smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1n[nH]c(O)c1/N=N/c1cccc(Cl)c1	101489162	AJECZIHJOITQNZ-OUKQBFOZSA-N	237.650	2.766	10	40	BFCB	
Cc1ccccc1Oc1ccc(N)cn1	8701101	FKZIVMODFXEOBP-UHFFFAOYSA-N	200.241	2.765	10	40	BFCB	
Cc1ccc(C)c2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21	4245152	UFDYDBRQKBXJOW-UHIISALHSA-N	243.306	2.842	10	40	BFCB	
C[C@H]1CC(C)(C)N(C)c2ccc(CN)cc21	223779489	AYWRXTAGZSLVJF-JTQLQIEISA-N	218.344	2.867	10	40	BFCB	
COc1ccc(-n2c(C)cc(CO)c2C)cc1	8701670	WSGKTJHPAFJCSM-UHFFFAOYSA-N	231.295	2.595	10	40	BFCB	
Cc1ccc2c(c1C)O[C@H](CN=[N+]=[N-])C2	218734815	DUUJCGRJLZSTJM-JTQLQIEISA-N	203.245	2.917	10	40	BFCB	
Cc1ccc(-[n+]2cc3ccccc3c(O)n2)cc1	19873056	QKIILCPOYPLRFD-UHFFFAOYSA-O	237.282	2.526	10	40	BFCB	
CCC(=O)NCc1ccc(N(CC)CC)cc1	193745301	KDDUPGCVTNQVJB-UHFFFAOYSA-N	234.343	2.559	10	40	BFCB	
Cc1cc(CO)c(C)n1-c1ccccc1	479352	WCSRYEKVFBXNCG-UHFFFAOYSA-N	201.269	2.586	10	40	BFCB	
CN(C)/N=N/c1ccc(Cl)cc1C(=O)O	1761029	PYRRGMPRUNPKOH-VAWYXSNFSA-N	227.651	2.599	10	40	BFCB	
CC[C@@H](C)c1ccc(O)c(CN(C)C)c1	16698721	XVRNWBQOSSXSAT-SNVBAGLBSA-N	207.317	2.967	10	40	BFCB	in-vitro
COc1cc2c(cc1CN)[C@@H](C)CC(C)(C)N2C	223781424	VPSVOCHYXXWFJD-JTQLQIEISA-N	248.370	2.876	10	40	BFCB	
CCN(CC)/N=N/c1ccc(C(=O)O)cc1	1571052	ABDRFEKKVMHBGW-OUKQBFOZSA-N	221.260	2.725	10	40	BFCB	
Nc1ccc(NCCc2ccccc2)cc1	3885333	YQDUTMLEOLCPDP-UHFFFAOYSA-N	212.296	2.923	10	40	BFCB	in-vitro
Cc1cc(C)c2c(c1)N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21	4859666	OGVRZBLIJMLYFQ-MISXGVKJSA-N	243.306	2.842	10	40	BFCB	
CCOc1cccc(CN[C@H](C)CC)c1O	19882176	PXJYGMFCTYVNMY-SNVBAGLBSA-N	223.316	2.679	10	40	BFCB	
COc1ccc(NC(=O)CN=[N+]=[N-])cc1Cl	100035914	SEHDFJXGUIMVNT-UHFFFAOYSA-N	240.650	2.597	10	40	BFCB	
Cc1ccc(C)n1-c1ccc([C@H]2CCCN2)cn1	72216745	QOCMICCILPLGEN-CQSZACIVSA-N	241.338	2.914	10	40	BFCB	
Oc1ccc(/N=N/c2ccccc2)c(O)n1	96191192	UCDZMNCEQOYDGS-BUHFOSPRSA-N	215.212	2.908	10	40	BFCB	in-vitro
CCOC(=O)CCCC[C@@H](C)/N=N\C	104103791	OXMHZKLTZKFIIF-NPAAXYOMSA-N	200.282	2.580	10	40	BFCB	
CCOC(=O)C1=CNc2ccccc2S1	6751215	YMMRXJDVGIZINX-UHFFFAOYSA-N	221.281	2.609	10	40	BFCB	
O=[S@](c1ccccc1)c1ccc(/N=N/O)nc1	5593679	PUJLYIOWHPMSEL-KRWDZBQOSA-N	247.279	2.721	10	40	BFCB	
CCc1ccc(CN)n1Cc1ccccc1	78405667	VUIMOVJYOMCESH-UHFFFAOYSA-N	214.312	2.558	10	40	BFCB	
CN(C)/N=N/c1ccc([N+](=O)[O-])cc1Cl	17991076	PEFSNGPKTIRLJO-ZHACJKMWSA-N	228.639	2.809	10	40	BFCB	
C[C@@H](N=[N+]=[N-])c1cn(-c2ccccc2)nn1	952989957	QORANJSXBICAAL-MRVPVSSYSA-N	214.232	2.639	10	40	BFCB	
Cc1ccc(C(=S)CCC(=O)O)cc1	71621316	XYBRQJBAQJTWPM-UHFFFAOYSA-N	208.282	2.578	10	40	BFCB	
Cc1cc(C)c2c(c1)C[C@H](CN=[N+]=[N-])O2	218734968	CCGBYJGPRPSHQR-SNVBAGLBSA-N	203.245	2.917	10	40	BFCB	
Cc1cc(C)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2	4854864	AUAYMJLUZNBPQT-COPLHBTASA-N	243.306	2.842	10	40	BFCB	
CC[C@H](C)c1ccc(O)c(CN(C)C)c1	16698722	XVRNWBQOSSXSAT-JTQLQIEISA-N	207.317	2.967	10	40	BFCB	in-vitro
CC1(C)[C@]2(C)CC[C@]1(c1ccccc1)C(=O)C2=O	103708384	RYYIJDCHFWBGBT-CVEARBPZSA-N	242.318	2.903	10	40	BFCB	
Nc1ccc(Oc2ccc(Cl)nn2)cc1	38056397	GJDYWPMIYVBINY-UHFFFAOYSA-N	221.647	2.505	10	40	BFCB	in-vitro
COc1ccc(N2C[C@H]2c2ccncc2)cc1	4053739	SENONULVWRXSKV-LBAUFKAWSA-N	226.279	2.652	10	40	BFCB	
CC(C)(/N=N/c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	18193873	LOLUQQGEHJFUJV-ZHACJKMWSA-N	238.203	2.691	10	40	BFCB	
CCCNCc1cc(Br)ccc1O	50273156	BHOOUCPLMCUSLS-UHFFFAOYSA-N	244.132	2.654	10	40	BFCB	
O[C@]1(c2ccccc2)CSC2=[N+]1CCCCC2	3200619	DECYABRLPZFPJQ-AWEZNQCLSA-N	248.371	2.564	10	40	BFCB	
Cc1cc(C)nc(/N=N\c2nc(C)cc(C)n2)n1	104365829	TXDVNXCNERNMTP-ZCXUNETKSA-N	242.286	2.916	10	40	BFCB	
Nc1ccc(OCC(F)(F)C(F)F)cc1	12397677	KKCMSTXDCCRVAH-UHFFFAOYSA-N	223.169	2.548	10	40	BFCB	in-vitro
CCCCN(C)/N=N/c1ccc(C(N)=O)cc1	18085435	DONQPAZURITJSU-CCEZHUSRSA-N	234.303	2.516	10	40	BFCB	
Cc1ccc(C)n1-c1ccc(OCC(=O)O)cc1	267005	VKHKAGOXFDDDIY-UHFFFAOYSA-N	245.278	2.558	10	40	BFCB	
CC1(C)CC(=O)[C@@H]2CNc3ccccc3N[C@@H]2C1	20095865	IHOWSQBIIVNUPJ-ZWNOBZJWSA-N	244.338	2.898	10	40	BFCB	
c1cc2c(cc1CNC1CCCC1)CCO2	37362345	FCTZRKSFMSTWPO-UHFFFAOYSA-N	217.312	2.654	10	40	BFCB	in-vitro
CCCCNCc1cccc(OCC)c1O	19906996	VCGGNFASQRIIGI-UHFFFAOYSA-N	223.316	2.681	10	40	BFCB	
CC(C)(C)c1ccc(O)c(CN2CCOCC2)c1	31924784	CHHOCJPVKSWIAO-UHFFFAOYSA-N	249.354	2.522	10	40	BFCB	
Cc1ccc(N)cc1-n1c(C)ccc1C	856716	RKORJKONKLIMLO-UHFFFAOYSA-N	200.285	2.985	10	40	BFCB	in-vitro
O=C1c2ccccc2C(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2CC1	17994350	UUILUGXGLYHBPX-DJBIQUGXSA-N	238.286	2.894	10	40	BFCB	
CN(C)/N=N/c1c(F)c(F)cc(F)c1F	18084558	HHDTWPQINWUXAX-BUHFOSPRSA-N	221.157	2.803	10	40	BFCB	
[N-]=[N+]=NC[C@@H](O)COc1cccc2ccccc12	34417531	GSSYVTMHROMKAE-LLVKDONJSA-N	243.266	2.890	10	40	BFCB	in-vitro
Cc1cc(CCC(=O)O)c(C)n1-c1ccccn1	223753024	FBODZRPFHQWMBK-UHFFFAOYSA-N	244.294	2.506	10	40	BFCB	
C/C(O)=C(/CN=NC(N)=O)c1ccccc1	245240748	SINXAIWXRMHEMG-LOWSQBDPSA-N	219.244	2.507	10	40	BFCB	
CN(C)c1ccc(/C=C2\SC(=O)NC2=N)cc1	15057223	YTUDVMGPYMFTGA-YFHOEESVSA-N	247.323	2.527	10	40	BFCB	
Nc1ccc(CN2CCc3ccccc32)cc1	20191870	YRCYUXVUZBJHOT-UHFFFAOYSA-N	224.307	2.832	10	40	BFCB	in-vitro
O=c1[nH]n(/N=N\c2ccccc2)c2ccccc12	104257971	GMAVKWXBUMBMOF-PEZBUJJGSA-N	238.250	2.877	10	40	BFCB	
O=C1NC(=S)/C(=C/c2ccccc2O)S1	1470435	ORKCFVFHHZRUEZ-YVMONPNESA-N	237.305	2.517	10	40	BFCB	
O=C1c2ccsc2C(=O)c2sccc21	1734681	NIJSWSKJHMSEGG-UHFFFAOYSA-N	220.274	2.585	10	40	BFCB	
Cc1cc(/C=C/C(=O)O)c(C)n1-c1ccccn1	223752906	CERQOQOXPNMTBD-VOTSOKGWSA-N	242.278	2.587	10	40	BFCB	
Nc1ccc(NC(=O)N2CCCCCC2)cc1	35407550	ILPXREVDYHLSSN-UHFFFAOYSA-N	233.315	2.677	10	40	BFCB	in-vitro
COc1cccc(C(=O)Nc2ccc(N)cc2)c1	7468098	AIOBNRULQOPKBT-UHFFFAOYSA-N	242.278	2.530	10	40	BFCB	
Nc1ccc(Oc2ccccc2N)cc1	37638258	LNLFBTIJJNGBQZ-UHFFFAOYSA-N	200.241	2.643	10	40	BFCB	
N=c1sccn1/N=N/c1ccccc1	5215104	PZZWFOVIDYNSBR-HDNPOCAZSA-N	204.258	2.576	10	40	BFCB	
Nc1ccc(Nc2ccccc2[N+](=O)[O-])cc1	19511313	PABVMKMWZAGWIU-UHFFFAOYSA-N	229.239	2.921	10	40	BFCB	
C[C@@H]1C[C@@H](C)CN(CCOc2ccc(N)cc2)C1	8703257	UQBCWNFSFGRHHS-CHWSQXEVSA-N	248.370	2.626	10	40	BFCB	
O=C(O)[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@@H]21	4134326	XQVYWCCDLAHPNJ-HOTUBEGUSA-N	249.697	2.878	10	40	BFCB	
COC(=O)c1cc(C)n(-c2ccccc2)c1C	32918908	IJHGSIQHALOUBQ-UHFFFAOYSA-N	229.279	2.881	10	40	BFCB	
CC(=O)N(C)Cc1c(O)ccc2ccccc12	1594249	UHKBOGNPZSSAQV-UHFFFAOYSA-N	229.279	2.524	10	40	BFCB	
CC1(C)CC(=O)[C@@H]2CNc3ccccc3N[C@H]2C1	20095863	IHOWSQBIIVNUPJ-MFKMUULPSA-N	244.338	2.898	10	40	BFCB	
CCOc1ccc2c(c1)C[C@@H](CN=[N+]=[N-])O2	218735469	XXMWZDFETPBGLN-JTQLQIEISA-N	219.244	2.699	10	40	BFCB	
C[C@@]12CCCCC1=N[C@@H](c1ccccc1O)N2O	20436828	UWCCUTIEUFYZSD-ZIAGYGMSSA-N	246.310	2.869	10	40	BFCB	
CC(C)(C)OC(=O)N1CCC[C@@H](N=[N+]=[N-])C1	32210473	IKEDNWKXANROGX-MRVPVSSYSA-N	226.280	2.696	10	40	BFCB	
Cc1cc(C)c2c(c1)N[C@H](C(=O)O)[C@H]1CC=C[C@H]21	2380404	OGVRZBLIJMLYFQ-MJVIPROJSA-N	243.306	2.842	10	40	BFCB	
CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1	3349481	VLRZRLQSSSPPCK-UHFFFAOYSA-N	242.322	2.844	10	40	BFCB	
Cc1ccc(C)c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21	13424800	UFDYDBRQKBXJOW-SUNKGSAMSA-N	243.306	2.842	10	40	BFCB	biogenic,in-vitro
CNCc1cc(C)n(-c2ccccc2F)c1C	223668989	OXXYOOHIZPHXMA-UHFFFAOYSA-N	232.302	2.953	10	40	BFCB	
O=C(O)/C=C/c1ccc(N2CCCCC2)cc1	20432631	YTISCXXFAWKVSE-RMKNXTFCSA-N	231.295	2.775	10	40	BFCB	
Cc1ccc(-n2c(C)cc(CO)c2C)cc1	800798	NYQSLDUTHOJFDH-UHFFFAOYSA-N	215.296	2.895	10	40	BFCB	
CC(C)(C)OC(=O)Oc1ccc(N)cc1	58037758	CDNPVHFIIFBSNH-UHFFFAOYSA-N	209.245	2.583	10	40	BFCB	in-vitro
Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)cc1C	40161116	CRRXWCIQLGBUMC-CHWSQXEVSA-N	249.354	2.618	10	40	BFCB	
CCC(=O)N1CCc2cc(N3CCCC3)ccc21	41121230	LJJXYUPTAVRUND-UHFFFAOYSA-N	244.338	2.586	10	40	BFCB	
Cc1ccc2nc(-c3ccc(O)c(O)c3)cn2c1	69987	BHRXRNFQFJCZDC-UHFFFAOYSA-N	240.262	2.721	10	40	BFCB	
CC(C)(C)N/N=N/c1ccc([N+](=O)[O-])cc1	17723440	FIUHCPFMGFASDM-UHFFFAOYSA-N	222.248	2.982	10	40	BFCB	
Nc1ncc(Cl)cc1OCc1ccccc1	39279580	HKIRXFDNDWPRAB-UHFFFAOYSA-N	234.686	2.896	10	40	BFCB	
Nc1cccc(N=[N+]([O-])c2cccc(N)c2)c1	104173706	DJGYNCWNFYWANE-UHFFFAOYSA-N	228.255	2.777	10	40	BFCB	
C[C@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1	20154977	DJTLYAVJQRKFJR-FZMZJTMJSA-N	246.354	2.506	10	40	BFCB	
CCn1ncc(NCc2ccccc2O)c1C	256050678	GCHSKAQRVVUAFB-UHFFFAOYSA-N	231.299	2.529	10	40	BFCB	
O=C1c2ccccc2C(=O)[C@@H]2[C@@H]3C=C[C@@H](CC3)[C@H]12	18006706	UUILUGXGLYHBPX-IOQCUFBNSA-N	238.286	2.894	10	40	BFCB	
CCCN[C@@H](C)c1ccc(N(C)C)cc1	34840510	QDMXEWRDSZGPQQ-NSHDSACASA-N	206.333	2.813	10	40	BFCB	
COC(=O)c1sc(SCC(C)C)cc1O	96510937	OWNCHCQPLXTLAG-UHFFFAOYSA-N	246.353	2.988	10	40	BFCB	
Nc1ccc(Oc2ccc(O)cc2)cc1	15446075	GLZLLFXFYSNLKA-UHFFFAOYSA-N	201.225	2.767	10	40	BFCB	
CCCN[C@H](C)c1ccc(N(C)C)cc1	34840512	QDMXEWRDSZGPQQ-LLVKDONJSA-N	206.333	2.813	10	40	BFCB	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/O	100929791	KJNWPPKWLFAFHR-UXBLZVDNSA-N	236.658	2.504	10	40	BFCB	
NC(=O)/N=N\c1ccc(Br)cc1	104224970	PZRILGSNKNWAEX-KHPPLWFESA-N	228.049	2.612	10	40	BFCB	
CN1C(=O)/C(=C\c2cccs2)SC1=S	4499182	QMBBPRYHNDTPEM-FNORWQNLSA-N	241.362	2.579	10	40	BFCB	
C/C(O)=C(/C/N=N\C(N)=O)c1ccccc1	100366880	SINXAIWXRMHEMG-IREHKBHHSA-N	219.244	2.507	10	40	BFCB	
CCC(CC)COC(=O)c1ccc(O)c(O)c1	1747268	CCCKHDBAXCHRQZ-UHFFFAOYSA-N	238.283	2.691	10	40	BFCB	
COc1ccc(-n2c(C)cc(C=O)c2C)cc1	2597440	APTDNVFPUFIPJW-UHFFFAOYSA-N	229.279	2.915	10	40	BFCB	in-vitro
COc1ccc(N(C)C)cc1Br	41252141	ZPTYNMDNRYYQSI-UHFFFAOYSA-N	230.105	2.524	10	40	BFCB	
COc1ccc(N2CCCC[C@@H]2C)c(N)c1	57363450	LEBURWNLOQEDFN-JTQLQIEISA-N	220.316	2.656	10	40	BFCB	
