFFAOYSA-N	217.870	3.090	0	50	BGAA	in-vitro
CC(=O)c1ccc(OCc2ccccc2)cc1O	1748826	AGQNLHOTLJFJCG-UHFFFAOYSA-N	242.274	3.174	0	50	BGAA	in-vitro
COC(C)(C)CCC[C@@H](C)C(=O)OC(C)C	2495655	MAJLFFSJNUGTPT-LLVKDONJSA-N	230.348	3.169	0	50	BGAA	
CCN(CC)C(=O)c1cc2ccccc2cc1O	2879919	GCQMKOMJMKLPFZ-UHFFFAOYSA-N	243.306	3.027	0	50	BGAA	
Fc1ccc(-c2cc(Br)no2)cc1	4198779	PZNNZGICSJRAMW-UHFFFAOYSA-N	242.047	3.243	0	50	BGAA	in-vitro
CCc1ccc(OCCN2CCC[C@H](C)C2)cc1	4906845	DZRINMOKKFJMJP-AWEZNQCLSA-N	247.382	3.360	0	50	BGAA	
Cc1cc(C)c(C)c(OCCN2CCCCC2)c1	4989982	HTVDVHDUZPRZHQ-UHFFFAOYSA-N	247.382	3.477	0	50	BGAA	
Cc1ccc(OCCc2c(C)n[nH]c2C)cc1C	5091625	LLOLNSNHSLGNFF-UHFFFAOYSA-N	244.338	3.265	0	50	BGAA	
CCC(C)(C)NC(=O)Nc1cccc(OC)c1	6731077	AUXYLDNMZMEYGP-UHFFFAOYSA-N	236.315	3.005	0	50	BGAA	
FC(F)(F)c1ccc2ncc(Cl)nc2c1	71783054	QZIICAUFDSJYTM-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	in-vitro
CN1CC=C(c2c[nH]c3cc(F)ccc23)CC1	138951951	WKGUELSFWIABNB-UHFFFAOYSA-N	230.286	3.026	0	50	BGAA	
CCc1c(C)nc(C)nc1-c1ccc(O)c(C)c1	534660560	IWYSXZDDGTUKDJ-UHFFFAOYSA-N	242.322	3.337	0	50	BGAA	
Cc1ccc(NC(=O)c2ccccc2)s1	53350	GGDBJDJGYZCPNT-UHFFFAOYSA-N	217.293	3.309	0	50	BGAA	
Cc1cccc(C(=O)Nc2ccc(O)cc2C)c1	92293	FLROYHPVQOKLEM-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
CC(C)(C)CC(=O)Nc1ccc(F)cc1F	382439	GBTGJOHRDNNBDB-UHFFFAOYSA-N	227.254	3.340	0	50	BGAA	
C[C@@H](OC(=O)c1ccccc1O)c1ccccc1	394268	HQDSNAACHSHYQI-LLVKDONJSA-N	242.274	3.310	0	50	BGAA	
CC(=O)[C@@H](C)Oc1c(Cl)cccc1Cl	1401867	RXSHORGLJSZPAH-SSDOTTSWSA-N	233.094	3.350	0	50	BGAA	
CC[C@@H](C)c1ccc2nc(N)sc2c1	2533958	VOEOFBUCJFSRDG-SSDOTTSWSA-N	206.314	3.392	0	50	BGAA	in-vitro
Cc1cc(-c2ccccc2)[nH]c(=S)n1	3040629	LWQVDRQQNNUJRO-UHFFFAOYSA-N	202.282	3.115	0	50	BGAA	in-vitro
CCCNC(=O)c1cc(Cl)cc(Cl)c1	3134518	MPELDPYJXWGKJS-UHFFFAOYSA-N	232.110	3.133	0	50	BGAA	
COc1c(C)cc(C(C)(C)C)cc1C=O	3612542	WXCAOENWAZUJSV-UHFFFAOYSA-N	206.285	3.114	0	50	BGAA	
O=C(Nc1nccs1)c1ccc(Cl)s1	4070269	VBGAHMPOZZJMQQ-UHFFFAOYSA-N	244.728	3.110	0	50	BGAA	
CC1(C)CC(=O)C(C)(C)c2ccccc21	4539101	PMQHKFROIUJQAE-UHFFFAOYSA-N	202.297	3.215	0	50	BGAA	
CN(CCc1ccccc1)c1ccccc1	5328782	HPCUOTQJNQXHAG-UHFFFAOYSA-N	211.308	3.366	0	50	BGAA	
CC(C)c1cc(C(=O)N2CCCCC2)cs1	12382858	AZKPOKPJYBUGBO-UHFFFAOYSA-N	237.368	3.498	0	50	BGAA	
Cc1ccc(F)cc1NC(=O)C(C)(C)C	13325530	HDCNBJHYPLJWHX-UHFFFAOYSA-N	209.264	3.119	0	50	BGAA	
CCCCc1nc(-c2ccc(C)cc2)no1	38536998	ZEOZYTVTADWQDW-UHFFFAOYSA-N	216.284	3.388	0	50	BGAA	in-vitro
FC(F)(F)[C@@](F)(Cl)C(F)(F)Cl	64220313	JSEUKVSKOHVLOV-PVQJCKRUSA-N	220.927	3.285	0	50	BGAA	
Cc1noc(C)c1[C@@H](C)CNc1ccc(F)cn1	241634574	PNNKQRYFTXIUQZ-QMMMGPOBSA-N	249.289	3.041	0	50	BGAA	
CC1(C)C(=O)N[C@@H]1c1cc(Cl)cc(Cl)c1	309094781	GEFZLRBWMKKLTM-SECBINFHSA-N	244.121	3.191	0	50	BGAA	
Cc1conc1CN[C@@H](c1ccccc1)C(C)C	708315433	QEIYYKLCABBLGX-OAHLLOKOSA-N	244.338	3.470	0	50	BGAA	
N[C@H](c1ccccc1)C1(O)CCCCCCC1	958527759	HAHUWKJMYSIQHX-CQSZACIVSA-N	233.355	3.162	0	50	BGAA	
C=CC(=O)N[C@H]1CCc2cccc3cccc1c23	1335331693	SDUDVGJOVZSBRV-AWEZNQCLSA-N	237.302	3.129	0	50	BGAA	
Cc1[nH]c2ccccc2c1NC(=O)CC(C)C	1857527347	PCIYVINMEGQXNZ-UHFFFAOYSA-N	230.311	3.461	0	50	BGAA	
CC[C@H]1CCCN(c2nncc(C)c2C)CC1	1857668186	HBKLSAGKFZSQSL-ZDUSSCGKSA-N	233.359	3.110	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1ccc(Cl)cc1	383522	JQFSPJVRVRSMOP-SECBINFHSA-N	225.719	3.258	0	50	BGAA	
CC1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1	433004	HNHJEEWFBVQWDZ-QPJJXVBHSA-N	247.313	3.097	0	50	BGAA	
O=C(O)CSc1cc(Cl)ccc1Cl	1669679	DCXXCTCEJFBLPD-UHFFFAOYSA-N	237.107	3.170	0	50	BGAA	
CCc1cccc(NC(=O)c2ccc(C)o2)c1	2739908	FLUTXQQTSMTPPR-UHFFFAOYSA-N	229.279	3.403	0	50	BGAA	
c1cncc(-c2nc(C3CCCCC3)no2)c1	2992138	WJGIJTGSWGHGGU-UHFFFAOYSA-N	229.283	3.179	0	50	BGAA	
CC(C)=CCC[C@@]12CC[C@@](CO)(CO1)[C@H](C)C2	4026431	LQPMZMFZFJEKHJ-KFWWJZLASA-N	238.371	3.301	0	50	BGAA	biogenic
Cc1ccc(C)c([C@@H](C)NC(=O)c2ccco2)c1	6725969	SBGRLJNXYSUKJV-GFCCVEGCSA-N	243.306	3.387	0	50	BGAA	
CC(=O)Nc1ccc(Cl)cc1C(F)(F)F	6728827	IZNOWIFMPCHWNZ-UHFFFAOYSA-N	237.608	3.317	0	50	BGAA	in-vitro
COc1ccc(CNC2CCCC2)cc1Cl	20927899	DSYBEDHROJWVBH-UHFFFAOYSA-N	239.746	3.381	0	50	BGAA	
COC(=O)c1cccc(C(F)(F)F)c1Cl	21304757	LEECXUQPLLXGGK-UHFFFAOYSA-N	238.592	3.145	0	50	BGAA	in-vitro
CSc1ccc(-c2cccc(C=O)n2)cc1	25757409	PBHUZBQNKVILJP-UHFFFAOYSA-N	229.304	3.283	0	50	BGAA	
Cc1[nH]c2ccc(Cl)cc2c1CCN(C)C	28526198	KSYMELKKLOFABL-UHFFFAOYSA-N	236.746	3.234	0	50	BGAA	in-vitro
CC1(C)COc2ccc(Br)cc21	33834557	GHLAFQZIMFGGDC-UHFFFAOYSA-N	227.101	3.119	0	50	BGAA	in-vitro
Fc1cc(Br)c(F)cc1S	36533000	XSGKHVPYFWMQQM-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	in-vitro
CCn1c(C)cc2cc(NC(=O)N(C)C)ccc21	96165086	LRFTYSLIPZOJJH-UHFFFAOYSA-N	245.326	3.063	0	50	BGAA	
O=C(Nc1ccccc1Cl)[C@@H]1C[C@H]2C=C[C@H]1C2	120546829	RMOAMVYXYAMQJD-GARJFASQSA-N	247.725	3.491	0	50	BGAA	
Fc1ccccc1[C@H]1CNCc2ccccc2O1	299784445	GTPSTQJWSMKFEG-OAHLLOKOSA-N	243.281	3.049	0	50	BGAA	
Fc1cc(Br)c2cnccc2c1	307193799	HCZGXSHJAQARMI-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
COc1c(CNC2CCCC2)ccc2[nH]ccc12	2325783680	UGRILRANIBDJMX-UHFFFAOYSA-N	244.338	3.209	0	50	BGAA	
OC1=NC2(CCCCC2)Nc2ccccc21	53744	LUDINISIACCKKZ-UHFFFAOYSA-N	216.284	3.077	0	50	BGAA	biogenic,in-vitro
O=C(c1ccccc1)N1CCC[C@H]2CCCC[C@H]21	190499	QUQKAXPIRYDMHC-UKRRQHHQSA-N	243.350	3.481	0	50	BGAA	
S=C(Nc1ccccc1)N1CCCCCC1	251337	ULNNAURUINOGHW-UHFFFAOYSA-N	234.368	3.259	0	50	BGAA	
Cc1ccc(C(=O)Nc2nccs2)cc1C	288415	CAIAVZRVQQHMLX-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
C[C@H](Nc1ccccc1)n1nnc2ccccc21	403166	HLIOCSMHAVCKMV-LLVKDONJSA-N	238.294	3.062	0	50	BGAA	
O=Cc1ccc(-c2ccc(F)cc2F)cc1	2528962	VXWNQBQQPCHIMW-UHFFFAOYSA-N	218.202	3.444	0	50	BGAA	in-vitro
CSc1ccc(-c2csc(N)n2)cc1	3434793	YSUNRHCYOWYXOJ-UHFFFAOYSA-N	222.338	3.114	0	50	BGAA	in-vitro
CC(=O)c1oc2ccccc2c1Br	14007260	QADCPIOQDOBMKS-UHFFFAOYSA-N	239.068	3.398	0	50	BGAA	
O=[P@]1(c2ccccc2)CNc2ccccc2O1	22590089	UHUMAQOHOIPQTL-QGZVFWFLSA-N	245.218	3.052	0	50	BGAA	
FC(F)C(F)(F)OCc1ccccc1	64370237	PPSLQKOUGIZCGM-UHFFFAOYSA-N	208.154	3.061	0	50	BGAA	in-vitro
C[C@@H](NC(=O)OC(C)(C)C)c1cccc(C=O)c1	113985364	YDICSILDLWDIGU-SNVBAGLBSA-N	249.310	3.085	0	50	BGAA	
Cc1nc2cc(-c3cncnc3)ccc2s1	1240375815	RXVNWTDLOZUCHN-UHFFFAOYSA-N	227.292	3.062	0	50	BGAA	
CCCC(=O)c1ccc(Br)cc1	65218	HOIDKJFWEVIJAT-UHFFFAOYSA-N	227.101	3.432	0	50	BGAA	in-vitro
COc1cccc(NC(=O)c2ccccc2C)c1	298987	SPIILUGKKBPDKX-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
COC(=O)[C@@H](CC1CCCCC1)n1cccc1	1393012	IXJBCIMDMSGUPH-CYBMUJFWSA-N	235.327	3.173	0	50	BGAA	
O=C(Cc1ccccc1)C1CCCCC1	2510523	NHBBLULITNXPDY-UHFFFAOYSA-N	202.297	3.379	0	50	BGAA	in-vitro
Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1	2550024	ODKZAVMWGNJMIA-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
CCc1ccc([C@H](O)c2ccc(F)cc2)cc1	4255769	FZTGUOYUSGWXHP-HNNXBMFYSA-N	230.282	3.470	0	50	BGAA	
Cc1cc(C(=O)N[C@@H](C)C(C)(C)C)cs1	4750171	UFGIWWHMRARPHK-VIFPVBQESA-N	225.357	3.221	0	50	BGAA	
CCOc1ccccc1NC(=O)N[C@@H](C)CC	6698336	ZEQSSSMHDYRQQW-JTQLQIEISA-N	236.315	3.005	0	50	BGAA	
CC(=O)c1cccc(-c2cccc(O)c2)c1	32002780	AWTYPSRVOKBQPL-UHFFFAOYSA-N	212.248	3.262	0	50	BGAA	
Cc1ccc2c(Br)ccnc2c1	32099833	OCLGLPIZIAXVLN-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CCOC(=O)c1ccc(-c2ccccc2N)cc1	95495636	QOJUOTKHAMEPPI-UHFFFAOYSA-N	241.290	3.113	0	50	BGAA	
O[C@@H]1CCCC[C@H]1c1cc(F)c(F)c(F)c1	116675677	QHRKMVMQTVIBJN-GZMMTYOYSA-N	230.229	3.122	0	50	BGAA	
Oc1c(Cl)cc(OC(F)F)cc1Cl	141007693	JWNZFNSHZOYKQH-UHFFFAOYSA-N	229.009	3.300	0	50	BGAA	
FCCSc1nc2ccc(F)cc2o1	149332248	QBZRIGLUSGMVKV-UHFFFAOYSA-N	215.224	3.029	0	50	BGAA	
Cc1occc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2	245200746	CIZHXHVTJZNVTD-QVSJOPQTSA-N	247.338	3.143	0	50	BGAA	
Cc1ccoc1C(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2	264845994	HTOPWCHJADXRHQ-ZDEQEGDKSA-N	247.338	3.143	0	50	BGAA	
COc1ccc(F)cc1-c1ocnc1CC1CC1	2356147268	OWOINUOQMDSEHC-UHFFFAOYSA-N	247.269	3.442	0	50	BGAA	
O=C(O)/C(=C\c1ccccc1)c1ccccc1	80749	BIDDLDNGQCUOJQ-KAMYIIQDSA-N	224.259	3.312	0	50	BGAA	in-vitro
COc1ccc(C(=O)Nc2ccccc2F)cc1	299931	NTDPONOQVIHJEB-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1	372612	SNYPTFGFGDPFCF-SNVBAGLBSA-N	233.311	3.264	0	50	BGAA	
O=C(CSc1ccccn1)c1ccc(F)cc1	432838	UFEDGNOFTXHLIN-UHFFFAOYSA-N	247.294	3.196	0	50	BGAA	
CC(C)C(=O)Nc1cc(Cl)c(O)c(Cl)c1	1006410	AEFGZQAKWONFNO-UHFFFAOYSA-N	248.109	3.294	0	50	BGAA	
CC(C)[C@H]1Cc2ccc([C@@H](C)C(=O)O)cc2C1	1846286	RYDUZJFCKYTEHX-MFKMUULPSA-N	232.323	3.246	0	50	BGAA	in-man
Oc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	2470162	JAWYWGRTWUVTEN-UHFFFAOYSA-N	236.274	3.449	0	50	BGAA	
Cc1ccccc1COc1ccccc1C(=O)O	2643728	XAXILSBUFMJVHV-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
O=C(NCc1ccc(Cl)c(Cl)c1)C1CC1	2749790	SVDBSWZGTSIFMJ-UHFFFAOYSA-N	244.121	3.020	0	50	BGAA	
C[C@H](c1ccccc1)n1c(C2CC2)n[nH]c1=S	4779413	HJLNYRJDIFXGMM-SECBINFHSA-N	245.351	3.427	0	50	BGAA	
Cc1ccsc1CNC1CCCCC1	5051162	NGMYCEGDKQRRPW-UHFFFAOYSA-N	209.358	3.479	0	50	BGAA	
CCCCC1=Cc2ccccc2[C@@H]1NC(C)=O	5711587	MKTCAHLRNGAJAB-OAHLLOKOSA-N	229.323	3.451	0	50	BGAA	
O=C1CC2(CCCCC2)Oc2cc(O)ccc21	8764834	PNAWIVQCNNWUBD-UHFFFAOYSA-N	232.279	3.060	0	50	BGAA	biogenic
Nc1ccc([C@H](O)c2ccccc2)c(Cl)c1	16649343	MGWVIPSZDAMLDT-CYBMUJFWSA-N	233.698	3.004	0	50	BGAA	
CC(C)Nc1ccc(Br)cc1	19093848	GCAYZUSDLCJJAW-UHFFFAOYSA-N	214.106	3.269	0	50	BGAA	in-vitro
C[C@@H](N)c1ccc(NC(=O)OC(C)(C)C)cc1	33465772	WVQNHLVEDPIIRS-SECBINFHSA-N	236.315	3.053	0	50	BGAA	
OCc1ccc(Br)c2ccccc12	39278610	QAZWQAUUZFJKMU-UHFFFAOYSA-N	237.096	3.095	0	50	BGAA	in-vitro
Nc1c(Br)ccc2ccccc12	44075621	YEHNFUTUJAFCAW-UHFFFAOYSA-N	222.085	3.185	0	50	BGAA	in-vitro
c1cc2cn[nH]c2cc1N[C@H]1C[C@H]2CC[C@H]1C2	226917238	LZAYLGSOPOTJMC-KWBADKCTSA-N	227.311	3.163	0	50	BGAA	
Oc1cc(Cl)cnc1OCc1ccccc1	261494039	OIMSOVXQVNPLLK-UHFFFAOYSA-N	235.670	3.020	0	50	BGAA	
Cc1ccoc1C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	264845992	HTOPWCHJADXRHQ-VOAKCMCISA-N	247.338	3.143	0	50	BGAA	
O=C(Oc1ccccc1)Oc1ccccc1	134817	ROORDVPLFPIABK-UHFFFAOYSA-N	214.220	3.264	0	50	BGAA	biogenic,in-vitro
Cc1ccc(CNC(=O)c2ccccc2C)cc1	362049	UIQJURGJJYRAHM-UHFFFAOYSA-N	239.318	3.233	0	50	BGAA	
CCc1nc(=S)c2c3c(sc2[nH]1)CCC3	1306821	QZJKBRUYUARVGX-UHFFFAOYSA-N	236.365	3.405	0	50	BGAA	
CCc1ocnc1-c1nc(-c2cccs2)no1	19741555	SEBCDVUYLODSON-UHFFFAOYSA-N	247.279	3.016	0	50	BGAA	
FC(F)(F)c1cccc(C2=CCNCC2)c1	19811379	IFYKRMQORZOMNY-UHFFFAOYSA-N	227.229	3.082	0	50	BGAA	
C[C@@H]1CC(C)(C)N(C)c2ccc(C=O)cc21	34561639	YFSBNVZQFZCCTP-SNVBAGLBSA-N	217.312	3.221	0	50	BGAA	
CC(C)(C)Oc1cc(Br)ccn1	44118279	NCDASAXVWHEWJS-UHFFFAOYSA-N	230.105	3.021	0	50	BGAA	in-vitro
CC(C)(C)Nc1ccc(N)cc1Br	49844127	LGDOOPDSFMBZII-UHFFFAOYSA-N	243.148	3.242	0	50	BGAA	
Cc1cnc(OCC(C)C)c(Br)c1	65337520	DKFRYGABMPQDQQ-UHFFFAOYSA-N	244.132	3.187	0	50	BGAA	in-vitro
C[Si](C)(C)[Si](C)(C(=O)O)[Si](C)(C)C	169816773	DNDRGIBZIJKXMV-UHFFFAOYSA-N	234.520	3.158	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccc(OCC)cc1	30594	LGJHOYGOZYLKBI-LLVKDONJSA-N	235.327	3.460	0	50	BGAA	
O=C1C[C@H](c2ccccc2)Oc2ccc(O)cc21	57917	XYHWPQUEOOBIOW-OAHLLOKOSA-N	240.258	3.099	0	50	BGAA	biogenic,in-vivo
CCOc1cc(Cl)c2ccccc2n1	343517	MIEWYQHHTOEPEI-UHFFFAOYSA-N	207.660	3.287	0	50	BGAA	
CCN(CC)CCCCOc1ccc(C)cc1	2493474	CRJZWTFYDLQOOF-UHFFFAOYSA-N	235.371	3.496	0	50	BGAA	
O=C(c1ccccc1)c1cccc(F)c1	2575079	NCIYZALOQBXNLW-UHFFFAOYSA-N	200.212	3.057	0	50	BGAA	in-vitro
COc1ccccc1OC(=O)C1CCCCC1	16966335	ZIFGSQLZPHVOJR-UHFFFAOYSA-N	234.295	3.181	0	50	BGAA	
Fc1cccc(CNC2CCCCC2)c1	19878854	VZYLCWFYZXAELP-UHFFFAOYSA-N	207.292	3.248	0	50	BGAA	in-vitro
CC(C)(CN)c1ccc(Cl)c(Cl)c1	33487044	MSZDVAOFDODOOY-UHFFFAOYSA-N	218.127	3.230	0	50	BGAA	in-vitro
CN(C(=O)[C@@]1(C)C=CCC1)c1ccccc1	43214813	WCYSHVUPGGBEOZ-AWEZNQCLSA-N	215.296	3.006	0	50	BGAA	
COc1cc(C(=O)O)cc(-c2cccc(F)c2)c1	47204727	BHRXHGVZOOKSKJ-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
NCCC[C@]1(C2=CCCCC2)CCCC[C@@H]1O	96026516	AWGYJUNTRGVGIK-GJZGRUSLSA-N	237.387	3.147	0	50	BGAA	
CCCSCCC(=O)c1ccccc1	130801471	NXBFSURFLZXYBJ-UHFFFAOYSA-N	208.326	3.403	0	50	BGAA	
COC(=O)CC1CCC(C(C)(C)C)CC1	169139945	QWPPRHRNHXITPD-UHFFFAOYSA-N	212.333	3.402	0	50	BGAA	
C[C@H](NC[Si](C)(C)C)c1ccccc1	169953840	ZNLUTOAUUHFXKI-NSHDSACASA-N	207.393	3.215	0	50	BGAA	
Cc1nnc(CSCCC(C)(C)C)o1	170603052	XWVJYHPLAJMWKV-UHFFFAOYSA-N	214.334	3.047	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@@H]1C[C@H](C)C[C@H](C)N1	757208890	FBEDMYKQEVHCLX-VPJDZLOFSA-N	243.354	3.320	0	50	BGAA	
Cc1sc2ncnc(N3CCCCC3)c2c1C	41062	BGLKAPFSEFMNPI-UHFFFAOYSA-N	247.367	3.298	0	50	BGAA	
Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1	300909	ZJERMVFQFCPDPT-STQMWFEESA-N	229.323	3.370	0	50	BGAA	
Oc1cc(Cl)c(Br)c(Cl)c1	338757	WESPEUKZHWMEIQ-UHFFFAOYSA-N	241.899	3.462	0	50	BGAA	
C[C@H]1C(=O)N(c2ccccc2)c2ccccc21	404199	DJKASMOURATDIE-LLVKDONJSA-N	223.275	3.468	0	50	BGAA	
O=C(Nc1ccc(F)cc1)c1cccs1	485164	GCPZKOCHNSMRNY-UHFFFAOYSA-N	221.256	3.140	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(F)cc2F)cc1	2528960	DGHGRAZWNAQANC-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
CCN(CC)CCCOc1cc(C)ccc1C	2896637	SQHVNWNPPLHIOA-UHFFFAOYSA-N	235.371	3.414	0	50	BGAA	
CC(=O)c1ccc(-n2cnc3ccccc32)cc1	3888764	QUJQOWRVTLABIP-UHFFFAOYSA-N	236.274	3.228	0	50	BGAA	
C[C@@H](CCCC(C)(C)O)N[C@@H]1CCC[C@@H](C)C1	4989437	MIKSTOQTQHEXAR-HZSPNIEDSA-N	241.419	3.484	0	50	BGAA	
CCN(CC)CCOc1ccc(C)cc1C	4989625	DUOHMPAEPVCGEN-UHFFFAOYSA-N	221.344	3.024	0	50	BGAA	
Nc1cccc(NC(=O)c2ccc(Cl)cc2)c1	9264608	RCPUMSGSCKNPRZ-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
C[C@@](Nc1ccccc1)(C(=O)O)c1ccccc1	19093522	AAEHCOPCHOUPLL-HNNXBMFYSA-N	241.290	3.099	0	50	BGAA	
CCc1cccc(C)c1NC(=O)c1coc(C)n1	22606334	UANSELRPBNBOOK-UHFFFAOYSA-N	244.294	3.106	0	50	BGAA	
Cc1cccc(-c2nc3ccccc3n2C)c1O	37323730	VFQHBRCUQPYDGT-UHFFFAOYSA-N	238.290	3.254	0	50	BGAA	
COc1ccc([C@H](C)N(C)Cc2ccco2)cc1	65425095	KGHCWCFQRNWMPU-LBPRGKRZSA-N	245.322	3.481	0	50	BGAA	
COc1ccc(OC)c2c1[C@H]1C=C[C@H]2[C@@H]2C=C[C@H]12	216409064	FUSGIAVRWSPRGL-USZNOCQGSA-N	240.302	3.257	0	50	BGAA	
C[C@H](Nc1cccc2c1CCO2)c1cccnc1	225452797	RFRNJYJLYWPGHH-NSHDSACASA-N	240.306	3.190	0	50	BGAA	
ClC1(Cl)[C@H]2[C@H]1[C@H]1O[C@H]2c2ccccc21	254788297	MCKIEIUOJSYDPH-XKNYDFJKSA-N	227.090	3.233	0	50	BGAA	
C=Cc1c(F)cc(Br)cc1F	258833994	NQECSHUEKMLGED-UHFFFAOYSA-N	219.028	3.370	0	50	BGAA	
C[C@H]1C[C@@H](C)N(C)C(C)(C)[C@@]1(O)c1ccccc1	261361543	NYYYKYZRBDJDOM-ZENOOKHLSA-N	247.382	3.013	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@H]1CCC[C@@H](C)N1	757207516	BPRRWQXLTRZERM-ZWNOBZJWSA-N	229.327	3.074	0	50	BGAA	
Cc1cc(NC(=O)[C@@]23CCCC[C@H]2C3)cnc1C	893809875	VBXWOYQHKSHHPV-SWLSCSKDSA-N	244.338	3.217	0	50	BGAA	
C=CC(=O)Nc1cc(C)cc2ccccc12	1120463212	XHGLCIANWUAKAF-UHFFFAOYSA-N	211.264	3.273	0	50	BGAA	
O=C(O)Cc1cccc(-c2ncccc2Cl)c1	1875248578	YSLMIBZMMSJIDK-UHFFFAOYSA-N	247.681	3.029	0	50	BGAA	
C[C@H]1CCc2nc(-c3cccnc3F)sc2C1	1875283378	PVGBSLMXIRDMKN-QMMMGPOBSA-N	248.326	3.469	0	50	BGAA	
CN(C(=O)c1cccs1)c1ccccc1	245748	BOZHRPMAQWSIKH-UHFFFAOYSA-N	217.293	3.025	0	50	BGAA	
CC(C)N1C(=O)[C@@H](C)S[C@H]1c1ccccc1	277906	SDKLGBFPKQIVEN-MFKMUULPSA-N	235.352	3.058	0	50	BGAA	
Cc1ccc2cc(C=O)c(Cl)nc2c1C	287809	ISBVEHFRQCFGCD-UHFFFAOYSA-N	219.671	3.318	0	50	BGAA	
COc1ccc(-c2ccccc2C(=O)O)cc1	1686633	IPLPMLYQQDEHHD-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	biogenic,in-vitro
Cc1nc2c(C)cccc2c2c1C[C@H](C)O2	4011601	IFFWTSCOALEAMI-VIFPVBQESA-N	213.280	3.175	0	50	BGAA	biogenic
NCc1ccc(-c2ccc(Cl)cc2)cc1	5763422	PYUKPZBUJCFYRQ-UHFFFAOYSA-N	217.699	3.466	0	50	BGAA	in-vitro
CC[C@@H](C)NC(=O)CCc1ccccc1Cl	10458368	JLTYDYYKPCZLSK-SNVBAGLBSA-N	239.746	3.187	0	50	BGAA	
CC(=O)c1cc(Cl)cc(OC(F)(F)F)c1	12359227	JIZQMRMVMMKCGE-UHFFFAOYSA-N	238.592	3.441	0	50	BGAA	in-vitro
Cn1ccc(-c2cccc(-c3ccccn3)c2)n1	23543638	FSDKAWFIFOXKCK-UHFFFAOYSA-N	235.290	3.149	0	50	BGAA	
Cc1ccc2cnccc2c1Br	32501166	CAZBCNFFPBHCRW-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
Cc1cc(C=O)ccc1-c1ccncc1F	157500639	DNSRSPPRCIUROA-UHFFFAOYSA-N	215.227	3.009	0	50	BGAA	
Fc1ccc([C@@H]2CCN2Cc2cscn2)cc1	215668278	YSAMAYWKCKCLFW-ZDUSSCGKSA-N	248.326	3.229	0	50	BGAA	
COCc1nc(C2(c3ccccc3)CC2)cs1	357252986	LDQGPZDFJAIALX-UHFFFAOYSA-N	245.347	3.369	0	50	BGAA	
C1=C[C@@H](n2ccnc2-c2cncs2)CCC1	1875244062	KTPKIPDLPYBAKW-SNVBAGLBSA-N	231.324	3.288	0	50	BGAA	
Nc1c(Cl)cc(Cl)c(Cl)c1F	1875273002	REIJFEWQZLFBRX-UHFFFAOYSA-N	214.454	3.368	0	50	BGAA	
C[C@@H]1CCc2nc(-c3ccc(F)nc3)sc2C1	1875283136	HMRFBZVJHHSYOC-MRVPVSSYSA-N	248.326	3.469	0	50	BGAA	
Sc1snnc1-c1ccc(Cl)cc1	168607	STGPCGOOAJRAQW-UHFFFAOYSA-N	228.729	3.147	0	50	BGAA	
O=C1CSc2c(Cl)ccc(Cl)c21	398643	RXBGQMAHSXLVLU-UHFFFAOYSA-N	219.092	3.282	0	50	BGAA	
CCc1ccc(NC(=O)C2CCCC2)cc1	1016974	APELEAODURJCEB-UHFFFAOYSA-N	217.312	3.378	0	50	BGAA	
O=C(O)Cc1ccccc1-c1ccc(F)c(F)c1	2513040	NIKJTQMWFFYBAM-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	
Cc1ccc(NC(=O)N2CCC[C@H](C)C2)cc1	6726988	QWUGTGNSBCWRJP-LBPRGKRZSA-N	232.327	3.259	0	50	BGAA	
FC(F)(F)c1ccccc1-c1cc[nH]n1	14808282	PLVBEMJBWHCRIQ-UHFFFAOYSA-N	212.174	3.096	0	50	BGAA	in-vitro
CC(C)NCc1cc(Br)ccc1F	19278018	IXXUYKRGUZVACR-UHFFFAOYSA-N	246.123	3.086	0	50	BGAA	in-vitro
CCOC(=O)c1cnc2ccsc2c1Cl	30678413	BMGRDHCUAJOXDZ-UHFFFAOYSA-N	241.699	3.126	0	50	BGAA	in-vitro
COc1ccc(-c2cccc(C)c2C(=O)O)cc1	65349976	FPVPYIAJLDXVQR-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
Cc1ccc2[nH]cc(-c3ccnc(N)c3)c2c1	67854831	HRNBZRCPXUCDFF-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	
CC[C@H]1CCCN(Cc2cc(OC)ccn2)CC1	117343366	WOQNZZRJICVVSK-ZDUSSCGKSA-N	248.370	3.102	0	50	BGAA	
CCOc1cc(C(C)=O)ccc1Br	200720057	FZHGMWSQXIKSIR-UHFFFAOYSA-N	243.100	3.050	0	50	BGAA	
CCN1CCCc2ccc(C(F)(F)F)cc21	203775679	IQPWFRSAVPKVPS-UHFFFAOYSA-N	229.245	3.478	0	50	BGAA	
O[C@@H]1[C@H]2C=C[C@H]1[C@@H]1[C@H]2[C@H]2CC[C@H]1c1ccccc12	247777821	YNZJBUCKABZWKH-OGEQHFGCSA-N	238.330	3.070	0	50	BGAA	
NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	120199	DHVHORCFFOSRBP-UHFFFAOYSA-N	243.150	3.183	0	50	BGAA	in-vitro
C[C@@H]1CCC[C@H](NC(=O)c2ccccc2F)C1	390015	NDNWNFDBNWNMQG-MNOVXSKESA-N	235.302	3.134	0	50	BGAA	
CCN(CC)C(=O)CCc1ccccc1Cl	394279	QVFZYDCABKFRGO-UHFFFAOYSA-N	239.746	3.141	0	50	BGAA	
FC(F)(F)c1cnc(-c2cnoc2)c(Cl)c1	1384964	GYYNWOFIORAVAD-UHFFFAOYSA-N	248.591	3.409	0	50	BGAA	
CCCOC(OCCC)(OCCC)OCCC	2528022	LFMXSZSVDQJYDU-UHFFFAOYSA-N	248.363	3.304	0	50	BGAA	
CCCCOc1ccc(CCN)cc1Cl	2566846	VGPBDBGROSTSGL-UHFFFAOYSA-N	227.735	3.020	0	50	BGAA	
COc1ccc(-c2ccc(C=O)cc2)cc1F	4204267	GQGLQEUFJZBPIJ-UHFFFAOYSA-N	230.238	3.314	0	50	BGAA	
CC1CCN(C(=O)Nc2ccccc2F)CC1	4539236	DZAIJLVBVFEGKQ-UHFFFAOYSA-N	236.290	3.090	0	50	BGAA	
CSC1=NC(C)(C)Cc2ccccc21	4860700	IAYIROUIYOEEAO-UHFFFAOYSA-N	205.326	3.131	0	50	BGAA	
Nc1ccc(-c2ccc(F)cc2Cl)cn1	65422318	CFWQIGXKFOLDEM-UHFFFAOYSA-N	222.650	3.123	0	50	BGAA	
Cc1nc(C)c([C@@H]2CCCCN2)c(C)c1C	86022024	QWHQBEDLEOBZDV-ZDUSSCGKSA-N	218.344	3.130	0	50	BGAA	
C=Cc1ccc(Br)c(F)c1	116382662	JMRVXFZYXPTEOY-UHFFFAOYSA-N	201.038	3.231	0	50	BGAA	
Cc1cnc(COc2ccc(C)c(F)c2)o1	193591573	SKDFCSOQEFSRNW-UHFFFAOYSA-N	221.231	3.010	0	50	BGAA	
Oc1c(Cl)cc(F)c(F)c1Br	217534535	TWFKZHJHAFTQHX-UHFFFAOYSA-N	243.434	3.086	0	50	BGAA	
FC(F)Oc1ncc(C(F)(F)F)cc1Cl	238532367	UZZUFGXZLGFMQI-UHFFFAOYSA-N	247.550	3.355	0	50	BGAA	
CC(C)(C)C(=O)Nc1cc(-c2cccs2)n[nH]1	263877449	QHNXFZJLHLMNNO-UHFFFAOYSA-N	249.339	3.123	0	50	BGAA	
C1=C(c2ccc3ccccc3c2)CNCC1	304349853	WWSVOXXMMGNHNG-UHFFFAOYSA-N	209.292	3.217	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2ncnn2C(C)C)c1	426407666	OEUKUBMQWKFVFZ-NSHDSACASA-N	245.326	3.233	0	50	BGAA	
Cc1ccc(/C=C/Br)c(F)c1	606282650	OATYNAJFIUAOBD-SNAWJCMRSA-N	215.065	3.500	0	50	BGAA	
Oc1ccc(/C=C/Br)c(F)c1F	685963710	CUPKCYOSYYMYCF-ONEGZZNKSA-N	235.027	3.036	0	50	BGAA	
C=CC(=O)Nc1ccccc1C1CCC1	1776006221	PDCKGBHWYLZWPT-UHFFFAOYSA-N	201.269	3.079	0	50	BGAA	
Cc1cccc(C)c1NC(=O)c1ccco1	29985	JHKXLXFJRVUZRH-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
O=C1Nc2ccccc2CCc2ccccc21	119566	JZDBKFVASLJURR-UHFFFAOYSA-N	223.275	3.038	0	50	BGAA	
CC[C@@H](C)SCc1cc(C(=O)O)oc1C	139480	BLQZTMZQZKDDTO-SSDOTTSWSA-N	228.313	3.318	0	50	BGAA	
O=C(O)c1ccccc1Oc1ccccc1	156594	PKRSYEPBQPFNRB-UHFFFAOYSA-N	214.220	3.177	0	50	BGAA	biogenic,in-vitro
Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)o1	1056271	SNTFDXGJGQWDSQ-JTQLQIEISA-N	241.290	3.179	0	50	BGAA	
Cc1ccc(OCCCNC(C)(C)C)cc1	2898070	HXKYHQIGGWZIQX-UHFFFAOYSA-N	221.344	3.152	0	50	BGAA	
OC(c1cccc(F)c1)c1cccc(F)c1	4254940	JCMJXDJOHQCPOO-UHFFFAOYSA-N	220.218	3.047	0	50	BGAA	
CCOc1ccc(NC(=O)N2CCCCC2)cc1	4838787	LHIIREIZCSHSHF-UHFFFAOYSA-N	248.326	3.103	0	50	BGAA	
Cc1ccc(NC(=O)CC(C)C)cc1F	5050455	KWVNYYGLGUOETG-UHFFFAOYSA-N	209.264	3.119	0	50	BGAA	
C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2Cl)C1	8701189	DEZBYVVELTVSTE-NXEZZACHSA-N	238.762	3.405	0	50	BGAA	
FC(F)(F)C(F)(F)c1nc2ccccc2[nH]1	36533774	MRDUDGYTAUTZQP-UHFFFAOYSA-N	236.143	3.217	0	50	BGAA	in-vitro
CC(C)CC[C@H]1CCCCN1CCCC(=O)O	133354448	LDKSQQBAEHUTMG-CYBMUJFWSA-N	241.375	3.142	0	50	BGAA	
CCC[C@@H]1CCCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1	248192420	MIENYBXBBDIKNN-MQYQWHSLSA-N	235.371	3.071	0	50	BGAA	
O=C1C=C(N2CCCCCC2)C2(CCCCC2)O1	50689	HPUVOZZRGIMQGQ-UHFFFAOYSA-N	249.354	3.006	0	50	BGAA	
CC[C@H](C)OC(=O)/C=C/c1ccccc1	1599112	KAUQDJKVXUKALZ-USKTWTLRSA-N	204.269	3.042	0	50	BGAA	in-vitro
FC(F)(F)c1cccc(C(F)(F)F)n1	2560320	YPDVFTXBESQIPJ-UHFFFAOYSA-N	215.096	3.119	0	50	BGAA	in-vitro
COc1cc(Cl)c(Cl)cc1OC	3844122	RJYXLZQZBLGBOM-UHFFFAOYSA-N	207.056	3.011	0	50	BGAA	biogenic,in-vitro
Cc1ccc(NC(=O)Nc2cccnc2)c(C)c1	6714157	YCVFVMRYSVQWDS-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1cccc(C(=O)O)c1OCc1ccccc1	37729611	GKCYQFKNUNDPQV-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	
NCc1ccccc1/C=C/c1ccccc1	71278966	IYEKXNDKKWXQLE-ZHACJKMWSA-N	209.292	3.316	0	50	BGAA	