CCN(CC)Cc1ccc2cccnc2c1O	1653588	ZDKKFSNLZTZYRN-UHFFFAOYSA-N	230.311	2.782	10	40	BFCB	
COC(=O)c1ccc(/N=N/N(C)CN=[N+]=[N-])cc1	18119406	RQIGGPRWZKMUEX-FYWRMAATSA-N	248.246	2.672	10	40	BFCB	
C[C@@H]1CN(C)c2ccccc2NC1=S	4004782	DUSBOLKBPJVKSB-MRVPVSSYSA-N	206.314	2.512	10	40	BFCB	
Nc1ccc(OCCc2ccccc2)cc1	4599378	MMYXLHQQIXXGRR-UHFFFAOYSA-N	213.280	2.890	10	40	BFCB	
O=C(O)[C@@H]1Nc2c(Cl)cccc2[C@@H]2C=CC[C@H]12	58850704	CVJHIDHNTZEJPW-QOSJWCAFSA-N	249.697	2.878	10	40	BFCB	
COc1ccc(/N=N\N2CCCC2)cc1	104317253	MUGWKDATFDQVFX-SEYXRHQNSA-N	205.261	2.790	10	40	BFCB	
CN[C@@H](Cc1ccccc1)c1ccccc1O	1667166	FCIFTQCRAKCSEV-AWEZNQCLSA-N	227.307	2.895	10	40	BFCB	
C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1	20154975	DJTLYAVJQRKFJR-RISCZKNCSA-N	246.354	2.506	10	40	BFCB	
O=C(NCc1ccccc1O)Nc1ccccc1	3851257	BFSWPLAFLQBHAX-UHFFFAOYSA-N	242.278	2.714	10	40	BFCB	biogenic
O=C1CC(=O)c2cc(Cl)c(Cl)cc21	100221400	DMJDPMXHMLDKKK-UHFFFAOYSA-N	215.035	2.763	10	40	BFCB	
CCN1C(=O)/C(=C/c2ccco2)SC1=S	988753	NKTBMYLYHOYUOT-VURMDHGXSA-N	239.321	2.501	10	40	BFCB	
Nc1ccc(OCc2ccccc2F)cc1	8703687	ARKQSUYCILKUKZ-UHFFFAOYSA-N	217.243	2.987	10	40	BFCB	in-vitro
COc1ccc(N2C[C@H](C)C[C@@H](C)C2)c(N)c1	213360570	VKJFGWQLMLYRLD-GHMZBOCLSA-N	234.343	2.760	10	40	BFCB	
Cc1oc(C(=O)O)cc1COc1ccccc1	11960122	AYYNONLALKSFOE-UHFFFAOYSA-N	232.235	2.865	10	40	BFCB	
Oc1ccccc1[C@@H]1C[C@@H](c2ccccc2)NN1	96306163	NMQXZYLLZXBBHB-KBPBESRZSA-N	240.306	2.673	10	40	BFCB	
Cc1cc(C)c2c(c1)N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21	4859664	OGVRZBLIJMLYFQ-COPLHBTASA-N	243.306	2.842	10	40	BFCB	
CCCCN1C(=O)C(C)=C(C)[C@@H]1N=[N+]=[N-]	19907272	CALLNCFVEBTNOK-SECBINFHSA-N	208.265	2.602	10	40	BFCB	
[N-]=[N+]=N[C@@H]1CN(Cc2ccccc2)C[C@H]1N=[N+]=[N-]	14982847	SJTPNWLLDKCASW-GHMZBOCLSA-N	243.274	2.860	10	40	BFCB	
COc1ccc(/N=N/c2ccc(N)nc2N)cc1	15990220	ZYFQLPWMMMZNRY-WUKNDPDISA-N	243.270	2.670	10	40	BFCB	
c1ccn(-c2ccc(-c3cc[nH]n3)cc2)c1	13144308	JHDOSEILZJTRHJ-UHFFFAOYSA-N	209.252	2.867	10	40	BFCB	
C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2)C1	12410342	OASMPJKZOCFNCC-PHIMTYICSA-N	204.317	2.751	10	40	BFCB	
Nc1ccc(-n2ccc3cccnc32)cc1	96526577	UHGKNBSHQVNGLU-UHFFFAOYSA-N	209.252	2.608	10	40	BFCB	
Oc1ccccc1[C@H]1CC(c2cccs2)=NN1	3866568	AVJNYXCUWZQCSR-SNVBAGLBSA-N	244.319	2.892	10	40	BFCB	
CCC(CC)C(=O)Nc1ccc(N)cc1	8703421	IPIFNWKUPLTOHU-UHFFFAOYSA-N	206.289	2.644	10	40	BFCB	
Nc1ccc(Oc2cccc(F)c2F)nc1	62611112	FTAJMFXJHMYGOB-UHFFFAOYSA-N	222.194	2.734	10	40	BFCB	in-vitro
CCN1C(=O)/C(=C\c2ccccc2)SC1=S	5201085	ZQDPYAPUFMILTB-CSKARUKUSA-N	249.360	2.908	10	40	BFCB	
CCC[C@H](C)C(=O)Nc1ccc(N)cc1	8703423	KEGGEXNZYRHHPU-VIFPVBQESA-N	206.289	2.644	10	40	BFCB	
COC(=O)c1sc(Cl)c(Cl)c1O	34594966	OKYOKWYLOLTNFT-UHFFFAOYSA-N	227.068	2.547	10	40	BFCB	
CCOC(=O)CCCC[C@@H](C)/N=N/C	16923035	OXMHZKLTZKFIIF-JFJDQEMCSA-N	200.282	2.580	10	40	BFCB	
CN(C)c1ccc(/C=C/C2=[N+](C)CCS2)cc1	3158882	TVTSKJAWFLHOAY-UHFFFAOYSA-N	247.387	2.553	10	40	BFCB	
Cc1ccccc1NC(=O)Cc1ccc(N)cc1	19392950	SLFZQNGYPDYQET-UHFFFAOYSA-N	240.306	2.758	10	40	BFCB	
COc1cccc(/N=N/N2CCCC2)c1	1651067	FTAKNTQJSQWQGF-OUKQBFOZSA-N	205.261	2.790	10	40	BFCB	
CC[C@@H](N=[N+]=[N-])C(=O)Nc1cccc(OC)c1	101353354	ABRDMOVLRFYGDD-SNVBAGLBSA-N	234.259	2.723	10	40	BFCB	
C[C@]12CCCCC1=N[C@@H](c1ccccc1O)N2O	20436834	UWCCUTIEUFYZSD-KGLIPLIRSA-N	246.310	2.869	10	40	BFCB	
[N-]=[N+]=NC[C@@H]1Cc2cc(Cl)ccc2O1	85539000	NHAWSUSTZONVLW-QMMMGPOBSA-N	209.636	2.954	10	40	BFCB	
CCCN(C)/N=N/c1ccccc1C(=O)O	1702174	ZMEOAYBTLXINRY-OUKQBFOZSA-N	221.260	2.725	10	40	BFCB	
Cc1cccc(OC(=O)Cc2ccc(N)cc2)c1	225395549	QWOPXBGZEIWMPV-UHFFFAOYSA-N	241.290	2.725	10	40	BFCB	
COc1ccc2ccc(O)c(CN(C)OC)c2c1	26606977	AKLCHZZCECGINT-UHFFFAOYSA-N	247.294	2.547	10	40	BFCB	
CCN(CC)/N=N/c1ccc(NC(C)=O)cc1	18068185	KQASLUSNVDZDPS-CCEZHUSRSA-N	234.303	2.986	10	40	BFCB	
Cc1ccc(NC(=O)CN=[N+]=[N-])cc1C	100021905	PALJBDMVAGSXEI-UHFFFAOYSA-N	204.233	2.552	10	40	BFCB	in-vitro
CC(C)(C)CC(=O)Nc1ccc(N)cc1	8703425	VGCYHICAIXJFNG-UHFFFAOYSA-N	206.289	2.644	10	40	BFCB	
Cc1cc(CO)c(C)n1-c1cccc(F)c1	8701609	IGIHAEODCPFJQA-UHFFFAOYSA-N	219.259	2.726	10	40	BFCB	
CCCCN(C)/N=N/c1ccccc1C(N)=O	18044607	PRSZZFJFOGDPCM-CCEZHUSRSA-N	234.303	2.516	10	40	BFCB	
Cc1cc(-n2c(C)ccc2C)ccc1N	4904046	XDFOPWHDXDNRRD-UHFFFAOYSA-N	200.285	2.985	10	40	BFCB	
O=C1c2ccccc2C(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2C1	18189667	MVIKHPHEDJNFFN-FQPOAREZSA-N	224.259	2.504	10	40	BFCB	
CCCCc1cc2c(C)cc(=O)oc2c(O)c1O	1676265	CUQYSSSRIMMNDY-UHFFFAOYSA-N	248.278	2.855	10	40	BFCB	
COc1ccc(N2[C@@H](C)CC[C@H]2C)cc1N	17957892	QWZXSYRWDWUGGR-AOOOYVTPSA-N	220.316	2.655	10	40	BFCB	
Cc1cc(C(F)(F)F)nn1-c1ccc(N)cc1	11920553	HSVCQAYJONFPLU-UHFFFAOYSA-N	241.216	2.782	10	40	BFCB	in-vitro
O=c1c2ccccc3c(=O)c4ccccc1c4c23	3847139	WTRDREOIJAMMJJ-UHFFFAOYSA-N	232.238	2.742	10	40	BFCB	biogenic
Cc1cccc(-n2c(C)cc(CN)c2C)c1	11851002	NAYZTIKRWQGXEZ-UHFFFAOYSA-N	214.312	2.861	10	40	BFCB	
O=C1C(=O)[C@@H](c2ccccc2)Oc2ccccc21	1674545	YTAQZPGBTPDBPW-OAHLLOKOSA-N	238.242	2.572	10	40	BFCB	
COc1ccc(-n2c(C)ccc2C)cc1N	244540	DODVXTJCKSWPJB-UHFFFAOYSA-N	216.284	2.685	10	40	BFCB	
CCc1cc(C(=O)O)[nH]c1-c1ccccc1	5667074	UMOJSVVEHFOXKH-UHFFFAOYSA-N	215.252	2.942	10	40	BFCB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1ccc(N)cc1	20154945	DFACIZIGYIXHIS-VXGBXAGGSA-N	246.354	2.601	10	40	BFCB	
COc1cc(N)c(N2CCCCC2)c(Cl)c1	45886249	UZTHMQYIFRPSSH-UHFFFAOYSA-N	240.734	2.921	10	40	BFCB	
CN1[C@@H]2CCC[C@@H]1CN(/N=N/c1ccccc1)C2	100380009	HSCMOVCUZWPGDL-LPPHJRPXSA-N	244.342	2.854	10	40	BFCB	
CCN(CC)c1ccc(CNC2CC2)cc1	1507076	HTZFZFQHGCQFLF-UHFFFAOYSA-N	218.344	2.785	10	40	BFCB	
CCNc1cc(C)nc(Nc2ccc(N)cc2)n1	206580257	MEMYSJAMLSAIFE-UHFFFAOYSA-N	243.314	2.543	10	40	BFCB	
COc1cccc(CN2CCC(C)CC2)c1O	4680576	BRQBGRUIIDBQCY-UHFFFAOYSA-N	235.327	2.633	10	40	BFCB	
[N-]=[N+]=NCC(=O)Nc1ccc(F)c(Cl)c1	100021921	YORACBZKYNNKDU-UHFFFAOYSA-N	228.614	2.728	10	40	BFCB	
Cc1ccc(CN2C[C@@H](CN=[N+]=[N-])CC2=O)cc1	2087097725	GTXBICGMLOGZJU-GFCCVEGCSA-N	244.298	2.654	10	40	BFCB	
CCN1CCCC[C@@H]1CCOc1ccc(N)cc1	9239374	RUPCADOONQYYTE-CQSZACIVSA-N	248.370	2.912	10	40	BFCB	
Cc1ccc(NC(=O)CN=[N+]=[N-])cc1Cl	102917961	PQFSFUXMDGYDIJ-UHFFFAOYSA-N	224.651	2.897	10	40	BFCB	
Cc1ccccc1COc1cccnc1N	20483741	NVKFEARVHLZPMT-UHFFFAOYSA-N	214.268	2.551	10	40	BFCB	
Cc1cc(CO)c(C)n1-c1ccccc1F	479345	FNHHPNKGIUSJRW-UHFFFAOYSA-N	219.259	2.726	10	40	BFCB	in-vitro
CCOc1ccc(-n2c(C)cc(CN)c2C)cc1	11851027	VSMLYPDFGTVKOE-UHFFFAOYSA-N	244.338	2.952	10	40	BFCB	
Nc1ccc(OC(=O)Nc2ccc(O)cc2)cc1	1724003	VEJIFBFPDYXOTF-UHFFFAOYSA-N	244.250	2.585	10	40	BFCB	
COC(=O)c1sc(-c2ccccc2)cc1O	9740342	NFOGATBBXLOEOE-UHFFFAOYSA-N	234.276	2.907	10	40	BFCB	
Cc1sc(Br)c(O)c1C	218693271	BZPSYOXJIPJAJG-UHFFFAOYSA-N	207.092	2.833	10	40	BFCB	
Cc1ccc2c(c1C)N[C@@H](C(=O)O)[C@H]1CC=C[C@@H]21	100833054	UORZCPZFZNBVDZ-UHIISALHSA-N	243.306	2.842	10	40	BFCB	
Cc1nc2sc(C(=O)O)c(N)c2c(C)c1C	19862574	JANYWQKFHAKRMU-UHFFFAOYSA-N	236.296	2.502	10	40	BFCB	
Cc1cc(C(=O)O)c(C)n1-c1cccc(F)c1	20284340	GCWSSIBLQDMCJL-UHFFFAOYSA-N	233.242	2.931	10	40	BFCB	
Nc1ccc(Oc2ccnc(Cl)n2)cc1	20358088	YDCZDHZFURASCQ-UHFFFAOYSA-N	221.647	2.505	10	40	BFCB	in-vitro
CC1=CC(C)(C)N(C)c2cc(F)c(CN)cc21	223796268	NXJKUJRUOLJGCT-UHFFFAOYSA-N	234.318	2.916	10	40	BFCB	
Cc1cc(CO)c(C)n1-c1ccc(N(C)C)cc1	8701677	CUMHXXUWGZHNFD-UHFFFAOYSA-N	244.338	2.652	10	40	BFCB	
Nc1ccc(CC(=O)Oc2ccc(F)cc2)cc1	225395726	ZSXNEAUWMRSUNQ-UHFFFAOYSA-N	245.253	2.556	10	40	BFCB	
Cc1ccc(Oc2ccc(N)cc2)nc1	20444308	LZDJDDOFVXGTJS-UHFFFAOYSA-N	200.241	2.765	10	40	BFCB	in-vitro
Nc1ccc(CNc2ccccc2[N+](=O)[O-])cc1	43828221	QEAGCPNOFGQAGP-UHFFFAOYSA-N	243.266	2.789	10	40	BFCB	
CCn1cc(NCc2ccccc2O)c(C)n1	20352759	NCBPYSJHVUADRP-UHFFFAOYSA-N	231.299	2.529	10	40	BFCB	
Nc1n[nH]c(N)c1/N=N/c1ccccc1Cl	100614753	RYBDYKTYLCTOPG-BUHFOSPRSA-N	236.666	2.643	10	40	BFCB	
Cc1ccc(/C=C2/SC(=O)NC2=S)o1	1218232	RFQYZZVWLNKDCK-QPJJXVBHSA-N	225.294	2.713	10	40	BFCB	
Nc1ccc(NC(=O)/C=C/c2cccs2)cc1	63063493	BHDCUEQSGSSFFX-BQYQJAHWSA-N	244.319	2.982	10	40	BFCB	
Oc1ccc(CNc2ccc(O)cc2)cc1	572480	FDPUCXYAONEARI-UHFFFAOYSA-N	215.252	2.710	10	40	BFCB	
O=C1c2ccccc2C(=O)c2cc(F)ccc21	3896048	LFZBKGLFBCHVMF-UHFFFAOYSA-N	226.206	2.601	10	40	BFCB	
COCCc1ccc(C=O)n1Cc1ccccc1	226030789	KKUOKOUNWVDMQJ-UHFFFAOYSA-N	243.306	2.538	10	40	BFCB	
[N-]=[N+]=NCCC(=O)Nc1ccc(Cl)cc1	72333118	RPQVVXGUDSOQAA-UHFFFAOYSA-N	224.651	2.979	10	40	BFCB	
CCN(Cc1ccccc1O)CC1CC1	95457112	PRKXQJKKACYJAC-UHFFFAOYSA-N	205.301	2.624	10	40	BFCB	
O=C1NC(=S)S/C1=C/C=C\c1ccccc1	17302226	FPSVMWLWFSURME-WIXOJMCHSA-N	247.344	2.732	10	40	BFCB	
CC(C)(C)Oc1ccc(N2CCCNCC2)cc1	35298400	VRQVRHSNFUCHAI-UHFFFAOYSA-N	248.370	2.664	10	40	BFCB	
[N-]=[N+]=N[C@H]1C[C@H](F)CN(Cc2ccccc2)C1	1776010872	GBBMMVCPCODQHF-RYUDHWBXSA-N	234.278	2.909	10	40	BFCB	
Oc1ccccc1C1N=NC(=S)N=N1	27027323	IYOYSMRPORNNHT-UHFFFAOYSA-N	206.230	2.594	10	40	BFCB	
CCCc1ccc2c(N)c(C(=O)O)sc2n1	95952477	FFIHXHXWWLJOMI-UHFFFAOYSA-N	236.296	2.529	10	40	BFCB	
CCc1ccc(C=O)n1Cc1ccccc1	167803622	SLZYVHCQJONWQS-UHFFFAOYSA-N	213.280	2.911	10	40	BFCB	
CN1CCCC[C@H]1CCOc1ccc(N)cc1	9239372	PDNZRWSULLVICQ-ZDUSSCGKSA-N	234.343	2.522	10	40	BFCB	
CN(C)c1ccc(/C=C/C(=O)O)c(Cl)c1	2504989	YUBUWCZZSPJHNR-GQCTYLIASA-N	225.675	2.504	10	40	BFCB	
Nc1ncccc1OCc1cccc(Cl)c1	20483725	FHXFIGNXAAISEC-UHFFFAOYSA-N	234.686	2.896	10	40	BFCB	in-vitro
[N-]=[N+]=N[C@H]1CN(Cc2ccccc2)C[C@@H]1N=[N+]=[N-]	14982928	SJTPNWLLDKCASW-QWRGUYRKSA-N	243.274	2.860	10	40	BFCB	
Nc1ccc(CC(=O)Nc2ccccc2F)cc1	19262442	PCPMDOZKHIZXMK-UHFFFAOYSA-N	244.269	2.589	10	40	BFCB	
CCc1ccc(CO)n1Cc1ccccc1	226022384	KZOSWADFUUPXLQ-UHFFFAOYSA-N	215.296	2.591	10	40	BFCB	