CC(C)c1cc(O)cc(Br)c1	95710339	SGAOHCAASRMQOF-UHFFFAOYSA-N	215.090	3.278	0	50	BGAA	in-vitro
Oc1ccc2cc(Br)c(O)cc2c1	114267129	NCGIPELWHJKROR-UHFFFAOYSA-N	239.068	3.014	0	50	BGAA	
OCc1cc(Cl)c(Cl)cc1OC(F)F	263623304	GIPVHUVOADFYGL-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
Clc1c(C2=CCCNC2)ccc2c1CCC2	1875343319	XDUVVHBRTLXXOW-UHFFFAOYSA-N	233.742	3.205	0	50	BGAA	
Cc1sc2nc(C(C)(C)C)oc(=O)c2c1C	186158	JYQDAPUXFHTQHG-UHFFFAOYSA-N	237.324	3.164	0	50	BGAA	
COc1ccc(CN2CCCCCC2)cc1	237733	UCPXKGQYRBFHDN-UHFFFAOYSA-N	219.328	3.071	0	50	BGAA	
Cc1ccc(C)c(NC(=O)Cc2ccccc2)c1	271378	KRNUEMBDOSHBQK-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
CCc1ccc(NCn2nc(C)cc2C)cc1	291633	FTRQUEQZWYZOSC-UHFFFAOYSA-N	229.327	3.132	0	50	BGAA	
COc1ccccc1NC(=O)Oc1ccccc1	396882	OYGXHWSGEKJGCN-UHFFFAOYSA-N	243.262	3.306	0	50	BGAA	
CCC[C@H](Cc1ccccc1)N1CCCC1	1481908	OJCPSBCUMRIPFL-OAHLLOKOSA-N	217.356	3.494	0	50	BGAA	biogenic,world
CCc1cc(Br)cc(CC)c1N	2522773	BEJYDMQQZUACPW-UHFFFAOYSA-N	228.133	3.156	0	50	BGAA	in-vitro
FC(F)(F)c1ccc([C@@H]2CNCCS2)cc1	2585751	ZTAJHAOFIGRZJZ-JTQLQIEISA-N	247.285	3.083	0	50	BGAA	in-vitro
O[C@@H](c1ccccc1)c1cccc(Cl)c1	4072023	DDCJHFYXAPQYLA-ZDUSSCGKSA-N	218.683	3.422	0	50	BGAA	in-vitro
C[C@H](O)C1c2ccccc2-c2ccccc21	4521489	YSCDFPXLCCWBIS-JTQLQIEISA-N	210.276	3.180	0	50	BGAA	in-vitro
COc1ccc(CCNC2CCC(C)CC2)cc1	4989471	CVLLKVYPOHADCQ-UHFFFAOYSA-N	247.382	3.406	0	50	BGAA	
O=c1cc(-c2ccccc2)[nH]c2ccc(F)cc12	13111144	YKZPWHOKZPODTO-UHFFFAOYSA-N	239.249	3.334	0	50	BGAA	in-vitro
c1ccc(COc2ccc3cn[nH]c3c2)cc1	16677931	PMKBUGNQHOFKQS-UHFFFAOYSA-N	224.263	3.142	0	50	BGAA	in-vitro
Fc1cc(Br)c(F)cc1Cl	59796796	QVXGDUWCYGGRHC-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
c1ccc([C@@H]2CCCN2C2CCSCC2)nc1	65504763	DVNTYNRRGOZVBW-AWEZNQCLSA-N	248.395	3.114	0	50	BGAA	
CC1(C)CCOc2c(Cl)cc(C=O)cc21	114357885	LBILSTKRPPLZGQ-UHFFFAOYSA-N	224.687	3.213	0	50	BGAA	
C/C(=C\C(=O)Nc1cccnc1)C(C)(C)C	253466746	XGZVWZXDTDIQIN-CSKARUKUSA-N	218.300	3.013	0	50	BGAA	
OCc1ccc(Cl)c(OC(F)F)c1Cl	263622720	AFUCAOFQYOCPJM-UHFFFAOYSA-N	243.036	3.087	0	50	BGAA	
O=C(O)/C=C/c1cc(F)c(Cl)c(Cl)c1	263624745	TWBLAWFQCALZHL-OWOJBTEDSA-N	235.041	3.230	0	50	BGAA	
C1CC2(C1)C[C@@H](N[C@H]1CCC13CCC3)CCO2	334418664	PJSLEZLUGHZKJJ-STQMWFEESA-N	235.371	3.010	0	50	BGAA	
CCc1c(-c2ccc([C@H](C)OC)cc2)cnn1C	426376291	GXUIKQLVDKKVSZ-NSHDSACASA-N	244.338	3.357	0	50	BGAA	
COc1cccc(F)c1-c1cnn(CC2CC2)c1	426541181	AGHZKAONSHZMIB-UHFFFAOYSA-N	246.285	3.108	0	50	BGAA	
CO[C@H](C)c1cccc(-c2nncc(C)c2C)c1	2100545232	KPIDCVAFQFYZJS-GFCCVEGCSA-N	242.322	3.468	0	50	BGAA	
CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1	99614	HISRRIPMKSWSQV-UHFFFAOYSA-N	220.316	3.078	0	50	BGAA	
Cc1c(Br)cc(C(=O)O)c(C)c1C	392136	RZMHOTLNHRMNQM-UHFFFAOYSA-N	243.100	3.073	0	50	BGAA	
Cc1cccc(NC(=O)N2CCCCC2)c1	395267	RYZWKFDWVCEJJH-UHFFFAOYSA-N	218.300	3.013	0	50	BGAA	
OC(c1ccccc1)(c1ccccc1)C1CC1	1718858	MFKPHBJFWOOEDT-UHFFFAOYSA-N	224.303	3.333	0	50	BGAA	in-vitro
CCCCCCNC(=O)c1ccc(F)cc1	2058291	VYPJEVCSPOMLAZ-UHFFFAOYSA-N	223.291	3.136	0	50	BGAA	
CCCOc1cc(Cl)c(C=O)cc1OCC	2775433	OLFTWSQNSHXMJS-UHFFFAOYSA-N	242.702	3.340	0	50	BGAA	
CN1CCC[C@H](CCc2ccccc2F)C1	12199185	RUMOINYFKUXZDN-GFCCVEGCSA-N	221.319	3.100	0	50	BGAA	
CN(C)C(=O)Sc1ccc(Cl)cc1	34288545	LOPCMWSKBSAUCE-UHFFFAOYSA-N	215.705	3.114	0	50	BGAA	
Cc1ccc(SC(F)(F)F)c(N)c1	36819372	ANAMAQFZAQXNRQ-UHFFFAOYSA-N	207.220	3.189	0	50	BGAA	
CCOC(=O)C[C@@H](C)c1ccccc1Cl	79064239	YPZBVBOLBZNVQX-SECBINFHSA-N	226.703	3.397	0	50	BGAA	
Cc1cc(Br)cc(C(F)F)n1	118883392	YZFJZGHDTSNANK-UHFFFAOYSA-N	222.032	3.090	0	50	BGAA	
CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	132372174	QTNWWIGMZKANTK-BFHYXJOUSA-N	237.387	3.461	0	50	BGAA	
C[C@H](CNCc1cnc2ccccc2c1)C1CC1	310577764	SHMIZBUMHYIRNC-GFCCVEGCSA-N	240.350	3.371	0	50	BGAA	
COc1ccc(N2C=NC(C)(C)C[C@H]2C)cc1	888088417	XYTMJNUAHSSUMG-LLVKDONJSA-N	232.327	3.101	0	50	BGAA	
CC(C)(C)n1ccc(C(=O)N[C@@H]2C=CCCC2)c1	1857706147	BNEHRCKIZXLEFV-CYBMUJFWSA-N	246.354	3.082	0	50	BGAA	
Clc1ccc(-c2ccn[nH]2)c(Cl)c1	111783	UJCGSLGYVLLGJK-UHFFFAOYSA-N	213.067	3.384	0	50	BGAA	in-vitro
CC(C)C(NC(=O)Cc1ccccc1)C(C)C	613096	RNEWLQGYXOSJDR-UHFFFAOYSA-N	233.355	3.026	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)c1ccccc1O	1848306	BSNNYLFMWONSIV-UHFFFAOYSA-N	247.681	3.298	0	50	BGAA	
S=C1Nc2ccccc2-c2ccccc2N1	2570597	IBIPPYGBVVOQKX-UHFFFAOYSA-N	226.304	3.476	0	50	BGAA	
C[C@H](O)c1cc(-c2ccc(Cl)cc2)no1	3883369	SQYVFTREWNTIKO-ZETCQYMHSA-N	223.659	3.048	0	50	BGAA	
CCc1nnc(S)n1-c1ccc(C(C)C)cc1	6395527	UKAGIIHIYAYCIN-UHFFFAOYSA-N	247.367	3.242	0	50	BGAA	
O=C(O)c1csc(-c2ccccc2Cl)n1	12336799	BWZOFJBZSUCPSM-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	in-vitro
C=CC[C@]1(C)CCCC(C)=C1C(=O)OC	43762361	QGCKLCGWCHVYOY-CYBMUJFWSA-N	208.301	3.242	0	50	BGAA	
CCCCn1ncc2[nH]c([C@@H](C)CCC)nc21	48422445	KKEODQRUFLENHQ-JTQLQIEISA-N	234.347	3.463	0	50	BGAA	
c1ccc2c(CC[C@H]3CCCCN3)c[nH]c2c1	71770931	INESWDCREILNOK-CYBMUJFWSA-N	228.339	3.243	0	50	BGAA	
CC(C)(Cc1ccc(F)cc1)N1CCCC1	96027558	VYYMZJBLTXAXMX-UHFFFAOYSA-N	221.319	3.243	0	50	BGAA	
CCN1/C(=C/OC)Sc2ccc(OC)cc21	100017525	HULGHRZCRKKFDE-WQLSENKSSA-N	237.324	3.073	0	50	BGAA	in-vitro
O=CCc1ccc(Br)c2ccccc12	149075904	BRNCCVDWKQHFDR-UHFFFAOYSA-N	249.107	3.344	0	50	BGAA	
C[C@H](c1ccncc1)N(C)C[C@@H]1CC=CCC1	221795295	WOLUKIXYNLLYLU-ZIAGYGMSSA-N	230.355	3.431	0	50	BGAA	
CCC(CC)N[C@H]1CCCc2[nH]ccc21	389905427	GUHLQXVKAYGCJL-ZDUSSCGKSA-N	206.333	3.170	0	50	BGAA	
CN(C)C(=O)Nc1cccc(Cl)c1Cl	69749	ZVPQMESWKIQHGS-UHFFFAOYSA-N	233.098	3.087	0	50	BGAA	
c1coc(-c2nc(-c3cccs3)no2)c1	1420888	HLBGHEATWWPAAP-UHFFFAOYSA-N	218.237	3.058	0	50	BGAA	
O=Cc1ccc2ccccc2c1Br	2507999	CYGUXEZVBLMVRV-UHFFFAOYSA-N	235.080	3.415	0	50	BGAA	in-vitro
CCOC(=O)CCCNc1ccc(Cl)cc1	2802016	TXVBLNBZPIPGKG-UHFFFAOYSA-N	241.718	3.095	0	50	BGAA	
C[C@H](CC(=O)O)Sc1ccc(Cl)cc1	5211630	DSCJEDOCSCNYAI-SSDOTTSWSA-N	230.716	3.295	0	50	BGAA	in-vitro
CSc1ccccc1C(=O)N1CCC[C@@H](C)C1	10541083	UFJXUKBGMORUAZ-LLVKDONJSA-N	249.379	3.281	0	50	BGAA	
C[C@H](CCc1ccccc1)NCc1ccccn1	13718330	IZBCTAYCSYMCGH-CQSZACIVSA-N	240.350	3.193	0	50	BGAA	
CCCNCc1cc(Br)ccc1F	19422239	WFBLDEADLRETSL-UHFFFAOYSA-N	246.123	3.088	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)C(C)C)c(C)c1	70250893	WIUJDGDDMIXLOT-LBPRGKRZSA-N	219.328	3.137	0	50	BGAA	
O=C(N[C@@H]1CC12CCCCC2)C1CCCC1	180720798	LZQMAGSZFGRQBC-GFCCVEGCSA-N	221.344	3.016	0	50	BGAA	
CC(=O)c1c(-c2ccc(C)cc2)noc1C	215841646	UBTDANSUOYGENU-UHFFFAOYSA-N	215.252	3.161	0	50	BGAA	in-vitro
C[C@@H]1C[C@@H](c2ccccc2)[C@@H](C)N1C(=O)C1CC1	247381023	LLVOYTFWXCUXMH-LALPHHSUSA-N	243.350	3.190	0	50	BGAA	
CC[C@H](C)c1ccc(OCCn2ccnc2)cc1	311422	OARFLUICUWNTEI-ZDUSSCGKSA-N	244.338	3.476	0	50	BGAA	
C[C@H]1CN=C(Nc2cccc(Cl)c2)S1	340574	IJFKYINDWFJRTB-ZETCQYMHSA-N	226.732	3.243	0	50	BGAA	
O=C(Nc1ncccc1Cl)c1cccs1	371586	PCWCQAAGDUPLDO-UHFFFAOYSA-N	238.699	3.049	0	50	BGAA	
CCOc1ccc2c(C)c(CC)c(=O)oc2c1	449600	PUQNCMYNZIUVIM-UHFFFAOYSA-N	232.279	3.063	0	50	BGAA	
CCN(CC)c1nc(Cl)nc2ccccc12	11756360	ZQUOAVNWQPLAJV-UHFFFAOYSA-N	235.718	3.129	0	50	BGAA	
CC[C@H](C)NC(=O)c1ccccc1C(F)(F)F	16648871	QMMPLMPGSYQVKD-QMMMGPOBSA-N	245.244	3.234	0	50	BGAA	
COc1cc2nc(Cl)cc(C)c2cc1OC	19093662	JWSDOYINPAVDIM-UHFFFAOYSA-N	237.686	3.214	0	50	BGAA	
O=C1CCN(c2ccccc2)c2ccccc21	35635907	DBUVJCMIFADARZ-UHFFFAOYSA-N	223.275	3.411	0	50	BGAA	in-vitro
Brc1cccc2ncsc12	40448839	HIHGDDIOQDNKSV-UHFFFAOYSA-N	214.087	3.059	0	50	BGAA	in-vitro
CCN(CC)Cc1cccc(Br)c1	42211192	JWLUYLGYSHJTMQ-UHFFFAOYSA-N	242.160	3.291	0	50	BGAA	in-vitro
Cc1cc([C@H]2CCCCN2Cc2ccoc2)no1	97213357	VMNZORHUOSTDIS-CQSZACIVSA-N	246.310	3.303	0	50	BGAA	
CC(C)CO[C@@H]1C[C@@H](OC(=O)C(C)C)C1(C)C	170634856	HYBCORWFNOXZJH-VXGBXAGGSA-N	242.359	3.025	0	50	BGAA	
O=C(Oc1ccccc1)[C@@H]1[C@H]2CCCC[C@H]21	245453549	FWCAIPYXFUGLMN-ITGUQSILSA-N	216.280	3.028	0	50	BGAA	
CCOc1ccc(/C=C/C2CCCCC2)nn1	426369874	GJPBYNLGYSNKPM-CMDGGOBGSA-N	232.327	3.469	0	50	BGAA	
Cc1cc(-c2cccc3c2OCC3)c(O)nc1C	426387775	AMLVDCAJFAPLDC-UHFFFAOYSA-N	241.290	3.006	0	50	BGAA	
Nc1ccc(-c2ccnc(C(F)F)c2)c(F)c1	725273679	UKSUJHULQRTLFX-UHFFFAOYSA-N	238.212	3.408	0	50	BGAA	
CCN(CC)C(=O)Nc1ccc(C)cc1C	395241	OCDMFHDZLCUTRE-UHFFFAOYSA-N	220.316	3.177	0	50	BGAA	
Cc1ccc(S(=O)(=O)C2=CCCCC2)cc1	399895	SVEVCORIQNDMCO-UHFFFAOYSA-N	236.336	3.227	0	50	BGAA	
CC(C)(C)OC(=O)Nc1c(F)cccc1F	2526739	QBRORDIPGULCFR-UHFFFAOYSA-N	229.226	3.312	0	50	BGAA	in-vitro
OCc1cc(C(F)(F)F)ccc1C(F)(F)F	2569904	IFJMDKFBPFFXPC-UHFFFAOYSA-N	244.134	3.217	0	50	BGAA	
C[C@H](NC(N)=O)c1ccc(-c2ccccc2)cc1	2902026	DAJLEYAIEUBXKT-NSHDSACASA-N	240.306	3.083	0	50	BGAA	
CCOc1ccc([C@H](C)NC(=O)C2CCC2)cc1	2995378	BWXLTBUDLFHTQR-NSHDSACASA-N	247.338	3.063	0	50	BGAA	
CCc1ncc(C(F)(F)F)cc1Cl	3125435	GPPKRUINKZWCKQ-UHFFFAOYSA-N	209.598	3.316	0	50	BGAA	in-vitro
O=C(c1ccccc1)N1CCC[C@@H]2CCC[C@H]21	3160035	YJJWSCUKMWSVTL-GXTWGEPZSA-N	229.323	3.091	0	50	BGAA	
c1snnc1C12CC3CC(CC(C3)C1)C2	6697875	YWPMUERIBFGRJQ-UHFFFAOYSA-N	220.341	3.006	0	50	BGAA	
CC1CCN(c2ccc(C(F)(F)F)cn2)CC1	20638823	OJKDVUGWGCSWGE-UHFFFAOYSA-N	244.260	3.337	0	50	BGAA	
CC(C)(C)c1ccnc(Br)c1	39416188	JOACEYFXFYWUIK-UHFFFAOYSA-N	214.106	3.142	0	50	BGAA	in-vitro
Fc1ccc2c(Cl)nnc(Cl)c2c1	115239309	JDYKLDHGCUOCSB-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	in-vitro
O=Cc1ccc(F)c(OC2CCCCC2)c1	169726154	ZROZHLQIAIUFLD-UHFFFAOYSA-N	222.259	3.350	0	50	BGAA	
O=C([C@@H]1CC=CCC1)N1CC[C@@H]2CCCC[C@@H]21	581490170	AAHGGBLRBJFRJH-MJBXVCDLSA-N	233.355	3.134	0	50	BGAA	
Cc1nc2cc(-c3cc(N)ccn3)ccc2s1	1243935587	YDJJEHBOUNSBRJ-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
CCO[C@H](C)c1ccc(-c2cccc(N)n2)cc1	1506422010	YXVDEUXHYRRYIL-LLVKDONJSA-N	242.322	3.428	0	50	BGAA	
Cc1c[nH]c2nccc(C=C3CCOCC3)c12	2325777991	VCPOCRKXDBXMPG-UHFFFAOYSA-N	228.295	3.065	0	50	BGAA	
Cc1cnc2[nH]ccc(-c3ccnn3C(C)C)c1-2	2325792031	WRTREQHBNYGLKI-UHFFFAOYSA-N	240.310	3.267	0	50	BGAA	
CCC[C@H](C)NC(=O)Cc1ccc(Cl)cc1	30759	BNRDXCWHFAVAPC-JTQLQIEISA-N	239.746	3.187	0	50	BGAA	
O=C(O)Cc1csc2ccc(Cl)cc12	162019	QQKKTOPRRGBBCT-UHFFFAOYSA-N	226.684	3.182	0	50	BGAA	in-vitro
Cc1ccc(C(=O)CC(=O)c2ccccc2)cc1	275248	NWJSOXKGXZRQNV-UHFFFAOYSA-N	238.286	3.451	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2C)cc1	1257521	WBJSBOHFQLCHGX-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	
CCOC(=O)c1c(Cl)cccc1Cl	2243826	HAFAMHIZRCDTSS-UHFFFAOYSA-N	219.067	3.170	0	50	BGAA	
C=C=C/C=C/C=C\Oc1cc(C=O)ccc1OC	5045459	YCOSKTGFSRFDCN-LXGGSRJLSA-N	242.274	3.298	0	50	BGAA	
CC[C@@H](NC)c1ccc(Br)cc1	11757530	WGEDWIJMOODFIG-SNVBAGLBSA-N	228.133	3.120	0	50	BGAA	in-vitro
Cc1ccc(O)c(NC(=O)c2ccc(F)cc2)c1	12020575	SZDWHPJCJMDNIW-UHFFFAOYSA-N	245.253	3.092	0	50	BGAA	
COc1ccc(NC(=O)c2ccoc2C)c(C)c1	13326886	AEBLDHBGCCMEKB-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
Cc1ccc([C@@H](C)NC(=O)C(C)C)cc1C	13331968	KUUDFVBDGKTAQA-GFCCVEGCSA-N	219.328	3.137	0	50	BGAA	
CC(C)(C)OC(=O)c1ccccc1Cl	39303990	NCFFMZYBEYTOBF-UHFFFAOYSA-N	212.676	3.295	0	50	BGAA	
Cc1ccc(Nc2ncc(C(=O)O)s2)c(C)c1	148758479	IFEKVTPAWCZLGE-UHFFFAOYSA-N	248.307	3.202	0	50	BGAA	
CCCOc1cc(O)cc(OC(F)(F)F)c1	261494467	YGVKQLZUYJMAMD-UHFFFAOYSA-N	236.189	3.080	0	50	BGAA	
C=CC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1	585140749	MWNDORQWIPWZRU-HOCLYGCPSA-N	241.334	3.100	0	50	BGAA	
Cc1cc(C(C)(C)C)cc(C)c1C(=O)O	108404	BEVOWXHJERCALW-UHFFFAOYSA-N	206.285	3.299	0	50	BGAA	
Cc1ccc(Cl)cc1NC(=O)c1cccnc1	438050	FKFCCRVHKJJVCM-UHFFFAOYSA-N	246.697	3.296	0	50	BGAA	
Cc1c(Cl)cccc1Br	2600065	DMARBQGIQKLIPM-UHFFFAOYSA-N	205.482	3.411	0	50	BGAA	in-vitro
CC[C@H](C)NCCOc1cc(C)cc(C)c1C	2824046	XIUBFULPZMVJOZ-ZDUSSCGKSA-N	235.371	3.379	0	50	BGAA	
CCCCNCCCOc1ccc(C)cc1C	2901789	GMCMESODUPPJPR-UHFFFAOYSA-N	235.371	3.462	0	50	BGAA	
CCN(CC)CCN(CC)Cc1cccc(C)c1	22027575	QDUSMAOEXSBGFD-UHFFFAOYSA-N	248.414	3.159	0	50	BGAA	
CCCCc1ccc([C@H](C)C(=O)O)cc1	36157911	FEFPDZIYEWFQFK-JTQLQIEISA-N	206.285	3.217	0	50	BGAA	in-vitro
NCc1ccc(C(F)(F)F)cc1C(F)(F)F	38529588	UOECFUQLAZNQIL-UHFFFAOYSA-N	243.150	3.183	0	50	BGAA	
CC(C)(C)c1cccc(C(C)(C)C(=O)O)c1	66349007	UIEUGESJSVWLTM-UHFFFAOYSA-N	220.312	3.346	0	50	BGAA	in-vitro
c1ccc(COc2ccnc3[nH]ccc23)cc1	82046709	YOCMXYXIFHGFSP-UHFFFAOYSA-N	224.263	3.142	0	50	BGAA	in-vitro
CC1(C)CNc2c(Br)cccc21	82600329	FNHPWHSBZJRQTK-UHFFFAOYSA-N	226.117	3.152	0	50	BGAA	in-vitro
C[C@H](NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccccc1	174687123	BWSJVURPHFFHSN-IACUBPJLSA-N	243.350	3.300	0	50	BGAA	
C[C@@H]1CC(C)(C)C[C@@H]1NCCc1cscn1	192391327	ZCANNTWZCNKBDG-PWSUYJOCSA-N	238.400	3.100	0	50	BGAA	
Cc1cc(F)ccc1-c1noc(C2CCC2)n1	273739091	BOLSZOKAJTYHAS-UHFFFAOYSA-N	232.258	3.452	0	50	BGAA	
C=CC(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1	1335866670	KCYDNYNWAHDKSZ-LSDHHAIUSA-N	243.350	3.357	0	50	BGAA	
Fc1cccc2ncc(-c3ccns3)cc12	1875244602	PEKDWAGUYAAUJH-UHFFFAOYSA-N	230.267	3.497	0	50	BGAA	
COc1ccc(Cl)cc1NC(=O)C=C(C)C	149013	ZEPLCKNICSMDEY-UHFFFAOYSA-N	239.702	3.253	0	50	BGAA	
CCC(=O)c1ccc(C(F)(F)F)cc1	156235	QFKOWENRSZZLPK-UHFFFAOYSA-N	202.175	3.298	0	50	BGAA	in-vitro
O=C(O)C[C@H](Cc1ccccc1)c1ccco1	317896	JHHKVXLMSCXJQL-LBPRGKRZSA-N	230.263	3.081	0	50	BGAA	in-vitro
C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cccs1	376588	PLSHPWORDTXRNN-UULPFXLMSA-N	249.379	3.456	0	50	BGAA	
CC(C)NC(=O)c1ccccc1-c1ccccc1	618305	DLBJFXIPEFDCND-UHFFFAOYSA-N	239.318	3.492	0	50	BGAA	
CCNC(=O)CCc1ccc(C(C)(C)C)cc1	10333759	SELYPIFGEJTKEL-UHFFFAOYSA-N	233.355	3.053	0	50	BGAA	
Cc1ccc2ccccc2c1C(C)(C)O	39185769	VKWOTZOVRFYMHL-UHFFFAOYSA-N	200.281	3.376	0	50	BGAA	
CCOC(=O)CCCOc1cccc(C)c1C	95802949	CGSHHIFVWDGTQL-UHFFFAOYSA-N	236.311	3.026	0	50	BGAA	
C[C@@H]1CCC[C@H]1Nc1nccc(C(F)(F)F)n1	112828222	IESBHNSGZUNGLY-HTQZYQBOSA-N	245.248	3.096	0	50	BGAA	
C/C=C/[C@@H]1OC[C@@H]2[C@H](C)[C@@H]1C(C)=C[C@H]2C	135905549	KZCLQQNWIIUXOP-CPNIODNMSA-N	206.329	3.426	0	50	BGAA	
CC/C=C/CCSC1=NCCS1	185150370	ZRDDPQBLCHRGCI-ONEGZZNKSA-N	201.360	3.179	0	50	BGAA	
Cc1ccc([C@H](C)CC[C@@H](O)C(C)(C)O)cc1	214550746	BHAUXXMLNYMKFX-TZMCWYRMSA-N	236.355	3.011	0	50	BGAA	biogenic
Fc1cc(Br)nc(C(F)(F)F)c1	258839736	WIGFBCGPTOBXLQ-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
CCN(C(=O)c1ccccc1)c1ccccc1	29146	VSURRQZMKWVYIC-UHFFFAOYSA-N	225.291	3.353	0	50	BGAA	
O=C(Nc1ccccc1)N1CCCCCC1	83894	YGUWAHCMYJKNOH-UHFFFAOYSA-N	218.300	3.095	0	50	BGAA	
Nc1nc(Cl)c(-c2ccccc2)c(Cl)n1	370183	YFXUIRSMMHPSLE-UHFFFAOYSA-N	240.093	3.033	0	50	BGAA	
CCOc1ccccc1NC(=O)C1CCCC1	383712	MKWRZTCQLRQGIP-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
S=C(Nc1ccc(Cl)cc1)N1CCCC1	458795	LVHGUQLXXKLICG-UHFFFAOYSA-N	240.759	3.133	0	50	BGAA	
CC(=O)c1ccc2c(c1)Cc1ccccc1-2	1038914	IBASEVZORZFIIH-UHFFFAOYSA-N	208.260	3.460	0	50	BGAA	in-vitro
Cc1ccc2[nH]cc([C@@H](O)C(F)(F)F)c2c1	5710490	GVUZWDIAOFAGTO-SNVBAGLBSA-N	229.201	3.072	0	50	BGAA	
Nc1cc(-c2cccs2)nn1-c1ccccc1	13013718	BZGSXFFNBNQVJN-UHFFFAOYSA-N	241.319	3.183	0	50	BGAA	
CC1=C[C@H](C)[C@@H](CNCC(C)C)[C@H](C)C1	13765228	LYDDCMLXSZPXMZ-BFHYXJOUSA-N	209.377	3.470	0	50	BGAA	
CC(C)(C)OC(=O)c1cc(Cl)nc(Cl)c1	16124403	PLRVIRHWKQKSAK-UHFFFAOYSA-N	248.109	3.344	0	50	BGAA	in-vitro
Cc1ccc(-c2ccccc2C(=O)O)cc1F	65339733	GQJRYTXTCLCBMJ-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
Oc1ccc(-c2nccc3ncccc23)cc1	65526362	GXKPIQWSUDZFDX-UHFFFAOYSA-N	222.247	3.002	0	50	BGAA	
c1ccc(CCN[C@@H]2C[C@H]3CC[C@H]2C3)cc1	100939278	UOJWJKSWEPSVQD-SOUVJXGZSA-N	215.340	3.007	0	50	BGAA	
C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC=CCC1	229521105	JMIXFUHQAGMRJT-JHJVBQTASA-N	221.344	3.038	0	50	BGAA	
COc1cc(C)c(-c2ncc(C)o2)cc1C	1616036714	UQRSZMGVWPCMQP-UHFFFAOYSA-N	217.268	3.275	0	50	BGAA	
O=C1C[C@H](c2ccccc2)Oc2ccccc21	58113	ZONYXWQDUYMKFB-OAHLLOKOSA-N	224.259	3.393	0	50	BGAA	biogenic,in-vivo
CC(C)(C)c1ccc([C@@H]2C[C@@H]2C(=O)O)cc1	372165	ANPQFLQUUUWDQU-RYUDHWBXSA-N	218.296	3.172	0	50	BGAA	in-vitro
CC(=O)Nc1ccc(C)c(Br)c1C	402091	WWGRQPTVFYXSQS-UHFFFAOYSA-N	242.116	3.024	0	50	BGAA	
ClC1(Cl)C[C@H]1Cn1cnc2ccccc21	462852	FBNDWKBWMYAYLR-QMMMGPOBSA-N	241.121	3.230	0	50	BGAA	
CCNC(=S)Nc1cccc2ccccc12	1232423	DHIZARPESAKEPW-UHFFFAOYSA-N	230.336	3.146	0	50	BGAA	
Fc1ccccc1OCCCN1CCCCC1	2497101	JODOMTDMZBPPRN-UHFFFAOYSA-N	237.318	3.081	0	50	BGAA	
Cc1ccc(OCCCNC(C)(C)C)c(C)c1	5538633	XXGMDESEVTXHAQ-UHFFFAOYSA-N	235.371	3.460	0	50	BGAA	
Cc1ccc(NC(=O)NC2CCCC2)c(C)c1	6725463	ZAIDJKPYCBRGHA-UHFFFAOYSA-N	232.327	3.368	0	50	BGAA	
O=C(Nc1ccon1)c1ccc2ccccc2c1	13745714	YKSGZWFXRZTCOL-UHFFFAOYSA-N	238.246	3.080	0	50	BGAA	
COc1ccc(COc2cccc(Cl)n2)cc1	38536985	KZADIUOCLPMBGX-UHFFFAOYSA-N	249.697	3.323	0	50	BGAA	in-vitro
CC(C)Oc1nc2ccccc2nc1Cl	71774062	JCYUFVUCOLXACE-UHFFFAOYSA-N	222.675	3.070	0	50	BGAA	
C[C@@H]1CCO[C@@H]1c1nc(C2CCCCC2)no1	128725995	NZWQQYNNIBPJOT-KOLCDFICSA-N	236.315	3.215	0	50	BGAA	
O=Cc1ccc(-c2ccc(Cl)cn2)cc1	209781225	LZEWKCMPTGYPNK-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	
FC(F)Oc1ccc(C(F)(F)F)nc1Cl	238526613	MQNKOXWVGWZHBF-UHFFFAOYSA-N	247.550	3.355	0	50	BGAA	
C[C@@H]1[C@@H](NCc2ccco2)CCC[C@H]1C	245204247	GWSWIBYDUGAKRG-MDZLAQPJSA-N	207.317	3.194	0	50	BGAA	
Cc1cc(N)ccc1-c1ccc(N)cc1C	57105	QYIMZXITLDTULQ-UHFFFAOYSA-N	212.296	3.135	0	50	BGAA	biogenic,in-vitro
Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1	198482	BGPSLCKBFGPVES-UHFFFAOYSA-N	243.697	3.466	0	50	BGAA	
O=C(O)CSc1c(Cl)cccc1Cl	2169237	URNRRSJGOOTQBO-UHFFFAOYSA-N	237.107	3.170	0	50	BGAA	in-vitro
CCOc1ccc(C(=O)c2ccccc2)c(O)c1	2526519	JAFUHGPESJSRJX-UHFFFAOYSA-N	242.274	3.022	0	50	BGAA	
O=C1CCc2c1cccc2-c1ccccc1	4974385	OTSJZOYSLXXFPG-UHFFFAOYSA-N	208.260	3.483	0	50	BGAA	
CC1CCC2(CC1)CC(=O)c1ccc(O)cc1O2	11766596	DFXURMDUNBMQPF-UHFFFAOYSA-N	246.306	3.306	0	50	BGAA	biogenic
O=C(O)c1ccc(-c2ccccc2)nc1Cl	12357248	ZHWAGNKLAHEMRF-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	
Nc1ccc(Sc2ccccc2)c(C(=O)O)c1	37933700	MKSHKRLNPIFOSW-UHFFFAOYSA-N	245.303	3.118	0	50	BGAA	
Cc1ccc(-c2cccc(-n3cnnc3)c2)cc1	65398437	DYAANROSGMYSFE-UHFFFAOYSA-N	235.290	3.243	0	50	BGAA	
CC[C@@H]1[C@H](C)CCN1C(=O)CC1CCCC1	170598945	XNBQZIUNBICIGC-DGCLKSJQSA-N	223.360	3.214	0	50	BGAA	
CCCCOc1cc(O)ccc1Cl	207325972	DPIPFTRPGAGKQH-UHFFFAOYSA-N	200.665	3.225	0	50	BGAA	
Cc1ccc(CN2CCC[C@H]2c2cccnc2)o1	336448066	XVOJDVJRWGYAAS-HNNXBMFYSA-N	242.322	3.320	0	50	BGAA	
Cc1nc(Cc2ccc(Cl)cc2Cl)n[nH]1	1857531519	LMMDUMDVQLWMLQ-UHFFFAOYSA-N	242.109	3.011	0	50	BGAA	
Cc1ccc(C)c(NCc2ccncc2)c1	293145	QSTOOHTUNPLXOZ-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
Cc1ccc(NCCc2ccccn2)c(C)c1	396790	XPHASOHZPUEOEG-UHFFFAOYSA-N	226.323	3.353	0	50	BGAA	
Cc1c(C)c2ccc(OC(C)C)cc2oc1=O	459350	AIMDZKOQJAYPOR-UHFFFAOYSA-N	232.279	3.197	0	50	BGAA	
CCOC(=O)c1[nH]c(C)c2c1CCCCCC2	2519428	DCKGEWDAJCANSE-UHFFFAOYSA-N	235.327	3.159	0	50	BGAA	
CC(C)(C)[C@@]1(C(F)(F)C(F)(F)F)CCCN1	4234951	GCGLXVQHXLANBF-MRVPVSSYSA-N	245.235	3.352	0	50	BGAA	
Cc1cc(OCCN(C)C)ccc1C(C)C	4915491	YJEQYDAYZMEYEP-UHFFFAOYSA-N	221.344	3.059	0	50	BGAA	
O=C(O)c1cncc(-c2ccc(Cl)cc2)c1	12955803	BYZIYNPOAGZGJW-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
COc1cccc(-c2cccc(O)c2)c1	16946983	BBXKOSUDMWVFIK-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	
Fc1cc(F)c(S)c(Br)c1	36532998	KDIDVHAHPPNRGO-UHFFFAOYSA-N	225.057	3.016	0	50	BGAA	
CCc1nc(NC2CC2)c2cc(CC)sc2n1	41091008	HNVHZUIWULOCIV-UHFFFAOYSA-N	247.367	3.390	0	50	BGAA	
Cc1cc(C)c(-c2ccnc(C)n2)c(C)c1	65398316	ABRICGKHCAKXPR-UHFFFAOYSA-N	212.296	3.377	0	50	BGAA	
Cc1ccc(O)c(-c2cccc3c2CCNC3)c1	71416238	VPYZLAZWFSSNCD-UHFFFAOYSA-N	239.318	3.013	0	50	BGAA	
O=C1CC=C(c2cccc3ccccc23)O1	100008475	KSFLWMPJLKCMBH-UHFFFAOYSA-N	210.232	3.128	0	50	BGAA	in-vitro
Cc1ccc(NCc2ccc(O)cc2)cc1	397688	ZZPLTGDBAAQGMZ-UHFFFAOYSA-N	213.280	3.313	0	50	BGAA	in-vitro
CC1(C)C[C@@H](C(=O)Cc2ccccc2)CCO1	500703	HGSNTPSHWYITNG-ZDUSSCGKSA-N	232.323	3.003	0	50	BGAA	
Clc1cccc(CNCc2ccco2)c1	810246	BKOHWMDFYTVGML-UHFFFAOYSA-N	221.687	3.223	0	50	BGAA	
O=Cc1ccc(-n2cc(C=O)c3ccccc32)cc1	1394876	BUODRSAVHPDUHP-UHFFFAOYSA-N	249.269	3.256	0	50	BGAA	
Cc1cc(C)c(C)c(OCCCn2ccnc2)c1	2497159	KHQXJRWJHCVXGZ-UHFFFAOYSA-N	244.338	3.277	0	50	BGAA	
C[C@H]1CCCCN1C(=O)Nc1ccccc1F	6416592	HCFOWNGNAZQPQA-JTQLQIEISA-N	236.290	3.232	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)C(C)C)cc1C	13331967	KUUDFVBDGKTAQA-LBPRGKRZSA-N	219.328	3.137	0	50	BGAA	
O=c1cc(/C=C/c2ccco2)[nH]c2ccccc12	15016882	YBPOLKAPAQAKEG-BQYQJAHWSA-N	237.258	3.292	0	50	BGAA	
COC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1	21986245	ZFYFBPCRUQZGJE-JTQLQIEISA-N	244.290	3.125	0	50	BGAA	in-vitro
CCC[C@]1(c2ccccc2)CCN(C)C1	33868504	KIOMVBQNULLWJJ-AWEZNQCLSA-N	203.329	3.060	0	50	BGAA	
Cc1cc(O)cc(OCc2ccccc2)c1	34597476	HQOPQGDDTOUNDP-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	
CC(C)=CCSCc1ncnn1C(C)(C)C	253398388	UVVBCJSYNSGITQ-UHFFFAOYSA-N	239.388	3.233	0	50	BGAA	
Clc1cccnc1-c1cccc2ccnn12	534670879	NCNRGLJMYCJLDH-UHFFFAOYSA-N	229.670	3.050	0	50	BGAA	
CC(=O)c1ccc(CN2C3CCC2CC3)cc1	725377919	HIKAQTAXNCFGND-UHFFFAOYSA-N	229.323	3.016	0	50	BGAA	
O=C(O)c1cccc(-c2ccc(F)c(F)c2)c1	2513038	AMNVOFVBUORNRG-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
COc1c(Cl)cc(F)cc1Br	2527875	INSGMVAPTMIFKL-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	
C(=C/c1ccco1)\c1nc2ccccc2[nH]1	3904651	LPLLNBVBHIZVJV-BQYQJAHWSA-N	210.236	3.326	0	50	BGAA	
COc1ccc2c(c1)[nH]c1c(C)nccc12	18847046	BXNJHAXVSOCGBA-UHFFFAOYSA-N	212.252	3.033	0	50	BGAA	aggregator,endogenous,in-man
CN(C)c1cccc(-c2nc3ccccc3[nH]2)c1	26474395	PHVGLZYQMUYOJH-UHFFFAOYSA-N	237.306	3.296	0	50	BGAA	
Cc1csc(C(=O)c2ccc(Cl)cc2)n1	32004942	KBZKCJDERXTAIV-UHFFFAOYSA-N	237.711	3.336	0	50	BGAA	
CC1(C)CNc2cccc(Br)c21	66054813	WRJRWRRMADSCCD-UHFFFAOYSA-N	226.117	3.152	0	50	BGAA	in-vitro
CCC(CC)Nc1ccc([S@@](C)=O)cc1	132285215	UVHZNFKOGYRGEY-HNNXBMFYSA-N	225.357	3.025	0	50	BGAA	
C=CC(=O)N1CC(C)(C)c2ccc(Cl)cc21	888098788	PNYWEYUTWRXIIS-UHFFFAOYSA-N	235.714	3.150	0	50	BGAA	
O=C(c1ccoc1)N1CC[C@H]1c1ccc(F)cc1	1453034543	XJSJDVXNSPBZOC-ZDUSSCGKSA-N	245.253	3.006	0	50	BGAA	