CC1(C)CC(=O)[C@H]2CNc3ccccc3N[C@@H]2C1	20095862	IHOWSQBIIVNUPJ-GXFFZTMASA-N	244.338	2.898	10	40	BFCB	
Cc1ccc(/C=C2\SC(=S)NC2=O)cc1C	40549466	GGTGBXSNLOQXNL-POHAHGRESA-N	249.360	2.792	10	40	BFCB	
O=C1N=C(S)S/C1=C\c1cccc(F)c1	1863025	BGYGQXZHOBKLTR-YVMONPNESA-N	239.296	2.726	10	40	BFCB	in-vitro
CC1=C[S@@](=O)(N(C)C)=CC(c2ccccc2)=C1	104270532	ZAJOGRSGMPYLJP-KRWDZBQOSA-N	247.363	2.551	10	40	BFCB	
Oc1ccccc1[C@H]1C[C@H](c2ccccc2)NN1	96306162	NMQXZYLLZXBBHB-ZIAGYGMSSA-N	240.306	2.673	10	40	BFCB	
COc1ccc(N2[C@@H](C)CC[C@@H]2C)cc1C(=O)O	8703818	IOJQHOVVGIQZTH-UWVGGRQHSA-N	249.310	2.771	10	40	BFCB	
O=[N+]([O-])c1ccc(/N=N\N2CCCC2)cc1	104317281	VBIXEELEFIOGQR-QXMHVHEDSA-N	220.232	2.689	10	40	BFCB	
[N-]=[N+]=NCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	199749362	DRAGHAVNSKIXIT-UHFFFAOYSA-N	240.606	2.741	10	40	BFCB	
Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](C(=O)O)N2	4245161	QYUJXIHOGIEIGB-OUJBWJOFSA-N	229.279	2.533	10	40	BFCB	
CC(C)NCc1cc(Br)ccc1O	11920614	ARMQLWCCAHFKCF-UHFFFAOYSA-N	244.132	2.653	10	40	BFCB	
Cc1cc(C)c2c(c1)N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21	13152200	OGVRZBLIJMLYFQ-GYSYKLTISA-N	243.306	2.842	10	40	BFCB	
Oc1ccccc1C1=NN[C@@H](c2ccccc2)C1	548387	DEVPCIVVKIDHMZ-CYBMUJFWSA-N	238.290	2.831	10	40	BFCB	
C[C@H]1CN(C)c2ccccc2NC1=S	4004784	DUSBOLKBPJVKSB-QMMMGPOBSA-N	206.314	2.512	10	40	BFCB	
Cc1ccc(CN2C[C@H](CN=[N+]=[N-])CC2=O)cc1	2087097726	GTXBICGMLOGZJU-LBPRGKRZSA-N	244.298	2.654	10	40	BFCB	
CC(=C/C(=O)O)/C=C/c1ccc(N(C)C)cc1	4729408	ZNJDQNMSNXLIRW-MQZVTSARSA-N	231.295	2.797	10	40	BFCB	
Oc1ccccc1CNc1ccc2cn[nH]c2c1	96781091	GTCHVSFRVNLLMH-UHFFFAOYSA-N	239.278	2.881	10	40	BFCB	
CCc1cccc(C)c1NC(=O)CN=[N+]=[N-]	100020532	CWHQULJOLWPGOP-UHFFFAOYSA-N	218.260	2.806	10	40	BFCB	in-vitro
O=[N+]([O-])c1ccc(/N=N/N2CCCC2)cc1	5838370	VBIXEELEFIOGQR-VAWYXSNFSA-N	220.232	2.689	10	40	BFCB	
CCOc1ccc(-n2c(C)cc(CO)c2C)cc1	561099	DJGQWAJBHUBJNI-UHFFFAOYSA-N	245.322	2.985	10	40	BFCB	
Cn1cccc1/C=C1\C(=O)Nc2ccccc21	13780168	WSUCIBGSTGQSRL-XFXZXTDPSA-N	224.263	2.518	10	40	BFCB	
COc1cc(N)c(N2CCCC2)c(Cl)c1	45886245	DTCBDAIOCHMFNU-UHFFFAOYSA-N	226.707	2.531	10	40	BFCB	
[N-]=[N+]=NC[C@H](O)COc1cccc2ccccc12	34417532	GSSYVTMHROMKAE-NSHDSACASA-N	243.266	2.890	10	40	BFCB	in-vitro
Cc1ccc(COc2cccnc2N)cc1	20483745	WMITYVDDMIJATC-UHFFFAOYSA-N	214.268	2.551	10	40	BFCB	
Nc1ccc(N2CCc3ccccc3C2)cc1	9237955	JRZKTIUJSLMEHA-UHFFFAOYSA-N	224.307	2.832	10	40	BFCB	
COC[C@@H](NCc1ccc(OC)c(C)c1)C1CC1	97228334	HDLCQKDJDFNMBR-CQSZACIVSA-N	249.354	2.518	10	40	BFCB	
Oc1ccc(F)cc1CNc1ccccn1	83349258	HFQITWQKOBMMIW-UHFFFAOYSA-N	218.231	2.538	10	40	BFCB	
CN(C)/N=N/c1ccc(-c2c[nH]cn2)cc1	5817831	RSVRDBTVANQZQF-CCEZHUSRSA-N	215.260	2.637	10	40	BFCB	
Nc1ccc(CC(=O)OC2CCCCC2)cc1	20154913	RWUZEOGOVFKZNH-UHFFFAOYSA-N	233.311	2.687	10	40	BFCB	
CC(C)OC(=O)c1ccc(/N=N/N(C)C)cc1	1410307	MVDBZWJNTZSUTA-BUHFOSPRSA-N	235.287	2.812	10	40	BFCB	
CN[C@H](C)c1ccc(N2CCCC2)c(F)c1	20550881	NVKWMQLRKWJIGI-SNVBAGLBSA-N	222.307	2.706	10	40	BFCB	
Cc1ccc(/N=N/c2c(N)n[nH]c2N)c(C)c1	100903499	CSNHZYCYWFONSI-CCEZHUSRSA-N	230.275	2.606	10	40	BFCB	
Cc1c(Cl)cccc1NC(=O)CN=[N+]=[N-]	100035903	SZAFWGQDLPZPSC-UHFFFAOYSA-N	224.651	2.897	10	40	BFCB	
CN(C)/N=N\c1ccc(Cl)cc1C(=O)O	104183658	PYRRGMPRUNPKOH-QXMHVHEDSA-N	227.651	2.599	10	40	BFCB	
Cc1cccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21	105833764	MLQAOQXASUWCLY-GAFUQQFSSA-N	229.279	2.533	10	40	BFCB	
Cc1ccc2n1-c1ccccc1CN1CCO[C@@H]21	225377143	IMYNESFLESAZQQ-HNNXBMFYSA-N	240.306	2.630	10	40	BFCB	
O=C(O)[C@@H]1Nc2ccc(Cl)cc2[C@H]2C=CC[C@H]21	4134328	XQVYWCCDLAHPNJ-YGOYTEALSA-N	249.697	2.878	10	40	BFCB	
Cc1ccc(N2C(=O)CSC2=S)cc1C	1416655	RQSGHHTVESBMTR-UHFFFAOYSA-N	237.349	2.668	10	40	BFCB	
Nc1ccc(CC(=O)Nc2ccc(F)cc2)cc1	20185783	INZOAFOJFNKDHH-UHFFFAOYSA-N	244.269	2.589	10	40	BFCB	
[N-]=[N+]=NCC(=O)Nc1ccc(Cl)c(F)c1	100035889	NYAVDECLRPPRKJ-UHFFFAOYSA-N	228.614	2.728	10	40	BFCB	
Cc1c(N)cccc1-n1c(C)ccc1C	4992584	PLCFIZHPYTYHEC-UHFFFAOYSA-N	200.285	2.985	10	40	BFCB	
CN(Cc1ccccc1)c1ccc(N)cc1	19392177	IHDXFVHLQONBFX-UHFFFAOYSA-N	212.296	2.905	10	40	BFCB	in-vitro
CCNCc1ccc(N(CC)CC)cc1	6870005	IQRNMABPVBEGAF-UHFFFAOYSA-N	206.333	2.642	10	40	BFCB	
CN(C)c1ccc(-c2nc3ncccc3o2)cc1	34173797	HNTJFKFJQHIPJB-UHFFFAOYSA-N	239.278	2.956	10	40	BFCB	
CC[C@H](NC1CCC(O)CC1)c1ccccc1O	19918885	YQIFGXBNIOBOQJ-YIZWMMSDSA-N	249.354	2.736	10	40	BFCB	
Oc1ccc(/C=C\c2cc(O)c(O)c(O)c2)cc1	71614385	GRZOJEWQFCAKPF-UPHRSURJSA-N	244.246	2.679	10	40	BFCB	
COc1ccc(CNc2cccc(C)n2)c(O)c1	18284751	ASCJKZJRMMAOKA-UHFFFAOYSA-N	244.294	2.716	10	40	BFCB	
CN(Cc1ccc(N)cc1)C(=O)OC(C)(C)C	35360099	ZXZZEBPOSRKQAU-UHFFFAOYSA-N	236.315	2.636	10	40	BFCB	
Cc1ccc(NC(=O)Cc2ccc(N)cc2)cc1	20185763	SOYDPTMBOKOOFY-UHFFFAOYSA-N	240.306	2.758	10	40	BFCB	
Nc1ccc(COCCC(F)(F)F)cc1	70911551	CERQXOQRPCAHRJ-UHFFFAOYSA-N	219.206	2.738	10	40	BFCB	
CON(C)Cc1c(O)ccc2ccccc12	72602311	NWBPVAPGZTWCDS-UHFFFAOYSA-N	217.268	2.539	10	40	BFCB	
CN(C)/N=N\c1c(F)cc(F)c(F)c1F	104190134	FHJITNPAJJZKHV-YPKPFQOOSA-N	221.157	2.803	10	40	BFCB	
Oc1ccc(Cl)cc1CNCc1cccnc1	819554	LYQTWMKUOWGJJM-UHFFFAOYSA-N	248.713	2.730	10	40	BFCB	
Nc1n[nH]c(N)c1/N=N/c1cccc(Cl)c1	100557866	PFILEHJRVJXGIF-BUHFOSPRSA-N	236.666	2.643	10	40	BFCB	
Cc1cc(C)c2c(c1)N[C@H](C(=O)O)[C@@H]1CC=C[C@H]21	4859665	OGVRZBLIJMLYFQ-WDMOLILDSA-N	243.306	2.842	10	40	BFCB	
O=C(O)c1ccc(/N=N/N2CCCCC2)cc1	306213	CFUGLPMQZIPTCI-BUHFOSPRSA-N	233.271	2.869	10	40	BFCB	
C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2)C1	4678725	OASMPJKZOCFNCC-GHMZBOCLSA-N	204.317	2.751	10	40	BFCB	
Nc1ccc(OCc2ccc(F)cc2)cc1	6678590	WKJLZHPOOMPGPI-UHFFFAOYSA-N	217.243	2.987	10	40	BFCB	in-vitro
CC(C)n1cc(NCc2ccccc2O)cn1	61682504	RWVSWQOHLUWLLB-UHFFFAOYSA-N	231.299	2.782	10	40	BFCB	
CCNc1nc(C)cc(Nc2ccc(N)cc2)n1	206580829	FJCGUIUKBFRMAE-UHFFFAOYSA-N	243.314	2.543	10	40	BFCB	
Cc1ccccc1CN1C[C@@H](CN=[N+]=[N-])CC1=O	1889006673	LFWXFPZXIARNTM-LLVKDONJSA-N	244.298	2.654	10	40	BFCB	
NCCNc1c2ccccc2nc2ccccc12	6583654	YCSJDVLZYJRUHZ-UHFFFAOYSA-N	237.306	2.759	10	40	BFCB	
O=C1c2ccccc2C(=O)c2sccc21	164027	GDUFLCCHLCZVCJ-UHFFFAOYSA-N	214.245	2.524	10	40	BFCB	
CC(=O)c1ccc(-n2c(C)ccc2C)nc1	71602605	DLWDAJZVHPYNKM-UHFFFAOYSA-N	214.268	2.692	10	40	BFCB	
Oc1ccccc1C1=NN[C@H](c2ccccc2)C1	548389	DEVPCIVVKIDHMZ-ZDUSSCGKSA-N	238.290	2.831	10	40	BFCB	
CN(CO)/N=N\c1ccc(C(F)(F)F)cc1	104241549	QIRZYHHPKMMCDB-YPKPFQOOSA-N	233.193	2.586	10	40	BFCB	
Nc1sccc1C(=O)c1ccc(F)cc1	27299140	VVSDRAQASZJLQC-UHFFFAOYSA-N	221.256	2.700	10	40	BFCB	
CCc1ccc2c(c1)C[C@@H](CN=[N+]=[N-])O2	218735155	ZCECPVMBWCXOGO-JTQLQIEISA-N	203.245	2.863	10	40	BFCB	
CC1(C)[C@@]2(c3ccccc3)CC[C@@]1(C)C(=O)C2=O	103708392	RYYIJDCHFWBGBT-JKSUJKDBSA-N	242.318	2.903	10	40	BFCB	
Nc1ccc(OCC(=O)OC2CCCCC2)cc1	20155100	GFEXVJLOMFOWPG-UHFFFAOYSA-N	249.310	2.524	10	40	BFCB	
Cc1ccc(Cl)cc1NC(=O)CN=[N+]=[N-]	100035874	OJOXKWVHEXOTRR-UHFFFAOYSA-N	224.651	2.897	10	40	BFCB	
CC(C)(C)C(=N)C1C(=O)c2ccccc2C1=O	100943283	UEXLANGUMDSWMK-UHFFFAOYSA-N	229.279	2.748	10	40	BFCB	
COc1ccc(-n2c(C)cc(CN)c2C)cc1	11851026	LTZKWMJXWMLEJP-UHFFFAOYSA-N	230.311	2.561	10	40	BFCB	
[N-]=[N+]=NCC(=O)c1ccc(Cl)s1	107339296	BSDNFSWTVBYBKR-UHFFFAOYSA-N	201.638	2.895	10	40	BFCB	
COC(=O)c1ccc(Cn2c(C)ccc2C)cc1	20447559	BYUMLMIQUIXHPC-UHFFFAOYSA-N	243.306	2.940	10	40	BFCB	
CC(C)(C)OC(=O)N1CCC[C@H](N=[N+]=[N-])C1	32210477	IKEDNWKXANROGX-QMMMGPOBSA-N	226.280	2.696	10	40	BFCB	
CCc1ccc(N2C(=O)CSC2=S)cc1	1045154	KXIYSAVTRBOWBI-UHFFFAOYSA-N	237.349	2.614	10	40	BFCB	
Oc1ccc(N=Nc2nccs2)c(O)c1	253979498	SHNIKUXMZFPPCS-UHFFFAOYSA-N	221.241	2.970	10	40	BFCB	
Cc1cc(C)c2c(c1)N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21	4639154	OGVRZBLIJMLYFQ-SUNKGSAMSA-N	243.306	2.842	10	40	BFCB	
CCCCCC(=O)Nc1ccc(N)cc1	8703420	VGKYWZIKOVHZFE-UHFFFAOYSA-N	206.289	2.788	10	40	BFCB	
Cc1cccc(NC(=O)Cc2ccc(N)cc2)c1	20185761	HXIIKBYNRUPMCI-UHFFFAOYSA-N	240.306	2.758	10	40	BFCB	
O=C(c1ccccc1)[n+]1ccc2ccccc2c1	1735474	UFFVGXRDEKWGST-UHFFFAOYSA-N	234.278	2.816	10	40	BFCB	
C[C@@H]1C[C@@H](C)CN(Cc2ccc(N)cc2)C1	22163927	MDOWXVRXHYVFNN-VXGBXAGGSA-N	218.344	2.747	10	40	BFCB	
CC(=O)OC(C)(C)/N=N\CCc1ccccc1	17313512	KIDBMNBISLMIRK-PFONDFGASA-N	234.299	2.981	10	40	BFCB	
CC(C)(C)OC(=O)NC[C@@H](CN=[N+]=[N-])N=[N+]=[N-]	34541046	JQCNNYTWXOUCDB-LURJTMIESA-N	241.255	2.500	10	40	BFCB	in-vitro
CC(C)c1ccc2c(N)c(C(=O)O)sc2n1	59606817	BHHKOSPJIWHBHR-UHFFFAOYSA-N	236.296	2.700	10	40	BFCB	
COc1ccc(N2C[C@@H](C)C[C@H](C)C2)c(N)c1	213360509	VKJFGWQLMLYRLD-QWRGUYRKSA-N	234.343	2.760	10	40	BFCB	
Nc1ccc(OCc2nc3ccccc3[nH]2)cc1	38055548	KFQRIMWPTMLPJS-UHFFFAOYSA-N	239.278	2.724	10	40	BFCB	
Cc1cccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21	8415456	MLQAOQXASUWCLY-CDMKHQONSA-N	229.279	2.533	10	40	BFCB	
Cc1ccc(C)c(NC(=O)CN=[N+]=[N-])c1	100035924	BCHAIEYSUGEFSN-UHFFFAOYSA-N	204.233	2.552	10	40	BFCB	
[N-]=[N+]=NC[C@H]1Cc2cc(Cl)ccc2O1	85538998	NHAWSUSTZONVLW-MRVPVSSYSA-N	209.636	2.954	10	40	BFCB	
Cc1cc(CN)c(C)n1-c1ccc(F)c(F)c1	34936144	XKSPGORRNMHELA-UHFFFAOYSA-N	236.265	2.831	10	40	BFCB	
COc1ccc(C(=O)Nc2ccc(N)cc2)cc1	569995	JFQKGZMJASBPNU-UHFFFAOYSA-N	242.278	2.530	10	40	BFCB	
C=COC(=O)c1sc2nc(C)cc(C)c2c1N	62978	SIZNRRQOLUHNFB-UHFFFAOYSA-N	248.307	2.796	10	40	BFCB	
O=C1C(=O)c2ccccc2CCc2ccccc21	3848035	FBFVXHNJGVOZPS-UHFFFAOYSA-N	236.270	2.851	10	40	BFCB	biogenic,in-vivo
CC(=O)c1ccc(Oc2ccc(N)cn2)cc1	8764114	ROOGIQFYOPXDIR-UHFFFAOYSA-N	228.251	2.659	10	40	BFCB	
Cn1c(-c2ccccc2)cnc1SCCCO	40462483	UAKICADQNHJQHG-UHFFFAOYSA-N	248.351	2.562	10	40	BFCB	
CCCn1ccc(NCc2ccccc2O)n1	20352757	ZIEVKYNYKPCBJF-UHFFFAOYSA-N	231.299	2.611	10	40	BFCB	
Cc1oc(C)c2c1C(=O)c1ccccc1C2=O	1666793	OUHKARAJFJGDPN-UHFFFAOYSA-N	226.231	2.672	10	40	BFCB	