CC1(C)CC[C@H]1c1ccc(C(=O)O)cc1	1857783318	BAEPPQCWFJINID-NSHDSACASA-N	204.269	3.288	0	50	BGAA	
CC(C)=CC(=O)Nc1ccc(Cl)cc1	73747	XJTVYHTYJJPRMI-UHFFFAOYSA-N	209.676	3.245	0	50	BGAA	
CCC(=O)c1cc(Cl)cc(Cl)c1O	158046	OYUBSDJHAZSFHZ-UHFFFAOYSA-N	219.067	3.292	0	50	BGAA	in-vitro
Cc1ccc(C(=O)N[C@H](C)c2ccccc2)o1	375229	YBISWKNCLVOFBM-LLVKDONJSA-N	229.279	3.079	0	50	BGAA	
COc1ccc(Cl)cc1NC(=O)C(C)(C)C	401934	RVXZNPWMULNYBP-UHFFFAOYSA-N	241.718	3.333	0	50	BGAA	
CCCNC(=O)c1ccc(Cl)c(Cl)c1	1597740	JGGLHTRYIITBNL-UHFFFAOYSA-N	232.110	3.133	0	50	BGAA	
c1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1	18190140	KPKQWXGFEKRQQA-UHFFFAOYSA-N	221.263	3.139	0	50	BGAA	
CC(=O)Nc1cc(C)nc2c(C)cc(C)cc12	40177081	NOGMDHCVTAQXEZ-UHFFFAOYSA-N	228.295	3.118	0	50	BGAA	
Cc1ccccc1[C@H](C)NC(=O)C1CCCC1	42162434	OCUXSSJFMLGOOI-LBPRGKRZSA-N	231.339	3.362	0	50	BGAA	
COc1ccc(N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC	103216599	JDAYJHHMINLLTB-GMXVVIOVSA-N	247.338	3.304	0	50	BGAA	
Cc1cccc(NC(=O)c2ccccc2N)c1C	124773	HPTLYBZCELMYHK-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
O=C(c1ccccc1)[C@@H]1O[C@H]1c1ccccc1	139137	UQGMJZQVDNZRKT-GJZGRUSLSA-N	224.259	3.009	0	50	BGAA	in-vitro
CCN(CC)CCOc1cc(C)ccc1C	182434	PNCJPZZWFHTPLA-UHFFFAOYSA-N	221.344	3.024	0	50	BGAA	
O=C(NC1CCCCC1)[C@@H]1C[C@@H]1c1ccccc1	276324	VSJGIFGDUPGZCZ-HUUCEWRRSA-N	243.350	3.239	0	50	BGAA	
CCCC(=O)Nc1ccc(Cl)cc1OC	397836	NFZQGGINHWUBTQ-UHFFFAOYSA-N	227.691	3.087	0	50	BGAA	
CC[C@@H](CCc1ccccc1)N1CCCC1	96027035	UFPGTHNPRQOVGO-HNNXBMFYSA-N	217.356	3.494	0	50	BGAA	
C[C@H]1CCCC[C@@H]1NC(=O)Nc1ccccc1	395841	JXVIIQLNUPXOII-AAEUAGOBSA-N	232.327	3.387	0	50	BGAA	in-vitro
CC[C@@H](O)Cc1cccc2ccccc12	3137132	LIASRJOGPSYKMP-CYBMUJFWSA-N	200.281	3.153	0	50	BGAA	
CCOc1ccc(N(C(C)C)C(C)C)cn1	4352786	RASGFJRDXYRXAJ-UHFFFAOYSA-N	222.332	3.104	0	50	BGAA	in-vitro
O=C(CC12CC3CC(CC(C3)C1)C2)n1cccn1	4749577	DGCNBGAYSXUVOC-UHFFFAOYSA-N	244.338	3.130	0	50	BGAA	
Cc1cc(C)c(C)c(OCCN2CCCC2)c1	4989959	HIINZTXGDATQET-UHFFFAOYSA-N	233.355	3.086	0	50	BGAA	
CC(C)=CCC1=CCC2(CC1)OCCO2	45071645	UUYRSWULACEOIZ-UHFFFAOYSA-N	208.301	3.196	0	50	BGAA	
C[C@H](F)c1ccccc1Br	63360990	NJHZIPCIIIZAJJ-LURJTMIESA-N	203.054	3.480	0	50	BGAA	
Clc1ccc(I)s1	66338749	IJEUNSXYUQTZPT-UHFFFAOYSA-N	244.484	3.006	0	50	BGAA	
Cc1ccc(F)cc1CNCc1ccoc1	163235502	AMHKBAVNWQLBIS-UHFFFAOYSA-N	219.259	3.017	0	50	BGAA	
Fc1cccc2c([C@H]3CCCOC3)c[nH]c12	255188381	JQIWFJKVLCVHTE-VIFPVBQESA-N	219.259	3.201	0	50	BGAA	
COC1(C[C@H](C)NCc2ccccc2)CCC1	408514648	LWWVZXZCJQNJGV-ZDUSSCGKSA-N	233.355	3.124	0	50	BGAA	
CO[C@@H](C)c1ccc(-c2ccnc(O)c2)cc1	1506430522	XICQEOMLZPZMLG-JTQLQIEISA-N	229.279	3.162	0	50	BGAA	
Cc1ccc(C)c(-c2cnc3cnccn23)c1	2356155177	AGGRFWXURLZUBL-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	
N[C@H](c1ccccc1)c1ccc(Cl)cc1	155170	XAFODXGEQUOEKN-CYBMUJFWSA-N	217.699	3.388	0	50	BGAA	in-vitro
COc1cccc(NC(=O)c2cccs2)c1	290635	ZSPOYUQATHVQLV-UHFFFAOYSA-N	233.292	3.009	0	50	BGAA	
COC(=O)Nc1sc(C)nc1-c1ccccc1	323795	WVXKXRCDQRXTDH-UHFFFAOYSA-N	248.307	3.297	0	50	BGAA	
COc1cc2[nH]c(C(=O)O)cc2c2ccccc12	4234967	SCZZYRMPWQXTEF-UHFFFAOYSA-N	241.246	3.028	0	50	BGAA	
COc1ccc(CN2N=C(C)CC2(C)C)cc1	4783666	JPCKVSVDOGJQIT-UHFFFAOYSA-N	232.327	3.055	0	50	BGAA	
C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1	6697522	WOIRCKJMSPMDAM-SNVBAGLBSA-N	221.300	3.272	0	50	BGAA	
Nc1nc(=S)c(-c2ccccc2Cl)c[nH]1	19891218	WLNUGNCRBWJZRX-UHFFFAOYSA-N	237.715	3.042	0	50	BGAA	
CCCNCCOc1ccc(Cl)cc1Cl	20361256	AEXSFFDZEFPDOZ-UHFFFAOYSA-N	248.153	3.372	0	50	BGAA	
CCOC(=O)c1cccnc1Nc1ccccc1	34252801	GEKGMJRAYIKWAR-UHFFFAOYSA-N	242.278	3.002	0	50	BGAA	
O=C1Nc2ccccc2Cc2ccc(Cl)cc21	39619524	DYTRFLBCOSTVRO-UHFFFAOYSA-N	243.693	3.497	0	50	BGAA	
O=C1CCC23CCC4(CC4)C12C1(CC3)CC1	45071518	XXJSNKVTXQVNIU-UHFFFAOYSA-N	216.324	3.470	0	50	BGAA	
COc1cccc(Cl)c1-c1cc(C)cnc1N	65452699	VXGNVXZDPYAGRV-UHFFFAOYSA-N	248.713	3.301	0	50	BGAA	
Oc1ccc2cc(Br)cc(F)c2c1	71863640	NDCOKFWKXFDSKD-UHFFFAOYSA-N	241.059	3.447	0	50	BGAA	
Clc1ccc2[nH]c3ncnc(Cl)c3c2c1	91692761	DVHDVRMZBIAUIN-UHFFFAOYSA-N	238.077	3.418	0	50	BGAA	
Cc1cc(F)cc2c(C=O)cn(C3CC3)c12	140790237	BTWUESOVEMJNCV-UHFFFAOYSA-N	217.243	3.236	0	50	BGAA	
Cc1c(Cl)ccc(/C=C/C(=O)O)c1Cl	146590563	GOSPIYACQCNKRK-HWKANZROSA-N	231.078	3.400	0	50	BGAA	
COc1ccc(NC(=O)N2CCC[C@H]2C)c(C)c1	175979664	KLGOAUQZDYGNAN-LLVKDONJSA-N	248.326	3.020	0	50	BGAA	
CCC(F)(F)CCSc1ncccn1	1775992697	UFEAQHXVEGPWSA-UHFFFAOYSA-N	218.272	3.004	0	50	BGAA	
CS(C)(=O)=Nc1nc(C2CCCC2)cs1	1775992910	WHGFWIWOXVOFTO-UHFFFAOYSA-N	244.385	3.160	0	50	BGAA	
Nc1ccccc1NC(=O)c1ccccc1Cl	51363	JSUFEUYVWRXIEC-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
CC(=O)[C@@H](C)Oc1cccc(C(F)(F)F)c1	170471	RUTXCSFBVGGQFH-MRVPVSSYSA-N	232.201	3.062	0	50	BGAA	
CC[C@H](NC(=O)C1CCC1)c1ccccc1	371577	KEEDDACEYQLHIH-ZDUSSCGKSA-N	217.312	3.054	0	50	BGAA	
CCOc1ccc(NCc2ccc(O)cc2)cc1	397716	GTNILLCINNOVIF-UHFFFAOYSA-N	243.306	3.403	0	50	BGAA	
COc1ccc(Cl)c(C(F)(F)F)c1	2382046	HUFKNQCAJLSTLH-UHFFFAOYSA-N	210.582	3.367	0	50	BGAA	
Cc1ccc(Cl)c(C(=O)O)c1Cl	4775590	AZSPVSLYCSUHIT-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	in-vitro
COc1cc(Cl)c(C)cc1NC(=O)C1CC1	7348723	OCRVSJPDRMOIGH-UHFFFAOYSA-N	239.702	3.006	0	50	BGAA	
Cc1ccc(O)c([C@@H](CCO)c2ccccc2)c1	34584247	MJPIYYRDVSLOME-AWEZNQCLSA-N	242.318	3.215	0	50	BGAA	in-vitro
C1=CCN(C23CC4CC(CC(C4)C2)C3)CC1	65336775	LWDGRXBMYBLVIV-UHFFFAOYSA-N	217.356	3.217	0	50	BGAA	
Cc1ncccc1CN1CCC2(CCCC2)C1	93336675	MSDTUCJTPRBHSH-UHFFFAOYSA-N	230.355	3.156	0	50	BGAA	
C[C@H](CN(C)Cc1nccs1)c1ccccc1	175106550	LBUOQRKFYLQKOC-GFCCVEGCSA-N	246.379	3.379	0	50	BGAA	
COc1ccccc1C(=O)Nc1cccc(F)c1	96525	HHLYBVWIUUMIBQ-UHFFFAOYSA-N	245.253	3.087	0	50	BGAA	
O=C(NC1CCCCCCC1)c1ccco1	290785	IPJRKZXWEJJHPH-UHFFFAOYSA-N	221.300	3.122	0	50	BGAA	
CC(C)(C)CC(=O)Nc1ccc(F)c(F)c1	372719	MSSNRORGNFHXEU-UHFFFAOYSA-N	227.254	3.340	0	50	BGAA	
O=c1c(O)c(-c2cccs2)oc2ccccc12	609706	SRHIOWDJRLUYLG-UHFFFAOYSA-N	244.271	3.227	0	50	BGAA	
O=Cc1ccc2noc(-c3ccc(F)cc3)c2c1	1407012	CLSSGBGDXLYJRM-UHFFFAOYSA-N	241.221	3.446	0	50	BGAA	
CN(C)C[C@@H](Oc1ccccc1)c1ccccc1	1455881	LXDNEYZYEWIFMH-MRXNPFEDSA-N	241.334	3.368	0	50	BGAA	
CCCCNCCOc1ccc(CC)cc1	2932165	OSFPAYTZJBHUIN-UHFFFAOYSA-N	221.344	3.018	0	50	BGAA	
SC1=NC2(CCCCC2)N=C1c1ccccc1	8682860	QFNMCEHDUIVPLO-UHFFFAOYSA-N	244.363	3.478	0	50	BGAA	
CC[C@H]1CCC(=O)C[C@@H]1OC1CCCC1	725363047	WXVRYPLBMZIGGA-GWCFXTLKSA-N	210.317	3.093	0	50	BGAA	
O=C(O)c1cc2c(ccc3ccccc32)o1	201582	QVRZMUFOHNANGY-UHFFFAOYSA-N	212.204	3.284	0	50	BGAA	in-vitro
O=c1cc(-c2ccco2)oc2ccccc12	265703	BAYZQQMFPJBSGC-UHFFFAOYSA-N	212.204	3.053	0	50	BGAA	biogenic
Cc1ccc(O)c(NC(=O)Nc2ccccc2)c1	406689	DINVTANMWPOOQQ-UHFFFAOYSA-N	242.278	3.345	0	50	BGAA	
O=C(O)c1ccc2oc3ccccc3c2c1	4582883	UGKPZVGCVIWBNX-UHFFFAOYSA-N	212.204	3.284	0	50	BGAA	
Cc1ccccc1NC(=O)N1CCC[C@H](C)C1	6703136	NQXDRTIDKGRVGA-NSHDSACASA-N	232.327	3.259	0	50	BGAA	
Cc1ccc(-c2cccc(N)c2)cc1F	38537361	JFIPPNBURNZKRO-UHFFFAOYSA-N	201.244	3.383	0	50	BGAA	
Oc1ccc(CNC2CCCCC2)cc1Cl	43476620	HGIMLQKHXQSKOZ-UHFFFAOYSA-N	239.746	3.468	0	50	BGAA	
COc1cc(-c2cccc(C(=O)O)c2)ccc1F	65336981	PTKMRNVMDXMWGA-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CSC(=S)c1cc(F)ccc1F	114618853	BRGIHOPYNRNMDQ-UHFFFAOYSA-N	204.266	3.003	0	50	BGAA	in-vitro
CC(C)(CCO)Nc1ccc(C(F)(F)F)cc1	142223410	VOUKLDFTSAELPS-UHFFFAOYSA-N	247.260	3.278	0	50	BGAA	
CC(=O)c1ccc2cnc(Cl)cc2c1	148983141	BIEHIVQYNGSJBU-UHFFFAOYSA-N	205.644	3.091	0	50	BGAA	
CC[C@H](N[C@H](C)c1cccc(O)c1)[C@H]1CCCO1	249544736	JZEKZNXUMHZTMM-BYCMXARLSA-N	249.354	3.000	0	50	BGAA	
Fc1ccc2cc(-c3ccccn3)cnc2c1	1857738140	SPJCDCIWZRZSHF-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
COc1cc(OC)c(Cl)c(OC)c1Cl	1857777556	AABOLZHOMSRVIM-UHFFFAOYSA-N	237.082	3.019	0	50	BGAA	
O=C(O)c1cc(Cl)cc(Cl)c1Cl	56775	CGFDSIZRJWMQPP-UHFFFAOYSA-N	225.458	3.345	0	50	BGAA	
O=C(O)CC1CCC(c2ccccc2)CC1	392285	PBYZBGVGPMEGRS-UHFFFAOYSA-N	218.296	3.435	0	50	BGAA	in-vitro
Cc1ccc(CC(=O)N[C@H](C)C(C)(C)C)cc1	6698851	YCWLHZWZFSRBIH-GFCCVEGCSA-N	233.355	3.088	0	50	BGAA	
Cc1ccc(NC(=O)C2CCCCC2)c(N)c1	8701600	HBIBFKINUYCIMG-UHFFFAOYSA-N	232.327	3.096	0	50	BGAA	
FC(F)(F)Oc1ccc2[nH]ccc2c1	20494293	XVYXWSODSCHHHB-UHFFFAOYSA-N	201.147	3.067	0	50	BGAA	in-vitro
O=C1C[C@@H]2C=C[C@@H]3C=C(c4ccccc4)[C@@H]1[C@H]32	45027917	UEMYAOLZGPYWPV-KOZAUXTDSA-N	222.287	3.091	0	50	BGAA	
C(=C/[C@H]1CCCS1)\[C@H]1CCCS1	95883370	QKVNENWEZGAWQE-GMCFVEKCSA-N	200.372	3.334	0	50	BGAA	
CCOc1cc(F)cc(-c2ccc(N)nc2C)c1	96160919	CONBLXNPNMEOFB-UHFFFAOYSA-N	246.285	3.177	0	50	BGAA	
CCS[C@@H]1CC[C@H](NC[C@@H]2CCSC2)C1	226383648	NYQRONLGECOGMV-SDDRHHMPSA-N	245.457	3.003	0	50	BGAA	
C[C@@H]1CC(C)(C)Nc2c(C(=O)O)cc(F)cc21	253495993	YMZFNVJSXLUNSN-SSDOTTSWSA-N	237.274	3.222	0	50	BGAA	
CC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)c1ccccn1	294412244	QCVDTXMYJBUYJC-YNEHKIRRSA-N	246.354	3.085	0	50	BGAA	
Cc1nccnc1-c1ccc(OC(C)C)cc1	426490286	XPARDKORIKKVKW-UHFFFAOYSA-N	228.295	3.239	0	50	BGAA	
CC[C@@H]1CCCN(Cc2nc(C)c(C)n2C)CC1	1506403929	POEYJTMKPPOMBM-CQSZACIVSA-N	249.402	3.049	0	50	BGAA	
Cc1ccc(C(=O)N2CCC[C@H](C)C2)cc1C	288392	XJKODPYGGBFYCV-NSHDSACASA-N	231.339	3.176	0	50	BGAA	
Clc1ccc(CNC2CCCC2)cc1	359891	XIXHUNCZQIRQOG-UHFFFAOYSA-N	209.720	3.372	0	50	BGAA	
CC(C)c1ccccc1S(=O)(=O)C(C)(C)C	399876	VPDPQRGSTUJKGA-UHFFFAOYSA-N	240.368	3.382	0	50	BGAA	
COc1c(Cl)cc(Cl)cc1C(C)=O	2511043	MLXBLQUBVDCARQ-UHFFFAOYSA-N	219.067	3.205	0	50	BGAA	
CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)O	2526148	MXEFDHYPAAYIAX-MRVPVSSYSA-N	249.093	3.235	0	50	BGAA	
O=Cc1cccn1-c1ccccc1C(F)(F)F	2582726	MKXBQGRHBATBKC-UHFFFAOYSA-N	239.196	3.309	0	50	BGAA	
COc1ccc(NC(=O)CC2CCCC2)cc1	3548194	LABRYSBSZCGYKW-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
CC(=O)OCC[C@@H](C)CCCC(C)C	4582587	XFPXWDJICXBWRU-NSHDSACASA-N	200.322	3.402	0	50	BGAA	endogenous,in-man
CC(C)(C)OC(=O)N1CCCNc2ccccc21	22115663	ILSLJZOITJMIFR-UHFFFAOYSA-N	248.326	3.244	0	50	BGAA	
Oc1ccc(-c2ccc(F)cc2)c(F)c1	47204491	NRBIGGXSQDASKN-UHFFFAOYSA-N	206.191	3.337	0	50	BGAA	in-vitro
CC(=O)O[C@H]1C=C[C@@]23CC[C@@H](C)[C@@H]2CC[C@@]13C	104300753	JDTUOLDWYDXGNR-BFYSQQLMSA-N	234.339	3.321	0	50	BGAA	
Clc1nc2c(c3c1CCCC3)CCCC2	252516708	WAPNTGXXLSHBSS-UHFFFAOYSA-N	221.731	3.493	0	50	BGAA	
CSc1ccccc1-c1cnc(C)c(C)n1	426510077	JIFHSKFHSHTVNQ-UHFFFAOYSA-N	230.336	3.482	0	50	BGAA	
Oc1cccc(-c2ccc(-n3cccc3)nc2)c1	426534065	ODQCGQYMAZBQHI-UHFFFAOYSA-N	236.274	3.245	0	50	BGAA	
C[C@H]1CC(C)(C)c2c(F)c(F)c(F)c(N)c21	669375010	OROYNDILMZKELM-YFKPBYRVSA-N	229.245	3.471	0	50	BGAA	
CC[C@@H](C)Cc1nc(-c2ncoc2C(C)C)n[nH]1	822620031	NYFKJIWSFTYXJK-SECBINFHSA-N	248.330	3.172	0	50	BGAA	
CC(C)c1nnc(NC(=O)CC(C)(C)C)s1	380310	YEFUWNUYTBZPLS-UHFFFAOYSA-N	241.360	3.036	0	50	BGAA	
Cc1ccc(C)c(NC(=O)N2CCCCC2)c1	396670	WCIUJQMOMCPICD-UHFFFAOYSA-N	232.327	3.321	0	50	BGAA	
Cc1cc(C)n(-c2c(C)cccc2C)n1	1195995	MYBUTKPTBUJSNU-UHFFFAOYSA-N	200.285	3.106	0	50	BGAA	
O=C(c1ccccc1)c1ccccc1F	1847555	DWFDQVMFSLLMPE-UHFFFAOYSA-N	200.212	3.057	0	50	BGAA	in-vitro
COC(=O)c1cc(-c2ccccc2)cs1	2513569	MVHSKIOLDZOPEF-UHFFFAOYSA-N	218.277	3.202	0	50	BGAA	
Cc1ccccc1CNCc1cccs1	5019377	UIYQUCPHJPXNMG-UHFFFAOYSA-N	217.337	3.346	0	50	BGAA	
O=C(O)C[C@H](c1cccc(Cl)c1)n1cccc1	5764040	VPPORQUVYWUVCY-GFCCVEGCSA-N	249.697	3.206	0	50	BGAA	
Cc1ccccc1NC(=O)c1c(C)cccc1N	19397448	DJCBUJASTUIFPG-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	
Cc1ccc(NC(=O)C2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1	101655756	BVMNGBCXLDPFQF-CDGCEXEKSA-N	241.334	3.226	0	50	BGAA	
CC(C)NC(=O)NCc1ccc2sccc2c1	290457513	DGWAZFUSKLBYCI-UHFFFAOYSA-N	248.351	3.109	0	50	BGAA	
Cc1cc2cccnc2nc1-c1ccc(O)cc1	1800410590	WMDQAXNUHBYAIU-UHFFFAOYSA-N	236.274	3.311	0	50	BGAA	
Cc1ccc(-c2nccn2C2CC2)s1	1875247406	VAEOJJNKOSEFPB-UHFFFAOYSA-N	204.298	3.255	0	50	BGAA	
CC(=O)c1ccc(NC(=O)c2cccs2)cc1	35851	YIXZSHMHCPWXHV-UHFFFAOYSA-N	245.303	3.203	0	50	BGAA	
O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1	94067	VFDOKJVMHZUBTN-KAMYIIQDSA-N	249.269	3.031	0	50	BGAA	
COc1ccccc1Nc1nc2c(s1)CCC2	297973	CZNGCIREEDNKQO-UHFFFAOYSA-N	246.335	3.384	0	50	BGAA	
Nc1cc(-c2ccc(-c3ccccc3)cc2)n[nH]1	313208	PMNPUUUDKHRGAH-UHFFFAOYSA-N	235.290	3.326	0	50	BGAA	in-vitro
CCOc1ccc([C@H](N)c2ccccc2)cc1	4312903	DZZLERCMSWAOHE-OAHLLOKOSA-N	227.307	3.133	0	50	BGAA	
COC(=O)c1cc2ccc(Cl)cc2s1	8730028	YKNFICOVOXVEIN-UHFFFAOYSA-N	226.684	3.341	0	50	BGAA	
CC[C@@H](C(=O)n1nc(C)cc1C)c1ccccc1	13324037	FMIHLADQOGYEFI-CQSZACIVSA-N	242.322	3.334	0	50	BGAA	
c1coc(CNCc2ccc3cc[nH]c3c2)c1	20479700	TWKWVRFDGGTNNP-UHFFFAOYSA-N	226.279	3.051	0	50	BGAA	
Clc1nccc(-c2c[nH]c3ccccc23)n1	85223796	YJGKIMCJZOZIOQ-UHFFFAOYSA-N	229.670	3.278	0	50	BGAA	
COCCC[C@H]1CCCN(c2ccnc(C)c2)C1	96163362	APPCLWFXQMOXSE-CQSZACIVSA-N	248.370	3.033	0	50	BGAA	
Cc1cc(-c2cccc(CC(=O)O)c2)cs1	313536467	XMIYUBMNHJTPLL-UHFFFAOYSA-N	232.304	3.351	0	50	BGAA	
CC(C)c1occ(C(F)(F)F)c1C(=O)O	721853504	FJXSPBNOXLSQOW-UHFFFAOYSA-N	222.162	3.120	0	50	BGAA	
Fc1ccc2cc(-c3cccnc3)cnc2c1	1239568007	WJCWEKFIUSWAKO-UHFFFAOYSA-N	224.238	3.436	0	50	BGAA	
COc1ccccc1OC(=O)Nc1ccccc1	285726	XFEVOHQZBADKOV-UHFFFAOYSA-N	243.262	3.306	0	50	BGAA	
CCCC(=O)Nc1nc2ccc(C)cc2s1	362338	JNHOWRWCQOSVDM-UHFFFAOYSA-N	234.324	3.343	0	50	BGAA	
CC(=O)c1ccc(C(F)(F)F)c(F)c1	2560168	NXQBONPKAOTSNA-UHFFFAOYSA-N	206.138	3.047	0	50	BGAA	
O=Cc1ccccc1SC(F)(F)F	2560224	JQSKYLMRBFOYTR-UHFFFAOYSA-N	206.188	3.111	0	50	BGAA	in-vitro
COc1ccc(CNCc2ccc(C)s2)cc1	5019542	KNEPLGGBEKMPTM-UHFFFAOYSA-N	247.363	3.355	0	50	BGAA	
C[C@H](NC(=O)OC(C)(C)C)c1ccccc1	6697521	WOIRCKJMSPMDAM-JTQLQIEISA-N	221.300	3.272	0	50	BGAA	
COc1ccc(C(=O)NCC2CCCCC2)cc1	12694692	IPFKVEANNWYEEM-UHFFFAOYSA-N	247.338	3.005	0	50	BGAA	
Cc1ccc(OCc2ccccc2)cc1N	16678127	XNRKEHVEZGIZJJ-UHFFFAOYSA-N	213.280	3.156	0	50	BGAA	
O=C(/C=C\c1ccccc1)Oc1ccccc1	17149197	NBFNGRDFKUJVIN-QXMHVHEDSA-N	224.259	3.305	0	50	BGAA	
CC(/C=C/c1ccc(Cl)cc1)=C\C(=O)O	23550176	LUMSMPZBYSZBEC-VHYPUYLQSA-N	222.671	3.384	0	50	BGAA	
O=C(OCc1ccccc1)Oc1ccccc1	25756948	SNGLYCMNDNOLOF-UHFFFAOYSA-N	228.247	3.402	0	50	BGAA	in-vitro
CC(C)Oc1ccc(Br)c(C=O)c1	34570860	RFXGGROPXWWLIF-UHFFFAOYSA-N	243.100	3.049	0	50	BGAA	in-vitro
Cc1cccc(F)c1-c1cccc(C(=O)O)c1	65336948	WEFSCTPLVWIRNQ-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
CCn1nc(C)nc1-c1ccc(Cl)cc1F	95500221	SMXHQAYBNZFLSH-UHFFFAOYSA-N	239.681	3.066	0	50	BGAA	
CC(=O)c1ccc(Cl)c2cccnc12	139948375	JMKBPBNGEGDMLD-UHFFFAOYSA-N	205.644	3.091	0	50	BGAA	
CN[C@@H](C)Cc1cc2ccccc2s1	238318709	DWSHJGNBNZAVRQ-VIFPVBQESA-N	205.326	3.052	0	50	BGAA	
COc1ccnc(-c2cccc([C@@H](C)OC)c2)c1	426623350	RNJTVLFRFMTJHL-LLVKDONJSA-N	243.306	3.465	0	50	BGAA	
CC(F)(F)COc1cc(C=O)ccc1Cl	585662406	YTKIPEJXBTXBBC-UHFFFAOYSA-N	234.629	3.187	0	50	BGAA	
Cc1cc(C)cc(NC(=O)C2CCCC2)c1	365158	AATFGQMTHPPNTJ-UHFFFAOYSA-N	217.312	3.432	0	50	BGAA	
C[C@@H](O)COc1ccccc1Cc1ccccc1	394575	LHJUTIWDMKWNPR-CYBMUJFWSA-N	242.318	3.037	0	50	BGAA	
CC[C@H](C)c1c(Cl)cccc1OCC(=O)O	409782	FOQJVPHGAPRTEO-QMMMGPOBSA-N	242.702	3.317	0	50	BGAA	
COc1ccccc1-c1cccc(C(=O)O)c1	2574063	COUUHAJQLHMNJM-UHFFFAOYSA-N	228.247	3.060	0	50	BGAA	
Cc1cc(C)cc(OCCCCn2ccnc2)c1	2896699	VKKCBLVUYBNODK-UHFFFAOYSA-N	244.338	3.359	0	50	BGAA	
Cc1cc(OCc2ccccc2)ccc1O	38363865	DGFFIQHIMIAQFL-UHFFFAOYSA-N	214.264	3.280	0	50	BGAA	in-vitro
Clc1ncnc2scc(Br)c12	38540624	IKCKRHCJPVDELP-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
Fc1cc(Br)cc(OC(F)F)c1	74937872	TVMFSEYOFZQZAB-UHFFFAOYSA-N	241.006	3.190	0	50	BGAA	in-vitro
CNC[C@@H]1O[C@@H]2CCCC[C@H]2c2sccc21	239412467	SSQGFXDMCNKSBL-JLLWLGSASA-N	237.368	3.065	0	50	BGAA	
Nc1cc(Cl)c(OC(F)F)cc1Cl	263624665	SLVLLTDZVJXRAD-UHFFFAOYSA-N	228.025	3.177	0	50	BGAA	
CCc1ccc(CN2CCC[C@@H](OC)CC2)cc1	363680773	YXXVUTBYWSBUCA-MRXNPFEDSA-N	247.382	3.250	0	50	BGAA	
O=Cc1cccc(-c2ccccc2C(=O)O)c1F	725273045	XZSZYPQFJPEVSM-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
C=CC(=O)Nc1ccccc1N1CCC[C@H](C)C1	1775997731	QMMSXFTUSJDEIV-LBPRGKRZSA-N	244.338	3.047	0	50	BGAA	
FC(F)c1ccnc(N[C@H]2CCCOCC2)c1	1875286864	KALVPNSLDUEMPW-JTQLQIEISA-N	242.269	3.000	0	50	BGAA	
O=c1cccc(-c2cccc3ccccc23)o1	189560	XLWSCVJZCYTXIP-UHFFFAOYSA-N	222.243	3.460	0	50	BGAA	
Fc1ccc(Cn2cnc3ccccc32)cc1	210331	QLQZBMMYHJKDSH-UHFFFAOYSA-N	226.254	3.224	0	50	BGAA	
COc1ccc2nc(Cl)cc(C)c2c1	394913	VXGIQWGIRMJJDC-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	
O=C1N[C@H](c2ccc(Cl)cc2)c2ccccc21	396947	OMUHBVDRMKRVLW-CYBMUJFWSA-N	243.693	3.173	0	50	BGAA	
CCc1cccc(NC(=O)Cc2ccccc2)c1	442170	MIOINAPJPLSPIM-UHFFFAOYSA-N	239.318	3.430	0	50	BGAA	
CC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1	452438	NAERDAUJJTYIMY-UHFFFAOYSA-N	246.335	3.385	0	50	BGAA	
CC(C)C(=O)c1ccc(OC(F)(F)F)cc1	5359248	LRLLMOWTLDDQIW-UHFFFAOYSA-N	232.201	3.424	0	50	BGAA	in-vitro
C[C@@H](CCN1C[C@@H](C)O[C@H](C)C1)c1ccccc1	19634289	PMGQZHMNKYVKJY-RRFJBIMHSA-N	247.382	3.289	0	50	BGAA	
Fc1ccc2nc(Br)ccc2c1	85399103	GEDXYXFMKSPTLS-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
O=C(O)Cc1ccc(-c2cccc(F)c2F)cc1	85476874	VTXARBLUYYUGIA-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	in-vitro
Clc1ccc2nc(Cl)c3cncn3c2c1	126850076	QQFSCGYTBDYLSG-UHFFFAOYSA-N	238.077	3.189	0	50	BGAA	
C[C@@](CO)(Cc1ccccc1)[Si](C)(C)C	169831388	XYDXOTOHYXQLFH-ZDUSSCGKSA-N	222.404	3.320	0	50	BGAA	
CC[C@@H]1[C@@H](C)CCN1C(=O)CC1CCCC1	170598947	XNBQZIUNBICIGC-WCQYABFASA-N	223.360	3.214	0	50	BGAA	
Cc1n[nH]c(C)c1NC(=O)C1C[C@H](C)C[C@@H](C)C1	183342668	RAWUTGHIQABYDX-RKDXNWHRSA-N	249.358	3.037	0	50	BGAA	
O[C@H]1c2ccccc2[C@H]2C[C@H]1c1ccccc12	230098995	SULWBOJGJLWVLI-JYJNAYRXSA-N	222.287	3.353	0	50	BGAA	
O=C(O)/C=C/c1c(Cl)ccc(F)c1Cl	263624238	OOAVFDMWOHTGTH-DAFODLJHSA-N	235.041	3.230	0	50	BGAA	
CCC(CC)[C@@H](N)C1(O)CCCCCCC1	958528228	OYTAJWGOZNTHLX-CYBMUJFWSA-N	227.392	3.225	0	50	BGAA	
Cc1c(C(=O)N2CCCCC2)oc2ccccc12	248719	KCWGVCAXVYBMIX-UHFFFAOYSA-N	243.306	3.367	0	50	BGAA	
Cc1ccccc1CN(C)CCc1ccccn1	271924	DMHMBXXFJMWFLE-UHFFFAOYSA-N	240.350	3.065	0	50	BGAA	
Cc1cc(C)cc(NC(=O)OC(C)C)c1	397385	YFMZVNFEAZFGTH-UHFFFAOYSA-N	207.273	3.260	0	50	BGAA	
C/C(Cl)=C\CN[C@H](C)c1ccccc1	794181	KLLJRHWVXBUIJY-RJCSOLBVSA-N	209.720	3.480	0	50	BGAA	
CCc1ccc([C@@H](O)c2ccc(F)cc2)cc1	4255770	FZTGUOYUSGWXHP-OAHLLOKOSA-N	230.282	3.470	0	50	BGAA	
CC[C@H](C)Sc1nc(O)c2ccccc2n1	8673133	QFLUMHHMRPVEDR-QMMMGPOBSA-N	234.324	3.226	0	50	BGAA	
C[C@@H]1CCCN(c2ccc(Cl)cc2N)C1	8702468	VYHAURUAZMRZFE-SECBINFHSA-N	224.735	3.159	0	50	BGAA	in-vitro
Cc1ccc(F)cc1-c1ccc(C(=O)O)cc1	38068162	LVAZOVXWXPBULN-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
O=C(O)CC[C@H](c1ccccc1)c1ccccn1	71773204	CLJCFMBMUJLYRX-CYBMUJFWSA-N	241.290	3.078	0	50	BGAA	
CC[C@H](C)c1ccc(O)c(C(=O)C2CC2)c1	232354875	MPDZXIAMQSNTLX-VIFPVBQESA-N	218.296	3.498	0	50	BGAA	
C[C@H]1CN(Cc2ccccn2)[C@H]1c1ccccc1	245421331	HWXBOJNGFJCKRW-XJKSGUPXSA-N	238.334	3.275	0	50	BGAA	
CCc1ccc(CN2CCC[C@H](OC)CC2)cc1	363680772	YXXVUTBYWSBUCA-INIZCTEOSA-N	247.382	3.250	0	50	BGAA	
CCOc1ccccc1/C=C/Br	685964094	VPWOFAKTIQLKOK-BQYQJAHWSA-N	227.101	3.451	0	50	BGAA	
Cc1nc(-c2ccc(O)cc2)c2sccc2n1	1241060470	DAMNZAJFPYSTIA-UHFFFAOYSA-N	242.303	3.372	0	50	BGAA	
O=C(NC1CCCCC1)N1CCc2ccccc21	94210	OSIPNWACISSEHG-UHFFFAOYSA-N	244.338	3.091	0	50	BGAA	
Cc1ccc(C)c(NCc2ccccn2)c1	183521	OGNREASDDLZNGM-UHFFFAOYSA-N	212.296	3.311	0	50	BGAA	
O=C(O)[C@H]1CCc2ccc3cccc4c3c2[C@@H]1C4	2519652	DXGZSJTVJKYPCD-QWHCGFSZSA-N	238.286	3.127	0	50	BGAA	
O=C(CCC(=O)c1cccs1)c1ccco1	5344535	FMZLKHVWVRMLPE-UHFFFAOYSA-N	234.276	3.187	0	50	BGAA	
c1ccc(C2CCC(N3CCOCC3)CC2)cc1	23282838	IMLLXDSYXDAESS-UHFFFAOYSA-N	245.366	3.045	0	50	BGAA	
CC(=O)O[C@H]1C[C@H]2CC[C@@]1(c1ccccc1)C2	100940978	RSPCTHIVCKFIDB-SNPRPXQTSA-N	230.307	3.060	0	50	BGAA	
FC(F)(F)c1nc(Cl)c2ccsc2n1	149206489	BGEFLISGTFHGTJ-UHFFFAOYSA-N	238.621	3.364	0	50	BGAA	
CCc1ccc(CN[C@H]2CC[C@@H]2C)s1	308472960	CLWUVWFZHZQQHW-CABZTGNLSA-N	209.358	3.199	0	50	BGAA	
Cn1nc(-c2cc3ccccc3o2)nc1C1CC1	2100539326	CKTGUNOHJQNHBK-UHFFFAOYSA-N	239.278	3.106	0	50	BGAA	
Cc1cccc(-c2cc3nc(C)cc(C)n3n2)c1	334367	YWKHFVVLOQXGDQ-UHFFFAOYSA-N	237.306	3.322	0	50	BGAA	
CCCCNCCCOc1cccc(Cl)c1	2903104	WHHOEMWVORQSAZ-UHFFFAOYSA-N	241.762	3.499	0	50	BGAA	
Cc1ccc(CC(=O)Nc2ccccc2)c(C)c1	5268095	GFCFSVCHXWRWTJ-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
COc1cccc(NC(=O)c2cc(C)oc2C)c1	8804228	KNBFBCXPLZTOLI-UHFFFAOYSA-N	245.278	3.157	0	50	BGAA	
CC(C)CC[C@@H](C)N[C@@H](CO)Cc1ccccc1	32582013	IRBQRYUZSPJWGP-GDBMZVCRSA-N	249.398	3.004	0	50	BGAA	
CC(C)Sc1nc2ccc(N)cc2s1	42141665	RJWKRIDCORWNAS-UHFFFAOYSA-N	224.354	3.379	0	50	BGAA	
Clc1cnc(-c2cccc3cnccc23)nc1	65528652	ICKLFZYSZJMODG-UHFFFAOYSA-N	241.681	3.345	0	50	BGAA	
FC(F)(F)[C@@H](c1ccccc1)[C@H]1CCCCN1	83323406	DWYITFYTKHCOSX-NEPJUHHUSA-N	243.272	3.475	0	50	BGAA	
Cc1c(-c2ccc(F)c3cccnc23)cnn1C	426518296	JDGAHTVMMZAPEC-UHFFFAOYSA-N	241.269	3.083	0	50	BGAA	
CC1(CSc2cccc(O)c2)CCOCC1	585119275	ZXHXXFPZLDJXLF-UHFFFAOYSA-N	238.352	3.301	0	50	BGAA	
C=CC(=O)N[C@@H](C)CCC1CCCCC1	1338390694	XETNJOIAJZDLQE-NSHDSACASA-N	209.333	3.038	0	50	BGAA	
CC(C)[C@H]1C[C@@H]1NC(=O)c1coc2ccccc12	1615003094	XDCCSFDWSJGTEX-YPMHNXCESA-N	243.306	3.207	0	50	BGAA	
CCC[C@@H](C)C(=O)Nc1ccc(NC(C)=O)cc1	30897	SKQJEXNNWUHXRF-SNVBAGLBSA-N	248.326	3.020	0	50	BGAA	
Cc1cc(Br)cc(C)c1N(C)C	162150	NDDKEDQKCHIHMI-UHFFFAOYSA-N	228.133	3.132	0	50	BGAA	in-vitro
CC[C@H](C)NCc1ccc(Br)cc1	5907919	BBPAAXNPAVJXOD-VIFPVBQESA-N	242.160	3.337	0	50	BGAA	
Cc1cccc(CC(=O)Nc2cccc(F)c2)c1	6725529	ZPZAZUDDGCBQHV-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
Cc1ccc(C(C)(C)C)c(O[C@H](C)C(=O)O)c1	11885587	MTISOYNPHKRTKY-SNVBAGLBSA-N	236.311	3.144	0	50	BGAA	
Cc1cccc(-c2ccc(C(=O)O)c(F)c2)c1	38068224	NJNUTPBGWJQWOD-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
CC(C)Oc1cc(F)ccc1Br	38537030	OJWUXVJGCPUWTK-UHFFFAOYSA-N	233.080	3.375	0	50	BGAA	in-vitro
Fc1cc(Cl)cc(F)c1Br	55161594	OUMNGNRBHZGAMH-UHFFFAOYSA-N	227.435	3.381	0	50	BGAA	in-vitro
C[C@@H](N[C@@H]1CCOc2ccccc21)C1CCC1	128478359	QKZAJWIGGIVQIC-BXUZGUMPSA-N	231.339	3.288	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1	239439296	ZSFZAGJCCWKWOT-VHDGCEQUSA-N	243.350	3.191	0	50	BGAA	
C=CC(=O)N1C[C@H](C)CC[C@H]1c1cccc(C)c1	2325890798	OYRFKMMNMKTBPK-HIFRSBDPSA-N	243.350	3.481	0	50	BGAA	
CCc1cc(C)nc2cc(-c3ccccc3)nn12	127894	KDXWTUOCUXRUJP-UHFFFAOYSA-N	237.306	3.267	0	50	BGAA	
Cc1nc2c(cc(O)c3ccccc32)s1	349018	XSPCDMNJYXCPDR-UHFFFAOYSA-N	215.277	3.464	0	50	BGAA	
Cc1ccc(NC(=O)c2cccc(F)c2)cc1	361965	YGYASICDDPBVIN-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
Cc1cc(Cl)ccc1NC(=O)C(C)C	458326	ZUPDMXRHLMEDLP-UHFFFAOYSA-N	211.692	3.243	0	50	BGAA	
CCSC(=O)N(CC(C)C)CC(C)C	2002584	BMTAFVWTTFSTOG-UHFFFAOYSA-N	217.378	3.474	0	50	BGAA	biogenic,in-vitro
CCCCCC[P@@](=O)(O)c1ccccc1	2485725	WYEQXLRSNZWGQD-UHFFFAOYSA-N	226.256	3.163	0	50	BGAA	
C[C@H]1CCCN(c2c(N)cccc2Cl)C1	8702450	NKWBFZYHOQYFCC-VIFPVBQESA-N	224.735	3.159	0	50	BGAA	in-vitro
COc1ccc2c(Cl)cc(C)nc2c1	11757227	AAEHSBUWUZTZJG-UHFFFAOYSA-N	207.660	3.205	0	50	BGAA	in-vitro
Cc1ccccc1Oc1ccccc1O	33978645	VBYGHXFBLOWOMS-UHFFFAOYSA-N	200.237	3.493	0	50	BGAA	
O=Cc1c(Br)ccc2ccccc12	71256875	XJIPTTLNJAQLLR-UHFFFAOYSA-N	235.080	3.415	0	50	BGAA	
CC(C)CNNCc1cccc2ccccc12	95917801	RYAHKIDYMYIWAN-UHFFFAOYSA-N	228.339	3.090	0	50	BGAA	
OCc1ccc(Cl)cc1OCc1ccccc1	114091293	PJXSKFNACKKWPU-UHFFFAOYSA-N	248.709	3.411	0	50	BGAA	
FCc1ccc(F)cc1Br	238692734	BIBCZWYRWMBIOT-UHFFFAOYSA-N	207.017	3.058	0	50	BGAA	
COc1ccc(F)cc1-c1noc(C2CCC2)n1	725273627	QVRWOBUEAIBNIJ-UHFFFAOYSA-N	248.257	3.152	0	50	BGAA	
CN(C)CC[C@@H](c1ccccc1)c1ccccn1	607	IJHNSHDBIRRJRN-HNNXBMFYSA-N	240.350	3.165	0	50	BGAA	biogenic,fda
O=C(O)c1cc2c(ccc3ccccc32)[nH]1	23582	PZHFTOALJLZERX-UHFFFAOYSA-N	211.220	3.019	0	50	BGAA	in-vitro
Cc1cccnc1NC(=O)Nc1ccc(F)cc1	97875	KBPFLXIUTRAXJS-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
CC1CCN(C(=O)c2cccc(Cl)c2)CC1	126080	MHUJBFSODJNJJX-UHFFFAOYSA-N	237.730	3.212	0	50	BGAA	
CN(C)CC(=O)c1ccc(-c2ccccc2)cc1	247383	BNFLSPBWCHLHEZ-UHFFFAOYSA-N	239.318	3.098	0	50	BGAA	aggregator
CCCN(CCO)Cc1ccc(C(C)C)cc1	277739	OVAAUYDCMQLRBE-UHFFFAOYSA-N	235.371	3.014	0	50	BGAA	
CCOC(=O)c1oc(Cl)c(Cl)c1Cl	399947	OEPSGYWZKKEFNC-UHFFFAOYSA-N	243.473	3.417	0	50	BGAA	
C[C@@H](C(=O)OC(C)(C)C)c1ccccc1	409764	ANRMTVJCEZBLMH-SNVBAGLBSA-N	206.285	3.132	0	50	BGAA	
CCC(CC)C(=O)Nc1cccc(F)c1	453169	RLKFAVDAGQWRLF-UHFFFAOYSA-N	209.264	3.200	0	50	BGAA	
COc1ccc([C@H](N)c2ccc(Cl)cc2)cc1	2527487	CCICTLJYDLLZDO-CQSZACIVSA-N	247.725	3.397	0	50	BGAA	
Cc1ccc(-c2ccc(/C=C/C(=O)O)o2)cc1	4294431	DUQNFABHEUFXNB-VQHVLOKHSA-N	228.247	3.353	0	50	BGAA	
Cc1nc(NC(=O)CC(C)C)ccc1Cl	10119496	FKLIUMASPKUAME-UHFFFAOYSA-N	226.707	3.028	0	50	BGAA	
Cc1cc(F)ccc1-c1cccc(C(=O)O)c1	38068189	ONDXPXZFVLAWKG-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
c1ccc(OCC[C@H]2CCCCO2)cc1	45027870	LIPYMHOUWIIRKU-CYBMUJFWSA-N	206.285	3.025	0	50	BGAA	
Fc1cc(Br)cc(C2CC2)c1	72193356	KKDNDCLSKALKOS-UHFFFAOYSA-N	215.065	3.466	0	50	BGAA	
COc1ccc(-c2cc(F)cc(F)c2)cn1	82046471	ZVHCKOSWKRFYRQ-UHFFFAOYSA-N	221.206	3.035	0	50	BGAA	in-vitro
CC1=NN(c2ccc(C(C)(C)C)cc2)C(=O)C1	113160598	RBODBGADQNATTQ-UHFFFAOYSA-N	230.311	3.097	0	50	BGAA	
CCCCc1nnc(NCc2cccs2)o1	133936733	WUCXBVWKWOYNTD-UHFFFAOYSA-N	237.328	3.086	0	50	BGAA	
O=Cc1c(F)cccc1-c1cccc(O)c1F	725270373	JJUSMEAEIDSBJO-UHFFFAOYSA-N	234.201	3.150	0	50	BGAA	
Cc1cc2c[nH]nc2cc1[C@H]1CCC[C@@H](C)N1	757209865	GNTMOMKYUKRPKQ-ZWNOBZJWSA-N	229.327	3.074	0	50	BGAA	
Cc1cccc([C@H](C)N[C@H](C)c2cc[nH]n2)c1C	2325742648	JDGHCEZUWLMATD-QWHCGFSZSA-N	243.354	3.438	0	50	BGAA	
N=c1sc2ccccc2n1Cc1ccccc1	41280	HEHNGGKJGNBCKU-UHFFFAOYSA-N	240.331	3.231	0	50	BGAA	
CC(C)[C@H]1NCCc2c1[nH]c1ccccc21	252427	ANFOWSMYMVVVLD-CYBMUJFWSA-N	214.312	3.011	0	50	BGAA	in-vitro
O=C(NCCC1=CCCCC1)c1ccccc1O	302316	OOJYYJUWBZYYPH-UHFFFAOYSA-N	245.322	3.013	0	50	BGAA	
COc1ccc(NC(=O)C2CCC(C)CC2)cc1	341390	MRAXHQDZKAQYGG-UHFFFAOYSA-N	247.338	3.460	0	50	BGAA	
Cc1ccc(OC(=O)Cc2ccccc2)cc1	393808	OJEQSSJFSNLMLB-UHFFFAOYSA-N	226.275	3.143	0	50	BGAA	endogenous,in-man
Cc1nc(Cl)c2c(C)c(C)sc2n1	2505870	HDOQGBZKVBVNLU-UHFFFAOYSA-N	212.705	3.270	0	50	BGAA	in-vitro
Cc1ccc(Cl)cc1NC(=O)C(C)C	2596076	YVTQFDYIWLCCJG-UHFFFAOYSA-N	211.692	3.243	0	50	BGAA	
Brc1cccc([C@H]2CCCCN2)c1	3734692	PIABJNAPJPTVKN-LLVKDONJSA-N	240.144	3.264	0	50	BGAA	
Cc1ccc(/N=c2\scc3n2CCC3)cc1	12447527	KVIHKJDUHMRPJC-YPKPFQOOSA-N	230.336	3.037	0	50	BGAA	
NCc1ccc(Br)c2ccccc12	15042976	PMFKFFYEQAYJDO-UHFFFAOYSA-N	236.112	3.061	0	50	BGAA	
Cc1ccc(NC(=O)[C@@H]2CC23CCCCC3)cn1	20235149	MKSBRVNCSHDESH-ZDUSSCGKSA-N	244.338	3.299	0	50	BGAA	
Cc1ccc(C)c2c(Cl)cc(C(=O)O)nc12	21985656	UCSHQWMHNSJGBQ-UHFFFAOYSA-N	235.670	3.203	0	50	BGAA	
CCOC(=O)c1cc2c(Cl)ccc(C)c2[nH]1	144066372	SMKZGGWPDJCDEF-UHFFFAOYSA-N	237.686	3.306	0	50	BGAA	
Cc1ccc(C[C@@H](C)N(C)CCC(C)(C)O)cc1	170653741	KYFVJLUHGWFLPZ-CQSZACIVSA-N	249.398	3.019	0	50	BGAA	
c1nc(NCCCC2CCCC2)c2cnoc2n1	225502767	OLCXIBNNAMAARG-UHFFFAOYSA-N	246.314	3.000	0	50	BGAA	
C[C@@H]1C[C@H]1C(=O)N1CCC[C@H]1c1ccccc1	253592528	WTFDVYKYOCLAEW-BNOWGMLFSA-N	229.323	3.006	0	50	BGAA	
O=C(CCc1ccccc1)N1CCCCCC1	30741	NXNZRJVYXXSGMN-UHFFFAOYSA-N	231.339	3.022	0	50	BGAA	
O=C(c1ccccc1)c1cccc(F)c1F	156695	BWQOPMJTQPWHOZ-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	
Clc1cc(Cl)nc(Cc2ccccc2)n1	157902	ACEVCJQVGFNGAU-UHFFFAOYSA-N	239.105	3.374	0	50	BGAA	
Cc1ccc(CC(=O)Nc2ccccc2)cc1	578001	QOAXPBBPTQBSND-UHFFFAOYSA-N	225.291	3.176	0	50	BGAA	
Cc1cc(C)c2ccn(C(=O)C(F)(F)F)c2c1	14984865	GFBSFAXMGMRPBU-UHFFFAOYSA-N	241.212	3.461	0	50	BGAA	
Cc1cnccc1-c1cccc(-c2ccn(C)n2)c1	19744819	BBHZXPGETXWFSZ-UHFFFAOYSA-N	249.317	3.458	0	50	BGAA	
CC1(CNC2CCC3(CCCC3)CC2)COC1	129437615	YQBODTBLZGXSQQ-UHFFFAOYSA-N	237.387	3.116	0	50	BGAA	
O=C1CC[C@H](c2c[nH]c3ccc(F)cc23)C1	142550690	DINNCXVUOXLHSH-QMMMGPOBSA-N	217.243	3.144	0	50	BGAA	
C[C@H]1CC(C)(C)c2cc(F)c(F)c(N)c21	669375353	ZHLOYSXFJIYRPM-LURJTMIESA-N	211.255	3.332	0	50	BGAA	
Cc1cc(-c2cnc3cnn(C)c3c2)cs1	2325863192	ZJUBZMZZDQKLOY-UHFFFAOYSA-N	229.308	3.005	0	50	BGAA	
Cc1ccc(C(=O)NC2CCCCCC2)o1	474616	HKHDEDOAQXOKMS-UHFFFAOYSA-N	221.300	3.041	0	50	BGAA	
CCn1c(-c2ccco2)nc2ccccc21	572340	CZUMUHGCBNBEGX-UHFFFAOYSA-N	212.252	3.316	0	50	BGAA	
FC(F)(F)c1nc(Cl)c2ccccc2n1	1387522	DLJSNOYNVQOJLU-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	
CCCCCCOC(=O)c1ccc(N)cc1	1771487	UWIGKXXCHKVGHW-UHFFFAOYSA-N	221.300	3.006	0	50	BGAA	in-vitro
CC(C)(C)c1ccc(C(=O)CCC(=O)O)cc1	2579954	XJHBTHNAMOUNRQ-UHFFFAOYSA-N	234.295	3.032	0	50	BGAA	
CCc1cc(=O)oc2cc(OC(C)C)ccc12	2967474	ZDJQJBBAQYZVIO-UHFFFAOYSA-N	232.279	3.143	0	50	BGAA	
CCOc1c(C)cc2[nH]c(=S)[nH]c2c1C	6499552	ZLTPORLJOUWLHW-UHFFFAOYSA-N	222.313	3.241	0	50	BGAA	
CN(C[C@@H]1CC=CCC1)C[C@@H](O)c1ccccc1	9208907	XTEFZUUUYVDILA-GDBMZVCRSA-N	245.366	3.008	0	50	BGAA	
Fc1cc(Br)cc2[nH]ccc12	14983302	VTODDAKQRGKCGF-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
Nc1ccccc1-c1cc(F)cc(F)c1	38068958	CYILCTRYEHZDGM-UHFFFAOYSA-N	205.207	3.214	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2ccccc2)c1OC	39377725	UYAQXLIDRXWSOW-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
CC(C)=CC[C@H](C(=O)O)c1ccccc1	45074586	YLNBMULYXHXMRC-LBPRGKRZSA-N	204.269	3.211	0	50	BGAA	
C[C@@H]1C[C@H]1C(=O)N(C)[C@H](C)c1ccc(F)cc1	252457610	WPBWLSKYMPKCLD-GIPNMCIBSA-N	235.302	3.001	0	50	BGAA	
CCc1cc(=O)c2c(Cl)cccc2o1	498050532	LJXSERPVHANSOF-UHFFFAOYSA-N	208.644	3.009	0	50	BGAA	
C[C@H]1C[C@H](C)CN(C(=O)CCc2ccccc2)C1	30778	LGSCIHFEPJZDTD-KBPBESRZSA-N	245.366	3.124	0	50	BGAA	
Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S	90959	WBHKPLKLHZOBRB-UHFFFAOYSA-N	247.367	3.442	0	50	BGAA	
Cc1ccc(-c2nc3ccccc3[nH]2)cc1N	122934	NWYALKGHFGHBQP-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	in-vitro
Cc1ccc(C)c(NC(=O)c2ccc(O)cc2)c1	151722	KDBQWFGRLYZABP-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
COc1ccc(-c2ccc(C=O)s2)cc1	165544	ODLOZSNXTQAWGQ-UHFFFAOYSA-N	218.277	3.236	0	50	BGAA	
CCNc1ccc(OC(F)(F)F)cc1	167291	GOAUEGCHWIJHRD-UHFFFAOYSA-N	205.179	3.017	0	50	BGAA	in-vitro
Cc1nc(-c2ccccc2)c2ccccn12	809924	WTZGWHFXGBZCJR-UHFFFAOYSA-N	208.264	3.310	0	50	BGAA	
COc1cc(C)c(Br)cc1C	2382996	YSSZMKUHFOKNPD-UHFFFAOYSA-N	215.090	3.075	0	50	BGAA	biogenic,in-vitro
CCCCCCSc1nnc(S)s1	2556304	PXZAXJQJAWDCKS-UHFFFAOYSA-N	234.415	3.499	0	50	BGAA	
CNCCOc1ccc(C(C)(C)C)cc1Cl	2845399	USZYZFNEVOVBAG-UHFFFAOYSA-N	241.762	3.236	0	50	BGAA	
CCCNC(=O)Nc1ccc(Cl)cc1F	6741412	SZKQSVOIIJDYSO-UHFFFAOYSA-N	230.670	3.011	0	50	BGAA	
Brc1ccc(-c2ccon2)cc1	15442911	BZZNOXIJKCPQNF-UHFFFAOYSA-N	224.057	3.104	0	50	BGAA	in-vitro
CCC1=N[C@H](c2ccccc2)N(O)C1(C)C	19607562	OTIRBBMRSURCPC-LBPRGKRZSA-N	218.300	3.020	0	50	BGAA	
CCCC(=O)Nc1cccc2ccc(C)nc12	19938273	ILFZLLUVKLTDBX-UHFFFAOYSA-N	228.295	3.282	0	50	BGAA	
Cc1cc(C)c(NC(=O)c2coc(C)n2)c(C)c1	22538409	NSYZXVXGXDHEPV-UHFFFAOYSA-N	244.294	3.161	0	50	BGAA	
C[C@H]1C=CC[C@]23CCc4ccccc4[C@]12C(=O)C3	43762082	YCYIYMHBQASZBV-VUCTXSBTSA-N	238.330	3.426	0	50	BGAA	
CCC(=O)N[C@H](CC)c1ccc(C)cc1C	72116132	ZANYDIGKOSPHIY-CYBMUJFWSA-N	219.328	3.281	0	50	BGAA	
FC(F)(F)c1c[nH]c2nc(Cl)ccc12	95830096	BZGSFGFNHIPAIZ-UHFFFAOYSA-N	220.581	3.235	0	50	BGAA	
CCc1ccc2c(c1)[C@@H](c1ccccc1)C(=O)O2	100284583	HCGGBUNCZYKQKP-OAHLLOKOSA-N	238.286	3.300	0	50	BGAA	
Fc1ccc(Cl)c(CN2CCCC2)c1	188808963	XKYJNCWUIRULKP-UHFFFAOYSA-N	213.683	3.075	0	50	BGAA	
C[C@H](N[C@@H]1C[C@H](C)N(C)C[C@@H]1C)c1ccccc1	227454924	ZESBOMNHBGYPKU-RZLSGREXSA-N	246.398	3.066	0	50	BGAA	
Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1	319195	BPECMASLXQFQDL-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
Nc1cc2ccccc2cc1Br	345455	XMDCYZRDFRTBQH-UHFFFAOYSA-N	222.085	3.185	0	50	BGAA	
COC(=O)C1(c2cccc(Cl)c2)CCCC1	9280727	MASLPJGFMQESGY-UHFFFAOYSA-N	238.714	3.325	0	50	BGAA	
Nc1cccc(-c2cc3ccccn3c2)c1	12350724	NLWIZLJDKPHLNQ-UHFFFAOYSA-N	208.264	3.189	0	50	BGAA	
Cc1ccnc2ccc(Br)cc12	32099247	XBZQSJLYRMZRSZ-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	
Oc1cccc(Br)c1C(F)(F)F	91692984	WKNXFUUIDHXHMQ-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
C[C@@H]1C[C@@H](C)[C@@](O)(c2ccccc2)C(C)(C)N1C	96026967	NYYYKYZRBDJDOM-XJKCOSOUSA-N	247.382	3.013	0	50	BGAA	
CSC(C)(C)CN[C@@H]1CCC12CCC2	225733283	GQPXSGVZKUPEQI-SNVBAGLBSA-N	213.390	3.050	0	50	BGAA	
CCCOc1cc(O)cc(C(F)(F)F)c1	261494494	YYEWJUUSTCIDMI-UHFFFAOYSA-N	220.190	3.200	0	50	BGAA	
O=C(c1ccccc1)N1CC=C(c2ccccc2)C1	334246518	UQUHTGUFUHLQDN-UHFFFAOYSA-N	249.313	3.226	0	50	BGAA	
Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F	396125260	HGJKYQUGFDBWMU-UHFFFAOYSA-N	223.125	3.061	0	50	BGAA	
C[C@H]1CC[C@H](n2cc(-c3ccccc3)nn2)C1	585124274	KLFSZANXUKIBLY-AAEUAGOBSA-N	227.311	3.306	0	50	BGAA	
c1cc(-c2ccc3ocnc3c2)c2cn[nH]c2c1	1240313709	QRQREQOGJAARMR-UHFFFAOYSA-N	235.246	3.371	0	50	BGAA	
Cc1nc2cc(-c3cccnc3N)ccc2s1	1243474057	IMNAGMKKCGLPJB-UHFFFAOYSA-N	241.319	3.249	0	50	BGAA	
Cc1ccc(C(=O)N[C@H]2CCC[C@H](C)C2)cc1	407534	RETFJFAJKJBJAY-JSGCOSHPSA-N	231.339	3.304	0	50	BGAA	
COc1ccc(C(=O)c2ccc(F)c(F)c2)cc1	4255149	ONOCBOBFQRIUIS-UHFFFAOYSA-N	248.228	3.204	0	50	BGAA	
CC(C)(C)c1ccc(-c2nnco2)cc1	6703550	CRGSMSNUTNRNQM-UHFFFAOYSA-N	202.257	3.034	0	50	BGAA	
O=C(CC1CCCC1)Nc1ccccc1	17154671	LNZYXSKSJGMZDN-UHFFFAOYSA-N	203.285	3.205	0	50	BGAA	
COc1cc2c(Br)cccc2cn1	71788848	AQOJBAYGTPZJAY-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	
CC[C@@H]1CCC[C@@H]1N[C@H](C)c1ccccn1	225393222	PFNKOELXWPCNEL-BZPMIXESSA-N	218.344	3.311	0	50	BGAA	
Clc1ncc2sc(Br)cc2n1	238572467	MLPFDSQMVKSOGV-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
Cc1ccc(CCNc2ccccc2C)cn1	54762	ZVKBCTFIIZNGRV-UHFFFAOYSA-N	226.323	3.353	0	50	BGAA	
O=C(Nc1c(F)cccc1F)c1ccccc1	610287	PTLDWNXJEKWHQI-UHFFFAOYSA-N	233.217	3.217	0	50	BGAA	
Clc1ccc2c(c1)c1c3n2CCN[C@H]3CCC1	4859461	NKUATTPCTPEBMV-LBPRGKRZSA-N	246.741	3.275	0	50	BGAA	
Cc1cc(C(=O)N2CCCCCCC2)cs1	6730142	ASSCUJDTURVYSC-UHFFFAOYSA-N	237.368	3.463	0	50	BGAA	
c1ccc2cc(NC[C@H]3CCCN3)ccc2c1	12404763	ODOOCQWSWZWLQU-OAHLLOKOSA-N	226.323	3.004	0	50	BGAA	in-vitro
Cc1csc(NC(=O)c2csc(C)c2)n1	16605811	JHKHFHZIISOHNL-UHFFFAOYSA-N	238.337	3.074	0	50	BGAA	
c1ccc(CCNCc2ccccc2)cc1	19230144	UPABQMWFWCMOFV-UHFFFAOYSA-N	211.308	3.019	0	50	BGAA	in-vitro
S=C1Nc2ccccc2[C@@H](c2ccccc2)N1	33852691	KGYGEGTZCZIKMX-CYBMUJFWSA-N	240.331	3.076	0	50	BGAA	
Fc1ccccc1-c1noc(C2CCC2)n1	273728443	NIJSLRBMVHWTJB-UHFFFAOYSA-N	218.231	3.143	0	50	BGAA	
O=C(O)c1ccc(-c2cccc(Cl)c2)o1	156743	OWEBZHHXEPQWQW-UHFFFAOYSA-N	222.627	3.298	0	50	BGAA	
CC(C)c1ccc(C(=O)Nc2ccncc2)cc1	475847	ZAUARUIJXOAELV-UHFFFAOYSA-N	240.306	3.457	0	50	BGAA	
O=Cc1ccc(COc2ccccc2Cl)o1	2505996	CKWUGYZFDKUGMW-UHFFFAOYSA-N	236.654	3.325	0	50	BGAA	
Clc1ccccc1CNCc1ccncc1	4897214	SGDXBICEGHWCLB-UHFFFAOYSA-N	232.714	3.025	0	50	BGAA	in-vitro
Sc1nc2cc(Br)ccc2s1	5589305	OKHQGCOLOHTELL-UHFFFAOYSA-N	246.154	3.348	0	50	BGAA	in-vitro
CCNC(=O)N[C@H](CC)c1ccc(Cl)cc1	13328998	NTGSVNVYZJPMMY-LLVKDONJSA-N	240.734	3.110	0	50	BGAA	
CCC(=O)N[C@@H](C)CC(C)(C)c1ccccc1	72442328	LHPFCCLPSCSZMJ-LBPRGKRZSA-N	233.355	3.269	0	50	BGAA	
C[C@H]1C[C@@H](C)C[C@H](OC(=O)c2ccco2)C1	247859764	FIKQUSILOYALPR-URLYPYJESA-N	222.284	3.261	0	50	BGAA	
CC(C)Oc1c(F)ccc(Cl)c1F	261493806	JTAFEXKIJSOMFR-UHFFFAOYSA-N	206.619	3.405	0	50	BGAA	
Fc1ccc(-c2cc[nH]n2)cc1C(F)(F)F	725272786	MQUYGRVFFFDSGO-UHFFFAOYSA-N	230.164	3.235	0	50	BGAA	
Cc1[nH]c2c(Cl)c(Cl)ccc2c1CCN	91949	RKLLUQRANMGAGX-UHFFFAOYSA-N	243.137	3.284	0	50	BGAA	in-vitro
CC(C)C(=O)Nc1ccc(C(C)C)cc1	1016944	RWQNIWJSXCFWHI-UHFFFAOYSA-N	205.301	3.405	0	50	BGAA	
CC(C)CNCc1ccc(Br)cc1	5817287	ZAZUAQYXVDICRO-UHFFFAOYSA-N	242.160	3.195	0	50	BGAA	in-vitro
CCCCOc1cc(C(=O)O)c2ccccc2n1	34083382	ZISCTCXYESUBGA-UHFFFAOYSA-N	245.278	3.112	0	50	BGAA	
Fc1ccc2ncc(Br)cc2c1	84308541	BDFONODCJLSXEP-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
CCn1ncc2ccc(C)c(Br)c21	709864475	POXMJHOECFKGAU-UHFFFAOYSA-N	239.116	3.127	0	50	BGAA	
C[C@@H]1CCC(=O)C[C@H]1OC1CCCCC1	725363026	WMCQHYAITSZOIQ-ZWNOBZJWSA-N	210.317	3.093	0	50	BGAA	
CCC(C)(C)O[C@H]1CC(=O)CCC1(C)C	725363453	YOACIYGMQKHRHV-NSHDSACASA-N	212.333	3.339	0	50	BGAA	
C[C@@H](O)c1cc(-c2ccc(Cl)cc2)no1	167410	SQYVFTREWNTIKO-SSDOTTSWSA-N	223.659	3.048	0	50	BGAA	
Cc1cc(N)cc2[nH]c(-c3ccccc3)nc12	361081	SYANUMFPPNVWHF-UHFFFAOYSA-N	223.279	3.121	0	50	BGAA	
c1cncc(-c2noc(CCC3CCCC3)n2)c1	618366	SVHFBBUSUJCBIP-UHFFFAOYSA-N	243.310	3.254	0	50	BGAA	
Cc1c2c(nn1-c1ccccc1)C[C@H]1[C@@H]2C1(C)C	1513388	KQMINNNRYGRYFH-WFASDCNBSA-N	238.334	3.476	0	50	BGAA	
O=C(Nc1ccc(O)cc1)OCc1ccccc1	1610485	JZBJRJOBCACFQX-UHFFFAOYSA-N	243.262	3.141	0	50	BGAA	
Cc1ccc(NC(=O)N2CCCC2)cc1Cl	4542375	WGTDAEFTOHMJOY-UHFFFAOYSA-N	238.718	3.276	0	50	BGAA	
CCCOc1ccc(C=O)cc1CN(CC)CC	6659914	WPMCXIOCQWBLQK-UHFFFAOYSA-N	249.354	3.130	0	50	BGAA	
O=C(c1ccccc1F)N1CCCCCCC1	6698795	ISGFTFPNWNDZFT-UHFFFAOYSA-N	235.302	3.232	0	50	BGAA	
O=C(N[C@H]1C=CCCC1)c1cccc2[nH]ccc12	137308312	OGLCAXLDAPGXCI-NSHDSACASA-N	240.306	3.006	0	50	BGAA	
Fc1ccc(CN2CCCC23CCCC3)cn1	378349081	IWUFGWZASOQTDT-UHFFFAOYSA-N	234.318	3.129	0	50	BGAA	
CC[C@H](C)S[C@H]1CC(=O)CC[C@H]1C	725361638	MUIYDUASWVMMID-YWVKMMECSA-N	200.347	3.276	0	50	BGAA	
CC[C@@H]1C=CCN1C(=O)CCCc1cccs1	952990307	YBWZEPCHUZDVQW-GFCCVEGCSA-N	249.379	3.248	0	50	BGAA	
C=CC(=O)NCC1CCC(c2ccccc2)CC1	1120552844	MSFXMCORNOFUNL-UHFFFAOYSA-N	243.350	3.263	0	50	BGAA	
CCc1ccc(-c2cnn(CC)c2C)cc1	2356150174	PEPYIOGQSODHIK-UHFFFAOYSA-N	214.312	3.441	0	50	BGAA	
Cc1ccccc1-n1nc(C(C)(C)C)cc1N	252709	SNMGAKOWUHTEKD-UHFFFAOYSA-N	229.327	3.060	0	50	BGAA	in-vitro
O=C1N[C@@H](c2ccc(Cl)cc2)c2ccccc21	396948	OMUHBVDRMKRVLW-ZDUSSCGKSA-N	243.693	3.173	0	50	BGAA	
O=C(O)Cc1ccc(-c2cc(F)cc(F)c2)cc1	2513035	INSAZACHUCPLOA-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	in-vitro
Fc1ccc(-c2ccc3[nH]ncc3c2)cc1	2547925	HKAWBFIKAUENTE-UHFFFAOYSA-N	212.227	3.369	0	50	BGAA	in-vitro
COc1ccc([C@@H](O)c2cccc(C)c2)cc1	4267981	KUDYMJXGUGLQGM-OAHLLOKOSA-N	228.291	3.085	0	50	BGAA	
O=C1OCC[C@@H]1c1ccc(Cl)c(Cl)c1	12650290	GATLSWXZDMNKKO-SSDOTTSWSA-N	231.078	3.024	0	50	BGAA	in-vitro
N#CNc1nccc(-c2cccc3ccccc23)n1	32072103	NGRFDTOQLHAEHW-UHFFFAOYSA-N	246.273	3.190	0	50	BGAA	
c1ccc(Oc2cccc(-n3cnnc3)c2)cc1	65408815	GVYVLCAXMPTRGW-UHFFFAOYSA-N	237.262	3.060	0	50	BGAA	
O=Cc1ccc(F)c(OCc2ccccc2)c1	86014426	SJTDGEBYNOHSTC-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
Clc1cc2c(cn1)[C@H]1C[C@H]2C[C@H]1Cl	101053186	LVICBBKQWQAMIJ-MTQIGAJGSA-N	214.095	3.317	0	50	BGAA	
Cc1cc(F)cc(F)c1Br	142427599	AWDCMWWKXLOYNE-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
CC(C)CO[C@@H]1C[C@H](OC(=O)C(C)C)C1(C)C	170634852	HYBCORWFNOXZJH-NEPJUHHUSA-N	242.359	3.025	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1NC[C@@H](C)C[C@@H]1C	757215049	UJQHMVTYHUUJKB-CCUNJIBTSA-N	243.354	3.178	0	50	BGAA	
CC(=O)c1sc(Nc2ccccc2)nc1C	153609	UIIUOFPGDKBCEZ-UHFFFAOYSA-N	232.308	3.398	0	50	BGAA	in-vivo
CCN(CC)Cc1c[nH]c2ccccc12	289955	RCGABEQHDDFFRR-UHFFFAOYSA-N	202.301	3.010	0	50	BGAA	
Cc1cc(=O)c2ccccc2n1Cc1ccccc1	472584	CRVXOPAQECOJBS-UHFFFAOYSA-N	249.313	3.358	0	50	BGAA	
CCC(=O)Nc1c(C)c(CC)nc2ccccc12	506941	GMNYEVUYPXEERR-UHFFFAOYSA-N	242.322	3.454	0	50	BGAA	biogenic
Cc1ccc(C(=O)C(F)(F)F)c(C)c1	2378560	KYXIHKXHBSORRJ-UHFFFAOYSA-N	202.175	3.048	0	50	BGAA	
COc1cccc([C@H](O)c2ccc(Cl)cc2)c1	4242590	CBQAUTIENGBUKR-CQSZACIVSA-N	248.709	3.430	0	50	BGAA	
c1ccc2c(CCC3CCNCC3)c[nH]c2c1	4674528	SADQVAVFGNTEOD-UHFFFAOYSA-N	228.339	3.100	0	50	BGAA	investigational
Nc1ccccc1C(=O)c1ccccc1Cl	5421207	PKSVTEMCGNQIMD-UHFFFAOYSA-N	231.682	3.153	0	50	BGAA	
C[C@@H]1CC[C@@H]2[C@@H](C1)OCSC2(C)C	36404888	PNVITKURGNERLY-OPRDCNLKSA-N	200.347	3.291	0	50	BGAA	
c1ccc(Cc2n[nH]c(CC3CCCC3)n2)cc1	65388039	TZWOONAECKKDTJ-UHFFFAOYSA-N	241.338	3.128	0	50	BGAA	
C[C@H]1CNc2cc(Br)ccc2S1	162423123	OXGZXQCNNSQISU-LURJTMIESA-N	244.157	3.355	0	50	BGAA	
CCOC(=O)[C@H](C)[C@@H](C)c1ccc(F)cc1	259479401	ADESQKOOUKEVNB-NXEZZACHSA-N	224.275	3.128	0	50	BGAA	
COc1ccc(-c2ccncc2C)cc1OC	426662111	LZTRLKXUXVVBKB-UHFFFAOYSA-N	229.279	3.074	0	50	BGAA	
Cc1conc1CN[C@H](c1ccccc1)C(C)C	708315430	QEIYYKLCABBLGX-HNNXBMFYSA-N	244.338	3.470	0	50	BGAA	
Cc1ccc(NC(=O)N2CCCCC2)c(C)c1	398076	YPHOYXUZJKBVIA-UHFFFAOYSA-N	232.327	3.321	0	50	BGAA	
CCCOc1cc(C)cc2oc(=O)cc(C)c12	2841394	ZABCUPGLXABHBO-UHFFFAOYSA-N	232.279	3.199	0	50	BGAA	biogenic
CCC[C@@H](C)NC(=O)/C=C/c1ccccc1	2843945	FGLPEUNBPMOYFH-HCRIHEDKSA-N	217.312	3.005	0	50	BGAA	
CCCCNCCOc1ccc(C)cc1C	2932213	DBASKEXELMKOIU-UHFFFAOYSA-N	221.344	3.072	0	50	BGAA	
Nc1c(Cl)ccc(Br)c1Cl	72194105	JALFSYRRNYYSQQ-UHFFFAOYSA-N	240.915	3.338	0	50	BGAA	
CC(C)(C)Cc1ccc2c(c1)[C@H](O)CCO2	148818553	UDVHACDNVNMROD-GFCCVEGCSA-N	220.312	3.091	0	50	BGAA	
CC(C)[C@H]1COC(c2nccc3ccccc23)=N1	212637074	OMIXBHKYBIDFKX-CYBMUJFWSA-N	240.306	3.036	0	50	BGAA	
CC(C)c1onc(-c2cccs2)c1C(=O)O	675057528	IDSNPXYNTCLRQT-UHFFFAOYSA-N	237.280	3.225	0	50	BGAA	
CC(C)NC(=O)c1ccc(Cl)c(Cl)c1	29888	HRQFVHHYFOMACR-UHFFFAOYSA-N	232.110	3.132	0	50	BGAA	
COc1ccccc1CN[C@H]1CCCC[C@H]1C	183474	FYWXKQKJNZOYEM-OCCSQVGLSA-N	233.355	3.364	0	50	BGAA	
C[C@@H](NC(=O)/C=C/c1ccco1)c1ccccc1	184732	OFKYQEVKAKAWCT-BZYZDCJZSA-N	241.290	3.170	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(F)cc1F	456402	GGUFCVBFBJLYBN-QMMMGPOBSA-N	227.254	3.340	0	50	BGAA	
C[C@H](NC(=O)Cc1cccs1)c1ccccc1	477533	AOIIVEKHPUBMTG-NSHDSACASA-N	245.347	3.168	0	50	BGAA	
O=C(O)c1ccc(-c2ccc(F)cc2)cc1	2382451	LXWNTLBMNCXRQN-UHFFFAOYSA-N	216.211	3.191	0	50	BGAA	in-vivo
COC(=O)Cc1coc2cc(C)c(Cl)cc12	4840247	OTCXVMXRTSEQSG-UHFFFAOYSA-N	238.670	3.110	0	50	BGAA	
Cc1cccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1	18179515	MWGTWZBYNFUISA-BETUJISGSA-N	231.339	3.113	0	50	BGAA	
Fc1cc2c(Cl)n[nH]c2cc1Br	71790127	CLYCEHXHPJNOCE-UHFFFAOYSA-N	249.470	3.118	0	50	BGAA	in-vitro
FCc1c(F)cc(Br)cc1F	113103928	OZOCUBCAODEVIM-UHFFFAOYSA-N	225.007	3.197	0	50	BGAA	
CC(C)(C)c1ccc(C(=O)Nc2cn[nH]c2)s1	130835927	FSZMGXGYVFKEBD-UHFFFAOYSA-N	249.339	3.021	0	50	BGAA	
Cc1ccc(CO)c(-c2cnc(C(C)(C)C)o2)c1	904808314	FZKJFTMGLFLFDT-UHFFFAOYSA-N	245.322	3.440	0	50	BGAA	
COc1cc(F)ccc1-c1cccc2[nH]ncc12	1240312469	KLENFGSVNOSDQD-UHFFFAOYSA-N	242.253	3.378	0	50	BGAA	
CN1c2ccccc2N(C)C1c1ccccc1	225668	VDFIVJSRRJXMAU-UHFFFAOYSA-N	224.307	3.271	0	50	BGAA	
O=C(Nc1cccc(F)c1)c1ccccc1	347547	KOUNOYCEOGJXJH-UHFFFAOYSA-N	215.227	3.078	0	50	BGAA	
Cc1[nH]c2ccc(Cl)cc2c1CCC(=O)O	1995740	BTGZRYNYFFQYJP-UHFFFAOYSA-N	237.686	3.147	0	50	BGAA	
O[C@H]1C[C@H](c2ccccc2)OC12CCCCC2	4006076	IUFAYZPJUHEQNQ-KGLIPLIRSA-N	232.323	3.212	0	50	BGAA	
Cc1cc(C)[n+](-c2ccccc2C)c(C)c1	5422896	YKMDLXMHVWKJJG-UHFFFAOYSA-N	212.316	3.197	0	50	BGAA	
CC(C)(C)Oc1cccc(Br)n1	21982654	ZQRVWDAISRXUPX-UHFFFAOYSA-N	230.105	3.021	0	50	BGAA	in-vitro
COc1ccc2[nH]c(Cc3ccccc3)nc2c1	40169853	ZCDXPXLZBRYOEV-UHFFFAOYSA-N	238.290	3.162	0	50	BGAA	
Cc1cc(F)c(Br)cc1S	67794464	QMOWUZVKXPQDQS-UHFFFAOYSA-N	221.094	3.185	0	50	BGAA	
O=C(C1[C@H]2CCCC[C@H]12)N1CCc2ccccc21	109100219	HAMKOZVQONOKLK-STQMWFEESA-N	241.334	3.012	0	50	BGAA	
Cc1cc2ccccc2c(C(=O)O)c1C	113966575	RBBDPYXZGDGBSL-UHFFFAOYSA-N	200.237	3.155	0	50	BGAA	
CC1=CC[C@H]2CO[C@H](c3cccnc3)[C@H]1C2	139325216	CFPAFLNPSULJOL-KWCYVHTRSA-N	215.296	3.125	0	50	BGAA	
CO[C@H](C)c1ccc(-c2ccc(C)nc2N)cc1	426477270	SZZCSWOVMVUOBJ-LLVKDONJSA-N	242.322	3.347	0	50	BGAA	
CNC(=S)Nc1c(C)ccc2ccccc12	1396302	SLHOADKVCQPFPT-UHFFFAOYSA-N	230.336	3.064	0	50	BGAA	
O=C(O)CCc1c(Cl)cccc1Cl	2574321	IDEOVPXKPDUXTP-UHFFFAOYSA-N	219.067	3.011	0	50	BGAA	in-vitro
Cc1cc2c(cc1C)C(=O)c1ccccc1C2	3080764	FYUFQYJYIHJBDD-UHFFFAOYSA-N	222.287	3.439	0	50	BGAA	
FC(F)(F)c1cc(-c2ccco2)nc(S)n1	5731212	ZHEDQJNIHUKDHS-UHFFFAOYSA-N	246.213	3.044	0	50	BGAA	
CCNCCOc1ccc([C@@H](C)CC)cc1	6702328	HUNPBFXFEADFAW-LBPRGKRZSA-N	221.344	3.188	0	50	BGAA	
COc1ccccc1NC(=S)c1ccccc1	8829729	RUHLUUNUEACYMX-UHFFFAOYSA-N	243.331	3.483	0	50	BGAA	
Cc1cc(C)n(C(=O)CCCc2ccccc2)n1	13324028	VUNJYHXXLNMBTO-UHFFFAOYSA-N	242.322	3.163	0	50	BGAA	
CCNC(=O)N[C@@H](CC)c1ccc(Cl)cc1	13328996	NTGSVNVYZJPMMY-NSHDSACASA-N	240.734	3.110	0	50	BGAA	
CCCC[C@@H](CO)N[C@H](C)CCc1ccccc1	32592813	FEJDGPLMLCGCDK-ZBFHGGJFSA-N	249.398	3.148	0	50	BGAA	