Cc1cc(CN)c(C)n1-c1ccccc1	11851000	KYEWCCAPMWWTDQ-UHFFFAOYSA-N	200.285	2.553	10	40	BFCB	
Nc1ccc(Cc2cccc(F)c2)cc1	19780208	MHQFWNVGTWPLLS-UHFFFAOYSA-N	201.244	2.999	10	40	BFCB	
N=C1C(=O)c2ccccc2-c2ccccc21	5051894	KTOHWYNGCILGLH-UHFFFAOYSA-N	207.232	2.918	10	40	BFCB	
CSC(=S)NCc1ccc(C)cc1	4105408	QWNYWOCCYWORJB-UHFFFAOYSA-N	211.355	2.733	10	40	BFCB	
Cc1cccc(NC(=O)CN=[N+]=[N-])c1C	100035860	ANYLSRVDHUZLPJ-UHFFFAOYSA-N	204.233	2.552	10	40	BFCB	
CCn1cc(C)c(NCc2ccccc2O)n1	256054486	WMQLSJJPPSJFGT-UHFFFAOYSA-N	231.299	2.529	10	40	BFCB	
CN1[C@H]2CCC[C@@H]1CN(/N=N/c1ccccc1)C2	16890087	HSCMOVCUZWPGDL-OEYYDGDVSA-N	244.342	2.854	10	40	BFCB	
Cc1ccn2cc(-c3ccc(O)c(O)c3)nc2c1	37306	PMQZXEBSVASLTG-UHFFFAOYSA-N	240.262	2.721	10	40	BFCB	
CNc1cccc(Cc2ccc(N)cc2)c1	154820	ZWIODHBIXOWARI-UHFFFAOYSA-N	212.296	2.901	10	40	BFCB	
Nc1ccc(Oc2cccc(F)c2)nc1	22216030	ZEDOBTDHLFLYOX-UHFFFAOYSA-N	204.204	2.595	10	40	BFCB	
COc1cccc(CNc2cnccc2C)c1O	71413393	YJUKMRWVGPRWMH-UHFFFAOYSA-N	244.294	2.716	10	40	BFCB	
Cc1ccc(C)n1-c1ccc([C@H](C)NN)cc1	199536656	NHTCQGKREIKAPT-LBPRGKRZSA-N	229.327	2.618	10	40	BFCB	
CN1[C@H]2CC[C@@H](Cc3ccc(N)cc3)[C@H]1CC2	242390249	AGNWPTFINUHALX-AEGPPILISA-N	230.355	2.684	10	40	BFCB	
c1cc2c(cc1CN[C@@H]1CCCSC1)CCO2	98018521	LSKGSBCOROOVRB-CYBMUJFWSA-N	249.379	2.607	10	40	BFCB	
Cc1ccc(NC(=O)CN=[N+]=[N-])c(C)c1	100035912	XHMBUYCPDGMHHG-UHFFFAOYSA-N	204.233	2.552	10	40	BFCB	in-vitro
Cc1cc(C)c2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2	4640824	AUAYMJLUZNBPQT-MISXGVKJSA-N	243.306	2.842	10	40	BFCB	
CC(C)(C)C(=O)[C@H]1CC(=O)c2ccccc2C1=O	102978816	COUKTGFAMVFIAX-NSHDSACASA-N	244.290	2.687	10	40	BFCB	
C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	20154972	DJTLYAVJQRKFJR-BXUZGUMPSA-N	246.354	2.506	10	40	BFCB	
CN[C@@H](C)c1ccc(N2CCCC2)c(F)c1	20550879	NVKWMQLRKWJIGI-JTQLQIEISA-N	222.307	2.706	10	40	BFCB	
Nc1sccc1C(=O)c1c(F)cccc1F	82305008	DNNZJGMMNSECTQ-UHFFFAOYSA-N	239.246	2.840	10	40	BFCB	
COc1ccc(N2[C@H](C)CC[C@H]2C)c(N)c1	8732782	JBSKFSZPSJOLHU-NXEZZACHSA-N	220.316	2.655	10	40	BFCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](C(=O)O)N2	4854863	AUAYMJLUZNBPQT-UHIISALHSA-N	243.306	2.842	10	40	BFCB	
COc1ccccc1C(=O)Nc1ccc(N)cc1	7467992	DWHPMVSHFXDMFN-UHFFFAOYSA-N	242.278	2.530	10	40	BFCB	
COc1ccc(N2[C@@H](C)CC[C@@H]2C)cc1N	8732785	QWZXSYRWDWUGGR-UWVGGRQHSA-N	220.316	2.655	10	40	BFCB	
Nc1ccc(Nc2ccc(F)cc2)nc1	19951115	LQDNOOMXRYMHQH-UHFFFAOYSA-N	203.220	2.547	10	40	BFCB	
Nc1ccc(NC(=O)/C=C/c2ccccc2)cc1	20327295	MGYVNHNTBRLDJH-IZZDOVSWSA-N	238.290	2.921	10	40	BFCB	
CCCc1ncc(Oc2ccc(N)cc2)cn1	96528194	KMAPKVYMZHPSFB-UHFFFAOYSA-N	229.283	2.804	10	40	BFCB	
COc1ccccc1COc1ccc(N)cc1	9239363	VSEFRFWWZQQLTL-UHFFFAOYSA-N	229.279	2.856	10	40	BFCB	
CN1C(=O)/C(=C/c2cccnc2)c2ccccc21	6949916	NOMFLOHGSFPOBN-UKTHLTGXSA-N	236.274	2.599	10	40	BFCB	
Nc1ccc(/N=N\c2ccccc2)c(N)n1	18847043	QPFYXYFORQJZEC-NXVVXOECSA-N	213.244	2.661	10	40	BFCB	in-vitro
Oc1ccccc1CNc1ccn(C(F)F)n1	256049993	CEKMPSIOSIJIBI-UHFFFAOYSA-N	239.225	2.596	10	40	BFCB	
CC/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	72232638	DZENCWDPSDMNRC-MDZDMXLPSA-N	224.176	2.607	10	40	BFCB	in-vitro
CN1CCN(/N=N/c2ccccc2Cl)CC1	1558231	NIOGQDDWKDCXFR-BUHFOSPRSA-N	238.722	2.586	10	40	BFCB	
CN1[C@H]2CCC[C@@H]1CN(/N=N\c1ccccc1)C2	8614660	HSCMOVCUZWPGDL-XQEWKFHHSA-N	244.342	2.854	10	40	BFCB	
C/C(O)=C(/C/N=N/C(N)=O)c1ccccc1	100366883	SINXAIWXRMHEMG-UBLABLSGSA-N	219.244	2.507	10	40	BFCB	
Cc1ccc(C)c2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21	13424801	UFDYDBRQKBXJOW-MJVIPROJSA-N	243.306	2.842	10	40	BFCB	biogenic,in-vitro
COc1cccc(-n2c(C)cc(CO)c2C)c1	8701687	FBEXBJDDYIBMHD-UHFFFAOYSA-N	231.295	2.595	10	40	BFCB	
Cc1cc(O)c(CN2CCOCC2)cc1C(C)C	12942822	CZGCYUAUMBNGSU-UHFFFAOYSA-N	249.354	2.656	10	40	BFCB	
CN(/N=N/c1ccc(C(N)=O)cc1)C(C)(C)C	18189208	RSUSQJVKCMVSIG-CCEZHUSRSA-N	234.303	2.515	10	40	BFCB	
CCN(CC)c1ccc(CNC(=O)C(C)C)cc1	193745367	YUXVTKYRCAXAJY-UHFFFAOYSA-N	248.370	2.805	10	40	BFCB	
Cc1cc(CC(=O)O)c(C)n1-c1ccc(F)cc1	19949504	MUUKTZUQKRDEPH-UHFFFAOYSA-N	247.269	2.860	10	40	BFCB	
CC(=O)C1(C)Nc2cccc3cccc(c23)N1	1609810	XPRJAWRKTNEWFT-UHFFFAOYSA-N	226.279	2.982	10	40	BFCB	
CN(C)/N=N\c1ccc2ncccc2c1[N+](=O)[O-]	104086141	NZUDKEGHRQNURV-YPKPFQOOSA-N	245.242	2.703	10	40	BFCB	
[N-]=[N+]=NC[C@@H]1Cc2cccc(Cl)c2O1	218735745	VISCHSCTEBELPO-ZETCQYMHSA-N	209.636	2.954	10	40	BFCB	
Nc1ccc(N2CCC(n3cccc3)CC2)cc1	5323849	XOSYLMNRUDEJQH-UHFFFAOYSA-N	241.338	2.912	10	40	BFCB	
[N-]=[N+]=NCC(=O)Nc1cccc(Cl)c1	100021975	NOXXOUTZJXGKPK-UHFFFAOYSA-N	210.624	2.589	10	40	BFCB	in-vitro
CCN(CC)c1ccc(CNC(=O)C2CC2)cc1	79390070	BFQYETNMXPHFCX-UHFFFAOYSA-N	246.354	2.559	10	40	BFCB	
c1cc2c(cc1CN[C@H]1CCCSC1)CCO2	98018522	LSKGSBCOROOVRB-ZDUSSCGKSA-N	249.379	2.607	10	40	BFCB	
Cc1ccc2c(c1C)N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21	273256	UORZCPZFZNBVDZ-MISXGVKJSA-N	243.306	2.842	10	40	BFCB	
O=C1c2ccccc2-c2nc3ncccc3cc21	13207855	QUQXAQWWCFXHMJ-UHFFFAOYSA-N	232.242	2.841	10	40	BFCB	
Cc1ccccc1-n1c(C)cc(CN)c1C	11851001	PKWWUWQXXHRPKM-UHFFFAOYSA-N	214.312	2.861	10	40	BFCB	
NC(=O)/N=N/c1ccc(Br)cc1	12495910	PZRILGSNKNWAEX-ZHACJKMWSA-N	228.049	2.612	10	40	BFCB	
NC(=O)c1ccccc1/N=N/Nc1ccccc1	17105386	MGOSUKGAJKIVHS-UHFFFAOYSA-N	240.266	2.896	10	40	BFCB	
CCNc1cc(Nc2ccc(N)cc2)nc(C)n1	217511763	OSUUSBQMUKBZPI-UHFFFAOYSA-N	243.314	2.543	10	40	BFCB	
Cc1cn(-c2ccc(N)cc2)nc1C(F)(F)F	575441622	LYDUXJGEVWYSAO-UHFFFAOYSA-N	241.216	2.782	10	40	BFCB	
Nc1ccc(Oc2ccc3nc[nH]c3c2)cc1	80443121	DNELCUCKVLCPIV-UHFFFAOYSA-N	225.251	2.937	10	40	BFCB	in-vitro
Cc1cccc(CN2CCC[C@H](C)C2)c1O	15442138	LVWSTUDMXQPWFN-NSHDSACASA-N	219.328	2.933	10	40	BFCB	
CC(C)OC(=O)/N=N\C(=O)OC(C)C	96300331	VVWRJUBEIPHGQF-KTKRTIGZSA-N	202.210	2.529	10	40	BFCB	
Cc1ccc(OC(=O)Cc2ccc(N)cc2)cc1	221909944	WDJKCBMXPOLKQH-UHFFFAOYSA-N	241.290	2.725	10	40	BFCB	
Cc1cccc(CN2CCC[C@@H](C)C2)c1O	15442136	LVWSTUDMXQPWFN-LLVKDONJSA-N	219.328	2.933	10	40	BFCB	
O=C(O)c1ccc(NCc2ccccc2O)cc1	203150	QHJPVLRQHAQHFR-UHFFFAOYSA-N	243.262	2.703	10	40	BFCB	
COc1cccc(CN2CCCC[C@@H]2C)c1O	131876039	OLVIOVDBKAUVJS-NSHDSACASA-N	235.327	2.775	10	40	BFCB	
Cc1cc(CN)c(C)n1-c1ccc(F)cc1	11851013	KKENKFHPJRDRLB-UHFFFAOYSA-N	218.275	2.692	10	40	BFCB	
CCc1nc(-c2ccc(O)c(O)c2)cs1	65562405	SSBPKFMQUGNGFX-UHFFFAOYSA-N	221.281	2.784	10	40	BFCB	
[N-]=[N+]=NCC(=O)c1ccc(Br)cc1	107339247	VTHHOAOWUXSGND-UHFFFAOYSA-N	240.060	2.942	10	40	BFCB	
Cc1cccc(CN2C[C@H](CN=[N+]=[N-])CC2=O)c1	1889007126	WJTLBEZSHMTOJT-LBPRGKRZSA-N	244.298	2.654	10	40	BFCB	
[N-]=[N+]=C1C(=O)c2ccccc2-c2ccccc21	5742827	GEOQDCBHAVUVST-UHFFFAOYSA-N	220.231	2.569	10	40	BFCB	
COc1cc2c(cc1CN)[C@H](C)CC(C)(C)N2C	223781481	VPSVOCHYXXWFJD-SNVBAGLBSA-N	248.370	2.876	10	40	BFCB	
Cc1cc(O)ccc1/N=N/c1nc[nH]c1[N+](=O)[O-]	4817935	DZUXBQZIQBUBHM-BUHFOSPRSA-N	247.214	2.747	10	40	BFCB	
CC1CCC(=C2SC(=S)NC2=O)CC1	5964715	KDZUBSQYNGQYJT-UHFFFAOYSA-N	227.354	2.599	10	40	BFCB	
Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](C(=O)O)N2	179768	QYUJXIHOGIEIGB-OPQQBVKSSA-N	229.279	2.533	10	40	BFCB	
O=C1C(=O)[C@H](c2ccccc2)Oc2ccccc21	3590988	YTAQZPGBTPDBPW-HNNXBMFYSA-N	238.242	2.572	10	40	BFCB	
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1	72216805	QSIDWRXFNHFFIV-CQSZACIVSA-N	241.338	2.914	10	40	BFCB	
Cc1cc(C(=O)O)c(C)n1-c1ccccc1F	12505736	AZLZPSZPXDJCDU-UHFFFAOYSA-N	233.242	2.931	10	40	BFCB	
Oc1ccccc1[C@@H]1C[C@H](c2ccccc2)NN1	96306164	NMQXZYLLZXBBHB-KGLIPLIRSA-N	240.306	2.673	10	40	BFCB	
O=C1c2cscc2C(=O)c2cscc21	1734683	YCQHVKQGWLAQMR-UHFFFAOYSA-N	220.274	2.585	10	40	BFCB	
Cc1ccccc1NC(=O)c1ccsc1N	16971453	MTELDPCYBRPNBH-UHFFFAOYSA-N	232.308	2.891	10	40	BFCB	
C[C@H]1C[C@H](C)CN(c2ccc(N)cc2)C1	4678724	OASMPJKZOCFNCC-QWRGUYRKSA-N	204.317	2.751	10	40	BFCB	
O=c1[nH]n(/N=N/c2ccccc2)c2ccccc12	4828068	GMAVKWXBUMBMOF-JQIJEIRASA-N	238.250	2.877	10	40	BFCB	
Nc1ncc(/N=N/c2ccc(Cl)cc2)c(O)n1	104071237	CRDPTOQANBTBRT-FOCLMDBBSA-N	249.661	2.833	10	40	BFCB	
Oc1ccccc1CNc1ccc2[nH]ncc2c1	1429362	UDJHUSNKHZRJHU-UHFFFAOYSA-N	239.278	2.881	10	40	BFCB	
CNCc1cc(C)n(-c2ccccc2OC)c1C	61714971	UHCOESCUPJMSEK-UHFFFAOYSA-N	244.338	2.822	10	40	BFCB	
Nc1ccc(COCc2ccccc2)cc1	21997987	FRISHJFEBJVKFQ-UHFFFAOYSA-N	213.280	2.986	10	40	BFCB	in-vitro
Cc1cc(C)c2c(c1O)[C@@H](N)C(C)(C)C2	4638063	SILOGAPAAPBBCQ-GFCCVEGCSA-N	205.301	2.591	10	40	BFCB	
Cc1c[nH]c(/N=N/c2ccccc2C(=O)O)n1	5387207	NGVXPBBRJFZPGM-CCEZHUSRSA-N	230.227	2.832	10	40	BFCB	
Cc1cc(CN)c(C)n1-c1ccccc1F	11851012	MYZDCRWBMLYTFV-UHFFFAOYSA-N	218.275	2.692	10	40	BFCB	
C[C@H]1C[C@@H](C)CN(Cc2ccc(N)cc2)C1	22163930	MDOWXVRXHYVFNN-TXEJJXNPSA-N	218.344	2.747	10	40	BFCB	
CN(C)Cc1ccc2ccccc2c1O	1567979	JMXIFHGCDGVRBV-UHFFFAOYSA-N	201.269	2.607	10	40	BFCB	
Nc1ccc(Oc2cccc(C=O)c2)cc1	81144709	LRMHSVQLZLZFTR-UHFFFAOYSA-N	213.236	2.874	10	40	BFCB	
CC(=O)c1ccc(/N=N/N2CCCC2)cc1	1651064	KGEHANXMOJGVLM-BUHFOSPRSA-N	217.272	2.984	10	40	BFCB	
CCN(CC)/N=N/c1cccc(NC(C)=O)c1	13111946	VIYMKBVVZGUMIN-CCEZHUSRSA-N	234.303	2.986	10	40	BFCB	
Nc1ccc(CCC(=O)NC2CCCCC2)cc1	20186518	YGOLESCDMYOWLP-UHFFFAOYSA-N	246.354	2.650	10	40	BFCB	
Nc1ccc(CCC(=O)Nc2ccccc2)cc1	20186688	RYVMBBPRVKIKAY-UHFFFAOYSA-N	240.306	2.840	10	40	BFCB	
CNCc1cc(C)n(-c2cccc(OC)c2)c1C	223674094	SBQXUVBKPWIFOH-UHFFFAOYSA-N	244.338	2.822	10	40	BFCB	
C[C@H]1C[C@H](C)CN(Cc2ccc(N)cc2)C1	22163936	MDOWXVRXHYVFNN-RYUDHWBXSA-N	218.344	2.747	10	40	BFCB	
COc1cc(C(C)(C)C)cc(CN(C)C)c1O	1592120	OIZVVWFMMXNOED-UHFFFAOYSA-N	237.343	2.760	10	40	BFCB	
CN(C)c1ccc(CNC(C)(C)C)cc1	5383665	HRGZUSGLGPAICX-UHFFFAOYSA-N	206.333	2.641	10	40	BFCB	
Nc1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	1556469	XTAVQWSBKJAURD-UHFFFAOYSA-N	228.251	2.768	10	40	BFCB	
CNCc1cc(C)n(-c2ccc(OC)cc2)c1C	66442657	MKWACJCXQPTECA-UHFFFAOYSA-N	244.338	2.822	10	40	BFCB	in-vitro
[N-]=[N+]=NS(=O)(=O)CCc1ccc(Cl)cc1	5181340	WGQJIKPPEBLLKH-UHFFFAOYSA-N	245.691	2.523	10	40	BFCB	
CC[C@@H](C)NCc1ccc(N(C)C)cc1	5823175	LFZQUASVCQIKLJ-LLVKDONJSA-N	206.333	2.641	10	40	BFCB	
CCOC(=O)[C@@H](CC)Sc1nccs1	82760874	NYYZTNVFSDJPFG-SSDOTTSWSA-N	231.342	2.577	10	40	BFCB	
COc1ccc(N2[C@H](C)CC[C@H]2C)cc1C(=O)O	8703819	IOJQHOVVGIQZTH-NXEZZACHSA-N	249.310	2.771	10	40	BFCB	
CCOc1ccccc1-n1c(C)cc(CO)c1C	223710400	ZTXFDPDLIGHULZ-UHFFFAOYSA-N	245.322	2.985	10	40	BFCB	
CCc1ccc(/N=N/c2c(N)n[nH]c2N)cc1	101637769	VGQGKGZUPHDZDD-CCEZHUSRSA-N	230.275	2.552	10	40	BFCB	
C[C@@H]1CC(C)(C)N(C)c2ccc(CN)cc21	223779432	AYWRXTAGZSLVJF-SNVBAGLBSA-N	218.344	2.867	10	40	BFCB	
Cc1cc2c(cc1[N+](=O)[O-])-c1ncccc1C2=O	64441	YEKZYVUBILGZKY-UHFFFAOYSA-N	240.218	2.510	10	40	BFCB	
Nc1ccc(CSc2ccccn2)cc1	19846375	GMHSUJQBWXRQHK-UHFFFAOYSA-N	216.309	2.956	10	40	BFCB	in-vitro
Nc1ccc(Nc2nc3ccccc3[nH]2)cc1	8467127	QTKVVJXYEASQLY-UHFFFAOYSA-N	224.267	2.889	10	40	BFCB	
CC(C)(C)OC(=O)NCCCCCN=[N+]=[N-]	36405568	FQXCACHANHJEQK-UHFFFAOYSA-N	228.296	2.992	10	40	BFCB	
Cc1cc(C)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](C(=O)O)N2	4854865	AUAYMJLUZNBPQT-JTNHKYCSSA-N	243.306	2.842	10	40	BFCB	
O=C(O)c1sc2c(Cl)cccc2c1O	82295672	HBPQOGJGBCVXPV-UHFFFAOYSA-N	228.656	2.959	10	40	BFCB	
CN1[C@H]2CC[C@H](Cc3ccc(N)cc3)[C@H]1CC2	242390250	AGNWPTFINUHALX-VHDGCEQUSA-N	230.355	2.684	10	40	BFCB	
CC1=CC(C)(C)N(C)c2ccc(CN)cc21	223795184	MNQHVPLNMDPBSY-UHFFFAOYSA-N	216.328	2.777	10	40	BFCB	
CC(C)(C)OC(=O)CCc1ccc(N)cc1	34117026	HEWAXFMIHBVWPU-UHFFFAOYSA-N	221.300	2.543	10	40	BFCB	
NCc1ccccc1Oc1ccc(N)cc1	238687698	MNUUKYUJZQWYMU-UHFFFAOYSA-N	214.268	2.520	10	40	BFCB	
O=C1c2ccccc2C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]12	17749862	MVIKHPHEDJNFFN-KGOITJQVSA-N	224.259	2.504	10	40	BFCB	
Cc1ccccc1OC(=O)Cc1ccc(N)cc1	225395484	INVNIWINQSYCDK-UHFFFAOYSA-N	241.290	2.725	10	40	BFCB	
CN(C)c1ccc(/C=C/c2cnccn2)cc1	12410418	XSDKZBVEJBPEMZ-ZZXKWVIFSA-N	225.295	2.713	10	40	BFCB	
COC(=O)c1cccc(Oc2ccc(N)cc2)c1	14630137	VCCARADJAKGCFL-UHFFFAOYSA-N	243.262	2.848	10	40	BFCB	
Cc1cc(CC(=O)O)c(C)n1-c1ccccc1	19949470	WDIBEOKYTBZMKS-UHFFFAOYSA-N	229.279	2.721	10	40	BFCB	
CCOc1ccc(N(C)CCCCCO)cc1	96417907	NDNIHKFTANYIML-UHFFFAOYSA-N	237.343	2.684	10	40	BFCB	
Oc1cc(O)c2c(Cl)csc2c1O	228943371	ICXQTGVKAFBRPJ-UHFFFAOYSA-N	216.645	2.672	10	40	BFCB	
O=[N+]([O-])/C=C\c1cc2c3c(c1)CCCN3CCC2	5160532	FPOXYWGMGFOREI-YVMONPNESA-N	244.294	2.633	10	40	BFCB	
COc1cccc(/N=N\N2CCCC2)c1	104317299	FTAKNTQJSQWQGF-SEYXRHQNSA-N	205.261	2.790	10	40	BFCB	
O=C(O)[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@@H]12	4134327	XQVYWCCDLAHPNJ-KBVBSXBZSA-N	249.697	2.878	10	40	BFCB	
CCOC(=O)CCCC[C@H](C)/N=N\C	104103795	OXMHZKLTZKFIIF-ASGQQMQCSA-N	200.282	2.580	10	40	BFCB	
CCCCCC(=O)c1cc(O)c(O)c(O)c1	1676261	IFYDUMLMLPWDRV-UHFFFAOYSA-N	224.256	2.566	10	40	BFCB	in-vitro
CC(C)(C)C(=O)NCc1ccc(Cl)cc1O	82306921	XKYOJPQOTYXQSN-UHFFFAOYSA-N	241.718	2.708	10	40	BFCB	
CCN(CC)CCSc1nccs1	97058018	SBADKFIUSYYNOB-UHFFFAOYSA-N	216.375	2.577	10	40	BFCB	
CC(=O)c1c(C)cc2n1CCn1c(C)ccc1-2	517881	CAGZAEKUXUKJAP-UHFFFAOYSA-N	228.295	2.790	10	40	BFCB	biogenic
CC1=NN(c2ccccc2)C(=S)/C1=C\N(C)C	104781471	XBPUIJJFMMAFGA-XFXZXTDPSA-N	245.351	2.655	10	40	BFCB	
COc1ccc(N2[C@H](C)CC[C@H]2C)cc1N	8732786	QWZXSYRWDWUGGR-NXEZZACHSA-N	220.316	2.655	10	40	BFCB	
CCOC(=O)/C(=C/O)c1c[nH]c2ccccc12	104177960	WHGAZZVRRBEUPM-DHZHZOJOSA-N	231.251	2.630	10	40	BFCB	
COc1cccc(-n2c(C)cc(CN)c2C)c1	11851025	QSFBBUOHGSPUSL-UHFFFAOYSA-N	230.311	2.561	10	40	BFCB	
CN(CO)/N=N/c1ccc(C(F)(F)F)cc1	17967877	QIRZYHHPKMMCDB-BUHFOSPRSA-N	233.193	2.586	10	40	BFCB	
CC(C)(C)OC(=O)N1CC[C@@H](CN=[N+]=[N-])C1	145253482	AQMRWLAIZUYEIP-QMMMGPOBSA-N	226.280	2.554	10	40	BFCB	in-vitro
COc1ccc(Cc2ccc(N)cc2)cc1	1722740	UUUFBORSVLHBMW-UHFFFAOYSA-N	213.280	2.868	10	40	BFCB	
O=C(c1sc2ccccc2c1O)N1CCCC1	14187878	LYTXUMXVWPSMDJ-UHFFFAOYSA-N	247.319	2.843	10	40	BFCB	
[N-]=[N+]=NCC(=O)Nc1ccc(Cl)cc1	100021918	SRUMMXUAVORIIY-UHFFFAOYSA-N	210.624	2.589	10	40	BFCB	
COc1ccc(Cl)cc1NC(=O)CN=[N+]=[N-]	100021953	OWFGRVYJVALRJB-UHFFFAOYSA-N	240.650	2.597	10	40	BFCB	in-vitro
CCOc1cccc(CN[C@@H](C)CC)c1O	19882173	PXJYGMFCTYVNMY-JTQLQIEISA-N	223.316	2.679	10	40	BFCB	
Nc1ccc(Cc2nc3cc(N)ccc3o2)cc1	62719909	MQKKUSMIUVJRTD-UHFFFAOYSA-N	239.278	2.583	10	40	BFCB	
Nc1ccc(CCc2nc3ccccc3[nH]2)cc1	241733	WRQCBLDRUKMAOQ-UHFFFAOYSA-N	237.306	2.930	10	40	BFCB	
CCC[C@@H](C)C(=O)Nc1ccc(N)cc1	8703422	KEGGEXNZYRHHPU-SECBINFHSA-N	206.289	2.644	10	40	BFCB	
Oc1ccccc1[C@H]1C[C@@H](c2ccccc2)NN1	96306161	NMQXZYLLZXBBHB-UONOGXRCSA-N	240.306	2.673	10	40	BFCB	
CN1C(=O)/C(=C/c2cccn2C)c2ccccc21	4270707	BWGJZOHPFMBFPA-JLHYYAGUSA-N	238.290	2.542	10	40	BFCB	
CN(C)/N=N/c1ccc2ncccc2c1[N+](=O)[O-]	18042783	NZUDKEGHRQNURV-BUHFOSPRSA-N	245.242	2.703	10	40	BFCB	
CN1CCN(/N=N\c2ccccc2Cl)CC1	104189658	NIOGQDDWKDCXFR-YPKPFQOOSA-N	238.722	2.586	10	40	BFCB	
CCn1nc(C)cc1NCc1ccccc1O	256049871	BUUGRYLIRSJJDW-UHFFFAOYSA-N	231.299	2.529	10	40	BFCB	
Cc1ccccc1C(=O)Nc1ccc(N)cc1	306525	FIIPAURDZWJJIB-UHFFFAOYSA-N	226.279	2.830	10	40	BFCB	in-vitro
O=[N+]([O-])/C=C/c1cc2c3c(c1)CCCN3CCC2	16981522	FPOXYWGMGFOREI-VMPITWQZSA-N	244.294	2.633	10	40	BFCB	
CSC(=S)NCc1ccc(F)cc1	4105402	SUKSPZUQUKQLRX-UHFFFAOYSA-N	215.318	2.563	10	40	BFCB	
COc1ccc(C(=O)O)cc1-n1c(C)ccc1C	82657322	XDAHKNCENUBZIM-UHFFFAOYSA-N	245.278	2.801	10	40	BFCB	in-vitro
CCN(CC)c1ccc(/C=C2\CCOC2=O)cc1	1747680	SDNVXKMFGADSHP-ACCUITESSA-N	245.322	2.863	10	40	BFCB	
CC1(C)[C@]2(C)CC[C@@]1(c1ccccc1)C(=O)C2=O	85398831	RYYIJDCHFWBGBT-HZPDHXFCSA-N	242.318	2.903	10	40	BFCB	
Nc1ccc(NC(=O)c2ccc(F)cc2)cc1	16401073	GXGWMNAUQNALTP-UHFFFAOYSA-N	230.242	2.660	10	40	BFCB	
CC[C@@H](NC1CCC(O)CC1)c1ccccc1O	19918882	YQIFGXBNIOBOQJ-ORHYLEIMSA-N	249.354	2.736	10	40	BFCB	
C[C@@]12CCCCC1=N[C@H](c1ccccc1O)N2O	20436840	UWCCUTIEUFYZSD-UONOGXRCSA-N	246.310	2.869	10	40	BFCB	
CN(C)Cc1cc(C(C)(C)C)ccc1O	1679616	AOLMGCHTFOOEDQ-UHFFFAOYSA-N	207.317	2.751	10	40	BFCB	
Cc1ccc(NC(=O)CN=[N+]=[N-])c(Cl)c1	100035897	FPRUOFMKTUNVDB-UHFFFAOYSA-N	224.651	2.897	10	40	BFCB	
COc1ccc(N2C[C@@H]2c2ccncc2)cc1	4053738	SENONULVWRXSKV-IURRXHLWSA-N	226.279	2.652	10	40	BFCB	
C[C@H]1C[C@@H](C)CN(CCOc2ccc(N)cc2)C1	8703255	UQBCWNFSFGRHHS-BETUJISGSA-N	248.370	2.626	10	40	BFCB	
O=C1c2ccccc2-c2[nH]c(=O)c3ccccc3c21	28822014	DGSVRLKKYZDLNB-UHFFFAOYSA-N	247.253	2.740	10	40	BFCB	biogenic
O=C(C(=O)c1ccsc1)c1ccccc1	1857788562	IVQIVGIXJNMZMZ-UHFFFAOYSA-N	216.261	2.814	10	40	BFCB	
Cc1ncsc1CCOc1ccc(N)cc1	19845852	GEDFJMOXJAGKQH-UHFFFAOYSA-N	234.324	2.655	10	40	BFCB	
Nc1ccc(Oc2cc(F)cc(F)c2)nc1	54931949	HIIIHDCELVOHRX-UHFFFAOYSA-N	222.194	2.734	10	40	BFCB	in-vitro
CC(=O)c1ccccc1/N=N/N1CCCC1	67341034	NZBSEUPLBWJVFT-BUHFOSPRSA-N	217.272	2.984	10	40	BFCB	
CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1	493763	ZNBFFDGZGHFAOU-ONEGZZNKSA-N	240.306	2.556	10	40	BFCB	
CCCCN(C)Cc1cccc(OC)c1O	4680136	GXTGMBOFIIYYBP-UHFFFAOYSA-N	223.316	2.633	10	40	BFCB	
CN(C)c1ccc(/C=C\c2cnccn2)cc1	4522403	XSDKZBVEJBPEMZ-UTCJRWHESA-N	225.295	2.713	10	40	BFCB	
COc1cc(N)ccc1-n1c(C)ccc1C	266942	JUZSJZVHZLTKOW-UHFFFAOYSA-N	216.284	2.685	10	40	BFCB	in-vitro
CCN1C(=O)/C(=C/c2ccoc2)SC1=S	972898	NGNPRZGNWVVFMD-YVMONPNESA-N	239.321	2.501	10	40	BFCB	
Oc1ccc(Cl)cc1CNCc1ccccn1	4677106	VHMYBSHHJAHTSQ-UHFFFAOYSA-N	248.713	2.730	10	40	BFCB	
C/C(=C/c1cc[n+](C)cc1)Nc1ccc(C)cn1	5931020	WZMPYLSWSAKXHC-UHFFFAOYSA-O	240.330	2.687	10	40	BFCB	
CN(c1ccc(N)cc1)c1ccc(N)cc1	10372748	LBNFPUAJWZYIOQ-UHFFFAOYSA-N	213.284	2.619	10	40	BFCB	
Cc1cccc(/C=C2\SC(=S)N(C)C2=O)c1	12403097	JGWDVGVIKVARIF-YFHOEESVSA-N	249.360	2.826	10	40	BFCB	
CCCCN1C(=O)C(C)=C(C)[C@H]1N=[N+]=[N-]	8983875	CALLNCFVEBTNOK-VIFPVBQESA-N	208.265	2.602	10	40	BFCB	
C[n+]1ccc(/C=C/Nc2ccccc2)cc1	17429445	PASZDPNNOLIOPV-UHFFFAOYSA-O	211.288	2.594	10	40	BFCB	
CCOC(=O)/N=N/c1ccc([N+](=O)[O-])cc1	138164919	SWICEYZTMOQRLG-ZHACJKMWSA-N	223.188	2.835	10	40	BFCB	
C[C@@H]1CCCCN1Cc1ccc(N)cc1	818936	AJNSSUGFLMSCJD-LLVKDONJSA-N	204.317	2.643	10	40	BFCB	in-vitro
CCN(CC)c1ccc(/C=C2/CCOC2=O)cc1	16968804	SDNVXKMFGADSHP-QBFSEMIESA-N	245.322	2.863	10	40	BFCB	
Nc1ccc(Oc2ccccc2F)nc1	93343	YAFQPQWPYSVBIY-UHFFFAOYSA-N	204.204	2.595	10	40	BFCB	in-vitro
Cc1ccc(-n2c(C)cc(C=O)c2C)nc1	4384383	FEMPWCOWGBYEPQ-UHFFFAOYSA-N	214.268	2.610	10	40	BFCB	
CC(=O)c1coc2c1C(=O)C(=O)c1ccccc1-2	3124676	VUDFPPQZMCKBHF-UHFFFAOYSA-N	240.214	2.528	10	40	BFCB	
COc1ccc2c(C)c3cccc[n+]3cc2c1	1596110	JYDPQGXERXCMEN-UHFFFAOYSA-N	224.283	2.896	10	40	BFCB	
CN1C(=O)C(=C2CCCCC2)SC1=S	1664684	FFUCBIYMNUCRTE-UHFFFAOYSA-N	227.354	2.695	10	40	BFCB	
CN(C)c1ccc(/C=C/c2cccc[n+]2[O-])cc1	4794404	NDTJJMTVAYNUCL-DHZHZOJOSA-N	240.306	2.556	10	40	BFCB	
O=C(Cc1ccccc1)C(=O)Cc1ccccc1	1602735	XKBQRCUXXCGCMC-UHFFFAOYSA-N	238.286	2.610	10	40	BFCB	biogenic
O=C1c2cscc2C(=O)c2sccc21	1734686	BZBRPSXQMGGREP-UHFFFAOYSA-N	220.274	2.585	10	40	BFCB	
Nc1ccc(Oc2ccc(CO)cc2)cc1	40710847	QSCGURKEQTXOMK-UHFFFAOYSA-N	215.252	2.553	10	40	BFCB	in-vitro
COC(=O)c1cccc(-n2c(C)ccc2C)c1	8413418	KMJHRWOCLZFHHB-UHFFFAOYSA-N	229.279	2.881	10	40	BFCB	
CNCc1cc(C)n(-c2ccc(F)cc2)c1C	223669558	XZXCGCDEKOHDDS-UHFFFAOYSA-N	232.302	2.953	10	40	BFCB	
COc1ccccc1-n1c(C)cc(CN)c1C	11851024	VRKKGMBJBGHIML-UHFFFAOYSA-N	230.311	2.561	10	40	BFCB	
Cc1ccc(N2C(=O)CSC2=S)c(C)c1	2284970	LXGLQDSZOCUWKV-UHFFFAOYSA-N	237.349	2.668	10	40	BFCB	
CCOc1ccc(/N=N/c2c(N)n[nH]c2O)cc1	101472159	HDAXRXYMBWSCML-BUHFOSPRSA-N	247.258	2.512	10	40	BFCB	
Cc1cc(C=O)c(C)n1-c1ccccc1[N+](=O)[O-]	8733460	XBOYQUYWCCQBHA-UHFFFAOYSA-N	244.250	2.815	10	40	BFCB	