CC(C)(C)[C@@H]1CCC(Cl)=C(CO)C1	43198776	VPUDFRSNLDVBDN-SECBINFHSA-N	202.725	3.318	0	50	BGAA	
CC[C@@H]1Oc2ccc(C(C)C)cc2C1=O	113208583	YEYQPRSXXGQBLD-NSHDSACASA-N	204.269	3.164	0	50	BGAA	
Fc1cc(Cl)cc2c(Cl)ncnc12	160096773	BVBYNWPRFHMXTC-UHFFFAOYSA-N	217.030	3.076	0	50	BGAA	
CCc1csc(COCc2ccccc2)n1	174098515	RDIXUHNYFGWAFP-UHFFFAOYSA-N	233.336	3.422	0	50	BGAA	
c1ccc2c(N[C@@H]3CCCOCC3)nccc2c1	310936269	IMPKVZYHNZALSF-CYBMUJFWSA-N	242.322	3.216	0	50	BGAA	
O=C(CC1CCC1)N1CCCC2(CCCC2)C1	336485216	YXSBLXXIBLQIMQ-UHFFFAOYSA-N	235.371	3.359	0	50	BGAA	
CCCc1nnc2n1C(C)(C)Cc1ccccc1-2	104144	PKTLCYHMJFZLKT-UHFFFAOYSA-N	241.338	3.189	0	50	BGAA	
COc1ccc(/C=C/c2ccncc2)cc1	152050	YOTHHWBAADYJST-NSCUHMNNSA-N	211.264	3.261	0	50	BGAA	biogenic
CC[C@@H](C)NC(=O)Nc1ccccc1Cl	401576	VGMMMKWQLNBRPO-MRVPVSSYSA-N	226.707	3.260	0	50	BGAA	
O=C1O[C@H](Nc2cccc(F)c2)c2ccccc21	434113	QYACWYZJDSZNBR-ZDUSSCGKSA-N	243.237	3.107	0	50	BGAA	
O[C@@H](c1ccccc1)C(Cl)(Cl)Cl	2039020	ABFRBTDJEKZSRM-ZETCQYMHSA-N	225.502	3.090	0	50	BGAA	
O=C(Nc1ccccc1F)C1CCCCC1	4666137	STBYGBBGUVUHTK-UHFFFAOYSA-N	221.275	3.345	0	50	BGAA	
Cc1c(Cl)cccc1NC(=O)NC(C)C	6726650	JRQOVNOHOAVODF-UHFFFAOYSA-N	226.707	3.178	0	50	BGAA	
O=Cc1cc(Cl)nc(-c2ccccc2)c1	43162860	OKEUFBMZLYKVAG-UHFFFAOYSA-N	217.655	3.215	0	50	BGAA	
COc1c(Cl)cccc1Br	65337262	NWOYYECMNBWCNK-UHFFFAOYSA-N	221.481	3.111	0	50	BGAA	in-vitro
Clc1c(Cn2cnnc2)sc2ccccc12	65503048	QHWJUCUHODTSRX-UHFFFAOYSA-N	249.726	3.195	0	50	BGAA	
C1=C[C@@]23C=C[C@@]2(C=C1)Cc1ccccc1C3	101037722	DMKOUSPOSKNGHP-HOTGVXAUSA-N	206.288	3.454	0	50	BGAA	
OCC[C@H]1c2ccccc2-c2cscc21	306146047	MZUKZVGCSFZCNX-NSHDSACASA-N	216.305	3.243	0	50	BGAA	in-vitro
Cc1ncccc1CN1C[C@H]2CCC[C@@H](C2)C1	335188100	GLKZHZPFROJLEK-KBPBESRZSA-N	230.355	3.012	0	50	BGAA	
Cc1nc(-c2cccnc2)c2ccccc2n1	426382636	IUVIMGIUBTXAGH-UHFFFAOYSA-N	221.263	3.000	0	50	BGAA	
Cc1ccc(-c2c(F)cncc2F)cc1F	669380982	UWJYYPKYCFZOMY-UHFFFAOYSA-N	223.197	3.474	0	50	BGAA	
C=Cc1ccc(-c2ccc(C=O)nc2)cc1	725241318	KAQGXIONIFERNI-UHFFFAOYSA-N	209.248	3.204	0	50	BGAA	
Cc1cc2c[nH]nc2cc1C1C[C@H](C)N[C@@H](C)C1	757213085	NXJYVJMJISDSNA-QWRGUYRKSA-N	243.354	3.115	0	50	BGAA	
C=CC(=O)N[C@H](C)c1csc2ccccc12	1120459704	JVWKXMLKQMVTLI-SECBINFHSA-N	231.320	3.265	0	50	BGAA	
O=C(Nc1cccc2ccccc12)C(F)(F)F	46261	DASQPWURVZDKPV-UHFFFAOYSA-N	239.196	3.341	0	50	BGAA	biogenic
COC(=O)c1cccc(Oc2ccccc2)c1	165554	GWNMDCSPTJONPD-UHFFFAOYSA-N	228.247	3.266	0	50	BGAA	in-vitro
CCOc1ccccc1CNCc1cccs1	360086	FTZLECALGLYPFB-UHFFFAOYSA-N	247.363	3.437	0	50	BGAA	
Brc1cccc(N2CCCCC2)c1	2526693	PMTXPOLLPCSCBE-UHFFFAOYSA-N	240.144	3.439	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)Nc1nccs1	3958929	NFCUHPKDBMUKJD-UHFFFAOYSA-N	233.296	3.096	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1Cl)NC1CC1	6731202	SMMVMBYOEDPUCQ-UHFFFAOYSA-N	245.109	3.277	0	50	BGAA	
CCCNC(=O)c1oc2ccc(C)cc2c1C	11692727	YYFOONHTUXOMBA-UHFFFAOYSA-N	231.295	3.189	0	50	BGAA	
Fc1cccc(OCc2ccccc2)c1	16158527	DIQOSFBOCFVINE-UHFFFAOYSA-N	202.228	3.405	0	50	BGAA	in-vitro
COC(=O)c1cc(Cl)nc(-c2ccccc2)c1	40450129	XYBNNKQNJNRUQN-UHFFFAOYSA-N	247.681	3.189	0	50	BGAA	
CCCc1nc2c(cnn2[C@@H](C)CCC)[nH]1	55342791	GBKBIYFNAFCBSS-VIFPVBQESA-N	220.320	3.073	0	50	BGAA	
Fc1cnc2c(Br)cccc2c1	71255611	QJXZJENSGNZKFV-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
O=C(O)CC[C@@H](c1ccccc1)c1ccccn1	71773205	CLJCFMBMUJLYRX-ZDUSSCGKSA-N	241.290	3.078	0	50	BGAA	
O[C@@H]1c2ccccc2[C@H]2C[C@H]1c1ccccc12	104254855	SULWBOJGJLWVLI-HRCADAONSA-N	222.287	3.353	0	50	BGAA	
OCc1cc2c(C(F)(F)F)cccc2s1	116988406	XUDDVVAJVSCFRT-UHFFFAOYSA-N	232.226	3.412	0	50	BGAA	
Cc1ccncc1NC(=O)CC1CCCCC1	264256789	PPFPAWYBPNGJHZ-UHFFFAOYSA-N	232.327	3.299	0	50	BGAA	
Cc1nc(C)c(-c2csc(CC3CC3)n2)o1	273342205	NMTJSKPSCLGUDV-UHFFFAOYSA-N	234.324	3.367	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1C[C@@H](C)C[C@H](C)N1	757209898	GPQNZHQKCHCZEH-CHIMOYNISA-N	243.354	3.320	0	50	BGAA	
NC(=S)Nc1ccc(C2CCCCC2)cc1	100288	NUOXMWHYKUBMNI-UHFFFAOYSA-N	234.368	3.390	0	50	BGAA	
O=C(CCCc1ccccc1)NC1CCCCC1	365623	NWKPABISVRIQLP-UHFFFAOYSA-N	245.366	3.458	0	50	BGAA	in-vivo
CCN(CC)C(=O)Nc1ccc(C)c(C)c1	397101	XRDZEKQOPUULPM-UHFFFAOYSA-N	220.316	3.177	0	50	BGAA	
Nc1nc(-c2ccccc2C(F)(F)F)cs1	3722654	UMOADFQOSPEYMB-UHFFFAOYSA-N	244.241	3.411	0	50	BGAA	
O=C(O)c1csc2ccc(Cl)cc12	4277226	RTBIQTHYQWFIAO-UHFFFAOYSA-N	212.657	3.253	0	50	BGAA	
CCc1cc2c(N3CCCC3)nc(C)nc2s1	4488386	MFXLPVMJNXDXPE-UHFFFAOYSA-N	247.367	3.162	0	50	BGAA	
CCN(CC)CCOc1c(C)cccc1C	4769115	CUPDSRNSEOOMSW-UHFFFAOYSA-N	221.344	3.024	0	50	BGAA	
CC[C@@H](C)c1ccccc1O[C@H](C)C(=O)O	9877281	RVCUDPXOVJSAHP-NXEZZACHSA-N	222.284	3.052	0	50	BGAA	in-vitro
O=C1Nc2ccccc2[C@@H]1Cc1ccccc1F	15017122	FYRXYFBKFLKHMC-LBPRGKRZSA-N	241.265	3.104	0	50	BGAA	
c1ccc(CCC2=NCCCS2)cc1	26479275	ZLIQZTDJNQRQIQ-UHFFFAOYSA-N	205.326	3.155	0	50	BGAA	
O=C(O)c1ccc(F)c(-c2ccccc2F)c1	47204151	SKJJIFCEFYJFSU-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
CCC(C)(C)NC(=O)c1ccc(Cl)cc1F	51203722	MBQZRFDAHMGQEI-UHFFFAOYSA-N	243.709	3.398	0	50	BGAA	
CC(C)(C)P(CCCN)C(C)(C)C	86033040	PREMCOLELPAPBB-UHFFFAOYSA-N	203.310	3.414	0	50	BGAA	
COC(=O)c1ccccc1SCC(C)C	97363621	KMFGGSRGBZOBHT-UHFFFAOYSA-N	224.325	3.221	0	50	BGAA	
CCn1nc(C)c(-c2ccccc2OC)c1C	1616036479	MWYGTXNDANECBO-UHFFFAOYSA-N	230.311	3.195	0	50	BGAA	
CCOC(=O)/C=C(\C)c1ccc(Cl)cc1	1391580	WMMPVJPERVUHJT-CMDGGOBGSA-N	224.687	3.306	0	50	BGAA	
CCn1cc(-c2ccccc2)c(C(=O)O)c1C	2565493	KGASOPILNXWTPW-UHFFFAOYSA-N	229.279	3.182	0	50	BGAA	in-vitro
COc1ccc(CCN[C@@H]2CC[C@H](C)C2)cc1	4986919	TYKCGNAKDVLBTF-GXTWGEPZSA-N	233.355	3.016	0	50	BGAA	
Fc1ccccc1CNc1ccc2[nH]ncc2c1	23282597	ZNCVFTDOMKXHOQ-UHFFFAOYSA-N	241.269	3.314	0	50	BGAA	
CC(=O)c1ccc(OCCCF)c(Cl)c1	127145394	HMGVYQGOZZQVNV-UHFFFAOYSA-N	230.666	3.281	0	50	BGAA	
Cn1cc(-c2ccnc(Cl)n2)c2ccccc21	142497630	IIBWXYHPBMUNJP-UHFFFAOYSA-N	243.697	3.289	0	50	BGAA	in-vitro
Cc1c(Cl)cc(Cl)cc1/C=C/C(=O)O	263624556	ROCYHHOQCGQXAJ-NSCUHMNNSA-N	231.078	3.400	0	50	BGAA	
CCSCCSCc1cccc(F)n1	408522854	MRVCZNZXNJHEAX-UHFFFAOYSA-N	231.361	3.207	0	50	BGAA	
Cc1cscc1-c1ccc2nc(CO)[nH]c2c1	426701800	ZMKMQPRUNFOSAR-UHFFFAOYSA-N	244.319	3.092	0	50	BGAA	
CC[C@H]1CCC(=O)C[C@H]1OC1CCCC1	725363048	WXVRYPLBMZIGGA-GXFFZTMASA-N	210.317	3.093	0	50	BGAA	
Cc1cccc(CN(C)CCc2ccccn2)c1	247514	DRXCKFKJCBLSLA-UHFFFAOYSA-N	240.350	3.065	0	50	BGAA	
COc1ccc(CNc2cccc(F)c2)cc1	280316	QOWKSOPZXAWJGZ-UHFFFAOYSA-N	231.270	3.446	0	50	BGAA	
Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)o1	375531	CSQFCMFIKCILBU-UHFFFAOYSA-N	229.279	3.457	0	50	BGAA	
CC(C)c1ccc(C[C@H](C)C(=O)O)cc1	545770	FLMVHZOJMRGXRO-JTQLQIEISA-N	206.285	3.073	0	50	BGAA	
Cc1ccc(OCCCN2CCCC2)c(C)c1	2494136	SNTAZEDPTDOUDD-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
COc1c(C)cc(C(=O)C(F)(F)F)cc1C	4255637	TUZULLSDLGAQMV-UHFFFAOYSA-N	232.201	3.057	0	50	BGAA	
CCOC(=O)c1ccc(-c2ccccc2)nc1C	5461808	MZYVLAQGPZYJJQ-UHFFFAOYSA-N	241.290	3.234	0	50	BGAA	
CC(C)OC(=O)c1cc(C(C)C)sc1N	5522725	RAYZUUQQCZPSAR-UHFFFAOYSA-N	227.329	3.019	0	50	BGAA	in-vitro
Cc1ccc(NC(=O)Nc2ccccn2)c(C)c1	6715426	UPDLAPVNHMPLTD-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
Cc1ccc(C)c([C@H](C)NC(=O)C2CCC2)c1	6726780	DHXZZGVIEYYMEH-LBPRGKRZSA-N	231.339	3.281	0	50	BGAA	
CNCc1ccccc1Oc1ccc(F)cc1F	34664229	DJNXHZDWTQNOFK-UHFFFAOYSA-N	249.260	3.477	0	50	BGAA	
C[C@H](O)c1ccccc1OCc1ccc(F)cc1	35627140	DWXXEQGXQGCSJG-NSHDSACASA-N	246.281	3.458	0	50	BGAA	in-vitro
CCOC(=O)c1ccc(C)c2ccccc12	43503620	QZCQWXSXNQPZKQ-UHFFFAOYSA-N	214.264	3.325	0	50	BGAA	
Cc1cc(Nc2cccc(Cl)c2C)nc(N)n1	72438118	PRGYYYMUFILRLR-UHFFFAOYSA-N	248.717	3.073	0	50	BGAA	
Cc1csc(NC(=O)OC(C)(C)C)c1	88261551	VEOHXHWQOPBOLH-UHFFFAOYSA-N	213.302	3.404	0	50	BGAA	in-vitro
CC[C@H](N[C@H](C)c1ccc(C(C)C)cc1)C(=O)O	134945260	GNMIQLPRJHMTLV-RISCZKNCSA-N	249.354	3.324	0	50	BGAA	
Oc1ccc(-c2nccn2C2CC2)c(Cl)c1	1875249358	XJPKAGYWTCGYBZ-UHFFFAOYSA-N	234.686	3.244	0	50	BGAA	
CC1(C)c2ccccc2C(=O)C12CCC(=O)CC2	393266	DFQSSQNWNNFISJ-UHFFFAOYSA-N	242.318	3.290	0	50	BGAA	
Cc1cccc(NC(=O)NCc2ccco2)c1C	396620	NXCAKRFJABVBKB-UHFFFAOYSA-N	244.294	3.218	0	50	BGAA	
Cc1occc1C(=O)N[C@H](C)c1ccccc1	476306	UQQRUKNDGFCLTA-SNVBAGLBSA-N	229.279	3.079	0	50	BGAA	
CC(=O)O[C@H](C)C[C@@H](C)CC(C)(C)C	2267881	NBDTZVVEDLDLSG-NXEZZACHSA-N	200.322	3.400	0	50	BGAA	
CC(=O)c1cccc(-c2ccccc2C(=O)O)c1	2513018	UTXIAQYSGYZOOP-UHFFFAOYSA-N	240.258	3.254	0	50	BGAA	in-vitro
CCC(=O)c1ccc(C(F)(F)F)c(F)c1	2560200	FUSVMXQCFHNSHP-UHFFFAOYSA-N	220.165	3.437	0	50	BGAA	in-vitro
Clc1ccc(OCCCN2CCCC2)cc1	3110261	ZGQLABMXCVAVBY-UHFFFAOYSA-N	239.746	3.205	0	50	BGAA	
Cc1cc(NC(=O)N(C)C)ccc1C(C)C	4109994	BNRXAOCOHIHDTC-UHFFFAOYSA-N	220.316	3.212	0	50	BGAA	
Cc1cc(C)cc(OCCCN2CCCC2)c1	5535149	GKZDTIGZKCJXKR-UHFFFAOYSA-N	233.355	3.168	0	50	BGAA	
Cc1ccc(NC(=O)C(F)(F)F)cc1Cl	5547220	QAYBTXGTTUWWHN-UHFFFAOYSA-N	237.608	3.149	0	50	BGAA	
FC1(F)Oc2cc(Cl)c(Cl)cc2O1	39320666	VDFORELLOFIVJI-UHFFFAOYSA-N	226.993	3.315	0	50	BGAA	
CC(=O)c1cccc(-c2ccc(F)cn2)c1	65531848	MPGFIHYILBTNCP-UHFFFAOYSA-N	215.227	3.090	0	50	BGAA	
Cc1ccc([C@H](C)CCN(C)Cc2ccon2)o1	97425515	ZVSWVUHVGCBGKT-LLVKDONJSA-N	248.326	3.202	0	50	BGAA	
C[C@@H]1CC(C)(C)O[C@H]([C@@H]2CC=CCC2)O1	169705084	YVPPRQDLDOPKFY-IJLUTSLNSA-N	210.317	3.273	0	50	BGAA	
Cc1ccc(C)c(-c2ccc(F)c(C(N)=O)c2)c1	426707256	SEWMPHGZSYZRLA-UHFFFAOYSA-N	243.281	3.208	0	50	BGAA	
C[C@@H]1CCC[C@@H]1Nc1cc(C(F)F)ncn1	724635582	OHPIECNQZBNREJ-SFYZADRCSA-N	227.258	3.015	0	50	BGAA	
CCC(C)(C)O[C@@H]1CC(=O)CCC1(C)C	725363441	YOACIYGMQKHRHV-LLVKDONJSA-N	212.333	3.339	0	50	BGAA	
Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1	57534	HUCJFAOMUPXHDK-UHFFFAOYSA-N	244.382	3.145	0	50	BGAA	biogenic,fda
Cc1ccc(C(=O)n2cnc3ccccc32)cc1	101547	YLZMOQYZJDTTSR-UHFFFAOYSA-N	236.274	3.033	0	50	BGAA	
CC(=O)c1ccc(N2CCCC[C@@H]2C)c(F)c1	170322	ZPNLMIXWTTWCLV-JTQLQIEISA-N	235.302	3.407	0	50	BGAA	
COc1ccccc1C(=O)Nc1ccc(C)cc1	274495	ZJUKUMNDELIRBT-UHFFFAOYSA-N	241.290	3.256	0	50	BGAA	
Cc1cccc(NC(=O)NC2CCCC2)c1	399268	ULRBWZNRHGYFCB-UHFFFAOYSA-N	218.300	3.059	0	50	BGAA	
CSc1ccccc1C(=O)C(F)(F)F	2574723	RNBAEXYXSJBXPN-UHFFFAOYSA-N	220.215	3.154	0	50	BGAA	
Nc1ccc(C(=O)Nc2ccccc2Cl)cc1	3015410	ZMSXIPRVNDRUAW-UHFFFAOYSA-N	246.697	3.175	0	50	BGAA	
O=C(N1CCCCC1)C12CC3CC(CC(C3)C1)C2	4031797	BURUIZXRHQWZQI-UHFFFAOYSA-N	247.382	3.215	0	50	BGAA	in-vivo
CCCCc1nc2ccccc2n1[C@@H](C)C(=O)O	6721110	LOBBYRADWOPOQD-JTQLQIEISA-N	246.310	3.025	0	50	BGAA	
C1CC[C@@H]2S[C@@H]3CCCC[C@@H]3N=C2C1	19865169	IRXYYHMSABSUEY-WCQGTBRESA-N	209.358	3.428	0	50	BGAA	
CC(C)CNc1ccc(-c2ccccc2)nn1	20728969	CCMKMICRRSSTPI-UHFFFAOYSA-N	227.311	3.212	0	50	BGAA	
CC(C)(C)OC(=O)Nc1cccc(Cl)n1	21989976	UEYNRRQJJHZENW-UHFFFAOYSA-N	228.679	3.082	0	50	BGAA	in-vitro
Fc1cccc(Cl)c1CC1CCNCC1	36155495	DEEURGUWNFGESJ-UHFFFAOYSA-N	227.710	3.021	0	50	BGAA	
CCc1ccc(OC)cc1Br	98180476	PIPKSXJTPSSWRY-UHFFFAOYSA-N	215.090	3.020	0	50	BGAA	in-vitro
Cc1nc2cc(-c3ccnn3C)ccc2s1	1875247557	KCLMCHZDHTWJNR-UHFFFAOYSA-N	229.308	3.005	0	50	BGAA	
CCC[C@H](C)NC(=O)c1ccc(Cl)cc1	383523	JQFSPJVRVRSMOP-VIFPVBQESA-N	225.719	3.258	0	50	BGAA	
CCOP(=O)(NC1CCCCC1)OCC	1662389	XMUAKNOOEOGTHY-UHFFFAOYSA-N	235.264	3.090	0	50	BGAA	
CCc1ccccc1OCCCN[C@@H](C)CC	2822818	PMBZIGPMCXEXSW-ZDUSSCGKSA-N	235.371	3.406	0	50	BGAA	
COC(=O)c1cc2c(cc(C)c3ccccc32)[nH]1	6658223	UZZWVRSZDFWVDG-UHFFFAOYSA-N	239.274	3.416	0	50	BGAA	
COc1cccc(-c2ccc(O)cc2)c1	13840564	GZZXHAGDCYWOOA-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	
C1CCCC(NCCN2CCCCC2)CCC1	19636007	KOCDHOPTNIAIEX-UHFFFAOYSA-N	238.419	3.175	0	50	BGAA	
CCCC[C@H]1Sc2ccccc2NC1=O	38763446	MICJJPIKOOSMPZ-LLVKDONJSA-N	221.325	3.290	0	50	BGAA	
Cc1cc(Br)cc(N2CCCC2)c1	40456681	XCHZZMSGUDXAGD-UHFFFAOYSA-N	240.144	3.358	0	50	BGAA	in-vitro
O=C(c1c(F)cccc1Cl)C(F)(F)F	40571479	GQIZNXYVYPNMDC-UHFFFAOYSA-N	226.556	3.224	0	50	BGAA	
C[C@@H](NC(=O)C1CCCC1)c1ccc(F)cc1	49930109	KFKHNBQWBLMNAT-SNVBAGLBSA-N	235.302	3.193	0	50	BGAA	
Cc1ccc(C)c(-c2ccc(CN(C)C)cn2)c1	65434354	VWDVVSZJTVOCME-UHFFFAOYSA-N	240.350	3.427	0	50	BGAA	
Oc1c(Br)ccc2c1CCCC2	146081899	UMEVWYIMNWFRAF-UHFFFAOYSA-N	227.101	3.034	0	50	BGAA	
CCC(C)(C)C(=O)Nc1ccc2nc(C)[nH]c2c1	200485454	UMCJNMHGRUDEBH-UHFFFAOYSA-N	245.326	3.246	0	50	BGAA	
Oc1cc(OCc2ccccc2)ccc1F	261493647	GNEXGGOJHFERQX-UHFFFAOYSA-N	218.227	3.110	0	50	BGAA	
Cc1cc(C)cc(NC(=O)c2ccco2)c1	29984	RIQTWSWKKBIZJQ-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
O=C(NC1CCCCC1)[C@@H]1C[C@H]1c1ccccc1	276325	VSJGIFGDUPGZCZ-LSDHHAIUSA-N	243.350	3.239	0	50	BGAA	
CSc1ccccc1C(=O)Nc1cccnc1	339607	BXRKZFNWFJKHDN-UHFFFAOYSA-N	244.319	3.056	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)NC1CCCCC1	473404	KAHKBWDIMBADRZ-ZDUSSCGKSA-N	238.375	3.293	0	50	BGAA	
CC1CCN(c2ccc(N)cc2Cl)CC1	532170	KDGRQSQBUKTTMH-UHFFFAOYSA-N	224.735	3.159	0	50	BGAA	
O=C(O)CCCCc1nc2ccccc2s1	2359281	HHBVTXVPGVQCOD-UHFFFAOYSA-N	235.308	3.094	0	50	BGAA	
c1ccc(CCC[C@H]2CCCCN2)cc1	3734644	TZYMFYBXXDGLJD-CQSZACIVSA-N	203.329	3.151	0	50	BGAA	in-vitro
CC(C)(C)c1cc(NC(=O)C2CCCC2)no1	12381575	YALDNZSFJCJGQQ-UHFFFAOYSA-N	236.315	3.101	0	50	BGAA	
CO[C@@H](C)c1ccc(Br)cc1	14608636	DUCFFBWPWJEFDI-ZETCQYMHSA-N	215.090	3.157	0	50	BGAA	in-vitro
CC1(C)CNc2cc(Br)ccc2O1	34434137	WIQSBEQGGVTZRW-UHFFFAOYSA-N	242.116	3.032	0	50	BGAA	in-vitro
C[C@H](C(=O)c1ccc(Cl)cc1)N1CCCC1	35021123	ULRSISQFKHWZNP-SNVBAGLBSA-N	237.730	3.007	0	50	BGAA	in-vitro
COc1ccc2c(c1)[C@@H]1CCCC[C@@H]1C2=O	71774127	CAENESYYSOQKPN-MNOVXSKESA-N	216.280	3.165	0	50	BGAA	
COc1ccc(Br)cc1C(F)F	95218123	ICCUJGHZHVIYDJ-UHFFFAOYSA-N	237.043	3.395	0	50	BGAA	in-vitro
COC(=O)c1ccc(-c2ccc(F)c(F)c2)cc1	97757331	GYLKOEVRHGGQLB-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
FCCCNC1CC(c2ccc(F)cc2)C1	127867790	SPDPRCIIBSVRDS-UHFFFAOYSA-N	225.282	3.021	0	50	BGAA	
C=C(Cc1ccccc1Cl)C(=O)OCC	147260541	VTAOWWAFBSFWSG-UHFFFAOYSA-N	224.687	3.002	0	50	BGAA	
Cc1cc(Br)cc2c1CCC[C@H]2N	212474203	KZHWVUXPBOOSIZ-LLVKDONJSA-N	240.144	3.094	0	50	BGAA	
O=Cc1ccc(-c2cnc(Cl)c(F)c2)cc1	261508726	WGEVUJOYSYLOHN-UHFFFAOYSA-N	235.645	3.354	0	50	BGAA	
O=C(O)/C=C/c1ccc(Cl)c(Cl)c1F	263623100	DQKZHAUQTNMIOE-DUXPYHPUSA-N	235.041	3.230	0	50	BGAA	
CC(C)CC1(CNc2ncc(F)cn2)CCC1	301766864	IGFPRDIZQPQTCM-UHFFFAOYSA-N	237.322	3.244	0	50	BGAA	
CCCC(CCC)[S@@](=O)CCOC(C)C	747448088	ISTWADXPCTVNIM-HNNXBMFYSA-N	234.405	3.129	0	50	BGAA	
Cc1ccc2n[nH]cc2c1[C@@H]1C[C@H](C)C[C@@H](C)N1	757209903	GPQNZHQKCHCZEH-UDZFHETQSA-N	243.354	3.320	0	50	BGAA	
C[C@@H]1CCCCN1C(=O)c1ccccc1Cl	29154	YODXMLSIQUVJGG-SNVBAGLBSA-N	237.730	3.355	0	50	BGAA	
COC(=O)c1ccc(-c2ccccc2)cc1	86788	GATUGNVDXMYTJX-UHFFFAOYSA-N	212.248	3.140	0	50	BGAA	in-vitro
O=C(N[C@@H]1C[C@@H]1c1ccccc1)c1cccs1	128347	UDQIVIZMQAGWRK-VXGBXAGGSA-N	243.331	3.034	0	50	BGAA	
Cc1ccc(NC(=O)NCC(C)C)cc1C	397177	OZTFNLYZHAWZSM-UHFFFAOYSA-N	220.316	3.081	0	50	BGAA	
CC(C)C[C@H](C)NC(=O)Nc1ccccc1	409067	WXNHIMSDJUBEMY-NSHDSACASA-N	220.316	3.243	0	50	BGAA	
Clc1nc(Cl)c(Cl)c(Cl)n1	1667478	GVBHCMNXRKOJRH-UHFFFAOYSA-N	217.870	3.090	0	50	BGAA	
OC1c2ccccc2C=Cc2ccccc21	1736666	SRIISEYIFDTFRZ-UHFFFAOYSA-N	208.260	3.252	0	50	BGAA	
CCCCn1cnc2cc(C)c(C)cc21	2668927	LHFOMDUUSOWVPJ-UHFFFAOYSA-N	202.301	3.453	0	50	BGAA	
COc1ccc(NC(=O)Oc2ccccc2)cc1	3038960	GBVCBHSFYDKGFP-UHFFFAOYSA-N	243.262	3.306	0	50	BGAA	
Cc1cccc(CC(=O)Nc2ccccc2F)c1	6698737	NCTKLRQDSXZRGO-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
C[C@@H](CN)Cc1cc(Cl)ccc1Cl	30834299	OAWOIVQKHPITOL-SSDOTTSWSA-N	218.127	3.131	0	50	BGAA	
Cc1cc(Br)cc2c(C=O)c[nH]c12	44700175	PWVROEJTQXCJAF-UHFFFAOYSA-N	238.084	3.051	0	50	BGAA	
CCCC/C=C/I	57990010	TUAPXMNNQGXDDV-AATRIKPKSA-N	210.058	3.125	0	50	BGAA	
Clc1ccc2nc(Br)sc2n1	95093286	HUDIKDNPUIYAKF-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
Cc1cccc(/C=C/C(=O)N2CC[C@H](C)[C@@H]2C)c1	178158500	ZBBCQYVJFXIIDW-SWICKSTGSA-N	243.350	3.265	0	50	BGAA	
Cc1ccc(OC(=O)Nc2cc(F)ccn2)cc1	263624851	URWDHYNCHYGHAC-UHFFFAOYSA-N	246.241	3.140	0	50	BGAA	
Cc1ccoc1C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2	264845990	HTOPWCHJADXRHQ-MROQNXINSA-N	247.338	3.143	0	50	BGAA	
Oc1cccc(-c2n[nH]c(C3CCCCC3)n2)c1	426563576	ZDEKCMNOWQPCGC-UHFFFAOYSA-N	243.310	3.225	0	50	BGAA	
C[C@H]1CCN1C(=O)CC12CC3CC(CC(C3)C1)C2	620212018	JQXPRPPLPQSEKS-IKMFHRHGSA-N	247.382	3.214	0	50	BGAA	
O=C(O)[C@H]1CC=C(c2ccccc2F)CC1	1775970655	JABWHFBGZMKXCX-JTQLQIEISA-N	220.243	3.094	0	50	BGAA	
O=C(O)c1csc(-c2ccc(Cl)cc2)n1	35811	OOINMGFADWPJPC-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	in-vitro
CCCNC(=O)Nc1cccc(Cl)c1C	1640220	SUVSUKTZZRTPCB-UHFFFAOYSA-N	226.707	3.180	0	50	BGAA	
Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1	6702242	HLBPVLWGRMFCML-UHFFFAOYSA-N	243.697	3.466	0	50	BGAA	
O=C(NC1CCCC1)c1ccc(Cl)cc1F	7951154	NKKQVYYXEFKMRU-UHFFFAOYSA-N	241.693	3.152	0	50	BGAA	
Cc1ccccc1-c1nc(C)c(C(=O)O)s1	36532717	OFTVPKQWPZKNMB-UHFFFAOYSA-N	233.292	3.125	0	50	BGAA	
COc1ccc2cc(Br)ccc2n1	39151013	KBTKKEMYFUMFSJ-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
COC(=O)[C@@H](Cc1ccccc1)c1ccccc1	39310626	OUJYRAJMMUMWSQ-HNNXBMFYSA-N	240.302	3.186	0	50	BGAA	
Cc1ccc(-c2nccs2)c(-n2cccn2)c1	67771718	LWIXWPPRZZGAPQ-UHFFFAOYSA-N	241.319	3.304	0	50	BGAA	
COc1c(C)cc(-c2ccc(C)nn2)cc1C	67834012	GWBKKDZOMQTTDX-UHFFFAOYSA-N	228.295	3.077	0	50	BGAA	
Cc1ccn2nc(C)c(-c3ccccc3)c2n1	98042885	GPQGKQRRJHXWCQ-UHFFFAOYSA-N	223.279	3.013	0	50	BGAA	
C=CC(=O)N[C@H](C1CCCCC1)C1CCC1	1335286663	CGIXDYWGJWCDLM-CQSZACIVSA-N	221.344	3.038	0	50	BGAA	
Cc1cnc(N(C)C2CCC(C(C)C)CC2)nc1	1875328316	LAUIFZIMNXHZHE-UHFFFAOYSA-N	247.386	3.436	0	50	BGAA	
CCc1ccc(NC(=O)c2c(C)noc2C)cc1	251965	ALTAZZLQTWKSJP-UHFFFAOYSA-N	244.294	3.106	0	50	BGAA	
C[C@H](CNC(=O)c1ccccc1)c1ccccc1	406300	BDJRLRLQKNSDGO-CYBMUJFWSA-N	239.318	3.220	0	50	BGAA	
CC(C)(N)CC12CC3CC(CC(C3)C1)C2	4217454	OWKXRDQRMTVCEX-UHFFFAOYSA-N	207.361	3.330	0	50	BGAA	in-man
Cc1cc(=O)c2cc(Cl)cc(Cl)c2[nH]1	11731148	VNMHNSLATBRUIG-UHFFFAOYSA-N	228.078	3.143	0	50	BGAA	in-vitro
CCc1c(C)sc(-n2cccc2)c1C(=O)O	12404806	VANSVYGSBQYVQL-UHFFFAOYSA-N	235.308	3.108	0	50	BGAA	
Cc1cc(C(=O)O)ccc1-c1cccc(Cl)n1	16696618	BOFJHJBPFKPTFD-UHFFFAOYSA-N	247.681	3.409	0	50	BGAA	in-vitro
CC(=O)c1ccc(Cl)c(Br)c1	22007376	WLNOSWNYESTEKE-UHFFFAOYSA-N	233.492	3.305	0	50	BGAA	in-vitro
NCCc1ccccc1/C=C/c1ccccc1	34496776	YOEYIFAVNPRCLC-ZHACJKMWSA-N	223.319	3.358	0	50	BGAA	
CCCc1ccc(C(=O)CCCC(=O)OC)cc1	49836302	UOLYPIBDKOIWIJ-UHFFFAOYSA-N	248.322	3.165	0	50	BGAA	
COc1cccc(-c2ncccc2F)c1F	65403776	XBJXTSMCWRZTNR-UHFFFAOYSA-N	221.206	3.035	0	50	BGAA	
CC(C)CO[C@H]1C[C@@H](OC(=O)C(C)C)C1(C)C	170634858	HYBCORWFNOXZJH-NWDGAFQWSA-N	242.359	3.025	0	50	BGAA	
CCC1(C)CCN(C(=O)[C@@]23CCC[C@@H]2C3)CC1	335189954	AXWGNUOOTQUOMH-IUODEOHRSA-N	235.371	3.215	0	50	BGAA	
C[C@H]1CC(C)(C)N2COC(=O)c3cc(F)cc1c32	618256659	LBHCBNKHHOANNE-QMMMGPOBSA-N	249.285	3.046	0	50	BGAA	
Cc1cc2ccc(F)c(Br)c2cn1	950757316	SQJNDJZGCKTEPX-UHFFFAOYSA-N	240.075	3.445	0	50	BGAA	
Cc1cccc(C)c1NC(=O)c1ccccc1N	381809	RTNCJZHSKGUZKP-UHFFFAOYSA-N	240.306	3.138	0	50	BGAA	in-vitro
COc1ccc(C(=O)N[C@@H]2CCC[C@H](C)C2)cc1	407188	SBIKDPPNTNUXHT-WCQYABFASA-N	247.338	3.004	0	50	BGAA	
CNCc1cccc(Oc2ccccc2)c1	2576559	GDVLOOQWWBPGSV-UHFFFAOYSA-N	213.280	3.198	0	50	BGAA	in-vitro
O=Cc1csc(-c2ccc(Cl)cc2)n1	2651894	QVEJNZQGJYCMKA-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	biogenic,in-vitro
CCc1ccccc1NC(=O)c1ccccc1N	7468585	BKOXJFYOTZYOLL-UHFFFAOYSA-N	240.306	3.084	0	50	BGAA	
O=[S@@](C1=CCCCC1)c1ccccc1	38283734	LPPISIUWYPHOQS-AWEZNQCLSA-N	206.310	3.252	0	50	BGAA	
CC(=O)c1ccc(-c2cccc(C)c2)nc1	40448166	AZHKYGBDDJIACU-UHFFFAOYSA-N	211.264	3.260	0	50	BGAA	
CCOC(=O)c1ccc(C)c(C(F)(F)F)c1	47202941	MQNBCCNMNJHRBP-UHFFFAOYSA-N	232.201	3.191	0	50	BGAA	
CC(C)NCc1cccc(Br)c1F	85476948	SDJXPLGJENBBML-UHFFFAOYSA-N	246.123	3.086	0	50	BGAA	
c1cncc([C@H]2Nc3ccccc3-n3cccc32)c1	138103	BSOBGTYXYGHUTD-MRXNPFEDSA-N	247.301	3.387	0	50	BGAA	in-vitro
CCSc1ccc2ccccc2[n+]1CC	294858	PLOBQIIHIKNEFP-UHFFFAOYSA-N	218.345	3.259	0	50	BGAA	
Nc1nc(-c2sccc2Cl)cs1	1403082	VAVIUANRMVONSA-UHFFFAOYSA-N	216.718	3.107	0	50	BGAA	
CCCCC[C@H](C)NC(=O)c1ccccc1	3115889	WRVRHPTWOJUQQH-LBPRGKRZSA-N	219.328	3.385	0	50	BGAA	
CO[C@H]1CCCc2[nH]c3ccccc3c21	4825658	MJANJZSMRIMGNZ-LBPRGKRZSA-N	201.269	3.192	0	50	BGAA	
CC1=C[C@H](C)[C@H](CNCC(C)C)[C@H](C)C1	4844212	LYDDCMLXSZPXMZ-MJBXVCDLSA-N	209.377	3.470	0	50	BGAA	
Cc1cccc(CNC(=O)Nc2ccccc2)c1	6207084	JRGZVIBWRFJGQR-UHFFFAOYSA-N	240.306	3.317	0	50	BGAA	
CCOc1cc(N(C(C)C)C(C)C)ccn1	21982052	HMKRKUOZCHSCIX-UHFFFAOYSA-N	222.332	3.104	0	50	BGAA	in-vitro
C[C@@H](Oc1ccccc1)[C@@H](O)c1ccccc1	34557587	OQOWAWAHPZPZOH-IUODEOHRSA-N	228.291	3.188	0	50	BGAA	
O=C1CCC[C@@]12CCCN(Cc1ccccc1)C2	34577104	RDDQPGLSXUKHJS-INIZCTEOSA-N	243.350	3.022	0	50	BGAA	
N[C@@H](c1ccc2ccccc2n1)C1CCCC1	38526343	LUXUJWKUOGNQTI-OAHLLOKOSA-N	226.323	3.425	0	50	BGAA	
C[C@H]1CC=C[C@@H](C)N1Cc1ccccc1	44126060	MIYBQYJPXKKNPL-OLZOCXBDSA-N	201.313	3.226	0	50	BGAA	
Cc1ccc(-c2cnccn2)cc1Cl	95495634	NNKNNDVWPKZWPC-UHFFFAOYSA-N	204.660	3.105	0	50	BGAA	in-vitro
O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccccc1	100974980	FMMGLEFCJGVHDC-AVGNSLFASA-N	242.322	3.020	0	50	BGAA	
CC(C)N(CC[C@@H](CN)c1ccccc1)C(C)C	169725207	KWEGZAQREDEIQL-INIZCTEOSA-N	248.414	3.238	0	50	BGAA	
Cc1nc(C)c(-c2cc(F)cc3cccnc23)[nH]1	426567113	PNWNULJNWLJVML-UHFFFAOYSA-N	241.269	3.381	0	50	BGAA	
CCC(C)(C)N[C@@H]1CCCc2[nH]ccc21	725272967	WJTZMVLLRMJOBW-GFCCVEGCSA-N	206.333	3.170	0	50	BGAA	
OCc1ccc(-c2cccc(Cl)c2)o1	122876	PFIJYKYXECJDLO-UHFFFAOYSA-N	208.644	3.092	0	50	BGAA	
O=C(NCCC1=CCCCC1)c1ccccc1	142034	STZFSVDIZBFOTM-UHFFFAOYSA-N	229.323	3.307	0	50	BGAA	
CC(C)(Oc1ccc2ccccc2c1)C(=O)O	164660	RVAWSQIHNATWNO-UHFFFAOYSA-N	230.263	3.082	0	50	BGAA	in-vitro
Cc1ccc(C)c(NC(=O)C(C)(C)C)c1	256157	NKYBYQIOVVDXQM-UHFFFAOYSA-N	205.301	3.288	0	50	BGAA	
Cc1cccc(C(=O)Nc2ccccc2)c1	296172	DUSYVXRZSXLXRH-UHFFFAOYSA-N	211.264	3.247	0	50	BGAA	in-vitro
COc1ccc(C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1	407189	SBIKDPPNTNUXHT-DGCLKSJQSA-N	247.338	3.004	0	50	BGAA	
Cc1ccc(C)c(Nc2ncccc2C(=O)O)c1	930772	JXROYZLSJSHPQI-UHFFFAOYSA-N	242.278	3.140	0	50	BGAA	
CC1(C)CC(=O)c2cnc3ccccc3c2C1	1399573	DCXQYPSEDFAFDQ-UHFFFAOYSA-N	225.291	3.390	0	50	BGAA	
Clc1ccc([C@H]2CCCN2)c(Cl)c1	3732349	WCTZJESQSBXRJL-SNVBAGLBSA-N	216.111	3.418	0	50	BGAA	in-vitro
C[C@H](O)C1c2ccccc2Cc2ccccc21	25695393	GIYVOWQRYRDTOS-NSHDSACASA-N	224.303	3.104	0	50	BGAA	
Cc1cc2[nH]nc(Cl)c2cc1Cl	45028235	JRJSJZSBKUCGJJ-UHFFFAOYSA-N	201.056	3.178	0	50	BGAA	in-vitro
O=C1Cc2cc(/C=C/c3ccccc3)ccc2N1	67740919	BIZQAGRMANTINP-VOTSOKGWSA-N	235.286	3.352	0	50	BGAA	
CNc1cc(-c2ccc(OC)c(N)c2)cs1	72437016	OUMJPHMMOFWEPT-UHFFFAOYSA-N	234.324	3.048	0	50	BGAA	
Cc1cc(Cl)c(O)cc1OCc1cccnc1	261493998	NVACBPWEIMODLV-UHFFFAOYSA-N	249.697	3.328	0	50	BGAA	
CC[C@H](C)c1nc(-c2n[nH]c3ccccc23)no1	329565467	KKCZJRWRLGMSEN-QMMMGPOBSA-N	242.282	3.126	0	50	BGAA	
COc1ccc(-c2n[nH]c(C3CCC3)n2)c(C)c1	426498812	ZXGWIUTYFSDGDQ-UHFFFAOYSA-N	243.310	3.056	0	50	BGAA	
FC(F)c1cc(Cl)nc(C2CCC2)n1	642883141	FCHIMSOERQBJFY-UHFFFAOYSA-N	218.634	3.335	0	50	BGAA	
CCc1nc(-c2ccccc2F)nn1C(C)C	823550467	DKHJVXWTRASLBW-UHFFFAOYSA-N	233.290	3.228	0	50	BGAA	
Nc1ccc(-c2cc3ccccc3oc2=O)cc1	60590	LYIBWAQRUZXFGC-UHFFFAOYSA-N	237.258	3.042	0	50	BGAA	biogenic
Cc1cccc(Nc2nc(C)cc(C)n2)c1	150101	MAUJZVRNUYWNPN-UHFFFAOYSA-N	213.284	3.145	0	50	BGAA	
O=C(/C=C/c1ccc(F)cc1)N1CCCCCC1	432913	YMMOTEFNABWLOR-JXMROGBWSA-N	247.313	3.242	0	50	BGAA	
c1cc(-c2noc(C3CCCCC3)n2)ccn1	445989	XXTHMVRJMJIERU-UHFFFAOYSA-N	229.283	3.179	0	50	BGAA	
Cc1ccc(CC(=O)Nc2ccc(C)cc2)cc1	463280	PZESOUWLQABOFK-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	biogenic
CCN(C(=O)c1ccc(F)cc1)c1ccccc1	1227601	MTBMOTFPQOJHDG-UHFFFAOYSA-N	243.281	3.492	0	50	BGAA	
Cc1ccc(C[C@@H](N)c2ccccc2)cc1	1668276	ZICDZTXDTPZBKH-OAHLLOKOSA-N	211.308	3.238	0	50	BGAA	in-vitro
FC(F)C(F)(F)c1cc(-c2ccccc2)[nH]n1	3995839	NOPKFXHQVXSWBL-UHFFFAOYSA-N	244.191	3.434	0	50	BGAA	
CCCCO[P@]1(=O)COc2ccccc2O1	6635625	SPJHCIRTIZORLB-MRXNPFEDSA-N	242.211	3.425	0	50	BGAA	
Cc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C)cc1	6729072	PFIVSZRTTPTWFN-UKRRQHHQSA-N	245.366	3.232	0	50	BGAA	
CC(C)(C)OC(=O)c1cc(F)ccc1Cl	65336907	JFEFMXISBNOWHV-UHFFFAOYSA-N	230.666	3.434	0	50	BGAA	in-vitro
O=Cc1cc(Br)cc(Cl)c1F	65337171	PLYXMAYYYOIEJW-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
c1ccc2c(c1)[C@H]1CC[C@H]2N1Cc1ccncc1	136226254	PKVSVZSNFFMLHT-HZPDHXFCSA-N	236.318	3.473	0	50	BGAA	
FC1(F)CC(c2ccc(Br)cn2)C1	1857784188	NEECFJPLWLOQMM-UHFFFAOYSA-N	248.070	3.357	0	50	BGAA	
Cc1cc(-c2ccc(N)c(C)c2)ccc1N	56751	NUIURNJTPRWVAP-UHFFFAOYSA-N	212.296	3.135	0	50	BGAA	biogenic,in-man
CCNC(=O)Nc1cccc(Cl)c1Cl	396343	GPLUIVRMOCXTKV-UHFFFAOYSA-N	233.098	3.135	0	50	BGAA	
CC(=O)c1ccc([S@](=O)c2ccccc2)cc1	1401590	CROHGGUWSDCQOC-KRWDZBQOSA-N	244.315	3.056	0	50	BGAA	
Cc1ccccc1-c1cc(N)n(-c2ccccc2)n1	2532544	DGEZETVPZYHXIQ-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
CC[C@H]1CSC(Nc2ccc(C(C)=O)cc2)=N1	3268197	DBWLILIGTOMLPV-NSHDSACASA-N	248.351	3.183	0	50	BGAA	
O=C(NCc1ccccc1F)Nc1ccccc1	6699175	UHVDQNGPVPUFRR-UHFFFAOYSA-N	244.269	3.147	0	50	BGAA	
O=Cc1sc2ccccc2c1Br	12955566	GQUZXULTSUGIRF-UHFFFAOYSA-N	241.109	3.476	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)NC/C=C/c1ccccc1	34521768	PMEHNJIKBMQEPP-JXMROGBWSA-N	233.311	3.225	0	50	BGAA	
O=C1CCCc2c1cccc2C(F)(F)F	90659046	OHPGWVKTCNNPMH-UHFFFAOYSA-N	214.186	3.224	0	50	BGAA	
O=C(c1sccc1C1CC1)N1C[C@H]2CC[C@H]1C2	136166630	YHOLCIIYBCCROG-ONGXEEELSA-N	247.363	3.250	0	50	BGAA	
Fc1cc(Br)c2cccnc2c1	167550629	KIRTXFHNXXGJLP-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	
O=C1CCc2ccc(Br)c(Cl)c21	238558287	JCLQTPFCUKJMMS-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	
CCOC(=O)[C@@H](C)[C@H](C)c1ccc(F)cc1	259479405	ADESQKOOUKEVNB-UWVGGRQHSA-N	224.275	3.128	0	50	BGAA	
CO[C@@H](C)c1cccc(-c2ccncc2N)c1	426504457	HEIGWVPPRYIAKN-JTQLQIEISA-N	228.295	3.038	0	50	BGAA	
Nc1cc(-c2ccccc2)nn1Cc1ccccc1	51456	XMEAHPOVYFOANY-UHFFFAOYSA-N	249.317	3.181	0	50	BGAA	
Cc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1	142908	QYZVNRJWKFCVMG-CYBMUJFWSA-N	239.318	3.486	0	50	BGAA	
CC(C)(C)S(=O)(=O)c1cccc2ccccc12	186495	QMLPCTCOCPUHDA-UHFFFAOYSA-N	248.347	3.412	0	50	BGAA	
C[C@]1(C(=O)O)[C@@H]2Cc3cccc4cccc(c34)[C@@H]21	1319093	SBNNFLCOHKDHPS-INWMFGNUSA-N	238.286	3.200	0	50	BGAA	
CC[C@@H](C(=O)O)c1ccc(Br)cc1	2021142	XVEFRABIRRNWFO-SECBINFHSA-N	243.100	3.027	0	50	BGAA	
CC[C@@H](Oc1ccc(C(C)C)cc1)C(=O)O	2557811	QRUIYXUMYBGOGG-GFCCVEGCSA-N	222.284	3.052	0	50	BGAA	
COc1cccc([C@H](C)NC(=O)C2CCCC2)c1	6742321	DQOATNUCXVMNEJ-NSHDSACASA-N	247.338	3.063	0	50	BGAA	
O=C(NCc1ccccc1Cl)C1CCCC1	45827533	MOBMRDSPXAAFBK-UHFFFAOYSA-N	237.730	3.146	0	50	BGAA	
COC(=O)c1cc(OC)cc(-c2ccccc2)c1	97756947	CSLNVBDENFRIBI-UHFFFAOYSA-N	242.274	3.149	0	50	BGAA	
COc1ccccc1[C@H]1CCN(C2CCCC2)C1	120148665	YFALJFIVXVCSRL-ZDUSSCGKSA-N	245.366	3.427	0	50	BGAA	
COc1ccc(-c2ccsc2C=O)cc1C=O	725242640	PPOPGKNMSAQUCN-UHFFFAOYSA-N	246.287	3.049	0	50	BGAA	
Cc1sc(-c2cc[nH]n2)cc1Br	725273394	YPSIFYFRVMTNGE-UHFFFAOYSA-N	243.129	3.209	0	50	BGAA	
CCC[C@@H](C)c1nc(C)nn1-c1cccc(C)n1	822795169	CJJGXKRNZHXQEJ-SNVBAGLBSA-N	244.342	3.183	0	50	BGAA	
O=C(O)c1ccc(CSc2ccccn2)cc1	52099	WVJPZRUUOGYPAV-UHFFFAOYSA-N	245.303	3.072	0	50	BGAA	
CCC(=O)NCc1ccc(Cl)cc1Cl	78091	IYYPODGBDDYLIP-UHFFFAOYSA-N	232.110	3.020	0	50	BGAA	
O=C(c1cccs1)N1CCCc2ccccc21	198794	IVOXWMYBGUNLJR-UHFFFAOYSA-N	243.331	3.341	0	50	BGAA	
CCCN(Cc1cccc(O)c1)CC1CC1	756979	BBHFFLFJCYXAEP-UHFFFAOYSA-N	219.328	3.014	0	50	BGAA	
CC(=O)Nc1ccccc1-c1ccc(C)o1	911789	REEIYYVUURDSNG-UHFFFAOYSA-N	215.252	3.213	0	50	BGAA	
CC(=O)C(c1ccccc1)c1ccccc1	1504378	DBNWBEGCONIRGQ-UHFFFAOYSA-N	210.276	3.408	0	50	BGAA	
Cc1cc(Cl)nc(Nc2ccccc2)n1	1694368	MPHBIDCNHVMYDD-UHFFFAOYSA-N	219.675	3.182	0	50	BGAA	
O=[N+]([O-])/C=C\c1ccc(Cl)c(Cl)c1	4783513	XHGCFWXSHIHYFH-ARJAWSKDSA-N	218.039	3.241	0	50	BGAA	
O[C@@H]1CCC2c3ccccc3C1c1ccccc12	4800590	RMZDTWOUYAWPSM-BLDCVEFLSA-N	236.314	3.419	0	50	BGAA	
CC(=O)Nc1ccccc1Cc1ccccc1	7344786	HNFCNZOTOZTWED-UHFFFAOYSA-N	225.291	3.236	0	50	BGAA	
Cc1cc(NC(=O)Nc2ccc(C)c(F)c2)no1	13320331	OICYXJKWEQTAGR-UHFFFAOYSA-N	249.245	3.075	0	50	BGAA	
C[C@H]1CCC[C@@H](C)N1C(=O)Nc1ccccc1	13590308	AIGYUJJIEHGDPO-TXEJJXNPSA-N	232.327	3.481	0	50	BGAA	
Oc1ccc2cccc(Br)c2c1	32253947	PJRXIIFRDDJZSP-UHFFFAOYSA-N	223.069	3.308	0	50	BGAA	in-vitro
CCOC(=O)c1sc2ncccc2c1Cl	39296325	JCVFKGMSIUJSRU-UHFFFAOYSA-N	241.699	3.126	0	50	BGAA	
CCOc1cccc(NC(=O)C2CCCC2)c1	55767736	JXFYWBDZHZGBFQ-UHFFFAOYSA-N	233.311	3.214	0	50	BGAA	
NCc1ccc(Oc2ccccc2)cc1F	113984444	YNEQXTYAPGVRPJ-UHFFFAOYSA-N	217.243	3.077	0	50	BGAA	
Cc1cc(-c2ccc3sc(C)nc3c2)ncn1	1243933304	CAIWVUHCSATOCT-UHFFFAOYSA-N	241.319	3.370	0	50	BGAA	
O=C(O)c1c(Cl)cc(Cl)cc1Cl	56743	RAFFVQBMVYYTQS-UHFFFAOYSA-N	225.458	3.345	0	50	BGAA	in-vitro
CC1(C)CC(C)(C)OC(c2ccccc2)=N1	186594	UDNMGVJMFBZVFZ-UHFFFAOYSA-N	217.312	3.411	0	50	BGAA	
Cn1c(CNc2ccccc2)nc2ccccc21	238319	VMAWGHMRIQOEOC-UHFFFAOYSA-N	237.306	3.185	0	50	BGAA	
Cc1cc(C)nc(NC(=O)c2cccs2)c1	240606	ZRHYZICNBWRWHF-UHFFFAOYSA-N	232.308	3.012	0	50	BGAA	
CCc1cccc(NC(=O)NC(C)(C)C)c1	401678	OOPWRLPACCUUGT-UHFFFAOYSA-N	220.316	3.169	0	50	BGAA	
c1ccc(Cn2ccnc2-c2ccco2)cc1	619836	XDSFJXOLVUTTJG-UHFFFAOYSA-N	224.263	3.191	0	50	BGAA	
Cc1cccc2c([C@@H]3CCCN3C)c[nH]c12	2016834	PALMSMPURBFZAO-ZDUSSCGKSA-N	214.312	3.243	0	50	BGAA	
N[C@H](CCCCCC(=O)O)C1CCCCCC1	3684004	HVOJHPMRILDUQR-CYBMUJFWSA-N	241.375	3.319	0	50	BGAA	
O[C@H](c1ccc(F)cc1)c1ccc(F)c(F)c1	4290155	CKPBXOPTSLPUIP-CYBMUJFWSA-N	238.208	3.186	0	50	BGAA	
CC[C@@H](C)NCc1cccc(Br)c1	5907292	PIKQKBKACWXYHW-SECBINFHSA-N	242.160	3.337	0	50	BGAA	
CCC(CC)C(=O)Nc1cccc(C(=O)O)c1C	6702174	WALFTDUXXOUBEU-UHFFFAOYSA-N	249.310	3.068	0	50	BGAA	
CNCc1sc2ccccc2c1Cl	8731844	QCYSKGORFDRMGB-UHFFFAOYSA-N	211.717	3.274	0	50	BGAA	in-vitro
CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)cc1C	13746242	QZBGLPBRODKJIJ-CHWSQXEVSA-N	248.370	3.462	0	50	BGAA	
COc1cc(-c2ccc(C(=O)O)cc2)ccc1F	59862584	OSKMZVNVGYHUHG-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CCC[C@@H](C)n1ncc2[nH]c(CC(C)C)nc21	63833563	JZLUVUGTMGFMBH-SNVBAGLBSA-N	234.347	3.319	0	50	BGAA	
Oc1ccc2c(c1)C[C@@H]1CCCC[C@H]1C2	238706437	QSXZTSVXLUCUEB-QWRGUYRKSA-N	202.297	3.297	0	50	BGAA	
C[C@@H]1CCN(c2ncc(C(F)(F)F)s2)C1	276959590	WJWXKPCDDHLMKI-ZCFIWIBFSA-N	236.262	3.008	0	50	BGAA	
O=C(CCc1ccccc1)N1[C@H]2CCC[C@H]1CC2	336165067	FWJFBQBGEDITPO-GJZGRUSLSA-N	243.350	3.163	0	50	BGAA	
O=C(NC1(c2ccccc2)CC1)c1ccccc1	140614	VPHKQMTVHJDHSU-UHFFFAOYSA-N	237.302	3.106	0	50	BGAA	
Cc1cc(S[C@@H](C)C(=O)O)nc2ccccc12	193720	PZYFRXRGRLCMPV-VIFPVBQESA-N	247.319	3.108	0	50	BGAA	
Cc1ccc(C(=O)N2CCC[C@@H](C)C2)cc1C	288391	XJKODPYGGBFYCV-LLVKDONJSA-N	231.339	3.176	0	50	BGAA	
O=S(=O)(C1=CCCCC=C1)c1ccccc1	2548234	JBFCGKYPRPLNFA-UHFFFAOYSA-N	234.320	3.084	0	50	BGAA	
CCn1c([C@@H]2C[C@@H]2c2ccccc2)n[nH]c1=S	2804178	WZVZZHCETNJYMA-GHMZBOCLSA-N	245.351	3.232	0	50	BGAA	
CC[C@@H]1CSC(Nc2ccc(C(C)=O)cc2)=N1	3268199	DBWLILIGTOMLPV-LLVKDONJSA-N	248.351	3.183	0	50	BGAA	
Cc1cc(C)c(-n2ccc(C=O)c2)c(C)c1	4237804	ORNCBLAKBVEBRS-UHFFFAOYSA-N	213.280	3.215	0	50	BGAA	in-vitro
Cc1ccc([S@@](=O)c2ccccc2)cc1	5004823	NBNQTORHACKHCW-OAHLLOKOSA-N	216.305	3.162	0	50	BGAA	in-vitro
S=c1[nH]nc2scc(-c3ccccc3)n12	5731527	JBOIAPARIKXTEG-UHFFFAOYSA-N	233.321	3.120	0	50	BGAA	
Cc1cccc(-c2nc3ccc(N)cc3o2)c1	6703016	CIXYEVORGNXLAD-UHFFFAOYSA-N	224.263	3.385	0	50	BGAA	in-vitro
CCCCOc1cccc(NC(=O)CC)c1	8905537	JXKDYQOFYHJHSP-UHFFFAOYSA-N	221.300	3.214	0	50	BGAA	
CCCC(=O)Nc1ccccc1SC	13326788	ANZMLOONXZISMQ-UHFFFAOYSA-N	209.314	3.147	0	50	BGAA	
Cc1cncc2cccc(Br)c12	44832015	TYIXPGHNBIZJTL-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
CC(C)C[C@@H]1Nc2ccccc2C(=O)N1C1CC1	49538543	SOILUABJWFRAHL-CQSZACIVSA-N	244.338	3.089	0	50	BGAA	
C[C@H]1CCC[C@@H]1Nc1nccc(C(F)(F)F)n1	112828219	IESBHNSGZUNGLY-YUMQZZPRSA-N	245.248	3.096	0	50	BGAA	
CC(C)COC(OCC(C)C)OCC(C)C	116346183	IVXPLWROXBUJSE-UHFFFAOYSA-N	232.364	3.288	0	50	BGAA	
CC[C@H](N[C@@H](C)c1cccc(O)c1)[C@H]1CCCO1	194938172	JZEKZNXUMHZTMM-TUKIKUTGSA-N	249.354	3.000	0	50	BGAA	
Cc1ccc(F)cc1OCc1nc(C)c(C)o1	195576659	LPNQFKSTHUESKW-UHFFFAOYSA-N	235.258	3.318	0	50	BGAA	
CC1(C)CC[C@@H](N2CCC(c3ncc[nH]3)CC2)C1	344473876	DLWQRMVHSSLGSD-CYBMUJFWSA-N	247.386	3.168	0	50	BGAA	
C[C@@H]1C[C@@H](C)CN(C(=O)CCc2ccccc2)C1	30777	LGSCIHFEPJZDTD-ZIAGYGMSSA-N	245.366	3.124	0	50	BGAA	
CCN(CC)CCOc1ccccc1Cl	36679	OKSLIQGIWBMRPT-UHFFFAOYSA-N	227.735	3.061	0	50	BGAA	
Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1	142905	QYZVNRJWKFCVMG-ZDUSSCGKSA-N	239.318	3.486	0	50	BGAA	
O=c1ccc2cc3c4c(oc3cc2o1)CCCC4	389357	RGLZKIVYQIWECG-UHFFFAOYSA-N	240.258	3.418	0	50	BGAA	biogenic
CC(C)OP(OC(C)C)OC(C)C	391980	SJHCUXCOGGKFAI-UHFFFAOYSA-N	208.238	3.488	0	50	BGAA	
O=Cc1ccc(-c2ccc(C=O)s2)s1	2570723	RXAXZMANGDHIJX-UHFFFAOYSA-N	222.290	3.102	0	50	BGAA	in-vitro
CCC(=O)Nc1nc2c(C)ccc(C)c2s1	4331248	ROQRHVYPUUILCL-UHFFFAOYSA-N	234.324	3.262	0	50	BGAA	
COc1cccc(CNCc2cccs2)c1	6701663	APGQXNKORFRVLF-UHFFFAOYSA-N	233.336	3.047	0	50	BGAA	
CCCCc1nc2cccc(C(C)=O)c2o1	12336415	SJJLPAXTCWAKKY-UHFFFAOYSA-N	217.268	3.373	0	50	BGAA	
Cc1cc(N)n(-c2ccc(C(C)(C)C)cc2)n1	32919406	CQAGKEHZUJEVCK-UHFFFAOYSA-N	229.327	3.060	0	50	BGAA	
CCC[C@H](C)c1nccn1Cc1ccco1	67714749	XZLHOJJIPAKYKJ-NSHDSACASA-N	218.300	3.428	0	50	BGAA	
Fc1cccc2ccnc(Br)c12	71482537	DAPFAORJGTUTKH-UHFFFAOYSA-N	226.048	3.136	0	50	BGAA	in-vitro
Cc1cc([C@@H]2CCCCN2Cc2ccoc2)no1	97213355	VMNZORHUOSTDIS-AWEZNQCLSA-N	246.310	3.303	0	50	BGAA	
Cc1cnc(CNc2ccc3ccn(C)c3c2)o1	190604863	OGCHWKKRQAFTJU-UHFFFAOYSA-N	241.294	3.087	0	50	BGAA	
CC(=O)c1ccc(Cl)c(Cl)c1F	263624411	QEUCBGHARWLJHT-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	
CCCCCc1cc(C(=O)O)cc(Cl)n1	675068081	RXBHXISJFKTOKM-UHFFFAOYSA-N	227.691	3.166	0	50	BGAA	
O=C(O)[C@@H]1CC=C(c2cccc(F)c2)CC1	1775971690	YULNFGKHLXAKNS-SNVBAGLBSA-N	220.243	3.094	0	50	BGAA	
O=C1C[C@@H](c2ccccc2)Nc2ccccc21	968517	PUCZUBFZQVSURB-AWEZNQCLSA-N	223.275	3.426	0	50	BGAA	in-vitro
CC[C@@](C)(CCC(=O)O)c1ccccc1	4789860	NWIRJGSAJHAWMN-ZDUSSCGKSA-N	206.285	3.219	0	50	BGAA	
CCC[C@@H](C)NC(=O)c1ccc(C)c(C)c1	5793853	IMAVZCPZPWNTEE-GFCCVEGCSA-N	219.328	3.222	0	50	BGAA	
C/C=C/C(=O)Nc1c(C)cccc1Cl	6691740	WPGRECYMRKUPQL-HWKANZROSA-N	209.676	3.163	0	50	BGAA	
Fc1ccc2c(c1)nc(Cl)c1cccn12	22054592	NONXBGJFBUNSAD-UHFFFAOYSA-N	220.634	3.280	0	50	BGAA	in-vitro
COc1ccccc1CCN[C@@H]1CC[C@H](C)C1	23280446	GSJGRYUDEBEFSF-GXTWGEPZSA-N	233.355	3.016	0	50	BGAA	
COc1ccc(C)cc1-c1cccc(C(=O)O)c1	33427580	IQUVRKGPIQPCOJ-UHFFFAOYSA-N	242.274	3.369	0	50	BGAA	in-vitro
F[C@]1(c2ccccc2)CC1(Cl)Cl	96028564	PBTRXMKQOHZUKG-QMMMGPOBSA-N	205.059	3.429	0	50	BGAA	
Brc1ccc(OC2CCC2)cc1	96029188	UYSFQHGZDYGZPG-UHFFFAOYSA-N	227.101	3.380	0	50	BGAA	in-vitro
CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	132372553	QTNWWIGMZKANTK-MGPQQGTHSA-N	237.387	3.461	0	50	BGAA	
C[Si](C)(C)c1cc2ncc(Cl)cc2o1	169794239	WUQLUIMCZRXJGD-UHFFFAOYSA-N	225.751	3.026	0	50	BGAA	in-vitro
COc1ccc(Cl)cc1OC(C)C	238342740	HZSYIPPDUMNWKZ-UHFFFAOYSA-N	200.665	3.136	0	50	BGAA	
O=C1CCCCCC[C@]12O[C@@H]2c1ccccc1	336520	FSBZWAGBLYKZFO-CABCVRRESA-N	230.307	3.420	0	50	BGAA	
Cc1ccc(/C=C/C(=O)N2CCCCCC2)o1	442182	XSJWUXZZSKQSRS-CMDGGOBGSA-N	233.311	3.004	0	50	BGAA	
COc1ccc2oc(-c3ccco3)cc(=O)c2c1	1978188	AIEXCDYOJXPKDW-UHFFFAOYSA-N	242.230	3.062	0	50	BGAA	
Clc1cccc(OCCCN2CCCC2)c1	2494174	GUHJJQWNGDNIPD-UHFFFAOYSA-N	239.746	3.205	0	50	BGAA	
CC(=O)c1cccc(-c2ccc(C=O)cc2)c1	2574080	IMQNXEJDOTXIIK-UHFFFAOYSA-N	224.259	3.369	0	50	BGAA	
Cc1oc(C)c(-c2ccccc2)c1C(=O)O	3058439	XLJWWXHFTNCUBH-UHFFFAOYSA-N	216.236	3.262	0	50	BGAA	
FC(F)(F)O[C@@](F)(Cl)C(F)(F)Cl	4329298	PIHHZNWHYDIJIP-UWTATZPHSA-N	236.926	3.217	0	50	BGAA	in-vitro
CC(=O)N1CCC[C@@H](CCc2ccccc2C)C1	12750489	NHJOEXXVEIRVCV-HNNXBMFYSA-N	245.366	3.186	0	50	BGAA	
CCC(CC)N[C@H](C)c1cn2ccsc2n1	65531568	XHHBDLRZUGZTHQ-SECBINFHSA-N	237.372	3.235	0	50	BGAA	
FC(F)(F)c1ccc2cnc(Cl)nc2c1	83100078	HHECKCKJGRMXJP-UHFFFAOYSA-N	232.592	3.302	0	50	BGAA	in-vitro
FC1(F)CCN(c2ccc3[nH]ccc3c2)C1	169725924	PWWUKXCLMNAULF-UHFFFAOYSA-N	222.238	3.013	0	50	BGAA	
CCOc1ccc(CN2CC[C@H]2C)cc1Cl	823383209	CZFMYOZKSBXEFF-SNVBAGLBSA-N	239.746	3.333	0	50	BGAA	
CC(C)CN(Cc1ccco1)C(=O)[C@H]1CC1(C)C	952867266	LIMXUHVMUDSUQA-CYBMUJFWSA-N	249.354	3.310	0	50	BGAA	
Cc1nc2cc(Cl)c(Cl)cc2[nH]1	128936	WMOBNOCVMZFPEN-UHFFFAOYSA-N	201.056	3.178	0	50	BGAA	in-vitro
Brc1ccc(-n2cccc2)cc1	177191	IBRSPNWMMJNYMR-UHFFFAOYSA-N	222.085	3.240	0	50	BGAA	in-vitro
Cc1ccc(C(=O)Nc2ccccc2C)o1	376345	AARJNXNAGQFFJS-UHFFFAOYSA-N	215.252	3.149	0	50	BGAA	
CCOC(=O)Nc1ccc(Cl)cc1C	395199	ZACXBFNSOSMHHH-UHFFFAOYSA-N	213.664	3.217	0	50	BGAA	
O=C(Nc1ccccc1)c1ccc2ccccc2n1	447397	QZRJWCCFONJIMC-UHFFFAOYSA-N	248.285	3.487	0	50	BGAA	
c1ccc(CN2Cc3ccccc3C2)cc1	1279182	FGTWRFGVFTTZOI-UHFFFAOYSA-N	209.292	3.202	0	50	BGAA	
CCC[C@H](C)C(=O)N[C@H](C)c1ccccc1	2065094	KFFARRBSTQMRAZ-NWDGAFQWSA-N	219.328	3.300	0	50	BGAA	
FC(F)(F)c1cccc(C2CCNCC2)c1	2577359	IPKSNWXGEIHOMR-UHFFFAOYSA-N	229.245	3.172	0	50	BGAA	in-vitro
CC(C)(C)c1cc(Cl)nnc1Cl	5439790	DTUZXHRABOWYAE-UHFFFAOYSA-N	205.088	3.081	0	50	BGAA	in-vitro
CCNc1cccc(OC(F)(F)F)c1	19965180	UPIVKOMCDMMWNW-UHFFFAOYSA-N	205.179	3.017	0	50	BGAA	
CC(=O)c1cc(-c2ccccc2)ccc1O	22154619	UJPXBWSJJVPTTJ-UHFFFAOYSA-N	212.248	3.262	0	50	BGAA	in-vitro
COC(=O)[C@H](CC=C(C)C)c1ccccc1	45074578	NQJMHRSHNDHWRO-CYBMUJFWSA-N	218.296	3.300	0	50	BGAA	
CC(C)C(=O)N1CC(C)(C)[C@@H]1c1cccs1	288217370	DQFAHYASZLGCTO-NSHDSACASA-N	237.368	3.314	0	50	BGAA	
COc1ccc2c(c1N)[C@@H](C)CC2(C)C	669375147	SHYNFCGMRJMBMS-QMMMGPOBSA-N	205.301	3.062	0	50	BGAA	
C=CC(=O)Nc1ccc([C@@]2(C)CC2(F)F)cc1	1776005756	GRDSWBVGUVRCKB-GFCCVEGCSA-N	237.249	3.108	0	50	BGAA	
Cc1ccc(-c2nccn2C[C@H]2CCCCO2)o1	1940195745	JUWBTXSHBORFIQ-GFCCVEGCSA-N	246.310	3.021	0	50	BGAA	
Oc1ncccc1-c1csc(-c2ccoc2)n1	2325824067	NWGNOKCYEFNPPL-UHFFFAOYSA-N	244.275	3.171	0	50	BGAA	
Cc1cc(Br)c(O)c2ncccc12	2170	JMOVFFLYGIQXMM-UHFFFAOYSA-N	238.084	3.011	0	50	BGAA	in-man
CC(C)(C1CCC(O)CC1)C1CCC(O)CC1	56940	CDBAMNGURPMUTG-UHFFFAOYSA-N	240.387	3.115	0	50	BGAA	in-vitro
Cc1cc(C)n2nc(-c3cccc(F)c3)cc2n1	378269	LMZRSYXAUIEINA-UHFFFAOYSA-N	241.269	3.152	0	50	BGAA	
Cc1cccc(CC(=O)NC2CCC(C)CC2)c1	6741543	ROOMGGQBRSYIJB-UHFFFAOYSA-N	245.366	3.232	0	50	BGAA	
O=C(CCC1CC1)Nc1ccnn1C1CCCC1	20780319	DESASGVLZGFPJI-UHFFFAOYSA-N	247.342	3.127	0	50	BGAA	
Clc1cnc2cccc(Br)c2n1	85223715	NPMDJQJCBFQCNB-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	in-vitro
O=C(O)c1ccc2oc(C3CC3)cc2c1	114957549	YYPBWSSCLZPEQE-UHFFFAOYSA-N	202.209	3.008	0	50	BGAA	
C[C@H]1CC(C)(C)N(C)c2cc(O)ccc21	148286881	QWDMTYHFGOQDRJ-VIFPVBQESA-N	205.301	3.114	0	50	BGAA	
COc1cccc2c1CC[C@H]2N[C@@H](C)C1CCC1	170043133	SPGVJVWLDZCSHH-XHDPSFHLSA-N	245.366	3.461	0	50	BGAA	
CCCCC[S@](=O)c1cccs1	191197851	AYEAUGIRQZLBLF-LBPRGKRZSA-N	202.344	3.046	0	50	BGAA	
Cc1cc([C@@H](C)Nc2cnn(CC(C)C)c2)no1	281035058	PMVYWWUAWXEJQE-LLVKDONJSA-N	248.330	3.009	0	50	BGAA	
Oc1ccc(-c2nccn2[C@H]2C=CCC2)cc1	1875248553	XJSCBLNDOFDGIN-LBPRGKRZSA-N	226.279	3.147	0	50	BGAA	
C1=C[C@H](n2ccnc2C2CCOCC2)CCC1	1875249429	RWGPIMIJHYSAPX-ZDUSSCGKSA-N	232.327	3.058	0	50	BGAA	
O=C(c1ccccc1)c1ccc(F)cc1F	155242	FRHMSTHFVFIPCO-UHFFFAOYSA-N	218.202	3.196	0	50	BGAA	in-vitro
CCOc1ccc2[nH]c3sc(C)nc3c2c1	177249	IIZUSKLDBYLWSP-UHFFFAOYSA-N	232.308	3.485	0	50	BGAA	
C[C@@H]1CC(C)(C)O[C@@H](c2ccccc2)O1	281236	OHAGICGDFQGNHT-PWSUYJOCSA-N	206.285	3.289	0	50	BGAA	
CCNC(=O)Nc1c(Cl)cccc1Cl	397259	CAAWHUHHEUHZGW-UHFFFAOYSA-N	233.098	3.135	0	50	BGAA	
Cc1ccc(C(=O)Cc2ccccc2)cc1	2566123	RDBAEHHVVNBKBB-UHFFFAOYSA-N	210.276	3.420	0	50	BGAA	in-vitro
Clc1ncc(CN2CCCCCC2)s1	3884437	XNLFSVRNYLIVEH-UHFFFAOYSA-N	230.764	3.173	0	50	BGAA	in-vitro
Cc1cccc(-[n+]2c(C)cc(C)cc2C)c1	5796262	CSPJNVOTNJSEGG-UHFFFAOYSA-N	212.316	3.197	0	50	BGAA	
Cc1ccc(C(C)C)c(OC(C)(C)C(=O)O)c1	6008965	KUVBUGMRSPUHHK-UHFFFAOYSA-N	236.311	3.360	0	50	BGAA	
COC(=O)c1cc2cccc(Cl)c2s1	8730030	KIMYWTAFZCIPNB-UHFFFAOYSA-N	226.684	3.341	0	50	BGAA	in-vitro
C[C@H]1C[C@@H](C)CN(C(=O)CCc2ccccc2)C1	12417478	LGSCIHFEPJZDTD-OKILXGFUSA-N	245.366	3.124	0	50	BGAA	
COc1nccnc1-c1c(C)cc(C)cc1C	67713295	YUMHJTADFOCVIU-UHFFFAOYSA-N	228.295	3.077	0	50	BGAA	
OCc1cc(Br)c2ccccc2c1	117072133	VYSCKPUODPPSJS-UHFFFAOYSA-N	237.096	3.095	0	50	BGAA	
Cc1csc(-c2noc([C@H](C)C3CC3)n2)n1	329747620	ZMVFLPBGNAHAAT-SSDOTTSWSA-N	235.312	3.015	0	50	BGAA	
O=C(NCC1CCCCC1)C1CCCCC1	409016	UKABUWVWWVMDKY-UHFFFAOYSA-N	223.360	3.263	0	50	BGAA	
Cc1ccccc1-c1nc2ccccn2c1C=O	1527033	UQVNQBJBORUNJS-UHFFFAOYSA-N	236.274	3.122	0	50	BGAA	
c1cc(-c2ccc3cn[nH]c3c2)cs1	2526918	PJVRVMTZHZABIW-UHFFFAOYSA-N	200.266	3.291	0	50	BGAA	in-vitro
CCn1nc(C)c(NC(=O)C2CCCCC2)c1C	2759785	XSUFRGPTVIRHKK-UHFFFAOYSA-N	249.358	3.039	0	50	BGAA	
O=C(O)C1(c2ccc(Cl)c(Cl)c2)CC1	3164496	VNBCEUVYNYCYBW-UHFFFAOYSA-N	231.078	3.110	0	50	BGAA	
Fc1ccc(CN2CCCCCC2)cc1	4990150	WJCIGWVWAMPOLZ-UHFFFAOYSA-N	207.292	3.202	0	50	BGAA	
Cc1ccc(CC(=O)N[C@H]2CCCC[C@H]2C)cc1	6729074	PFIVSZRTTPTWFN-HIFRSBDPSA-N	245.366	3.232	0	50	BGAA	
C[C@H]1CCC[C@H](C)N1C(=O)NC1CCCCC1	6729964	VODAXQMWKPJJBR-RYUDHWBXSA-N	238.375	3.292	0	50	BGAA	
O=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1	8672860	HVTASVIOKKMCLW-UHFFFAOYSA-N	248.285	3.104	0	50	BGAA	
C[C@@H](C(=O)Nc1ccc2c(c1)CCCN2)C1CC1	148757034	DUDRVSVKJWLVLQ-SNVBAGLBSA-N	244.338	3.029	0	50	BGAA	
CC(=O)c1cc(CN(C)Cc2ccoc2)cs1	222777015	PRCBZCGEZDJECK-UHFFFAOYSA-N	249.335	3.176	0	50	BGAA	
Oc1cccc(-c2ccnc(C(F)F)c2)c1	725273626	QQQCFIAHDCSQLQ-UHFFFAOYSA-N	221.206	3.392	0	50	BGAA	
Cc1cccc(C2(NC(=O)[C@H]3CC3(C)C)CC2)c1	952979297	GPMKIQBTYNCPKO-CYBMUJFWSA-N	243.350	3.146	0	50	BGAA	
c1ccc2c(c1)nc1sc3c(n12)CCCC3	127747	KHAGCXRODQMMKF-UHFFFAOYSA-N	228.320	3.428	0	50	BGAA	
Cc1nc(-c2ccc(Cl)cc2)sc1CO	168448	QUSDORIJKAETMR-UHFFFAOYSA-N	239.727	3.264	0	50	BGAA	
Cc1ccc(NC(=O)CCc2ccc(C)o2)cc1	178785	LKICLMUKWZLZMY-UHFFFAOYSA-N	243.306	3.468	0	50	BGAA	
CCN(C(=O)c1cccs1)c1ccccc1	240655	UZTDLWWDTCZWGT-UHFFFAOYSA-N	231.320	3.415	0	50	BGAA	
C[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	387761	QURMOGAHPSNBBS-DOMZBBRYSA-N	237.302	3.411	0	50	BGAA	biogenic
CCCSc1cc(SCCC)nc(N)n1	1674949	LUFJNZHSLHXTCY-UHFFFAOYSA-N	243.401	3.063	0	50	BGAA	
CCCCCCC(=O)n1nnc2ccccc21	1851392	UBHPSGGEKOWQDR-UHFFFAOYSA-N	231.299	3.042	0	50	BGAA	
Cc1ccc(C(=S)N2CCCCC2)cc1	3849373	FPOUEQAENBYBRQ-UHFFFAOYSA-N	219.353	3.156	0	50	BGAA	biogenic
O=C1C[C@H](c2ccccc2)OC12CCCCC2	4006068	CGDQZKZYUOONFO-CYBMUJFWSA-N	230.307	3.420	0	50	BGAA	
CC(C)(C)c1ccc(C[C@H]2CCCN2)cc1	4237818	OUJRIDWDESNLOR-CQSZACIVSA-N	217.356	3.279	0	50	BGAA	in-vitro
Cc1cccc(Nc2ccccc2C(=O)O)c1	5420064	JODCQKTVDXZQEP-UHFFFAOYSA-N	227.263	3.437	0	50	BGAA	in-vitro
C[C@@](CO)(Cc1ccccc1)c1ccccc1	11733530	VMRYBMDXKVJQKJ-INIZCTEOSA-N	226.319	3.179	0	50	BGAA	
Fc1ccc2nc(COc3ccccc3)[nH]c2c1	15833444	FMXFUCQUEGZRFG-UHFFFAOYSA-N	242.253	3.281	0	50	BGAA	
CC(C)NC(=O)[C@@H](C)Oc1ccccc1C(C)C	20046347	DSYHMNWBHJEHAM-GFCCVEGCSA-N	249.354	3.102	0	50	BGAA	
CCc1nc(N(CC)CC)c2cc(C)sc2n1	41090639	XKDNHVPVTAUYAS-UHFFFAOYSA-N	249.383	3.408	0	50	BGAA	
CC(C)Oc1ccc(O)c(C(F)(F)F)c1	95710731	JUEDMDPOHOJEEU-UHFFFAOYSA-N	220.190	3.198	0	50	BGAA	
C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C)C(C)(C)C	170626144	DGVBKEUMYOAVFQ-WOPDTQHZSA-N	240.391	3.299	0	50	BGAA	
C1=C[C@@H]2[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]6[C@H]5[C@H]([C@@H]2[C@H]16)[C@H]43	257356791	KGSHKEGGGVMYNT-IRTZDFNZSA-N	212.336	3.347	0	50	BGAA	
CCCc1onc(-c2cccs2)c1C(=O)O	675057813	PUJRXSRGRQGWBI-UHFFFAOYSA-N	237.280	3.054	0	50	BGAA	
Cc1ccc(-c2nccn2C[C@@H]2CCCCO2)o1	1940195746	JUWBTXSHBORFIQ-LBPRGKRZSA-N	246.310	3.021	0	50	BGAA	
Cc1ccc(C(=O)NC2CCCCCC2)cc1	101540	GKZQEUZJLOPVSE-UHFFFAOYSA-N	231.339	3.448	0	50	BGAA	
CC(=O)c1cc(F)c(Cl)cc1Cl	136315	FAKJFAMIABOKBW-UHFFFAOYSA-N	207.031	3.335	0	50	BGAA	in-vitro
Cc1ccc2c(c1)c1c3n2CCCN[C@@H]3CCC1	240885	ISPIKCHXHLYETP-CQSZACIVSA-N	240.350	3.320	0	50	BGAA	
O=C(Nc1ccc(Cl)cc1)Nc1ccccn1	250100	KATKJPXWRKSTEY-UHFFFAOYSA-N	247.685	3.379	0	50	BGAA	
CCOc1ccc([C@@H](C)NC(=O)C2CCC2)cc1	306236	BWXLTBUDLFHTQR-LLVKDONJSA-N	247.338	3.063	0	50	BGAA	