Cc1cccc(Oc2ccc(N)cn2)c1	8701103	UWUDDMSXXVKRBM-UHFFFAOYSA-N	200.241	2.765	10	40	BFCB	
CCN(CC)c1ccc(/C=C\[N+](=O)[O-])cc1	32236541	AATYCRRVMKWSAC-KTKRTIGZSA-N	220.272	2.780	10	40	BFCB	
Nc1sccc1C(=O)c1cccs1	44672217	LEECHCYDZUFHRO-UHFFFAOYSA-N	209.295	2.623	10	40	BFCB	
Cc1ccc(C)n1Nc1ccc(N)cc1	8702895	XMDVBNPDZNQZGO-UHFFFAOYSA-N	201.273	2.562	10	40	BFCB	
Cc1ccc2n1-c1ccccc1CN1CCO[C@H]21	260746670	IMYNESFLESAZQQ-OAHLLOKOSA-N	240.306	2.630	10	40	BFCB	
Cc1ccc(C)c2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@H]21	273258	UFDYDBRQKBXJOW-MISXGVKJSA-N	243.306	2.842	10	40	BFCB	
COc1ccccc1/N=N/c1c(C)n[nH]c1O	100101504	NRCCLBAIQUIZDX-BUHFOSPRSA-N	232.243	2.848	10	40	BFCB	
COC(=O)c1ccc(/N=N/N2CCCCC2)cc1	4725846	OIPWDACWYKEMBI-CCEZHUSRSA-N	247.298	2.958	10	40	BFCB	
Cc1ccc2c(c1C)N[C@H](C(=O)O)[C@H]1CC=C[C@H]21	2381318	UORZCPZFZNBVDZ-MJVIPROJSA-N	243.306	2.842	10	40	BFCB	biogenic
O=C(NCc1ccccc1O)C1CCCCC1	58264227	JCHCNOJRSGUNQP-UHFFFAOYSA-N	233.311	2.589	10	40	BFCB	
[N-]=[N+]=NCC(=O)c1ccccc1Br	107339251	GGYLZRYPGBFIGG-UHFFFAOYSA-N	240.060	2.942	10	40	BFCB	
CCOc1ccc2c(c1)C[C@H](CN=[N+]=[N-])O2	218735413	XXMWZDFETPBGLN-SNVBAGLBSA-N	219.244	2.699	10	40	BFCB	
Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)cc1C	40161117	CRRXWCIQLGBUMC-STQMWFEESA-N	249.354	2.618	10	40	BFCB	
CC(C)(/N=N\c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	100171776	LOLUQQGEHJFUJV-KHPPLWFESA-N	238.203	2.691	10	40	BFCB	
Cc1ccc(C)c2c1N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21	13424802	UFDYDBRQKBXJOW-GYSYKLTISA-N	243.306	2.842	10	40	BFCB	biogenic,in-vitro
Cc1ccc(/N=N/N2CCC[C@@H]2C(=O)O)cc1	25173131	KQBLRGKTFXLQEW-CLMBFONXSA-N	233.271	2.543	10	40	BFCB	
CC(C)(C)c1ccc(O)c(C[N+](C)(C)C)c1	1680945	KSWNLTPODVJZLD-UHFFFAOYSA-O	222.352	2.896	10	40	BFCB	in-vitro
Cc1c(Cl)cc(C(C)C)c(O)c1CN	29221850	WYVMCVBOUURDAC-UHFFFAOYSA-N	213.708	2.936	10	40	BFCB	
CC1(C)CCN(CCc2ccc(N)cc2)C1	87232690	SSHSECGKQSYKQI-UHFFFAOYSA-N	218.344	2.543	10	40	BFCB	
CCOC(=O)/C(=C\O)c1c[nH]c2ccccc12	104177957	WHGAZZVRRBEUPM-FLIBITNWSA-N	231.251	2.630	10	40	BFCB	
Cc1cc(N)ccc1-n1c(C)ccc1C	856715	LAXJDTOMMNRYAE-UHFFFAOYSA-N	200.285	2.985	10	40	BFCB	in-vitro
CC(C)(C)C(=O)[C@@H]1CC(=O)c2ccccc2C1=O	102978812	COUKTGFAMVFIAX-LLVKDONJSA-N	244.290	2.687	10	40	BFCB	
Cc1cn2c(c1C)-c1ccc(C)n1CC2	276928	YLSVQUYVYDTZGF-UHFFFAOYSA-N	200.285	2.895	10	40	BFCB	biogenic
Cc1cc(C)nc(/N=N/c2nc(C)cc(C)n2)n1	18063327	TXDVNXCNERNMTP-ISLYRVAYSA-N	242.286	2.916	10	40	BFCB	
Cc1cccc(-n2c(C)cc(CO)c2C)c1	32013074	LZHKXALGKVKDMR-UHFFFAOYSA-N	215.296	2.895	10	40	BFCB	
Cn1cccc1/C=C1/C(=O)Nc2ccccc21	4704933	WSUCIBGSTGQSRL-FMIVXFBMSA-N	224.263	2.518	10	40	BFCB	
O=C(O)[C@@H]1Nc2ccc(Cl)cc2[C@@H]2C=CC[C@H]12	4134325	XQVYWCCDLAHPNJ-VDDIYKPWSA-N	249.697	2.878	10	40	BFCB	
CCO/C(C)=C1\C(=O)N(c2ccccc2)N=C1C	9482453	VRDGRMDXQILLDO-QBFSEMIESA-N	244.294	2.720	10	40	BFCB	
Cc1cccc(C)c1NC(=O)CN=[N+]=[N-]	100021967	VBURYIXJGVQHAY-UHFFFAOYSA-N	204.233	2.552	10	40	BFCB	in-vitro
Nc1ccc(Cc2ccc(C(=O)O)cc2)cc1	1750451	KACYBLNWLGHEGQ-UHFFFAOYSA-N	227.263	2.558	10	40	BFCB	
Oc1ccc(-c2csc(S)n2)cc1O	12249805	BPTBJXATVLUIIG-UHFFFAOYSA-N	225.294	2.510	10	40	BFCB	
Nc1ccc(N2CCc3sccc3C2)cc1	22143114	ZRAXQPNEXXVMQA-UHFFFAOYSA-N	230.336	2.893	10	40	BFCB	in-vitro
C[C@@H](c1ccccc1)N1C(=O)CSC1=S	1041671	KQSHNYSKESUNOZ-QMMMGPOBSA-N	237.349	2.608	10	40	BFCB	
Cc1ccc(C)n1-c1ccc([N+](=O)[O-])cc1O	408738530	LNMBQLKNTZQWGA-UHFFFAOYSA-N	232.239	2.708	10	40	BFCB	
Cc1ccc(C)n1-c1ccc2cn[nH]c2c1	4025516	LCYIHMQLJWZHFW-UHFFFAOYSA-N	211.268	2.970	10	40	BFCB	
CC1(C)CN=C(Nc2ccc(N)cc2)S1	2482476	POTPLDAHJMBBCP-UHFFFAOYSA-N	221.329	2.562	10	40	BFCB	
CN(CCOc1ccc(N)cc1)c1ccccc1	14630123	YAXQQMOLTHUHEX-UHFFFAOYSA-N	242.322	2.784	10	40	BFCB	
O=C1NC(=S)SC1=C1CCCCCC1	9331545	LBNZBMZVSDLBMK-UHFFFAOYSA-N	227.354	2.743	10	40	BFCB	
Cc1ccc2c(c1C)N[C@H](C(=O)O)[C@@H]1CC=C[C@@H]21	12467375	UORZCPZFZNBVDZ-GYSYKLTISA-N	243.306	2.842	10	40	BFCB	biogenic
C[C@H](N=[N+]=[N-])c1cn(-c2ccccc2)nn1	952989960	QORANJSXBICAAL-QMMMGPOBSA-N	214.232	2.639	10	40	BFCB	
Nc1ccc(CCN2CCCCCC2)cc1	4450192	OARSMQUCRTVKGP-UHFFFAOYSA-N	218.344	2.687	10	40	BFCB	
Nc1ccc(OCCC(F)(F)F)cc1	70212542	LZMGKADMEAHSDH-UHFFFAOYSA-N	205.179	2.600	10	40	BFCB	
[N-]=[N+]=NCC(=O)c1cccc(Br)c1	107339314	HOXWVWHSGYLUII-UHFFFAOYSA-N	240.060	2.942	10	40	BFCB	
CCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	299888310	DZENCWDPSDMNRC-UHFFFAOYSA-N	224.176	2.607	10	40	BFCB	
Cc1ccccc1CN1C[C@H](CN=[N+]=[N-])CC1=O	1889006674	LFWXFPZXIARNTM-NSHDSACASA-N	244.298	2.654	10	40	BFCB	
Oc1ccc(O)c(CNC2CCCCC2)c1	1679782	KJIQTKLDNAYACG-UHFFFAOYSA-N	221.300	2.520	10	40	BFCB	
Cc1ccc(C)c2c1N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21	4245153	UFDYDBRQKBXJOW-COPLHBTASA-N	243.306	2.842	10	40	BFCB	
CC1=NO[C@@H](c2ccccc2O)N(C)C1(C)C	19831265	FTFVBRGOXRXKPU-LBPRGKRZSA-N	234.299	2.507	10	40	BFCB	
CCCCN(C)/N=N\c1ccc(C(N)=O)cc1	104058996	DONQPAZURITJSU-PFONDFGASA-N	234.303	2.516	10	40	BFCB	
Cc1ccc(C)c2c1N[C@@H](C(=O)O)[C@@H]1CC=C[C@@H]21	4245154	UFDYDBRQKBXJOW-JTNHKYCSSA-N	243.306	2.842	10	40	BFCB	
CCN(CC)C(=O)/C=C/c1ccc(N(C)C)cc1	58314646	CDAPZFKTDUFOMS-FMIVXFBMSA-N	246.354	2.634	10	40	BFCB	
Cc1cc(CCN)c(C)n1-c1ccccc1	3888948	DWIMHBFTVNRUAY-UHFFFAOYSA-N	214.312	2.595	10	40	BFCB	
CN(c1ccc(CN)cc1)C1CCCCC1	19865418	AYVQVJAAHBBROI-UHFFFAOYSA-N	218.344	2.914	10	40	BFCB	in-vitro
Nc1ccc(NC(=O)c2cccc(F)c2)cc1	20327078	RHYMJCVNNLZTOC-UHFFFAOYSA-N	230.242	2.660	10	40	BFCB	
O=C(O)/C=C/c1sc2ccccc2c1O	228967665	LHMCWMULWOEACG-AATRIKPKSA-N	220.249	2.705	10	40	BFCB	
CC(=O)Nc1ccc(Cc2ccc(N)cc2)cc1	1701637	SQTDJPRWHARDHF-UHFFFAOYSA-N	240.306	2.818	10	40	BFCB	in-vitro
O=C1NC(=S)S/C1=C\C=C/c1ccccc1	5003576	FPSVMWLWFSURME-NIQHGUSQSA-N	247.344	2.732	10	40	BFCB	
Cc1nc2ccccc2n1-c1ccc(N)cc1	12357657	GVHJIUBZPSYZPV-UHFFFAOYSA-N	223.279	2.916	10	40	BFCB	
Nc1ccc(NC(=O)c2ccccc2F)cc1	19736661	DRQLMGGEDKYWTF-UHFFFAOYSA-N	230.242	2.660	10	40	BFCB	
COc1ccc(N2[C@@H](C)CC[C@H]2C)c(N)c1	17957890	JBSKFSZPSJOLHU-AOOOYVTPSA-N	220.316	2.655	10	40	BFCB	
CCOC(=O)[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12	58850543	WGMNYRPVAGCTAF-VHRBIJSZSA-N	243.306	2.704	10	40	BFCB	
COc1cc2c(cc1CN)C(C)=CC(C)(C)N2C	223796657	XCBZBCUTHOUHGD-UHFFFAOYSA-N	246.354	2.786	10	40	BFCB	
Cc1cc(OC(F)(F)F)cc(CN(C)C)c1O	2540350	BLMCSFXRMWCFIT-UHFFFAOYSA-N	249.232	2.661	10	40	BFCB	
O=[N+]([O-])/C=C/c1ccc(N2CCCC2)c(F)c1	558940	OWWJCOWRPZOEHI-VMPITWQZSA-N	236.246	2.673	10	40	BFCB	
CN1[C@@H]2CCC[C@@H]1CN(/N=N\c1ccccc1)C2	100380004	HSCMOVCUZWPGDL-PSVJWRSCSA-N	244.342	2.854	10	40	BFCB	
[N-]=[N+]=CC(=O)C(c1ccccc1)c1ccccc1	4729654	BQGNYAJDSVQYDX-UHFFFAOYSA-N	236.274	2.688	10	40	BFCB	
Cc1csc2c1C(=O)c1ccsc1C2=O	1635071	VCOYOLYOUCACDJ-UHFFFAOYSA-N	234.301	2.893	10	40	BFCB	
Nc1sccc1C(=O)Nc1ccc(F)cc1	16971865	ZTVFKNUTMRIMFI-UHFFFAOYSA-N	236.271	2.722	10	40	BFCB	
COC(=O)c1ccc(-n2c(C)ccc2C)cc1O	1406514	REGPOQDITWHACV-UHFFFAOYSA-N	245.278	2.586	10	40	BFCB	
Oc1ccc(/C=C/c2cc(O)c(O)c(O)c2)cc1	14505445	GRZOJEWQFCAKPF-OWOJBTEDSA-N	244.246	2.679	10	40	BFCB	
COc1ccc(N2CCC(C)CC2)c(N)c1	57363444	OMHIQZXHPZWZIU-UHFFFAOYSA-N	220.316	2.514	10	40	BFCB	
CCc1ccc2c(c1)C[C@H](CN=[N+]=[N-])O2	218735103	ZCECPVMBWCXOGO-SNVBAGLBSA-N	203.245	2.863	10	40	BFCB	
CN(C(=O)Cc1ccc(N)cc1)C1CCCCC1	22218278	HQJLKTGMZNFRJN-UHFFFAOYSA-N	246.354	2.602	10	40	BFCB	
CC[C@H](N=[N+]=[N-])C(=O)Nc1cccc(OC)c1	101353353	ABRDMOVLRFYGDD-JTQLQIEISA-N	234.259	2.723	10	40	BFCB	
Nc1ccc(N2CCN=C2c2ccccc2)cc1	11847806	OKEODZJBLWCDTP-UHFFFAOYSA-N	237.306	2.536	10	40	BFCB	
Cc1ccc2c(c1C)N[C@H](C(=O)O)[C@H]1CC=C[C@@H]21	12467373	UORZCPZFZNBVDZ-SUNKGSAMSA-N	243.306	2.842	10	40	BFCB	biogenic
CN(C)c1ccc(-c2nc3cnccc3o2)cc1	216880318	XTGHIUBCXHYOQQ-UHFFFAOYSA-N	239.278	2.956	10	40	BFCB	
Nc1ccc(NC(=O)Nc2ccccc2)cc1	1732357	OISZIRHDSSOUKW-UHFFFAOYSA-N	227.267	2.913	10	40	BFCB	in-vitro
COc1cccc(COc2ccc(N)cc2)c1	19273660	ARRVSHHVHZSHQY-UHFFFAOYSA-N	229.279	2.856	10	40	BFCB	
CCOC(=O)c1ccc(N/N=N/CCF)cc1	17127209	GILSAXLEWUDWQF-UHFFFAOYSA-N	239.250	2.612	10	40	BFCB	
COc1ccc(/N=N\c2ccc(N)nc2N)cc1	100366151	ZYFQLPWMMMZNRY-MSUUIHNZSA-N	243.270	2.670	10	40	BFCB	
CCOC(=O)[C@@H](Sc1nccs1)C(C)C	150978998	XUURHESQZWYPEY-QMMMGPOBSA-N	245.369	2.823	10	40	BFCB	
Oc1ccccc1CNCc1ccc(F)s1	256050691	GDQGKVUIFBPQAM-UHFFFAOYSA-N	237.299	2.883	10	40	BFCB	
CC1(C)CC(=O)[C@H]2CNc3ccccc3N[C@H]2C1	20095861	IHOWSQBIIVNUPJ-GWCFXTLKSA-N	244.338	2.898	10	40	BFCB	
Nc1ccc(Nc2ccccc2C(=O)O)cc1	1688663	UQBGXJCUJOULGZ-UHFFFAOYSA-N	228.251	2.711	10	40	BFCB	
CCC(=O)Nc1ccc(/N=N/N(C)C)cc1	17045428	SFVATGHXWOFZOT-BUHFOSPRSA-N	220.276	2.595	10	40	BFCB	
Cc1ccc(-n2c(C)ccc2C)cc1N	9239663	MBMCDTHUOFTHRR-UHFFFAOYSA-N	200.285	2.985	10	40	BFCB	in-vitro
CCOC(=O)CCCC[C@H](C)/N=N/C	16923039	OXMHZKLTZKFIIF-QZOQKNACSA-N	200.282	2.580	10	40	BFCB	
C[C@]12CCCCC1=N[C@H](c1ccccc1O)N2O	20436844	UWCCUTIEUFYZSD-KBPBESRZSA-N	246.310	2.869	10	40	BFCB	
Nc1ccc(NC(=O)/C=C/c2ccco2)cc1	63063508	LOPWNJHYPWQUGT-BQYQJAHWSA-N	228.251	2.514	10	40	BFCB	
CCN(CC)CCn1ccc2cc(N)ccc21	36949992	MTSAYXKCMXEULK-UHFFFAOYSA-N	231.343	2.565	10	40	BFCB	in-vitro
COc1ccc(COc2ccc(N)cc2)cc1	9239362	QTJVWDMAQMKQAR-UHFFFAOYSA-N	229.279	2.856	10	40	BFCB	in-vitro
CSC1=NC(=O)/C(=C/c2ccco2)S1	5720575	JDKMHZDQRADBLZ-ALCCZGGFSA-N	225.294	2.613	10	40	BFCB	
COc1ccc(N2[C@@H](C)CC[C@@H]2C)c(N)c1	8703846	JBSKFSZPSJOLHU-UWVGGRQHSA-N	220.316	2.655	10	40	BFCB	
C[C@H]1C[C@H](C)CN(CCOc2ccc(N)cc2)C1	8703256	UQBCWNFSFGRHHS-STQMWFEESA-N	248.370	2.626	10	40	BFCB	
C[C@H]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1	20154973	DJTLYAVJQRKFJR-SMDDNHRTSA-N	246.354	2.506	10	40	BFCB	
O=C1NC(=S)[C@H](/N=N/c2ccccc2)S1	4159212	ZGNUYSVFNMQXIB-MDBUJETNSA-N	237.309	2.880	10	40	BFCB	
[N-]=[N+]=NCc1nc(-c2ccsc2)no1	42390738	BHNWJISAPJGJJI-UHFFFAOYSA-N	207.218	2.608	10	40	BFCB	
Oc1ccc(Cl)cc1CNCc1ccco1	4700398	VVEGPKWEXYDYTF-UHFFFAOYSA-N	237.686	2.928	10	40	BFCB	
COC(=O)c1sc(SC(F)F)cc1O	96510939	XHJXFIVDJRMWHZ-UHFFFAOYSA-N	240.252	2.555	10	40	BFCB	
CN1CCCC[C@@H]1CCOc1ccc(N)cc1	9239371	PDNZRWSULLVICQ-CYBMUJFWSA-N	234.343	2.522	10	40	BFCB	
COc1cccc(NCc2cccc(F)c2O)n1	83378232	COPMXSUDURXLKN-UHFFFAOYSA-N	248.257	2.547	10	40	BFCB	
COc1ccccc1C(=O)C(=O)c1ccccc1	1919977	GMYGJQQKISOIHH-UHFFFAOYSA-N	240.258	2.761	10	40	BFCB	biogenic
CCc1ccc(/C=C/c2cc[nH]c2)[n+](C)c1	4656156	GFERYUDVJDMIDQ-UHFFFAOYSA-O	213.304	2.572	10	40	BFCB	
O=C1N=C(S)S/C1=C/C=C/c1ccco1	12407491	POXDJVWANDRZTL-JOEIGAFWSA-N	237.305	2.736	10	40	BFCB	
Nc1ccc(CC[C@H](O)c2ccccc2)cc1	39224857	OVGFAPZFIPZNPL-HNNXBMFYSA-N	227.307	2.935	10	40	BFCB	in-vitro
CN(C)c1ccc(CNC(=O)C2CCCC2)cc1	8170801	YQGFDRAGKJXVHL-UHFFFAOYSA-N	246.354	2.559	10	40	BFCB	
Nc1ncc(/N=N\c2ccc(Cl)cc2)c(O)n1	104071231	CRDPTOQANBTBRT-NXVVXOECSA-N	249.661	2.833	10	40	BFCB	
C[C@H]1CCCCN1Cc1ccc(N)cc1	818935	AJNSSUGFLMSCJD-NSHDSACASA-N	204.317	2.643	10	40	BFCB	in-vitro
COC(=O)C1=C(C)Nc2ccc(C)cc2S1	2484705	OBDZJZFSLSGMJM-UHFFFAOYSA-N	235.308	2.917	10	40	BFCB	
Cc1ccc(C)n1-c1cccc(CN)c1	38074598	XVYAFKLHAMLXEP-UHFFFAOYSA-N	200.285	2.553	10	40	BFCB	
Nc1ccc(CC[C@@H](O)c2ccccc2)cc1	39224856	OVGFAPZFIPZNPL-OAHLLOKOSA-N	227.307	2.935	10	40	BFCB	in-vitro
COc1ccc(N(C)C2CCC2)cc1OC	228912658	IPBZJECHQFXJDR-UHFFFAOYSA-N	221.300	2.693	10	40	BFCB	
CCOC(=O)[C@H](CC)Sc1nccs1	82760873	NYYZTNVFSDJPFG-ZETCQYMHSA-N	231.342	2.577	10	40	BFCB	
CCc1ccccc1N1C(=O)CSC1=S	3119239	QWVSJQOXSIUGQK-UHFFFAOYSA-N	237.349	2.614	10	40	BFCB	
COc1ccc(N2C[C@@H](C)C[C@@H](C)C2)c(N)c1	213360451	VKJFGWQLMLYRLD-PHIMTYICSA-N	234.343	2.760	10	40	BFCB	
Oc1ccccc1CN1CCCCCC1	4672654	XZDFNUXKMYALTN-UHFFFAOYSA-N	205.301	2.768	10	40	BFCB	
CCCN(C)/N=N\c1ccccc1C(=O)O	104151055	ZMEOAYBTLXINRY-SEYXRHQNSA-N	221.260	2.725	10	40	BFCB	
Cc1n[nH]c(O)c1/N=N\c1ccccc1	102422755	PKCVNITZGQCHCV-SEYXRHQNSA-N	202.217	2.839	10	40	BFCB	
CC(C)c1ncc(Oc2ccc(N)cc2)cn1	96528193	MYIJXCKATJSWPQ-UHFFFAOYSA-N	229.283	2.975	10	40	BFCB	
Cc1ccc2c(c1C)O[C@@H](CN=[N+]=[N-])C2	218734875	DUUJCGRJLZSTJM-SNVBAGLBSA-N	203.245	2.917	10	40	BFCB	
NCc1ccc(N2CCCCCC2)cc1	11757268	JJGPICFMSWPTKJ-UHFFFAOYSA-N	204.317	2.526	10	40	BFCB	
CCCc1noc(CSc2nccs2)n1	64661840	BBJYUGWFGLALMI-UHFFFAOYSA-N	241.341	2.771	10	40	BFCB	
CCCn1cc(NCc2ccccc2O)cn1	121736740	BCFYDYVLDFJOGG-UHFFFAOYSA-N	231.299	2.611	10	40	BFCB	
O=C1NC(=S)/C(=C/c2ccccc2F)S1	1217744	FSHHQNXYNQINPA-YVMONPNESA-N	239.296	2.950	10	40	BFCB	
COc1ccc(/N=N/c2nc[nH]c2[N+](=O)[O-])cc1	4476840	QXEILIULZDNMOJ-BUHFOSPRSA-N	247.214	2.742	10	40	BFCB	
CN(C)c1ccc(C2N=NC(=S)N=N2)cc1	27027787	HJBZEGLHAMQLMB-UHFFFAOYSA-N	233.300	2.954	10	40	BFCB	
O=CNc1ccc(Nc2ccccc2)cc1	1685771	RCIZCWIFMOUYTC-UHFFFAOYSA-N	212.252	2.999	10	40	BFCB	
CC1=C(C(=O)O)Sc2ccccc2N1	6859231	QBOAXNTVRRLPPN-UHFFFAOYSA-N	207.254	2.520	10	40	BFCB	
COC(=O)c1sc(SC(C)C)cc1O	96510935	NMBDGBHMHDKYMS-UHFFFAOYSA-N	232.326	2.741	10	40	BFCB	
COc1ccccc1-n1c(C)cc(CO)c1C	32016078	HRVLGIXGLGLWAT-UHFFFAOYSA-N	231.295	2.595	10	40	BFCB	
COC[C@H](NCc1ccc(OC)c(C)c1)C1CC1	97228332	HDLCQKDJDFNMBR-AWEZNQCLSA-N	249.354	2.518	10	40	BFCB	
c1csc(Sc2ccc3nccnc3n2)n1	95395444	FHWSDFASBRXXQS-UHFFFAOYSA-N	246.320	2.633	10	40	BFCB	
COc1ccc(/N=N/c2ncc[nH]2)cc1	18192349	GHJIVLLAXYDUGK-BUHFOSPRSA-N	202.217	2.834	10	40	BFCB	
Nc1ccc(OCC(F)(F)C(F)(F)F)cc1	72265906	HHOXHHOUCGUCBJ-UHFFFAOYSA-N	241.159	2.845	10	40	BFCB	
Nc1ccc(CC(=O)Nc2cccc(F)c2)cc1	20185838	STJPTSUUWOIWDR-UHFFFAOYSA-N	244.269	2.589	10	40	BFCB	
CN(C)/N=N\c1ccc([N+](=O)[O-])cc1Cl	100374455	PEFSNGPKTIRLJO-KHPPLWFESA-N	228.639	2.809	10	40	BFCB	
COC(=O)c1sc2nc(C3CC3)ccc2c1N	29753850	BUZITZFAAWUPQT-UHFFFAOYSA-N	248.307	2.543	10	40	BFCB	
CN(C)CCC1(c2ccc(O)c(O)c2)CCCC1	379341	COLMUKZUAQOADV-UHFFFAOYSA-N	249.354	2.861	10	40	BFCB	
O=C1c2ccccc2C(=O)c2c(S)cccc21	4783233	YHCIQYSVFONICB-UHFFFAOYSA-N	240.283	2.751	10	40	BFCB	
Cc1cccc(C(=O)c2ccsc2N)c1	415524	NUQNKXBAFRAHAL-UHFFFAOYSA-N	217.293	2.870	10	40	BFCB	
CCCCCC(=O)c1ccc(O)c(O)c1	2573085	DNOLRRKUMHGWAC-UHFFFAOYSA-N	208.257	2.861	10	40	BFCB	
CC(C)(C)NCc1cc(Cl)ccc1O	21956324	KDCWIDUSACNKIF-UHFFFAOYSA-N	213.708	2.934	10	40	BFCB	
Cc1ccccc1-n1c(C)cc(CO)c1C	32013073	VRKVRHMBEMTKHB-UHFFFAOYSA-N	215.296	2.895	10	40	BFCB	
Oc1cc(Cl)cc(Br)c1O	91297208	CZDVOQBFSGTTEI-UHFFFAOYSA-N	223.453	2.514	10	40	BFCB	
CC/C=C(\C)C(=O)NCc1ccc(N(C)C)cc1	46041785	OIUVNUCLCPQRMF-WUXMJOGZSA-N	246.354	2.725	10	40	BFCB	
CCc1ccc(CCN)n1Cc1ccccc1	78405727	XYQQRPYDFAAHEN-UHFFFAOYSA-N	228.339	2.600	10	40	BFCB	
Cc1[nH]nc(N)c1/N=N/c1ccccc1	100190130	IFZMLVRAMWGWPQ-BUHFOSPRSA-N	201.233	2.716	10	40	BFCB	
Cc1ccccc1/C=C1\SC(=S)N(C)C1=O	12407068	IUQSEAWMZCUHDN-YFHOEESVSA-N	249.360	2.826	10	40	BFCB	
Nc1ccc(N2CCN=C2c2cccs2)cc1	11847810	UTBPFNLMCJXQEC-UHFFFAOYSA-N	243.335	2.597	10	40	BFCB	
CN(C)/N=N/c1c(F)cc(F)c(F)c1F	18097577	FHJITNPAJJZKHV-BUHFOSPRSA-N	221.157	2.803	10	40	BFCB	
CCC(C)(C)NC(=O)CSc1nccs1	60741346	CLZMKMPXXCSQHO-UHFFFAOYSA-N	244.385	2.540	10	40	BFCB	
Oc1ccc(/C=C/c2ccc(O)c(O)c2)cc1O	1646740	DZYRGJKHEGXOCR-OWOJBTEDSA-N	244.246	2.679	10	40	BFCB	biogenic,in-vitro
Cc1cccc(CN2C[C@@H](CN=[N+]=[N-])CC2=O)c1	1889007125	WJTLBEZSHMTOJT-GFCCVEGCSA-N	244.298	2.654	10	40	BFCB	
CN1C(=O)/C(=C/c2ccsc2)SC1=S	1059583	IQNKLDAUEWGKLV-DAXSKMNVSA-N	241.362	2.579	10	40	BFCB	
Cc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1	12341793	SAFXQIFSQCIXGO-YFHOEESVSA-N	249.360	2.826	10	40	BFCB	
CC(C)(C)OC(=O)NC[C@H](CN=[N+]=[N-])N=[N+]=[N-]	34541048	JQCNNYTWXOUCDB-ZCFIWIBFSA-N	241.255	2.500	10	40	BFCB	in-vitro
Cc1cc(C)c2c(c1)CC(C)(C)C(=O)C2=O	2144628	VMBYPSXFGMSMNS-UHFFFAOYSA-N	216.280	2.638	10	40	BFCB	biogenic
CCN(CC)/N=N\c1ccc(C(=O)O)cc1	100321694	ABDRFEKKVMHBGW-SEYXRHQNSA-N	221.260	2.725	10	40	BFCB	
CSc1ncc(-c2ccccc2)n1C	8793574	LSLHTSZRWOOYPM-UHFFFAOYSA-N	204.298	2.809	10	40	BFCB	
Cc1ccc(C)n1-c1cc([N+](=O)[O-])ccc1O	5337684	RITBOUIUXIOUFC-UHFFFAOYSA-N	232.239	2.708	10	40	BFCB	
O=C1C(=O)c2sccc2-c2ccsc21	28863348	MOUQKENTDKBOQJ-UHFFFAOYSA-N	220.274	2.856	10	40	BFCB	in-vivo
CSc1cccc(NC(=O)CN=[N+]=[N-])c1	102917915	PITQOLKIWAUGNX-UHFFFAOYSA-N	222.273	2.657	10	40	BFCB	
O=[N+]([O-])/C=C\c1ccc(N2CCCC2)c(F)c1	4537619	OWWJCOWRPZOEHI-YVMONPNESA-N	236.246	2.673	10	40	BFCB	
COC(=O)c1sc(SC)c(Cl)c1O	51943294	CGDCDNALBHZWNI-UHFFFAOYSA-N	238.717	2.616	10	40	BFCB	
CC(=O)c1ccnc(Oc2ccc(N)cc2)c1	1565504668	YTCDKHZJJHCLME-UHFFFAOYSA-N	228.251	2.659	10	40	BFCB	
CSc1scc[n+]1-c1ccccc1	2525031	TXGQQAWUPUXKOK-UHFFFAOYSA-N	208.331	2.747	10	40	BFCB	
O=C(O)c1sc2cc(Cl)ccc2c1O	84722623	HYDDMVANLIFXSD-UHFFFAOYSA-N	228.656	2.959	10	40	BFCB	
C[Si](N=[N+]=[N-])(c1ccccc1)c1ccccc1	195764707	HVSBVAAIVOOUMH-UHFFFAOYSA-N	239.354	2.686	10	40	BFCB	
Nc1ccc(OCCCC(F)(F)F)cc1	96509102	VMUBOAKABIACFY-UHFFFAOYSA-N	219.206	2.990	10	40	BFCB	
Nc1ccc(N2Cc3ccccc3C2)cc1	303094	YVUKIEXSNWTCRL-UHFFFAOYSA-N	210.280	2.789	10	40	BFCB	in-vitro
CN(/N=N\c1ccc(C(N)=O)cc1)C(C)(C)C	100390887	RSUSQJVKCMVSIG-PFONDFGASA-N	234.303	2.515	10	40	BFCB	
COc1ccc(/N=N/N2CCCC2)cc1	1651059	MUGWKDATFDQVFX-OUKQBFOZSA-N	205.261	2.790	10	40	BFCB	
CC1(C)[C@@]2(C)CC[C@]1(c1ccccc1)C(=O)C2=O	85398829	RYYIJDCHFWBGBT-HOTGVXAUSA-N	242.318	2.903	10	40	BFCB	
Cc1ccc(C)c(/N=N/c2c(N)o[nH]c2=O)c1	5541953	GEXJRCZBHBOLOJ-BUHFOSPRSA-N	232.243	2.582	10	40	BFCB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cc1ccc(N)cc1	20154946	DFACIZIGYIXHIS-TXEJJXNPSA-N	246.354	2.601	10	40	BFCB	
COc1cccc(-n2c(C)cc(C(=O)O)c2C)c1	20282193	QDOWJCCLKPGBJG-UHFFFAOYSA-N	245.278	2.801	10	40	BFCB	
Nc1ccc(N2CCc3ccccc32)cc1	20351827	NIAZCPBPDHIJEX-UHFFFAOYSA-N	210.280	2.963	10	40	BFCB	
COc1ccc(-n2c(C)ccc2C)c(C(=O)O)c1	5589204	VYLODQQNEVVFJU-UHFFFAOYSA-N	245.278	2.801	10	40	BFCB	
[N-]=[N+]=NCC(=O)Nc1ccc(Cl)cc1F	100035871	PXKMYCNPZGGXDD-UHFFFAOYSA-N	228.614	2.728	10	40	BFCB	
CC(C)n1nccc1NCc1ccccc1O	256051256	IKXRGSIJFHRHQD-UHFFFAOYSA-N	231.299	2.782	10	40	BFCB	
COC(=O)Cc1ccc(-n2c(C)ccc2C)cc1	8733452	LEYWDPJCJSBJOK-UHFFFAOYSA-N	243.306	2.810	10	40	BFCB	
Cc1cccc(C)c1N1C(=O)CSC1=S	6207588	JQRTZAYDWXGENM-UHFFFAOYSA-N	237.349	2.668	10	40	BFCB	
O=C1NC(=S)[C@@H](/N=N/c2ccccc2)S1	4159211	ZGNUYSVFNMQXIB-BVKVCPRXSA-N	237.309	2.880	10	40	BFCB	
COc1ccc(N2[C@@H](C)CC[C@H]2C)cc1C(=O)O	8703817	IOJQHOVVGIQZTH-AOOOYVTPSA-N	249.310	2.771	10	40	BFCB	
OCCNc1c2ccccc2nc2ccccc12	4854974	FGDNLOYCZDEEQP-UHFFFAOYSA-N	238.290	2.792	10	40	BFCB	
Nc1ccc(OCCOCc2ccccc2)cc1	36671669	HPKUBPCWVCRYRD-UHFFFAOYSA-N	243.306	2.864	10	40	BFCB	
Cc1cc(C)cc(N2C(=O)CSC2=S)c1	1045231	FQCYDVZZKIGBOF-UHFFFAOYSA-N	237.349	2.668	10	40	BFCB	
CCCc1ccc(CO)n1Cc1ccccc1	226026120	HCVUPYRQYTVHJE-UHFFFAOYSA-N	229.323	2.981	10	40	BFCB	
CC(C)C(=O)NCc1ccc(N2CCCC2)cc1	49740423	ZQKBFYPWEZAWEU-UHFFFAOYSA-N	246.354	2.559	10	40	BFCB	
COc1cccc(CNc2cccnc2C)c1O	91495406	AWUBWEARDHIFCK-UHFFFAOYSA-N	244.294	2.716	10	40	BFCB	
CCCN1CCCc2cc(CNC)ccc21	846376	GSNMWFIWSGPSCG-UHFFFAOYSA-N	218.344	2.569	10	40	BFCB	
Cc1cc(C)c2c(c1)C[C@@H](CN=[N+]=[N-])O2	218735036	CCGBYJGPRPSHQR-JTQLQIEISA-N	203.245	2.917	10	40	BFCB	
[N-]=[N+]=NC[C@H]1Cc2cccc(Cl)c2O1	218735690	VISCHSCTEBELPO-SSDOTTSWSA-N	209.636	2.954	10	40	BFCB	
CC(C)(C)OC(=O)N1CC[C@H](CN=[N+]=[N-])C1	38221581	AQMRWLAIZUYEIP-MRVPVSSYSA-N	226.280	2.554	10	40	BFCB	in-vitro
Cc1cccc2c1C(=O)c1ccccc1C2=O	5699366	RBGUKBSLNOTVCD-UHFFFAOYSA-N	222.243	2.770	10	40	BFCB	biogenic
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1	72216804	QSIDWRXFNHFFIV-AWEZNQCLSA-N	241.338	2.914	10	40	BFCB	
COc1ccccc1NC(=S)c1ccccn1	495316	OREJNXOEQZSRSB-UHFFFAOYSA-N	244.319	2.878	10	40	BFCB	