CC/C=C/CCOC(=O)c1ccccc1	2014250	BCOXBEHFBZOJJZ-ONEGZZNKSA-N	204.269	3.200	0	50	BGAA	
CCCCNC(=O)Nc1c(C)cccc1CC	2172083	OXCXBRDVPXVXLU-UHFFFAOYSA-N	234.343	3.479	0	50	BGAA	
O=C(O)Cc1ccccc1-c1cc(F)cc(F)c1	2513033	UIXYPLIOPWTRSX-UHFFFAOYSA-N	248.228	3.259	0	50	BGAA	
c1cc(-c2ccc3[nH]ncc3c2)cs1	2526937	QXHLOLJGIKCFFR-UHFFFAOYSA-N	200.266	3.291	0	50	BGAA	in-vitro
Cc1ccccc1NC(=O)NCc1ccccc1	3038558	DUCNVZUQNXDTEG-UHFFFAOYSA-N	240.306	3.317	0	50	BGAA	
c1ccc2sc([C@@H]3CCCN3)cc2c1	3732432	XXJFJEFPNFNWGX-JTQLQIEISA-N	203.310	3.326	0	50	BGAA	in-vitro
c1ccc(-c2noc(CCC3CCCC3)n2)nc1	6697294	YYFLRSTVTWHBFL-UHFFFAOYSA-N	243.310	3.254	0	50	BGAA	
CC(C)COc1ccc(NC(=O)C2CC2)cc1	6697989	CXXBFTFIGZVFGU-UHFFFAOYSA-N	233.311	3.070	0	50	BGAA	
Fc1ccc(N[C@@H]2CCCN(C3CCC3)C2)cc1	12297155	BAYRCVNISRRATI-CQSZACIVSA-N	248.345	3.255	0	50	BGAA	
CCCSc1nnc2c(n1)[nH]c1ccccc12	15015538	CVDJXTTTXAPJJJ-UHFFFAOYSA-N	244.323	3.008	0	50	BGAA	
CSc1cc(Br)ccc1F	90413206	ZRLZHBBCORWTHN-UHFFFAOYSA-N	221.094	3.310	0	50	BGAA	in-vitro
Clc1ccsc1I	142433572	VZKNBCJDVLLTCL-UHFFFAOYSA-N	244.484	3.006	0	50	BGAA	
C1CC[C@@H](c2noc(C3CCC3)n2)SC1	225600964	PSLAZMQGUJDOTI-VIFPVBQESA-N	224.329	3.295	0	50	BGAA	
COc1cccc(-c2ccccc2Cl)n1	644614784	AVHKHRFTNNYKOB-UHFFFAOYSA-N	219.671	3.411	0	50	BGAA	
O=Cc1c(F)cccc1-c1ccc(C(=O)O)cc1	725273158	ZPDXAMPEKFJTSZ-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
c1ccc(-c2nnc(-c3ccccc3)o2)cc1	61841	DCJKUXYSYJBBRD-UHFFFAOYSA-N	222.247	3.404	0	50	BGAA	biogenic,in-vitro
COC(=O)c1sc2ccccc2c1Cl	66852	VAPMGETZRJYSLW-UHFFFAOYSA-N	226.684	3.341	0	50	BGAA	in-vitro
CC(C)CNC(=S)Nc1ccccc1Cl	455142	SRUONBAVLRPIMK-UHFFFAOYSA-N	242.775	3.282	0	50	BGAA	
CCCOc1ccc(/C=C/C(=O)NC(C)C)cc1	1778342	WGKPAQKJQLAWLA-JXMROGBWSA-N	247.338	3.013	0	50	BGAA	
CCCCCCNC(=O)Nc1ccccc1	2494308	MRZIEGTYOBOCLG-UHFFFAOYSA-N	220.316	3.388	0	50	BGAA	
FC(F)(F)c1nc(Cl)nc2c1CCCC2	4291262	POCQYMUTNWQJLH-UHFFFAOYSA-N	236.624	3.028	0	50	BGAA	
c1ccc(SCn2nc3ccccc3n2)cc1	5485699	CQOBWEXFWKFMRE-UHFFFAOYSA-N	241.319	3.181	0	50	BGAA	
CC(C)(c1ccccc1)n1nnc2ccccc21	6159470	SWKBRTAFOBLFEF-UHFFFAOYSA-N	237.306	3.215	0	50	BGAA	
Cc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C)cc1C	6742670	HORJSKTWRAEGGR-SGMGOOAPSA-N	231.339	3.137	0	50	BGAA	
O=C(O)c1ccc(Cc2ccc(F)cc2)cc1	33420503	UEFFUEDUQCZWMV-UHFFFAOYSA-N	230.238	3.115	0	50	BGAA	in-vitro
CC(C)Oc1cc(Br)ccc1C=O	37474891	KPWKJHWWEJTFPE-UHFFFAOYSA-N	243.100	3.049	0	50	BGAA	in-vitro
Cc1cc(I)cc(C)c1C	59287765	BFHXBVNGIPRSFF-UHFFFAOYSA-N	246.091	3.216	0	50	BGAA	
CC1(C)CCC[C@H]1NC1CCSCC1	86873106	XAKQZQKQTJXBFW-LLVKDONJSA-N	213.390	3.050	0	50	BGAA	
C[C@H](CCCC(C)(C)O)N[C@H]1C[C@H]2CC[C@H]1C2	103407308	UMCMZLWKTDRKEK-RFGFWPKPSA-N	239.403	3.094	0	50	BGAA	
CC(C)(C)NC(=O)N1CCC[C@H]1c1ccccc1	123142811	CUVQBBJSMUBRCV-ZDUSSCGKSA-N	246.354	3.332	0	50	BGAA	
NCC(F)(F)c1ccc(Cl)c(Cl)c1	131744356	HWLWNYWMVQPECP-UHFFFAOYSA-N	226.053	3.044	0	50	BGAA	
CCCOc1ccc(O)c(C(F)(F)F)c1	261493534	CZQRLWMUGXEEJV-UHFFFAOYSA-N	220.190	3.200	0	50	BGAA	
Cc1cscc1-c1cncc(C(C)(C)O)c1	426503218	DXDNUXSEFZIZSN-UHFFFAOYSA-N	233.336	3.346	0	50	BGAA	
Cc1cc(NC(=O)[C@]23CCCC[C@@H]2C3)cnc1C	893809871	VBXWOYQHKSHHPV-DOMZBBRYSA-N	244.338	3.217	0	50	BGAA	
NNc1ccc(OCc2ccc(Cl)cc2)cc1	2582499	LHKVIOMBKQFLTK-UHFFFAOYSA-N	248.713	3.205	0	50	BGAA	in-vitro
Cc1cc(C)c(C)c(OCCCCN(C)C)c1	2821927	WKOZCVNKRUESDH-UHFFFAOYSA-N	235.371	3.332	0	50	BGAA	
CCCCOc1ccc(C(=O)N2CCCC2)cc1	2881366	ZJWRHNCJQBVNGI-UHFFFAOYSA-N	247.338	3.102	0	50	BGAA	
CN1c2ccccc2CCc2cc(C=O)ccc21	4343253	SFMUVVDAWXLPFT-UHFFFAOYSA-N	237.302	3.366	0	50	BGAA	
Cc1cc(C)c(-c2cn3cccnc3n2)cc1C	6658371	ORUUWDVMWRSZKR-UHFFFAOYSA-N	237.306	3.322	0	50	BGAA	
O=C1Sc2ccccc2N[C@@H]1c1ccccc1	44125535	GIHQWRTXAXEOML-CYBMUJFWSA-N	241.315	3.472	0	50	BGAA	
CCCc1nccn1-c1cnc2ccccc2c1	65453935	FSOQHRIWTNXSEM-UHFFFAOYSA-N	237.306	3.373	0	50	BGAA	
CC(C)NC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2	100472525	NBAUGUUUPGGYJJ-YKQCJFHZSA-N	235.371	3.118	0	50	BGAA	
COc1ccc(OC)c2c1[C@H]1C=C[C@H]2CC1	101037370	RUXDJCUFSHQCFD-UWVGGRQHSA-N	216.280	3.235	0	50	BGAA	
Cc1n[nH]c2ccnc(NC3CCCCC3)c12	113786289	NTHVCYRZMWBAGI-UHFFFAOYSA-N	230.315	3.011	0	50	BGAA	
O=C(O)c1ccccc1-c1ccnc(C(F)F)c1	725273548	KJCSERHKQMMDLX-UHFFFAOYSA-N	249.216	3.384	0	50	BGAA	
C[C@H](NC(=O)CCC(F)(F)F)C1=CCCCC1	827989646	JPYSUVULVOWBMR-VIFPVBQESA-N	249.276	3.334	0	50	BGAA	
CC(=O)c1sccc1-c1cccnc1N(C)C	1875247261	HWNKSIVYZPTVNK-UHFFFAOYSA-N	246.335	3.079	0	50	BGAA	
O=C(O)c1cccc(Oc2cccc(Cl)n2)c1	4105041	VDODOKUCZAQJII-UHFFFAOYSA-N	249.653	3.226	0	50	BGAA	
NCCCCCCc1c[nH]c2ccccc12	4320822	GSOQFCIVGOXYMC-UHFFFAOYSA-N	216.328	3.230	0	50	BGAA	
CC[C@H](C)c1ccccc1NC(=O)N(C)C	4740535	PLWAIKIALLNNPE-JTQLQIEISA-N	220.316	3.294	0	50	BGAA	
CCN(CC)CCOc1cc(C)ccc1Cl	5024243	QYTBHSUBXNWLJP-UHFFFAOYSA-N	241.762	3.369	0	50	BGAA	
CCOC(=O)c1csc(Nc2ccccc2)n1	16687931	VTCUMDSDWMYUJZ-UHFFFAOYSA-N	248.307	3.063	0	50	BGAA	in-vitro
CC(=O)N[C@H](c1ccccc1)c1ccccc1C	32497842	MTXCBBSDWXDJKB-MRXNPFEDSA-N	239.318	3.221	0	50	BGAA	
Clc1ccc(OCc2ccccc2)nc1	34569525	SXOVMWQGOMWDHU-UHFFFAOYSA-N	219.671	3.314	0	50	BGAA	in-vitro
O=C(O)c1cc(-c2ccc(F)cc2)ccc1F	38068160	QFOLNTPEYOGOJM-UHFFFAOYSA-N	234.201	3.330	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)Nc1cccnc1Cl	40447839	VUHVCMJKJLGRJX-UHFFFAOYSA-N	228.679	3.082	0	50	BGAA	in-vitro
FCc1ccc(F)c(Br)c1	163310294	ALKBDFDTKMSATO-UHFFFAOYSA-N	207.017	3.058	0	50	BGAA	
CC(C)N(C(=O)OC(C)(C)C)C(C)C	197482919	HNURUDICJPOGGD-UHFFFAOYSA-N	201.310	3.040	0	50	BGAA	
Fc1ccc2nc(C3CC3)nc(Cl)c2c1	236156094	YEHIILZESIDNIX-UHFFFAOYSA-N	222.650	3.300	0	50	BGAA	
Fc1cc(OC(F)F)ccc1C(F)(F)F	263623820	KZSHBXCVDAGXHZ-UHFFFAOYSA-N	230.107	3.446	0	50	BGAA	
CN(C(=O)c1ccoc1C1CC1)c1ccsc1	585125110	GWVSZHXZXSPZMZ-UHFFFAOYSA-N	247.319	3.495	0	50	BGAA	
Cc1csc(CN2CC[C@H]3CCCC[C@H]32)n1	685939637	GTSSGLHDBIJLLM-VXGBXAGGSA-N	236.384	3.216	0	50	BGAA	
CC(C)O[C@H]1CC(=O)CCC12CCCC2	725360505	IKWVPXWZPNRSLR-LBPRGKRZSA-N	210.317	3.093	0	50	BGAA	
Cc1cc(NC(=O)c2ccccc2)cc(C)c1O	92415	DWMAWDKAPQWTAS-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
Cc1cccc(NC(=O)Nc2ccccc2F)n1	153492	NXMWRZDFSZSAEG-UHFFFAOYSA-N	245.257	3.173	0	50	BGAA	
C1=CC2=CC(Nc3ccccc3)=CCN2C=C1	4086565	LUTCWYJXNQCJNT-UHFFFAOYSA-N	222.291	3.265	0	50	BGAA	
COc1cccc(-c2noc(CC(C)(C)C)n2)c1	4855192	IGZRRQQDSCMVSS-UHFFFAOYSA-N	246.310	3.334	0	50	BGAA	
Cc1ccc(CNCc2ccc(F)cc2)s1	5019279	VDVKIDPIHPFVGF-UHFFFAOYSA-N	235.327	3.485	0	50	BGAA	
Cc1ccc(F)c(NC(=O)c2ccccc2)c1	5510068	NFKPQRZJHVPXLR-UHFFFAOYSA-N	229.254	3.386	0	50	BGAA	
CCSc1nc(-c2ccc(Cl)cc2)n[nH]1	5907101	QLPOKSRQRYRBHF-UHFFFAOYSA-N	239.731	3.237	0	50	BGAA	
CC1CCC(NC(=O)Nc2ccccc2)CC1	6263610	MQAMSDBVTNTKJC-UHFFFAOYSA-N	232.327	3.387	0	50	BGAA	
COc1ccc(-c2cccc(O)c2)cc1	16946980	MEJYXDZTSTYXNP-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	
CN(C(=O)CC1CCCC1)c1ccccc1	72446877	XHLBMYWKKIMZEU-UHFFFAOYSA-N	217.312	3.230	0	50	BGAA	
O=Cc1c(Cl)cc(Cl)cc1OC(F)F	263623093	DNZKNDCAGXHBMT-UHFFFAOYSA-N	241.020	3.407	0	50	BGAA	
CCn1ncc(-c2ccc(OC)c(F)c2)c1C	1506406430	INJSIZHWFVROQN-UHFFFAOYSA-N	234.274	3.026	0	50	BGAA	
c1cc(Nc2ccns2)cc(-n2cccn2)c1	2356150131	NALJCONHKUAFET-UHFFFAOYSA-N	242.307	3.072	0	50	BGAA	
c1ccn(-c2ccc(-n3cccc3)cc2)c1	409569	ZHLJNYILTKSSOZ-UHFFFAOYSA-N	208.264	3.268	0	50	BGAA	
Cc1coc2c1c(C)cc1oc(=O)cc(C)c12	489089	YTECQPJHHAHABZ-UHFFFAOYSA-N	228.247	3.464	0	50	BGAA	biogenic
FC1(F)C(F)(F)[C@](F)(Cl)[C@@]1(F)Cl	2040755	LMHAGAHDHRQIMB-LWMBPPNESA-N	232.938	3.080	0	50	BGAA	in-vitro
Brc1ccc(N2CCCCC2)cc1	2526733	OACWQRGNHICZFD-UHFFFAOYSA-N	240.144	3.439	0	50	BGAA	in-vitro
O=C1c2ccc(Cl)cc2CCc2cccnc21	2569976	WMQNOYVVLMIZDV-UHFFFAOYSA-N	243.693	3.065	0	50	BGAA	in-vitro
CCCc1nnc(S)n1-c1cc(C)cc(C)c1	6391272	OBNJQEBPBNLAGW-UHFFFAOYSA-N	247.367	3.125	0	50	BGAA	
CCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C	6699345	YALNGVQVNBYWBB-GHMZBOCLSA-N	211.349	3.118	0	50	BGAA	
CC[C@@H](NC(=O)c1cc[nH]c1)c1ccc(C)cc1	68231357	SJEZUUVPDGBIKQ-CQSZACIVSA-N	242.322	3.204	0	50	BGAA	
C1=CC[C@]23CC(O[C@@H]4CCCCO4)C[C@]2(C1)C3	104126219	VUQBOEWMKVXUTQ-RBSFLKMASA-N	234.339	3.419	0	50	BGAA	
Cc1cc(Br)ccc1CF	113692206	KREHZAOZXBYTEJ-UHFFFAOYSA-N	203.054	3.227	0	50	BGAA	
CSCCC(=O)NCC1(CC(C)C)CCC1	151368652	CLMIVEDRANCQPJ-UHFFFAOYSA-N	243.416	3.072	0	50	BGAA	
Oc1cc(F)ccc1OCc1ccc(F)cc1	261493693	HEFDDDUJSWCSKI-UHFFFAOYSA-N	236.217	3.249	0	50	BGAA	
COc1ccc(N2C=NC(C)(C)C[C@@H]2C)cc1	888088418	XYTMJNUAHSSUMG-NSHDSACASA-N	232.327	3.101	0	50	BGAA	
CCOc1ccccc1-c1ccncc1OC	1239558870	LBQCXHNWHHHZDU-UHFFFAOYSA-N	229.279	3.156	0	50	BGAA	
c1csc(-c2ncc3ccccn23)c1	1079330	GIEMOICNGNRDKF-UHFFFAOYSA-N	200.266	3.063	0	50	BGAA	
CCN(CC)c1ccc(Br)cc1	1586384	NGYMZFJVHHKJQR-UHFFFAOYSA-N	228.133	3.295	0	50	BGAA	
CC(C)c1ccc(N)c(C(F)(F)F)c1	2556413	ZFHAHXSEZUPPNM-UHFFFAOYSA-N	203.207	3.411	0	50	BGAA	in-vitro
CC(C(=O)O)(c1ccccc1)c1ccccc1	3845890	ODELFXJUOVNEFZ-UHFFFAOYSA-N	226.275	3.077	0	50	BGAA	biogenic,in-vitro
CC(C)=CCC[C@@]12CC[C@@](CO)(CO1)[C@@H](C)C2	4026432	LQPMZMFZFJEKHJ-ZNMIVQPWSA-N	238.371	3.301	0	50	BGAA	biogenic
CCCCC(=O)Nc1ccc(N)cc1Cl	6203217	NDFLBWDNLUKAIL-UHFFFAOYSA-N	226.707	3.051	0	50	BGAA	
CC[C@@H](NC(=O)C(C)(C)C)c1ccccc1	6358700	CAHHTVNATSMQDE-GFCCVEGCSA-N	219.328	3.300	0	50	BGAA	
CC[C@H](C)c1ccccc1O[C@H](CC)C(=O)O	10473495	XAMHWZJEVYGSKH-CMPLNLGQSA-N	236.311	3.442	0	50	BGAA	
COc1cc(F)cc(-c2cccc(C(=O)O)c2)c1	65336982	XTCDFBNQEJRQAG-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
CC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@H]2CC[C@H]1C2	244507452	ZMIGPLLQWVBJJK-IGQOVBAYSA-N	235.371	3.214	0	50	BGAA	
CN(Cc1cscn1)[C@@H]1CCC(C)(C)C1	335790877	YXTJPMHNBYCYGD-LLVKDONJSA-N	224.373	3.154	0	50	BGAA	
CCc1cnc(CNc2csnc2C)s1	1875274399	FNJDMXUEXRDUIT-UHFFFAOYSA-N	239.369	3.083	0	50	BGAA	
CC[C@H](C)C(=O)Nc1cc(C)cc(C)c1	30443	SDCDTOKOVMORKJ-NSHDSACASA-N	205.301	3.288	0	50	BGAA	
COc1ccc(C)cc1NC(=O)N1CCCCC1	396551	XQYHMUMLZVFFLV-UHFFFAOYSA-N	248.326	3.021	0	50	BGAA	
Cc1ccc(NC(=O)Cc2ccc(F)cc2)cc1	2756035	UVOMBYOROZTSKL-UHFFFAOYSA-N	243.281	3.315	0	50	BGAA	
Cc1ccc(COc2ccc(C(=O)O)cc2)cc1	3014069	GQDITHZKLNZHHU-UHFFFAOYSA-N	242.274	3.272	0	50	BGAA	in-vitro
O=Cc1cccc(-c2ccccc2F)c1	4204252	JEZDTHCXEQVVLE-UHFFFAOYSA-N	200.212	3.305	0	50	BGAA	in-vitro
CCc1ccccc1NC(=O)C(C)(C)C	5477448	DATNYBCBZBWZQJ-UHFFFAOYSA-N	205.301	3.234	0	50	BGAA	
Nc1cccc(-c2noc(C3CCCCC3)n2)c1	11920588	WQFWBCAIFGIAMB-UHFFFAOYSA-N	243.310	3.367	0	50	BGAA	
COc1ccc2ncc(Br)cc2c1	32099248	QRVOHWUZAXJDNZ-UHFFFAOYSA-N	238.084	3.006	0	50	BGAA	in-vitro
CC(C)(Cc1ccccc1)NC(=O)C(C)(C)C	40620971	PWHSJWLFYYFUNB-UHFFFAOYSA-N	233.355	3.170	0	50	BGAA	
Fc1cnc(Br)cc1C(F)(F)F	67802794	CFKUMEAWTPZERA-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
Cc1cc(C(=O)O)c2cc(F)c(Cl)cc2n1	71864320	YYHDVUHAORJIKY-UHFFFAOYSA-N	239.633	3.034	0	50	BGAA	in-vitro
COc1cccc2c1oc1c(Cl)ncnc12	113053052	CUTMZWBUNGGDST-UHFFFAOYSA-N	234.642	3.038	0	50	BGAA	
c1ccc2c(N[C@H]3CCCOCC3)nccc2c1	310936270	IMPKVZYHNZALSF-ZDUSSCGKSA-N	242.322	3.216	0	50	BGAA	
CCc1ccc(OCc2ccc(C=O)o2)cc1	2578474	GRKKLEZXXMQHHF-UHFFFAOYSA-N	230.263	3.234	0	50	BGAA	
CCCCOc1c(Cl)cc(C=O)cc1OC	2764837	SWBBWWCRHKXGAH-UHFFFAOYSA-N	242.702	3.340	0	50	BGAA	
Cc1ccc(C)c(-c2cnc(N)s2)c1	3015430	DXQXVFKRBDGYSU-UHFFFAOYSA-N	204.298	3.009	0	50	BGAA	
CCCN(CCC)[C@H]1CCc2ccc(O)cc2C1	3870311	BLYMJBIZMIGWFK-HNNXBMFYSA-N	247.382	3.372	0	50	BGAA	biogenic,in-vivo
COc1ccc(CNC2CCCCC2)cc1OC	5013440	QFLBUZZARCEDNO-UHFFFAOYSA-N	249.354	3.126	0	50	BGAA	in-vitro
O=C(O)CSc1cc(Cl)cc(Cl)c1	11886230	UBNOVSDQXAGDCH-UHFFFAOYSA-N	237.107	3.170	0	50	BGAA	
c1ccc(CNCC2CCCCC2)cc1	12376481	CNKNITYCQODULW-UHFFFAOYSA-N	203.329	3.357	0	50	BGAA	in-vitro
Cc1ccccc1CNc1ccc2[nH]ncc2c1	23282962	MSRUZVKOWYCGEU-UHFFFAOYSA-N	237.306	3.483	0	50	BGAA	
CC(C)CC[C@H](C)N[C@H](CO)Cc1ccccc1	32513749	IRBQRYUZSPJWGP-HOCLYGCPSA-N	249.398	3.004	0	50	BGAA	
Nc1nc2cc(Cl)cc(Cl)c2s1	34955934	SZOSKIQVUBIDGL-UHFFFAOYSA-N	219.096	3.185	0	50	BGAA	in-vitro
Cc1noc(CCCc2ccc(Cl)cc2)n1	96139781	IJKBRNKSGZRCNO-UHFFFAOYSA-N	236.702	3.207	0	50	BGAA	
CC1=C[C@H]2CC(C)(C)[C@H]1C[C@@]2(O)C1=CCCO1	101082906	QJXIYRUZCUZCTD-HUBLWGQQSA-N	234.339	3.034	0	50	BGAA	
CN(CCC[C@H]1CCCO1)CCc1ccccc1	215987827	ZSFYLBGRNXFVPZ-INIZCTEOSA-N	247.382	3.120	0	50	BGAA	
CO[C@H](COc1ccccc1)c1ccccc1	226171737	DKLBUIVESCYJFT-OAHLLOKOSA-N	228.291	3.453	0	50	BGAA	
Cc1ccncc1CN1CCC[C@H]1C1CCC1	269567980	LQGSAKMDIAIQQW-HNNXBMFYSA-N	230.355	3.155	0	50	BGAA	
CC(C)c1cccc([C@H](O)C(F)(F)F)c1	688935896	LNQRCYWZFNFMNF-JTQLQIEISA-N	218.218	3.406	0	50	BGAA	
CCc1ccc(Nc2nc(C)cc(C)n2)cc1	150102	CAFQSMRAZZRYJB-UHFFFAOYSA-N	227.311	3.399	0	50	BGAA	
Fc1ccc(-c2cc(C(F)(F)F)on2)cc1	304943	ZMTVTWVTENIBLN-UHFFFAOYSA-N	231.148	3.500	0	50	BGAA	
O=C(Nc1cccc(Cl)c1)Oc1ccccn1	395109	JAQKROSJMWNOHP-UHFFFAOYSA-N	248.669	3.346	0	50	BGAA	
Cc1ccc2nc([C@@H](F)C(F)(F)F)[nH]c2c1	752006	HVTIUOGEPKJKSC-MRVPVSSYSA-N	232.180	3.444	0	50	BGAA	
COc1ccc(/C=C/C(=O)OCCC(C)C)cc1	1600509	UBNYRXMKIIGMKK-RMKNXTFCSA-N	248.322	3.298	0	50	BGAA	world
Cc1ccc(C(=O)C(F)(F)F)cc1C	2378564	AJVJGZSCQYMMDI-UHFFFAOYSA-N	202.175	3.048	0	50	BGAA	
c1ccc(CCNC2CCCCC2)cc1	2571299	HYESTPIIALLAAO-UHFFFAOYSA-N	203.329	3.151	0	50	BGAA	in-vitro
CC(C)c1ccc(C(=O)CCCC(=O)O)cc1	2579946	ZDLSMQFJULLIEF-UHFFFAOYSA-N	234.295	3.248	0	50	BGAA	
Cc1scc(C(=O)N2CCC(C)CC2)c1C	16605507	AWVLUPXCDXRFFK-UHFFFAOYSA-N	237.368	3.237	0	50	BGAA	
OCc1ccc2cc(Br)ccc2c1	34067002	MAARRMBCEFVKNV-UHFFFAOYSA-N	237.096	3.095	0	50	BGAA	
COc1ccccc1-c1ccsc1C(=O)O	36904651	QBWDBOONGOMYNQ-UHFFFAOYSA-N	234.276	3.122	0	50	BGAA	in-vitro
Cc1ccc(-c2ccc(C(=O)O)cc2F)cc1	43578246	SWJSUIIEJLICDO-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
C[C@@H]1C[C@H](CC(=O)NCC2CC2)CC(C)(C)C1	170620608	XVWRPOIUPVWGRC-DGCLKSJQSA-N	237.387	3.365	0	50	BGAA	
O=C(O)c1ncc(-c2ccc(Cl)cc2)s1	199792744	FKWFQNBRPKKLBU-UHFFFAOYSA-N	239.683	3.162	0	50	BGAA	
O=Cc1c(Br)cccc1C(F)F	216887051	LCKHECRYEOANSH-UHFFFAOYSA-N	235.027	3.199	0	50	BGAA	
CC[C@]1(c2cccc(O)c2)CCCCN(C)C1	460	JLICHNCFTLFZJN-HNNXBMFYSA-N	233.355	3.156	0	50	BGAA	biogenic,world
CC(=O)Nc1ccc(Oc2ccccc2)cc1	143410	JIHOMPVYRSEHKW-UHFFFAOYSA-N	227.263	3.437	0	50	BGAA	
C[C@@H](CC(=O)N1CCCCC1)c1ccccc1	318751	UFFWJAOQBZBQKJ-ZDUSSCGKSA-N	231.339	3.193	0	50	BGAA	
Cc1cccc(-c2nnc(-c3ccncc3)o2)c1	440418	DIQOEJPUEMTAOQ-UHFFFAOYSA-N	237.262	3.107	0	50	BGAA	
CCCN(CCC)[C@@H]1CCc2ccc(O)cc2C1	3870310	BLYMJBIZMIGWFK-OAHLLOKOSA-N	247.382	3.372	0	50	BGAA	biogenic,in-vivo
Nc1c(Br)cccc1C(F)(F)F	5161667	BQSYRDIUPNIUGC-UHFFFAOYSA-N	240.022	3.050	0	50	BGAA	
CC(C)c1ccc(/C=C2/SC(=O)NC2=O)cc1	12401712	GXIDNNRIWNVXTL-YRNVUSSQSA-N	247.319	3.134	0	50	BGAA	
O=Cc1c(C(F)(F)F)cc(Cl)nc1Cl	16159598	OBHMPLQCNUGZLV-UHFFFAOYSA-N	243.999	3.220	0	50	BGAA	
Cc1ccc2cccnc2c1Br	40544583	SLLODIGTEKKDMR-UHFFFAOYSA-N	222.085	3.306	0	50	BGAA	in-vitro
NCCc1ccccc1-c1cnc2ccccc2c1	67921396	BFCNQVSVRIRPBH-UHFFFAOYSA-N	248.329	3.403	0	50	BGAA	
Oc1ccc(C(F)(F)F)cc1C(F)F	238713325	WHODGZDANICEIA-UHFFFAOYSA-N	212.117	3.349	0	50	BGAA	
CCSCCSCc1cc(OC)ns1	585118527	SBEIAHZCFHXZKA-UHFFFAOYSA-N	249.426	3.138	0	50	BGAA	
CC(C)CCNC(=O)c1ccccc1Cl	30389	PGNJNTVXQORETO-UHFFFAOYSA-N	225.719	3.116	0	50	BGAA	
CCOc1ccc(C(=O)NC2CCCCC2)cc1	123295	PVJZNTAFOJHPHN-UHFFFAOYSA-N	247.338	3.148	0	50	BGAA	
CC(C)COCc1ccc(O)c2ncccc12	233300	MNOCWVILUCHHQF-UHFFFAOYSA-N	231.295	3.113	0	50	BGAA	
COc1ccc(Cl)cc1NC(=O)C1CCC1	3549464	YWFOSJDZCLCJJX-UHFFFAOYSA-N	239.702	3.087	0	50	BGAA	
Cc1ccc([C@H](O)c2ccc(F)c(F)c2)cc1	4255196	LVAMGOVTYHHEHV-AWEZNQCLSA-N	234.245	3.355	0	50	BGAA	
CC[C@H](O)c1nc2ccccc2n1CC(C)C	7548632	BFHBHANBTOZKHS-ZDUSSCGKSA-N	232.327	3.136	0	50	BGAA	
O=C(O)c1cccc(OCc2ccccc2F)c1	9237035	WLWPTPPJPNCDSH-UHFFFAOYSA-N	246.237	3.103	0	50	BGAA	
Nc1ccnc2c(Cl)cc(Cl)cc12	14987688	LWGSDQPVVLEBKP-UHFFFAOYSA-N	213.067	3.124	0	50	BGAA	in-vitro
CCCC[C@@H](CO)N[C@@H]1CCCC(C)(C)C1	20865577	PYZYMBDQQKDHSC-OLZOCXBDSA-N	227.392	3.096	0	50	BGAA	
Brc1ccccc1OCC1CC1	36765372	IIXPTSUWKTZRRW-UHFFFAOYSA-N	227.101	3.238	0	50	BGAA	in-vitro
CC1=C[C@@H]2CC(C)(C)[C@@H](O)[C@]23[C@H]1CC[C@H]3C	71786795	VEVMKHHFURWGSD-VVSAWPALSA-N	220.356	3.386	0	50	BGAA	
Cc1ccc(-c2cccc(F)c2C(N)=O)cc1C	96130334	PJIURNUCNLVZQL-UHFFFAOYSA-N	243.281	3.208	0	50	BGAA	
CN1C=CC=C/C1=C(/N=O)c1ccccc1	138769391	UEGDFEOJFJHFHQ-SEYXRHQNSA-N	212.252	3.137	0	50	BGAA	
CCc1cccc(C)c1NC(=O)C(C)C	29783	CIQTZXRNNMWOAC-UHFFFAOYSA-N	205.301	3.152	0	50	BGAA	
Cc1nnc(SCc2ccc(F)cc2)s1	50224	MJJRSYAKOCJHOE-UHFFFAOYSA-N	240.328	3.278	0	50	BGAA	
O=C(CSc1nc2ccccc2s1)C1CC1	244614	REJPVPZBYINWPC-UHFFFAOYSA-N	249.360	3.368	0	50	BGAA	
Cc1ccc(NC(=O)N2CCCCC2)cc1	396219	NSXGCPYCUKGQIL-UHFFFAOYSA-N	218.300	3.013	0	50	BGAA	
NC(=O)c1ccccc1Nc1cccc(Cl)c1	481303	BMOKTGIGLSDTMZ-UHFFFAOYSA-N	246.697	3.183	0	50	BGAA	
CCN1CCC(Nc2ccc3c(c2)CCC3)CC1	758173	RTUDPETXJUYFCW-UHFFFAOYSA-N	244.382	3.072	0	50	BGAA	
O=C1C[C@@H](c2ccccc2)c2ccccc21	1042109	SIUOTMYWHGODQX-AWEZNQCLSA-N	208.260	3.405	0	50	BGAA	biogenic,in-vitro
CC(C)c1cc(C(=O)O)cc(C(C)C)c1O	2019646	WYAZPCLFZZTVSP-UHFFFAOYSA-N	222.284	3.337	0	50	BGAA	in-vitro
O=Cc1cc(Cl)ccc1C(F)(F)F	2529878	CVRLMVFONQYBOC-UHFFFAOYSA-N	208.566	3.171	0	50	BGAA	in-vitro
CCc1cccc(OCCCN[C@H](C)CC)c1	2825201	IMVMASUMAJULST-CYBMUJFWSA-N	235.371	3.406	0	50	BGAA	
Cc1ccc(-c2ccc(C(=O)O)cc2)cc1F	4204259	AGILKOZQHXYYDS-UHFFFAOYSA-N	230.238	3.499	0	50	BGAA	in-vitro
COc1ccc(CCN[C@H]2CC[C@H](C)C2)cc1	4986908	TYKCGNAKDVLBTF-JSGCOSHPSA-N	233.355	3.016	0	50	BGAA	
C/C=C/C(=O)Oc1ccc(C(C)(C)C)cc1	5896080	LRTGONCHZIWACH-AATRIKPKSA-N	218.296	3.466	0	50	BGAA	
Cc1ccc(-n2ncc(-c3ccccc3)c2N)cc1	8569816	NPSQXXZREWTALG-UHFFFAOYSA-N	249.317	3.430	0	50	BGAA	
CNCCCOc1ccc(-c2ccccc2)cc1	16294187	OBOGDIOGBCTGMV-UHFFFAOYSA-N	241.334	3.342	0	50	BGAA	
O=Cc1ccc(Oc2ccc(C=O)cc2)cc1	25757216	GXZZHLULZRMUQC-UHFFFAOYSA-N	226.231	3.104	0	50	BGAA	in-vitro
CCC(=O)c1ccc(F)cc1N1CCCCC1	44124352	ARXXJNOTYKAFSN-UHFFFAOYSA-N	235.302	3.409	0	50	BGAA	
Sc1cc(Cl)ccc1Br	67799955	NHVLJECEOUZTJE-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	
C[C@@H]1CCNc2ccc(Br)cc21	84016849	WYQKXVFTGGGNMA-SSDOTTSWSA-N	226.117	3.368	0	50	BGAA	
CC(=O)c1ccc2c(c1)[C@H]1[C@H]3[C@@H]2[C@H]3[C@H]2CC[C@H]21	248380842	RIZPIOIQESKPGJ-KEMLUZLYSA-N	224.303	3.356	0	50	BGAA	
Cc1ccccc1C1(N)CCC(F)(F)CC1	255187228	CCBPYIKIVPCBHF-UHFFFAOYSA-N	225.282	3.358	0	50	BGAA	
Cc1ccc(C)c(NCc2nc(C3CC3)no2)c1	298852941	IRUPCIBADLNRNP-UHFFFAOYSA-N	243.310	3.176	0	50	BGAA	
COC(=O)c1cccc2c1N(C)C(C)(C)C=C2C	616591674	PZCBDZIZEOJVPD-UHFFFAOYSA-N	245.322	3.105	0	50	BGAA	
Clc1cncc(NCc2cc(C3CC3)no2)c1	895874918	JWKQWAPOKPTGSE-UHFFFAOYSA-N	249.701	3.213	0	50	BGAA	
Clc1cc2n[nH]cc2cc1OCC1CC1	953056146	WMQIIMBGTWHLTP-UHFFFAOYSA-N	222.675	3.005	0	50	BGAA	
Clc1ccc(C2=CSC3=NCCN23)cc1	40277	DFKOPKKSCIVOAK-UHFFFAOYSA-N	236.727	3.057	0	50	BGAA	
COc1cccc(C(=O)N2[C@H](C)CCC[C@H]2C)c1	438325	PYABAWMPQQPHIA-VXGBXAGGSA-N	247.338	3.098	0	50	BGAA	
COC(=O)c1cccc(-c2ccc(C)cc2)c1	1259895	HCYLHRKOAGCJRM-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
COc1cccc(-c2ccccc2C=O)c1	2574085	RFFPEDKBMAGOPD-UHFFFAOYSA-N	212.248	3.175	0	50	BGAA	
NCc1ccc(-c2ccc(Cl)cc2)o1	3356980	DNFUQWUUNLYWSL-UHFFFAOYSA-N	207.660	3.059	0	50	BGAA	in-vitro
COc1ccc(-c2csc(C=O)c2)cc1	4541893	QHFFOHGKCLHHFU-UHFFFAOYSA-N	218.277	3.236	0	50	BGAA	
CCc1cc(Br)cc(C)c1C(=O)O	67802550	ZTZKMTHOARMAGJ-UHFFFAOYSA-N	243.100	3.018	0	50	BGAA	
CC[C@H](C)C(=O)N1CCC[C@H]2CCCC[C@H]21	152756094	FUQFJMJQEASJNR-YNEHKIRRSA-N	223.360	3.214	0	50	BGAA	
CCOC(=O)Cc1cc(Cl)c(C)cc1Cl	263623152	FDFCDYCFTCKEIO-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
CCOC(=O)Cc1cc(Cl)c(C)c(Cl)c1	263624474	QVFAPHQRJZHSDG-UHFFFAOYSA-N	247.121	3.407	0	50	BGAA	
Cc1ccccc1C(=O)N[C@@H]1CCCC[C@H]1C	313144	NFPWJMSVIZIPLV-TZMCWYRMSA-N	231.339	3.304	0	50	BGAA	
C[C@H]1CCCN(C(=O)Nc2ccccc2F)C1	398697	WUVXFRGZGNSTQR-JTQLQIEISA-N	236.290	3.090	0	50	BGAA	
C[C@@H](CCN1CCCC[C@H]1CO)c1ccccc1	757291	BGANQIAXOIFQLM-HOCLYGCPSA-N	247.382	3.027	0	50	BGAA	
CCN(CC)c1cc(Oc2ccccc2)ncn1	2483188	ALUKGYNTLYICDO-UHFFFAOYSA-N	243.310	3.115	0	50	BGAA	
Cc1cccc(OCCCCn2ccnc2)c1	2493385	ICKOPAHXIDVWQX-UHFFFAOYSA-N	230.311	3.051	0	50	BGAA	
Cc1cccc(CNCc2ccccc2)c1	4167824	QBRIQEJWKAPIEE-UHFFFAOYSA-N	211.308	3.285	0	50	BGAA	
CCOC(=O)c1cc2cccc(C(C)C)c2[nH]1	4235008	MOBUOOMMQHCDGS-UHFFFAOYSA-N	231.295	3.468	0	50	BGAA	in-vitro
CCc1ccc([C@H](O)c2ccccc2)cc1	4255710	WAHXARPNYJOBPI-OAHLLOKOSA-N	212.292	3.331	0	50	BGAA	
COC(=O)/C=C\c1cccc2ccccc12	5660071	MNGYPDQJVYJTLM-KTKRTIGZSA-N	212.248	3.026	0	50	BGAA	
CC(C)(C)C(=O)NCCC1=CCCCC1	5900788	BTTINNUHQLLBMU-UHFFFAOYSA-N	209.333	3.039	0	50	BGAA	
CCOc1c(Cl)cc(Cl)cc1CNC	6702112	FNGKNMUKPUFITQ-UHFFFAOYSA-N	234.126	3.112	0	50	BGAA	
CSc1nccc(Oc2ccccc2F)n1	17117828	OXHSRLGXNXJBNQ-UHFFFAOYSA-N	236.271	3.130	0	50	BGAA	
Cc1[nH]nc(C(F)(F)F)c1-c1ccc(O)cc1	230583359	ZHXZAOFAFVNHOQ-UHFFFAOYSA-N	242.200	3.110	0	50	BGAA	
Cc1csc(-c2noc([C@@H](C)C3CC3)n2)n1	329747621	ZMVFLPBGNAHAAT-ZETCQYMHSA-N	235.312	3.015	0	50	BGAA	
CC1(C)CC[C@@H](N2CC(c3ccccn3)C2)C1	1857717482	VIFQBOGOBYWZEF-CYBMUJFWSA-N	230.355	3.060	0	50	BGAA	
COc1cc(Cl)ccc1NC(=O)C(C)(C)C	399211	GGGRWOLCYDENKP-UHFFFAOYSA-N	241.718	3.333	0	50	BGAA	in-vitro
CCSc1ccccc1C(=O)N1CCCC1	610182	PVXQVZKWULJNNF-UHFFFAOYSA-N	235.352	3.035	0	50	BGAA	
CCc1ccc(C(=O)O)c2ccccc12	1600595	PLFCGQDMWZGHOQ-UHFFFAOYSA-N	200.237	3.100	0	50	BGAA	in-vitro
O=C1CCCC[C@@H]1c1nccc2ccccc12	4137073	KVPQKEWJYNTYKV-ZDUSSCGKSA-N	225.291	3.462	0	50	BGAA	
Cc1ccc(-c2c(O)cc(O)nc2Cl)cc1	13395448	FLKFEPYLFAREQD-UHFFFAOYSA-N	235.670	3.122	0	50	BGAA	
Cc1cc(OCc2ccccc2)ccc1N	14630782	YMZVPMQBIGSBOW-UHFFFAOYSA-N	213.280	3.156	0	50	BGAA	in-vitro
C[C@H](Cc1ccccc1)NCc1ccco1	19534950	XWWSVBIGONHVQI-GFCCVEGCSA-N	215.296	3.000	0	50	BGAA	
O=Cc1csc(-c2ccccc2Cl)n1	19723118	OAOWVDLRNRMAQK-UHFFFAOYSA-N	223.684	3.276	0	50	BGAA	in-vitro
CCC[C@@H](C)NC(=O)c1cc(C)ccc1C	42141259	BJISMIUPGUYCGS-GFCCVEGCSA-N	219.328	3.222	0	50	BGAA	
Cc1ccc(C(=O)NCCC(C)C)c(C)c1	47650757	NNSPJUXYAFWEGX-UHFFFAOYSA-N	219.328	3.079	0	50	BGAA	