Cc1ccc2c(c1C)N[C@@H](C(=O)O)[C@H]1CC=C[C@H]21	3999496	UORZCPZFZNBVDZ-COPLHBTASA-N	243.306	2.842	10	40	BFCB	
Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)cc1C	40161115	CRRXWCIQLGBUMC-BETUJISGSA-N	249.354	2.618	10	40	BFCB	
C[C@H]1CCC[C@H](C)N1C(=O)Cc1ccc(N)cc1	20154949	DFACIZIGYIXHIS-RYUDHWBXSA-N	246.354	2.601	10	40	BFCB	
Oc1cccc(Cc2ccccc2)c1O	39096172	PIZHUNHHRDTULA-UHFFFAOYSA-N	200.237	2.689	10	40	BFCB	
CC(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1	60678553	BBTBVQKKUPKOBT-UHFFFAOYSA-N	248.370	2.757	10	40	BFCB	
C[C@H](c1ccccc1)N1C(=O)CSC1=S	1041672	KQSHNYSKESUNOZ-MRVPVSSYSA-N	237.349	2.608	10	40	BFCB	
Nc1ccc(CC(=O)Oc2cccc(F)c2)cc1	225395665	IVOXNQUHXFBILE-UHFFFAOYSA-N	245.253	2.556	10	40	BFCB	
CC(C)O[P@](C)(=O)Oc1ccc(N)cc1	5260933	KKEPDYFUPQUYOI-HNNXBMFYSA-N	229.216	2.896	10	40	BFCB	
Cc1cc(CN)c(C)n1-c1cccc(F)c1	34936137	UCJWJLCPJHJSSV-UHFFFAOYSA-N	218.275	2.692	10	40	BFCB	
CC1CCC(NC(=O)c2cc(O)cs2)CC1	101044148	VGSGEWQZQBROGZ-UHFFFAOYSA-N	239.340	2.762	10	40	BFCB	
CCc1cccc2c1N[C@H](C(=O)O)[C@H]1CC=C[C@H]21	6871077	YBYRARMSNPLHJJ-OSMZGAPFSA-N	243.306	2.787	10	40	BFCB	
CNCc1cc(C)n(-c2ccccc2)c1C	36923359	GACAYHPMVNHLIB-UHFFFAOYSA-N	214.312	2.814	10	40	BFCB	
CN(C)/N=N\c1c(F)c(F)cc(F)c1F	104190129	HHDTWPQINWUXAX-YPKPFQOOSA-N	221.157	2.803	10	40	BFCB	
Cc1cn(-c2ccc(N)cc2)nc1C(F)F	575441537	AJPZBRNIKFVGDH-UHFFFAOYSA-N	223.226	2.701	10	40	BFCB	
CCn1cc(NCc2ccc(N(C)C)cc2)cn1	20351736	DJPWCJQQCZZCHI-UHFFFAOYSA-N	244.342	2.581	10	40	BFCB	
Oc1ccccc1[C@@H]1CC(c2cccs2)=NN1	3866567	AVJNYXCUWZQCSR-JTQLQIEISA-N	244.319	2.892	10	40	BFCB	
CCOc1cccc(CNCC(C)C)c1O	19883063	QEKUIJRAGCDLED-UHFFFAOYSA-N	223.316	2.537	10	40	BFCB	
Nc1ccc(Cc2cccc([N+](=O)[O-])c2)cc1	1556468	LUWUHSZXMUOBED-UHFFFAOYSA-N	228.251	2.768	10	40	BFCB	
C/C(=C1/SC(=S)NC1=O)c1ccccc1	5411661	NGQUBXTVJKYYRQ-CLFYSBASSA-N	235.333	2.566	10	40	BFCB	
Oc1ccc(/N=N\c2ccccn2)c(O)c1	12358850	RJNYNDHYSJRRDW-YPKPFQOOSA-N	215.212	2.908	10	40	BFCB	
S=Cc1c2n(c3ccccc13)CCCN2	3160834	IDMJRUZLYXUYAU-UHFFFAOYSA-N	216.309	2.805	10	40	BFCB	
Nc1ccc(NC(=O)Oc2ccccc2)cc1	32628405	OCJWATZWCACOIS-UHFFFAOYSA-N	228.251	2.880	10	40	BFCB	in-vitro
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CN=[N+]=[N-]	96379350	JILQIELFYMAFFC-BDAKNGLRSA-N	240.307	2.990	10	40	BFCB	
Oc1ccccc1C/N=N/Nc1ccccn1	199707714	SXJSTUGKJDFEQX-UHFFFAOYSA-N	228.255	2.767	10	40	BFCB	
O=C1c2ccccc2C(=O)c2c(F)cccc21	3896044	QFDHYBLCHGMWDI-UHFFFAOYSA-N	226.206	2.601	10	40	BFCB	
COc1ccc(N2CCCCC2)c([N+](=O)[O-])c1	4347794	OHWSYSZNEZOCDL-UHFFFAOYSA-N	236.271	2.594	10	40	BFCB	
CCCCN(C)/N=N\c1ccccc1C(N)=O	100315457	PRSZZFJFOGDPCM-PFONDFGASA-N	234.303	2.516	10	40	BFCB	
COc1ccc(N2CCCC[C@H]2C)c(N)c1	57363449	LEBURWNLOQEDFN-SNVBAGLBSA-N	220.316	2.656	10	40	BFCB	
[N-]=[N+]=NCC(=O)Nc1ccccc1C(F)(F)F	100035920	QAMUJVOUBDZDAI-UHFFFAOYSA-N	244.176	2.954	10	40	BFCB	
Nc1ccc(Oc2ccccc2[N+](=O)[O-])cc1	38056394	SCSSZBJTJDYKEE-UHFFFAOYSA-N	230.223	2.969	10	40	BFCB	
Cc1cc(C)c(S(=O)(=O)N=[N+]=[N-])c(C)c1	5004625	WMJOJJCGTXFZJG-UHFFFAOYSA-N	225.273	2.611	10	40	BFCB	
Nc1ccc(CC(=O)Oc2ccccc2F)cc1	225395605	UATPLNAMLRLLFC-UHFFFAOYSA-N	245.253	2.556	10	40	BFCB	
C[C@H](NCc1cccnc1)c1ccccc1O	20140781	HZVZGXOBCLOUQU-NSHDSACASA-N	228.295	2.638	10	40	BFCB	
Cc1ccc(/N=N/N2CCC[C@H]2C(=O)O)cc1	25173138	KQBLRGKTFXLQEW-JKJHPVACSA-N	233.271	2.543	10	40	BFCB	
Nc1ccc(Nc2ccc(O)cc2)cc1	8418890	IAEZKKZBDLMWGN-UHFFFAOYSA-N	200.241	2.718	10	40	BFCB	
Cc1ccccc1-[n+]1cc2ccccc2c(O)n1	19872703	XRWIFODGQONKTK-UHFFFAOYSA-O	237.282	2.526	10	40	BFCB	
Cc1cc(C)c(O)c(CN2CCCCC2)c1	1621771	FOIAJFYKIVQLFT-UHFFFAOYSA-N	219.328	2.995	10	40	BFCB	
CCN(CC)c1ccc(/C=C\C(=O)O)cc1	90449976	DOERLUCWEUSMIF-YFHOEESVSA-N	219.284	2.631	10	40	BFCB	
Cc1ccc(C)n1-c1ccc(CN)cc1	36379808	YPQARZHQFAOIQG-UHFFFAOYSA-N	200.285	2.553	10	40	BFCB	
CN(C)c1ccc(CNC(=O)CC(C)(C)C)cc1	18215125	AOHBRYVELXKQDO-UHFFFAOYSA-N	248.370	2.805	10	40	BFCB	
NCc1ccc(Oc2ccc(N)cc2)cc1	71478435	SAORQTWFXWLIFA-UHFFFAOYSA-N	214.268	2.520	10	40	BFCB	
Cn1nc(C2CC2)cc1NCc1ccccc1O	256049755	BHLNSCHTZPZMEI-UHFFFAOYSA-N	243.310	2.615	10	40	BFCB	
[N-]=[N+]=NCc1noc(-c2ccccc2)n1	5604590	GMUMTUBAZGUETM-UHFFFAOYSA-N	201.189	2.547	10	40	BFCB	
Cc1csc(Nc2ccc(N)cc2)n1	19486320	QQTIBNSKYMVQSQ-UHFFFAOYSA-N	205.286	2.777	10	40	BFCB	in-vitro
Nc1ccc(/N=N/c2ccccc2O)c(N)c1	13119158	BMTKGYFAPSWLDE-FOCLMDBBSA-N	228.255	2.972	10	40	BFCB	
NCCN1c2ccccc2Oc2ccccc21	85385224	OGPWDGWKNZJNLX-UHFFFAOYSA-N	226.279	2.889	10	40	BFCB	
CCOC(=O)[C@H](Sc1nccs1)C(C)C	150978951	XUURHESQZWYPEY-MRVPVSSYSA-N	245.369	2.823	10	40	BFCB	
Cc1[nH]nc(O)c1/N=N/c1ccccc1	18082946	PKCVNITZGQCHCV-OUKQBFOZSA-N	202.217	2.839	10	40	BFCB	
Cc1cc(C)c2c(c1O)[C@H](N)C(C)(C)C2	3801000	SILOGAPAAPBBCQ-LBPRGKRZSA-N	205.301	2.591	10	40	BFCB	
CC1CCC(NC(=O)Cc2ccc(N)cc2)CC1	20154971	VENYLXPLDHTGOK-UHFFFAOYSA-N	246.354	2.506	10	40	BFCB	
O=C(O)c1ccccc1/N=N/c1ncc[nH]1	5531318	XRAAVRBABUXMLA-BUHFOSPRSA-N	216.200	2.523	10	40	BFCB	
O=[S@@](c1ccccc1)c1ccc(/N=N/O)nc1	5615058	PUJLYIOWHPMSEL-QGZVFWFLSA-N	247.279	2.721	10	40	BFCB	
Oc1ccccc1CNc1ccc2c(c1)OCO2	9338777	QCGXHTPXYBLLOW-UHFFFAOYSA-N	243.262	2.733	10	40	BFCB	
CC1=NO[C@H](c2ccccc2O)N(C)C1(C)C	19831263	FTFVBRGOXRXKPU-GFCCVEGCSA-N	234.299	2.507	10	40	BFCB	
CCOP(=O)(CCN=[N+]=[N-])OCC	90475497	LQFFSRLJBGEQKT-UHFFFAOYSA-N	207.170	2.563	10	40	BFCB	in-vitro
CCOc1ccc(/N=N/N(C)C)c([N+](=O)[O-])c1	4673115	DNJJLFZWVABQHJ-VAWYXSNFSA-N	238.247	2.554	10	40	BFCB	
O=[N+]([O-])c1ccc(Sc2nccs2)nc1	48894116	BDYNZZSJXSTWDB-UHFFFAOYSA-N	239.281	2.598	10	40	BFCB	
C/C(=C1\SC(=S)NC1=O)c1ccccc1	1700966	NGQUBXTVJKYYRQ-VQHVLOKHSA-N	235.333	2.566	10	40	BFCB	
CC(C)O[P@@](C)(=O)Oc1ccc(N)cc1	5260934	KKEPDYFUPQUYOI-OAHLLOKOSA-N	229.216	2.896	10	40	BFCB	
CN(C)c1ccc(/C=C/C2=NCCS2)cc1	3070020	MWLWCKRPYDEXMN-VMPITWQZSA-N	232.352	2.911	10	40	BFCB	
CN(c1ccc(N)cc1)c1ccc([N+](=O)[O-])cc1	4708717	MOBMMLPXRRUKSG-UHFFFAOYSA-N	243.266	2.945	10	40	BFCB	
CC(=O)c1ccc(O)c(CN2CCCCCC2)c1	20284675	FKIXZQZCCCURAH-UHFFFAOYSA-N	247.338	2.971	10	40	BFCB	
O[C@@]1(c2ccccc2)CSC2=[N+]1CCCCC2	3200620	DECYABRLPZFPJQ-CQSZACIVSA-N	248.371	2.564	10	40	BFCB	
C[C@@H](NCc1cccnc1)c1ccccc1O	20140778	HZVZGXOBCLOUQU-LLVKDONJSA-N	228.295	2.638	10	40	BFCB	
CC(=O)OC(C)(C)/N=N/CCc1ccccc1	100226068	KIDBMNBISLMIRK-CCEZHUSRSA-N	234.299	2.981	10	40	BFCB	
CCCCCC(=O)c1ccc(O)c(O)c1O	2567051	GXMUVYYUELEOSI-UHFFFAOYSA-N	224.256	2.566	10	40	BFCB	
COc1cccc(CN2CCCC[C@H]2C)c1O	131875794	OLVIOVDBKAUVJS-LLVKDONJSA-N	235.327	2.775	10	40	BFCB	
CN(C)c1ccc(CNc2nccs2)cc1	211079	ZADRURKVERBSNC-UHFFFAOYSA-N	233.340	2.821	10	40	BFCB	
CCCC(=O)N(C)Cc1ccc(N(C)C)cc1	60678647	NDJFYSRGGRUIEU-UHFFFAOYSA-N	234.343	2.511	10	40	BFCB	
CC[C@H](C)NCc1ccc(N(C)C)cc1	5823234	LFZQUASVCQIKLJ-NSHDSACASA-N	206.333	2.641	10	40	BFCB	
NCc1cccc(Oc2ccc(N)cc2)c1	202603061	CNEPNGNLZCESMV-UHFFFAOYSA-N	214.268	2.520	10	40	BFCB	
Oc1ccccc1CNCCc1ccccc1	1683217	YPHHNRQCFHGFFR-UHFFFAOYSA-N	227.307	2.725	10	40	BFCB	
CCC(=O)Nc1ccc(/N=N\N(C)C)cc1	104183443	SFVATGHXWOFZOT-YPKPFQOOSA-N	220.276	2.595	10	40	BFCB	
CC1=NN(c2cccc3ccccc23)C(=O)C1	262803	BTUGYRPOCOUJAE-UHFFFAOYSA-N	224.263	2.952	10	40	BFCB	
Nc1ccc(OCCOc2ccc(F)cc2)cc1	6678584	KNFNJDGLCVUSIA-UHFFFAOYSA-N	247.269	2.866	10	40	BFCB	
COc1cc(C)ccc1Oc1ccc(N)cn1	19277462	BEJOVMLJXBGSSQ-UHFFFAOYSA-N	230.267	2.773	10	40	BFCB	in-vitro
Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2)cn1	72216744	QOCMICCILPLGEN-AWEZNQCLSA-N	241.338	2.914	10	40	BFCB	
[N-]=[N+]=NCC(=O)c1cc2ccccc2o1	107339256	SVLNHPBCTQFFLO-UHFFFAOYSA-N	201.185	2.926	10	40	BFCB	
Cc1ccc(C)n1-c1ccc([C@@H](C)NN)cc1	199536639	NHTCQGKREIKAPT-GFCCVEGCSA-N	229.327	2.618	10	40	BFCB	
CCCn1cc(NCc2ccccc2O)c(C)n1	256053796	SXCUWQJUVOEKHW-UHFFFAOYSA-N	245.326	2.919	10	40	BFCB	
CCC(C)(C)C(=O)Nc1ccc(N)cc1	8703424	SNUWGKAFRUZYLL-UHFFFAOYSA-N	206.289	2.644	10	40	BFCB	
CCCCc1cc(=O)oc2cc(O)c(O)cc12	8764909	WJBWKTBZEDZSTF-UHFFFAOYSA-N	234.251	2.547	10	40	BFCB	biogenic
Cc1cc(/C=C\[N+](=O)[O-])c(C)n1-c1ccccn1	4478300	HODHSDXMGZFLOG-VURMDHGXSA-N	243.266	2.737	10	40	BFCB	
Oc1ccc(/N=N\c2nccs2)c(O)c1	95932532	SHNIKUXMZFPPCS-QXMHVHEDSA-N	221.241	2.970	10	40	BFCB	
COc1ccc2nc3ccccc3c(N)c2c1	4401017	MPQHRPVQJUEINF-UHFFFAOYSA-N	224.263	2.979	10	40	BFCB	
Nc1ccc(NC(=O)C2CCCCC2)cc1	330503	OSDOHKBVYCOAKP-UHFFFAOYSA-N	218.300	2.788	10	40	BFCB	
CC1=CC(c2ccccc2)=C[S@@](=O)(N(C)C)=C1	18165967	ZAJOGRSGMPYLJP-QGZVFWFLSA-N	247.363	2.551	10	40	BFCB	
CC(C)(C)c1cc(O)c(O)c(CN2CCCC2)c1	9737402	RIBNSXIDRSRKHB-UHFFFAOYSA-N	249.354	2.991	10	40	BFCB	
Nc1sccc1C(=O)c1cccc(F)c1	415533	CSIGZQACQYAHMZ-UHFFFAOYSA-N	221.256	2.700	10	40	BFCB	
COC(=O)c1ccc(/N=N\N(C)CN=[N+]=[N-])cc1	104266288	RQIGGPRWZKMUEX-SQFISAMPSA-N	248.246	2.672	10	40	BFCB	
CCN1CCCC[C@H]1CCOc1ccc(N)cc1	9239377	RUPCADOONQYYTE-AWEZNQCLSA-N	248.370	2.912	10	40	BFCB	
CC(=O)c1ccc(/N=N\N2CCCC2)cc1	104317287	KGEHANXMOJGVLM-YPKPFQOOSA-N	217.272	2.984	10	40	BFCB	
C/C(O)=C/c1nc2cccnc2nc1/C=C(/C)O	100122249	BSWXEKYGDWZJMH-VRHVFUOLSA-N	243.266	2.862	10	40	BFCB	
Nc1ccc(-n2nncc2-c2ccccc2)cc1	275686	FKXSKUWASSDIAV-UHFFFAOYSA-N	236.278	2.517	10	40	BFCB	
O=[N+]([O-])c1ccc(/N=N/c2ncc[nH]2)cc1	5125890	HSQDXMYVPAIJNW-OUKQBFOZSA-N	217.188	2.733	10	40	BFCB	
Nc1ccc(Cc2ccc3c(c2)CCN3)cc1	47843897	KXMNPYKIVCLNIA-UHFFFAOYSA-N	224.307	2.828	10	40	BFCB	in-vitro
COc1cncc(-c2ccnc3c2ccn3C)c1	72143621	UVAITQKRYWAFSY-UHFFFAOYSA-N	239.278	2.644	10	40	BFCB	
CCc1ccc(CO)n1Cc1ccc(F)cc1	226022464	WUIQYBYVAOEWNE-UHFFFAOYSA-N	233.286	2.730	10	40	BFCB	
CN[C@H](Cc1ccccc1)c1ccccc1O	6481905	FCIFTQCRAKCSEV-CQSZACIVSA-N	227.307	2.895	10	40	BFCB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(N)=O)c1	32865797	LWAICLMDLIPTEG-UHFFFAOYSA-N	248.713	2.846	10	40	BFCB