COc1ccc(-c2ccncc2C)c(OC)c1	65386713	IQTDEZLCLXYDHL-UHFFFAOYSA-N	229.279	3.074	0	50	BGAA	
O=Cc1c[nH]c(-c2ccccc2F)c1Cl	115729788	GIVGVEJDOHMXJY-UHFFFAOYSA-N	223.634	3.287	0	50	BGAA	
C[C@@H](CCCC(C)(C)O)N[C@@H]1CCCC1(C)C	200565469	MJZSRRKJRUSAMW-QWHCGFSZSA-N	241.419	3.484	0	50	BGAA	
c1ccc([C@H]2NCC23CCCCC3)cc1	299805400	MPADXOGTSKTMMS-CYBMUJFWSA-N	201.313	3.281	0	50	BGAA	
COc1ccc(-c2ccc(C=O)o2)cc1Cl	61814	ZPFXNBOOLWTXFB-UHFFFAOYSA-N	236.654	3.421	0	50	BGAA	in-vitro
Cc1nc(-c2ccc(Cl)cc2)sc1CN	168855	FMLXOUPJBDGSMT-UHFFFAOYSA-N	238.743	3.231	0	50	BGAA	
c1ccc(C2(c3ccccc3)CCNCC2)cc1	4364641	BTVVEKSXUOEVAY-UHFFFAOYSA-N	237.346	3.356	0	50	BGAA	in-vitro
Cc1ccc([C@H](CC(=O)O)C(C)C)cc1	11628844	ALSCSHNVIKLLRF-GFCCVEGCSA-N	206.285	3.209	0	50	BGAA	in-vitro
Cc1ccc(-c2ccccc2CN)cc1C	14629061	RDHVFVQWKBTWPO-UHFFFAOYSA-N	211.308	3.429	0	50	BGAA	in-vitro
C[C@]12CCCCC1=N[C@H](c1ccccc1)N2O	23114665	HOUYFKJROMXWKZ-KBPBESRZSA-N	230.311	3.164	0	50	BGAA	
Cc1cc(O)c(Cl)cc1Br	34519326	MDMLFLAHDYKOPZ-UHFFFAOYSA-N	221.481	3.117	0	50	BGAA	
CC(C)n1ncc2cc(Br)ccc21	65337229	ZHTBELQDIVCDNM-UHFFFAOYSA-N	239.116	3.380	0	50	BGAA	in-vitro
CC(C)(C)OC(=O)N1[C@]2(C)CC=CC[C@@]12C	101042721	QMZJOLSUGGYDAC-CHWSQXEVSA-N	223.316	3.105	0	50	BGAA	
CCc1cc(=O)oc2cc3occ(C)c3cc12	95195	UYAKQCXJDPAQPD-UHFFFAOYSA-N	228.247	3.410	0	50	BGAA	biogenic
Cc1cccc(C(=O)N2CCc3ccccc32)c1	101306	PJVLOZBKSVYKMD-UHFFFAOYSA-N	237.302	3.198	0	50	BGAA	
Cc1cc(Br)cc(Cl)c1O	164586	IDDUDPYBPXKGCP-UHFFFAOYSA-N	221.481	3.117	0	50	BGAA	in-vitro
Cc1nc(NC(=O)C2CCCCC2)sc1C	483537	ONHVSTCBBDWPOI-UHFFFAOYSA-N	238.356	3.279	0	50	BGAA	
Fc1cc(Br)c2[nH]ccc2c1	2525089	XOMFQRPHXMTJSG-UHFFFAOYSA-N	214.037	3.070	0	50	BGAA	in-vitro
CC(C)(C)C(=O)CNc1nc2ccccc2s1	6761689	FELYJCHPHBPDPJ-UHFFFAOYSA-N	248.351	3.323	0	50	BGAA	
Cc1ccc(Oc2ccc(CC(=O)O)cc2)cc1	20390938	ASLLHEFFXKSVHB-UHFFFAOYSA-N	242.274	3.414	0	50	BGAA	
CCc1ccc(-c2ccc(C(=O)O)nc2)cc1	41248116	OHDVKTLZPWXQQE-UHFFFAOYSA-N	227.263	3.009	0	50	BGAA	in-vitro
NCc1cc(C(F)(F)F)ccc1C(F)(F)F	71792264	IFPBPVAFNHXNFN-UHFFFAOYSA-N	243.150	3.183	0	50	BGAA	
COCc1cc(C)c(Br)c(C)c1	143483310	RBYDWRANJMZZGV-UHFFFAOYSA-N	229.117	3.212	0	50	BGAA	
CCc1ccc(OC(=O)/C=C/c2ccco2)cc1	70797	ZTQWZOJVPMWZQC-MDZDMXLPSA-N	242.274	3.461	0	50	BGAA	
CC(=O)c1cc(C)ccc1OC(=O)c1ccco1	265709	BUYMJBCPOLJZNN-UHFFFAOYSA-N	244.246	3.010	0	50	BGAA	
CCNC(=O)Nc1cc(Cl)ccc1Cl	398164	KXFAOGSQNGCPEZ-UHFFFAOYSA-N	233.098	3.135	0	50	BGAA	
Cc1ccc(-c2ccc(CC(=O)O)cc2)cc1	1256693	FOMRVYYSLZMDLM-UHFFFAOYSA-N	226.275	3.289	0	50	BGAA	in-vitro
COc1ccccc1Oc1ccc(C(=O)O)cc1	2574923	UYBHUZLSTOFTOG-UHFFFAOYSA-N	244.246	3.186	0	50	BGAA	in-vitro
O[C@H](c1ccc(F)cc1)c1cc(F)cc(F)c1	4290159	LQWBSFQCDFKNBG-CYBMUJFWSA-N	238.208	3.186	0	50	BGAA	
O=c1[nH]c2ccccc2n1CCC1CCCCC1	8671515	PEQBWSMHCRJRLQ-UHFFFAOYSA-N	244.338	3.300	0	50	BGAA	
Cc1ccc(NC(=O)NCc2ccco2)cc1F	13320307	UGHFXMCAFLKXNK-UHFFFAOYSA-N	248.257	3.049	0	50	BGAA	
Oc1cc(C(F)(F)F)ccc1Br	14989337	INHVNZLKNPJCJD-UHFFFAOYSA-N	241.006	3.174	0	50	BGAA	in-vitro
Cc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C)cc1C	16552234	HORJSKTWRAEGGR-DYEKYZERSA-N	231.339	3.137	0	50	BGAA	
COc1cccc(NCc2ccccc2)c1	19964188	IWXYQQZZRQBFKF-UHFFFAOYSA-N	213.280	3.307	0	50	BGAA	in-vitro
Nc1ccc(Br)nc1-c1ccccc1	20357577	FSEFNQUBOFFXKN-UHFFFAOYSA-N	249.111	3.093	0	50	BGAA	
Cc1cc(C)c2c(c1)C(=O)CC(C)(C)O2	32223758	BTIOTPCQAHNFEO-UHFFFAOYSA-N	204.269	3.047	0	50	BGAA	
Sc1nc2c(Br)cccc2s1	40434537	CNIJVNGILLYJHJ-UHFFFAOYSA-N	246.154	3.348	0	50	BGAA	in-vitro
O=C1C[C@@H]2CCCC[C@@H]2c2ccc(O)cc21	45027562	VYSBBTQKZSGCIX-ONGXEEELSA-N	216.280	3.252	0	50	BGAA	
C[C@H](CCN(C)Cc1ncc[nH]1)c1ccccc1	65385711	RCBSUTQSAXZBRE-CYBMUJFWSA-N	243.354	3.035	0	50	BGAA	
N=C(N)SCCc1ccc(Cl)c(Cl)c1	83254001	BXGBLZPKBJAYTH-UHFFFAOYSA-N	249.166	3.163	0	50	BGAA	
NCCCC[C@H](c1ccccc1)c1ccncc1	96027474	NHFGIESVWWQDJA-MRXNPFEDSA-N	240.350	3.343	0	50	BGAA	
CC(=O)O[C@@H]1C=C[C@@]23CC[C@@H](C)[C@@H]2CC[C@@]13C	104300745	JDTUOLDWYDXGNR-HUGQBSPZSA-N	234.339	3.321	0	50	BGAA	
CC(=O)c1ccccc1CCc1ccccc1N	252500159	SOBGEVGTCNRCLQ-UHFFFAOYSA-N	239.318	3.257	0	50	BGAA	
Cc1ncccc1-c1csc([C@H]2CCCO2)n1	408518948	MJGVHGZMGYMSFL-GFCCVEGCSA-N	246.335	3.365	0	50	BGAA	
Cn1c(COc2ccccc2)nc2ccccc21	41859	DOTIMNZXXZGBPP-UHFFFAOYSA-N	238.290	3.152	0	50	BGAA	
COc1oc(-c2ccccc2)nc1C(F)(F)F	112096	GXZPKCTUWACFKY-UHFFFAOYSA-N	243.184	3.369	0	50	BGAA	
CC[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1	116293	ZQZFNHBSPMVTEE-GFCCVEGCSA-N	244.294	3.115	0	50	BGAA	
COc1ccccc1C(=O)Oc1ccc(C)cc1	383718	CFZBWXZZLBXAOS-UHFFFAOYSA-N	242.274	3.223	0	50	BGAA	
Cc1ccc(NC(=O)Nc2ccccn2)cc1C	401909	NPBSNLFYEXUXDS-UHFFFAOYSA-N	241.294	3.342	0	50	BGAA	
O=C(Cn1ccccc1=S)c1ccccc1	457385	MYAJCBBCCFDNRA-UHFFFAOYSA-N	229.304	3.100	0	50	BGAA	
CC(=O)Nc1nc2cc(Cl)c(C)cc2s1	467763	XLFSAIMTDKUJGT-UHFFFAOYSA-N	240.715	3.217	0	50	BGAA	
OCCOc1c(Cl)cc(Cl)cc1Cl	1695289	LZTZSANFAWWCRW-UHFFFAOYSA-N	241.501	3.018	0	50	BGAA	
CC(C)(C)c1cc(NC(=O)c2ccccc2)no1	12381628	OULOTVPFESGZIO-UHFFFAOYSA-N	244.294	3.224	0	50	BGAA	
CNC/C=C/COc1ccccc1C(C)(C)C	12381770	XMDYAPQEXVUEEO-BQYQJAHWSA-N	233.355	3.139	0	50	BGAA	
Cc1ccc(-c2ccc(C(N)=S)cc2)cc1	32015441	JEDIPUDCVDNMJQ-UHFFFAOYSA-N	227.332	3.296	0	50	BGAA	
COc1ccc([C@H]2CCC[C@H](CC(=O)O)C2)cc1	34133028	ATOJJGJTWYSPGT-AAEUAGOBSA-N	248.322	3.444	0	50	BGAA	
O=C(O)c1ccc(Cc2cccs2)cc1	34936268	OAIBKSRZDOMJKZ-UHFFFAOYSA-N	218.277	3.037	0	50	BGAA	in-vitro
CC(C)(O)c1ccc2c(c1)Cc1ccccc1-2	38284201	YBSBJMDRRHGVBZ-UHFFFAOYSA-N	224.303	3.485	0	50	BGAA	
CCOc1cc(C)cc(Br)c1	62152414	HIEHJNOUANFKSO-UHFFFAOYSA-N	215.090	3.156	0	50	BGAA	
COC(=O)c1ccc(-c2cccc(F)c2)cc1F	97757379	BBXKCEIMGRIKPU-UHFFFAOYSA-N	248.228	3.418	0	50	BGAA	
Clc1ccc(SC[C@H]2CO2)c(Cl)c1	97758866	MSFHMTLEJOJLPC-SSDOTTSWSA-N	235.135	3.484	0	50	BGAA	
CC(C)c1ncc(CN(C)C[C@H]2CC2(C)C)cn1	670444925	SIAXSGRBORPKEV-CYBMUJFWSA-N	247.386	3.078	0	50	BGAA	
C=CC(=O)N[C@@H](C1CCCCC1)C1CCC1	1335286662	CGIXDYWGJWCDLM-AWEZNQCLSA-N	221.344	3.038	0	50	BGAA	
CC(C)(C)C(=O)Nc1ccccc1Cl	57112	XJDANTDMTCZGNQ-UHFFFAOYSA-N	211.692	3.325	0	50	BGAA	
CCSc1ncnc2sc(C)c(C)c12	98993	KKJMAJJKSVMOCP-UHFFFAOYSA-N	224.354	3.420	0	50	BGAA	
CO[C@@H]1CCCC[C@H]1NC1CCCCCC1	292982	JZDQZLOTEYWYNS-ZIAGYGMSSA-N	225.376	3.256	0	50	BGAA	
NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409900	AOLMGSAMTRTYEX-UHFFFAOYSA-N	248.285	3.001	0	50	BGAA	
CC(=O)N[C@H]1CCCC[C@@H]1Sc1ccccc1	620654	ACBXUZBGFUCFHW-KBPBESRZSA-N	249.379	3.226	0	50	BGAA	
CCCCCCOC(=O)c1ccccc1	2029851	UUGLJVMIFJNVFH-UHFFFAOYSA-N	206.285	3.424	0	50	BGAA	endogenous,in-man
Nc1ccnc2c(Cl)c(Cl)ccc12	32099420	LTNLLDGKTSLFRZ-UHFFFAOYSA-N	213.067	3.124	0	50	BGAA	in-vitro
CCCCOc1ncc(Br)cc1C	65337542	WEXJJRNSIABFEN-UHFFFAOYSA-N	244.132	3.331	0	50	BGAA	in-vitro
CCc1ccc(CN(C)[C@@H](C)c2ccccn2)o1	65527230	YRBDAZMMEONACM-LBPRGKRZSA-N	244.338	3.430	0	50	BGAA	
Sc1ccc(Cl)c(Br)c1	67796613	VHNFJTSIYZUSAR-UHFFFAOYSA-N	223.522	3.391	0	50	BGAA	
N[C@@H](c1ccccc1)C1(O)CCCCCCC1	958527758	HAHUWKJMYSIQHX-AWEZNQCLSA-N	233.355	3.162	0	50	BGAA	
C=CC(=O)Nc1cc(-c2ccccc2)cnc1C	1338390607	VQGNTCIFIWPKJG-UHFFFAOYSA-N	238.290	3.182	0	50	BGAA	
Cc1nc(C)c(-c2cccc(CC(=O)O)c2)s1	1857735905	VNRXHFJVJBJMRC-UHFFFAOYSA-N	247.319	3.054	0	50	BGAA	
O=C(O)C[C@H]1CCCC[C@@H]1c1ccccc1	1564616	WDABVCXHIRWXLA-CHWSQXEVSA-N	218.296	3.435	0	50	BGAA	
COc1ccc2[nH]cc(CCN(C)C(C)C)c2c1	2539072	HEDOODBJFVUQMS-UHFFFAOYSA-N	246.354	3.059	0	50	BGAA	in-vitro
O=Cc1ccccc1OCc1ccccc1F	2566713	BNEIFWJSGRGFJC-UHFFFAOYSA-N	230.238	3.217	0	50	BGAA	in-vitro
Cc1cccc([C@@H](O)c2ccc(F)c(F)c2)c1	4255192	QZYLHQCVGQXMMC-CQSZACIVSA-N	234.245	3.355	0	50	BGAA	
CCCCCc1ccc(C2=NNC(=O)CC2)cc1	4599387	IYFBULXWPSREDE-UHFFFAOYSA-N	244.338	3.033	0	50	BGAA	
COc1ccc2c(c1)[nH]c1cc(OC)ccc12	13383295	OFGBQGFYHXYVIA-UHFFFAOYSA-N	227.263	3.338	0	50	BGAA	biogenic
Cc1ccc2c(c1)C(=O)C(Cl)=C(Cl)C2=O	34119941	OKERVMJRZGYIKU-UHFFFAOYSA-N	241.073	3.063	0	50	BGAA	
Clc1ncnc2cc(Br)sc12	35269990	RJKAKJGOZXERRE-UHFFFAOYSA-N	249.520	3.107	0	50	BGAA	in-vitro
Fc1cc2nc(Cl)c(Cl)nc2cc1F	39170731	CMQLMJCICYOHDE-UHFFFAOYSA-N	235.020	3.215	0	50	BGAA	
CCCc1nc2c(cnn2[C@H](C)CCC)[nH]1	55342793	GBKBIYFNAFCBSS-SECBINFHSA-N	220.320	3.073	0	50	BGAA	
CN1c2ccccc2NC(=N)c2ccccc21	71774247	SQNNVLHFKQBSAB-UHFFFAOYSA-N	223.279	3.205	0	50	BGAA	
CC(C)n1nccc1-c1ccccc1N(C)C	426431106	MAFOBPGZPNLPAQ-UHFFFAOYSA-N	229.327	3.197	0	50	BGAA	
CC1=CC(C)(C)N2C(=O)Cc3cc(C)cc1c32	1740816338	AGOMDPCNTXQOLW-UHFFFAOYSA-N	227.307	3.080	0	50	BGAA	
O=c1cc(-c2ccccc2)oc2cccc(O)c12	57676	IYBLVRRCNVHZQJ-UHFFFAOYSA-N	238.242	3.166	0	50	BGAA	biogenic,in-vivo
COc1cc2nc(C)sc2cc1SC	185388	GWLKCQDLVAXDDK-UHFFFAOYSA-N	225.338	3.335	0	50	BGAA	
CC[C@@H](C)c1c(Cl)cccc1OCC(=O)O	409781	FOQJVPHGAPRTEO-MRVPVSSYSA-N	242.702	3.317	0	50	BGAA	
CC(=O)Nc1c(Cl)cc(F)cc1Cl	16125751	CXYGMKNUTOTBGM-UHFFFAOYSA-N	222.046	3.091	0	50	BGAA	in-vitro
O=Cc1cccc(C(F)(F)C(F)(F)F)c1	107281318	GRROUARZJYMBFH-UHFFFAOYSA-N	224.128	3.153	0	50	BGAA	
COc1cc(C)c(-c2cncc(O)c2)cc1C	125999166	RKHGOGNUHVKPAR-UHFFFAOYSA-N	229.279	3.080	0	50	BGAA	
Cc1cnc([C@@H](C)Nc2ccc(F)cc2)o1	309780008	MSIHPVWNNGRJCI-SECBINFHSA-N	220.247	3.295	0	50	BGAA	
Cc1nc(C)c(-c2ccc([C@H](C)N(C)C)cc2)[nH]1	426436838	YGDXFVAHRFKEQE-NSHDSACASA-N	243.354	3.316	0	50	BGAA	
Nc1nc(-c2cccc(Cl)c2)cs1	38021	QSEDBGULKWHVNE-UHFFFAOYSA-N	210.689	3.046	0	50	BGAA	in-vitro
O=C(O)c1cc(-c2ccco2)nc2ccccc12	74195	WWEKTFINADFAEC-UHFFFAOYSA-N	239.230	3.193	0	50	BGAA	in-vitro
Cc1cc(OCCn2ccnc2)ccc1C(C)C	311163	NHORTXAUJOVLHI-UHFFFAOYSA-N	244.338	3.394	0	50	BGAA	
CCC[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1	372616	SNYPTFGFGDPFCF-JTQLQIEISA-N	233.311	3.264	0	50	BGAA	
CC(=O)Nc1ccccc1OCc1ccccc1	390491	IRDKMDXASZJVNI-UHFFFAOYSA-N	241.290	3.224	0	50	BGAA	
c1ccc(N2CCCN2c2ccccc2)cc1	401643	IRMCWHUVXQCWKI-UHFFFAOYSA-N	224.307	3.318	0	50	BGAA	
COC(=O)Nc1ccc2ccccc2c1	460598	WKLZMQAKPRPVGI-UHFFFAOYSA-N	201.225	3.018	0	50	BGAA	
Cc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cs1	1009132	NGIUCZGATOVMDM-CABZTGNLSA-N	237.368	3.365	0	50	BGAA	
CC[C@@H](C(=O)NCCC(C)C)c1ccccc1	2061835	CIBQYIOZYGJTII-CQSZACIVSA-N	233.355	3.343	0	50	BGAA	
CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)c(C)c1	13746234	UJXQNVODNUYTFD-CHWSQXEVSA-N	248.370	3.462	0	50	BGAA	
COCCSc1ccc(Br)cc1	97102026	XEPIBIXPXFUJQF-UHFFFAOYSA-N	247.157	3.188	0	50	BGAA	
CCCC1(CNC(=O)[C@@H](C)n2cccc2)CCC1	154235284	DWTVLUSVLXIZAY-CYBMUJFWSA-N	248.370	3.136	0	50	BGAA	
CCOC(=O)c1cc2cccc(Cl)c2o1	227839505	PDNZAFFNCQPWDK-UHFFFAOYSA-N	224.643	3.263	0	50	BGAA	
Cc1ccnc(CNCc2c(C)cccc2C)c1	385863831	XISLMIVPEIZKQY-UHFFFAOYSA-N	240.350	3.297	0	50	BGAA	
Cc1cccnc1[C@@H](NC1CCCC1)C1CC1	534675365	PSQGJELPNBEGGA-HNNXBMFYSA-N	230.355	3.373	0	50	BGAA	
O=C([C@@H]1CC=CCC1)N1CC[C@@H]2CCCC[C@H]21	685945231	AAHGGBLRBJFRJH-BFHYXJOUSA-N	233.355	3.134	0	50	BGAA	
O=[N+]([O-])/C=C/c1ccc(Cl)cc1Cl	60160	LIWIJBBAMBDXME-ONEGZZNKSA-N	218.039	3.241	0	50	BGAA	
CCc1cc2c(N3CCCCC3)ncnc2s1	198590	YWOXHROBVYQTFW-UHFFFAOYSA-N	247.367	3.244	0	50	BGAA	
CN(C[C@H]1CC=CCC1)C[C@H](O)c1ccccc1	214772	XTEFZUUUYVDILA-HOCLYGCPSA-N	245.366	3.008	0	50	BGAA	
O=C(Nc1ccccc1)[C@@H]1C[C@@H]1c1ccccc1	357373	RWEUWCXPDZJTGC-HUUCEWRRSA-N	237.302	3.429	0	50	BGAA	
Cc1ccccc1C(=O)N[C@@H](C)CC(C)C	363788	LDHGXSBSUJVQNF-LBPRGKRZSA-N	219.328	3.159	0	50	BGAA	
CCCc1noc(-c2ccc(CC)cc2)n1	435728	DYLBALYJMNCMQU-UHFFFAOYSA-N	216.284	3.252	0	50	BGAA	
COC(=O)c1cccc(-c2cccc(C)c2)c1	1256898	CVGLGEBUFGMUDD-UHFFFAOYSA-N	226.275	3.449	0	50	BGAA	in-vitro
Cc1ccc(C2=CN3CCN=C3S2)c(C)c1	2597979	NTJMXIYCMZMXOX-UHFFFAOYSA-N	230.336	3.020	0	50	BGAA	
CC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	3134325	BKRVWLKXKJUFJJ-SECBINFHSA-N	212.676	3.005	0	50	BGAA	
COc1cccc([C@@H](C)NC(=O)C2CCCC2)c1	6742322	DQOATNUCXVMNEJ-LLVKDONJSA-N	247.338	3.063	0	50	BGAA	
Cc1occc1-c1n[nH]c(=S)n1C(C)C	6825211	WBPVSDCVYRJDRM-UHFFFAOYSA-N	223.301	3.090	0	50	BGAA	
O=Cc1cnc(-c2ccc3ccccc3c2)nc1	14608603	PEPUDGUDPHYAEY-UHFFFAOYSA-N	234.258	3.109	0	50	BGAA	
Cc1ccc(NC(=O)c2cccc(O)c2)c(C)c1	19836806	DVMCKPRLCUXVPB-UHFFFAOYSA-N	241.290	3.261	0	50	BGAA	
CCCCc1ccc(N)c(Br)c1	26469452	WJKALLIVRCQVOH-UHFFFAOYSA-N	228.133	3.374	0	50	BGAA	
CCCn1ncnc1-c1ccc([C@@H](C)OC)cc1	96153442	STOLPXBFDTXEEZ-LLVKDONJSA-N	245.326	3.063	0	50	BGAA	
C=CC(=O)Nc1ccc2c(c1)C=CCCC2	1356523621	XNVBJDYCIGHOPJ-UHFFFAOYSA-N	213.280	3.161	0	50	BGAA	
O[C@@H]1C[C@@H](c2ccccc2)NC2(CCCCC2)C1	163950	RXFNFESRQAGJJM-CABCVRRESA-N	245.366	3.175	0	50	BGAA	
CC(=O)c1ccc(N2Cc3ccccc3C2)cc1	367483	UODBUAYIIUXCEO-UHFFFAOYSA-N	237.302	3.409	0	50	BGAA	
O=C(Nc1ccccc1Cl)Oc1cccnc1	395133	NPXUSAPROLOVJP-UHFFFAOYSA-N	248.669	3.346	0	50	BGAA	
Cc1ccc(CC(=O)Nc2ccccc2C)cc1	577999	CQUHFULPQLOHMG-UHFFFAOYSA-N	239.318	3.485	0	50	BGAA	
O=Cc1ccc(COc2ccc(Cl)cc2)o1	1009212	AXNCLMMSMBLUBF-UHFFFAOYSA-N	236.654	3.325	0	50	BGAA	
CCCOC(=O)Nc1ccccc1Cl	2171517	WYMPKSAFVXHRJB-UHFFFAOYSA-N	213.664	3.299	0	50	BGAA	
COc1c(F)cc(Br)cc1Cl	2382136	IKWHDHGNXXVBHZ-UHFFFAOYSA-N	239.471	3.250	0	50	BGAA	biogenic,in-vitro
CC(=O)c1cccc(-c2ccccc2C=O)c1	2528956	TUSJFBTXRYWBMA-UHFFFAOYSA-N	224.259	3.369	0	50	BGAA	
CNCCCCCCCCCCCC(=O)O	2584374	XTXRYZLZPWMJBM-UHFFFAOYSA-N	229.364	3.191	0	50	BGAA	in-vitro
CCCCc1nc2ccccc2n1CC	13063030	PTSUMNCWBAAFSE-UHFFFAOYSA-N	202.301	3.399	0	50	BGAA	
CC(=O)c1cccc(NC(=O)OC(C)(C)C)c1	38003854	UBLMWQYLVOVZMT-UHFFFAOYSA-N	235.283	3.236	0	50	BGAA	
Cc1c(Cl)ccc(C(=O)O)c1Cl	39429195	KYAATGSGTLPBHN-UHFFFAOYSA-N	205.040	3.000	0	50	BGAA	in-vitro
O=C(O)c1ccc(Oc2ccc3c(c2)CCC3)o1	50907577	VJOLCEZMUZGCJQ-UHFFFAOYSA-N	244.246	3.259	0	50	BGAA	
O=C(c1ccccc1C(F)(F)F)C(F)(F)F	61893753	VPQVFSPSGIQSCW-UHFFFAOYSA-N	242.118	3.450	0	50	BGAA	
CCc1ccccc1-c1ccc(C)nc1N	65504206	BJYKWRYQKUKOGM-UHFFFAOYSA-N	212.296	3.202	0	50	BGAA	
O=Cc1cc(Cl)c(Br)cc1F	96024696	AJGYCHJPYQRCMC-UHFFFAOYSA-N	237.455	3.054	0	50	BGAA	
CCCCNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C	239412584	SXAKMJVAXVVQRR-QJPTWQEYSA-N	242.432	3.075	0	50	BGAA	
NCc1ccc(Cl)c(OC(F)F)c1Cl	263624306	PEFOTWRQOOCUBK-UHFFFAOYSA-N	242.052	3.054	0	50	BGAA	
FCCSc1nc2ccc(F)cc2s1	306907015	DEDQAAMHSWQBJD-UHFFFAOYSA-N	231.292	3.497	0	50	BGAA	
O=Cc1ccc(OC(=O)Nc2ccccc2)cc1	347577	BPFODGWHRDEZIG-UHFFFAOYSA-N	241.246	3.110	0	50	BGAA	
COc1ccc(-c2ccc(O)cc2)cc1	392732	CORJIEYQXMZUIW-UHFFFAOYSA-N	200.237	3.068	0	50	BGAA	in-vitro
c1ccc(-c2ncnnc2-c2ccccc2)cc1	393888	YPDRKSCNHYYJCO-UHFFFAOYSA-N	233.274	3.206	0	50	BGAA	
N#CN(Cc1ccccc1)Cc1ccccc1	400096	GJAHYSLBRZODMY-UHFFFAOYSA-N	222.291	3.170	0	50	BGAA	
CCCCCOc1ccc(C=O)cc1OC	2380184	KJTXCEXIFYAIFF-UHFFFAOYSA-N	222.284	3.077	0	50	BGAA	in-vitro
O=C(O)c1ccccc1-c1cccs1	2525697	GDSOQCSYONDNAJ-UHFFFAOYSA-N	204.250	3.113	0	50	BGAA	
O[C@@H](c1ccc(F)cc1)c1ccc(F)c(F)c1	4290154	CKPBXOPTSLPUIP-ZDUSSCGKSA-N	238.208	3.186	0	50	BGAA	
Cc1ccc(-c2cccc(CC(=O)O)c2)cc1F	85476924	VVLAWNDLVRTUDS-UHFFFAOYSA-N	244.265	3.428	0	50	BGAA	in-vitro
COc1ccc2c(c1)[C@H]1C=C[C@H]2[C@H]2C=C[C@@H]21	101037095	OBFXLUZQOMFZHE-UHXUPSOCSA-N	210.276	3.248	0	50	BGAA	
C[C@@H](CC(=O)N1CCCCO1)C1CCCCC1	170604275	BQQKLTVEWPHRIQ-LBPRGKRZSA-N	239.359	3.147	0	50	BGAA	
C1=C/[C@@H](Sc2ncc[nH]2)CCCCC/1	241846607	SMENVHUCOQZCTF-SNVBAGLBSA-N	208.330	3.391	0	50	BGAA	
COc1cc(F)ccc1-c1c(C2CC2)n[nH]c1C	426368325	QJHRJKUEEMEDKT-UHFFFAOYSA-N	246.285	3.410	0	50	BGAA	
C/C=C/[C@@H]1OC[C@H]2[C@@H](C)C=C(C)[C@H]1[C@H]2C	504230636	KZCLQQNWIIUXOP-PTVKXNOUSA-N	206.329	3.426	0	50	BGAA	
C=CC(=O)N[C@@H](c1ccc(CC)o1)C(C)(C)C	1875365994	KZHJIYYPUXIZKS-ZDUSSCGKSA-N	235.327	3.231	0	50	BGAA	
C/C=C(\C)CN1CCN(c2ccc(C)cc2)CC1	276960	DNQSSBPVSHYEOZ-LNKIKWGQSA-N	244.382	3.083	0	50	BGAA	
C[C@@H](CCc1ccccc1)NCc1cccnc1	757772	UHHMVVJDCBNHQP-AWEZNQCLSA-N	240.350	3.193	0	50	BGAA	
FC(F)(F)c1ccc2c(c1)NC[C@@H]1CCCN21	1395315	CYHAERRXOYRCDH-VIFPVBQESA-N	242.244	3.100	0	50	BGAA	
CN[C@@H](c1ccccc1)c1c[nH]c2ccccc12	5741679	FFYIAWRBSOCSOM-INIZCTEOSA-N	236.318	3.477	0	50	BGAA	
CCC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C	6699346	YALNGVQVNBYWBB-MNOVXSKESA-N	211.349	3.118	0	50	BGAA	
S=C1Nc2ccccc2[C@H](c2ccccc2)N1	33852692	KGYGEGTZCZIKMX-ZDUSSCGKSA-N	240.331	3.076	0	50	BGAA	
NCc1ccc(F)c(/C=C/c2ccccc2)c1	67726402	MOCGTTRNZKUZRP-SOFGYWHQSA-N	227.282	3.455	0	50	BGAA	
Cc1ccc(C)c(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)c1	225273160	OPACRQPXNAZIIF-YDHLFZDLSA-N	243.350	3.222	0	50	BGAA	
CN(C)c1ccc(-c2cc(C3CC3)ncn2)cc1	426547664	SQIYFDDXKMZOHA-UHFFFAOYSA-N	239.322	3.087	0	50	BGAA	
CC(C)Oc1cc(Cl)ccc1[C@@H](C)N	601014816	SSYDLGSFURQIAT-MRVPVSSYSA-N	213.708	3.147	0	50	BGAA	
O=Cc1cccc(-c2ccc(C(=O)O)cc2)c1F	725272384	PUBOJQNOPSWDGZ-UHFFFAOYSA-N	244.221	3.003	0	50	BGAA	
C=CC(=O)NC[C@@H]1CCCC[C@@H]1C(C)(C)C	1336675341	DRCNSWZQDQVGDD-RYUDHWBXSA-N	223.360	3.141	0	50	BGAA	
O=C(/C=C/c1ccccc1)Nc1cccc(F)c1	136117	SQJXVMSLVGLGQR-MDZDMXLPSA-N	241.265	3.478	0	50	BGAA	
O=C(O)CCSc1cccc2ccccc12	161526	YACOFFAUWZOOJH-UHFFFAOYSA-N	232.304	3.407	0	50	BGAA	
C[C@H](CCc1ccccc1)NC(=O)c1ccco1	185035	RBIMWMYKQANNSX-GFCCVEGCSA-N	243.306	3.031	0	50	BGAA	
Cc1cc(F)ccc1NCc1ccncc1	293374	PHECXUCVSQSGCE-UHFFFAOYSA-N	216.259	3.141	0	50	BGAA	
Cc1ccc(NC(=O)Oc2cccnc2)cc1	400437	VIJYSPQOZKHSBG-UHFFFAOYSA-N	228.251	3.001	0	50	BGAA	
CC[C@H]1CCCCN1C(=O)c1cccc(OC)c1	474198	OSBKWCGIVPCDJP-ZDUSSCGKSA-N	247.338	3.100	0	50	BGAA	
CCC(=O)Nc1ccc(C(F)(F)F)cc1	2583888	DUJJHEAAGNNLOK-UHFFFAOYSA-N	217.190	3.054	0	50	BGAA	in-vitro
CC[C@H](C(=O)Nc1ccccn1)c1ccccc1	4019061	QUXZVSPEGBUMBE-ZDUSSCGKSA-N	240.306	3.214	0	50	BGAA	
CCCCNCCCOc1ccc(Cl)cc1	5465873	UXUQALRSHXKYDF-UHFFFAOYSA-N	241.762	3.499	0	50	BGAA	
CCCOc1ccc(C(=O)N2CCCCC2)cc1	6701938	QOGCSECRHGLLPM-UHFFFAOYSA-N	247.338	3.102	0	50	BGAA	
Nc1cccc(-c2nnc(-c3cccs3)o2)c1	14988318	UOBCYCUHLFBWCT-UHFFFAOYSA-N	243.291	3.047	0	50	BGAA	
Clc1ncnc2c(Br)cccc12	22220903	NVMDCMMESVPNHN-UHFFFAOYSA-N	243.491	3.046	0	50	BGAA	
C[C@@H]1CN([C@H](C)CCc2ccccc2)C[C@@H](C)O1	23283492	SWPBYVAZDQCLRW-RBSFLKMASA-N	247.382	3.117	0	50	BGAA	
COc1ccc(F)cc1-c1cccc(C(=O)O)c1	38068827	XQQAQLGWHVTMBZ-UHFFFAOYSA-N	246.237	3.200	0	50	BGAA	in-vitro
C[C@@]12Oc3ccccc3[C@@H]1COc1ccccc12	71778196	OBFBQUXBXYBNCD-BBRMVZONSA-N	238.286	3.470	0	50	BGAA	
O=C1CCSc2cc(Br)ccc21	95704925	JVHFFCUGCPOSIF-UHFFFAOYSA-N	243.125	3.128	0	50	BGAA	in-vitro
O=C1CCc2cc(Cl)c(Br)cc21	205899746	UDXCLAYHZBRJFD-UHFFFAOYSA-N	245.503	3.231	0	50	BGAA	in-vitro
Fc1nc(Br)ccc1C(F)(F)F	263624224	OLLUDQWOPOFTHM-UHFFFAOYSA-N	243.985	3.002	0	50	BGAA	
COC(C)(C)CCNc1ccc2ccccc2n1	711836237	QRJNVJJAKCKHKS-UHFFFAOYSA-N	244.338	3.462	0	50	BGAA	
CC[C@H](C)C(=O)Nc1c(C)[nH]c2ccccc12	1857527809	SULXXRRBULRJCL-VIFPVBQESA-N	230.311	3.461	0	50	BGAA	
Cc1ccc([C@H]2OC(=O)c3ccccc32)cc1F	170537	ZNPINNIULFRSSJ-CQSZACIVSA-N	242.249	3.394	0	50	BGAA	biogenic
c1ccc2c(OCCN3CCCC3)cccc2c1	227195	AKLVNBLUXXTRBA-UHFFFAOYSA-N	241.334	3.314	0	50	BGAA	
CC(C)CNC(=O)Cc1cccc2ccccc12	363964	NEBRXEYNMLWSAW-UHFFFAOYSA-N	241.334	3.155	0	50	BGAA	
Cc1ccccc1C[C@@H]1CCCCCN1	3734904	JLYLRNHRKUXOMK-AWEZNQCLSA-N	203.329	3.070	0	50	BGAA	in-vitro
CCOc1ccc([C@H]2CCCCCN2)cc1	3734905	DMMRUUPDPAVQQH-CQSZACIVSA-N	219.328	3.290	0	50	BGAA	in-vitro
COC(=O)c1cccc(-c2cccs2)c1	6792963	MTYCPVXBEPSDOY-UHFFFAOYSA-N	218.277	3.202	0	50	BGAA	
O=C(O)c1cccc(-c2ccc(Cl)cc2)n1	35630164	JFMADCMXBNACFK-UHFFFAOYSA-N	233.654	3.100	0	50	BGAA	in-vitro
CCC(CC)NC(=O)c1cc(C)ccc1C	41295368	IGUHXYQISJNNHE-UHFFFAOYSA-N	219.328	3.222	0	50	BGAA	
FC(F)(F)c1nsc(Cl)c1Cl	91675783	SVWUJHFYRPRHOT-UHFFFAOYSA-N	222.018	3.469	0	50	BGAA	
CSC[C@H](C)N[C@@H](C)c1ccsc1	133999315	ARNVVDWHHHAUQK-IUCAKERBSA-N	215.387	3.150	0	50	BGAA	
O=C(O)c1ccc(CSCc2ccco2)cc1	60974	YKWFODPJEKPJPA-UHFFFAOYSA-N	248.303	3.411	0	50	BGAA	
O[C@@H]1C[C@H](c2ccccc2)NC2(CCCCC2)C1	163947	RXFNFESRQAGJJM-HUUCEWRRSA-N	245.366	3.175	0	50	BGAA	
O=C(O)c1sccc1OCc1ccccc1	166421	HUEDDFOWAJIHBA-UHFFFAOYSA-N	234.276	3.025	0	50	BGAA	
S=C(Nc1ccccc1)NC1CCCCC1	242541	PASBFQMDQRGJBH-UHFFFAOYSA-N	234.368	3.306	0	50	BGAA	
COC(=O)c1ccccc1Nc1ccccc1	249317	ODDHBYXHXZCAGQ-UHFFFAOYSA-N	227.263	3.217	0	50	BGAA	
NCCC(c1ccccc1)c1ccccc1	1723265	KISZTEOELCMZPY-UHFFFAOYSA-N	211.308	3.167	0	50	BGAA	in-vivo
COC(=O)c1cc(CC(C)C)nc2ccccc12	2754922	HHVVFIJNGBPSKU-UHFFFAOYSA-N	243.306	3.220	0	50	BGAA	
COc1ccc2c(c1)NC(C)(C)C=C2C	3893996	VNIQAUZZZWOJPT-UHFFFAOYSA-N	203.285	3.303	0	50	BGAA	biogenic,in-vitro
Cc1sc(=O)[nH]c1C12CC3CC(CC(C3)C1)C2	4644789	DTXZTUPVYOPFJF-UHFFFAOYSA-N	249.379	3.213	0	50	BGAA	
Cc1ccc(Cc2cnc(N)s2)cc1Cl	12349957	AVNGJGIMGFLQTR-UHFFFAOYSA-N	238.743	3.278	0	50	BGAA	
CCc1ccc(C(=O)N2CCC(C)CC2)s1	16603982	MWSBUNXIPIWVGI-UHFFFAOYSA-N	237.368	3.183	0	50	BGAA	
Cc1ccc(OC/C=C/Cn2ccnc2)c(C)c1	16622202	IBAAFFNCTAADLP-ONEGZZNKSA-N	242.322	3.135	0	50	BGAA	
CCc1cc2c(NC3CC3)nc(C)nc2s1	40456223	AZLXOPCRJPOKNR-UHFFFAOYSA-N	233.340	3.136	0	50	BGAA	
Cc1cc(N(C)C)cc(C)c1Br	44075519	AQJHDBKXJXXDKV-UHFFFAOYSA-N	228.133	3.132	0	50	BGAA	in-vitro
FC(F)(F)CCSc1ccccn1	72263999	XTNUFHZALZUDGF-UHFFFAOYSA-N	207.220	3.126	0	50	BGAA	
Cc1ccc(-c2nccn2C[C@]2(C)CCCO2)o1	82083225	BWYGIGRMXZYFQY-AWEZNQCLSA-N	246.310	3.021	0	50	BGAA	
C1=C(CCNCc2ccccc2)CCC1	120168678	ULKUDRWLTXXPQP-UHFFFAOYSA-N	201.313	3.277	0	50	BGAA	
C=CC(=O)N(C)[C@H]1CCCC[C@H]1c1ccccc1	1335866667	KCYDNYNWAHDKSZ-GJZGRUSLSA-N	243.350	3.357	0	50	BGAA	
CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)O	164663	MINZYOMFMKWNIN-UHFFFAOYSA-N	236.311	3.226	0	50	BGAA	
Cc1ccc(NC(=O)C2CCC2)cc1Cl	364235	FLFYXIFEJVBMOS-UHFFFAOYSA-N	223.703	3.387	0	50	BGAA	
COc1ccc(NC(=O)Nc2cccs2)cc1	4821282	WSVMMRQLSUZRHS-UHFFFAOYSA-N	248.307	3.401	0	50	BGAA	
CC(C)c1ccc(CN2CCSCC2)cc1	4990133	OMRDFYAADUYWGG-UHFFFAOYSA-N	235.396	3.359	0	50	BGAA	
C/C(=C\C(=O)N1CCCCC1)c1ccccc1	40642936	QYUIFFLDOVOEHO-OUKQBFOZSA-N	229.323	3.102	0	50	BGAA	
Cc1c(F)cc(Br)cc1F	66318963	NGINOAWMGMGBPJ-UHFFFAOYSA-N	207.017	3.036	0	50	BGAA	in-vitro
COc1ccccc1[C@@H]1CCN(C2CCCC2)C1	120148511	YFALJFIVXVCSRL-CYBMUJFWSA-N	245.366	3.427	0	50	BGAA	
COC(=O)[C@H](Cc1ccccc1)[Si](C)(C)C	169831379	JKXARWPUHZINBY-LBPRGKRZSA-N	236.387	3.111	0	50	BGAA	
CCCOc1ncc(Cl)cc1Cl	198002318	KNKQEFQXXDGQHX-UHFFFAOYSA-N	206.072	3.177	0	50	BGAA